smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ncc(OCc2ccccc2)c(C(=O)[O-])n1 ZINC000050362696 519877251 /nfs/dbraw/zinc/87/72/51/519877251.db2.gz LWIYRUKBJWCPBT-UHFFFAOYSA-N -1 0 272.304 2.877 50 0 CFAARM O=C([O-])/C=C/C(=O)Nc1ccc(SC(F)F)cc1 ZINC000004893798 534480572 /nfs/dbraw/zinc/48/05/72/534480572.db2.gz UJTWYFFPMVLPAB-AATRIKPKSA-N -1 0 273.260 2.581 50 0 CFAARM CCCc1occc1C(=O)NCc1ccc(C(=O)[O-])s1 ZINC000263213862 521607444 /nfs/dbraw/zinc/60/74/44/521607444.db2.gz NVKRUXSPMHZJDD-UHFFFAOYSA-N -1 0 293.344 2.922 50 0 CFAARM CC(C)(NC(=O)c1ccc(C(=O)[O-])s1)c1nccs1 ZINC000097017653 527283197 /nfs/dbraw/zinc/28/31/97/527283197.db2.gz JRNDOIDYSDLAKJ-UHFFFAOYSA-N -1 0 296.373 2.568 50 0 CFAARM O=C([O-])CC[C@H]1CCCCN1C(=O)/C=C/c1ccco1 ZINC000050921456 527598024 /nfs/dbraw/zinc/59/80/24/527598024.db2.gz SAWLTXKXQVEETA-ABZNLYFFSA-N -1 0 277.320 2.539 50 0 CFAARM CCCc1cc(=O)n2[n-]c(C)c(-c3ccccc3)c2n1 ZINC000017781478 528566256 /nfs/dbraw/zinc/56/62/56/528566256.db2.gz AZGBAQBGYSVSQV-UHFFFAOYSA-N -1 0 267.332 2.951 50 0 CFAARM COC1(CC(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCC1 ZINC000234626489 536605740 /nfs/dbraw/zinc/60/57/40/536605740.db2.gz ORWKIQJKWLIJHZ-UHFFFAOYSA-N -1 0 277.320 2.591 50 0 CFAARM CN(C(=O)[C@@H]1CC=CCC1)[C@@H](C(=O)[O-])c1ccccc1 ZINC000584908014 600598656 /nfs/dbraw/zinc/59/86/56/600598656.db2.gz DFBLSHAZNNDITO-ZIAGYGMSSA-N -1 0 273.332 2.627 50 0 CFAARM O=S(=O)([N-]C(=C(F)F)C(F)(F)F)c1ccccc1 ZINC000100300527 617767131 /nfs/dbraw/zinc/76/71/31/617767131.db2.gz IBCOACFMUBBMAI-UHFFFAOYSA-N -1 0 287.209 2.635 50 0 CFAARM Cc1cccc(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1Cl ZINC000263521897 620153599 /nfs/dbraw/zinc/15/35/99/620153599.db2.gz RILONNROCRSVRE-MNOVXSKESA-N -1 0 295.766 2.974 50 0 CFAARM C[C@@H](Cc1ccsc1)N(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000183813240 625543276 /nfs/dbraw/zinc/54/32/76/625543276.db2.gz YRJJROZOHQVZNW-VIFPVBQESA-N -1 0 293.344 2.743 50 0 CFAARM CC(C)(C)c1nc(NCc2ccco2)ncc1C(=O)[O-] ZINC000169751210 623143470 /nfs/dbraw/zinc/14/34/70/623143470.db2.gz RTZCYRIEXJWGNV-UHFFFAOYSA-N -1 0 275.308 2.677 50 0 CFAARM Cc1cc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cs1 ZINC000004750486 230369100 /nfs/dbraw/zinc/36/91/00/230369100.db2.gz OKYSZNZOQBAIMS-UHFFFAOYSA-N -1 0 275.329 2.936 50 0 CFAARM Cc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)c(C)c1 ZINC000005579217 230369658 /nfs/dbraw/zinc/36/96/58/230369658.db2.gz JJLWVAIDGQICGF-UHFFFAOYSA-N -1 0 291.376 2.511 50 0 CFAARM Cc1ccc(C)c(CSc2nnc(C)c(=O)[n-]2)c1 ZINC000017752043 230371890 /nfs/dbraw/zinc/37/18/90/230371890.db2.gz DABRWYAAHXXQGH-UHFFFAOYSA-N -1 0 261.350 2.795 50 0 CFAARM CCc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])o1 ZINC000095955626 185041572 /nfs/dbraw/zinc/04/15/72/185041572.db2.gz MBQXJTZHJIKBJQ-OAHLLOKOSA-N -1 0 299.326 2.666 50 0 CFAARM O=C([O-])c1ccc(CCC(=O)N2C[C@@H]3CC=CC[C@H]3C2)cc1 ZINC000095969764 185047565 /nfs/dbraw/zinc/04/75/65/185047565.db2.gz NDLXFJPJCHUEDV-HOTGVXAUSA-N -1 0 299.370 2.742 50 0 CFAARM O=C(CCc1ccsc1)N[C@@H]1CCCCC[C@@H]1C(=O)[O-] ZINC000095970328 185048760 /nfs/dbraw/zinc/04/87/60/185048760.db2.gz QFNUWPWZJVRQDR-QWHCGFSZSA-N -1 0 295.404 2.830 50 0 CFAARM Cc1cc(C(=O)NC2(CC(=O)[O-])CCC2)c(C)n1C1CC1 ZINC000095970279 185048822 /nfs/dbraw/zinc/04/88/22/185048822.db2.gz AQZUGUVAYYYOIJ-UHFFFAOYSA-N -1 0 290.363 2.567 50 0 CFAARM Cc1cc([N-]S(=O)(=O)C[C@@H](C)c2ccccc2)no1 ZINC000095995768 185060800 /nfs/dbraw/zinc/06/08/00/185060800.db2.gz FMVMVFGGIGAYBM-SNVBAGLBSA-N -1 0 280.349 2.528 50 0 CFAARM O=C([O-])[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000097001632 185150751 /nfs/dbraw/zinc/15/07/51/185150751.db2.gz STVSKEWOTVNITG-OAHLLOKOSA-N -1 0 294.310 2.724 50 0 CFAARM CC(C)(C(=O)[O-])c1ccc(NC(=O)c2ccco2)cc1 ZINC000097014488 185152124 /nfs/dbraw/zinc/15/21/24/185152124.db2.gz BJJMNQPBJOJSNG-UHFFFAOYSA-N -1 0 273.288 2.894 50 0 CFAARM Cc1ccccc1C[C@H](CNC(=O)C1CCCC1)C(=O)[O-] ZINC000097018803 185152513 /nfs/dbraw/zinc/15/25/13/185152513.db2.gz YPVURZPGWKEEEC-OAHLLOKOSA-N -1 0 289.375 2.545 50 0 CFAARM O=C([O-])CCc1ccc(NC(=O)/C=C/c2ccco2)cc1 ZINC000097018913 185153231 /nfs/dbraw/zinc/15/32/31/185153231.db2.gz CHISGQBVHYXHLH-CMDGGOBGSA-N -1 0 285.299 2.949 50 0 CFAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(CCC(=O)[O-])C(C)C ZINC000097035595 185166064 /nfs/dbraw/zinc/16/60/64/185166064.db2.gz OISZDLDASOWKLJ-NEPJUHHUSA-N -1 0 295.404 2.872 50 0 CFAARM CCCCC[C@H](NC(=O)c1ccsc1)C(=O)[O-] ZINC000097036378 185166194 /nfs/dbraw/zinc/16/61/94/185166194.db2.gz AKCDNHSVCRWEOI-JTQLQIEISA-N -1 0 255.339 2.511 50 0 CFAARM CCCCC[C@@H](NC(=O)c1cc(C)oc1C)C(=O)[O-] ZINC000097036383 185166259 /nfs/dbraw/zinc/16/62/59/185166259.db2.gz PRIUHMQRNHRXSW-GFCCVEGCSA-N -1 0 267.325 2.660 50 0 CFAARM CC[C@H](C)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000097017670 529684876 /nfs/dbraw/zinc/68/48/76/529684876.db2.gz WEGAQIOIRYEISB-HUYFXPKMSA-N -1 0 261.321 2.655 50 0 CFAARM COc1ccc([C@H]2ON=C(c3ccccc3)[C@H]2C(=O)[O-])cc1 ZINC000075262328 347062623 /nfs/dbraw/zinc/06/26/23/347062623.db2.gz FYYYCTFUELPDHC-GDBMZVCRSA-N -1 0 297.310 2.872 50 0 CFAARM CCC(CC)(NC(=O)c1ccccc1)[C@H](C)C(=O)[O-] ZINC000075260740 347062648 /nfs/dbraw/zinc/06/26/48/347062648.db2.gz JUTAKYBFRBAFSY-LLVKDONJSA-N -1 0 263.337 2.696 50 0 CFAARM CCC(CC)(NC(=O)c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000075260739 347062837 /nfs/dbraw/zinc/06/28/37/347062837.db2.gz JUTAKYBFRBAFSY-NSHDSACASA-N -1 0 263.337 2.696 50 0 CFAARM O=c1c2cc(F)ccc2[n-]c(=S)n1Cc1ccccn1 ZINC000000425284 346204775 /nfs/dbraw/zinc/20/47/75/346204775.db2.gz OCHMONCXPGEGHW-UHFFFAOYSA-N -1 0 287.319 2.641 50 0 CFAARM O=C([O-])CSc1ncncc1-c1ccccc1Cl ZINC000000392454 346204888 /nfs/dbraw/zinc/20/48/88/346204888.db2.gz CPCLAEMNYFIRFM-UHFFFAOYSA-N -1 0 280.736 2.974 50 0 CFAARM CC[C@@H](Nc1nc(C)nc2c3ccccc3oc21)C(=O)[O-] ZINC000005163634 346211384 /nfs/dbraw/zinc/21/13/84/346211384.db2.gz MKTPCZLNAGRLRD-SNVBAGLBSA-N -1 0 285.303 2.960 50 0 CFAARM Cc1cccc(C)c1N=C1NC(=O)[C@H](CC(=O)[O-])S1 ZINC000005932116 346213721 /nfs/dbraw/zinc/21/37/21/346213721.db2.gz SSBQZEULFWYSME-VIFPVBQESA-N -1 0 278.333 2.838 50 0 CFAARM O=C([O-])CC1=C(O)C(=CNc2ccccc2)SC1=S ZINC000022018689 346247408 /nfs/dbraw/zinc/24/74/08/346247408.db2.gz KXRSJMKDGUUNRG-CBFJXKFUSA-N -1 0 293.369 2.674 50 0 CFAARM CC([O-])=C1C(=O)CC(c2ccc(Cl)cc2)CC1=O ZINC000100239019 185709799 /nfs/dbraw/zinc/70/97/99/185709799.db2.gz KDOCVXNHAYWJIJ-UHFFFAOYSA-N -1 0 264.708 2.561 50 0 CFAARM O=C([O-])[C@H]1CCCN(c2ccc(-c3cccs3)nn2)C1 ZINC000011568043 136563188 /nfs/dbraw/zinc/56/31/88/136563188.db2.gz DFZJYRXYBWNXPN-JTQLQIEISA-N -1 0 289.360 2.506 50 0 CFAARM C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000128567709 187377608 /nfs/dbraw/zinc/37/76/08/187377608.db2.gz ZXTSWOBILUFYQF-PRWOLLLXSA-N -1 0 291.322 2.552 50 0 CFAARM O=C([O-])c1cnc(-c2ccncc2)nc1-c1ccccc1 ZINC000095836559 347699084 /nfs/dbraw/zinc/69/90/84/347699084.db2.gz PUEIKOCKEZXCRS-UHFFFAOYSA-N -1 0 277.283 2.904 50 0 CFAARM Cc1ccc(CCCC(=O)N2CCCC[C@H]2C(=O)[O-])s1 ZINC000128608486 187379844 /nfs/dbraw/zinc/37/98/44/187379844.db2.gz OMBJWHUTRBPIGC-ZDUSSCGKSA-N -1 0 295.404 2.845 50 0 CFAARM Cc1ccsc1C(=O)N[C@H](C(=O)[O-])c1ccccc1F ZINC000195551258 348146077 /nfs/dbraw/zinc/14/60/77/348146077.db2.gz DPYWWFHHMOQPDN-NSHDSACASA-N -1 0 293.319 2.751 50 0 CFAARM Cc1cccc2c1C[C@H](C(=O)[O-])N2C(=O)OC(C)(C)C ZINC000536948639 348650970 /nfs/dbraw/zinc/65/09/70/348650970.db2.gz DEFXTMAIUBDBLO-GFCCVEGCSA-N -1 0 277.320 2.746 50 0 CFAARM CC(C)(C)CCC(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000301758427 539740184 /nfs/dbraw/zinc/74/01/84/539740184.db2.gz IAEKUMQWYWULPW-NSHDSACASA-N -1 0 255.358 2.669 50 0 CFAARM Cc1ccc(CN(C)C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000108655404 186225818 /nfs/dbraw/zinc/22/58/18/186225818.db2.gz VHGGWNCDLUDWNK-CABCVRRESA-N -1 0 289.375 2.844 50 0 CFAARM CCCCSCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002583227 169813821 /nfs/dbraw/zinc/81/38/21/169813821.db2.gz LXZZDLUCLKSJJD-JTQLQIEISA-N -1 0 291.413 2.888 50 0 CFAARM CC(C)(C)OC(=O)N1CC[C@]2(C(=O)[O-])CCCC[C@H]12 ZINC000310011905 539890725 /nfs/dbraw/zinc/89/07/25/539890725.db2.gz ZTGUWOMBPDTTMH-IINYFYTJSA-N -1 0 269.341 2.641 50 0 CFAARM O=C([O-])C1(NC(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000006744441 304032843 /nfs/dbraw/zinc/03/28/43/304032843.db2.gz DDZVUYWJZOIJSS-UHFFFAOYSA-N -1 0 281.739 2.857 50 0 CFAARM C[C@@H]1CC[C@H](C(=O)N=c2ccc(C3CC3)n[n-]2)C[C@@H]1C ZINC000333841470 540146206 /nfs/dbraw/zinc/14/62/06/540146206.db2.gz NQOVDWKQRKMIFF-MDZLAQPJSA-N -1 0 273.380 2.787 50 0 CFAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC000050921496 304058622 /nfs/dbraw/zinc/05/86/22/304058622.db2.gz YTZTXSMQMBTFPL-OLZOCXBDSA-N -1 0 265.353 2.589 50 0 CFAARM CC(C)(C)OC(=O)NC[C@@]1(C(=O)[O-])CC12CCCC2 ZINC000146485737 540336486 /nfs/dbraw/zinc/33/64/86/540336486.db2.gz RHLZKEWKVIWCPW-CQSZACIVSA-N -1 0 269.341 2.546 50 0 CFAARM O=C([O-])C[C@@H]1CCCN1C(=O)C/C=C/c1ccc(F)cc1 ZINC000262981044 304075225 /nfs/dbraw/zinc/07/52/25/304075225.db2.gz PJNXQVPQTAKKPZ-YOUVMVQBSA-N -1 0 291.322 2.695 50 0 CFAARM CCCCc1onc(-c2cncs2)c1C(=O)[O-] ZINC000675057755 540644209 /nfs/dbraw/zinc/64/42/09/540644209.db2.gz NGJGRASULWIVIW-UHFFFAOYSA-N -1 0 252.295 2.839 50 0 CFAARM CCCCc1onc(-c2nccs2)c1C(=O)[O-] ZINC000675057802 540644260 /nfs/dbraw/zinc/64/42/60/540644260.db2.gz PORUUICTGYLCIQ-UHFFFAOYSA-N -1 0 252.295 2.839 50 0 CFAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NC1CCCCC1 ZINC000013320523 304097706 /nfs/dbraw/zinc/09/77/06/304097706.db2.gz RPAPUTWGIZNASH-DZYMPVBWSA-N -1 0 279.380 2.572 50 0 CFAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000017024783 304099934 /nfs/dbraw/zinc/09/99/34/304099934.db2.gz NEQJXRWMLMJVQQ-BZUAXINKSA-N -1 0 299.370 2.847 50 0 CFAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1 ZINC000299750924 200856770 /nfs/dbraw/zinc/85/67/70/200856770.db2.gz OUOOKASSOMMUTF-YNEHKIRRSA-N -1 0 293.750 2.519 50 0 CFAARM Cc1c(F)cccc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000263184333 541001466 /nfs/dbraw/zinc/00/14/66/541001466.db2.gz KNYOLSWCAZNSBG-GFCCVEGCSA-N -1 0 293.338 2.994 50 0 CFAARM CCCN(CC(=O)[O-])c1nnc(-c2ccccc2)s1 ZINC000263423978 541005439 /nfs/dbraw/zinc/00/54/39/541005439.db2.gz QMZLZEBIDNPWOE-UHFFFAOYSA-N -1 0 277.349 2.506 50 0 CFAARM CC[Si](CC)(CC)c1cc(C(=O)[O-])nc(F)c1F ZINC000195872603 189682194 /nfs/dbraw/zinc/68/21/94/189682194.db2.gz FMZYMIOBXWQXBJ-UHFFFAOYSA-N -1 0 273.355 2.774 50 0 CFAARM CC(C)(C)OC(=O)N1CCCC[C@@H]1c1n[nH]cc1C(=O)[O-] ZINC000685939227 541450866 /nfs/dbraw/zinc/45/08/66/541450866.db2.gz YPGJCMXUHQTUGZ-SNVBAGLBSA-N -1 0 295.339 2.570 50 0 CFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)NC1CCCCC1 ZINC000216609065 304141070 /nfs/dbraw/zinc/14/10/70/304141070.db2.gz VYOGJLOLTXWSFO-UBHSHLNASA-N -1 0 294.395 2.746 50 0 CFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(F)cc1 ZINC000013225134 304141996 /nfs/dbraw/zinc/14/19/96/304141996.db2.gz SGOLQBSXYYLCMP-UBHSHLNASA-N -1 0 291.322 2.684 50 0 CFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 ZINC000102246959 304147725 /nfs/dbraw/zinc/14/77/25/304147725.db2.gz GHOCRGGRRGZNJN-RDBSUJKOSA-N -1 0 273.332 2.545 50 0 CFAARM COc1ccc(C(=O)CCC(=O)[O-])c2ccccc12 ZINC000000000446 371508248 /nfs/dbraw/zinc/50/82/48/371508248.db2.gz FHGJSJFIQNQBCK-UHFFFAOYSA-N -1 0 258.273 2.896 50 0 in-man CFAARM Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000000034467 371511709 /nfs/dbraw/zinc/51/17/09/371511709.db2.gz OTQCEDSGNLCOQI-NSHDSACASA-N -1 0 279.336 2.575 50 0 CFAARM CC(C)C[C@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000000064826 371521746 /nfs/dbraw/zinc/52/17/46/371521746.db2.gz ZXCCLHAPTDCVKL-LBPRGKRZSA-N -1 0 259.309 2.541 50 0 CFAARM COc1ccc(CNC(=O)C(Cl)(Cl)Cl)cc1 ZINC000000068257 371521785 /nfs/dbraw/zinc/52/17/85/371521785.db2.gz RGHIABQAGTVHJA-UHFFFAOYSA-N -1 0 282.554 2.682 50 0 CFAARM O=C([O-])CCC(=O)Nc1cccc(Cl)c1Cl ZINC000000072393 371523547 /nfs/dbraw/zinc/52/35/47/371523547.db2.gz JOELDNPZIZVTSR-UHFFFAOYSA-N -1 0 262.092 2.797 50 0 CFAARM Cc1ccc(C)c(NC(=O)N=C([O-])C(F)(F)F)c1 ZINC000000081866 371524819 /nfs/dbraw/zinc/52/48/19/371524819.db2.gz HQUDJUVHRZCLQA-UHFFFAOYSA-N -1 0 260.215 2.514 50 0 CFAARM c1sc([N-]c2ncccn2)nc1-c1cccnc1 ZINC000000088690 371526597 /nfs/dbraw/zinc/52/65/97/371526597.db2.gz VSKCWIXMOBTHAR-UHFFFAOYSA-N -1 0 255.306 2.739 50 0 CFAARM Cc1cc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)no1 ZINC000000088891 371527239 /nfs/dbraw/zinc/52/72/39/371527239.db2.gz CEWJFUKOFXOALB-UHFFFAOYSA-N -1 0 280.349 2.709 50 0 CFAARM O=C([O-])[C@H](C(=O)OCc1ccccc1)c1ccccc1 ZINC000000105223 371531084 /nfs/dbraw/zinc/53/10/84/371531084.db2.gz QSBAHMROFICXDC-CQSZACIVSA-N -1 0 270.284 2.598 50 0 CFAARM Cc1ccsc1CNC(=O)c1ccccc1C(=O)[O-] ZINC000000147815 371543522 /nfs/dbraw/zinc/54/35/22/371543522.db2.gz LYSDXYOLVFHZAV-UHFFFAOYSA-N -1 0 275.329 2.685 50 0 CFAARM O=C([O-])c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O ZINC000000169392 371547832 /nfs/dbraw/zinc/54/78/32/371547832.db2.gz YUYOYZFKVQRFTI-UHFFFAOYSA-N -1 0 297.232 2.614 50 0 CFAARM O=C([O-])CSc1ncc(C(F)(F)F)cc1Cl ZINC000000169099 371548595 /nfs/dbraw/zinc/54/85/95/371548595.db2.gz IAMIKJTZALCGDG-UHFFFAOYSA-N -1 0 271.647 2.931 50 0 CFAARM [O-]C1=C[C@@](O)(C(F)(F)F)Oc2ccc(Cl)cc21 ZINC000000185392 371552957 /nfs/dbraw/zinc/55/29/57/371552957.db2.gz XSIUPZCCHUQFKR-VIFPVBQESA-N -1 0 266.602 2.556 50 0 CFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccs1 ZINC000000249387 371567897 /nfs/dbraw/zinc/56/78/97/371567897.db2.gz UBIQXAQHJUEMTA-UHFFFAOYSA-N -1 0 283.374 2.866 50 0 CFAARM Cc1ccc(CNC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000000261249 371572034 /nfs/dbraw/zinc/57/20/34/371572034.db2.gz HULHCJZTOYDUAF-UHFFFAOYSA-N -1 0 269.300 2.623 50 0 CFAARM CCc1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000291438 371579242 /nfs/dbraw/zinc/57/92/42/371579242.db2.gz LHKPBRVLFORIKT-OLZOCXBDSA-N -1 0 273.332 2.855 50 0 CFAARM CCc1ccccc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000000312656 371585899 /nfs/dbraw/zinc/58/58/99/371585899.db2.gz VFPCVSBORBLUMB-UHFFFAOYSA-N -1 0 295.294 2.748 50 0 CFAARM O=C([O-])CCC(=O)Nc1ccc(Cl)cc1Cl ZINC000000372483 371599183 /nfs/dbraw/zinc/59/91/83/371599183.db2.gz NYCGBSAZWOCXNH-UHFFFAOYSA-N -1 0 262.092 2.797 50 0 CFAARM CCOC(=O)c1c(C)oc2ccc(O[C@@H](C)C(=O)[O-])cc21 ZINC000000407143 371606539 /nfs/dbraw/zinc/60/65/39/371606539.db2.gz NIOSIBPWCOGLJI-VIFPVBQESA-N -1 0 292.287 2.770 50 0 CFAARM O=c1cc(-c2ccccc2)oc2cc3c(c(O)c12)OCCO3 ZINC000000518600 371633388 /nfs/dbraw/zinc/63/33/88/371633388.db2.gz QPIQWBAETCCYTB-UHFFFAOYSA-N -1 0 296.278 2.937 50 0 CFAARM CC(C)C[C@H](NC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000000538617 371636818 /nfs/dbraw/zinc/63/68/18/371636818.db2.gz YYNJKBJNJVNWBL-NSHDSACASA-N -1 0 284.743 2.961 50 0 CFAARM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)cc1Cl ZINC000000534949 371637402 /nfs/dbraw/zinc/63/74/02/371637402.db2.gz FAOLPGLKRUKFAU-NSHDSACASA-N -1 0 284.743 2.879 50 0 CFAARM Cc1sc2ncnc(N[C@H](C(=O)[O-])C(C)C)c2c1C ZINC000000545002 371637999 /nfs/dbraw/zinc/63/79/99/371637999.db2.gz SMIHBDKYYRTRRU-JTQLQIEISA-N -1 0 279.365 2.829 50 0 CFAARM CCOc1cc(C(=O)[O-])cc(Br)c1OCC ZINC000000615162 371645704 /nfs/dbraw/zinc/64/57/04/371645704.db2.gz VPNPMOZAIFPDHR-UHFFFAOYSA-N -1 0 289.125 2.945 50 0 CFAARM O=C([O-])c1cccc(-c2ccc(/C=C/[N+](=O)[O-])o2)c1 ZINC000000794928 371648393 /nfs/dbraw/zinc/64/83/93/371648393.db2.gz MROVTHMUAOMBLB-VOTSOKGWSA-N -1 0 259.217 2.892 50 0 CFAARM COc1ccc(Nc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000000873566 371651822 /nfs/dbraw/zinc/65/18/22/371651822.db2.gz ULIUXVXHYVQNQQ-UHFFFAOYSA-N -1 0 264.306 2.902 50 0 CFAARM CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000000859368 371653064 /nfs/dbraw/zinc/65/30/64/371653064.db2.gz RHXSPRBJLXYTDA-CYBMUJFWSA-N -1 0 277.364 2.823 50 0 CFAARM COc1cccc(C(=O)CCCCCC(=O)[O-])c1 ZINC000002242971 371720315 /nfs/dbraw/zinc/72/03/15/371720315.db2.gz QAGAEXVSIVDMPT-UHFFFAOYSA-N -1 0 250.294 2.913 50 0 CFAARM CC[C@@H](C)OC(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC000002284468 371722065 /nfs/dbraw/zinc/72/20/65/371722065.db2.gz XXAYLBNWPHXYGH-BXKDBHETSA-N -1 0 299.754 2.860 50 0 CFAARM CCCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002386120 371725552 /nfs/dbraw/zinc/72/55/52/371725552.db2.gz PGJIJHNIIQRRGV-JTQLQIEISA-N -1 0 259.346 2.935 50 0 CFAARM CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1)CC(=O)[O-] ZINC000002572718 371738329 /nfs/dbraw/zinc/73/83/29/371738329.db2.gz MYWZFJXOLAXENE-ZDUSSCGKSA-N -1 0 293.363 2.987 50 0 CFAARM CCOc1ccc(C(=O)CCC(=O)[O-])cc1OCC ZINC000003335190 371793458 /nfs/dbraw/zinc/79/34/58/371793458.db2.gz KEQRXZMVISHFQP-UHFFFAOYSA-N -1 0 266.293 2.532 50 0 CFAARM O=C1[N-]C(=O)[C@H](Sc2ccc(Cl)cc2)S1 ZINC000004110096 371834887 /nfs/dbraw/zinc/83/48/87/371834887.db2.gz COUMIKAABNECQD-MRVPVSSYSA-N -1 0 259.739 2.741 50 0 CFAARM O=c1c2ccccc2[n-]c(=S)n1Cc1cccnc1 ZINC000003888606 371822057 /nfs/dbraw/zinc/82/20/57/371822057.db2.gz PZLVJPPOFNKHFH-UHFFFAOYSA-N -1 0 269.329 2.502 50 0 CFAARM Cc1nn(-c2cccc(Br)c2)c(C)c1C(=O)[O-] ZINC000003883975 371823022 /nfs/dbraw/zinc/82/30/22/371823022.db2.gz GKWQVACDLZXGEF-UHFFFAOYSA-N -1 0 295.136 2.950 50 0 CFAARM CC(C)[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-] ZINC000004009131 371827774 /nfs/dbraw/zinc/82/77/74/371827774.db2.gz PEOFRASVOPVXDK-XWWZASNVSA-N -1 0 293.407 2.818 50 0 CFAARM CCc1cccc(CC)c1NC(=S)NCCCC(=O)[O-] ZINC000004361199 371852545 /nfs/dbraw/zinc/85/25/45/371852545.db2.gz JKGXTYKPHWUCDV-UHFFFAOYSA-N -1 0 294.420 2.963 50 0 CFAARM Cc1ccccc1C(=O)N/C(=C\c1ccc(O)cc1)C(=O)[O-] ZINC000004525244 371862341 /nfs/dbraw/zinc/86/23/41/371862341.db2.gz ZPJUCKYXSBBNFQ-GDNBJRDFSA-N -1 0 297.310 2.556 50 0 CFAARM C[C@H]1[C@H](NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])CCC[C@@H]1C ZINC000004614685 371868542 /nfs/dbraw/zinc/86/85/42/371868542.db2.gz OBMQZIBNDRYDNT-MQLXINIDSA-N -1 0 281.396 2.818 50 0 CFAARM CC1(C)[C@H](C(=O)Nc2nccs2)CC[C@]1(C)C(=O)[O-] ZINC000004661080 371872033 /nfs/dbraw/zinc/87/20/33/371872033.db2.gz BBXZKNURCHZUAR-ISVAXAHUSA-N -1 0 282.365 2.609 50 0 CFAARM Cc1ccc(Cn2ncc3c2nc(C)cc3C(=O)[O-])cc1 ZINC000004218663 371842138 /nfs/dbraw/zinc/84/21/38/371842138.db2.gz YYXAQSFNYXGRGR-UHFFFAOYSA-N -1 0 281.315 2.795 50 0 CFAARM Cc1ccc(F)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000006730648 371890109 /nfs/dbraw/zinc/89/01/09/371890109.db2.gz JWROTKAEAMMUNM-NEPJUHHUSA-N -1 0 279.311 2.964 50 0 CFAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000010301885 371906414 /nfs/dbraw/zinc/90/64/14/371906414.db2.gz ORHYNDXKCWTOFG-UHFFFAOYSA-N -1 0 299.298 2.774 50 0 CFAARM Cc1nn(C)c2nc(-c3ccc(C)cc3)cc(C(=O)[O-])c12 ZINC000011567282 371921497 /nfs/dbraw/zinc/92/14/97/371921497.db2.gz RZTGEBONDAJNFI-UHFFFAOYSA-N -1 0 281.315 2.950 50 0 CFAARM C/C(=C/C(=O)[O-])C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000011565767 371921750 /nfs/dbraw/zinc/92/17/50/371921750.db2.gz CMKLAMFSILUWSB-KXFIGUGUSA-N -1 0 274.103 2.963 50 0 CFAARM CCCC[C@@H](NC(=O)c1cc2ccccc2o1)C(=O)[O-] ZINC000011866890 371933839 /nfs/dbraw/zinc/93/38/39/371933839.db2.gz IBJAOOKWNSYEHD-LLVKDONJSA-N -1 0 275.304 2.806 50 0 CFAARM Cc1nn(CC(=O)[O-])c2nc(C3CC3)cc(C(F)(F)F)c12 ZINC000012395236 371958234 /nfs/dbraw/zinc/95/82/34/371958234.db2.gz TUYZZYREFAOFPG-UHFFFAOYSA-N -1 0 299.252 2.721 50 0 CFAARM O=C([O-])CCCn1nc(C(F)(F)F)c2c1CCCC2 ZINC000012396381 371958632 /nfs/dbraw/zinc/95/86/32/371958632.db2.gz JUNDPKHSUOPPPD-UHFFFAOYSA-N -1 0 276.258 2.646 50 0 CFAARM CCOC(=O)c1ccccc1[N-]C(=S)OCC ZINC000012860180 371990435 /nfs/dbraw/zinc/99/04/35/371990435.db2.gz UHGFJRTXJWOHAT-UHFFFAOYSA-N -1 0 253.323 2.597 50 0 CFAARM CC(=O)c1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000012880971 371994447 /nfs/dbraw/zinc/99/44/47/371994447.db2.gz MVFOJZAOUHTEJR-UHFFFAOYSA-N -1 0 277.320 2.719 50 0 CFAARM CCCCNc1nc(=O)c(Cc2ccc(Cl)cc2)n[n-]1 ZINC000013113948 372014805 /nfs/dbraw/zinc/01/48/05/372014805.db2.gz QJCGSTGSNFLRIL-UHFFFAOYSA-N -1 0 292.770 2.621 50 0 CFAARM CC(C)c1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013170277 372018313 /nfs/dbraw/zinc/01/83/13/372018313.db2.gz IRFHYUCJCIECGL-CQSZACIVSA-N -1 0 275.348 2.747 50 0 CFAARM CCc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)sc1C ZINC000013260592 372022109 /nfs/dbraw/zinc/02/21/09/372022109.db2.gz UAXPPJUXEWSVMH-NSHDSACASA-N -1 0 281.377 2.556 50 0 CFAARM O=C([O-])C[C@@H](NC(=O)C1CCCCC1)c1cccs1 ZINC000013388888 372026336 /nfs/dbraw/zinc/02/63/36/372026336.db2.gz FQVVIMOHAXKXTN-LLVKDONJSA-N -1 0 281.377 2.960 50 0 CFAARM O=C([O-])C[C@@H](NC(=O)c1ccc(F)cc1)c1cccs1 ZINC000013388770 372026928 /nfs/dbraw/zinc/02/69/28/372026928.db2.gz QMOAYODZXGSQAV-LLVKDONJSA-N -1 0 293.319 2.833 50 0 CFAARM CC(=O)c1nc([N-]c2nc3ccccc3o2)ncc1C ZINC000017991880 372137901 /nfs/dbraw/zinc/13/79/01/372137901.db2.gz DDLKPFPLLQNPKS-UHFFFAOYSA-N -1 0 268.276 2.872 50 0 CFAARM COc1ccc(-c2coc3cc([O-])cc(O)c3c2=O)cc1 ZINC000018847037 372146984 /nfs/dbraw/zinc/14/69/84/372146984.db2.gz WUADCCWRTIWANL-UHFFFAOYSA-N -1 0 284.267 2.880 50 0 endogenous,in-man CFAARM O=C([O-])CSCc1ccc(OC(F)(F)F)cc1 ZINC000019267644 372153123 /nfs/dbraw/zinc/15/31/23/372153123.db2.gz IZUKBDRGSSLVQT-UHFFFAOYSA-N -1 0 266.240 2.903 50 0 CFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1ccco1 ZINC000019422974 372163408 /nfs/dbraw/zinc/16/34/08/372163408.db2.gz QNBZWRKHVOQESZ-KCJPBNATSA-N -1 0 289.331 2.537 50 0 CFAARM CC/C=C(\C)C(=O)Nc1ccc(NC(C)=O)cc1C(=O)[O-] ZINC000019423098 372163437 /nfs/dbraw/zinc/16/34/37/372163437.db2.gz YZXXPCGXCNXJCB-WEVVVXLNSA-N -1 0 290.319 2.638 50 0 CFAARM O=C([O-])CCNC(=O)c1ccc(-c2ccccc2)cc1 ZINC000016991547 372124983 /nfs/dbraw/zinc/12/49/83/372124983.db2.gz MKNIGFHXNAENKB-UHFFFAOYSA-N -1 0 269.300 2.558 50 0 CFAARM O=C([O-])c1nnn(-c2ccccc2F)c1-c1ccccc1 ZINC000019813390 372192720 /nfs/dbraw/zinc/19/27/20/372192720.db2.gz NHURHFUDJLGYKK-UHFFFAOYSA-N -1 0 283.262 2.772 50 0 CFAARM CC1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000019836890 372193594 /nfs/dbraw/zinc/19/35/94/372193594.db2.gz MTQMJRSECFIQIT-UHFFFAOYSA-N -1 0 253.729 2.918 50 0 CFAARM Cc1ccc([C@@H](C)NC(=O)CC(C)(C)CC(=O)[O-])o1 ZINC000029010681 372372442 /nfs/dbraw/zinc/37/24/42/372372442.db2.gz ODTUXVVJICNGSO-SNVBAGLBSA-N -1 0 267.325 2.656 50 0 CFAARM CCCOc1cc(Br)c(C(=O)[O-])cc1OC ZINC000033660186 372497908 /nfs/dbraw/zinc/49/79/08/372497908.db2.gz OUJMPXRIJHPUSE-UHFFFAOYSA-N -1 0 289.125 2.945 50 0 CFAARM CC(C)[C@H](NC(=O)OC(C)(C)C)c1nc(C(=O)[O-])co1 ZINC000034419440 372508697 /nfs/dbraw/zinc/50/86/97/372508697.db2.gz BQCLHOSRSNFRTN-VIFPVBQESA-N -1 0 284.312 2.595 50 0 CFAARM Cc1c(C(=O)[O-])cnn1-c1ccc(Br)cc1F ZINC000036047709 372553255 /nfs/dbraw/zinc/55/32/55/372553255.db2.gz VWXRGCGCOCJEQK-UHFFFAOYSA-N -1 0 299.099 2.781 50 0 CFAARM CCC[C@H](NC(=O)c1sccc1-n1cccc1)C(=O)[O-] ZINC000036837053 372600682 /nfs/dbraw/zinc/60/06/82/372600682.db2.gz PTVGKBIVLOSJQN-JTQLQIEISA-N -1 0 292.360 2.522 50 0 CFAARM CCOc1cccc(/C=C/C(=O)[O-])c1OCc1ccno1 ZINC000036672433 372585656 /nfs/dbraw/zinc/58/56/56/372585656.db2.gz NGJSIEFTSUBBOM-VOTSOKGWSA-N -1 0 289.287 2.750 50 0 CFAARM Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(F)c1 ZINC000035123387 372544397 /nfs/dbraw/zinc/54/43/97/372544397.db2.gz AQHILEZPERGZON-GHMZBOCLSA-N -1 0 279.311 2.964 50 0 CFAARM Cn1c(Cl)cnc1Cn1c(C(=O)[O-])cc2ccccc21 ZINC000036903449 372609876 /nfs/dbraw/zinc/60/98/76/372609876.db2.gz OHQWKYHXLSQRIM-UHFFFAOYSA-N -1 0 289.722 2.775 50 0 CFAARM O=C([O-])[C@@H](NC(=O)CCc1cccs1)c1ccccc1 ZINC000036966789 372617389 /nfs/dbraw/zinc/61/73/89/372617389.db2.gz XLPGGYVNVSMZTB-AWEZNQCLSA-N -1 0 289.356 2.623 50 0 CFAARM O=C([O-])c1cccc(CNC(=O)C2CCCCC2)c1 ZINC000037716396 372691749 /nfs/dbraw/zinc/69/17/49/372691749.db2.gz OQQQERHHMRTPLA-UHFFFAOYSA-N -1 0 261.321 2.581 50 0 CFAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1cc2ccccc2o1 ZINC000238076865 189898987 /nfs/dbraw/zinc/89/89/87/189898987.db2.gz MJPZNBAZZRZZLA-SBDDDAINSA-N -1 0 285.299 2.522 50 0 CFAARM CC/C=C(/C)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050921474 373383554 /nfs/dbraw/zinc/38/35/54/373383554.db2.gz WZEWZAWPBSWTNO-DSDFTUOUSA-N -1 0 253.342 2.589 50 0 CFAARM O=C([O-])Cc1ccccc1NC(=O)Cc1ccsc1 ZINC000053200194 373470169 /nfs/dbraw/zinc/47/01/69/373470169.db2.gz XZJRNYOKLZJEIZ-UHFFFAOYSA-N -1 0 275.329 2.556 50 0 CFAARM Cc1nc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)cn1C ZINC000058180136 373631362 /nfs/dbraw/zinc/63/13/62/373631362.db2.gz DFFVPVDAZCWCRT-UHFFFAOYSA-N -1 0 293.392 2.653 50 0 CFAARM O=C([O-])C[C@H](CC(=O)NC1CCCC1)c1ccccc1 ZINC000057571730 373599461 /nfs/dbraw/zinc/59/94/61/373599461.db2.gz MCSVZTQJMSDBIZ-ZDUSSCGKSA-N -1 0 275.348 2.694 50 0 CFAARM C[C@]1(C(=O)[O-])CCN(C(=O)/C=C/c2ccc(Cl)s2)C1 ZINC000062913591 373772892 /nfs/dbraw/zinc/77/28/92/373772892.db2.gz ILJQCFQWOMOTAQ-LQPUYASZSA-N -1 0 299.779 2.738 50 0 CFAARM COc1ccc(F)cc1[C@@H](C)NC(=O)C[C@@H](C)CC(=O)[O-] ZINC000061835845 373730549 /nfs/dbraw/zinc/73/05/49/373730549.db2.gz BABHVCWVUMAQTF-NXEZZACHSA-N -1 0 297.326 2.512 50 0 CFAARM O=C([O-])c1ccc(NC(=O)N2CCCCC2)c(F)c1 ZINC000063009166 373779992 /nfs/dbraw/zinc/77/99/92/373779992.db2.gz MXJYGDHPPRPOBE-UHFFFAOYSA-N -1 0 266.272 2.542 50 0 CFAARM COC(=O)c1ccc(-c2cccc(C(=O)[O-])c2)c(F)c1 ZINC000065339825 373857229 /nfs/dbraw/zinc/85/72/29/373857229.db2.gz 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ZINC000252477632 383410401 /nfs/dbraw/zinc/41/04/01/383410401.db2.gz RQKISKWDLYBFGZ-UHFFFAOYSA-N -1 0 292.298 2.774 50 0 CFAARM CCCn1c(C(=O)N(C)[C@@H](C)C(=O)[O-])cc2ccccc21 ZINC000263143276 383655222 /nfs/dbraw/zinc/65/52/22/383655222.db2.gz MWFQIWGJMJSDMQ-NSHDSACASA-N -1 0 288.347 2.596 50 0 CFAARM Cc1oc(CNC(=O)c2occc2C(C)C)cc1C(=O)[O-] ZINC000263225565 383656805 /nfs/dbraw/zinc/65/68/05/383656805.db2.gz ZZZNZGYYHDIPQW-UHFFFAOYSA-N -1 0 291.303 2.933 50 0 CFAARM C[C@H](NC(=O)CCc1cc(Cl)cs1)[C@H](C)C(=O)[O-] ZINC000263420796 383664686 /nfs/dbraw/zinc/66/46/86/383664686.db2.gz IUKVJSLBXZHCGO-YUMQZZPRSA-N -1 0 289.784 2.560 50 0 CFAARM O=C([O-])c1ccc2c(c1)C(=O)O[C@@H]2c1ccc(F)cc1 ZINC000022059502 304252118 /nfs/dbraw/zinc/25/21/18/304252118.db2.gz IGEKIFWYHHOBIB-CYBMUJFWSA-N -1 0 272.231 2.784 50 0 in-vitro CFAARM O=C([O-])c1ccccc1C[C@H]1OC(=O)c2ccccc21 ZINC000002042149 304269223 /nfs/dbraw/zinc/26/92/23/304269223.db2.gz QTJSKUCNPMCNDA-CQSZACIVSA-N -1 0 268.268 2.839 50 0 CFAARM CCOc1cc(C(=O)[O-])ccc1OCc1ccccn1 ZINC000020281397 171132752 /nfs/dbraw/zinc/13/27/52/171132752.db2.gz SNFJCDZYWMZLRB-UHFFFAOYSA-N -1 0 273.288 2.758 50 0 CFAARM O=C([O-])c1csc(COc2ccc(F)cc2)n1 ZINC000012804013 304282238 /nfs/dbraw/zinc/28/22/38/304282238.db2.gz GSLRUKPYXUKZCK-UHFFFAOYSA-N -1 0 253.254 2.559 50 0 CFAARM O=C([O-])c1ncn2c1CO[C@@H](c1ccc(Cl)cc1)C2 ZINC000085397334 304284160 /nfs/dbraw/zinc/28/41/60/304284160.db2.gz TVLFMPTWTJZBOA-LLVKDONJSA-N -1 0 278.695 2.506 50 0 CFAARM COC(=O)c1cc(=O)c2c(Cl)cc(Cl)cc2[n-]1 ZINC000034354758 291995602 /nfs/dbraw/zinc/99/56/02/291995602.db2.gz DNQDFGYHUHRIHR-UHFFFAOYSA-N -1 0 272.087 2.622 50 0 CFAARM COc1ccc(-c2cc(C)nc(SCC(=O)[O-])n2)cc1 ZINC000000155562 393447693 /nfs/dbraw/zinc/44/76/93/393447693.db2.gz SBRNKOUSYXRSCA-UHFFFAOYSA-N -1 0 290.344 2.637 50 0 CFAARM O=C([O-])CC[N@@H+]1CCc2ccccc2[C@H]1c1ccncc1 ZINC000002456163 393453759 /nfs/dbraw/zinc/45/37/59/393453759.db2.gz UZNOTGVPJYCZSU-QGZVFWFLSA-N -1 0 282.343 2.504 50 0 CFAARM 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259.261 2.847 50 0 CFAARM O=C([O-])C[C@H](NC(=O)Cc1ccccc1)c1ccccc1 ZINC000000332621 371589075 /nfs/dbraw/zinc/58/90/75/371589075.db2.gz URKWJOAJRKPEFW-HNNXBMFYSA-N -1 0 283.327 2.561 50 0 CFAARM COc1cc(OC)cc(S[C@H](C(=O)[O-])C(C)C)c1 ZINC000000337174 371589836 /nfs/dbraw/zinc/58/98/36/371589836.db2.gz VQDRPTLYFCQFOT-LBPRGKRZSA-N -1 0 270.350 2.905 50 0 CFAARM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccn1 ZINC000000367660 371596871 /nfs/dbraw/zinc/59/68/71/371596871.db2.gz PWGMGNLUANRADE-UHFFFAOYSA-N -1 0 282.752 2.844 50 0 CFAARM Cc1csc([N-]S(=O)(=O)c2cccc(Cl)c2)n1 ZINC000000366735 371597263 /nfs/dbraw/zinc/59/72/63/371597263.db2.gz BNJVFKDCKMSVLN-UHFFFAOYSA-N -1 0 288.781 2.906 50 0 CFAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2)c(O)c1 ZINC000000383805 371600673 /nfs/dbraw/zinc/60/06/73/371600673.db2.gz XQMMAOCPPZOFHD-UHFFFAOYSA-N -1 0 263.318 2.501 50 0 CFAARM O=C([O-])c1ccccc1[S@](=O)Cc1ccccc1 ZINC000000391509 371603279 /nfs/dbraw/zinc/60/32/79/371603279.db2.gz IHSDWNKZUMUWEX-SFHVURJKSA-N -1 0 260.314 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ZINC000004050055 371831248 /nfs/dbraw/zinc/83/12/48/371831248.db2.gz MSKFRTDBAVOOCG-UHFFFAOYSA-N -1 0 270.404 2.998 50 0 CFAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1nc2c(cccc2Cl)s1 ZINC000004105020 371831727 /nfs/dbraw/zinc/83/17/27/371831727.db2.gz BBLJDYIKFJXKLK-WDSKDSINSA-N -1 0 296.735 2.609 50 0 CFAARM Cc1cccc(-n2ccnc2SCC(=O)[O-])c1C ZINC000003354105 371794834 /nfs/dbraw/zinc/79/48/34/371794834.db2.gz YDBMGVOTDPAKGU-UHFFFAOYSA-N -1 0 262.334 2.666 50 0 CFAARM O=c1cc(-c2ccccc2)oc2cc([O-])cc(O)c12 ZINC000003872070 371820729 /nfs/dbraw/zinc/82/07/29/371820729.db2.gz RTIXKCRFFJGDFG-UHFFFAOYSA-N -1 0 254.241 2.871 50 0 endogenous,in-man CFAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000003910407 371825831 /nfs/dbraw/zinc/82/58/31/371825831.db2.gz JFVLZAPPBGHGBP-DTWKUNHWSA-N -1 0 278.160 2.782 50 0 CFAARM O=C1O[C@@H](c2c(=O)oc3ccccc3c2[O-])c2ccccc21 ZINC000003989758 371826917 /nfs/dbraw/zinc/82/69/17/371826917.db2.gz SOCNCJJCXYBPRJ-OAHLLOKOSA-N -1 0 294.262 2.758 50 0 CFAARM CCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1cccs1 ZINC000005596584 371885077 /nfs/dbraw/zinc/88/50/77/371885077.db2.gz AJRPBGRDGWLDOI-ZWNOBZJWSA-N -1 0 281.377 2.913 50 0 CFAARM CCC(CC)C(=O)Oc1c(OC)cc(C(=O)[O-])cc1OC ZINC000004666862 371871826 /nfs/dbraw/zinc/87/18/26/371871826.db2.gz FJIPBROAMJFHQE-UHFFFAOYSA-N -1 0 296.319 2.744 50 0 CFAARM COc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])c(OC)c1 ZINC000004689841 371874083 /nfs/dbraw/zinc/87/40/83/371874083.db2.gz FUGHMKVGWAANSS-UHFFFAOYSA-N -1 0 295.335 2.533 50 0 CFAARM CC(C)(C)OC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000004899626 371876270 /nfs/dbraw/zinc/87/62/70/371876270.db2.gz POJYGQHOQQDGQZ-AXFHLTTASA-N -1 0 269.341 2.639 50 0 CFAARM CCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccs1 ZINC000005596548 371884451 /nfs/dbraw/zinc/88/44/51/371884451.db2.gz AJRPBGRDGWLDOI-MFKMUULPSA-N -1 0 281.377 2.913 50 0 CFAARM Cc1c(C(=O)[O-])[nH]c2c1C(=O)C[C@H](c1cccs1)C2 ZINC000004148935 371836792 /nfs/dbraw/zinc/83/67/92/371836792.db2.gz 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ZINC000005592326 170116995 /nfs/dbraw/zinc/11/69/95/170116995.db2.gz SKAYIWHWABIVKT-UHFFFAOYSA-N -1 0 263.318 2.836 50 0 CFAARM CC(C)C[C@@H](NC(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000005613926 170119759 /nfs/dbraw/zinc/11/97/59/170119759.db2.gz LGOVJYSFGRMIAB-LLVKDONJSA-N -1 0 269.728 2.569 50 0 CFAARM O=C(Nc1ccccc1F)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000005687473 170129417 /nfs/dbraw/zinc/12/94/17/170129417.db2.gz YHTNIWPXNWGLSN-UHFFFAOYSA-N -1 0 298.273 2.625 50 0 CFAARM CCOc1ccc(Br)cc1/C=C\C(=O)[O-] ZINC000005959582 170162903 /nfs/dbraw/zinc/16/29/03/170162903.db2.gz ZMQAXIQIWCZKPZ-UTCJRWHESA-N -1 0 271.110 2.946 50 0 CFAARM CC[C@H](C)[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000006168478 170180244 /nfs/dbraw/zinc/18/02/44/170180244.db2.gz ITGILGVFQHJKHM-KWQFWETISA-N -1 0 284.743 2.961 50 0 CFAARM C[C@H](Oc1c(Cl)cc(C=O)cc1Cl)C(=O)[O-] ZINC000006200824 170182042 /nfs/dbraw/zinc/18/20/42/170182042.db2.gz OHRIXVQLDRUTQY-YFKPBYRVSA-N -1 0 263.076 2.658 50 0 CFAARM CC(C)(C)c1cc([N-]S(=O)(=O)c2cccs2)no1 ZINC000006699043 170228188 /nfs/dbraw/zinc/22/81/88/170228188.db2.gz JIEJNCFZOPYYEN-UHFFFAOYSA-N -1 0 286.378 2.834 50 0 CFAARM COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000006726492 170233330 /nfs/dbraw/zinc/23/33/30/170233330.db2.gz IEOPYOFYZSLLQY-OLZOCXBDSA-N -1 0 291.347 2.833 50 0 CFAARM COc1ccc(C(=O)c2cnc3nc(C)ccc3c2[O-])cc1 ZINC000006974073 170260054 /nfs/dbraw/zinc/26/00/54/170260054.db2.gz VHFQRTYIPBUEGN-UHFFFAOYSA-N -1 0 294.310 2.883 50 0 CFAARM O=S(=O)([N-]c1cccc(F)c1)c1ccc(F)cc1F ZINC000007402276 170282952 /nfs/dbraw/zinc/28/29/52/170282952.db2.gz DFSGCMBXVBHZHT-UHFFFAOYSA-N -1 0 287.262 2.905 50 0 CFAARM O=C1C[C@@H](c2n[n-]c(=S)o2)CN1c1ccc(Cl)cc1 ZINC000007615727 170294236 /nfs/dbraw/zinc/29/42/36/170294236.db2.gz IZIVVLIXQRXJBZ-SSDOTTSWSA-N -1 0 295.751 2.532 50 0 CFAARM COc1ccc(C2=NN[C@H](c3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000008474138 170337447 /nfs/dbraw/zinc/33/74/47/170337447.db2.gz KSMIWURJJSWMKE-HNNXBMFYSA-N -1 0 296.326 2.832 50 0 CFAARM CC[C@H](C)Sc1nc([O-])cc(=O)n1-c1ccccc1 ZINC000008572943 170341453 /nfs/dbraw/zinc/34/14/53/170341453.db2.gz FXVTVSOUVXVCNW-JTQLQIEISA-N -1 0 276.361 2.829 50 0 CFAARM O=c1[n-]c(NC2CCCCC2)nnc1Cc1ccccc1 ZINC000008666487 170344911 /nfs/dbraw/zinc/34/49/11/170344911.db2.gz ZWWXWDCWYUKXAM-UHFFFAOYSA-N -1 0 284.363 2.913 50 0 aggregator CFAARM CN(Cc1ccsc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000008707230 170348280 /nfs/dbraw/zinc/34/82/80/170348280.db2.gz XSQVEFKAXCEUFC-UHFFFAOYSA-N -1 0 291.401 2.678 50 0 CFAARM COc1ccccc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000009882408 170388274 /nfs/dbraw/zinc/38/82/74/170388274.db2.gz VYCADNJWDQKWPG-UHFFFAOYSA-N -1 0 291.734 2.984 50 0 CFAARM CC(C)(C)OC(=O)N1CCC[C@@H](CCCC(=O)[O-])C1 ZINC000012648667 170502513 /nfs/dbraw/zinc/50/25/13/170502513.db2.gz VOVUQUJJLJBFHB-LLVKDONJSA-N -1 0 271.357 2.888 50 0 CFAARM CC[C@H](C)[C@H](NC(=O)Nc1ccccc1C)C(=O)[O-] ZINC000012886863 170517004 /nfs/dbraw/zinc/51/70/04/170517004.db2.gz XUHDSEYJERLWFL-CABZTGNLSA-N -1 0 264.325 2.616 50 0 CFAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC000013225020 170540788 /nfs/dbraw/zinc/54/07/88/170540788.db2.gz YSYWLTBNPLBGLX-ZIAGYGMSSA-N -1 0 273.332 2.675 50 0 CFAARM O=C([O-])c1ccc2c(c1)ncn2Cc1ccccc1 ZINC000021516605 171312912 /nfs/dbraw/zinc/31/29/12/171312912.db2.gz RBFKLENWRJKDSC-UHFFFAOYSA-N -1 0 252.273 2.783 50 0 CFAARM CCCCNc1ncnc2sc(C(=O)[O-])c(C)c21 ZINC000021715869 171319454 /nfs/dbraw/zinc/31/94/54/171319454.db2.gz USYDYHWIVLQBDM-UHFFFAOYSA-N -1 0 265.338 2.910 50 0 CFAARM CCCCc1ncc(C=O)n1Cc1ccc(C(=O)[O-])cc1 ZINC000022006089 171348541 /nfs/dbraw/zinc/34/85/41/171348541.db2.gz QLMGJDCOKQGJKF-UHFFFAOYSA-N -1 0 286.331 2.785 50 0 in-vitro CFAARM CN(C(=O)/C=C\c1ccco1)c1ccccc1C(=O)[O-] ZINC000033858000 171822983 /nfs/dbraw/zinc/82/29/83/171822983.db2.gz UQUZWWBPTZIMKC-HJWRWDBZSA-N -1 0 271.272 2.654 50 0 CFAARM CCC[C@](C)(NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000035250459 172081572 /nfs/dbraw/zinc/08/15/72/172081572.db2.gz CIOGKEQCFUQKIF-AWEZNQCLSA-N -1 0 265.309 2.556 50 0 CFAARM CCCCCC(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000035287487 172105037 /nfs/dbraw/zinc/10/50/37/172105037.db2.gz JMXCMDVOSTZOLW-UHFFFAOYSA-N -1 0 251.282 2.609 50 0 CFAARM CSc1ncc(C(=O)[O-])c(NCC2CCCCC2)n1 ZINC000035287580 172105373 /nfs/dbraw/zinc/10/53/73/172105373.db2.gz BQFVQPWTFLTXKO-UHFFFAOYSA-N -1 0 281.381 2.889 50 0 CFAARM CCN(CC)c1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000036202825 172515135 /nfs/dbraw/zinc/51/51/35/172515135.db2.gz HYYKJJUUPBNXPB-UHFFFAOYSA-N -1 0 263.337 2.970 50 0 CFAARM CCCOc1cc(Br)ccc1C(=O)[O-] ZINC000037025619 172889370 /nfs/dbraw/zinc/88/93/70/172889370.db2.gz RDOBBDKYPTZFCM-UHFFFAOYSA-N -1 0 259.099 2.936 50 0 CFAARM O=C([O-])c1sc2cccc(F)c2c1Cn1cccn1 ZINC000037336395 173137598 /nfs/dbraw/zinc/13/75/98/173137598.db2.gz FAFJIVNWTUOGOA-UHFFFAOYSA-N -1 0 276.292 2.983 50 0 CFAARM O=C([O-])[C@@H]1C[C@@H]1c1ccc(Br)cc1F ZINC000037381119 173167630 /nfs/dbraw/zinc/16/76/30/173167630.db2.gz UUEUTHYNOREMBL-HTQZYQBOSA-N -1 0 259.074 2.776 50 0 CFAARM CCc1sc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1C ZINC000037410859 173187453 /nfs/dbraw/zinc/18/74/53/173187453.db2.gz NLSWVSPLVHSTGP-JTQLQIEISA-N -1 0 281.377 2.698 50 0 CFAARM O=C([O-])C1CCC(NC(=O)c2c(F)cccc2Cl)CC1 ZINC000037561271 173271010 /nfs/dbraw/zinc/27/10/10/173271010.db2.gz KDAOBKBSTVYEHR-UHFFFAOYSA-N -1 0 299.729 2.852 50 0 CFAARM Cc1ccc(C(=O)NC2CCC(C(=O)[O-])CC2)cc1C ZINC000037561264 173271176 /nfs/dbraw/zinc/27/11/76/173271176.db2.gz BZZPZDHEZQSGSO-UHFFFAOYSA-N -1 0 275.348 2.677 50 0 CFAARM O=C1[N-]C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)N1 ZINC000038201536 174136742 /nfs/dbraw/zinc/13/67/42/174136742.db2.gz MEVRZNJTQNZDNK-YRNVUSSQSA-N -1 0 288.690 2.780 50 0 CFAARM O=C([O-])c1n[nH]c(-c2ccccc2)c1Br ZINC000038342346 174140281 /nfs/dbraw/zinc/14/02/81/174140281.db2.gz KCHISGPERJZRFH-UHFFFAOYSA-N -1 0 267.082 2.537 50 0 CFAARM COc1ccc(OC(F)(F)F)cc1/C=C/C(=O)[O-] ZINC000038530001 174144292 /nfs/dbraw/zinc/14/42/92/174144292.db2.gz XFIOOWSZDHARSN-GORDUTHDSA-N -1 0 262.183 2.692 50 0 CFAARM O=C([O-])[C@H](CNC(=O)c1ccc(Cl)s1)C1CCC1 ZINC000663148521 414655479 /nfs/dbraw/zinc/65/54/79/414655479.db2.gz URGNHQIUMCBTAU-MRVPVSSYSA-N -1 0 287.768 2.632 50 0 CFAARM O=S(=O)([N-]c1ccc(F)cc1)c1c[nH]c2ncccc12 ZINC000040556330 174330972 /nfs/dbraw/zinc/33/09/72/174330972.db2.gz IMPUIAZZTFMPNC-UHFFFAOYSA-N -1 0 291.307 2.503 50 0 CFAARM Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)s1 ZINC000043583641 175070427 /nfs/dbraw/zinc/07/04/27/175070427.db2.gz VJZPGGYTYCDKKV-LLVKDONJSA-N -1 0 281.377 2.774 50 0 CFAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(F)ccc2F)C1 ZINC000043583693 175070584 /nfs/dbraw/zinc/07/05/84/175070584.db2.gz PIJNCHMJDDPLTF-SNVBAGLBSA-N -1 0 297.301 2.682 50 0 CFAARM CC1CCC(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000049992032 175506310 /nfs/dbraw/zinc/50/63/10/175506310.db2.gz FBGMUFZAKUYSRD-PESDSKBTSA-N -1 0 289.375 2.625 50 0 CFAARM O=C([O-])C[C@@H](CC(=O)NCc1ccccc1)c1ccccc1 ZINC000057626862 175601023 /nfs/dbraw/zinc/60/10/23/175601023.db2.gz GIKAGDBEJFHVFX-MRXNPFEDSA-N -1 0 297.354 2.951 50 0 CFAARM CCCc1cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)sc1C ZINC000062118340 175664052 /nfs/dbraw/zinc/66/40/52/175664052.db2.gz ROYBEFIJRWOQHZ-LLVKDONJSA-N -1 0 281.377 2.556 50 0 CFAARM Cc1nc2cc(OCc3nc(C(=O)[O-])co3)ccc2s1 ZINC000067804804 175793911 /nfs/dbraw/zinc/79/39/11/175793911.db2.gz VFFFSOQYRBUVFP-UHFFFAOYSA-N -1 0 290.300 2.870 50 0 CFAARM COCc1nn2c(ncc(C(=O)[O-])c2C)c1-c1ccccc1 ZINC000071279419 176108277 /nfs/dbraw/zinc/10/82/77/176108277.db2.gz GRUOLVKHXBFFER-UHFFFAOYSA-N -1 0 297.314 2.549 50 0 CFAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cnc2ccccc2c1 ZINC000071282976 176109362 /nfs/dbraw/zinc/10/93/62/176109362.db2.gz SZIDPWDURJYXTN-OLZOCXBDSA-N -1 0 284.315 2.530 50 0 CFAARM CC(C)(C)c1[n-][nH]c(=O)c1C(=O)Nc1ccccc1 ZINC000071289280 176110671 /nfs/dbraw/zinc/11/06/71/176110671.db2.gz CSOUDBWQGJWQEK-UHFFFAOYSA-N -1 0 259.309 2.665 50 0 CFAARM CCCC(=O)N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072151098 176327505 /nfs/dbraw/zinc/32/75/05/176327505.db2.gz PBDMCWGBRJPVDY-CYBMUJFWSA-N -1 0 275.348 2.576 50 0 CFAARM CC[C@@H](C)Cc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000077470722 177271901 /nfs/dbraw/zinc/27/19/01/177271901.db2.gz FLOLBIXGHSTVRB-SNVBAGLBSA-N -1 0 271.320 2.825 50 0 CFAARM CC(=O)c1c([O-])c2c3n(c1=O)-c1ccccc1[C@@]3(C)CCC2 ZINC000006493010 277102786 /nfs/dbraw/zinc/10/27/86/277102786.db2.gz MBHMQEBMCORMDE-GOSISDBHSA-N -1 0 295.338 2.701 50 0 CFAARM C/C(=C\[C@@H]1CC[C@@H](C)[C@@H]2C1=C(C)C[C@H]2O)C(=O)[O-] ZINC000017263716 277730386 /nfs/dbraw/zinc/73/03/86/277730386.db2.gz XJNQXTISSHEQKD-UNXUOHHUSA-N -1 0 250.338 2.761 50 0 biogenic,in-vitro CFAARM CC(C)(C)OC(=O)N1CCC(c2n[n-]c(=S)o2)CC1 ZINC000007952240 278382845 /nfs/dbraw/zinc/38/28/45/278382845.db2.gz DPIGHPFYIMFVKU-UHFFFAOYSA-N -1 0 285.369 2.847 50 0 CFAARM CC(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000005027162 280017123 /nfs/dbraw/zinc/01/71/23/280017123.db2.gz DYFYZGAIKLZWSA-XPUUQOCRSA-N -1 0 277.246 2.525 50 0 CFAARM CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000005027160 280029282 /nfs/dbraw/zinc/02/92/82/280029282.db2.gz DYFYZGAIKLZWSA-POYBYMJQSA-N -1 0 277.246 2.525 50 0 CFAARM Cc1c([O-])c(-c2cc[nH]n2)cc2c3c(c(=O)oc12)CCC3 ZINC000013729293 280250364 /nfs/dbraw/zinc/25/03/64/280250364.db2.gz IJWHNGKBLMSSCQ-UHFFFAOYSA-N -1 0 282.299 2.686 50 0 CFAARM CC1=C(C)C[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]2C1 ZINC000102526817 281663571 /nfs/dbraw/zinc/66/35/71/281663571.db2.gz UHXWHRNGFPWGBE-OKILXGFUSA-N -1 0 299.326 2.621 50 0 CFAARM CCc1nc(C(=O)[O-])nn1-c1c(Cl)cccc1Cl ZINC000036879775 288617205 /nfs/dbraw/zinc/61/72/05/288617205.db2.gz LDWSTIABOAHMJC-UHFFFAOYSA-N -1 0 286.118 2.835 50 0 CFAARM COc1ccc(C(=O)Nc2cccc(C)c2C(=O)[O-])cc1 ZINC000000367700 295098727 /nfs/dbraw/zinc/09/87/27/295098727.db2.gz BKECFGDNPCKWPB-UHFFFAOYSA-N -1 0 285.299 2.954 50 0 CFAARM COc1ccc(C)c2c1N(CCCC(=O)[O-])CCC2 ZINC000159679631 295102372 /nfs/dbraw/zinc/10/23/72/295102372.db2.gz FAXBSFQFNOTTNO-UHFFFAOYSA-N -1 0 263.337 2.621 50 0 CFAARM COc1ccc(OCC(F)(F)C(F)F)c(C(=O)[O-])c1 ZINC000302704902 295185472 /nfs/dbraw/zinc/18/54/72/295185472.db2.gz WSAYEIZIRXBWGE-UHFFFAOYSA-N -1 0 282.189 2.673 50 0 CFAARM COc1cccc([C@@H]2OC(=O)c3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000002585587 295320477 /nfs/dbraw/zinc/32/04/77/295320477.db2.gz HCMLUJXUFZVVMR-GJZGRUSLSA-N -1 0 298.294 2.775 50 0 CFAARM Nc1c(C(=O)[O-])cnc2c1cccc2C(F)(F)F ZINC000040169755 295345941 /nfs/dbraw/zinc/34/59/41/295345941.db2.gz AFLZKGMZZBXNDQ-UHFFFAOYSA-N -1 0 256.183 2.534 50 0 CFAARM C[C@H]1CN(C(=O)C2(C(=O)[O-])CC2)CC[C@H]1c1ccccc1 ZINC000154931972 300108867 /nfs/dbraw/zinc/10/88/67/300108867.db2.gz UCMROHZYIYSEMK-GXTWGEPZSA-N -1 0 287.359 2.503 50 0 CFAARM Cc1cc(O)cc2c1O[C@@](C)(CCC(=O)[O-])CC2 ZINC000095573679 301370745 /nfs/dbraw/zinc/37/07/45/301370745.db2.gz BNVXCCQXUZCRSR-CQSZACIVSA-N -1 0 250.294 2.649 50 0 in-vitro CFAARM Cc1cccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)c1 ZINC000012504993 301936358 /nfs/dbraw/zinc/93/63/58/301936358.db2.gz IFDRKBOTQQUOKG-UHFFFAOYSA-N -1 0 270.210 2.898 50 0 CFAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC1(C(=O)[O-])CCCC1 ZINC000097035384 302308371 /nfs/dbraw/zinc/30/83/71/302308371.db2.gz YMALJUOQKHEPJQ-MNOVXSKESA-N -1 0 293.388 2.674 50 0 CFAARM Cc1nn(C)c(Cl)c1-c1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000067895840 302781244 /nfs/dbraw/zinc/78/12/44/302781244.db2.gz PSWFAVPOKGETDA-UHFFFAOYSA-N -1 0 290.710 2.623 50 0 CFAARM Cc1[n-]n2c(nc(C)cc2=O)c1-c1ccccc1Cl ZINC000009452557 302807549 /nfs/dbraw/zinc/80/75/49/302807549.db2.gz UGENBWLWUAOLEJ-UHFFFAOYSA-N -1 0 273.723 2.960 50 0 CFAARM Cn1nc(C(=O)[O-])cc1-c1ccc(Br)cc1 ZINC000011801832 303043018 /nfs/dbraw/zinc/04/30/18/303043018.db2.gz ZFVFEYIMUBPCCM-UHFFFAOYSA-N -1 0 281.109 2.548 50 0 CFAARM CC(C)COc1ccccc1-c1cnn(CC(=O)[O-])c1 ZINC000534583203 328312719 /nfs/dbraw/zinc/31/27/19/328312719.db2.gz FCDWSDDQJAHOOV-UHFFFAOYSA-N -1 0 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170941934 /nfs/dbraw/zinc/94/19/34/170941934.db2.gz GDEGXHMHFRQASB-UHFFFAOYSA-N -1 0 264.397 2.607 50 0 CFAARM CSc1ncc(C(=O)[O-])c(Nc2ccc(C)cc2)n1 ZINC000020385557 171175743 /nfs/dbraw/zinc/17/57/43/171175743.db2.gz BLPDCHRUEBNPNH-UHFFFAOYSA-N -1 0 275.333 2.949 50 0 CFAARM O=C([O-])COc1cc(C(F)(F)F)ccc1Cl ZINC000020435715 171201188 /nfs/dbraw/zinc/20/11/88/171201188.db2.gz IQWHBGOSLVNJOS-UHFFFAOYSA-N -1 0 254.591 2.822 50 0 CFAARM COc1cccc(-c2cc(C(=O)[O-])c3c(C)noc3n2)c1 ZINC000020605638 171267091 /nfs/dbraw/zinc/26/70/91/171267091.db2.gz SKQFCUWDGACFKI-UHFFFAOYSA-N -1 0 284.271 2.905 50 0 CFAARM O=C([O-])c1ccc(C[S@@](=O)c2ccccc2Cl)o1 ZINC000021714252 171319405 /nfs/dbraw/zinc/31/94/05/171319405.db2.gz OTIFSWMXZXWQFC-SFHVURJKSA-N -1 0 284.720 2.939 50 0 CFAARM O=C([O-])c1ccc(NC(=O)Cc2noc3ccccc23)cc1 ZINC000022166966 171366196 /nfs/dbraw/zinc/36/61/96/171366196.db2.gz RLJZQMICRMIODC-UHFFFAOYSA-N -1 0 296.282 2.707 50 0 CFAARM C[C@H](C1CC1)n1ncc2c1nc(C1CC1)cc2C(=O)[O-] ZINC000022220489 171377841 /nfs/dbraw/zinc/37/78/41/171377841.db2.gz FUBSOULSLMXLJM-MRVPVSSYSA-N -1 0 271.320 2.978 50 0 CFAARM O=C([O-])[C@H]1CCCN1Cc1ncc(-c2ccc(F)cc2)o1 ZINC000035302447 172116940 /nfs/dbraw/zinc/11/69/40/172116940.db2.gz ABWPRUVGQQTHEP-GFCCVEGCSA-N -1 0 290.294 2.530 50 0 CFAARM CCCC[C@@H](NC(=O)Nc1cccc(C)c1)C(=O)[O-] ZINC000035410667 172181857 /nfs/dbraw/zinc/18/18/57/172181857.db2.gz CJBXNOOWQJNMGZ-GFCCVEGCSA-N -1 0 264.325 2.760 50 0 CFAARM COc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1F ZINC000035424065 172192818 /nfs/dbraw/zinc/19/28/18/172192818.db2.gz WEKIZZGUBCBQKN-UHFFFAOYSA-N -1 0 274.247 2.764 50 0 CFAARM CCCc1cc(C(=O)N2CCC[C@H]2C(=O)[O-])sc1C ZINC000037410428 173186876 /nfs/dbraw/zinc/18/68/76/173186876.db2.gz IVAFTNAOYBOLPL-NSHDSACASA-N -1 0 281.377 2.698 50 0 CFAARM CCc1ccc(C(=O)N(C)c2ccccc2C(=O)[O-])o1 ZINC000037435817 173206794 /nfs/dbraw/zinc/20/67/94/173206794.db2.gz SJTOCLNWHIXQHU-UHFFFAOYSA-N -1 0 273.288 2.817 50 0 CFAARM O=C([O-])c1ccc(Sc2ccccc2Cl)nn1 ZINC000037527330 173251450 /nfs/dbraw/zinc/25/14/50/173251450.db2.gz VHJHSTSBPHUOMQ-UHFFFAOYSA-N -1 0 266.709 2.979 50 0 CFAARM O=C([O-])C1CCC(NC(=O)CC2CCCCC2)CC1 ZINC000037561611 173271804 /nfs/dbraw/zinc/27/18/04/173271804.db2.gz IJAIKLQYPUEBME-UHFFFAOYSA-N -1 0 267.369 2.716 50 0 CFAARM O=C([O-])c1ccc(OCC(=O)c2cccs2)cc1 ZINC000038478301 174142270 /nfs/dbraw/zinc/14/22/70/174142270.db2.gz LUDSYNNMTPXJNW-UHFFFAOYSA-N -1 0 262.286 2.708 50 0 CFAARM O=C([O-])Cc1ccc(OC(F)(F)F)c(Cl)c1 ZINC000038530084 174144069 /nfs/dbraw/zinc/14/40/69/174144069.db2.gz MYYLIFIHZIRCPZ-UHFFFAOYSA-N -1 0 254.591 2.866 50 0 CFAARM C[C@@H](O)C[C@H](Sc1ccc2ccccc2n1)C(=O)[O-] ZINC000040051460 174185202 /nfs/dbraw/zinc/18/52/02/174185202.db2.gz XMHBBOIBJYRQDN-SKDRFNHKSA-N -1 0 277.345 2.551 50 0 CFAARM COc1ccccc1-c1cc(C(=O)[O-])c2c(C)[nH]nc2n1 ZINC000040267757 174218307 /nfs/dbraw/zinc/21/83/07/174218307.db2.gz MXJNWMGAQNERPG-UHFFFAOYSA-N -1 0 283.287 2.640 50 0 CFAARM C[C@H](CC(=O)c1cccc(Br)c1)C(=O)[O-] ZINC000041392877 174545901 /nfs/dbraw/zinc/54/59/01/174545901.db2.gz ZDMLMHSWGFMFHO-SSDOTTSWSA-N -1 0 271.110 2.743 50 0 CFAARM CCc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000043583646 175070542 /nfs/dbraw/zinc/07/05/42/175070542.db2.gz FFBXJMSFOHIAEH-CQSZACIVSA-N -1 0 289.375 2.966 50 0 CFAARM COc1ccccc1C(=O)C[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000043879054 175116095 /nfs/dbraw/zinc/11/60/95/175116095.db2.gz QSAJDDGOAPGXOV-WDEREUQCSA-N -1 0 262.305 2.769 50 0 CFAARM CN(C(=O)OC(C)(C)C)c1cccc(C(=O)[O-])c1 ZINC000044857665 175266315 /nfs/dbraw/zinc/26/63/15/175266315.db2.gz WKBGXDWFIPYTBR-UHFFFAOYSA-N -1 0 251.282 2.756 50 0 CFAARM CCCCN(C)c1ccc(NC(C)=O)cc1C(=O)[O-] ZINC000046053319 175390996 /nfs/dbraw/zinc/39/09/96/175390996.db2.gz DEOXROTWUNYOLL-UHFFFAOYSA-N -1 0 264.325 2.580 50 0 CFAARM Cc1ccc(C(=O)N[C@@H](C)CCC(=O)[O-])cc1Cl ZINC000070310722 175887044 /nfs/dbraw/zinc/88/70/44/175887044.db2.gz MTOOQVMOAAXFNR-VIFPVBQESA-N -1 0 269.728 2.632 50 0 CFAARM CCc1cccc(-n2nnc(C(=O)[O-])c2-c2ccccn2)c1 ZINC000071327489 176123815 /nfs/dbraw/zinc/12/38/15/176123815.db2.gz RJZRRIYRIQUOEJ-UHFFFAOYSA-N -1 0 294.314 2.590 50 0 CFAARM Cc1ccc(NC(=O)[C@H]2CC[C@H](C(=O)[O-])C2)cc1C ZINC000071405214 176155253 /nfs/dbraw/zinc/15/52/53/176155253.db2.gz IRASFFDIGLTBKR-RYUDHWBXSA-N -1 0 261.321 2.743 50 0 CFAARM CCCCc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000071730414 176256080 /nfs/dbraw/zinc/25/60/80/176256080.db2.gz CYGDVRQREDVMNK-UHFFFAOYSA-N -1 0 257.293 2.579 50 0 CFAARM CNc1cc(-c2cccc(C(=O)[O-])c2)c2cc[nH]c2n1 ZINC000072158196 176329136 /nfs/dbraw/zinc/32/91/36/176329136.db2.gz VMKIXQBKJCKYPB-UHFFFAOYSA-N -1 0 267.288 2.970 50 0 CFAARM CSCc1cccc(S(=O)(=O)[N-]c2cc(C)on2)c1 ZINC000072240360 176348098 /nfs/dbraw/zinc/34/80/98/176348098.db2.gz WKKBBIYKDCRELC-UHFFFAOYSA-N -1 0 298.389 2.647 50 0 CFAARM Cn1ccc2c1nccc2-c1cccc(CC(=O)[O-])c1 ZINC000072408828 176398437 /nfs/dbraw/zinc/39/84/37/176398437.db2.gz GHLMNFRHWGPQFU-UHFFFAOYSA-N -1 0 266.300 2.867 50 0 CFAARM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)OCc1ccccc1 ZINC000077011679 177147057 /nfs/dbraw/zinc/14/70/57/177147057.db2.gz WHBWAWHXIPKUMC-AAEUAGOBSA-N -1 0 277.320 2.508 50 0 CFAARM CC[C@H](C)Cc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000077470723 177271727 /nfs/dbraw/zinc/27/17/27/177271727.db2.gz FLOLBIXGHSTVRB-JTQLQIEISA-N -1 0 271.320 2.825 50 0 CFAARM Cc1cccc2cc(C=O)c(SCC(=O)[O-])nc12 ZINC000002842825 260010388 /nfs/dbraw/zinc/01/03/88/260010388.db2.gz UCMZLOGYWUHETG-UHFFFAOYSA-N -1 0 261.302 2.532 50 0 CFAARM CCc1cc2c(ncnc2N[C@@H](C(=O)[O-])C(C)C)s1 ZINC000000472851 260920541 /nfs/dbraw/zinc/92/05/41/260920541.db2.gz ZAROJAQKUIDXDM-SNVBAGLBSA-N -1 0 279.365 2.775 50 0 CFAARM C[C@H]1CCc2sc3[n-]c(=S)[nH]c(=O)c3c2C1 ZINC000020100260 278390977 /nfs/dbraw/zinc/39/09/77/278390977.db2.gz QZQYRKVEYFINOS-YFKPBYRVSA-N -1 0 252.364 2.772 50 0 CFAARM CC(C)(C)OC(=O)N[C@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC000044154426 278444467 /nfs/dbraw/zinc/44/44/67/278444467.db2.gz FYZOMAOEKLIUIA-OAHLLOKOSA-N -1 0 297.326 2.736 50 0 CFAARM CC(C)(C)c1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1 ZINC000037731491 278560584 /nfs/dbraw/zinc/56/05/84/278560584.db2.gz AOCXLMBOVXFXFU-UHFFFAOYSA-N -1 0 279.365 2.508 50 0 CFAARM CC(C)(CNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)C(=O)[O-] ZINC000095970739 278618990 /nfs/dbraw/zinc/61/89/90/278618990.db2.gz MIGFUJSBVCMTEH-GHMZBOCLSA-N -1 0 295.766 2.671 50 0 CFAARM CC(C)(CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)C(=O)[O-] ZINC000095970741 278619047 /nfs/dbraw/zinc/61/90/47/278619047.db2.gz MIGFUJSBVCMTEH-WDEREUQCSA-N -1 0 295.766 2.671 50 0 CFAARM CC(C)Oc1cc(Br)cc(C(=O)[O-])c1 ZINC000065337002 279718645 /nfs/dbraw/zinc/71/86/45/279718645.db2.gz NJBLBPFZZDTKTM-UHFFFAOYSA-N -1 0 259.099 2.935 50 0 CFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3cc(F)ccc3o2)C1 ZINC000136150066 280781544 /nfs/dbraw/zinc/78/15/44/280781544.db2.gz VPBOVSZSXKPASG-SECBINFHSA-N -1 0 291.278 2.509 50 0 CFAARM CC1(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)CCCC1 ZINC000069459193 280865612 /nfs/dbraw/zinc/86/56/12/280865612.db2.gz QKCFZLWMRFEOPS-UHFFFAOYSA-N -1 0 287.319 2.549 50 0 CFAARM CC1=C(C)C[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@H]2C1 ZINC000018149134 281663616 /nfs/dbraw/zinc/66/36/16/281663616.db2.gz UHXWHRNGFPWGBE-KBPBESRZSA-N -1 0 299.326 2.621 50 0 CFAARM Cc1nc(-c2cccc3cnccc32)c(Cl)c(=O)[n-]1 ZINC000216099439 293155345 /nfs/dbraw/zinc/15/53/45/293155345.db2.gz ACBXSKYFQQMJOM-UHFFFAOYSA-N -1 0 271.707 2.947 50 0 CFAARM COc1ccc(-c2csc3[nH]c(=O)cc([O-])c23)cc1 ZINC000057327509 295048035 /nfs/dbraw/zinc/04/80/35/295048035.db2.gz IHANONVDQBHZGF-UHFFFAOYSA-N -1 0 273.313 2.971 50 0 CFAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl ZINC000262250990 298209812 /nfs/dbraw/zinc/20/98/12/298209812.db2.gz ZIMCLVPMNCMLFK-HLTSFMKQSA-N -1 0 299.729 2.514 50 0 CFAARM C[C@H](CN(Cc1ccccc1)C(=O)c1ccco1)C(=O)[O-] ZINC000071730163 298518448 /nfs/dbraw/zinc/51/84/48/298518448.db2.gz VDGRMQOIAAKOHL-GFCCVEGCSA-N -1 0 287.315 2.643 50 0 CFAARM C[C@H](NC(=O)CCCC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004894197 299043802 /nfs/dbraw/zinc/04/38/02/299043802.db2.gz ARMYZRCRUKUOQM-GVMDUPDNSA-N -1 0 293.407 2.962 50 0 CFAARM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])o2)c2ccccc21 ZINC000237643605 300191177 /nfs/dbraw/zinc/19/11/77/300191177.db2.gz XLUAPWYSYSNDIV-VIFPVBQESA-N -1 0 271.272 2.742 50 0 CFAARM Cc1c(F)cccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000000620308 300968372 /nfs/dbraw/zinc/96/83/72/300968372.db2.gz POGRGRXDFQZCOA-WDEREUQCSA-N -1 0 279.311 2.964 50 0 CFAARM Cc1cc(C(=O)[O-])c2c(n1)onc2-c1ccccc1 ZINC000012394291 301151783 /nfs/dbraw/zinc/15/17/83/301151783.db2.gz HKDDIQAZXUABSV-UHFFFAOYSA-N -1 0 254.245 2.896 50 0 CFAARM Cc1cc(C)c(C)c(C(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000055283773 301173958 /nfs/dbraw/zinc/17/39/58/301173958.db2.gz MJOVHBAHCAXGKB-UHFFFAOYSA-N -1 0 289.375 2.857 50 0 CFAARM Cc1cc(Nc2cc(C(=O)[O-])ccc2C)nc(C)n1 ZINC000011907743 301365753 /nfs/dbraw/zinc/36/57/53/301365753.db2.gz ADVCNTXYIOLPAF-UHFFFAOYSA-N -1 0 257.293 2.844 50 0 CFAARM Cc1ccc(F)c(-n2nc(C(=O)[O-])c3c2CCC3)c1 ZINC000020475921 301602979 /nfs/dbraw/zinc/60/29/79/301602979.db2.gz TWUOGMWQTGNMMB-UHFFFAOYSA-N -1 0 260.268 2.507 50 0 CFAARM Cc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1C ZINC000000126632 301624359 /nfs/dbraw/zinc/62/43/59/301624359.db2.gz ZXKKQWJCKYOQMO-UHFFFAOYSA-N -1 0 295.294 2.802 50 0 CFAARM Cc1cccc(C)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004134014 301975735 /nfs/dbraw/zinc/97/57/35/301975735.db2.gz PVYMNIJDLNZWFT-QWHCGFSZSA-N -1 0 273.332 2.909 50 0 CFAARM Cc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C ZINC000004824813 302003530 /nfs/dbraw/zinc/00/35/30/302003530.db2.gz WDGOQMYGRVCEDO-OLZOCXBDSA-N -1 0 273.332 2.909 50 0 CFAARM Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)[O-] ZINC000021781900 302726142 /nfs/dbraw/zinc/72/61/42/302726142.db2.gz WUPADEIIORVEFI-UHFFFAOYSA-N -1 0 285.278 2.809 50 0 CFAARM Cn1ccc2c1nccc2-c1ncc(C(=O)[O-])cc1Cl ZINC000077353508 302956489 /nfs/dbraw/zinc/95/64/89/302956489.db2.gz NTRDWZVFOCTKFE-UHFFFAOYSA-N -1 0 287.706 2.987 50 0 CFAARM 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371958936 /nfs/dbraw/zinc/95/89/36/371958936.db2.gz ONNRBDLWGMHYSM-UHFFFAOYSA-N -1 0 296.330 2.762 50 0 CFAARM O=C(NCc1ccco1)c1ccc([O-])c(Cl)c1 ZINC000012912341 371997931 /nfs/dbraw/zinc/99/79/31/371997931.db2.gz AWMYZRSADRJLKJ-UHFFFAOYSA-N -1 0 251.669 2.569 50 0 CFAARM CC(C)c1n[n-]c(=S)n1-c1ccc2c(c1)OCO2 ZINC000012324316 371952825 /nfs/dbraw/zinc/95/28/25/371952825.db2.gz OWTDNTIAVQUDRM-UHFFFAOYSA-N -1 0 263.322 2.782 50 0 CFAARM Cc1ccc(Cc2n[n-]c(NC3CCCCC3)nc2=O)cc1 ZINC000012347647 371953005 /nfs/dbraw/zinc/95/30/05/371953005.db2.gz WCEJESOJICLWDL-UHFFFAOYSA-N -1 0 298.390 2.809 50 0 CFAARM COc1ccc([S@](=O)c2ccccc2C(=O)[O-])cc1 ZINC000012367582 371954791 /nfs/dbraw/zinc/95/47/91/371954791.db2.gz JUPRMFFMLYDHOW-LJQANCHMSA-N -1 0 276.313 2.560 50 0 CFAARM C[C@H](CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000013170731 372018748 /nfs/dbraw/zinc/01/87/48/372018748.db2.gz HCWBUTMLHCFXFB-TZMCWYRMSA-N -1 0 275.348 2.503 50 0 CFAARM Cc1ccc(CC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013261568 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ZINC000084146485 540195680 /nfs/dbraw/zinc/19/56/80/540195680.db2.gz CKVHFJDPUXIHOJ-VOTSOKGWSA-N -1 0 277.320 2.587 50 0 CFAARM O=C([O-])CC[C@H]1CCCCN1C(=O)C[C@@H]1C=CCC1 ZINC000050921498 304062023 /nfs/dbraw/zinc/06/20/23/304062023.db2.gz YTZTXSMQMBTFPL-CHWSQXEVSA-N -1 0 265.353 2.589 50 0 CFAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(c2ccnc(C)n2)C1 ZINC000092065084 535371798 /nfs/dbraw/zinc/37/17/98/535371798.db2.gz XIUGDUFOEISLMT-INIZCTEOSA-N -1 0 289.379 2.813 50 0 CFAARM CCc1onc(-c2cccnc2Cl)c1C(=O)[O-] ZINC000675057338 540643541 /nfs/dbraw/zinc/64/35/41/540643541.db2.gz BWEBTURONQMCMG-UHFFFAOYSA-N -1 0 252.657 2.651 50 0 CFAARM CC(C)Cc1onc(-c2cncs2)c1C(=O)[O-] ZINC000675058286 540644632 /nfs/dbraw/zinc/64/46/32/540644632.db2.gz ZSUZCYGKVPOUFQ-UHFFFAOYSA-N -1 0 252.295 2.695 50 0 CFAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000178667215 189135572 /nfs/dbraw/zinc/13/55/72/189135572.db2.gz MTMLJKDURAQIQN-ZDUSSCGKSA-N -1 0 298.342 2.619 50 0 CFAARM O=C([O-])[C@H]1CCN(C(=O)C2CC=CC2)c2ccccc21 ZINC000167133816 540969087 /nfs/dbraw/zinc/96/90/87/540969087.db2.gz MAXYEVJAHSVPFI-ZDUSSCGKSA-N -1 0 271.316 2.558 50 0 CFAARM C[C@@H](CN(C)c1ncc(Cl)cc1Cl)C(=O)[O-] ZINC000261723147 540982163 /nfs/dbraw/zinc/98/21/63/540982163.db2.gz LIAUTPDAKYMZQJ-LURJTMIESA-N -1 0 263.124 2.545 50 0 CFAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cccs1 ZINC000094743155 304101337 /nfs/dbraw/zinc/10/13/37/304101337.db2.gz BKYWGQRDNVOVQW-ZJUUUORDSA-N -1 0 267.350 2.511 50 0 CFAARM C[C@@H](NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2)C(=O)[O-] ZINC000004168870 296040609 /nfs/dbraw/zinc/04/06/09/296040609.db2.gz NLPKFDZRZJUYRM-INJVKGPASA-N -1 0 293.407 2.962 50 0 CFAARM O=C([O-])[C@@H]1CCCN1C(=O)C[C@H]1CCCc2ccccc21 ZINC000238067960 304111766 /nfs/dbraw/zinc/11/17/66/304111766.db2.gz JMPOYQAHIQWMTL-HIFRSBDPSA-N -1 0 287.359 2.572 50 0 CFAARM CC(C)(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000195541348 189677714 /nfs/dbraw/zinc/67/77/14/189677714.db2.gz FBEMDBQASAMVGH-CYBMUJFWSA-N -1 0 289.375 2.678 50 0 CFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cc1cccs1 ZINC000022212822 304146947 /nfs/dbraw/zinc/14/69/47/304146947.db2.gz RGNBFNJEPKHWCH-WXHSDQCUSA-N -1 0 293.388 2.535 50 0 CFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccsc1 ZINC000022146384 304147771 /nfs/dbraw/zinc/14/77/71/304147771.db2.gz CPTGSPNDGGJTPX-USWWRNFRSA-N -1 0 279.361 2.606 50 0 CFAARM CCCc1nc(N2CCCCCC2)ncc1C(=O)[O-] ZINC000043558166 284122450 /nfs/dbraw/zinc/12/24/50/284122450.db2.gz CENDXEQKJCCAJY-UHFFFAOYSA-N -1 0 263.341 2.508 50 0 CFAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(Cl)o1 ZINC000252338839 304149292 /nfs/dbraw/zinc/14/92/92/304149292.db2.gz GLIRJSWAKDYESD-BBBLOLIVSA-N -1 0 297.738 2.791 50 0 CFAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1 ZINC000000038520 371513993 /nfs/dbraw/zinc/51/39/93/371513993.db2.gz RRONHWAVOYADJL-OAHLLOKOSA-N -1 0 299.326 2.609 50 0 biogenic,in-vitro CFAARM O=C([O-])CCCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000000040621 371515756 /nfs/dbraw/zinc/51/57/56/371515756.db2.gz GNKXIAZBHBCPTA-UHFFFAOYSA-N -1 0 291.225 2.779 50 0 CFAARM CC(=O)Oc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000000051553 371517281 /nfs/dbraw/zinc/51/72/81/371517281.db2.gz HBZFIMUWJHUZLR-UHFFFAOYSA-N -1 0 299.282 2.562 50 0 CFAARM O=C([O-])[C@@H]1CS[C@H](c2cccc(Cl)c2Cl)N1 ZINC000000070055 371521641 /nfs/dbraw/zinc/52/16/41/371521641.db2.gz FSJLLKDTVQKJBN-IONNQARKSA-N -1 0 278.160 2.782 50 0 CFAARM CC(C)c1ccc(NC(=S)NCCC(=O)[O-])cc1 ZINC000000090101 371528489 /nfs/dbraw/zinc/52/84/89/371528489.db2.gz XQOHNOXJKNDKIP-UHFFFAOYSA-N -1 0 266.366 2.571 50 0 CFAARM O=C([O-])c1ccc(COc2ccc3ccc(=O)oc3c2)o1 ZINC000000091019 371528810 /nfs/dbraw/zinc/52/88/10/371528810.db2.gz SMXZKICRHJNJNW-UHFFFAOYSA-N -1 0 286.239 2.663 50 0 CFAARM O=C([O-])c1ccccc1C(=O)OCc1ccccc1 ZINC000000097700 371529699 /nfs/dbraw/zinc/52/96/99/371529699.db2.gz XIKIUQUXDNHBFR-UHFFFAOYSA-N -1 0 256.257 2.742 50 0 in-vitro CFAARM COc1ccc(C(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000000123860 371535834 /nfs/dbraw/zinc/53/58/34/371535834.db2.gz FWDOQXWBHGKWRK-UHFFFAOYSA-N -1 0 271.272 2.646 50 0 CFAARM O=C([O-])CCNc1nc(C(F)(F)F)nc2ccccc21 ZINC000000151351 371543949 /nfs/dbraw/zinc/54/39/49/371543949.db2.gz KOTGFASVBWSAIT-UHFFFAOYSA-N -1 0 285.225 2.535 50 0 CFAARM O=C([O-])COc1ccc(OCc2ccccc2)cc1 ZINC000000156216 371545058 /nfs/dbraw/zinc/54/50/58/371545058.db2.gz VXMSXBVTUNOSLL-UHFFFAOYSA-N -1 0 258.273 2.729 50 0 CFAARM COC(=S)[N-]c1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000000172795 371550127 /nfs/dbraw/zinc/55/01/27/371550127.db2.gz ULYNWOLMGAATCZ-QWRGUYRKSA-N -1 0 280.393 2.643 50 0 CFAARM Cc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000000439754 371615152 /nfs/dbraw/zinc/61/51/52/371615152.db2.gz OCEVOKQSAMKYJY-CHWSQXEVSA-N -1 0 259.305 2.601 50 0 CFAARM Cc1cc(Br)ccc1NC(=O)CCC(=O)[O-] ZINC000000224351 371560669 /nfs/dbraw/zinc/56/06/69/371560669.db2.gz PHUOHCZHYKRVRT-UHFFFAOYSA-N -1 0 286.125 2.561 50 0 CFAARM O=C([O-])c1cccc(NC(=O)c2cccc(F)c2)c1 ZINC000000237473 371564582 /nfs/dbraw/zinc/56/45/82/371564582.db2.gz GHRLPZVLHBTJCX-UHFFFAOYSA-N -1 0 259.236 2.776 50 0 CFAARM COc1ccccc1-n1cnc2cc(C(=O)[O-])ccc21 ZINC000000266886 371572893 /nfs/dbraw/zinc/57/28/93/371572893.db2.gz SRWLCOROBOXDFJ-UHFFFAOYSA-N -1 0 268.272 2.732 50 0 CFAARM CCc1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000291435 371579727 /nfs/dbraw/zinc/57/97/27/371579727.db2.gz LHKPBRVLFORIKT-CHWSQXEVSA-N -1 0 273.332 2.855 50 0 CFAARM CCOc1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000307304 371584333 /nfs/dbraw/zinc/58/43/33/371584333.db2.gz BXMZZSHWSMMCFA-RYUDHWBXSA-N -1 0 289.331 2.691 50 0 CFAARM CCc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000450549 371618459 /nfs/dbraw/zinc/61/84/59/371618459.db2.gz WNWHAXWVEYGZNS-KBPBESRZSA-N -1 0 273.332 2.855 50 0 CFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1F ZINC000000398327 371605481 /nfs/dbraw/zinc/60/54/81/371605481.db2.gz OLNKCRIJIUDDAR-ZJUUUORDSA-N -1 0 265.284 2.655 50 0 CFAARM COc1ccc(C)cc1NC(=O)c1ccccc1C(=O)[O-] ZINC000000410318 371608604 /nfs/dbraw/zinc/60/86/04/371608604.db2.gz OHXANRVUSMNCDA-UHFFFAOYSA-N -1 0 285.299 2.954 50 0 CFAARM Cc1ccc(-c2nnc(SCCC(=O)[O-])o2)cc1 ZINC000000417810 371609807 /nfs/dbraw/zinc/60/98/07/371609807.db2.gz YTNTXWYECJBDIX-UHFFFAOYSA-N -1 0 264.306 2.612 50 0 CFAARM O=c1c2cc(Cl)ccc2[n-]c(=S)n1Cc1ccco1 ZINC000000425307 371611980 /nfs/dbraw/zinc/61/19/80/371611980.db2.gz VHEONRISYDAGIL-UHFFFAOYSA-N -1 0 292.747 2.980 50 0 CFAARM O=S(=O)(C=C([O-])c1ccccc1Cl)c1ccccc1 ZINC000001396962 371670538 /nfs/dbraw/zinc/67/05/38/371670538.db2.gz GWILMWAYGNPWOM-UHFFFAOYSA-N -1 0 294.759 2.997 50 0 CFAARM O=c1c2ccccc2nc(-c2ccccc2Cl)n1[O-] ZINC000001401792 371672051 /nfs/dbraw/zinc/67/20/51/371672051.db2.gz DGQIVAAUAZNPHM-UHFFFAOYSA-N -1 0 272.691 2.954 50 0 CFAARM Cc1c(F)cccc1[N-]S(=O)(=O)c1cccs1 ZINC000001426309 371673862 /nfs/dbraw/zinc/67/38/62/371673862.db2.gz DBQMPTWUDUNZBX-UHFFFAOYSA-N -1 0 271.338 2.996 50 0 CFAARM CC(C)(C)OC(=O)NC1(C(=O)[O-])CCCCCC1 ZINC000001433076 371675815 /nfs/dbraw/zinc/67/58/15/371675815.db2.gz JCLYWYJWZJDMKY-UHFFFAOYSA-N -1 0 257.330 2.689 50 0 CFAARM O=C([O-])C[C@H](CC(=O)Nc1ccccn1)c1ccccc1 ZINC000000543666 371638232 /nfs/dbraw/zinc/63/82/32/371638232.db2.gz GSCMLKCGCNHMEB-ZDUSSCGKSA-N -1 0 284.315 2.669 50 0 CFAARM O=C1[N-]C(=O)[C@@H](Nc2cccc3ccccc32)S1 ZINC000000969676 371653509 /nfs/dbraw/zinc/65/35/09/371653509.db2.gz LEKXGDDYFOAYFT-LBPRGKRZSA-N -1 0 258.302 2.561 50 0 CFAARM O=C([O-])CC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000002577442 371739189 /nfs/dbraw/zinc/73/91/89/371739189.db2.gz DDNMNEBAJNRCIR-CYBMUJFWSA-N -1 0 291.347 2.900 50 0 CFAARM O=C([O-])[C@@]1(O)c2ccccc2-c2ccc(Cl)cc21 ZINC000002036117 304165093 /nfs/dbraw/zinc/16/50/93/304165093.db2.gz SVOAUHHKPGKPQK-CQSZACIVSA-N -1 0 260.676 2.641 50 0 CFAARM CC[C@@H](C)[C@H](NC(=O)N[C@@H](C)CCCC(C)C)C(=O)[O-] ZINC000002156612 371716776 /nfs/dbraw/zinc/71/67/76/371716776.db2.gz SURRVFZMBMYYSO-AGIUHOORSA-N -1 0 286.416 3.000 50 0 CFAARM C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CCC(=O)[O-] ZINC000002269749 371721302 /nfs/dbraw/zinc/72/13/02/371721302.db2.gz AQPPQHDIEUWOQD-GFCCVEGCSA-N -1 0 275.348 2.679 50 0 CFAARM CCCC(CCC)(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002509835 371729715 /nfs/dbraw/zinc/72/97/15/371729715.db2.gz GMRIQSNBJUTETD-UHFFFAOYSA-N -1 0 259.346 2.935 50 0 CFAARM Cc1cc(C(=O)[O-])n(Cc2ccc(Cl)cc2)n1 ZINC000002520649 371730999 /nfs/dbraw/zinc/73/09/99/371730999.db2.gz PICZPZQVRBKDDZ-UHFFFAOYSA-N -1 0 250.685 2.591 50 0 CFAARM CC[C@@H](C)[C@@H](CC(=O)[O-])N1Cc2ccccc2C1=O ZINC000002513401 371731248 /nfs/dbraw/zinc/73/12/48/371731248.db2.gz LGTRRJUETOWDJI-ZWNOBZJWSA-N -1 0 261.321 2.532 50 0 CFAARM CCC(CC)[C@@H](CC(=O)[O-])N1Cc2ccccc2C1=O ZINC000002513400 371731470 /nfs/dbraw/zinc/73/14/70/371731470.db2.gz ACSPQRZSBZMWMA-CQSZACIVSA-N -1 0 275.348 2.922 50 0 CFAARM Cc1cc(C)n(Cc2cc(C(=O)[O-])c3ccccc3n2)n1 ZINC000002538908 371734590 /nfs/dbraw/zinc/73/45/90/371734590.db2.gz FDFSWSNDSXVJNV-UHFFFAOYSA-N -1 0 281.315 2.795 50 0 CFAARM O=C([O-])c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)o1 ZINC000002537853 371735029 /nfs/dbraw/zinc/73/50/29/371735029.db2.gz VTEMGYJUYLPYCG-UHFFFAOYSA-N -1 0 294.616 2.895 50 0 CFAARM Cc1ccc(Nc2ccc(N)cc2S(=O)(=O)[O-])cc1 ZINC000001683648 371697426 /nfs/dbraw/zinc/69/74/26/371697426.db2.gz SFRJKPJFXZQVIA-UHFFFAOYSA-N -1 0 278.333 2.568 50 0 CFAARM O=C([O-])c1cccnc1SCC(=O)c1ccccc1F ZINC000003321409 371791513 /nfs/dbraw/zinc/79/15/13/371791513.db2.gz LGBSJTGUNUXUMI-UHFFFAOYSA-N -1 0 291.303 2.894 50 0 CFAARM CCCCC(=O)NC(=S)Nc1cccc(C(=O)[O-])c1C ZINC000003000508 371769241 /nfs/dbraw/zinc/76/92/41/371769241.db2.gz JXNSDKVOSCLNMG-UHFFFAOYSA-N -1 0 294.376 2.696 50 0 CFAARM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000003307901 371788701 /nfs/dbraw/zinc/78/87/01/371788701.db2.gz OZJCEVYSEOQWDB-UHFFFAOYSA-N -1 0 299.298 2.774 50 0 CFAARM O=C([O-])C[C@H](c1ccccc1F)N1Cc2ccccc2C1=O ZINC000004085636 371831843 /nfs/dbraw/zinc/83/18/43/371831843.db2.gz WNQHDKVVLDTCQY-OAHLLOKOSA-N -1 0 299.301 2.998 50 0 CFAARM Cc1cc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1C(C)C ZINC000004105007 371831939 /nfs/dbraw/zinc/83/19/39/371831939.db2.gz GOWFBWXTLWDLEK-CHWSQXEVSA-N -1 0 261.321 2.778 50 0 CFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(Cl)c1C ZINC000003566133 371810546 /nfs/dbraw/zinc/81/05/46/371810546.db2.gz ABMSJKVRCZYROZ-UHFFFAOYSA-N -1 0 299.783 2.789 50 0 CFAARM Cc1nn(C)c(Oc2ccc(Cl)cc2)c1C(=O)[O-] ZINC000003883343 371822623 /nfs/dbraw/zinc/82/26/23/371822623.db2.gz IUBXHQJAWYBEDN-UHFFFAOYSA-N -1 0 266.684 2.872 50 0 CFAARM CC(C)[C@H](C(=O)[O-])N1C(=O)c2cccc3cccc(c32)C1=O ZINC000004017443 371827354 /nfs/dbraw/zinc/82/73/54/371827354.db2.gz XDIYHWBDLQWVEA-CQSZACIVSA-N -1 0 297.310 2.545 50 0 CFAARM COc1ccc2cc(-c3cc(C(=O)[O-])n[nH]3)ccc2c1 ZINC000004244824 371843665 /nfs/dbraw/zinc/84/36/65/371843665.db2.gz SAWHZXBIHVSQLY-UHFFFAOYSA-N -1 0 268.272 2.937 50 0 CFAARM CCc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1 ZINC000004433449 371857889 /nfs/dbraw/zinc/85/78/89/371857889.db2.gz FVPLIQCHYRECFC-UHFFFAOYSA-N -1 0 276.361 2.753 50 0 CFAARM CC(=O)c1ccc([O-])cc1OC(=O)c1ccccc1 ZINC000004656470 371869504 /nfs/dbraw/zinc/86/95/04/371869504.db2.gz PILOOBLTSNCOSG-UHFFFAOYSA-N -1 0 256.257 2.814 50 0 CFAARM CO[C@@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000004673418 371871718 /nfs/dbraw/zinc/87/17/18/371871718.db2.gz MONPIRQAWYDGGV-CQSZACIVSA-N -1 0 285.299 2.711 50 0 CFAARM O=Cc1c([O-])ccc2c(=O)c(-c3ccccc3)coc12 ZINC000011865144 371934691 /nfs/dbraw/zinc/93/46/91/371934691.db2.gz RAPVJUXPJKKNPL-UHFFFAOYSA-N -1 0 266.252 2.978 50 0 CFAARM Cc1nn(CC(=O)[O-])c2nccc(-c3ccc(F)cc3)c12 ZINC000012395280 371959162 /nfs/dbraw/zinc/95/91/62/371959162.db2.gz FTMYLQKWGKDTBG-UHFFFAOYSA-N -1 0 285.278 2.630 50 0 CFAARM Cc1cc(C(=O)[N-]c2nnc(C3CCCCC3)o2)on1 ZINC000012422474 371962456 /nfs/dbraw/zinc/96/24/56/371962456.db2.gz CCMJIUVJCXBROY-UHFFFAOYSA-N -1 0 276.296 2.666 50 0 CFAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000012560568 371975808 /nfs/dbraw/zinc/97/58/08/371975808.db2.gz AGUPVYMJDTXYRU-UHFFFAOYSA-N -1 0 292.360 2.508 50 0 CFAARM CC(C)(C)OC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000012648995 371979268 /nfs/dbraw/zinc/97/92/68/371979268.db2.gz KMTRFKAFNRHBCH-LBPRGKRZSA-N -1 0 277.320 2.606 50 0 CFAARM Cc1cc(S(=O)(=O)[N-]c2c(C)nn(C)c2C)c(C)s1 ZINC000012630471 371979559 /nfs/dbraw/zinc/97/95/59/371979559.db2.gz FPSIIBCHLULXSL-UHFFFAOYSA-N -1 0 299.421 2.516 50 0 CFAARM Cc1nn(-c2ccc(C)cc2)c2ncc(C(=O)[O-])cc12 ZINC000012788329 371987391 /nfs/dbraw/zinc/98/73/91/371987391.db2.gz MIXYJZUYWASOQE-UHFFFAOYSA-N -1 0 267.288 2.736 50 0 CFAARM O=C([O-])/C=C/C(=O)N(Cc1ccccc1)Cc1ccccc1 ZINC000012377733 371956910 /nfs/dbraw/zinc/95/69/10/371956910.db2.gz IKYXHWTZDKHFSL-VAWYXSNFSA-N -1 0 295.338 2.856 50 0 CFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 ZINC000013170261 372018355 /nfs/dbraw/zinc/01/83/55/372018355.db2.gz JBOZWJWOFKLUFA-OAHLLOKOSA-N -1 0 283.327 2.777 50 0 CFAARM COc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C)c1 ZINC000013737155 372046299 /nfs/dbraw/zinc/04/62/99/372046299.db2.gz KPWMTCVSHMAUOE-STQMWFEESA-N -1 0 289.331 2.609 50 0 CFAARM O=C([O-])CCCC(=O)Nc1cccc2c1CCCC2 ZINC000014076422 372057885 /nfs/dbraw/zinc/05/78/85/372057885.db2.gz MIGPQRRKCVAXAP-UHFFFAOYSA-N -1 0 261.321 2.759 50 0 CFAARM CC(C)CC[C@@H](CCC(=O)Nc1ccccn1)C(=O)[O-] ZINC000016625798 372114241 /nfs/dbraw/zinc/11/42/41/372114241.db2.gz UTMCTOWSIMEZMP-LBPRGKRZSA-N -1 0 278.352 2.937 50 0 CFAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1cccs1 ZINC000014232723 372066397 /nfs/dbraw/zinc/06/63/97/372066397.db2.gz DBVYKVBIZHCAEO-UHFFFAOYSA-N -1 0 275.301 2.827 50 0 CFAARM O=C([O-])C(=O)Cc1cccc(Oc2ccccc2)c1 ZINC000019256010 372151131 /nfs/dbraw/zinc/15/11/31/372151131.db2.gz VDZGEHCETBLHDA-UHFFFAOYSA-N -1 0 256.257 2.675 50 0 CFAARM Cc1c(Br)c2ccccc2n1CC(=O)[O-] ZINC000019255754 372151788 /nfs/dbraw/zinc/15/17/88/372151788.db2.gz JNJPGTYCGBTATE-UHFFFAOYSA-N -1 0 268.110 2.797 50 0 CFAARM Cc1c(Cl)c(C(F)(F)F)nn1C[C@H](C)C(=O)[O-] ZINC000019737083 372181687 /nfs/dbraw/zinc/18/16/87/372181687.db2.gz VTPPXRQWBYAJNK-BYPYZUCNSA-N -1 0 270.638 2.584 50 0 CFAARM Cc1cc(C)nc([N-]c2n[nH]c(COc3ccccc3)n2)n1 ZINC000017015453 372126422 /nfs/dbraw/zinc/12/64/22/372126422.db2.gz JLJZLLDALDSFQD-UHFFFAOYSA-N -1 0 296.334 2.534 50 0 aggregator CFAARM O=[P@]([O-])(CO)[C@@H](NCc1ccccc1)c1ccccc1 ZINC000020028813 372220422 /nfs/dbraw/zinc/22/04/22/372220422.db2.gz DKQJTMXNLDDQLA-OAHLLOKOSA-N -1 0 291.287 2.695 50 0 CFAARM Cc1ccc(NC(=O)Nc2nc(C(=O)[O-])cs2)cc1 ZINC000026422340 372319501 /nfs/dbraw/zinc/31/95/01/372319501.db2.gz JWQQNUAMBPFIOY-UHFFFAOYSA-N -1 0 277.305 2.794 50 0 CFAARM CC(C)(C)OC(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC000026898147 372330372 /nfs/dbraw/zinc/33/03/72/372330372.db2.gz RDAXHOIPDPHTNI-MRXNPFEDSA-N -1 0 291.347 2.650 50 0 CFAARM Cc1cc(OCC(=O)[O-])c(C(C)C)cc1-c1cc[nH]n1 ZINC000032576669 372446097 /nfs/dbraw/zinc/44/60/97/372446097.db2.gz BJECOUOCBQXFNO-UHFFFAOYSA-N -1 0 274.320 2.972 50 0 CFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1C 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50 0 CFAARM C[C@@H]1[C@H](C(F)(F)F)CCN1c1ncccc1C(=O)[O-] ZINC000647454659 395337781 /nfs/dbraw/zinc/33/77/81/395337781.db2.gz XRBGRQBEAUKXPP-VXNVDRBHSA-N -1 0 274.242 2.557 50 0 CFAARM O=c1cc(-c2ccc(F)cc2)nc2[n-]c(C(F)(F)F)nn21 ZINC000008737898 397536786 /nfs/dbraw/zinc/53/67/86/397536786.db2.gz RHVIQOKQABPYCP-UHFFFAOYSA-N -1 0 298.199 2.655 50 0 CFAARM CC[C@@H]1CCc2c(sc(NC(C)=O)c2C(=O)[O-])C1 ZINC000006706957 287120889 /nfs/dbraw/zinc/12/08/89/287120889.db2.gz KTGNWAPQFKKKFX-MRVPVSSYSA-N -1 0 267.350 2.920 50 0 CFAARM O=S(=O)([N-]c1nccs1)c1ccc(Cl)cc1 ZINC000001739302 169753308 /nfs/dbraw/zinc/75/33/08/169753308.db2.gz YBXYWOXGCPZQIZ-UHFFFAOYSA-N -1 0 274.754 2.597 50 0 CFAARM CC(C)(C)OC(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000002567669 169810209 /nfs/dbraw/zinc/81/02/09/169810209.db2.gz RCZHBTHQISEPPP-LLVKDONJSA-N -1 0 299.754 2.860 50 0 CFAARM Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1ccnn1C(C)C ZINC000003357023 169882318 /nfs/dbraw/zinc/88/23/18/169882318.db2.gz ATGHYWSNYXMWQZ-AATRIKPKSA-N -1 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ZINC000020260557 171116571 /nfs/dbraw/zinc/11/65/71/171116571.db2.gz KQOMEJCJSYLTBW-OAHLLOKOSA-N -1 0 294.310 2.724 50 0 CFAARM S=c1[n-]nc(C2CC2)n1-c1ccc2c(c1)OCO2 ZINC000020588510 171259752 /nfs/dbraw/zinc/25/97/52/171259752.db2.gz KGORHXRTOCIEQA-UHFFFAOYSA-N -1 0 261.306 2.536 50 0 CFAARM O=C([O-])[C@H]1CC(c2ccc(Cl)cc2Cl)=NO1 ZINC000020594106 171263281 /nfs/dbraw/zinc/26/32/81/171263281.db2.gz LSJWMFZQRLHGFI-SECBINFHSA-N -1 0 260.076 2.571 50 0 CFAARM C[C@@H](c1ccccc1)n1ncc2cc(C(=O)[O-])cnc21 ZINC000022142219 171355486 /nfs/dbraw/zinc/35/54/86/171355486.db2.gz LPBQSRGEAVUYPB-JTQLQIEISA-N -1 0 267.288 2.739 50 0 CFAARM Cc1nn(-c2ccccn2)c2nc(C3CC3)cc(C(=O)[O-])c12 ZINC000022163222 171364689 /nfs/dbraw/zinc/36/46/89/171364689.db2.gz JJUMUYPEXZXUEZ-UHFFFAOYSA-N -1 0 294.314 2.700 50 0 CFAARM O=C([O-])[C@@H](NC(=S)NC1CCCCC1)c1ccccc1 ZINC000022239186 171381627 /nfs/dbraw/zinc/38/16/27/171381627.db2.gz TWCHDHPKFRLLQX-ZDUSSCGKSA-N -1 0 292.404 2.609 50 0 CFAARM CCc1ccc(CC)c(S(=O)(=O)[N-]c2ccon2)c1 ZINC000035670733 172343490 /nfs/dbraw/zinc/34/34/90/172343490.db2.gz MDFMIEZQPDUHOY-UHFFFAOYSA-N -1 0 280.349 2.600 50 0 CFAARM O=C([O-])c1csc(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)c1 ZINC000652066905 413805421 /nfs/dbraw/zinc/80/54/21/413805421.db2.gz AMSPMLVYJBOIAP-WCABBAIRSA-N -1 0 277.345 2.987 50 0 CFAARM O=C([O-])C1(NC(=O)CCc2ccco2)CCCCCC1 ZINC000037366996 173156711 /nfs/dbraw/zinc/15/67/11/173156711.db2.gz FHJUPPTUUMWRSL-UHFFFAOYSA-N -1 0 279.336 2.506 50 0 CFAARM Cc1c2ccccc2oc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000037410499 173186970 /nfs/dbraw/zinc/18/69/70/173186970.db2.gz NQLVPFGNKCUDDF-LLVKDONJSA-N -1 0 287.315 2.678 50 0 CFAARM O=C([O-])[C@@H](NC(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000037411900 173188799 /nfs/dbraw/zinc/18/87/99/173188799.db2.gz VOIMSUYWFUFQGQ-NSHDSACASA-N -1 0 295.747 2.957 50 0 CFAARM Cc1nc2ccccn2c1CNc1ccc(C(=O)[O-])cc1 ZINC000037414534 173191165 /nfs/dbraw/zinc/19/11/65/173191165.db2.gz XEHOYWCXUKISMK-UHFFFAOYSA-N -1 0 281.315 2.953 50 0 CFAARM CCCCCC(=O)Nc1cccc(OCC(=O)[O-])c1 ZINC000038087148 174098297 /nfs/dbraw/zinc/09/82/97/174098297.db2.gz JIHPHZXYSVYMMF-UHFFFAOYSA-N -1 0 265.309 2.669 50 0 CFAARM O=C([O-])c1ccc(Nc2nccc(C(F)(F)F)n2)cc1 ZINC000040447874 174264892 /nfs/dbraw/zinc/26/48/92/174264892.db2.gz LCVYBIAINVFXAV-UHFFFAOYSA-N -1 0 283.209 2.937 50 0 CFAARM O=C([O-])c1cccc(Oc2nccc(C(F)(F)F)n2)c1 ZINC000040447871 174265145 /nfs/dbraw/zinc/26/51/45/174265145.db2.gz KMCDGYPVORJOBQ-UHFFFAOYSA-N -1 0 284.193 2.986 50 0 CFAARM CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@H]1C(=O)[O-] ZINC000041701911 174608117 /nfs/dbraw/zinc/60/81/17/174608117.db2.gz XCJDZYKLPCSUNZ-GHMZBOCLSA-N -1 0 271.357 2.935 50 0 CFAARM COc1ccccc1C(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000043879219 175116018 /nfs/dbraw/zinc/11/60/18/175116018.db2.gz YMKNKDVVOXIHBR-WDEREUQCSA-N -1 0 262.305 2.769 50 0 CFAARM CC(C)[C@@H](NC(=O)Cc1cccc2ccccc21)C(=O)[O-] ZINC000002622134 260009791 /nfs/dbraw/zinc/00/97/91/260009791.db2.gz UCAURZDMFQZLRB-MRXNPFEDSA-N -1 0 285.343 2.608 50 0 CFAARM O=C([O-])CSc1nnc(-c2ccccc2Cl)o1 ZINC000003886224 260013611 /nfs/dbraw/zinc/01/36/11/260013611.db2.gz JANFAVUKCBTPSH-UHFFFAOYSA-N -1 0 270.697 2.567 50 0 CFAARM O=C([O-])C[C@H](NC(=O)C1CCCC1)c1ccccc1 ZINC000013224081 260069109 /nfs/dbraw/zinc/06/91/09/260069109.db2.gz RROUEWXKECDOEC-ZDUSSCGKSA-N -1 0 261.321 2.509 50 0 CFAARM COc1ccc(-c2c([O-])c(=O)n(C)c3ccccc32)cc1 ZINC000526052635 261083283 /nfs/dbraw/zinc/08/32/83/261083283.db2.gz YJALINLQHRDUIO-UHFFFAOYSA-N -1 0 281.311 2.920 50 0 CFAARM Cc1nc(-c2ccccc2C(=O)[O-])c(Cl)c(=O)[n-]1 ZINC000218955297 262348179 /nfs/dbraw/zinc/34/81/79/262348179.db2.gz IQEKXNOIQUFAOL-UHFFFAOYSA-N -1 0 264.668 2.509 50 0 CFAARM C/C(=C/c1ccc(I)cc1)C(=O)[O-] ZINC000003848644 277728265 /nfs/dbraw/zinc/72/82/65/277728265.db2.gz AYDTUSBVGIWIOU-SREVYHEPSA-N -1 0 288.084 2.779 50 0 CFAARM CC(C)C[C@@H](CCC(=O)Nc1nccs1)C(=O)[O-] ZINC000006810772 278968574 /nfs/dbraw/zinc/96/85/74/278968574.db2.gz PAJAYXHUOMVGGK-SECBINFHSA-N -1 0 270.354 2.609 50 0 CFAARM Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H]1C(=O)[O-] ZINC000237655116 279271007 /nfs/dbraw/zinc/27/10/07/279271007.db2.gz AIOZNWNFIANUPW-CQSZACIVSA-N -1 0 286.331 2.699 50 0 CFAARM CC(C)N(C(=O)c1cccc(C(=O)[O-])c1)C1CCC1 ZINC000097036782 279315215 /nfs/dbraw/zinc/31/52/15/279315215.db2.gz PEIWXUHSPHYRJV-UHFFFAOYSA-N -1 0 261.321 2.788 50 0 CFAARM CC(C)c1cc(C(=O)[O-])n2nc(C(F)(F)F)cc2n1 ZINC000223250870 280583921 /nfs/dbraw/zinc/58/39/21/280583921.db2.gz PAPQGLUBBDNUFX-UHFFFAOYSA-N -1 0 273.214 2.570 50 0 CFAARM CC(C)n1ncc2c1nc(-c1ccncc1)cc2C(=O)[O-] ZINC000019270752 280796703 /nfs/dbraw/zinc/79/67/03/280796703.db2.gz PBRNAFCVYDLODR-UHFFFAOYSA-N -1 0 282.303 2.772 50 0 CFAARM Cc1ccc(N2[N-]C(=O)/C(=C\c3ccc(F)cc3)C2=O)cc1 ZINC000000105389 280884473 /nfs/dbraw/zinc/88/44/73/280884473.db2.gz CFQJXRSAFCYLEK-XNTDXEJSSA-N -1 0 296.301 2.596 50 0 CFAARM CC(C)(CC(=O)[O-])CC(=O)NCCCc1cccs1 ZINC000552076752 281852720 /nfs/dbraw/zinc/85/27/20/281852720.db2.gz CUVCRFDYLYCGHL-UHFFFAOYSA-N -1 0 283.393 2.688 50 0 CFAARM CC[C@]1(C(=O)[O-])CCCN(c2ncncc2C(C)C)C1 ZINC000091350673 288430824 /nfs/dbraw/zinc/43/08/24/288430824.db2.gz KPCYEVLLMQAAMW-HNNXBMFYSA-N -1 0 277.368 2.681 50 0 CFAARM COc1cc2c(cc1Br)n(C)c(C)c2C(=O)[O-] ZINC000000529862 295032181 /nfs/dbraw/zinc/03/21/81/295032181.db2.gz LTBHATYBASAESJ-UHFFFAOYSA-N -1 0 298.136 2.956 50 0 CFAARM COc1ccc([C@H](CC(=O)[O-])CC(=O)NC(C)(C)C)cc1 ZINC000057607741 295240104 /nfs/dbraw/zinc/24/01/04/295240104.db2.gz ZTXIXZAVJJYHSR-LBPRGKRZSA-N -1 0 293.363 2.558 50 0 CFAARM COc1ccc2[nH]c3c(c2c1)CN(C(=S)[S-])CC3 ZINC000040162866 295255634 /nfs/dbraw/zinc/25/56/34/295255634.db2.gz BRHOLBFPQXPXJS-UHFFFAOYSA-N -1 0 278.402 2.749 50 0 CFAARM C[C@H](CC(=O)[O-])NC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000097019327 298310713 /nfs/dbraw/zinc/31/07/13/298310713.db2.gz CABNMQZRNSLGIZ-SNVBAGLBSA-N -1 0 295.766 2.741 50 0 CFAARM C[C@H](N1C[C@H](C(=O)[O-])CC1=O)C12CC3CC(CC(C3)C1)C2 ZINC000019389754 299007593 /nfs/dbraw/zinc/00/75/93/299007593.db2.gz FTLHDNNGVBIRSG-FYBHJDENSA-N -1 0 291.391 2.524 50 0 CFAARM Cc1c2ccccc2oc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037410808 301020817 /nfs/dbraw/zinc/02/08/17/301020817.db2.gz HIUPSEWLJAEVAQ-GFCCVEGCSA-N -1 0 287.315 2.821 50 0 CFAARM Cc1cc(=O)c(C(=O)[O-])cn1-c1ccc(C(C)C)cc1 ZINC000020365558 301066011 /nfs/dbraw/zinc/06/60/11/301066011.db2.gz IRCOZPOADMDNRD-UHFFFAOYSA-N -1 0 271.316 2.968 50 0 CFAARM Cc1cc(C(=O)N2CCC[C@H]2CC(=O)[O-])cc(C)c1F ZINC000262879756 301098306 /nfs/dbraw/zinc/09/83/06/301098306.db2.gz GXTJPWDZKXJGAK-LBPRGKRZSA-N -1 0 279.311 2.522 50 0 CFAARM Cc1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)oc1C ZINC000221723642 301127673 /nfs/dbraw/zinc/12/76/73/301127673.db2.gz BGKZXNZQRHVTLF-AGIUHOORSA-N -1 0 291.347 2.754 50 0 CFAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnccn2)c1C ZINC000014253169 301180581 /nfs/dbraw/zinc/18/05/81/301180581.db2.gz VEUXUUARTPTSCX-UHFFFAOYSA-N -1 0 291.376 2.511 50 0 CFAARM Cc1cc(C)nc(N2CC[C@@H](c3ccccc3C(=O)[O-])C2)n1 ZINC000072164755 301262998 /nfs/dbraw/zinc/26/29/98/301262998.db2.gz VVSXEOMUMLWXEK-CYBMUJFWSA-N -1 0 297.358 2.786 50 0 CFAARM Cc1cccc(C)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004134012 301975990 /nfs/dbraw/zinc/97/59/90/301975990.db2.gz PVYMNIJDLNZWFT-STQMWFEESA-N -1 0 273.332 2.909 50 0 CFAARM Cc1cnc(C)c(N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)n1 ZINC000091269638 302337703 /nfs/dbraw/zinc/33/77/03/302337703.db2.gz GMEZLUGMFIRTIJ-INIZCTEOSA-N -1 0 289.379 2.565 50 0 CFAARM Cc1cnc2c(c1)c(C(=O)[O-])cn2C(=O)OC(C)(C)C ZINC000039961359 302376451 /nfs/dbraw/zinc/37/64/51/302376451.db2.gz ZAIRJIDIJWMCHO-UHFFFAOYSA-N -1 0 276.292 2.826 50 0 CFAARM Cc1csc(-c2ccc(C(=O)[O-])c(N(C)C)n2)c1 ZINC000299801526 302412312 /nfs/dbraw/zinc/41/23/12/302412312.db2.gz ZDAGTXQURUHHAB-UHFFFAOYSA-N -1 0 262.334 2.883 50 0 CFAARM Cc1cscc1C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000108458205 302463519 /nfs/dbraw/zinc/46/35/19/302463519.db2.gz KUSOZLNNVBAUNT-DRZSPHRISA-N -1 0 293.388 2.914 50 0 CFAARM Cc1oc(-c2ccc(Cl)cc2)nc1CC(=O)[O-] ZINC000049632725 302867297 /nfs/dbraw/zinc/86/72/97/302867297.db2.gz PEXXCCUAGDYKTA-UHFFFAOYSA-N -1 0 251.669 2.931 50 0 CFAARM Cn1c2ccccc2nc1-c1ccccc1C(=O)[O-] ZINC000037323464 302902180 /nfs/dbraw/zinc/90/21/80/302902180.db2.gz PIOJUGQWJKHLKY-UHFFFAOYSA-N -1 0 252.273 2.939 50 0 CFAARM Cn1nc(-c2cccc3ccccc32)cc1C(=O)[O-] ZINC000026420234 303040320 /nfs/dbraw/zinc/04/03/20/303040320.db2.gz ALPCGAYTJWXVGE-UHFFFAOYSA-N -1 0 252.273 2.939 50 0 CFAARM O=c1cc([O-])c2sc3nc(-c4ccccn4)ccc3c2[nH]1 ZINC000009134281 304817834 /nfs/dbraw/zinc/81/78/34/304817834.db2.gz UWGJDPTULAHJPF-UHFFFAOYSA-N -1 0 295.323 2.905 50 0 CFAARM CC(C)COc1ccccc1-c1nnc(CCC(=O)[O-])[nH]1 ZINC000534654416 328338860 /nfs/dbraw/zinc/33/88/60/328338860.db2.gz XWIMTVRENVTSLF-UHFFFAOYSA-N -1 0 289.335 2.524 50 0 CFAARM CCCc1nnc(-c2ccc(C(=O)[O-])s2)s1 ZINC000534674560 328349126 /nfs/dbraw/zinc/34/91/26/328349126.db2.gz GPMYEXWKBMKWQT-UHFFFAOYSA-N -1 0 254.336 2.917 50 0 CFAARM CSc1cccc(N(C)C(=O)c2ncccc2[O-])c1 ZINC000097102387 323618906 /nfs/dbraw/zinc/61/89/06/323618906.db2.gz IDGYVPDGXHNGIS-UHFFFAOYSA-N -1 0 274.345 2.786 50 0 CFAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1cccs1)c1ccccc1 ZINC000195541898 324108572 /nfs/dbraw/zinc/10/85/72/324108572.db2.gz HDMNYAKKVQPUEY-ZWNOBZJWSA-N -1 0 289.356 2.940 50 0 CFAARM CCO[C@H](C)c1nccn1Cc1cccc(C(=O)[O-])c1 ZINC000580503646 325041120 /nfs/dbraw/zinc/04/11/20/325041120.db2.gz SAVYGSHDVGSXQP-LLVKDONJSA-N -1 0 274.320 2.727 50 0 CFAARM Cc1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000000397903 326791770 /nfs/dbraw/zinc/79/17/70/326791770.db2.gz VHDUCGDGGIOQHQ-NWDGAFQWSA-N -1 0 261.321 2.825 50 0 CFAARM CC(C)[C@@H](Nc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000004661720 326812105 /nfs/dbraw/zinc/81/21/05/326812105.db2.gz BCFIHQUDURXWQA-SECBINFHSA-N -1 0 262.231 2.622 50 0 CFAARM Cc1nc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc1C ZINC000006255038 326817939 /nfs/dbraw/zinc/81/79/39/326817939.db2.gz DJKSMDQQWSHWMA-ZJUUUORDSA-N -1 0 282.365 2.589 50 0 CFAARM C/C(=C/C(=O)N1CC[C@@H](C(=O)[O-])C1)c1cccc(Cl)c1 ZINC000255660276 518409215 /nfs/dbraw/zinc/40/92/15/518409215.db2.gz BNZBNXRZVNQBKS-MQGYJPLLSA-N -1 0 293.750 2.676 50 0 CFAARM Cc1ccncc1[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000096461121 534426238 /nfs/dbraw/zinc/42/62/38/534426238.db2.gz WTNBESBMPXCKFV-UHFFFAOYSA-N -1 0 299.355 2.739 50 0 CFAARM C[C@]1(c2cccc(Br)c2)C[C@@H]1C(=O)[O-] ZINC000052126514 525321594 /nfs/dbraw/zinc/32/15/94/525321594.db2.gz ZUPSZLVWHQKICB-MWLCHTKSSA-N -1 0 255.111 2.811 50 0 CFAARM C[C@@H]1C[C@H]1C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000241588224 525479484 /nfs/dbraw/zinc/47/94/84/525479484.db2.gz PAZBOJQAECXGSN-HLUHBDAQSA-N -1 0 281.739 2.628 50 0 CFAARM [NH3+][C@@H](CCCCCCCC(=O)[O-])CCCCC(=O)[O-] ZINC000004956318 619075261 /nfs/dbraw/zinc/07/52/61/619075261.db2.gz XPWJWCMCGYNVCH-LBPRGKRZSA-N -1 0 273.373 2.774 50 0 CFAARM O=C([O-])CCN1C(=O)c2ccccc2N[C@@H]1c1ccccc1 ZINC000888088241 619082041 /nfs/dbraw/zinc/08/20/41/619082041.db2.gz WQQZABWTFFEJTD-INIZCTEOSA-N -1 0 296.326 2.728 50 0 CFAARM Cc1cccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)c1Cl ZINC000263521896 620153885 /nfs/dbraw/zinc/15/38/85/620153885.db2.gz RILONNROCRSVRE-GHMZBOCLSA-N -1 0 295.766 2.974 50 0 CFAARM C[C@@H]1CC[C@H](C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)O1 ZINC000157891363 623080011 /nfs/dbraw/zinc/08/00/11/623080011.db2.gz IHBYEUZDCXRRKU-RDDDGLTNSA-N -1 0 283.711 2.544 50 0 CFAARM C/C(=C/C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1)C1CC1 ZINC000097035314 651011933 /nfs/dbraw/zinc/01/19/33/651011933.db2.gz HUDVHKGBUFJYSU-QQBNSCQMSA-N -1 0 291.322 2.814 50 0 CFAARM Cc1cc(CCCC(=O)NC[C@H](C)C(=O)[O-])c(C)s1 ZINC000096494265 230383562 /nfs/dbraw/zinc/38/35/62/230383562.db2.gz SMGNDIYAQWTAOB-VIFPVBQESA-N -1 0 283.393 2.525 50 0 CFAARM Cc1cc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)sc1C ZINC000096502843 230385468 /nfs/dbraw/zinc/38/54/68/230385468.db2.gz HNIKVPYVOIAOMS-UHFFFAOYSA-N -1 0 297.405 2.573 50 0 CFAARM O=C([O-])CCN(CC1CC1)C(=O)c1cccc(F)c1Cl ZINC000097017881 230386607 /nfs/dbraw/zinc/38/66/07/230386607.db2.gz 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371979528 /nfs/dbraw/zinc/97/95/28/371979528.db2.gz ZPJSWTWEMSCCGH-GFCCVEGCSA-N -1 0 282.390 2.889 50 0 CFAARM CCc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)sc1C ZINC000013260591 372021543 /nfs/dbraw/zinc/02/15/43/372021543.db2.gz UAXPPJUXEWSVMH-LLVKDONJSA-N -1 0 281.377 2.556 50 0 CFAARM CCCCC(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000013257656 372021661 /nfs/dbraw/zinc/02/16/61/372021661.db2.gz BASBSPKBHVGODG-GFCCVEGCSA-N -1 0 267.300 2.648 50 0 CFAARM Cc1ccc(CC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000013259761 372021848 /nfs/dbraw/zinc/02/18/48/372021848.db2.gz UGZJNFDGYGDOGT-UHFFFAOYSA-N -1 0 269.300 2.874 50 0 CFAARM O=c1[nH]c2ccccc2c([O-])c1Cc1ccccc1 ZINC000013570739 372034282 /nfs/dbraw/zinc/03/42/82/372034282.db2.gz NVGZWGUUHGGGEY-UHFFFAOYSA-N -1 0 251.285 2.825 50 0 CFAARM Cc1ccc2c(c1)CCCN2C(=O)CCCC(=O)[O-] ZINC000013961032 372055339 /nfs/dbraw/zinc/05/53/39/372055339.db2.gz AFGPMICDKYPQKU-UHFFFAOYSA-N -1 0 261.321 2.529 50 0 CFAARM O=c1[n-]c(NCc2ccc(F)cc2)nnc1-c1ccccc1 ZINC000016675927 372115845 /nfs/dbraw/zinc/11/58/45/372115845.db2.gz PAWAGFHXMSJUHT-UHFFFAOYSA-N -1 0 296.305 2.583 50 0 CFAARM O=c1[n-]c(NCc2ccccc2F)nnc1-c1ccccc1 ZINC000016675931 372116466 /nfs/dbraw/zinc/11/64/66/372116466.db2.gz FOOCSYDWYDBASZ-UHFFFAOYSA-N -1 0 296.305 2.583 50 0 CFAARM CC(=O)c1c([O-])cc(C)n(-c2cccc(Cl)c2)c1=O ZINC000016769565 372119749 /nfs/dbraw/zinc/11/97/49/372119749.db2.gz KKNDKBISBZPSTJ-UHFFFAOYSA-N -1 0 277.707 2.708 50 0 CFAARM O=C([O-])c1ccccc1C(=O)Nc1cccnc1Cl ZINC000016780755 372119927 /nfs/dbraw/zinc/11/99/27/372119927.db2.gz WWAZKNNZHJFLRI-UHFFFAOYSA-N -1 0 276.679 2.686 50 0 CFAARM O=C([O-])c1ccc(S(=O)(=O)CC2CCCCC2)cc1 ZINC000019475537 372165730 /nfs/dbraw/zinc/16/57/30/372165730.db2.gz AEHOIAJZQNBGPR-UHFFFAOYSA-N -1 0 282.361 2.739 50 0 CFAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2)c(OC)c1 ZINC000017023184 372126118 /nfs/dbraw/zinc/12/61/18/372126118.db2.gz FHSLABVWTQNFRI-UHFFFAOYSA-N -1 0 293.344 2.505 50 0 CFAARM Cc1cc2c([n-]c(=S)n(Cc3cccnc3)c2=O)s1 ZINC000017022248 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CC[C@H](C)[C@H](NC(=O)c1cnc2ccsc2c1)C(=O)[O-] ZINC000535911686 281513525 /nfs/dbraw/zinc/51/35/25/281513525.db2.gz ZOUXMPNXYXJVAA-UFBFGSQYSA-N -1 0 292.360 2.525 50 0 CFAARM COc1c(Cl)cc(C(=O)[O-])cc1Br ZINC000026508498 294901488 /nfs/dbraw/zinc/90/14/88/294901488.db2.gz AHAWEUPOHFLFIA-UHFFFAOYSA-N -1 0 265.490 2.809 50 0 CFAARM COc1cc([O-])cc2occ(-c3ccc(O)cc3)c(=O)c12 ZINC000013124366 295005200 /nfs/dbraw/zinc/00/52/00/295005200.db2.gz YSINCDVRUMTOPK-UHFFFAOYSA-N -1 0 284.267 2.880 50 0 biogenic,in-vitro CFAARM COc1ccc2c(c1)CN(c1cccc(C(=O)[O-])c1)CO2 ZINC000000111261 295260801 /nfs/dbraw/zinc/26/08/01/295260801.db2.gz NJJDOFURZNIDGS-UHFFFAOYSA-N -1 0 285.299 2.750 50 0 CFAARM COc1ccccc1-c1c([O-])c2ccc(O)cc2oc1=O ZINC000011764690 295344291 /nfs/dbraw/zinc/34/42/91/295344291.db2.gz TXKXPAXCSKUAOT-UHFFFAOYSA-N -1 0 284.267 2.880 50 0 CFAARM C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000019268942 297503703 /nfs/dbraw/zinc/50/37/03/297503703.db2.gz GPOCUZBKOKKTJD-BNOWGMLFSA-N 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XVJBVJORUASITM-UHFFFAOYSA-N -1 0 275.485 2.915 50 0 CFAARM O=c1cnnc(SCc2c(Cl)cccc2Cl)[n-]1 ZINC000005626203 304819147 /nfs/dbraw/zinc/81/91/47/304819147.db2.gz UVUQTXCQAMPXDB-UHFFFAOYSA-N -1 0 288.159 2.764 50 0 CFAARM CC[C@@H](C)c1ccc(-c2nc(C(=O)[O-])nn2C)cc1 ZINC000534587884 328316349 /nfs/dbraw/zinc/31/63/49/328316349.db2.gz HNCCEFOCOGTHEY-SECBINFHSA-N -1 0 259.309 2.694 50 0 CFAARM O=C([O-])[C@@H]1C[C@H]1COc1ccc(-c2ccncc2)cc1 ZINC000534670036 328346904 /nfs/dbraw/zinc/34/69/04/328346904.db2.gz QLZZTRLCDYXGTQ-DZGCQCFKSA-N -1 0 269.300 2.848 50 0 CFAARM O=C(Nc1c(O)cccc1F)c1c([O-])cc(F)cc1F ZINC000096436570 329526281 /nfs/dbraw/zinc/52/62/81/329526281.db2.gz JOTDSIHIFLIUJH-UHFFFAOYSA-N -1 0 283.205 2.767 50 0 CFAARM Cc1nsc([N-]C(=O)c2c(F)ccc(F)c2F)n1 ZINC000164221622 329528622 /nfs/dbraw/zinc/52/86/22/329528622.db2.gz WCOJDHIDNYQDKP-UHFFFAOYSA-N -1 0 273.239 2.516 50 0 CFAARM COc1ccc(Cl)c(-c2cc(C(=O)[O-])on2)c1 ZINC000258263321 330381873 /nfs/dbraw/zinc/38/18/73/330381873.db2.gz BHZXAFMZLYYMMJ-UHFFFAOYSA-N -1 0 253.641 2.702 50 0 CFAARM C/C(=C\c1cccc(O[C@@H](C)C(=O)[O-])c1)c1cnccn1 ZINC000187647717 518441549 /nfs/dbraw/zinc/44/15/49/518441549.db2.gz YRNJCKKNFSJNIW-OBIHZWKSSA-N -1 0 284.315 2.889 50 0 CFAARM O=C([O-])CCCN1CCO[C@@H](c2ccccc2Cl)C1 ZINC000116392830 534488794 /nfs/dbraw/zinc/48/87/94/534488794.db2.gz FKGKURIWKBDKQF-CYBMUJFWSA-N -1 0 283.755 2.578 50 0 CFAARM O=C([O-])[C@H]1CN(C(=O)c2ccsc2)c2ccccc21 ZINC000133853744 534537716 /nfs/dbraw/zinc/53/77/16/534537716.db2.gz PVWLEXNVWXTLPM-NSHDSACASA-N -1 0 273.313 2.577 50 0 CFAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N(Cc1ccco1)Cc1ccccc1 ZINC000097017605 534539365 /nfs/dbraw/zinc/53/93/65/534539365.db2.gz WCAMQVLPQIMYMN-GJZGRUSLSA-N -1 0 299.326 2.529 50 0 CFAARM C[C@@H](O)c1cc(NC2CCC(C(=O)[O-])CC2)ccc1F ZINC000263409986 525864259 /nfs/dbraw/zinc/86/42/59/525864259.db2.gz LCBLAXKZPAZXCL-KPPDAEKUSA-N -1 0 281.327 2.934 50 0 CFAARM O=C([O-])[C@@H]1CCCN(C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000337665518 526271634 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C[C@H](O)c1ccc(-n2nc(C(=O)[O-])c3ccccc32)cc1 ZINC000067842504 299549805 /nfs/dbraw/zinc/54/98/05/299549805.db2.gz GXXQYBKZVIZVME-JTQLQIEISA-N -1 0 282.299 2.777 50 0 CFAARM CC1(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1 ZINC000450510304 383444224 /nfs/dbraw/zinc/44/42/24/383444224.db2.gz GBGVIILKPSUBBF-UHFFFAOYSA-N -1 0 283.711 2.542 50 0 CFAARM O=C([O-])c1cc(NN=Cc2ccccn2)ccc1Cl ZINC000254865520 383471880 /nfs/dbraw/zinc/47/18/80/383471880.db2.gz NDHLQANIGBGVSQ-UHFFFAOYSA-N -1 0 275.695 2.879 50 0 CFAARM O=C([O-])[C@@H]1CCCN1Cc1ncc(-c2cccc(F)c2)o1 ZINC000262188949 383612113 /nfs/dbraw/zinc/61/21/13/383612113.db2.gz YEMYOYXZVCVPIX-LBPRGKRZSA-N -1 0 290.294 2.530 50 0 CFAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N(CC2CC2)c2ccccc2)C1 ZINC000263206328 383656405 /nfs/dbraw/zinc/65/64/05/383656405.db2.gz KSVPHCUFLISGGL-UONOGXRCSA-N -1 0 287.359 2.931 50 0 CFAARM C[C@@H]1CCCC[C@]1(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000041037312 296361135 /nfs/dbraw/zinc/36/11/35/296361135.db2.gz XTHZDOCEIJAPLY-NOZJJQNGSA-N -1 0 257.330 2.545 50 0 CFAARM O=C([O-])c1ccc2ccc(Br)cc2n1 ZINC000026474823 304254192 /nfs/dbraw/zinc/25/41/92/304254192.db2.gz PLRDUYBIGUGOKD-UHFFFAOYSA-N -1 0 252.067 2.696 50 0 CFAARM O=C([O-])C1CCN(C(=O)c2ccc3sccc3c2)CC1 ZINC000269112477 384725351 /nfs/dbraw/zinc/72/53/51/384725351.db2.gz DGGJWQVRQWVSPT-UHFFFAOYSA-N -1 0 289.356 2.838 50 0 CFAARM Cc1cc(NC(=O)[C@H]2CC=CCC2)ccc1C(=O)[O-] ZINC000044749871 256876194 /nfs/dbraw/zinc/87/61/94/256876194.db2.gz SXFDETZLJJHYDD-NSHDSACASA-N -1 0 259.305 2.988 50 0 CFAARM O=C([O-])c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000054187193 304279737 /nfs/dbraw/zinc/27/97/37/304279737.db2.gz LVXUGHWZJOBYDX-UHFFFAOYSA-N -1 0 256.183 2.589 50 0 CFAARM Cc1ccc(F)c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000094702051 184843183 /nfs/dbraw/zinc/84/31/83/184843183.db2.gz NBQVILOYZBAOOB-LLVKDONJSA-N -1 0 281.327 2.611 50 0 CFAARM COc1ccc(-c2nc(C)c(C(=O)[O-])s2)cc1OC ZINC000001385506 169698076 /nfs/dbraw/zinc/69/80/76/169698076.db2.gz XLOKWLWQQDZOIT-UHFFFAOYSA-N -1 0 279.317 2.834 50 0 CFAARM O=C([O-])c1csc(NC(=O)Nc2ccc(F)cc2)n1 ZINC000026423388 304282099 /nfs/dbraw/zinc/28/20/99/304282099.db2.gz ZQZWYMGFPMPJKF-UHFFFAOYSA-N -1 0 281.268 2.624 50 0 CFAARM O=C([O-])c1ncn2c1CO[C@H](c1ccc(Cl)cc1)C2 ZINC000085397333 304284031 /nfs/dbraw/zinc/28/40/31/304284031.db2.gz TVLFMPTWTJZBOA-NSHDSACASA-N -1 0 278.695 2.506 50 0 CFAARM O=C([O-])c1ncc(C(F)(F)F)cc1Br ZINC000039325922 304283760 /nfs/dbraw/zinc/28/37/60/304283760.db2.gz DGCOFXUWTIYTNZ-UHFFFAOYSA-N -1 0 270.004 2.561 50 0 CFAARM O=C([O-])c1sc(Br)nc1C(F)(F)F ZINC000015443556 304285565 /nfs/dbraw/zinc/28/55/65/304285565.db2.gz KDDAZSADIUMSBH-UHFFFAOYSA-N -1 0 276.033 2.623 50 0 CFAARM CC(C)[C@@H](Nc1ncnc2sc3c(c21)CCC3)C(=O)[O-] ZINC000000090338 393446472 /nfs/dbraw/zinc/44/64/72/393446472.db2.gz GWCDEYDMKMNWKP-LLVKDONJSA-N -1 0 291.376 2.701 50 0 CFAARM CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000000377234 393450120 /nfs/dbraw/zinc/45/01/20/393450120.db2.gz YKJBBJYORBOEOO-SFYZADRCSA-N -1 0 291.273 2.915 50 0 CFAARM COc1cc(C(=O)[O-])cc(Br)c1OC(C)C ZINC000007603871 393466480 /nfs/dbraw/zinc/46/64/80/393466480.db2.gz WRDQJIBIWLRJDY-UHFFFAOYSA-N -1 0 289.125 2.943 50 0 CFAARM Cc1c(C(=O)[O-])cnn1-c1ccccc1C(F)(F)F ZINC000012505307 393472629 /nfs/dbraw/zinc/47/26/29/393472629.db2.gz CVXDSOGMUDHKDS-UHFFFAOYSA-N -1 0 270.210 2.898 50 0 CFAARM COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)[O-] ZINC000012505366 393473063 /nfs/dbraw/zinc/47/30/63/393473063.db2.gz QLQJQGAAFKMHKM-UHFFFAOYSA-N -1 0 286.209 2.598 50 0 CFAARM CC(C)c1ccc(-n2nnc(C(=O)[O-])c2-n2cccc2)cc1 ZINC000057352051 393621438 /nfs/dbraw/zinc/62/14/38/393621438.db2.gz AWBPAYFMOQMEKJ-UHFFFAOYSA-N -1 0 296.330 2.880 50 0 CFAARM C[C@@H](C(=O)[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000237514869 393794258 /nfs/dbraw/zinc/79/42/58/393794258.db2.gz PDKFYSOYCRAOHE-ZETCQYMHSA-N -1 0 274.147 2.825 50 0 CFAARM C[C@@H]1[C@@H](C(F)(F)F)CCN1c1ncccc1C(=O)[O-] ZINC000647454656 395338449 /nfs/dbraw/zinc/33/84/49/395338449.db2.gz XRBGRQBEAUKXPP-APPZFPTMSA-N -1 0 274.242 2.557 50 0 CFAARM CC(C)Oc1ccc(C(=O)[O-])cc1Br ZINC000012137035 397538843 /nfs/dbraw/zinc/53/88/43/397538843.db2.gz NRSJYUSYBNFGAK-UHFFFAOYSA-N -1 0 259.099 2.935 50 0 CFAARM Cc1nc2[n-]c(CC(C)C)nn2c(=O)c1Cc1ccccc1 ZINC000101823621 397593693 /nfs/dbraw/zinc/59/36/93/397593693.db2.gz IYNZGWUFLCEQHJ-UHFFFAOYSA-N -1 0 296.374 2.515 50 0 CFAARM CCC[C@@H](CCC(=O)Nc1ccccc1OC)C(=O)[O-] ZINC000002301582 169785058 /nfs/dbraw/zinc/78/50/58/169785058.db2.gz GOJIEDADSZRMJZ-NSHDSACASA-N -1 0 279.336 2.915 50 0 CFAARM CSCC[C@H](NC(=O)Nc1ccc(C)cc1C)C(=O)[O-] ZINC000002435076 169791571 /nfs/dbraw/zinc/79/15/71/169791571.db2.gz AAOBSPUWTDJXRC-LBPRGKRZSA-N -1 0 296.392 2.631 50 0 CFAARM Cc1ccc(Br)c(SCC(=O)[O-])c1 ZINC000003227282 169869762 /nfs/dbraw/zinc/86/97/62/169869762.db2.gz ADOCAXSQIJEQIG-UHFFFAOYSA-N -1 0 261.140 2.934 50 0 CFAARM COc1ccc([C@H]2C[C@@H](CCCC(=O)[O-])C(=O)O2)cc1 ZINC000003850120 169916920 /nfs/dbraw/zinc/91/69/20/169916920.db2.gz YQJNKKKSQTURMY-DGCLKSJQSA-N -1 0 278.304 2.554 50 0 CFAARM O=C([O-])[C@@H](Nc1ncnc2ccccc21)c1ccccc1 ZINC000004226162 169945400 /nfs/dbraw/zinc/94/54/00/169945400.db2.gz QGQWGXLZEYFNEI-AWEZNQCLSA-N -1 0 279.299 2.868 50 0 CFAARM CCCCCCc1ccc(C(=O)NCC(=O)[O-])cc1 ZINC000004704047 170001708 /nfs/dbraw/zinc/00/17/08/170001708.db2.gz PAHJFJKPMFSNIL-UHFFFAOYSA-N -1 0 263.337 2.624 50 0 CFAARM O=Cc1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000004739236 170008518 /nfs/dbraw/zinc/00/85/18/170008518.db2.gz LIAZFMKEURAOBZ-UHFFFAOYSA-N -1 0 256.257 2.776 50 0 CFAARM O=C(c1ccc(F)cc1)c1cc2ccc([O-])cc2oc1=O ZINC000004937845 170042829 /nfs/dbraw/zinc/04/28/29/170042829.db2.gz XXIFMDZHVXHDBW-UHFFFAOYSA-N -1 0 284.242 2.869 50 0 CFAARM Cc1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1C ZINC000004970482 170047077 /nfs/dbraw/zinc/04/70/77/170047077.db2.gz YKPCCSUWAGCTQJ-UHFFFAOYSA-N -1 0 276.361 2.808 50 0 CFAARM COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2)c1 ZINC000005059712 170062150 /nfs/dbraw/zinc/06/21/50/170062150.db2.gz CXABBTRWNYRLHV-OAHLLOKOSA-N -1 0 299.326 2.641 50 0 CFAARM O=C([O-])Cc1ccc(C(=O)c2ccccc2F)s1 ZINC000005344654 170088479 /nfs/dbraw/zinc/08/84/79/170088479.db2.gz VJPVYTCBVKLUMH-UHFFFAOYSA-N -1 0 264.277 2.745 50 0 CFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000005392696 170094111 /nfs/dbraw/zinc/09/41/11/170094111.db2.gz UAALDGPJWIISPB-UHFFFAOYSA-N -1 0 280.324 2.638 50 0 CFAARM C/C(=C\C(=O)NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000005827743 170144343 /nfs/dbraw/zinc/14/43/43/170144343.db2.gz HPPSJYYRDLECCN-QPJJXVBHSA-N -1 0 288.130 2.641 50 0 CFAARM CC[C@H](CCC(C)=O)COC(=O)c1ccccc1C(=O)[O-] ZINC000005925571 170156003 /nfs/dbraw/zinc/15/60/03/170156003.db2.gz HCWNFKHKKHNSSL-GFCCVEGCSA-N -1 0 292.331 2.937 50 0 in-vitro CFAARM CCOc1ccccc1Nc1nc(=O)c(C(C)(C)C)n[n-]1 ZINC000005931213 170157300 /nfs/dbraw/zinc/15/73/00/170157300.db2.gz WWEODTQCUDOVEM-UHFFFAOYSA-N -1 0 288.351 2.605 50 0 CFAARM O=c1c(Cc2ccccc2)c([O-])c2cccc3c2n1CC3 ZINC000006061452 170173230 /nfs/dbraw/zinc/17/32/30/170173230.db2.gz IIIGFLWBLKDOFD-UHFFFAOYSA-N -1 0 277.323 2.854 50 0 CFAARM O=c1cc(-c2ccccc2O)oc2cc([O-])cc(O)c12 ZINC000006095504 170176141 /nfs/dbraw/zinc/17/61/41/170176141.db2.gz OFYPDAKTVZXXPC-UHFFFAOYSA-N -1 0 270.240 2.577 50 0 biogenic,in-vitro CFAARM O=C([O-])C[C@@H]([C@H]1CC=CCC1)N1Cc2ccccc2C1=O ZINC000006283433 170188242 /nfs/dbraw/zinc/18/82/42/170188242.db2.gz HHKMTKZOZFMIAV-WFASDCNBSA-N -1 0 285.343 2.842 50 0 CFAARM O=S(=O)([N-]c1ccc(F)c(F)c1)c1ccccc1F ZINC000006316472 170190628 /nfs/dbraw/zinc/19/06/28/170190628.db2.gz PNDICGKHXAHAQA-UHFFFAOYSA-N -1 0 287.262 2.905 50 0 CFAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006706422 170230588 /nfs/dbraw/zinc/23/05/88/170230588.db2.gz MAMJTOGIFMBHPG-UHFFFAOYSA-N -1 0 299.298 2.774 50 0 CFAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCC1CCCCC1 ZINC000006727174 170233614 /nfs/dbraw/zinc/23/36/14/170233614.db2.gz DHWIYWUGVWUKSL-STQMWFEESA-N -1 0 267.369 2.574 50 0 CFAARM O=C([O-])c1cccc(OCCOc2ccccc2)c1 ZINC000006743468 170238603 /nfs/dbraw/zinc/23/86/03/170238603.db2.gz CFHDMBNOZUXRQR-UHFFFAOYSA-N -1 0 258.273 2.843 50 0 CFAARM O=c1c2ccccc2[n-]c(=S)n1C[C@H](O)c1ccccc1 ZINC000008436319 170336366 /nfs/dbraw/zinc/33/63/66/170336366.db2.gz ANDKYNDNSRPAAM-AWEZNQCLSA-N -1 0 298.367 2.793 50 0 CFAARM COc1ccc(C2=NN[C@@H](c3ccc(C(=O)[O-])cc3)C2)cc1 ZINC000008474172 170337508 /nfs/dbraw/zinc/33/75/08/170337508.db2.gz KSMIWURJJSWMKE-OAHLLOKOSA-N -1 0 296.326 2.832 50 0 CFAARM COc1ccccc1CC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000008907338 170358582 /nfs/dbraw/zinc/35/85/82/170358582.db2.gz AASPXRJLMKIWSC-UHFFFAOYSA-N -1 0 299.326 2.883 50 0 CFAARM CC[C@@H](C)Oc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000009207555 170366732 /nfs/dbraw/zinc/36/67/32/170366732.db2.gz DLDPRHOJLBRDKE-SNVBAGLBSA-N -1 0 265.309 2.667 50 0 CFAARM Cc1n[nH]c(SC(=Cc2ccc(Cl)cc2)C(=O)[O-])n1 ZINC000009357215 170373973 /nfs/dbraw/zinc/37/39/73/170373973.db2.gz NSDNYLJJJMTLHS-POHAHGRESA-N -1 0 295.751 2.984 50 0 CFAARM CC(C)CCOc1cccc(NC(=O)CCC(=O)[O-])c1 ZINC000009783944 170385562 /nfs/dbraw/zinc/38/55/62/170385562.db2.gz BPZLZIWHABXASX-UHFFFAOYSA-N -1 0 279.336 2.915 50 0 CFAARM CCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000009816632 170386043 /nfs/dbraw/zinc/38/60/43/170386043.db2.gz LLVAXVMFGWOZBK-KGLIPLIRSA-N -1 0 291.347 2.915 50 0 CFAARM Cc1onc(C(=O)[O-])c1COc1cccc(Cl)c1 ZINC000010494634 170408410 /nfs/dbraw/zinc/40/84/10/170408410.db2.gz ODSXWSDYHUCHCO-UHFFFAOYSA-N -1 0 267.668 2.914 50 0 CFAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2nncs2)cc1 ZINC000011615711 170427602 /nfs/dbraw/zinc/42/76/02/170427602.db2.gz QWVOYPOXTLXYRB-UHFFFAOYSA-N -1 0 297.405 2.636 50 0 CFAARM O=C([O-])[C@H]1CCc2sc(NC(=O)c3ccccc3)nc21 ZINC000011920126 170458857 /nfs/dbraw/zinc/45/88/57/170458857.db2.gz NHLKZTYVPMLBOD-VIFPVBQESA-N -1 0 288.328 2.510 50 0 CFAARM CCOc1cc(/C=C/C(=O)[O-])cc(OCC)c1OCC ZINC000012411416 170486259 /nfs/dbraw/zinc/48/62/59/170486259.db2.gz IZSUXLGBTOASSA-BQYQJAHWSA-N -1 0 280.320 2.981 50 0 biogenic,in-vitro CFAARM O=C1[N-]C(=O)[C@H](Nc2cc(Cl)ccc2Cl)S1 ZINC000016669642 170708046 /nfs/dbraw/zinc/70/80/46/170708046.db2.gz DPSXHVYBGJPSEO-MRVPVSSYSA-N -1 0 277.132 2.714 50 0 CFAARM CCc1cc(=O)n2[n-]c(C)c(-c3ccc(OC)cc3)c2n1 ZINC000018101752 170742426 /nfs/dbraw/zinc/74/24/26/170742426.db2.gz AQQKTQZDOOMWPC-UHFFFAOYSA-N -1 0 283.331 2.569 50 0 CFAARM O=C([O-])C(F)(F)c1cccc(Br)c1 ZINC000020213105 171075508 /nfs/dbraw/zinc/07/55/08/171075508.db2.gz CYIBFFJUPHCMOO-UHFFFAOYSA-N -1 0 251.026 2.626 50 0 CFAARM O=C([O-])/C=C/c1ccc(OCc2cccnc2)cc1 ZINC000020281935 171133115 /nfs/dbraw/zinc/13/31/15/171133115.db2.gz DZLBFBFCPDJFIO-VMPITWQZSA-N -1 0 255.273 2.758 50 0 CFAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1cc(C)on1 ZINC000020311419 171144529 /nfs/dbraw/zinc/14/45/29/171144529.db2.gz QCBXEQVBJLHCSC-GQCTYLIASA-N -1 0 289.287 2.668 50 0 CFAARM O=C([O-])c1cccc(Oc2ccnc(Cl)n2)c1 ZINC000020357716 171157600 /nfs/dbraw/zinc/15/76/00/171157600.db2.gz DDJBNNXIOUMIJH-UHFFFAOYSA-N -1 0 250.641 2.621 50 0 CFAARM CCN(Cc1ccccc1)c1cc(C(=O)[O-])ccn1 ZINC000020362503 171161720 /nfs/dbraw/zinc/16/17/20/171161720.db2.gz UOOPOSVSCZKLHE-UHFFFAOYSA-N -1 0 256.305 2.806 50 0 CFAARM O=C([O-])[C@H](NC(=O)Nc1ccccc1F)c1ccccc1 ZINC000021959546 171342215 /nfs/dbraw/zinc/34/22/15/171342215.db2.gz ZBNIHBBIOHTMMM-CYBMUJFWSA-N -1 0 288.278 2.773 50 0 CFAARM O=C([O-])[C@H]1CCCN(c2nc3ccccc3s2)C1 ZINC000022162803 171364692 /nfs/dbraw/zinc/36/46/92/171364692.db2.gz ZGKSEYKEPXUKJZ-VIFPVBQESA-N -1 0 262.334 2.597 50 0 CFAARM CCOc1ccc(Nc2nc(C(=O)[O-])cs2)cc1 ZINC000033507820 171808850 /nfs/dbraw/zinc/80/88/50/171808850.db2.gz AADDBJKWPWAKJD-UHFFFAOYSA-N -1 0 264.306 2.984 50 0 CFAARM Cc1ccc(-c2cc(CN3CCC[C@@H]3C(=O)[O-])on2)cc1 ZINC000035303274 172117103 /nfs/dbraw/zinc/11/71/03/172117103.db2.gz KRIHZVMCLWRNBU-OAHLLOKOSA-N -1 0 286.331 2.699 50 0 CFAARM CCC[C@@H](NC(=O)c1sccc1-n1cccc1)C(=O)[O-] ZINC000036837054 172740583 /nfs/dbraw/zinc/74/05/83/172740583.db2.gz PTVGKBIVLOSJQN-SNVBAGLBSA-N -1 0 292.360 2.522 50 0 CFAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc2ccccc2s1 ZINC000037415977 173193070 /nfs/dbraw/zinc/19/30/70/173193070.db2.gz BWORRFLODSUVLI-SNVBAGLBSA-N -1 0 275.329 2.591 50 0 CFAARM O=C([O-])C1CCN(C(=O)/C=C/c2ccc(Cl)s2)CC1 ZINC000037433306 173203817 /nfs/dbraw/zinc/20/38/17/173203817.db2.gz VEQDMTUARIFNKE-DUXPYHPUSA-N -1 0 299.779 2.738 50 0 CFAARM Cc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)c(C)s1 ZINC000037561526 173271853 /nfs/dbraw/zinc/27/18/53/173271853.db2.gz WOVKADNIFRRFDM-UHFFFAOYSA-N -1 0 281.377 2.738 50 0 CFAARM O=C([O-])c1ccnc(Oc2cc(F)ccc2F)c1 ZINC000040457291 174267939 /nfs/dbraw/zinc/26/79/39/174267939.db2.gz MSRGCSQKRRUWJH-UHFFFAOYSA-N -1 0 251.188 2.850 50 0 CFAARM C[C@H](CN(C)C(=O)c1csc2ccccc12)C(=O)[O-] ZINC000042890397 174902617 /nfs/dbraw/zinc/90/26/17/174902617.db2.gz POQQSKWLWYTXGV-SECBINFHSA-N -1 0 277.345 2.694 50 0 CFAARM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000043583370 175070362 /nfs/dbraw/zinc/07/03/62/175070362.db2.gz ARXHDWBYVKDXPX-ZDUSSCGKSA-N -1 0 275.348 2.712 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/nfs/dbraw/zinc/10/94/39/170109439.db2.gz HEXKULKBZMRVIF-RXMQYKEDSA-N -1 0 277.107 2.588 50 0 CFAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1cc(Cl)ccc1O ZINC000005567997 170114531 /nfs/dbraw/zinc/11/45/31/170114531.db2.gz ZIBWVAWHUSHKDM-NXEZZACHSA-N -1 0 295.722 2.651 50 0 CFAARM O=C([O-])C[C@@H](Sc1nc[nH]n1)c1ccc(Cl)cc1 ZINC000005731154 170134509 /nfs/dbraw/zinc/13/45/09/170134509.db2.gz TUAKPXQSGOXVKB-SECBINFHSA-N -1 0 283.740 2.766 50 0 CFAARM COc1c([O-])c2c(O)cc(-c3ccccc3)oc-2cc1=O ZINC000005998558 170166566 /nfs/dbraw/zinc/16/65/66/170166566.db2.gz LKOJGSWUMISDOF-UHFFFAOYSA-N -1 0 284.267 2.880 50 0 biogenic,in-vitro CFAARM O=C([O-])COc1cccc(NC(=O)CCc2ccccc2)c1 ZINC000006529419 170210640 /nfs/dbraw/zinc/21/06/40/170210640.db2.gz PBEQYVCKBOAQMV-UHFFFAOYSA-N -1 0 299.326 2.721 50 0 CFAARM O=C([O-])CSc1nc(-c2ccccc2)cs1 ZINC000008362715 170333440 /nfs/dbraw/zinc/33/34/40/170333440.db2.gz TXVPLTOTVAGBDN-UHFFFAOYSA-N -1 0 251.332 2.987 50 0 CFAARM C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000008572791 170341346 /nfs/dbraw/zinc/34/13/46/170341346.db2.gz AEXBARWSQLVVLD-YVECIDJPSA-N -1 0 267.369 2.667 50 0 CFAARM Cc1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)n1 ZINC000008678520 170345042 /nfs/dbraw/zinc/34/50/42/170345042.db2.gz KLESCWBSTUROPB-UHFFFAOYSA-N -1 0 282.752 2.844 50 0 CFAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2ncccc2C)c1 ZINC000008714959 170348804 /nfs/dbraw/zinc/34/88/04/170348804.db2.gz ZZWIWCRLGBCQMM-UHFFFAOYSA-N -1 0 276.361 2.808 50 0 CFAARM Cc1ccc(-c2cc(=O)n(-c3nc(C)cc(C)n3)[n-]2)cc1 ZINC000009170336 170365333 /nfs/dbraw/zinc/36/53/33/170365333.db2.gz SVVNWKJTMCVNKZ-UHFFFAOYSA-N -1 0 280.331 2.548 50 0 CFAARM CC(C)[C@@H](NC(=O)C1CCC(C(C)C)CC1)C(=O)[O-] ZINC000009195184 170366069 /nfs/dbraw/zinc/36/60/69/170366069.db2.gz UUPHLAFIGRTRDS-WXRRBKDZSA-N -1 0 269.385 2.674 50 0 CFAARM Cc1ccc(F)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000012774356 170509593 /nfs/dbraw/zinc/50/95/93/170509593.db2.gz AWMOJVUHRNHKJO-VXGBXAGGSA-N -1 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0 269.300 2.657 50 0 CFAARM CCCC[C@H](NC(=O)Nc1cccc(C)c1)C(=O)[O-] ZINC000035410666 172181647 /nfs/dbraw/zinc/18/16/47/172181647.db2.gz CJBXNOOWQJNMGZ-LBPRGKRZSA-N -1 0 264.325 2.760 50 0 CFAARM O=C([O-])[C@H]1C[C@@H]1c1ccc(Br)cc1F ZINC000037381113 173167917 /nfs/dbraw/zinc/16/79/17/173167917.db2.gz UUEUTHYNOREMBL-SFYZADRCSA-N -1 0 259.074 2.776 50 0 CFAARM CCCc1cc(C(=O)N2CCC[C@@H]2C(=O)[O-])sc1C ZINC000037410427 173186778 /nfs/dbraw/zinc/18/67/78/173186778.db2.gz IVAFTNAOYBOLPL-LLVKDONJSA-N -1 0 281.377 2.698 50 0 CFAARM O=C([O-])C1CCC(NC(=O)Cc2ccccc2Cl)CC1 ZINC000037561280 173271070 /nfs/dbraw/zinc/27/10/70/173271070.db2.gz WCHHJUAJULDTJU-UHFFFAOYSA-N -1 0 295.766 2.642 50 0 CFAARM CSc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000038026427 174011646 /nfs/dbraw/zinc/01/16/46/174011646.db2.gz XZXIWFWNKZFJKX-GFCCVEGCSA-N -1 0 293.388 2.878 50 0 CFAARM COc1ccc(Oc2ccccc2)c([N-]S(C)(=O)=O)c1 ZINC000040442582 174262889 /nfs/dbraw/zinc/26/28/89/174262889.db2.gz HKQJXMJGWKDFTA-UHFFFAOYSA-N -1 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FIXACBYIOWZBEA-UHFFFAOYSA-N -1 0 286.403 2.666 50 0 CFAARM CC[C@@]1(CC(=O)[O-])OCCc2c3ccccc3[nH]c21 ZINC000026259720 287431438 /nfs/dbraw/zinc/43/14/38/287431438.db2.gz OVKMSIKSGLLUIS-HNNXBMFYSA-N -1 0 259.305 2.821 50 0 CFAARM C[C@H](C(=O)[O-])N1CCc2cc(Cl)cc(Cl)c2C1 ZINC000237448881 278158677 /nfs/dbraw/zinc/15/86/77/278158677.db2.gz PDKFYSOYCRAOHE-SSDOTTSWSA-N -1 0 274.147 2.825 50 0 CFAARM CC(=O)c1c([O-])cc(C(C)C)n(-c2ccccc2)c1=O ZINC000006493143 278241913 /nfs/dbraw/zinc/24/19/13/278241913.db2.gz QXNLGEVTSNDUQA-UHFFFAOYSA-N -1 0 271.316 2.869 50 0 CFAARM CC(C)NC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095392489 279581480 /nfs/dbraw/zinc/58/14/80/279581480.db2.gz KZHAXHABDOIWKH-CQSZACIVSA-N -1 0 290.363 2.682 50 0 CFAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C2CCCCC2)C1 ZINC000247248155 281008752 /nfs/dbraw/zinc/00/87/52/281008752.db2.gz YDKCQXBLCJDOID-MCIONIFRSA-N -1 0 279.380 2.526 50 0 CFAARM CN(CC(C)(C)C)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000097017675 289496639 /nfs/dbraw/zinc/49/66/39/289496639.db2.gz UTBSIJDTBSASCF-UHFFFAOYSA-N -1 0 277.364 2.822 50 0 CFAARM Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCCCC3)c12 ZINC000005093363 300950114 /nfs/dbraw/zinc/95/01/14/300950114.db2.gz IBRJZSVYKPMMEP-UHFFFAOYSA-N -1 0 291.376 2.997 50 0 CFAARM Cc1cc(C(=O)[O-])c2cnn(-c3ccccc3F)c2n1 ZINC000012396017 301151588 /nfs/dbraw/zinc/15/15/88/301151588.db2.gz YZRUZHLSIPRKET-UHFFFAOYSA-N -1 0 271.251 2.566 50 0 CFAARM Cc1cc(F)ccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005050057 301314055 /nfs/dbraw/zinc/31/40/55/301314055.db2.gz OCBMLGRTGAUXCZ-NEPJUHHUSA-N -1 0 279.311 2.964 50 0 CFAARM Cc1cc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1C(C)C ZINC000004105008 301361034 /nfs/dbraw/zinc/36/10/34/301361034.db2.gz GOWFBWXTLWDLEK-QWHCGFSZSA-N -1 0 261.321 2.778 50 0 CFAARM Cc1cc(=O)n2nc(C34CC5CC(CC(C5)C3)C4)[n-]c2n1 ZINC000013364708 301371553 /nfs/dbraw/zinc/37/15/53/301371553.db2.gz NZSSEDVAFALIAJ-UHFFFAOYSA-N -1 0 284.363 2.606 50 0 CFAARM Cc1ccc(-n2nc3c4ccccc4[n-]c3nc2=O)cc1 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/nfs/dbraw/zinc/79/10/08/371791008.db2.gz VBEKUBZGNPEXBB-UHFFFAOYSA-N -1 0 281.308 2.635 50 0 CFAARM O=C([O-])C[C@H](c1ccsc1)N1Cc2ccccc2C1=O ZINC000003855996 371820358 /nfs/dbraw/zinc/82/03/58/371820358.db2.gz XZFCONXROBVTJR-CYBMUJFWSA-N -1 0 287.340 2.920 50 0 CFAARM COc1ccc(OC)c(-c2nc(C)sc2CC(=O)[O-])c1 ZINC000004271392 371846152 /nfs/dbraw/zinc/84/61/52/371846152.db2.gz YHVHQQAYTYXLIK-UHFFFAOYSA-N -1 0 293.344 2.763 50 0 CFAARM Cc1sc2nc(C)nc(NCCC(=O)[O-])c2c1C ZINC000004294358 371847233 /nfs/dbraw/zinc/84/72/33/371847233.db2.gz LEPVLJVEROQAAH-UHFFFAOYSA-N -1 0 265.338 2.503 50 0 CFAARM Cc1ccc(/C=C/c2nc(N)nc(-c3ccccc3[O-])n2)o1 ZINC000004281861 371847379 /nfs/dbraw/zinc/84/73/79/371847379.db2.gz LRNHALJEVHZMBB-CMDGGOBGSA-N -1 0 294.314 2.898 50 0 CFAARM O=C([O-])c1cccc(NC(=O)c2ccccc2Cl)c1O ZINC000004593317 371865547 /nfs/dbraw/zinc/86/55/47/371865547.db2.gz HYDFGSWEMTWMLC-UHFFFAOYSA-N -1 0 291.690 2.996 50 0 CFAARM Cc1nn(-c2cccc(C(=O)[O-])c2)c(C)c1Cl ZINC000004943307 371878878 /nfs/dbraw/zinc/87/88/78/371878878.db2.gz GWPKISAUZCTLPO-UHFFFAOYSA-N -1 0 250.685 2.841 50 0 CFAARM Cc1ccc(-c2cn3c(CC(=O)[O-])csc3n2)cc1 ZINC000011757383 371927882 /nfs/dbraw/zinc/92/78/82/371927882.db2.gz BHXWJRQCXKXWKG-UHFFFAOYSA-N -1 0 272.329 2.998 50 0 CFAARM O=C([O-])CCCNc1nc(C(F)(F)F)nc2ccccc21 ZINC000011768200 371930255 /nfs/dbraw/zinc/93/02/55/371930255.db2.gz YHAYCFYFRIHSRX-UHFFFAOYSA-N -1 0 299.252 2.925 50 0 CFAARM CC[C@H](NC(=O)CCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000011847625 371932354 /nfs/dbraw/zinc/93/23/54/371932354.db2.gz XVVLHZFBRNTYJW-HNNXBMFYSA-N -1 0 289.375 2.998 50 0 CFAARM C[C@@H](NC(=O)CCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000011847626 371932507 /nfs/dbraw/zinc/93/25/07/371932507.db2.gz XBBRKXLPNIARMN-LLVKDONJSA-N -1 0 275.348 2.607 50 0 CFAARM Cc1noc2nc(C3CC3)c(Cl)c(C(=O)[O-])c12 ZINC000012396217 371959077 /nfs/dbraw/zinc/95/90/77/371959077.db2.gz HWZKCPMMPXGFLI-UHFFFAOYSA-N -1 0 252.657 2.760 50 0 CFAARM C[C@@H](c1ccccc1)n1nnc2cc(C(=O)[O-])ccc21 ZINC000012401955 371960170 /nfs/dbraw/zinc/96/01/70/371960170.db2.gz WWLPLRJWUFGQNR-JTQLQIEISA-N -1 0 267.288 2.739 50 0 CFAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cccs2)C1 ZINC000012954697 372002018 /nfs/dbraw/zinc/00/20/18/372002018.db2.gz CSPYESYABXQNBZ-UWVGGRQHSA-N -1 0 297.376 2.783 50 0 CFAARM CCO[N-]C(=O)C(C)(C)Oc1ccc(Cl)cc1 ZINC000012800153 371987021 /nfs/dbraw/zinc/98/70/21/371987021.db2.gz ACMNYGHPVFNPRS-UHFFFAOYSA-N -1 0 257.717 2.565 50 0 CFAARM C[C@@H](CC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000013170732 372018535 /nfs/dbraw/zinc/01/85/35/372018535.db2.gz HCWBUTMLHCFXFB-JSGCOSHPSA-N -1 0 275.348 2.503 50 0 CFAARM COc1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000013249839 372021838 /nfs/dbraw/zinc/02/18/38/372021838.db2.gz IGCWAOCTMCGSHH-ZDUSSCGKSA-N -1 0 299.326 2.892 50 0 CFAARM COc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C)c1 ZINC000013737159 372045768 /nfs/dbraw/zinc/04/57/68/372045768.db2.gz KPWMTCVSHMAUOE-QWHCGFSZSA-N -1 0 289.331 2.609 50 0 CFAARM COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C)c1 ZINC000013737153 372046511 /nfs/dbraw/zinc/04/65/11/372046511.db2.gz KPWMTCVSHMAUOE-OLZOCXBDSA-N -1 0 289.331 2.609 50 0 CFAARM CC1CCN(Cc2nc(=O)c3sccc3[n-]2)CC1 ZINC000014020723 372056237 /nfs/dbraw/zinc/05/62/37/372056237.db2.gz RLPFXOZJXJSYRJ-UHFFFAOYSA-N -1 0 263.366 2.629 50 0 CFAARM C[C@H](NC(=O)COc1ccccc1C(=O)[O-])c1ccccc1 ZINC000013080195 372012992 /nfs/dbraw/zinc/01/29/92/372012992.db2.gz VJDPUYYVMAYFHC-LBPRGKRZSA-N -1 0 299.326 2.641 50 0 CFAARM CCOc1cc(C(=O)[O-])c(Br)cc1OC ZINC000016475412 372107190 /nfs/dbraw/zinc/10/71/90/372107190.db2.gz DVXLGUUTNVHMDI-UHFFFAOYSA-N -1 0 275.098 2.555 50 0 CFAARM COCCn1c(C)c(C(=O)[O-])cc1-c1ccc(OC)cc1 ZINC000016578574 372110420 /nfs/dbraw/zinc/11/04/20/372110420.db2.gz QMDHQGWOYLNPAX-UHFFFAOYSA-N -1 0 289.331 2.817 50 0 CFAARM CC(C)[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)[O-] ZINC000015970177 372095899 /nfs/dbraw/zinc/09/58/99/372095899.db2.gz QFLYPZNLVGILSZ-SNVBAGLBSA-N -1 0 270.716 2.571 50 0 CFAARM O=c1cc(-c2ccccc2)[n-]n1-c1ccc(F)cc1 ZINC000018217734 372146025 /nfs/dbraw/zinc/14/60/25/372146025.db2.gz LGFJMCTWDDPMOB-UHFFFAOYSA-N -1 0 254.264 2.972 50 0 CFAARM CC(C)[C@@H](NC(=O)CCC1CCCCC1)C(=O)[O-] ZINC000019282615 372154576 /nfs/dbraw/zinc/15/45/76/372154576.db2.gz UFYXPTXKDCTRTH-CYBMUJFWSA-N -1 0 255.358 2.572 50 0 CFAARM Cc1nc2ccccc2n1Cc1ccc(C(=O)[O-])o1 ZINC000019280552 372154993 /nfs/dbraw/zinc/15/49/93/372154993.db2.gz PGWJUOYOMPCBSO-UHFFFAOYSA-N -1 0 256.261 2.684 50 0 CFAARM Cc1nc2cccnc2n1-c1cc(C(=O)[O-])ccc1C ZINC000021781802 372242219 /nfs/dbraw/zinc/24/22/19/372242219.db2.gz KAFVFCZDLYETRH-UHFFFAOYSA-N -1 0 267.288 2.736 50 0 CFAARM CCc1cc2c(ncnc2N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000020318790 372236511 /nfs/dbraw/zinc/23/65/11/372236511.db2.gz NEDVBOMMZWQJRU-VIFPVBQESA-N -1 0 291.376 2.555 50 0 CFAARM Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)[O-])cc12 ZINC000021953518 372244787 /nfs/dbraw/zinc/24/47/87/372244787.db2.gz XYFFKYCMFYEPFD-UHFFFAOYSA-N -1 0 271.251 2.566 50 0 CFAARM Cc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)s1 ZINC000025463914 372300300 /nfs/dbraw/zinc/30/03/00/372300300.db2.gz PIDMSVUZWZFBER-UHFFFAOYSA-N -1 0 293.373 2.734 50 0 CFAARM C[C@@H](CN(C)c1ccc2ccc(F)cc2n1)C(=O)[O-] ZINC000263568943 383682643 /nfs/dbraw/zinc/68/26/43/383682643.db2.gz YVZYTSGNZHFBDL-VIFPVBQESA-N -1 0 262.284 2.531 50 0 CFAARM C[C@H](C(=O)[N-]OCc1ccccc1)n1cnc2ccccc21 ZINC000030605743 372395619 /nfs/dbraw/zinc/39/56/19/372395619.db2.gz QCGZVDDVHPLXIE-CYBMUJFWSA-N -1 0 295.342 2.845 50 0 CFAARM O=C([O-])/C=C\C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000031475491 372410894 /nfs/dbraw/zinc/41/08/94/372410894.db2.gz YDCIVHVKWOTWES-UPHRSURJSA-N -1 0 260.076 2.573 50 0 CFAARM Cc1ccc([N-]S(=O)(=O)c2cccs2)c(O)c1 ZINC000035081931 372534850 /nfs/dbraw/zinc/53/48/50/372534850.db2.gz BNBDCWAJVHQJBS-UHFFFAOYSA-N -1 0 269.347 2.563 50 0 CFAARM Cc1nnc([N-]C(=O)c2cc(-c3ccccc3)no2)s1 ZINC000033152886 372484971 /nfs/dbraw/zinc/48/49/71/372484971.db2.gz LKNQULAXCPOUNK-UHFFFAOYSA-N -1 0 286.316 2.754 50 0 CFAARM O=C([O-])/C=C\C(=O)Nc1ccc(SC(F)F)cc1 ZINC000033927686 372502036 /nfs/dbraw/zinc/50/20/36/372502036.db2.gz UJTWYFFPMVLPAB-WAYWQWQTSA-N -1 0 273.260 2.581 50 0 CFAARM CCc1nccn1Cc1cc(/C=C/C(=O)[O-])ccc1OC ZINC000034925027 372516474 /nfs/dbraw/zinc/51/64/74/372516474.db2.gz ZFDWIDPBIBARMQ-FNORWQNLSA-N -1 0 286.331 2.600 50 0 CFAARM O=C([O-])Cc1csc(-c2ccc(F)c(F)c2)n1 ZINC000036888302 372606395 /nfs/dbraw/zinc/60/63/95/372606395.db2.gz YMZPOYXKTZBOSW-UHFFFAOYSA-N -1 0 255.245 2.715 50 0 CFAARM Cc1ccc(CN(CC(=O)[O-])c2ccccc2)c(C)n1 ZINC000263581633 383683663 /nfs/dbraw/zinc/68/36/63/383683663.db2.gz XKIJYWRARZCDAF-UHFFFAOYSA-N -1 0 270.332 2.790 50 0 CFAARM CCC[C@H](C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000037918719 372738170 /nfs/dbraw/zinc/73/81/70/372738170.db2.gz ITGFPYDZBXADQY-NSHDSACASA-N -1 0 263.337 2.779 50 0 CFAARM O=C([O-])c1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000238000623 189896764 /nfs/dbraw/zinc/89/67/64/189896764.db2.gz MNXBUPWHSLQAPE-ZDUSSCGKSA-N -1 0 299.326 2.683 50 0 CFAARM O=C([O-])C1CCN(C(=O)CCc2cccc(Cl)c2)CC1 ZINC000238102404 189899389 /nfs/dbraw/zinc/89/93/89/189899389.db2.gz KTJXSXONWPWMHA-UHFFFAOYSA-N -1 0 295.766 2.596 50 0 CFAARM O=C([O-])c1ccc(NC(=O)c2ccoc2)cc1Cl ZINC000042417389 372919427 /nfs/dbraw/zinc/91/94/27/372919427.db2.gz MBKOCTKOFMWDGO-UHFFFAOYSA-N -1 0 265.652 2.884 50 0 CFAARM COc1ccc(C(=O)CC(C)(C)C(=O)[O-])c(C)c1 ZINC000043215044 372983048 /nfs/dbraw/zinc/98/30/48/372983048.db2.gz NRXNZLOZUPGSDA-UHFFFAOYSA-N -1 0 250.294 2.687 50 0 CFAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)NCC1CCCCC1 ZINC000017023320 304174358 /nfs/dbraw/zinc/17/43/58/304174358.db2.gz YTJCLCKKWLVVMD-CVSAEHQPSA-N -1 0 293.407 2.820 50 0 CFAARM O=C([O-])[C@H]1CC(=O)N(C2CCCCC2)[C@H]1c1ccccc1 ZINC000001394493 304174492 /nfs/dbraw/zinc/17/44/92/304174492.db2.gz RJUKZKFCEJJYRU-HOCLYGCPSA-N -1 0 287.359 2.994 50 0 CFAARM O=C([O-])[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 ZINC000022238575 304174853 /nfs/dbraw/zinc/17/48/53/304174853.db2.gz HMPIZBBMBPLROU-ZDUSSCGKSA-N 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ZINC000002483136 169794366 /nfs/dbraw/zinc/79/43/66/169794366.db2.gz CKVYUNHHSGWDMH-UHFFFAOYSA-N -1 0 268.696 2.737 50 0 CFAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])C1CCCCC1 ZINC000002504644 169796535 /nfs/dbraw/zinc/79/65/35/169796535.db2.gz QSUXZIPXYDQFCX-SNVBAGLBSA-N -1 0 257.330 2.545 50 0 in-vitro CFAARM CC(C)(C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002561179 169809168 /nfs/dbraw/zinc/80/91/68/169809168.db2.gz ARVUWUDYYMENSJ-GFCCVEGCSA-N -1 0 279.336 2.802 50 0 CFAARM O=C([O-])Cc1ccc(OCCc2ccccc2)cc1 ZINC000004237850 169946632 /nfs/dbraw/zinc/94/66/32/169946632.db2.gz SUFVSGPQUUMMDC-UHFFFAOYSA-N -1 0 256.301 2.935 50 0 CFAARM O=C([O-])c1ccc(NC(=O)COc2ccc(F)cc2)cc1 ZINC000004825604 170024683 /nfs/dbraw/zinc/02/46/83/170024683.db2.gz DMPFGXYHTKZYMW-UHFFFAOYSA-N -1 0 289.262 2.541 50 0 CFAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ccccn2)cc1C ZINC000004844921 170029597 /nfs/dbraw/zinc/02/95/97/170029597.db2.gz JVFYITAJOZYJQC-UHFFFAOYSA-N -1 0 276.361 2.808 50 0 CFAARM COc1ccc([C@H]2Cc3[nH]c(C(=O)[O-])c(C)c3C(=O)C2)cc1 ZINC000004869953 170034913 /nfs/dbraw/zinc/03/49/13/170034913.db2.gz UMRAQPSYGCONKZ-NSHDSACASA-N -1 0 299.326 2.943 50 0 CFAARM C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004990117 170050837 /nfs/dbraw/zinc/05/08/37/170050837.db2.gz AEXBARWSQLVVLD-XQHKEYJVSA-N -1 0 267.369 2.667 50 0 CFAARM C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000005059772 170062089 /nfs/dbraw/zinc/06/20/89/170062089.db2.gz ZVFIBFRTHAJKOA-LLVKDONJSA-N -1 0 285.299 2.791 50 0 CFAARM COc1cc(OC)c(/C=C/C(=O)[O-])cc1Br ZINC000005061415 170062430 /nfs/dbraw/zinc/06/24/30/170062430.db2.gz BWWHSNRSZPESIE-ONEGZZNKSA-N -1 0 287.109 2.564 50 0 CFAARM O=C([O-])c1ccccc1OCC(=O)Nc1ccc(F)cc1 ZINC000005175380 170073447 /nfs/dbraw/zinc/07/34/47/170073447.db2.gz MUGGSYBLJFZKIT-UHFFFAOYSA-N -1 0 289.262 2.541 50 0 CFAARM Cc1ccccc1OCc1nc(CC(=O)[O-])cs1 ZINC000005175352 170073570 /nfs/dbraw/zinc/07/35/70/170073570.db2.gz QSZIZOVZRCSNJO-UHFFFAOYSA-N -1 0 263.318 2.658 50 0 CFAARM CC(C)C[C@@H](NC(=O)Nc1cccc(Cl)c1)C(=O)[O-] ZINC000005380739 170091886 /nfs/dbraw/zinc/09/18/86/170091886.db2.gz GRSKPXWYWZQJRR-LLVKDONJSA-N -1 0 284.743 2.961 50 0 CFAARM CC(C)[C@H](NC(=O)NC1CCCCCCC1)C(=O)[O-] ZINC000005388372 170093558 /nfs/dbraw/zinc/09/35/58/170093558.db2.gz DYBKCXHEGHQOBB-LBPRGKRZSA-N -1 0 270.373 2.508 50 0 CFAARM Cc1ccccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000005421748 170097700 /nfs/dbraw/zinc/09/77/00/170097700.db2.gz LLSLLRLEIJEUID-UHFFFAOYSA-N -1 0 269.300 2.874 50 0 CFAARM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)cc1C ZINC000005425395 170098086 /nfs/dbraw/zinc/09/80/86/170098086.db2.gz JTTYNHWUSOYUGL-GFCCVEGCSA-N -1 0 264.325 2.534 50 0 CFAARM C/C(=C\C(=O)Nc1cccc(Cl)c1Cl)C(=O)[O-] ZINC000005516744 170107123 /nfs/dbraw/zinc/10/71/23/170107123.db2.gz YRJCXVYLKRQYCY-AATRIKPKSA-N -1 0 274.103 2.963 50 0 CFAARM CCOc1ccc(-c2nc(CC(=O)[O-])cs2)cc1 ZINC000005592327 170116902 /nfs/dbraw/zinc/11/69/02/170116902.db2.gz JPVXSDGSCKFBFK-UHFFFAOYSA-N -1 0 263.318 2.836 50 0 CFAARM C[C@@H](Oc1ccccc1)C(=O)[N-]OCc1ccccc1 ZINC000005674140 170126914 /nfs/dbraw/zinc/12/69/14/170126914.db2.gz CTGRBQGCTRZBJB-CYBMUJFWSA-N -1 0 271.316 2.702 50 0 CFAARM Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)nc1 ZINC000006502356 170207626 /nfs/dbraw/zinc/20/76/26/170207626.db2.gz BDZXYHGEGHGDJI-UHFFFAOYSA-N -1 0 276.361 2.808 50 0 CFAARM CCCCS(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000006699049 170228221 /nfs/dbraw/zinc/22/82/21/170228221.db2.gz PRFYWUZEVVPPIB-UHFFFAOYSA-N -1 0 274.411 2.564 50 0 CFAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccon2)cc1 ZINC000006706526 170231127 /nfs/dbraw/zinc/23/11/27/170231127.db2.gz MTTSEBDPQHZZRY-SNVBAGLBSA-N -1 0 280.349 2.989 50 0 CFAARM CCCOc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000007428382 170284492 /nfs/dbraw/zinc/28/44/92/170284492.db2.gz LLOWISSSORRQSF-UHFFFAOYSA-N -1 0 292.360 2.671 50 0 CFAARM CC(C)SC1=NC(=O)C(Cc2ccccc2)C([O-])=N1 ZINC000008572968 170341205 /nfs/dbraw/zinc/34/12/05/170341205.db2.gz SZBDLKPWASRUQL-UHFFFAOYSA-N -1 0 276.361 2.979 50 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CFAARM CCC(=O)c1ccc(OCCCCC(=O)[O-])cc1 ZINC000020474299 171218618 /nfs/dbraw/zinc/21/86/18/171218618.db2.gz CNCXTAFWDQHHGT-UHFFFAOYSA-N -1 0 250.294 2.913 50 0 CFAARM O=C(COc1ccc(F)cc1F)[N-]OCc1ccccc1 ZINC000024861098 171442070 /nfs/dbraw/zinc/44/20/70/171442070.db2.gz QOXFIKORKZYUEF-UHFFFAOYSA-N -1 0 293.269 2.592 50 0 CFAARM CCN(CC)c1nc2ccccc2nc1SCC(=O)[O-] ZINC000036724652 172661334 /nfs/dbraw/zinc/66/13/34/172661334.db2.gz IBPHPZKLBTYFDH-UHFFFAOYSA-N -1 0 291.376 2.653 50 0 CFAARM CCOc1cc2c(cc1[C@@H]1C[C@H]1C(=O)[O-])O[C@H](C)C2 ZINC000037380669 173167364 /nfs/dbraw/zinc/16/73/64/173167364.db2.gz DMDVIBGYZMPAGS-UBHAPETDSA-N -1 0 262.305 2.597 50 0 CFAARM Cc1cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])c(C)s1 ZINC000037430865 173201886 /nfs/dbraw/zinc/20/18/86/173201886.db2.gz TYWNGGKGKIRHPE-NSHDSACASA-N -1 0 269.366 2.594 50 0 CFAARM Cc1csc(SCC(=O)[N-]OCc2ccccc2)n1 ZINC000040456997 174267444 /nfs/dbraw/zinc/26/74/44/174267444.db2.gz JAMULVXBNHNLJS-UHFFFAOYSA-N -1 0 294.401 2.792 50 0 CFAARM CCO[N-]C(=O)CSCc1ccc(Cl)s1 ZINC000040476687 174282607 /nfs/dbraw/zinc/28/26/07/174282607.db2.gz LLCQOKNXHUAQJT-UHFFFAOYSA-N -1 0 265.787 2.702 50 0 CFAARM CC(C)C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000045796054 175384154 /nfs/dbraw/zinc/38/41/54/175384154.db2.gz KWAMTFCTHYNNBM-CQSZACIVSA-N -1 0 275.348 2.747 50 0 CFAARM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c(=O)c1C ZINC000045929935 175387535 /nfs/dbraw/zinc/38/75/35/175387535.db2.gz JEMRLNNPOFCWRO-UHFFFAOYSA-N -1 0 280.711 2.716 50 0 CFAARM CC(=O)Nc1ccc(N(C)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000046053369 175390840 /nfs/dbraw/zinc/39/08/40/175390840.db2.gz AATLWGRPURIRHQ-UHFFFAOYSA-N -1 0 298.342 2.980 50 0 CFAARM CCCCN(C)c1ccc(NC(=O)CC)cc1C(=O)[O-] ZINC000046053314 175390859 /nfs/dbraw/zinc/39/08/59/175390859.db2.gz JCIFNIQGNJTXRU-UHFFFAOYSA-N -1 0 278.352 2.970 50 0 CFAARM Cc1ccc(F)c(C(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000052981066 175541758 /nfs/dbraw/zinc/54/17/58/175541758.db2.gz OEZWBPKCPDTYOK-UHFFFAOYSA-N -1 0 267.300 2.507 50 0 CFAARM CC(C)c1ccc(O)c(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071283429 176109139 /nfs/dbraw/zinc/10/91/39/176109139.db2.gz IDJCHPFBACFDDU-QWHCGFSZSA-N -1 0 291.347 2.811 50 0 CFAARM Cc1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000071405215 176155283 /nfs/dbraw/zinc/15/52/83/176155283.db2.gz IRASFFDIGLTBKR-VXGBXAGGSA-N -1 0 261.321 2.743 50 0 CFAARM O=C([O-])CCc1c[nH]c(-c2cccc(Cl)c2)n1 ZINC000071572760 176198702 /nfs/dbraw/zinc/19/87/02/176198702.db2.gz LOIDYTJUKJEZPQ-UHFFFAOYSA-N -1 0 250.685 2.747 50 0 CFAARM Cc1sc([N-]c2nccc(C)n2)nc1-c1cn[nH]c1 ZINC000072188048 176335954 /nfs/dbraw/zinc/33/59/54/176335954.db2.gz MIQNXKWDQRNHAU-UHFFFAOYSA-N -1 0 272.337 2.684 50 0 in-vitro CFAARM COc1ccc(-c2nc(C)c(C(=O)[O-])s2)c(F)c1 ZINC000077600456 177283539 /nfs/dbraw/zinc/28/35/39/177283539.db2.gz PWFQHMKSZOAEBH-UHFFFAOYSA-N -1 0 267.281 2.964 50 0 CFAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NCc1cccs1 ZINC000006699139 260023819 /nfs/dbraw/zinc/02/38/19/260023819.db2.gz 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/nfs/dbraw/zinc/34/21/09/280342109.db2.gz URWHMYCCVVZIDE-NSHDSACASA-N -1 0 282.752 2.524 50 0 CFAARM CC(C)c1ccc(C(=O)/N=c2\[n-]nc3ccccn32)cc1 ZINC000031775494 280590025 /nfs/dbraw/zinc/59/00/25/280590025.db2.gz AEYVYPRLNHWLAG-UHFFFAOYSA-N -1 0 280.331 2.527 50 0 CFAARM CC(C)c1ocnc1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000096479720 280739388 /nfs/dbraw/zinc/73/93/88/280739388.db2.gz LGYAJOFRDBUOPH-UHFFFAOYSA-N -1 0 274.276 2.749 50 0 CFAARM CC1(C)[C@H](C(=O)N2CCCCC2)CC[C@@]1(C)C(=O)[O-] ZINC000000249956 281464818 /nfs/dbraw/zinc/46/48/18/281464818.db2.gz PIADNPDPQSZWDH-NHYWBVRUSA-N -1 0 267.369 2.526 50 0 CFAARM COc1cc2cc(C(=O)[O-])c(Cl)nc2cc1OC ZINC000011985732 295043659 /nfs/dbraw/zinc/04/36/59/295043659.db2.gz UODWBQKRSVKNLC-UHFFFAOYSA-N -1 0 267.668 2.604 50 0 CFAARM COc1ccc(-c2cc(C(=O)[O-])c3c(C)noc3n2)cc1 ZINC000012394739 295046152 /nfs/dbraw/zinc/04/61/52/295046152.db2.gz BDPROYIKHJBWFQ-UHFFFAOYSA-N -1 0 284.271 2.905 50 0 CFAARM COc1ccc(-c2cn3cc(C(=O)[O-])ccc3n2)cc1 ZINC000036383290 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283.274 2.794 50 0 CFAARM O=C([O-])c1cc(-c2ccc(F)c(Br)c2)[nH]n1 ZINC000081558756 539888200 /nfs/dbraw/zinc/88/82/00/539888200.db2.gz HUSHQPNRMXVBEG-UHFFFAOYSA-N -1 0 285.072 2.677 50 0 CFAARM O=C([N-]CCc1ccccc1Br)C(F)(F)F ZINC000140380401 187907853 /nfs/dbraw/zinc/90/78/53/187907853.db2.gz QSRMSKQYDZYJCN-UHFFFAOYSA-N -1 0 296.086 2.670 50 0 CFAARM CCN(Cc1ccccc1Cl)C(=O)C1(C(=O)[O-])CC1 ZINC000154785657 188161810 /nfs/dbraw/zinc/16/18/10/188161810.db2.gz OWJLEJNHFPRKQF-UHFFFAOYSA-N -1 0 281.739 2.553 50 0 CFAARM CCCCOC(=O)/C(C#N)=C\c1cc(C(=O)[O-])cs1 ZINC000095943458 539990325 /nfs/dbraw/zinc/99/03/25/539990325.db2.gz GBTJPERMPMKEJC-UITAMQMPSA-N -1 0 279.317 2.697 50 0 CFAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccccc1 ZINC000050921130 304062758 /nfs/dbraw/zinc/06/27/58/304062758.db2.gz BRPFTHFCVMRIIY-CYBMUJFWSA-N -1 0 261.321 2.546 50 0 CFAARM O=C([O-])C[C@H](CC(=O)Nc1cccnc1)c1ccccc1 ZINC000226748923 304081437 /nfs/dbraw/zinc/08/14/37/304081437.db2.gz SBSPFKQAXOCDMX-ZDUSSCGKSA-N -1 0 284.315 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CFAARM O=C([O-])C(NC(=O)c1ccc(Cl)cc1)=C(Cl)Cl ZINC000000374172 371598556 /nfs/dbraw/zinc/59/85/56/371598556.db2.gz FDIWPUNLGXQNPP-UHFFFAOYSA-N -1 0 294.521 2.801 50 0 CFAARM CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000000377238 371599062 /nfs/dbraw/zinc/59/90/62/371599062.db2.gz YKJBBJYORBOEOO-HTQZYQBOSA-N -1 0 291.273 2.915 50 0 CFAARM Cc1ccc(-n2c(Cl)c(Cl)nc([O-])c2=O)cc1 ZINC000000383893 371602109 /nfs/dbraw/zinc/60/21/09/371602109.db2.gz QHEAMMAWYIVSEH-UHFFFAOYSA-N -1 0 271.103 2.553 50 0 CFAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1C ZINC000000398300 371605271 /nfs/dbraw/zinc/60/52/71/371605271.db2.gz ALDOTQLTSDBMCJ-KBPBESRZSA-N -1 0 273.332 2.909 50 0 CFAARM Cc1oc2ccc(OCC(=O)[O-])cc2c1C(=O)OC(C)C ZINC000000407135 371606098 /nfs/dbraw/zinc/60/60/98/371606098.db2.gz ARGFDNOGKMHRLJ-UHFFFAOYSA-N -1 0 292.287 2.770 50 0 CFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C)c(Cl)c1 ZINC000000428632 371612945 /nfs/dbraw/zinc/61/29/45/371612945.db2.gz FNMBMOPRQYGIPC-UHFFFAOYSA-N 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284.267 2.880 50 0 biogenic,in-vivo CFAARM CCCOc1cc(C)cc2oc(=O)c(CC(=O)[O-])c(C)c12 ZINC000001805694 371707588 /nfs/dbraw/zinc/70/75/88/371707588.db2.gz KTNJGBQMZDMDRD-UHFFFAOYSA-N -1 0 290.315 2.826 50 0 CFAARM CCCC[C@@H](Nc1ncnc2ccccc21)C(=O)[O-] ZINC000001912276 371710379 /nfs/dbraw/zinc/71/03/79/371710379.db2.gz GRSZPSULRZQMOD-GFCCVEGCSA-N -1 0 259.309 2.685 50 0 CFAARM [O-]c1cc(I)ccc1Cl ZINC000002028900 371713818 /nfs/dbraw/zinc/71/38/18/371713818.db2.gz NNZXUSFOILSDCS-UHFFFAOYSA-N -1 0 254.454 2.650 50 0 CFAARM CCCC[C@H](NC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000002058468 371715707 /nfs/dbraw/zinc/71/57/07/371715707.db2.gz PSCFIRBVJZFFBE-NSHDSACASA-N -1 0 269.728 2.713 50 0 CFAARM CCCNC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000002184466 371719092 /nfs/dbraw/zinc/71/90/92/371719092.db2.gz PUCLNBUNOJWJSE-UHFFFAOYSA-N -1 0 256.689 2.570 50 0 CFAARM Cc1cccc(C[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1 ZINC000002385822 371724686 /nfs/dbraw/zinc/72/46/86/371724686.db2.gz JTZSMOJWZPUZGN-CYBMUJFWSA-N -1 0 293.363 2.906 50 0 CFAARM CSCC[C@H](NC(=O)Nc1cc(C)cc(C)c1)C(=O)[O-] ZINC000002428226 371726211 /nfs/dbraw/zinc/72/62/11/371726211.db2.gz OZEWUBUJHBMOKJ-LBPRGKRZSA-N -1 0 296.392 2.631 50 0 CFAARM COc1cccc(C(=O)CCCCC(=O)[O-])c1OC ZINC000002580012 371740276 /nfs/dbraw/zinc/74/02/76/371740276.db2.gz SUXHKLKUXVORJA-UHFFFAOYSA-N -1 0 266.293 2.532 50 0 CFAARM CC(=O)c1ccc(OCc2ccc(C(=O)[O-])o2)cc1 ZINC000002521393 371731354 /nfs/dbraw/zinc/73/13/54/371731354.db2.gz LVRXELBJNRHQLM-UHFFFAOYSA-N -1 0 260.245 2.759 50 0 CFAARM COc1cccc(C(=O)CCCCCC(=O)[O-])c1OC ZINC000002580013 371740393 /nfs/dbraw/zinc/74/03/93/371740393.db2.gz BSBDJZCVPBBRNW-UHFFFAOYSA-N -1 0 280.320 2.922 50 0 CFAARM COc1cc(C(=O)[O-])ccc1NC(=O)OC(C)(C)C ZINC000002582967 371740941 /nfs/dbraw/zinc/74/09/41/371740941.db2.gz KVXONAJLCIBQKV-UHFFFAOYSA-N -1 0 267.281 2.740 50 0 CFAARM CC(C)(C)OC(=O)N1CCC(CCCC(=O)[O-])CC1 ZINC000002527171 371733259 /nfs/dbraw/zinc/73/32/59/371733259.db2.gz OAFRZYWOCMCWMM-UHFFFAOYSA-N -1 0 271.357 2.888 50 0 CFAARM CN(C(=O)OC(C)(C)C)c1ccc(C(=O)[O-])cc1 ZINC000002539866 371735169 /nfs/dbraw/zinc/73/51/69/371735169.db2.gz VRQKKKZQZSNRKD-UHFFFAOYSA-N -1 0 251.282 2.756 50 0 in-vitro CFAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1F ZINC000002562190 371735992 /nfs/dbraw/zinc/73/59/92/371735992.db2.gz LRQMZKYMRFITJK-BQBZGAKWSA-N -1 0 291.200 2.504 50 0 CFAARM Cc1c(Br)c(C(F)F)nn1[C@H](C)C(=O)[O-] ZINC000002549561 371736058 /nfs/dbraw/zinc/73/60/58/371736058.db2.gz VUAUDUXAVGRFTM-SCSAIBSYSA-N -1 0 283.072 2.537 50 0 CFAARM CCCCCCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000001603761 371686678 /nfs/dbraw/zinc/68/66/78/371686678.db2.gz RXTMILRUDMNUMR-RYUDHWBXSA-N -1 0 255.358 2.574 50 0 CFAARM CC(=O)c1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000002729459 371748099 /nfs/dbraw/zinc/74/80/99/371748099.db2.gz MLPFDTLCMOBABK-KBPBESRZSA-N -1 0 289.331 2.719 50 0 CFAARM O=C([O-])CCCC(=O)OCCCCc1cccs1 ZINC000002839273 371758868 /nfs/dbraw/zinc/75/88/68/371758868.db2.gz SLLBJPODWZUPEE-UHFFFAOYSA-N -1 0 270.350 2.869 50 0 CFAARM CCCCSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002583229 371741092 /nfs/dbraw/zinc/74/10/92/371741092.db2.gz LXZZDLUCLKSJJD-SNVBAGLBSA-N -1 0 291.413 2.888 50 0 CFAARM CC1(C)[C@@H]([C@H](O)[C@H](O)c2ccccc2)CC[C@]1(C)C(=O)[O-] ZINC000003846035 371820005 /nfs/dbraw/zinc/82/00/05/371820005.db2.gz DIDBNOMHOXVHIY-VWPFQQQWSA-N -1 0 292.375 2.608 50 0 CFAARM O=C([O-])CCSCC(=O)c1ccc(OC(F)F)cc1 ZINC000003893298 371824532 /nfs/dbraw/zinc/82/45/32/371824532.db2.gz QAFUSUGBNWUMPV-UHFFFAOYSA-N -1 0 290.287 2.679 50 0 CFAARM CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1CC(=O)[O-] ZINC000004240524 371843854 /nfs/dbraw/zinc/84/38/54/371843854.db2.gz ZQBQAMXKTHNSQM-CYBMUJFWSA-N -1 0 291.347 2.823 50 0 CFAARM Cc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c(C)c1 ZINC000004241898 371844177 /nfs/dbraw/zinc/84/41/77/371844177.db2.gz AVJPLTQARRYWFZ-ZDUSSCGKSA-N -1 0 293.363 2.824 50 0 CFAARM O=c1cnnc(SCc2cccc(C(F)(F)F)c2)[n-]1 ZINC000004248971 371844223 /nfs/dbraw/zinc/84/42/23/371844223.db2.gz SOPAYUZWJPJBAE-UHFFFAOYSA-N -1 0 287.266 2.888 50 0 CFAARM COc1ccc(S(=O)(=O)[N-]c2ncccc2C)cc1C ZINC000004411687 371855683 /nfs/dbraw/zinc/85/56/83/371855683.db2.gz YVBPBPWCCWPOCD-UHFFFAOYSA-N -1 0 292.360 2.508 50 0 CFAARM CCCOc1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000004681158 371873950 /nfs/dbraw/zinc/87/39/50/371873950.db2.gz LNLFIJXWZDFMJH-UHFFFAOYSA-N -1 0 265.309 2.669 50 0 CFAARM Cc1nc2c3ccccc3oc2c(SCC(=O)[O-])n1 ZINC000004171573 371839127 /nfs/dbraw/zinc/83/91/27/371839127.db2.gz JHLCUCIMYQTBFY-UHFFFAOYSA-N -1 0 274.301 2.861 50 0 CFAARM C[C@H](Cn1nc(C(F)(F)F)cc1C1CC1)C(=O)[O-] ZINC000011920551 371935684 /nfs/dbraw/zinc/93/56/84/371935684.db2.gz NNGRBOQPLNVKLZ-ZCFIWIBFSA-N -1 0 262.231 2.500 50 0 CFAARM Cc1ccc(O[C@H](C)C(=O)[O-])c(Br)c1 ZINC000011994800 371941614 /nfs/dbraw/zinc/94/16/14/371941614.db2.gz GHHXWCJVBYFPLG-SSDOTTSWSA-N -1 0 259.099 2.609 50 0 CFAARM Cc1nc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])sc1C ZINC000006255057 371889225 /nfs/dbraw/zinc/88/92/25/371889225.db2.gz DJKSMDQQWSHWMA-UWVGGRQHSA-N -1 0 282.365 2.589 50 0 CFAARM CCOC(=O)c1cc(=O)n(-c2ccc(Cl)cc2C)[n-]1 ZINC000006499530 371890374 /nfs/dbraw/zinc/89/03/74/371890374.db2.gz KZQBAOBPSXNXAE-UHFFFAOYSA-N -1 0 280.711 2.716 50 0 CFAARM CC(C)CNC(=O)c1cccc2cccc(C(=O)[O-])c21 ZINC000012382280 371957209 /nfs/dbraw/zinc/95/72/09/371957209.db2.gz QICYPKYBXJYQFU-UHFFFAOYSA-N -1 0 271.316 2.924 50 0 CFAARM Cc1nn(Cc2ccccc2)c2nc(C)cc(C(=O)[O-])c12 ZINC000012394282 371958301 /nfs/dbraw/zinc/95/83/01/371958301.db2.gz LLLVXJSFYCPFLA-UHFFFAOYSA-N -1 0 281.315 2.795 50 0 CFAARM O=C([O-])Cn1nc(C2CC2)c2c1nccc2-c1ccco1 ZINC000012395288 371959333 /nfs/dbraw/zinc/95/93/33/371959333.db2.gz BDZOBOGXRGZULL-UHFFFAOYSA-N -1 0 283.287 2.653 50 0 CFAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(F)ccc1F ZINC000012790866 371986802 /nfs/dbraw/zinc/98/68/02/371986802.db2.gz HWTWGQHXDFESJA-UWVGGRQHSA-N -1 0 281.258 2.570 50 0 CFAARM CCc1c(C)nc2c(-c3ccccc3)c(C)[n-]n2c1=O ZINC000013115126 372014890 /nfs/dbraw/zinc/01/48/90/372014890.db2.gz TYZOMOPJLSMDJB-UHFFFAOYSA-N -1 0 267.332 2.869 50 0 CFAARM O=C([O-])c1cc(NN=Cc2cccnc2)ccc1Cl ZINC000013144810 372017105 /nfs/dbraw/zinc/01/71/05/372017105.db2.gz SUOIONURGSGMPL-UHFFFAOYSA-N -1 0 275.695 2.879 50 0 CFAARM C[C@H](CC(=O)N1CCC(C(=O)[O-])CC1)c1ccccc1 ZINC000013167229 372018802 /nfs/dbraw/zinc/01/88/02/372018802.db2.gz BHDAZOVFDPFWTC-GFCCVEGCSA-N -1 0 275.348 2.503 50 0 CFAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccc3ccccc3c2)C1 ZINC000013171116 372020186 /nfs/dbraw/zinc/02/01/86/372020186.db2.gz LUYCEPWFKQTDOU-INIZCTEOSA-N -1 0 297.354 2.706 50 0 CFAARM O=C([O-])C[C@@H](NC(=O)C1CCC1)c1ccccc1Cl ZINC000013172644 372020376 /nfs/dbraw/zinc/02/03/76/372020376.db2.gz QOPJTQDYBLYUNE-GFCCVEGCSA-N -1 0 281.739 2.772 50 0 CFAARM CCc1ccc(Nc2nc(=O)c(C(C)(C)C)n[n-]2)cc1 ZINC000016776957 372120150 /nfs/dbraw/zinc/12/01/50/372120150.db2.gz FVTKDJSCOMWKIF-UHFFFAOYSA-N -1 0 272.352 2.768 50 0 CFAARM CC[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000019283196 372154854 /nfs/dbraw/zinc/15/48/54/372154854.db2.gz GLZOXOAYUSXTQH-UONOGXRCSA-N -1 0 275.348 2.646 50 0 CFAARM CCCc1cc(=O)n2[n-]c(COC)c(-c3ccccc3)c2n1 ZINC000017028869 372126100 /nfs/dbraw/zinc/12/61/00/372126100.db2.gz RYTKWIUVAQGNTO-UHFFFAOYSA-N -1 0 297.358 2.789 50 0 CFAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)NCC1CCCCC1 ZINC000017023317 372126291 /nfs/dbraw/zinc/12/62/91/372126291.db2.gz YTJCLCKKWLVVMD-NEXFUWMNSA-N -1 0 293.407 2.820 50 0 CFAARM O=C([O-])CCc1nc(-c2ccccc2Br)no1 ZINC000017087020 372128130 /nfs/dbraw/zinc/12/81/30/372128130.db2.gz QRTXQLGCNGCFMH-UHFFFAOYSA-N -1 0 297.108 2.516 50 0 CFAARM O=[P@]([O-])(CO)[C@H](NCc1ccccc1)c1ccccc1 ZINC000020028817 372219449 /nfs/dbraw/zinc/21/94/49/372219449.db2.gz DKQJTMXNLDDQLA-HNNXBMFYSA-N -1 0 291.287 2.695 50 0 CFAARM O=C([O-])c1cnc2ccccc2c1Nc1ccc(O)cc1 ZINC000019795541 372190494 /nfs/dbraw/zinc/19/04/94/372190494.db2.gz AVNQLXFHSMNICJ-UHFFFAOYSA-N -1 0 280.283 2.804 50 0 CFAARM Cn1c2ccccc2c(Br)c1C(=O)[O-] ZINC000026461615 372321833 /nfs/dbraw/zinc/32/18/33/372321833.db2.gz IJYYDLASNYBAOR-UHFFFAOYSA-N -1 0 254.083 2.639 50 0 CFAARM Nc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[O-])cc1 ZINC000027516677 372341139 /nfs/dbraw/zinc/34/11/39/372341139.db2.gz RRJVVDUPWNLZSO-UHFFFAOYSA-N -1 0 279.299 2.820 50 0 CFAARM CCC(CC)(CC(=O)NCc1sccc1C)C(=O)[O-] ZINC000028901107 372371191 /nfs/dbraw/zinc/37/11/91/372371191.db2.gz FAFJTMHPIPEUEY-UHFFFAOYSA-N -1 0 283.393 2.954 50 0 CFAARM O=C([O-])c1cnc2c(OC(F)(F)F)cccc2c1O ZINC000032500292 372441586 /nfs/dbraw/zinc/44/15/86/372441586.db2.gz PAQOAIXSLIRCTC-UHFFFAOYSA-N -1 0 273.166 2.537 50 0 CFAARM COc1ccc(Cl)cc1C(=O)CCCC(=O)[O-] ZINC000034183885 372506273 /nfs/dbraw/zinc/50/62/73/372506273.db2.gz MQWKMHFRUKBXQO-UHFFFAOYSA-N -1 0 256.685 2.786 50 0 CFAARM CCC[C@H](NC(=O)c1cc2ccccc2s1)C(=O)[O-] ZINC000036837288 372601241 /nfs/dbraw/zinc/60/12/41/372601241.db2.gz BTDRACPQFDPSTM-JTQLQIEISA-N -1 0 277.345 2.884 50 0 CFAARM O=C([O-])c1ccc(CN2CCc3ccccc3C2=O)cc1 ZINC000036222326 372568109 /nfs/dbraw/zinc/56/81/09/372568109.db2.gz RVUAZCLHMKTQGQ-UHFFFAOYSA-N -1 0 281.311 2.583 50 0 CFAARM O=[S@@]([O-])c1ccc(Br)cc1Cl ZINC000036533435 372580610 /nfs/dbraw/zinc/58/06/10/372580610.db2.gz DMYOFFDKXLHJEC-UHFFFAOYSA-N -1 0 255.520 2.683 50 0 CFAARM Cc1c2cccc(C)c2oc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237752472 189889132 /nfs/dbraw/zinc/88/91/32/189889132.db2.gz UWZLKFWPKSQCFI-LLVKDONJSA-N -1 0 287.315 2.596 50 0 CFAARM COCc1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000036965711 372617059 /nfs/dbraw/zinc/61/70/59/372617059.db2.gz GVTVVTXNXKZXPS-UHFFFAOYSA-N -1 0 285.299 2.784 50 0 CFAARM COCC[C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000037653662 372686213 /nfs/dbraw/zinc/68/62/13/372686213.db2.gz YVHMMTQUCMUJMW-JTQLQIEISA-N -1 0 287.153 2.729 50 0 CFAARM O=C([O-])C1CCN(c2noc3ccc(Cl)cc32)CC1 ZINC000238833291 189900874 /nfs/dbraw/zinc/90/08/74/189900874.db2.gz AMJWCNHBADVIAA-UHFFFAOYSA-N -1 0 280.711 2.782 50 0 CFAARM C[C@@H](CC(=O)[O-])c1ccccc1I ZINC000043190902 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293.344 2.763 50 0 CFAARM CCOc1cc(C=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000005050174 170061476 /nfs/dbraw/zinc/06/14/76/170061476.db2.gz BIRICQDUOCHARK-UHFFFAOYSA-N -1 0 290.271 2.768 50 0 CFAARM Cc1c(C=O)c(C(=O)[O-])c(C)n1Cc1ccccc1 ZINC000005137975 170069961 /nfs/dbraw/zinc/06/99/61/170069961.db2.gz KXMDXQSFUWRILU-UHFFFAOYSA-N -1 0 257.289 2.664 50 0 CFAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000005259908 170080863 /nfs/dbraw/zinc/08/08/63/170080863.db2.gz DBDUKXZPNKUGAA-UHFFFAOYSA-N -1 0 275.329 2.690 50 0 CFAARM CC(C)C[C@H](NC(=O)N[C@H](C)c1ccccc1)C(=O)[O-] ZINC000005354743 170088998 /nfs/dbraw/zinc/08/89/98/170088998.db2.gz YFMHOWZLJUEQIV-YPMHNXCESA-N -1 0 278.352 2.546 50 0 CFAARM O=c1[n-]c(-c2ccccc2)ncc1Br ZINC000005615125 170120096 /nfs/dbraw/zinc/12/00/96/170120096.db2.gz MWZGHIGOSHTXGY-UHFFFAOYSA-N -1 0 251.083 2.612 50 0 CFAARM O=C([O-])C[C@@H](c1ccc(F)cc1)N1Cc2ccccc2C1=O ZINC000005776497 170139541 /nfs/dbraw/zinc/13/95/41/170139541.db2.gz ALGXSMHFVYATIX-HNNXBMFYSA-N -1 0 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170548995 /nfs/dbraw/zinc/54/89/95/170548995.db2.gz KLTZIJUWUCLRMN-UHFFFAOYSA-N -1 0 285.299 2.711 50 0 CFAARM O=c1[n-]nc(COc2cccc(Cl)c2Cl)o1 ZINC000020358027 171157728 /nfs/dbraw/zinc/15/77/28/171157728.db2.gz XERYUUDABQAHJC-UHFFFAOYSA-N -1 0 261.064 2.661 50 0 CFAARM O=C(Nn1cnc2ccccc21)c1cc(Cl)ccc1[O-] ZINC000021866648 171334851 /nfs/dbraw/zinc/33/48/51/171334851.db2.gz YGXHHVNQEHXUGM-UHFFFAOYSA-N -1 0 287.706 2.779 50 0 CFAARM O=C([O-])C[C@@H](NC(=O)Cc1cccs1)c1ccccc1 ZINC000022176593 171371053 /nfs/dbraw/zinc/37/10/53/171371053.db2.gz OCKGCAUGLDPDDP-CYBMUJFWSA-N -1 0 289.356 2.623 50 0 CFAARM COc1ccccc1-c1cc(C(=O)[O-])c2c(C)noc2n1 ZINC000022218069 171376247 /nfs/dbraw/zinc/37/62/47/171376247.db2.gz VMYWIQZCJOOZPX-UHFFFAOYSA-N -1 0 284.271 2.905 50 0 CFAARM CSc1cccc(NC(=O)c2ccc(C(=O)[O-])nc2)c1 ZINC000035185825 172039888 /nfs/dbraw/zinc/03/98/88/172039888.db2.gz UOUIJGFJFMLPTF-UHFFFAOYSA-N -1 0 288.328 2.754 50 0 CFAARM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000035282718 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275.348 2.763 50 0 CFAARM Cc1cc(-c2cnn(C)c2)nc(-c2ccccc2[O-])n1 ZINC000032547897 372444065 /nfs/dbraw/zinc/44/40/65/372444065.db2.gz UCZBXFWKTWBAKM-UHFFFAOYSA-N -1 0 266.304 2.558 50 0 CFAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@@H]1CC=CCC1 ZINC000237657905 189886415 /nfs/dbraw/zinc/88/64/15/189886415.db2.gz XKPXPCYKRSMGJF-HIFRSBDPSA-N -1 0 287.359 2.983 50 0 CFAARM CCCC[C@@H](NC(=O)CC1CCCCC1)C(=O)[O-] ZINC000035095639 372536882 /nfs/dbraw/zinc/53/68/82/372536882.db2.gz XAAKWBCRQYSGLG-GFCCVEGCSA-N -1 0 255.358 2.716 50 0 CFAARM O=C(/C=C\c1ccco1)Nc1cccc(C(=O)[O-])c1 ZINC000033293366 372489114 /nfs/dbraw/zinc/48/91/14/372489114.db2.gz MSWYLYARVWREFY-SREVYHEPSA-N -1 0 257.245 2.630 50 0 CFAARM COc1cc(C([O-])=C2CCCCC2=O)cc(OC)c1OC ZINC000034412048 372507986 /nfs/dbraw/zinc/50/79/86/372507986.db2.gz ISWILNMNCRJUMX-NSHDSACASA-N -1 0 292.331 2.654 50 0 CFAARM O=C([O-])CSCc1cccc(OC(F)(F)F)c1 ZINC000036047698 372553812 /nfs/dbraw/zinc/55/38/12/372553812.db2.gz UKCGLSVQHFVXEV-UHFFFAOYSA-N -1 0 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CFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C[C@H]1C=CCC1 ZINC000019441678 170802915 /nfs/dbraw/zinc/80/29/15/170802915.db2.gz OBIGGNVKOFEBTQ-XUXIUFHCSA-N -1 0 277.364 2.587 50 0 CFAARM O=C([O-])c1cnn(-c2ccccc2F)c1-n1cccc1 ZINC000020281820 171132698 /nfs/dbraw/zinc/13/26/98/171132698.db2.gz GWJWVCUSKWCSTQ-UHFFFAOYSA-N -1 0 271.251 2.500 50 0 CFAARM Cc1onc(C(=O)[O-])c1COc1ccc(F)cc1F ZINC000020315272 171146447 /nfs/dbraw/zinc/14/64/47/171146447.db2.gz IVMJVAIGXCSTDY-UHFFFAOYSA-N -1 0 269.203 2.538 50 0 CFAARM Cc1noc(C)c1COc1cccc(/C=C/C(=O)[O-])c1 ZINC000020526767 171239947 /nfs/dbraw/zinc/23/99/47/171239947.db2.gz MBDDLNNABZOTND-VOTSOKGWSA-N -1 0 273.288 2.968 50 0 CFAARM O=C([O-])C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000021966010 171343661 /nfs/dbraw/zinc/34/36/61/171343661.db2.gz ZSYHFADKCBKQGJ-UHFFFAOYSA-N -1 0 291.391 2.526 50 0 CFAARM O=C([O-])c1cn(CC(=O)Nc2ccccc2)c2ccccc12 ZINC000021982924 171344775 /nfs/dbraw/zinc/34/47/75/171344775.db2.gz BDAHNFBJMFGSRX-UHFFFAOYSA-N -1 0 294.310 2.978 50 0 CFAARM C[C@@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1cccs1 ZINC000035135307 172002061 /nfs/dbraw/zinc/00/20/61/172002061.db2.gz MOJIEZJZRDCVJE-SNVBAGLBSA-N -1 0 281.377 2.960 50 0 CFAARM Cc1ccc(-c2nc(CN3CCC[C@H]3C(=O)[O-])co2)cc1 ZINC000035302986 172117468 /nfs/dbraw/zinc/11/74/68/172117468.db2.gz IQONUUCLDBIMDD-AWEZNQCLSA-N -1 0 286.331 2.699 50 0 CFAARM CN(Cc1cccc(F)c1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000035347699 172140727 /nfs/dbraw/zinc/14/07/27/172140727.db2.gz JAXJEYSLLCVXCI-UHFFFAOYSA-N -1 0 287.290 2.796 50 0 CFAARM Cc1ccc(/C=C/C(=O)N2CCCC[C@H]2C(=O)[O-])s1 ZINC000036966408 172834984 /nfs/dbraw/zinc/83/49/84/172834984.db2.gz UVKFMAXHFAQACU-GUOLPTJISA-N -1 0 279.361 2.535 50 0 CFAARM CCOc1cc(Br)ccc1/C=C/C(=O)[O-] ZINC000036985390 172850895 /nfs/dbraw/zinc/85/08/95/172850895.db2.gz ZZCUVOHRNAJVOM-GQCTYLIASA-N -1 0 271.110 2.946 50 0 CFAARM CCc1c(C(=O)[O-])cnn1-c1ccccc1Cl ZINC000037295162 173099494 /nfs/dbraw/zinc/09/94/94/173099494.db2.gz XFKDYQSOMMGWGM-UHFFFAOYSA-N -1 0 250.685 2.786 50 0 CFAARM CC(C)c1nc(/C=C/c2cnn3c2CCC3)ncc1C(=O)[O-] ZINC000656612635 414617671 /nfs/dbraw/zinc/61/76/71/414617671.db2.gz HVVDGBRWAPYGKP-AATRIKPKSA-N -1 0 298.346 2.611 50 0 CFAARM O=C([O-])c1ccc(-c2cccc(Br)c2)[nH]c1=O ZINC000038478114 174142191 /nfs/dbraw/zinc/14/21/91/174142191.db2.gz SGAVPQIVNNYVCT-UHFFFAOYSA-N -1 0 294.104 2.503 50 0 CFAARM O=C([O-])c1cn(C2CC2)c2cc(Cl)ccc2c1=O ZINC000039631243 174171118 /nfs/dbraw/zinc/17/11/18/174171118.db2.gz PISYZMAJMMQIRQ-UHFFFAOYSA-N -1 0 263.680 2.688 50 0 CFAARM COc1cc(-c2cc(C(=O)[O-])n[nH]2)ccc1OC(C)C ZINC000040162879 174196790 /nfs/dbraw/zinc/19/67/90/174196790.db2.gz GYOGAKQRQOCCQJ-UHFFFAOYSA-N -1 0 276.292 2.571 50 0 CFAARM Cc1ccc(C)c(C(=O)NC[C@@H](C(=O)[O-])C2CCC2)c1 ZINC000663149232 414655133 /nfs/dbraw/zinc/65/51/33/414655133.db2.gz WTVOTOBTSVFPIK-CQSZACIVSA-N -1 0 275.348 2.534 50 0 CFAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1CCCCCC1 ZINC000045673155 175382363 /nfs/dbraw/zinc/38/23/63/175382363.db2.gz 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O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1CC=CCC1 ZINC000050921478 304062324 /nfs/dbraw/zinc/06/23/24/304062324.db2.gz YOYCIPMEINWSJP-QWHCGFSZSA-N -1 0 265.353 2.589 50 0 CFAARM O=C([O-])CN1c2ccccc2C[C@@H]1c1ccccc1 ZINC000216645483 304068175 /nfs/dbraw/zinc/06/81/75/304068175.db2.gz LKPCPHAZGRVFQH-OAHLLOKOSA-N -1 0 253.301 2.875 50 0 CFAARM CC(C)(C)OC(=O)N1CC[C@@H]2CCCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000675050397 540629335 /nfs/dbraw/zinc/62/93/35/540629335.db2.gz SRZIWRUJWLMSFT-SDDRHHMPSA-N -1 0 283.368 2.887 50 0 CFAARM O=C([O-])c1c(-c2cncs2)noc1C(F)(F)F ZINC000675057540 540643889 /nfs/dbraw/zinc/64/38/89/540643889.db2.gz IJYHWTVFQZYUPX-UHFFFAOYSA-N -1 0 264.184 2.515 50 0 CFAARM O=C([O-])[C@@H](c1ccccc1)[C@@H]1Sc2ccccc2NC1=O ZINC000000101579 304097158 /nfs/dbraw/zinc/09/71/58/304097158.db2.gz MLFZVXAQHLMAKF-KBPBESRZSA-N -1 0 299.351 2.968 50 0 CFAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1Cl ZINC000003863546 304099813 /nfs/dbraw/zinc/09/98/13/304099813.db2.gz VFJSZKPJLPFCFG-VHSXEESVSA-N -1 0 279.723 2.946 50 0 CFAARM C[C@@H](C(=O)Nc1cccc(CCC(=O)[O-])c1)C(F)(F)F ZINC000262456741 540990246 /nfs/dbraw/zinc/99/02/46/540990246.db2.gz FGPODZHDEQAYGM-QMMMGPOBSA-N -1 0 289.253 2.841 50 0 CFAARM Cc1noc(C)c1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC000263289919 541003215 /nfs/dbraw/zinc/00/32/15/541003215.db2.gz LYRRSZJFCWTWJS-MRVPVSSYSA-N -1 0 288.303 2.732 50 0 CFAARM O=C([O-])CCCCN1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000181545796 189300295 /nfs/dbraw/zinc/30/02/95/189300295.db2.gz CBHQCKLLJAJLBE-CQSZACIVSA-N -1 0 297.782 2.968 50 0 CFAARM O=C([O-])[C@@H]1CCCCN1c1nc2ccccc2s1 ZINC000022221681 304106880 /nfs/dbraw/zinc/10/68/80/304106880.db2.gz WVQBCPKMRCVDJD-JTQLQIEISA-N -1 0 262.334 2.740 50 0 CFAARM Cc1cc(NC(=O)c2cc(C3CC3)[nH]n2)ccc1C(=O)[O-] ZINC000225461156 189752830 /nfs/dbraw/zinc/75/28/30/189752830.db2.gz CACVTUFUJJIJQE-UHFFFAOYSA-N -1 0 285.303 2.546 50 0 CFAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC(F)(F)F ZINC000225389660 304140808 /nfs/dbraw/zinc/14/08/08/304140808.db2.gz 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371661966 /nfs/dbraw/zinc/66/19/66/371661966.db2.gz GMBHXFKGJRDYAD-UHFFFAOYSA-N -1 0 279.299 2.820 50 0 CFAARM COc1ccc(Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000002584206 371740913 /nfs/dbraw/zinc/74/09/13/371740913.db2.gz VCDNRCBZNCHSTF-UHFFFAOYSA-N -1 0 264.306 2.522 50 0 CFAARM COc1cc(C(=O)[O-])cc(OCc2ccccc2)c1OC ZINC000001843141 371707913 /nfs/dbraw/zinc/70/79/13/371707913.db2.gz NUSWQOWJNXOCIA-UHFFFAOYSA-N -1 0 288.299 2.981 50 0 CFAARM O=C([O-])[C@@H](NC(=S)c1ccccc1)c1ccccc1 ZINC000002023227 371713599 /nfs/dbraw/zinc/71/35/99/371713599.db2.gz ZIAZSBHCEDOPET-ZDUSSCGKSA-N -1 0 271.341 2.778 50 0 CFAARM CC(C)Oc1ccc(C(=O)CCCC(=O)[O-])cc1 ZINC000002579982 371739290 /nfs/dbraw/zinc/73/92/90/371739290.db2.gz SQGMMNSIZRTKOW-UHFFFAOYSA-N -1 0 250.294 2.911 50 0 CFAARM Cc1ccc(C[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)cc1 ZINC000002385827 371723502 /nfs/dbraw/zinc/72/35/02/371723502.db2.gz KAHQBNUMNOJEPZ-CYBMUJFWSA-N -1 0 293.363 2.906 50 0 CFAARM CCCC[C@H](Sc1nc(C)cc(C)n1)C(=O)[O-] ZINC000002360240 371724504 /nfs/dbraw/zinc/72/45/04/371724504.db2.gz OCUCMKVHMGZUEP-JTQLQIEISA-N -1 0 254.355 2.829 50 0 CFAARM CC(C)(C)OC(=O)N[C@H](CCCc1ccccc1)C(=O)[O-] ZINC000002529150 371733725 /nfs/dbraw/zinc/73/37/25/371733725.db2.gz AIFKBFKJMQTYAM-CYBMUJFWSA-N -1 0 293.363 2.987 50 0 CFAARM O=C([O-])Cc1ccccc1C(=O)Nc1ccc(F)cc1F ZINC000002555596 371736828 /nfs/dbraw/zinc/73/68/28/371736828.db2.gz LJLOFJJFWQBSKL-UHFFFAOYSA-N -1 0 291.253 2.844 50 0 CFAARM O=S(=O)([O-])c1cc(Cl)c(Cl)cc1Cl ZINC000001672423 371694795 /nfs/dbraw/zinc/69/47/95/371694795.db2.gz LEDKKDPOPIKMSZ-UHFFFAOYSA-N -1 0 261.513 2.894 50 0 CFAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000002567667 371738105 /nfs/dbraw/zinc/73/81/05/371738105.db2.gz TUUQJNHCVFJMPU-NSHDSACASA-N -1 0 299.754 2.860 50 0 CFAARM CC(C)(C)OC(=O)NCCCCCCCC(=O)[O-] ZINC000002562491 371738341 /nfs/dbraw/zinc/73/83/41/371738341.db2.gz FPRZYWCRQHFPSX-UHFFFAOYSA-N -1 0 259.346 2.936 50 0 CFAARM COc1ccc(C)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002737035 371749568 /nfs/dbraw/zinc/74/95/68/371749568.db2.gz LOSQAFFZJXBKHL-RYUDHWBXSA-N -1 0 289.331 2.609 50 0 CFAARM O=C(/C=C/c1ccco1)Nc1ccccc1C(=O)[O-] ZINC000002949744 371764962 /nfs/dbraw/zinc/76/49/62/371764962.db2.gz ZQZWZICEYIOQMW-BQYQJAHWSA-N -1 0 257.245 2.630 50 0 CFAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000003128421 371774115 /nfs/dbraw/zinc/77/41/15/371774115.db2.gz DBNAQJHXPMLPBW-UHFFFAOYSA-N -1 0 293.319 2.829 50 0 CFAARM CCCCOc1ccc(NC(=O)CCC(=O)[O-])cc1 ZINC000003115896 371774508 /nfs/dbraw/zinc/77/45/08/371774508.db2.gz JZYQVHOZJIBIOW-UHFFFAOYSA-N -1 0 265.309 2.669 50 0 CFAARM CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000003246013 371783290 /nfs/dbraw/zinc/78/32/90/371783290.db2.gz LASGEJISYLOCTM-KWQFWETISA-N -1 0 269.728 2.569 50 0 CFAARM Cc1cc(N[C@H]2SC(=O)[N-]C2=O)ccc1C(C)C ZINC000004054432 371830756 /nfs/dbraw/zinc/83/07/56/371830756.db2.gz TYLFKADMZCXUBX-LBPRGKRZSA-N -1 0 264.350 2.839 50 0 CFAARM Cc1nn(Cc2ccc(C)cc2)c(Cl)c1C(=O)[O-] ZINC000003440412 371800463 /nfs/dbraw/zinc/80/04/63/371800463.db2.gz UBKFCRWXEHRGQY-UHFFFAOYSA-N -1 0 264.712 2.900 50 0 CFAARM Cc1sc(NC(=O)c2ccco2)c(C(=O)[O-])c1C ZINC000003773535 371818761 /nfs/dbraw/zinc/81/87/61/371818761.db2.gz WSOKASHHJIMBSX-UHFFFAOYSA-N -1 0 265.290 2.908 50 0 CFAARM COc1ccc(-c2cc(=O)c3c(O)cc([O-])cc3o2)cc1 ZINC000003871358 371820295 /nfs/dbraw/zinc/82/02/95/371820295.db2.gz DANYIYRPLHHOCZ-UHFFFAOYSA-N -1 0 284.267 2.880 50 0 biogenic,in-vivo CFAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000003910410 371825888 /nfs/dbraw/zinc/82/58/88/371825888.db2.gz JFVLZAPPBGHGBP-BDAKNGLRSA-N -1 0 278.160 2.782 50 0 CFAARM O=C([O-])C(F)(F)[C@](F)(Br)C(F)(F)Cl ZINC000004241435 371843674 /nfs/dbraw/zinc/84/36/74/371843674.db2.gz IFQBWLXWJWDSTE-GSVOUGTGSA-N -1 0 291.397 2.599 50 0 CFAARM COCCn1c(C)c(C(=O)[O-])cc1-c1ccccc1 ZINC000004671543 371871221 /nfs/dbraw/zinc/87/12/21/371871221.db2.gz XFCNEQNRRMLHDW-UHFFFAOYSA-N -1 0 259.305 2.808 50 0 CFAARM CC1(C)[C@@H](C(=O)Nc2nccs2)CC[C@@]1(C)C(=O)[O-] ZINC000004661077 371872166 /nfs/dbraw/zinc/87/21/66/371872166.db2.gz BBXZKNURCHZUAR-OQPBUACISA-N -1 0 282.365 2.609 50 0 CFAARM CC(C)(C)OC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000004899627 371876543 /nfs/dbraw/zinc/87/65/43/371876543.db2.gz POJYGQHOQQDGQZ-DCAQKATOSA-N -1 0 269.341 2.639 50 0 CFAARM COc1ccc(C)cc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004197473 371840667 /nfs/dbraw/zinc/84/06/67/371840667.db2.gz QMAXCKLCCMYNSM-NEPJUHHUSA-N -1 0 291.347 2.833 50 0 CFAARM CCOc1cc2c(c3[nH]c(C(=O)[O-])cc31)O[C@H](C)C2 ZINC000004218755 371841941 /nfs/dbraw/zinc/84/19/41/371841941.db2.gz HMLGGFSSMVUDLA-SSDOTTSWSA-N -1 0 261.277 2.588 50 0 CFAARM O=C([O-])[C@H]1CCN(c2ccc(Oc3ccccc3)cc2)C1=O ZINC000011891041 371935036 /nfs/dbraw/zinc/93/50/36/371935036.db2.gz UEQMCSVUDSUKTL-HNNXBMFYSA-N -1 0 297.310 2.916 50 0 CFAARM CCC(CC)(CC(=O)Nc1cccc(OC)c1)C(=O)[O-] ZINC000011163018 371918076 /nfs/dbraw/zinc/91/80/76/371918076.db2.gz 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Cc1c(C=O)c(C(=O)[O-])c(C)n1Cc1ccc(C)cc1 ZINC000005138190 170070157 /nfs/dbraw/zinc/07/01/57/170070157.db2.gz DFNAJJGMNXFGQV-UHFFFAOYSA-N -1 0 271.316 2.972 50 0 CFAARM O=c1[n-]c(Nc2ccccc2)nnc1Cc1ccc(F)cc1 ZINC000005154309 170071271 /nfs/dbraw/zinc/07/12/71/170071271.db2.gz CCAYQTRNUCAIEW-UHFFFAOYSA-N -1 0 296.305 2.638 50 0 CFAARM CC[C@H](C)[C@H](NC(=O)Nc1ccc(C(C)=O)cc1)C(=O)[O-] ZINC000005388319 170093329 /nfs/dbraw/zinc/09/33/29/170093329.db2.gz JJTOFVODUVMOLN-ZANVPECISA-N -1 0 292.335 2.510 50 0 CFAARM O=C([O-])c1ccc(-c2oc3ccccc3c(=O)c2O)cc1 ZINC000005548956 170111933 /nfs/dbraw/zinc/11/19/33/170111933.db2.gz ATXHVCLKKGQFDP-UHFFFAOYSA-N -1 0 282.251 2.864 50 0 CFAARM CCc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)cc1 ZINC000005582450 170115826 /nfs/dbraw/zinc/11/58/26/170115826.db2.gz IRQYSSSUIAKPPT-UHFFFAOYSA-N -1 0 276.361 2.753 50 0 CFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCc1ccc(Cl)cc1 ZINC000005673795 170126730 /nfs/dbraw/zinc/12/67/30/170126730.db2.gz AQIOFCSOLJBVRW-OLZOCXBDSA-N -1 0 295.766 2.847 50 0 CFAARM COC(Cc1n[n-]c(=S)n1-c1ccc(Cl)cc1)OC ZINC000005701490 170131018 /nfs/dbraw/zinc/13/10/18/170131018.db2.gz JNPDQYILRQCBBZ-UHFFFAOYSA-N -1 0 299.783 2.745 50 0 CFAARM CCN(CC)c1nc(NC(C)(C)C)nc(=S)[n-]1 ZINC000005904774 170152906 /nfs/dbraw/zinc/15/29/06/170152906.db2.gz KRFDMAVFWPYSDG-UHFFFAOYSA-N -1 0 255.391 2.591 50 0 CFAARM COc1ccc(-c2coc3cc([O-])ccc3c2=O)cc1O ZINC000006018563 170168652 /nfs/dbraw/zinc/16/86/52/170168652.db2.gz ZZAJQOPSWWVMBI-UHFFFAOYSA-N -1 0 284.267 2.880 50 0 biogenic,in-vitro CFAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000006208272 170182792 /nfs/dbraw/zinc/18/27/92/170182792.db2.gz FFUIOWHMPMXTLL-UHFFFAOYSA-N -1 0 296.779 2.575 50 0 CFAARM O=C([O-])c1cc(O)ccc1NC(=O)/C=C/c1ccccc1 ZINC000006222572 170183703 /nfs/dbraw/zinc/18/37/03/170183703.db2.gz IZJSRKHJGZCTKU-RMKNXTFCSA-N -1 0 283.283 2.742 50 0 CFAARM O=C(c1ccccc1)c1cc2ccc([O-])cc2oc1=O ZINC000006557585 170213346 /nfs/dbraw/zinc/21/33/46/170213346.db2.gz UWQPLMCCTUJLSP-UHFFFAOYSA-N -1 0 266.252 2.730 50 0 CFAARM CC1(C)S[C@@H](c2c[nH]c3ccccc32)N[C@@H]1C(=O)[O-] ZINC000006591290 170217296 /nfs/dbraw/zinc/21/72/96/170217296.db2.gz RMWNKAGJAGUZQL-NEPJUHHUSA-N -1 0 276.361 2.735 50 0 CFAARM O=C([O-])C[C@H](NC(=O)C1CCCCC1)c1ccccc1 ZINC000006645102 170221741 /nfs/dbraw/zinc/22/17/41/170221741.db2.gz UIHUXKARHPECCF-AWEZNQCLSA-N -1 0 275.348 2.899 50 0 CFAARM COCCn1c(C(=O)[O-])cc2cc(Cl)ccc21 ZINC000006681936 170225963 /nfs/dbraw/zinc/22/59/63/170225963.db2.gz NNKVVQATCLRGON-UHFFFAOYSA-N -1 0 253.685 2.639 50 0 CFAARM Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1F ZINC000006741079 170237376 /nfs/dbraw/zinc/23/73/76/170237376.db2.gz RQNYFZKTJJSKLP-UHFFFAOYSA-N -1 0 271.338 2.996 50 0 CFAARM O=C(Cc1ccccc1)Nc1c(=O)oc2ccccc2c1[O-] ZINC000006822813 170246656 /nfs/dbraw/zinc/24/66/56/170246656.db2.gz DZMROODKVNTMNU-UHFFFAOYSA-N -1 0 295.294 2.680 50 0 CFAARM O=C(OCc1nc2ccccc2o1)c1ccc(O)cc1O ZINC000008264912 170327353 /nfs/dbraw/zinc/32/73/53/170327353.db2.gz MHHFPUULTLIIBO-UHFFFAOYSA-N -1 0 285.255 2.596 50 0 CFAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccc(F)cc1F ZINC000008699152 170346297 /nfs/dbraw/zinc/34/62/97/170346297.db2.gz CVINMJDGSGBHTL-SNVBAGLBSA-N -1 0 287.262 2.615 50 0 CFAARM O=C([O-])Cn1c2ccccc2nc1Nc1ccccc1 ZINC000008715636 170348924 /nfs/dbraw/zinc/34/89/24/170348924.db2.gz PBIJUNIMRWMRPW-UHFFFAOYSA-N -1 0 267.288 2.865 50 0 CFAARM COc1cccc(-c2cc(=O)n(-c3ccccc3OC)[n-]2)c1 ZINC000009939837 170391734 /nfs/dbraw/zinc/39/17/34/170391734.db2.gz RBBTVPUCWWZSQH-UHFFFAOYSA-N -1 0 296.326 2.850 50 0 CFAARM Cc1noc(C)c1COc1c(C)cccc1C(=O)[O-] ZINC000012404948 170485362 /nfs/dbraw/zinc/48/53/62/170485362.db2.gz QODSHLNHPZQDFC-UHFFFAOYSA-N -1 0 261.277 2.877 50 0 CFAARM O=C([O-])c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000013448554 170551018 /nfs/dbraw/zinc/55/10/18/170551018.db2.gz JOQNYAQTZYHWJJ-UHFFFAOYSA-N -1 0 267.284 2.588 50 0 CFAARM CC[C@H](C)[C@H](NC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000013778840 170593300 /nfs/dbraw/zinc/59/33/00/170593300.db2.gz QMHHHSZFGIQJDE-KWQFWETISA-N -1 0 284.743 2.961 50 0 CFAARM Cc1nc(Nc2ccc(Cl)cc2)ncc1C(=O)[O-] ZINC000015423884 170665836 /nfs/dbraw/zinc/66/58/36/170665836.db2.gz PBDWGKAZEXWSIO-UHFFFAOYSA-N -1 0 263.684 2.880 50 0 CFAARM Cc1occc1C(=O)Nc1c(C)cccc1C(=O)[O-] ZINC000021960748 171342861 /nfs/dbraw/zinc/34/28/61/171342861.db2.gz DGNIOTMWXFAYIO-UHFFFAOYSA-N -1 0 259.261 2.847 50 0 CFAARM COc1cccc(C(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000022062161 171351784 /nfs/dbraw/zinc/35/17/84/171351784.db2.gz XMCMXNDLBJCBMQ-UHFFFAOYSA-N -1 0 256.257 2.624 50 0 in-vitro CFAARM CCc1c(C)c2ccc(O[C@H](C)C(=O)[O-])cc2oc1=O ZINC000030819584 171623712 /nfs/dbraw/zinc/62/37/12/171623712.db2.gz WHMJCHNRKSAMKE-SECBINFHSA-N -1 0 276.288 2.516 50 0 CFAARM COc1ccc(F)cc1-c1nc(C)ccc1C(=O)[O-] ZINC000032503413 171730600 /nfs/dbraw/zinc/73/06/00/171730600.db2.gz LCQSALVDPGMPSX-UHFFFAOYSA-N -1 0 261.252 2.903 50 0 CFAARM CC(C)(C)OC(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000034122541 171831715 /nfs/dbraw/zinc/83/17/15/171831715.db2.gz WOGUASPHMADVMU-AWEZNQCLSA-N -1 0 265.309 2.511 50 0 in-vitro CFAARM O=S(=O)([N-]c1ccccc1)c1cccnc1Cl ZINC000035186201 172040616 /nfs/dbraw/zinc/04/06/16/172040616.db2.gz QHTDSLDFXCLOBZ-UHFFFAOYSA-N -1 0 268.725 2.536 50 0 CFAARM Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C(=O)[O-] ZINC000035208063 172054174 /nfs/dbraw/zinc/05/41/74/172054174.db2.gz FCIMHJZZFLTNTL-UHFFFAOYSA-N -1 0 264.712 2.900 50 0 CFAARM CN(C(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000035347408 172140459 /nfs/dbraw/zinc/14/04/59/172140459.db2.gz KKMHMKLGAUXUIC-UHFFFAOYSA-N -1 0 255.273 2.661 50 0 CFAARM CN(C(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000035347409 172140556 /nfs/dbraw/zinc/14/05/56/172140556.db2.gz WATFUQPNPJTGTB-UHFFFAOYSA-N -1 0 255.273 2.661 50 0 CFAARM Cc1cc(F)c(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])cc1F ZINC000652099338 413820362 /nfs/dbraw/zinc/82/03/62/413820362.db2.gz XEXNATHVQUQOTD-SNVBAGLBSA-N -1 0 297.301 2.504 50 0 CFAARM O=C([O-])C1CCC(NC(=O)c2ccc(F)cc2Cl)CC1 ZINC000037561234 173271046 /nfs/dbraw/zinc/27/10/46/173271046.db2.gz XVIHLKZBNLVAIH-UHFFFAOYSA-N -1 0 299.729 2.852 50 0 CFAARM Cc1ccc(NC(=O)c2c(C3CC3)cnn2C)cc1C(=O)[O-] ZINC000659136176 414448352 /nfs/dbraw/zinc/44/83/52/414448352.db2.gz DYELDHPHRSKOSJ-UHFFFAOYSA-N -1 0 299.330 2.556 50 0 CFAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H](CCF)C2)cc1 ZINC000659199190 414465859 /nfs/dbraw/zinc/46/58/59/414465859.db2.gz OTBZNRZFAMNLQK-NSHDSACASA-N -1 0 279.311 2.597 50 0 CFAARM CCC[C@@H](C)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000037918718 173855535 /nfs/dbraw/zinc/85/55/35/173855535.db2.gz ITGFPYDZBXADQY-LLVKDONJSA-N -1 0 263.337 2.779 50 0 CFAARM CC(C)(C)OC(=O)N(CC(=O)[O-])C1CCCCC1 ZINC000039021982 174161251 /nfs/dbraw/zinc/16/12/51/174161251.db2.gz IDWHSUSIOBKSKI-UHFFFAOYSA-N -1 0 257.330 2.641 50 0 CFAARM CCO[N-]C(=O)CSCc1cccc(Cl)c1 ZINC000040017407 174183042 /nfs/dbraw/zinc/18/30/42/174183042.db2.gz QWSHZGFCZLZIFI-UHFFFAOYSA-N -1 0 259.758 2.641 50 0 CFAARM CCc1ccnc(C(=O)NC2(CC(=O)[O-])CCCCC2)c1 ZINC000663119527 414653240 /nfs/dbraw/zinc/65/32/40/414653240.db2.gz LFFVJYOMCYODEV-UHFFFAOYSA-N -1 0 290.363 2.551 50 0 CFAARM O=C([O-])c1cccc(Nc2nccc(C(F)(F)F)n2)c1 ZINC000040447875 174265149 /nfs/dbraw/zinc/26/51/49/174265149.db2.gz BBTHODYMXCEZNZ-UHFFFAOYSA-N -1 0 283.209 2.937 50 0 CFAARM O=C([O-])c1ccc(CCNC(=O)OCc2ccccc2)cc1 ZINC000040448779 174265487 /nfs/dbraw/zinc/26/54/87/174265487.db2.gz BMIPQGLSIWHHQW-UHFFFAOYSA-N -1 0 299.326 2.854 50 0 CFAARM CC(C)c1cc(NCc2ccc(C(=O)[O-])cc2)ncn1 ZINC000040765899 174397827 /nfs/dbraw/zinc/39/78/27/174397827.db2.gz ZCXAGXAEMVCSDY-UHFFFAOYSA-N -1 0 271.320 2.910 50 0 CFAARM CCc1cc2c(nc(CC)nc2N[C@@H](C)C(=O)[O-])s1 ZINC000041090308 174477035 /nfs/dbraw/zinc/47/70/35/174477035.db2.gz UDLGBHRTJBOYMF-ZETCQYMHSA-N -1 0 279.365 2.701 50 0 CFAARM CCc1nc2sc3c(c2c(SCC(=O)[O-])n1)CCC3 ZINC000041090328 174477219 /nfs/dbraw/zinc/47/72/19/174477219.db2.gz LOBRNAVAYZJFOG-UHFFFAOYSA-N -1 0 294.401 2.919 50 0 CFAARM COc1ccc(C(=O)CCCCCCC(=O)[O-])cn1 ZINC000043210593 174984248 /nfs/dbraw/zinc/98/42/48/174984248.db2.gz UNEXCRAJKGOZCN-UHFFFAOYSA-N -1 0 265.309 2.698 50 0 CFAARM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1F ZINC000043583485 175070350 /nfs/dbraw/zinc/07/03/50/175070350.db2.gz WYQIQXAOUPNJKE-LBPRGKRZSA-N -1 0 293.338 2.851 50 0 CFAARM CCCCC[C@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000044197605 175153659 /nfs/dbraw/zinc/15/36/59/175153659.db2.gz LCMKZSKQXGASTD-SNVBAGLBSA-N -1 0 259.346 2.935 50 0 CFAARM Cc1oc(-c2cccc(Cl)c2)nc1CC(=O)[O-] ZINC000049632724 175497242 /nfs/dbraw/zinc/49/72/42/175497242.db2.gz GDDONBMHCPHZJH-UHFFFAOYSA-N -1 0 251.669 2.931 50 0 CFAARM Cc1ccc(NC(=O)C2(C(=O)[O-])CC2)cc1C(F)(F)F ZINC000050292774 175514642 /nfs/dbraw/zinc/51/46/42/175514642.db2.gz GGWTUNNLJUGLIX-UHFFFAOYSA-N -1 0 287.237 2.817 50 0 CFAARM O=C([O-])C[C@@H](CC(=O)NC1CCCC1)c1ccccc1 ZINC000057571731 175599317 /nfs/dbraw/zinc/59/93/17/175599317.db2.gz MCSVZTQJMSDBIZ-CYBMUJFWSA-N -1 0 275.348 2.694 50 0 CFAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc3ccccc3s2)C1 ZINC000062913805 175677679 /nfs/dbraw/zinc/67/76/79/175677679.db2.gz UTVSYFKOZNLJCF-HNNXBMFYSA-N -1 0 289.356 2.838 50 0 CFAARM CN(C)c1ccc(NC(=O)c2ccccc2)c(C(=O)[O-])c1 ZINC000064589017 175696590 /nfs/dbraw/zinc/69/65/90/175696590.db2.gz FODXWMPOCKEXHL-UHFFFAOYSA-N -1 0 284.315 2.703 50 0 CFAARM O=C([O-])CCCCNC(=O)c1c(Cl)cccc1Cl ZINC000070199838 175882173 /nfs/dbraw/zinc/88/21/73/175882173.db2.gz GUVIRBPVPXAHKP-UHFFFAOYSA-N -1 0 290.146 2.978 50 0 CFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cnc2ccccc2c1 ZINC000071282975 176109451 /nfs/dbraw/zinc/10/94/51/176109451.db2.gz SZIDPWDURJYXTN-STQMWFEESA-N -1 0 284.315 2.530 50 0 CFAARM Cc1cccnc1CNC(=O)c1ccc([O-])c(Cl)c1 ZINC000071345325 176131388 /nfs/dbraw/zinc/13/13/88/176131388.db2.gz AUAHCTWFZWADRF-UHFFFAOYSA-N -1 0 276.723 2.679 50 0 CFAARM Cc1nn(-c2cccc(F)c2)c(C(F)F)c1C(=O)[O-] ZINC000072295227 176363575 /nfs/dbraw/zinc/36/35/75/176363575.db2.gz NSFPOIWIYLYJLJ-UHFFFAOYSA-N -1 0 270.210 2.956 50 0 CFAARM Cc1nc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)cs1 ZINC000000380505 260000205 /nfs/dbraw/zinc/00/02/05/260000205.db2.gz JDWNOTPJIJMTCK-UHFFFAOYSA-N -1 0 290.344 2.922 50 0 CFAARM CC[C@H](C)c1ccccc1N1C[C@H](C(=O)[O-])CC1=O ZINC000003326669 287788060 /nfs/dbraw/zinc/78/80/60/287788060.db2.gz AORNSVSZZRQDEM-WDEREUQCSA-N -1 0 261.321 2.638 50 0 CFAARM C[C@@H]1CCc2sc3[n-]c(=S)[nH]c(=O)c3c2C1 ZINC000020100258 287834782 /nfs/dbraw/zinc/83/47/82/287834782.db2.gz QZQYRKVEYFINOS-RXMQYKEDSA-N -1 0 252.364 2.772 50 0 CFAARM CC(=O)Nc1ccc(N2CCCCCC2)c(C(=O)[O-])c1 ZINC000058064936 278199130 /nfs/dbraw/zinc/19/91/30/278199130.db2.gz NOAMODLIADKOJK-UHFFFAOYSA-N -1 0 276.336 2.724 50 0 CFAARM CC(C)(C)OC(=O)NCC12CCC(C(=O)[O-])(CC1)CC2 ZINC000150104292 278427687 /nfs/dbraw/zinc/42/76/87/278427687.db2.gz ZTXFFJDDDPLMAH-UHFFFAOYSA-N -1 0 283.368 2.936 50 0 CFAARM CC(C)C[C@H](NC(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC000009576510 279185865 /nfs/dbraw/zinc/18/58/65/279185865.db2.gz SOMOSPUNLWZKQQ-ZDUSSCGKSA-N -1 0 290.363 2.648 50 0 CFAARM Cc1c(C)c2cc(-c3cc[nH]n3)c([O-])c(C)c2oc1=O ZINC000013725349 280223209 /nfs/dbraw/zinc/22/32/09/280223209.db2.gz CHCALZFWHBFODQ-UHFFFAOYSA-N -1 0 270.288 2.814 50 0 CFAARM CCn1c(C)nc2cc(C(=O)[O-])cc(Br)c21 ZINC000095496102 288678119 /nfs/dbraw/zinc/67/81/19/288678119.db2.gz UHGRPKMWBVAURU-UHFFFAOYSA-N -1 0 283.125 2.825 50 0 CFAARM COc1ccc(-c2c(C)[n-]n3c2nc(C)c(C)c3=O)cc1 ZINC000018222284 295045700 /nfs/dbraw/zinc/04/57/00/295045700.db2.gz OEQDUFBVXGEVCZ-UHFFFAOYSA-N -1 0 283.331 2.623 50 0 CFAARM COc1ccc(Br)c2[nH]c(C(=O)[O-])cc21 ZINC000003748668 295076472 /nfs/dbraw/zinc/07/64/72/295076472.db2.gz LTXFQVZKWCXSFQ-UHFFFAOYSA-N -1 0 270.082 2.637 50 0 CFAARM O=c1cc(C(F)(F)F)[n-]n1-c1ccc(Cl)cc1 ZINC000009937319 304620506 /nfs/dbraw/zinc/62/05/06/304620506.db2.gz VYCNIYYTYDWCCK-UHFFFAOYSA-N -1 0 262.618 2.995 50 0 CFAARM C[C@H](NC(=O)CCC(=O)[O-])C12CC3CC(CC(C3)C1)C2 ZINC000004680938 299043772 /nfs/dbraw/zinc/04/37/72/299043772.db2.gz DLZOOFHORMBPBJ-HXTFMFRQSA-N -1 0 279.380 2.572 50 0 CFAARM C[C@H]1c2ccccc2CCN1C(=O)c1ccc(C(=O)[O-])nc1 ZINC000170957248 300712022 /nfs/dbraw/zinc/71/20/22/300712022.db2.gz SVTMOYSVYPRSRR-NSHDSACASA-N -1 0 296.326 2.539 50 0 CFAARM Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)[O-] ZINC000002731884 300956730 /nfs/dbraw/zinc/95/67/30/300956730.db2.gz DNXCHZFSKZIXAH-BYPYZUCNSA-N -1 0 256.611 2.509 50 0 CFAARM Cc1c2cc(Br)ccc2[nH]c1C(=O)[O-] ZINC000000521431 301015780 /nfs/dbraw/zinc/01/57/80/301015780.db2.gz YUMRTSLYUVLHQK-UHFFFAOYSA-N -1 0 254.083 2.937 50 0 CFAARM Cc1cc(=O)n2[n-]cc(-c3ccc(Cl)cc3)c2n1 ZINC000005730278 301068016 /nfs/dbraw/zinc/06/80/16/301068016.db2.gz UHQBVUZOQNRBFY-UHFFFAOYSA-N -1 0 259.696 2.651 50 0 CFAARM Cc1cc(C(=O)[O-])n2nc(-c3ccc(F)cc3)cc2n1 ZINC000004294496 301157488 /nfs/dbraw/zinc/15/74/88/301157488.db2.gz LOOOVBNTGDXUMJ-UHFFFAOYSA-N -1 0 271.251 2.542 50 0 CFAARM Cc1ccc(OC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000389192 301654725 /nfs/dbraw/zinc/65/47/25/301654725.db2.gz QUGQKCICBDXIDT-QWHCGFSZSA-N -1 0 262.305 2.791 50 0 CFAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000097050016 302224123 /nfs/dbraw/zinc/22/41/23/302224123.db2.gz BZRJUZUVZHHCAX-RBSFLKMASA-N -1 0 287.359 2.564 50 0 CFAARM Cc1nn(-c2ccccc2)c2nc(C)cc(C(=O)[O-])c12 ZINC000004294541 302726553 /nfs/dbraw/zinc/72/65/53/302726553.db2.gz GGNIHFFEYHWPQO-UHFFFAOYSA-N -1 0 267.288 2.736 50 0 CFAARM Cc1[n-]n2c(nc(C)cc2=O)c1-c1ccc(F)cc1 ZINC000100163315 302808069 /nfs/dbraw/zinc/80/80/69/302808069.db2.gz MFDOTCVASWBNDR-UHFFFAOYSA-N -1 0 257.268 2.858 50 0 CFAARM Nc1nc(-c2cccc(Br)c2)c(C(=O)[O-])s1 ZINC000062467093 303502617 /nfs/dbraw/zinc/50/26/17/303502617.db2.gz RWTROLMSSOPTLS-UHFFFAOYSA-N -1 0 299.149 2.853 50 0 CFAARM Cc1ccc2[nH]cc(-c3cnn(C)c3C(=O)[O-])c2c1 ZINC000534575255 328309843 /nfs/dbraw/zinc/30/98/43/328309843.db2.gz XFOLWLOXYRRVJU-UHFFFAOYSA-N -1 0 255.277 2.575 50 0 CFAARM CCNC(=O)c1ccc(-c2cccc(C(=O)[O-])c2)cc1 ZINC000534579001 328311112 /nfs/dbraw/zinc/31/11/12/328311112.db2.gz GWMALWNJQZRCJN-UHFFFAOYSA-N -1 0 269.300 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CFAARM Nc1ncc(-c2ccccc2Cl)c(SCC(=O)[O-])n1 ZINC000000392449 371603290 /nfs/dbraw/zinc/60/32/90/371603290.db2.gz VEXMXAOYZRMHLH-UHFFFAOYSA-N -1 0 295.751 2.556 50 0 CFAARM CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000402078 371607084 /nfs/dbraw/zinc/60/70/84/371607084.db2.gz BVICRFJGNOHROJ-KGLIPLIRSA-N -1 0 289.331 2.691 50 0 CFAARM O=C([O-])c1ccccc1C(=O)Nc1ccccc1F ZINC000000410319 371608315 /nfs/dbraw/zinc/60/83/15/371608315.db2.gz NCAMTWLAPLDJCF-UHFFFAOYSA-N -1 0 259.236 2.776 50 0 CFAARM Cc1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000438678 371614350 /nfs/dbraw/zinc/61/43/50/371614350.db2.gz OPLGDXIYOJUPRU-VXGBXAGGSA-N -1 0 259.305 2.601 50 0 CFAARM Cc1ccc(-c2nc3ccccc3c(=O)n2[O-])cc1 ZINC000001401790 371672090 /nfs/dbraw/zinc/67/20/90/371672090.db2.gz OPFUJVVBZHYYPQ-UHFFFAOYSA-N -1 0 252.273 2.609 50 0 CFAARM O=c1c2ccc(Cl)cc2nc(-c2ccccc2)n1[O-] ZINC000001401795 371672313 /nfs/dbraw/zinc/67/23/13/371672313.db2.gz YRMSLMDDEFMRDO-UHFFFAOYSA-N -1 0 272.691 2.954 50 0 CFAARM COc1ccc(-c2cccc(C(=O)NCCC(=O)[O-])c2)cc1 ZINC000000464613 371621866 /nfs/dbraw/zinc/62/18/66/371621866.db2.gz LQEOBHLMZSFHFQ-UHFFFAOYSA-N -1 0 299.326 2.567 50 0 CFAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(F)cc1F ZINC000000461466 371622090 /nfs/dbraw/zinc/62/20/90/371622090.db2.gz RVYFZANWXUMSSV-VHSXEESVSA-N -1 0 283.274 2.794 50 0 CFAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(F)cc1F ZINC000000474129 371625141 /nfs/dbraw/zinc/62/51/41/371625141.db2.gz BKYTYIUGTAYALG-NXEZZACHSA-N -1 0 281.258 2.570 50 0 CFAARM CC(=O)N(Cc1ccccc1)c1ccc(C(=O)[O-])cc1 ZINC000000522880 371633584 /nfs/dbraw/zinc/63/35/84/371633584.db2.gz PHJMLZLNOJXKOC-UHFFFAOYSA-N -1 0 269.300 2.938 50 0 CFAARM CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)[O-])c(Cl)cc12 ZINC000000523190 371635913 /nfs/dbraw/zinc/63/59/13/371635913.db2.gz WSENSGWXVHWIOS-ZETCQYMHSA-N -1 0 296.706 2.861 50 0 CFAARM O=C([O-])C[C@@H](CC(=O)Nc1ccccn1)c1ccccc1 ZINC000000543667 371638121 /nfs/dbraw/zinc/63/81/21/371638121.db2.gz 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372018510 /nfs/dbraw/zinc/01/85/10/372018510.db2.gz VMLMMWDEFWLNLT-UHFFFAOYSA-N -1 0 273.263 2.705 50 0 CFAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC000013178120 372019660 /nfs/dbraw/zinc/01/96/60/372019660.db2.gz DQLDIIFSIKREPC-OCCSQVGLSA-N -1 0 291.322 2.814 50 0 CFAARM Cc1ccccc1CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000013224928 372019884 /nfs/dbraw/zinc/01/98/84/372019884.db2.gz FMAPCQHIDSADQL-INIZCTEOSA-N -1 0 297.354 2.870 50 0 CFAARM O=C([O-])C[C@H](NC(=O)C1CCCC1)c1ccc(F)cc1 ZINC000013176233 372020366 /nfs/dbraw/zinc/02/03/66/372020366.db2.gz OAXRUIXRMBZLCM-ZDUSSCGKSA-N -1 0 279.311 2.648 50 0 CFAARM CSc1nc(-c2ccc(Cl)cc2)nc(=O)[n-]1 ZINC000013465933 372027788 /nfs/dbraw/zinc/02/77/88/372027788.db2.gz IXIYSQXWGAGAGK-UHFFFAOYSA-N -1 0 253.714 2.620 50 0 CFAARM O=C([O-])c1cccc(CSc2nnc3ccccn32)c1 ZINC000013061869 372012578 /nfs/dbraw/zinc/01/25/78/372012578.db2.gz ZLBAHTXDCRYCSO-UHFFFAOYSA-N -1 0 285.328 2.720 50 0 CFAARM O=C([O-])/C=C/C(=O)Nc1ccc2c3c(cccc31)CC2 ZINC000013039777 372013216 /nfs/dbraw/zinc/01/32/16/372013216.db2.gz ZGKCNHGCSZDDII-CMDGGOBGSA-N -1 0 267.284 2.518 50 0 CFAARM CC(C)CSc1nnc(Cc2ccccc2)c(=O)[n-]1 ZINC000016623147 372114097 /nfs/dbraw/zinc/11/40/97/372114097.db2.gz GGLRDJPWEAJTAA-UHFFFAOYSA-N -1 0 275.377 2.916 50 0 CFAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2cnccn2)cc1 ZINC000014253121 372065482 /nfs/dbraw/zinc/06/54/82/372065482.db2.gz PNJDMVQXWWBYSV-LLVKDONJSA-N -1 0 291.376 2.791 50 0 CFAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2cnccn2)cc1 ZINC000014253123 372065511 /nfs/dbraw/zinc/06/55/11/372065511.db2.gz PNJDMVQXWWBYSV-NSHDSACASA-N -1 0 291.376 2.791 50 0 CFAARM Cc1ccccc1Nc1nc(=O)c(C(C)(C)C)n[n-]1 ZINC000016776997 372119287 /nfs/dbraw/zinc/11/92/87/372119287.db2.gz WITHUQABBXVZFD-UHFFFAOYSA-N -1 0 258.325 2.514 50 0 CFAARM O=c1cc(Oc2ccc(O)cc2)oc2cc([O-])cc(O)c12 ZINC000014775976 372073684 /nfs/dbraw/zinc/07/36/84/372073684.db2.gz UBSCDKPKWHYZNX-UHFFFAOYSA-N -1 0 286.239 2.702 50 0 biogenic,in-vitro CFAARM CCn1nc(CC(C)C)c(Br)c1C(=O)[O-] ZINC000014985195 372076265 /nfs/dbraw/zinc/07/62/65/372076265.db2.gz PEIKPZBBHPNEPD-UHFFFAOYSA-N -1 0 275.146 2.562 50 0 CFAARM COc1ccccc1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000016101048 372099421 /nfs/dbraw/zinc/09/94/21/372099421.db2.gz AESCXVOBHVZALF-UHFFFAOYSA-N -1 0 299.298 2.774 50 0 CFAARM CCCCCc1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O ZINC000018090432 372139467 /nfs/dbraw/zinc/13/94/67/372139467.db2.gz QXGOZRXPBZCHFH-UHFFFAOYSA-N -1 0 274.368 2.614 50 0 CFAARM CCCCCc1c(C)nc2[n-]c(C(F)(F)F)nn2c1=O ZINC000018223172 372145965 /nfs/dbraw/zinc/14/59/65/372145965.db2.gz DGPWOTSUSJUNTC-UHFFFAOYSA-N -1 0 288.273 2.890 50 0 CFAARM CC[C@H](C)n1ncc2c1nc(C1CC1)cc2C(=O)[O-] ZINC000019258346 372151600 /nfs/dbraw/zinc/15/16/00/372151600.db2.gz ZYNVJPTVIHFKON-QMMMGPOBSA-N -1 0 259.309 2.978 50 0 CFAARM O=C([O-])[C@H](c1ccccc1)n1cnc2ccccc21 ZINC000019409470 372160260 /nfs/dbraw/zinc/16/02/60/372160260.db2.gz BIZKTRSAFQSFOH-AWEZNQCLSA-N -1 0 252.273 2.710 50 0 CFAARM 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383466668 /nfs/dbraw/zinc/46/66/68/383466668.db2.gz ZJPSTBBEHKKXHG-UHFFFAOYSA-N -1 0 286.287 2.545 50 0 CFAARM CC(=NNc1ccc(C(=O)[O-])cc1)c1cnn(C(C)C)c1 ZINC000254843415 383471924 /nfs/dbraw/zinc/47/19/24/383471924.db2.gz RZYGGFYNXFYDSM-UHFFFAOYSA-N -1 0 286.335 2.998 50 0 CFAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000252584655 383419246 /nfs/dbraw/zinc/41/92/46/383419246.db2.gz BZRJUZUVZHHCAX-KKUMJFAQSA-N -1 0 287.359 2.564 50 0 CFAARM Cc1coc(CC(=O)[O-])c1C(=O)NC1(c2ccccc2)CC1 ZINC000262897833 383643712 /nfs/dbraw/zinc/64/37/12/383643712.db2.gz IKLFHPPWMQFWCV-UHFFFAOYSA-N -1 0 299.326 2.634 50 0 CFAARM Cc1cc(Cl)c(NC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000263114040 383654681 /nfs/dbraw/zinc/65/46/81/383654681.db2.gz WAGYGKSNFJJSIL-SNVBAGLBSA-N -1 0 296.754 2.895 50 0 CFAARM O=C([O-])c1ccc(N2CCc3ccccc3C2)cc1 ZINC000020079968 304247098 /nfs/dbraw/zinc/24/70/98/304247098.db2.gz MLBXNTONPUZECI-UHFFFAOYSA-N -1 0 253.301 2.948 50 0 CFAARM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000087781754 304255989 /nfs/dbraw/zinc/25/59/89/304255989.db2.gz MLWAMMCKVQFXRJ-FZMZJTMJSA-N -1 0 273.332 2.790 50 0 CFAARM O=C([O-])c1cccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1 ZINC000087781752 304255998 /nfs/dbraw/zinc/25/59/98/304255998.db2.gz MLWAMMCKVQFXRJ-RISCZKNCSA-N -1 0 273.332 2.790 50 0 CFAARM Cc1cc(NC(=O)[C@H]2C[C@H]2c2cccnc2)ccc1C(=O)[O-] ZINC000120407268 412997138 /nfs/dbraw/zinc/99/71/38/412997138.db2.gz FJHOGEPUFKGPRZ-GJZGRUSLSA-N -1 0 296.326 2.830 50 0 CFAARM CCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000034792498 285169323 /nfs/dbraw/zinc/16/93/23/285169323.db2.gz UTNODEZXXNTXPV-GXFFZTMASA-N -1 0 281.739 2.724 50 0 CFAARM CCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000006658301 285169451 /nfs/dbraw/zinc/16/94/51/285169451.db2.gz UMLQXMOZFGLWBI-WCQYABFASA-N -1 0 281.739 2.724 50 0 CFAARM O=C([O-])c1cccc2ncc(Br)cc21 ZINC000095616303 304266428 /nfs/dbraw/zinc/26/64/28/304266428.db2.gz AHSLKFZOVNDIDM-UHFFFAOYSA-N -1 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170231506 /nfs/dbraw/zinc/23/15/06/170231506.db2.gz FXHQIHBPOVUUHF-CHWSQXEVSA-N -1 0 288.347 2.776 50 0 CFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1cc(F)ccc1F ZINC000006729854 170234833 /nfs/dbraw/zinc/23/48/33/170234833.db2.gz IDQZCPAQRNUFCK-ZJUUUORDSA-N -1 0 283.274 2.794 50 0 CFAARM Cc1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000006741627 170237415 /nfs/dbraw/zinc/23/74/15/170237415.db2.gz LJVMPDKGSGATRR-UHFFFAOYSA-N -1 0 271.338 2.996 50 0 CFAARM Cc1cnc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])s1 ZINC000006741914 170237691 /nfs/dbraw/zinc/23/76/91/170237691.db2.gz ABFLIJUPYDSQAR-JPPWEJMLSA-N -1 0 294.376 2.527 50 0 CFAARM Cc1nn(-c2cccc(Cl)c2)c(C)c1C(=O)[O-] ZINC000006770809 170242470 /nfs/dbraw/zinc/24/24/70/170242470.db2.gz IYVASSHFRHUQIT-UHFFFAOYSA-N -1 0 250.685 2.841 50 0 CFAARM O=C([O-])CCC(=O)NCc1cccc(Oc2ccccc2)c1 ZINC000006810126 170245641 /nfs/dbraw/zinc/24/56/41/170245641.db2.gz AFNKGBSPGFQIHK-UHFFFAOYSA-N -1 0 299.326 2.960 50 0 CFAARM O=C(OCc1ccccn1)c1ccc([O-])c(Cl)c1 ZINC000006831041 170247276 /nfs/dbraw/zinc/24/72/76/170247276.db2.gz DJNKRMYAPHMPFY-UHFFFAOYSA-N -1 0 263.680 2.798 50 0 CFAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000007056402 170264879 /nfs/dbraw/zinc/26/48/79/170264879.db2.gz DVWASFRHHPSHSS-UHFFFAOYSA-N -1 0 295.335 2.944 50 0 CFAARM O=C([O-])c1c[nH]nc1-c1cccc(Br)c1 ZINC000008700072 170346394 /nfs/dbraw/zinc/34/63/94/170346394.db2.gz HXZRKWVFIZVNLV-UHFFFAOYSA-N -1 0 267.082 2.537 50 0 CFAARM Cc1ccc(S(=O)(=O)Nc2ccsc2C(=O)[O-])cc1 ZINC000008725710 170350030 /nfs/dbraw/zinc/35/00/30/170350030.db2.gz QMGTZNNYUCJDJV-UHFFFAOYSA-N -1 0 297.357 2.556 50 0 CFAARM Cc1cc(O)ccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000008908336 170358497 /nfs/dbraw/zinc/35/84/97/170358497.db2.gz HWXGLGQUBUTUGE-NWDGAFQWSA-N -1 0 277.320 2.530 50 0 CFAARM COc1cccc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000008924826 170359149 /nfs/dbraw/zinc/35/91/49/170359149.db2.gz FGHQZEYEMKXDGC-OAHLLOKOSA-N -1 0 299.326 2.892 50 0 CFAARM 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CFAARM O=C([O-])[C@@H](CC(=O)NCc1ccccc1)Cc1ccccc1 ZINC000035141669 172009145 /nfs/dbraw/zinc/00/91/45/172009145.db2.gz POFYWAFWHIXXAS-MRXNPFEDSA-N -1 0 297.354 2.636 50 0 CFAARM CC(C)(C)c1nc(CN2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000035296973 172110207 /nfs/dbraw/zinc/11/02/07/172110207.db2.gz HYVCAJSPTMMKIF-SNVBAGLBSA-N -1 0 282.409 2.737 50 0 CFAARM CC(C)CC(=O)Nc1ccc(N2CCCC2)cc1C(=O)[O-] ZINC000035482645 172222019 /nfs/dbraw/zinc/22/20/19/172222019.db2.gz AHEGRUGWDSHSCM-UHFFFAOYSA-N -1 0 290.363 2.970 50 0 CFAARM CCCCc1ccc(C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000036972883 172840008 /nfs/dbraw/zinc/84/00/08/172840008.db2.gz FWDHYDUCQHJEPM-UHFFFAOYSA-N -1 0 289.375 2.966 50 0 CFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2csc3c2CCCC3)C1 ZINC000037410503 173187139 /nfs/dbraw/zinc/18/71/39/173187139.db2.gz NVIGVLORSUXALK-SNVBAGLBSA-N -1 0 293.388 2.564 50 0 CFAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 ZINC000037416368 173192927 /nfs/dbraw/zinc/19/29/27/173192927.db2.gz NUGGLKMRZRCCRE-NSHDSACASA-N -1 0 289.356 2.838 50 0 CFAARM Cc1ccccc1-c1[nH]nc(C(=O)[O-])c1Br ZINC000038478092 174141804 /nfs/dbraw/zinc/14/18/04/174141804.db2.gz IASGRFQFNAVZHO-UHFFFAOYSA-N -1 0 281.109 2.846 50 0 CFAARM O=C([O-])/C=C/c1ccc(F)c(OC(F)(F)F)c1 ZINC000039712948 174171509 /nfs/dbraw/zinc/17/15/09/174171509.db2.gz AOYJIQXFVDXRLK-DUXPYHPUSA-N -1 0 250.147 2.822 50 0 CFAARM Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1F ZINC000043583483 175070360 /nfs/dbraw/zinc/07/03/60/175070360.db2.gz WYQIQXAOUPNJKE-GFCCVEGCSA-N -1 0 293.338 2.851 50 0 CFAARM CCc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)o1 ZINC000043584384 175070779 /nfs/dbraw/zinc/07/07/79/175070779.db2.gz QSSCQYOTUBYUGD-LLVKDONJSA-N -1 0 279.336 2.559 50 0 CFAARM Cc1[nH]nc(-c2ccc(Cl)cc2)c1CC(=O)[O-] ZINC000044902262 175274690 /nfs/dbraw/zinc/27/46/90/175274690.db2.gz QOKVQVXYAOWYSF-UHFFFAOYSA-N -1 0 250.685 2.666 50 0 CFAARM O=S(=O)([N-]C1CCCCC1)c1c(F)cccc1F ZINC000045296205 175354383 /nfs/dbraw/zinc/35/43/83/175354383.db2.gz JJCBOLCUPBPIMC-UHFFFAOYSA-N -1 0 275.320 2.576 50 0 CFAARM O=C([O-])C[C@H](CC(=O)NCc1ccccc1)c1ccccc1 ZINC000057626861 175600709 /nfs/dbraw/zinc/60/07/09/175600709.db2.gz GIKAGDBEJFHVFX-INIZCTEOSA-N -1 0 297.354 2.951 50 0 CFAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cnc2ccccc2c1 ZINC000071282974 176109369 /nfs/dbraw/zinc/10/93/69/176109369.db2.gz SZIDPWDURJYXTN-CHWSQXEVSA-N -1 0 284.315 2.530 50 0 CFAARM Cc1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1C ZINC000071405216 176155081 /nfs/dbraw/zinc/15/50/81/176155081.db2.gz IRASFFDIGLTBKR-NWDGAFQWSA-N -1 0 261.321 2.743 50 0 CFAARM CCCCOc1ccc(C([O-])=CC(=O)OC)cc1 ZINC000071571961 176198102 /nfs/dbraw/zinc/19/81/02/176198102.db2.gz ZDRVYGKCEAEQKT-UHFFFAOYSA-N -1 0 250.294 2.611 50 0 CFAARM O=S(=O)([N-]c1ccncc1)c1cccc(Cl)c1F ZINC000072275626 176356331 /nfs/dbraw/zinc/35/63/31/176356331.db2.gz MMJZKMHLLJMXRM-UHFFFAOYSA-N -1 0 286.715 2.675 50 0 CFAARM C[C@@H](O)c1cccc(NC(=O)Cc2ccccc2C(=O)[O-])c1 ZINC000072402030 176396954 /nfs/dbraw/zinc/39/69/54/176396954.db2.gz 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/nfs/dbraw/zinc/41/39/73/278413973.db2.gz KMTRFKAFNRHBCH-GFCCVEGCSA-N -1 0 277.320 2.606 50 0 CFAARM CC(C)(C)OC(=O)N[C@@H]1CCc2c(cccc2C(=O)[O-])C1 ZINC000215765300 278440353 /nfs/dbraw/zinc/44/03/53/278440353.db2.gz VNSFCRMTSFYSNY-LLVKDONJSA-N -1 0 291.347 2.767 50 0 CFAARM CC(C)(C)c1cc(C(F)(F)F)n2nc(C(=O)[O-])cc2n1 ZINC000000268080 278557717 /nfs/dbraw/zinc/55/77/17/278557717.db2.gz DIAQPHDOZXOALC-UHFFFAOYSA-N -1 0 287.241 2.744 50 0 CFAARM CC[C@H](Nc1nc(C)nc2c3ccccc3oc21)C(=O)[O-] ZINC000006952530 288093465 /nfs/dbraw/zinc/09/34/65/288093465.db2.gz MKTPCZLNAGRLRD-JTQLQIEISA-N -1 0 285.303 2.960 50 0 CFAARM Cc1nc(-c2ccccc2)[n-]c(=O)c1Br ZINC000008691821 279062624 /nfs/dbraw/zinc/06/26/24/279062624.db2.gz ZQQRRQHLBLXFLR-UHFFFAOYSA-N -1 0 265.110 2.508 50 0 CFAARM CC(C)[C@H](CCC(=O)NC1CCCCC1)C(=O)[O-] ZINC000004827625 280231000 /nfs/dbraw/zinc/23/10/00/280231000.db2.gz SEHXCOTYDLTHEY-LBPRGKRZSA-N -1 0 255.358 2.572 50 0 CFAARM CC(C)[C@H]1CCCN1C(=O)CC(C)(C)CC(=O)[O-] ZINC000088836097 280378529 /nfs/dbraw/zinc/37/85/29/280378529.db2.gz JTHZEXBCQWFQMO-LLVKDONJSA-N -1 0 255.358 2.524 50 0 CFAARM CC(C)c1ccsc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000236811885 280653339 /nfs/dbraw/zinc/65/33/39/280653339.db2.gz HDRHADSYRYTCJN-CQSZACIVSA-N -1 0 281.377 2.808 50 0 CFAARM CC1(C)CO[C@@H](c2ccccc2Cl)CN1CC(=O)[O-] ZINC000095397887 281296001 /nfs/dbraw/zinc/29/60/01/281296001.db2.gz DUEQRJGAYWTAFI-GFCCVEGCSA-N -1 0 283.755 2.577 50 0 CFAARM c1nc(C2CC2)sc1CN=c1[n-]ncn1-c1ccccc1 ZINC000559999424 282013423 /nfs/dbraw/zinc/01/34/23/282013423.db2.gz VAEUHBBVHKBNAM-UHFFFAOYSA-N -1 0 297.387 2.635 50 0 CFAARM COc1c(C)c(C)c2c(c1C)CC[C@](C)(C(=O)[O-])O2 ZINC000000057642 294888072 /nfs/dbraw/zinc/88/80/72/294888072.db2.gz MNBMVDGIDVXTOF-OAHLLOKOSA-N -1 0 264.321 2.789 50 0 CFAARM COc1cc(OC)c(Cl)c(C(=O)[O-])c1Cl ZINC000071772185 295006600 /nfs/dbraw/zinc/00/66/00/295006600.db2.gz SOTISHMVHPPTBO-UHFFFAOYSA-N -1 0 251.065 2.709 50 0 CFAARM COc1ccc(-c2cncc(C(=O)[O-])n2)c2ccc(C)nc12 ZINC000215545872 295047527 /nfs/dbraw/zinc/04/75/27/295047527.db2.gz MGVOQMAVSAFFLB-UHFFFAOYSA-N -1 0 295.298 2.707 50 0 CFAARM COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)[O-])cc1 ZINC000038314812 295051972 /nfs/dbraw/zinc/05/19/72/295051972.db2.gz BFYFZAUTJOTSSE-UHFFFAOYSA-N -1 0 286.209 2.598 50 0 CFAARM COc1ccc(/C=C2/C(=O)Nc3ccc(C(=O)[O-])cc32)cc1 ZINC000013150353 295053176 /nfs/dbraw/zinc/05/31/76/295053176.db2.gz IXVZZGXQVYCCLU-RIYZIHGNSA-N -1 0 295.294 2.886 50 0 CFAARM COc1ccc(C(=O)C[C@@H](C)CC(=O)[O-])c(C)c1 ZINC000085652158 295077575 /nfs/dbraw/zinc/07/75/75/295077575.db2.gz MCOJKJYDWJSUAB-SECBINFHSA-N -1 0 250.294 2.687 50 0 CFAARM COc1ccc(C)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000002737036 295106690 /nfs/dbraw/zinc/10/66/90/295106690.db2.gz LOSQAFFZJXBKHL-NEPJUHHUSA-N -1 0 289.331 2.609 50 0 CFAARM COc1ccc(Cl)cc1-n1cccc1C(=O)[O-] ZINC000012404845 295143378 /nfs/dbraw/zinc/14/33/78/295143378.db2.gz CFYSMISGHSFOIY-UHFFFAOYSA-N -1 0 251.669 2.838 50 0 CFAARM Cc1c(F)cccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000620549 300968225 /nfs/dbraw/zinc/96/82/25/300968225.db2.gz AVXROKPROSLEOP-WDEREUQCSA-N -1 0 277.295 2.740 50 0 CFAARM Cc1cc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c(C)o1 ZINC000022170970 301126114 /nfs/dbraw/zinc/12/61/14/301126114.db2.gz MYPHQZPLJGLLTQ-HNNXBMFYSA-N -1 0 299.326 2.548 50 0 CFAARM Cc1cc(C(=O)[O-])nn1-c1ccc(Br)cc1 ZINC000008700445 301157485 /nfs/dbraw/zinc/15/74/85/301157485.db2.gz GBVBVQGYDHSPRL-UHFFFAOYSA-N -1 0 281.109 2.641 50 0 CFAARM O=Cc1ccc(OCc2ccccc2C(=O)[O-])cc1 ZINC000035415298 304725062 /nfs/dbraw/zinc/72/50/62/304725062.db2.gz NIIXHVRQXBKQQT-UHFFFAOYSA-N -1 0 256.257 2.776 50 0 CFAARM Cc1cc(C)nc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000002747360 301265033 /nfs/dbraw/zinc/26/50/33/301265033.db2.gz DRIVHGSMFNPLGN-NEPJUHHUSA-N -1 0 276.336 2.528 50 0 CFAARM Cc1cc2cc(C(=O)N3CCCC[C@@H]3C(=O)[O-])ccc2o1 ZINC000095524050 301459380 /nfs/dbraw/zinc/45/93/80/301459380.db2.gz YHQXWYAMHRHNKM-CYBMUJFWSA-N -1 0 287.315 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371562138 /nfs/dbraw/zinc/56/21/38/371562138.db2.gz QJPNFHXHBRFPBS-UHFFFAOYSA-N -1 0 285.299 2.711 50 0 CFAARM COc1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000000243753 371568456 /nfs/dbraw/zinc/56/84/56/371568456.db2.gz XOEANOWTZYEGPB-GHMZBOCLSA-N -1 0 277.320 2.525 50 0 CFAARM O=S(=O)([N-]c1ccccc1F)c1cccs1 ZINC000000249355 371568465 /nfs/dbraw/zinc/56/84/65/371568465.db2.gz MURSSUJNTVBYDK-UHFFFAOYSA-N -1 0 257.311 2.688 50 0 CFAARM Cc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000000285167 371578398 /nfs/dbraw/zinc/57/83/98/371578398.db2.gz BKKDKRFPDRPFKB-UHFFFAOYSA-N -1 0 255.273 2.946 50 0 CFAARM Cc1cccc2sc(NC(=O)CCCC(=O)[O-])nc21 ZINC000000287325 371578546 /nfs/dbraw/zinc/57/85/46/371578546.db2.gz SZQZTRVNRCYWIF-UHFFFAOYSA-N -1 0 278.333 2.798 50 0 CFAARM O=S(=O)([N-]c1ccccn1)c1ccccc1Cl ZINC000000295264 371581434 /nfs/dbraw/zinc/58/14/34/371581434.db2.gz MERVJTPMBGNSTR-UHFFFAOYSA-N -1 0 268.725 2.536 50 0 CFAARM CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1 ZINC000000308545 371584439 /nfs/dbraw/zinc/58/44/39/371584439.db2.gz UMYWOJQQPNWGJN-UHFFFAOYSA-N -1 0 292.360 2.590 50 0 CFAARM CC(C)(C)c1ccc(C(=O)N2CSC[C@H]2C(=O)[O-])cc1 ZINC000000320760 371587276 /nfs/dbraw/zinc/58/72/76/371587276.db2.gz DWQBUXLRDLZXCD-LBPRGKRZSA-N -1 0 293.388 2.584 50 0 CFAARM CC(C)(C)c1ccc(C(=O)N2CSC[C@@H]2C(=O)[O-])cc1 ZINC000000320762 371587876 /nfs/dbraw/zinc/58/78/76/371587876.db2.gz DWQBUXLRDLZXCD-GFCCVEGCSA-N -1 0 293.388 2.584 50 0 CFAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000000383491 371600493 /nfs/dbraw/zinc/60/04/93/371600493.db2.gz ZJPGVRKOVQRPHT-UHFFFAOYSA-N -1 0 277.345 2.886 50 0 CFAARM COc1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cc1 ZINC000000387180 371602123 /nfs/dbraw/zinc/60/21/23/371602123.db2.gz WVXXLLMAIGSBPU-UHFFFAOYSA-N -1 0 299.298 2.774 50 0 CFAARM Cc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000397882 371605361 /nfs/dbraw/zinc/60/53/61/371605361.db2.gz RASUCJZQQDCYQW-STQMWFEESA-N -1 0 261.321 2.825 50 0 CFAARM O=Cc1ccccc1OCc1cccc(C(=O)[O-])c1 ZINC000000455024 371619977 /nfs/dbraw/zinc/61/99/77/371619977.db2.gz JAFPRIKYEWBXTJ-UHFFFAOYSA-N -1 0 256.257 2.776 50 0 CFAARM O=C([N-]Cc1cc(-c2ccccc2)no1)C(F)(F)F ZINC000001398165 371672156 /nfs/dbraw/zinc/67/21/56/371672156.db2.gz ZLPAAXBLRDTOQU-UHFFFAOYSA-N -1 0 270.210 2.520 50 0 CFAARM O=C([O-])c1cccc(NC(=O)/C=C/c2ccccc2)c1O ZINC000001429483 371675412 /nfs/dbraw/zinc/67/54/12/371675412.db2.gz JCPRJCBRPBRAEL-MDZDMXLPSA-N -1 0 283.283 2.742 50 0 CFAARM O=C([O-])CC1(CC(=O)NCc2ccccc2)CCCC1 ZINC000000532840 371637650 /nfs/dbraw/zinc/63/76/50/371637650.db2.gz NXGCSRPFYGBFQP-UHFFFAOYSA-N -1 0 275.348 2.728 50 0 CFAARM COc1cccc([C@H](CC(=O)[O-])NC(=O)OC(C)(C)C)c1 ZINC000002389127 371725424 /nfs/dbraw/zinc/72/54/24/371725424.db2.gz DNXONWHJJNOKEU-LBPRGKRZSA-N -1 0 295.335 2.736 50 0 CFAARM CCCCOc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1 ZINC000002499706 371729985 /nfs/dbraw/zinc/72/99/85/371729985.db2.gz OUYUBHLGEPHASR-QWHCGFSZSA-N -1 0 281.377 2.654 50 0 CFAARM CCCCC[C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C ZINC000002530034 371733018 /nfs/dbraw/zinc/73/30/18/371733018.db2.gz LCMKZSKQXGASTD-JTQLQIEISA-N -1 0 259.346 2.935 50 0 CFAARM Cc1nn(C)c(C)c1-c1cc(C(=O)[O-])c2ccccc2n1 ZINC000002537993 371734677 /nfs/dbraw/zinc/73/46/77/371734677.db2.gz RDQFFVKXCIKFAU-UHFFFAOYSA-N -1 0 281.315 2.950 50 0 CFAARM CCOc1ccc(NC(=O)c2ccccc2CC(=O)[O-])cc1 ZINC000002562006 371736029 /nfs/dbraw/zinc/73/60/29/371736029.db2.gz PKDKMGZCEXBZGE-UHFFFAOYSA-N -1 0 299.326 2.965 50 0 CFAARM CC(=O)N(c1nc(/C=C/C(=O)[O-])cs1)c1ccccc1 ZINC000002617544 371743487 /nfs/dbraw/zinc/74/34/87/371743487.db2.gz VSMIOQNPRCYJKR-BQYQJAHWSA-N -1 0 288.328 2.926 50 0 CFAARM O=c1c2ccc(Cl)cc2[n-]c(=S)n1Cc1ccco1 ZINC000003327454 371790920 /nfs/dbraw/zinc/79/09/20/371790920.db2.gz HNBUUDYFIQATBH-UHFFFAOYSA-N -1 0 292.747 2.980 50 0 CFAARM CC(C)Oc1ccc(Br)cc1C(=O)[O-] ZINC000002584128 371741205 /nfs/dbraw/zinc/74/12/05/371741205.db2.gz KFUGUFQWYMSJBN-UHFFFAOYSA-N -1 0 259.099 2.935 50 0 CFAARM CC(C)(C)OC(=O)N[C@](C)(Cc1ccccc1)C(=O)[O-] ZINC000002583335 371741610 /nfs/dbraw/zinc/74/16/10/371741610.db2.gz FAXPKABRZLISKX-OAHLLOKOSA-N -1 0 279.336 2.597 50 0 CFAARM COc1cnc(SCCC(F)=C(F)F)[n-]c1=O ZINC000004024337 371829298 /nfs/dbraw/zinc/82/92/98/371829298.db2.gz USJABYSKWMEVCK-UHFFFAOYSA-N -1 0 266.244 2.751 50 0 CFAARM Cc1ccc(NC(=O)[C@@H](CC(=O)[O-])[C@H]2CCCO2)c(C)c1 ZINC000004082336 371831184 /nfs/dbraw/zinc/83/11/84/371831184.db2.gz LAZSVNWGHQPGDI-GXTWGEPZSA-N -1 0 291.347 2.512 50 0 CFAARM O=C1[N-]C(=O)[C@@H](Sc2ccc(Cl)cc2)S1 ZINC000004110095 371834067 /nfs/dbraw/zinc/83/40/67/371834067.db2.gz COUMIKAABNECQD-QMMMGPOBSA-N -1 0 259.739 2.741 50 0 CFAARM O=C([O-])C[C@@H](c1ccsc1)N1Cc2ccccc2C1=O ZINC000003855995 371820491 /nfs/dbraw/zinc/82/04/91/371820491.db2.gz XZFCONXROBVTJR-ZDUSSCGKSA-N -1 0 287.340 2.920 50 0 CFAARM O=Cc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000003884069 371822976 /nfs/dbraw/zinc/82/29/76/371822976.db2.gz KFWOTZCJKPDGPJ-CQSZACIVSA-N -1 0 256.257 2.704 50 0 CFAARM CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000003887272 371823096 /nfs/dbraw/zinc/82/30/96/371823096.db2.gz RSRQSHMLUDVDMC-SNVBAGLBSA-N -1 0 290.146 2.832 50 0 CFAARM Cc1ccsc1CNC(=O)CC(C)(C)CC(=O)[O-] ZINC000004324930 371851477 /nfs/dbraw/zinc/85/14/77/371851477.db2.gz QIRXFFVVKVIBDK-UHFFFAOYSA-N -1 0 269.366 2.564 50 0 CFAARM CC1(C)[C@H](C(=O)Nc2ccccc2N)CC[C@@]1(C)C(=O)[O-] ZINC000004622594 371867654 /nfs/dbraw/zinc/86/76/54/371867654.db2.gz ZYNIPUCPFRRREB-QFYYESIMSA-N -1 0 290.363 2.734 50 0 CFAARM CO[C@H](C(=O)Nc1ccccc1C(=O)[O-])c1ccccc1 ZINC000004673417 371871113 /nfs/dbraw/zinc/87/11/13/371871113.db2.gz MONPIRQAWYDGGV-AWEZNQCLSA-N -1 0 285.299 2.711 50 0 CFAARM Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)[O-] ZINC000004206245 371842173 /nfs/dbraw/zinc/84/21/73/371842173.db2.gz URVNDZLYLJMOHQ-UHFFFAOYSA-N -1 0 261.325 2.646 50 0 CFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000004218991 371842316 /nfs/dbraw/zinc/84/23/16/371842316.db2.gz RGSKNHMJQAGCOC-CYBMUJFWSA-N -1 0 283.327 2.777 50 0 CFAARM O=c1c2c(nc3c(-c4ccc(Cl)cc4)c[n-]n31)CCC2 ZINC000006557412 371890981 /nfs/dbraw/zinc/89/09/81/371890981.db2.gz UNVZWDYDXXGPOW-UHFFFAOYSA-N -1 0 285.734 2.832 50 0 CFAARM O=c1cc(-c2ccccc2)nc2[n-]c(C(F)(F)F)nn21 ZINC000009320247 371900484 /nfs/dbraw/zinc/90/04/84/371900484.db2.gz MQOIGBNTHFRCAG-UHFFFAOYSA-N -1 0 280.209 2.516 50 0 CFAARM CC(C)Cn1ncc2c1nc(C1CC1)cc2C(=O)[O-] ZINC000012396808 371960667 /nfs/dbraw/zinc/96/06/67/371960667.db2.gz RRKFTXYUERYMAB-UHFFFAOYSA-N -1 0 259.309 2.663 50 0 CFAARM COc1ccccc1CCC(=O)Nc1ccccc1C(=O)[O-] ZINC000012923940 372001310 /nfs/dbraw/zinc/00/13/10/372001310.db2.gz CVGLSRIASNAWFN-UHFFFAOYSA-N -1 0 299.326 2.965 50 0 CFAARM O=[P@@]([O-])(O)[C@@H](Nc1ccccc1)c1ccccc1 ZINC000012537000 371972820 /nfs/dbraw/zinc/97/28/20/371972820.db2.gz HINUYJUCAJFMPJ-CYBMUJFWSA-N -1 0 263.233 2.975 50 0 CFAARM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000012954760 372001988 /nfs/dbraw/zinc/00/19/88/372001988.db2.gz MYGPVQDUOSMACR-NSHDSACASA-N -1 0 279.336 2.897 50 0 CFAARM O=P([O-])([O-])[C@H]([NH2+]CCc1ccccc1)c1ccccc1 ZINC000012900886 371995960 /nfs/dbraw/zinc/99/59/60/371995960.db2.gz RSWRBGZDEVASIP-HNNXBMFYSA-N -1 0 291.287 2.695 50 0 CFAARM O=C([O-])C[C@@H](NC(=O)C1CCCC1)c1ccc(F)cc1 ZINC000013176232 372020198 /nfs/dbraw/zinc/02/01/98/372020198.db2.gz OAXRUIXRMBZLCM-CYBMUJFWSA-N -1 0 279.311 2.648 50 0 CFAARM O=C([O-])COc1ccccc1OCc1ccc(F)cc1 ZINC000013189949 372020341 /nfs/dbraw/zinc/02/03/41/372020341.db2.gz YPIWCQPCXPZDCK-UHFFFAOYSA-N -1 0 276.263 2.868 50 0 CFAARM O=C([O-])C[C@@H](NC(=O)C1CCCC1)c1cccs1 ZINC000013389052 372025880 /nfs/dbraw/zinc/02/58/80/372025880.db2.gz ZVHBVKREDRMPIK-SNVBAGLBSA-N -1 0 267.350 2.570 50 0 CFAARM O=[P@]([O-])(O)[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000013441050 372026294 /nfs/dbraw/zinc/02/62/94/372026294.db2.gz FUFUIWVQOLNOEL-ZDUSSCGKSA-N -1 0 264.217 2.522 50 0 CFAARM CC[C@H](C)[C@H](NC(=O)N(CC)c1ccccc1)C(=O)[O-] ZINC000013656522 372039583 /nfs/dbraw/zinc/03/95/83/372039583.db2.gz QGEGEAIGXMISBN-AAEUAGOBSA-N -1 0 278.352 2.722 50 0 CFAARM Cn1c(CCCC(=O)[O-])nc2cc(Cl)ccc21 ZINC000014001336 372057157 /nfs/dbraw/zinc/05/71/57/372057157.db2.gz LKRNBBIFVGBJNQ-UHFFFAOYSA-N -1 0 252.701 2.634 50 0 CFAARM CC(=O)c1cc(-c2ccccc2)n(CC(=O)[O-])c1C ZINC000016578311 372110217 /nfs/dbraw/zinc/11/02/17/372110217.db2.gz PVLWJYNJIAWGLX-UHFFFAOYSA-N -1 0 257.289 2.751 50 0 CFAARM O=C([O-])CSc1nnc(Nc2ccc(F)cc2)s1 ZINC000014185189 372062404 /nfs/dbraw/zinc/06/24/04/372062404.db2.gz DGTUEYJCWJJSFW-UHFFFAOYSA-N -1 0 285.325 2.598 50 0 CFAARM CCn1ccc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)n1 ZINC000014248903 372066021 /nfs/dbraw/zinc/06/60/21/372066021.db2.gz YFXVJZFPPCHVPI-UHFFFAOYSA-N -1 0 293.392 2.827 50 0 CFAARM CC[C@H](C)Oc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1Cl ZINC000015012879 372077216 /nfs/dbraw/zinc/07/72/16/372077216.db2.gz OCYVBRVPYQVYNR-CLUBXZQOSA-N -1 0 294.738 2.698 50 0 CFAARM O=C([O-])/C=C\C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000015798857 372093561 /nfs/dbraw/zinc/09/35/61/372093561.db2.gz XBKBYAZSYJLJKK-ARJAWSKDSA-N -1 0 293.628 2.938 50 0 CFAARM O=c1cc([O-])c2sc3nc4c(cc3c2[nH]1)CCCC4 ZINC000018142703 372141021 /nfs/dbraw/zinc/14/10/21/372141021.db2.gz XMIQSMWCALPNGM-UHFFFAOYSA-N -1 0 272.329 2.722 50 0 CFAARM CCOC(=O)C=C([O-])c1cc(Br)ccc1F ZINC000019045555 372146617 /nfs/dbraw/zinc/14/66/17/372146617.db2.gz XODIHCQWLRSGQI-UHFFFAOYSA-N -1 0 289.100 2.724 50 0 CFAARM CC(C)[C@@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)[O-] ZINC000019264406 372152990 /nfs/dbraw/zinc/15/29/90/372152990.db2.gz KYYXUCOBOBVOGO-MRXNPFEDSA-N -1 0 285.343 2.608 50 0 CFAARM CCc1ccc(C(=O)NCCCCCC(=O)[O-])cc1 ZINC000019410690 372159856 /nfs/dbraw/zinc/15/98/56/372159856.db2.gz ZTXKCDIMJAVPOB-UHFFFAOYSA-N -1 0 263.337 2.624 50 0 CFAARM O=C([O-])[C@H]1CCCCN1C(=O)CCCc1cccs1 ZINC000019401123 372160130 /nfs/dbraw/zinc/16/01/30/372160130.db2.gz XNROSLWYDWDNRN-GFCCVEGCSA-N -1 0 281.377 2.537 50 0 CFAARM CCc1c(C)nc2c(-c3ccc(OC)cc3)c(C)[n-]n2c1=O ZINC000017042573 372126361 /nfs/dbraw/zinc/12/63/61/372126361.db2.gz 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/nfs/dbraw/zinc/47/68/25/372476825.db2.gz RICUDUBWELQZHD-UHFFFAOYSA-N -1 0 297.314 2.802 50 0 CFAARM Cc1nc([C@@H](c2ccc(F)cc2)N(C)C)sc1C(=O)[O-] ZINC000032157577 372434378 /nfs/dbraw/zinc/43/43/78/372434378.db2.gz OFGPLACIECGGFC-LLVKDONJSA-N -1 0 294.351 2.940 50 0 CFAARM CCCC[C@H](NC(=O)CC1CCCCC1)C(=O)[O-] ZINC000035095637 372537093 /nfs/dbraw/zinc/53/70/93/372537093.db2.gz XAAKWBCRQYSGLG-LBPRGKRZSA-N -1 0 255.358 2.716 50 0 CFAARM Cc1c2ccccc2sc1C(=O)NCCCC(=O)[O-] ZINC000036968059 372616536 /nfs/dbraw/zinc/61/65/36/372616536.db2.gz FCVLRBXBMHAENL-UHFFFAOYSA-N -1 0 277.345 2.804 50 0 CFAARM O=Cc1cccc(O[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000036984038 372623184 /nfs/dbraw/zinc/62/31/84/372623184.db2.gz PHEHCULHBCXQKW-AWEZNQCLSA-N -1 0 256.257 2.704 50 0 CFAARM CCc1nc2sc3c(c2c(N[C@H](C)C(=O)[O-])n1)CCC3 ZINC000041090239 372811604 /nfs/dbraw/zinc/81/16/04/372811604.db2.gz FUJCRAMMIMVTGZ-SSDOTTSWSA-N -1 0 291.376 2.627 50 0 CFAARM Nc1nc(Nc2cccc(C(=O)[O-])c2)nc2ccccc12 ZINC000041146345 372818895 /nfs/dbraw/zinc/81/88/95/372818895.db2.gz FAAFTECGCTUKLV-UHFFFAOYSA-N -1 0 280.287 2.654 50 0 CFAARM COc1cc(C(=O)CCCCC(=O)[O-])cc(OC)c1OC ZINC000043214191 372984044 /nfs/dbraw/zinc/98/40/44/372984044.db2.gz KEVFWATXFXVPDJ-UHFFFAOYSA-N -1 0 296.319 2.540 50 0 CFAARM CCCC1(C(=O)[O-])CCN(C(=O)OC(C)(C)C)CC1 ZINC000047218846 373084157 /nfs/dbraw/zinc/08/41/57/373084157.db2.gz XGKHJZQIVNPLSM-UHFFFAOYSA-N -1 0 271.357 2.888 50 0 CFAARM O=c1nc(Cc2ccc(O)cc2)[n-]c2ccsc21 ZINC000048603524 373205960 /nfs/dbraw/zinc/20/59/60/373205960.db2.gz MZUQFOPBMJXKGB-UHFFFAOYSA-N -1 0 258.302 2.693 50 0 CFAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(Cl)c1 ZINC000000448771 304175745 /nfs/dbraw/zinc/17/57/45/304175745.db2.gz XKHZVWGSGZGLOH-RYUDHWBXSA-N -1 0 279.723 2.946 50 0 CFAARM O=C([O-])[C@H]1CCCCC[C@@H]1NC(=O)c1cccs1 ZINC000094743153 304176546 /nfs/dbraw/zinc/17/65/46/304176546.db2.gz BKYWGQRDNVOVQW-UWVGGRQHSA-N -1 0 267.350 2.511 50 0 CFAARM CC(C)(C)OC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC000057218614 373583666 /nfs/dbraw/zinc/58/36/66/373583666.db2.gz QREINCAOUANJDX-UHFFFAOYSA-N -1 0 288.303 2.526 50 0 CFAARM CCc1nc2sc(C)cc2c(N2CCC[C@H]2C(=O)[O-])n1 ZINC000057362957 373590181 /nfs/dbraw/zinc/59/01/81/373590181.db2.gz HPEFWOLWGZOODX-JTQLQIEISA-N -1 0 291.376 2.616 50 0 CFAARM CC(C)n1nccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000058304554 373642468 /nfs/dbraw/zinc/64/24/68/373642468.db2.gz YFGGPOYIFWVVEL-UHFFFAOYSA-N -1 0 299.783 2.918 50 0 CFAARM COc1ccc(C(C)(C)C(=O)[O-])cc1Br ZINC000057568492 373600503 /nfs/dbraw/zinc/60/05/03/373600503.db2.gz XQWMNVYLUMQCTA-UHFFFAOYSA-N -1 0 273.126 2.820 50 0 CFAARM O=C([O-])C[C@H](CC(=O)NCc1ccco1)c1cccs1 ZINC000057607364 373602094 /nfs/dbraw/zinc/60/20/94/373602094.db2.gz MIVAPOKONACKHJ-JTQLQIEISA-N -1 0 293.344 2.606 50 0 CFAARM O=C([O-])C[C@@H](NC(=O)CCC(F)(F)F)c1ccccc1 ZINC000058851418 373672594 /nfs/dbraw/zinc/67/25/94/373672594.db2.gz GGQXXWCLPIFCOH-SNVBAGLBSA-N -1 0 289.253 2.661 50 0 CFAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCc2ccccc2Cl)C1 ZINC000062913893 373772957 /nfs/dbraw/zinc/77/29/57/373772957.db2.gz TYAOYUCNEDUBBG-HNNXBMFYSA-N -1 0 295.766 2.596 50 0 CFAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCc2ccccc2Cl)C1 ZINC000062913894 373773835 /nfs/dbraw/zinc/77/38/35/373773835.db2.gz TYAOYUCNEDUBBG-OAHLLOKOSA-N -1 0 295.766 2.596 50 0 CFAARM CC1(C)[C@H](C(=O)[O-])[C@H]1c1nc(-c2ccccc2)no1 ZINC000061721836 373723273 /nfs/dbraw/zinc/72/32/73/373723273.db2.gz KSPRSMZRCAKRMX-UWVGGRQHSA-N -1 0 258.277 2.561 50 0 CFAARM CC1(C)[C@H](C(=O)Nc2cccc3ncccc32)[C@@H]1C(=O)[O-] ZINC000061721517 373724206 /nfs/dbraw/zinc/72/42/06/373724206.db2.gz KMDSSOSZAXYPLD-QWHCGFSZSA-N -1 0 284.315 2.530 50 0 CFAARM CCC(C)(C)c1ccc(O)c(N2C[C@@H](C(=O)[O-])CC2=O)c1 ZINC000065467861 373875726 /nfs/dbraw/zinc/87/57/26/373875726.db2.gz WFTROMNTFVDCRC-JTQLQIEISA-N -1 0 291.347 2.517 50 0 CFAARM O=C([O-])c1cc(O)cc(-c2cccc(-n3cccn3)c2)c1 ZINC000067879016 374012633 /nfs/dbraw/zinc/01/26/33/374012633.db2.gz WHEGHECFFJVUAO-UHFFFAOYSA-N -1 0 280.283 2.943 50 0 CFAARM CO[N-]C(=O)C(C)(C)c1cccc(C(F)(F)F)c1 ZINC000069537547 374073110 /nfs/dbraw/zinc/07/31/10/374073110.db2.gz WGLXNIQYIKDPSC-UHFFFAOYSA-N -1 0 261.243 2.661 50 0 CFAARM Nc1cc(F)ccc1-c1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000069982216 374115269 /nfs/dbraw/zinc/11/52/69/374115269.db2.gz VXZWMQNFSLFBLO-UHFFFAOYSA-N -1 0 282.278 2.633 50 0 CFAARM CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000070271334 374159909 /nfs/dbraw/zinc/15/99/09/374159909.db2.gz VTEXMCRGRMAARS-NOZJJQNGSA-N -1 0 299.729 2.862 50 0 CFAARM Cc1nc(-c2nccc(-c3cc(C(=O)[O-])ccn3)n2)cs1 ZINC000071754501 374222361 /nfs/dbraw/zinc/22/23/61/374222361.db2.gz ONUJBPQPGCWLQN-UHFFFAOYSA-N -1 0 298.327 2.669 50 0 CFAARM Cc1nn(-c2ccccc2)c(C(F)F)c1C(=O)[O-] ZINC000072295226 374241450 /nfs/dbraw/zinc/24/14/50/374241450.db2.gz QXZKLXFLHWLUHZ-UHFFFAOYSA-N -1 0 252.220 2.817 50 0 CFAARM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)cc1 ZINC000075110142 374458327 /nfs/dbraw/zinc/45/83/27/374458327.db2.gz ZJMUSSKARVLDDE-UHFFFAOYSA-N -1 0 279.365 2.642 50 0 CFAARM Cc1ccc(-c2noc(-c3ccc([O-])c(Cl)c3)n2)nn1 ZINC000082146831 374728337 /nfs/dbraw/zinc/72/83/37/374728337.db2.gz GGLJMLLLGCRDCM-UHFFFAOYSA-N -1 0 288.694 2.861 50 0 CFAARM Cc1ccc(C(=O)Nc2cccc(CC(=O)[O-])c2)s1 ZINC000087844781 374833201 /nfs/dbraw/zinc/83/32/01/374833201.db2.gz HRCFXZSWIIOFGX-UHFFFAOYSA-N -1 0 275.329 2.936 50 0 CFAARM O=C([N-]O[C@@H]1CCCCO1)C1(c2ccc(Cl)cc2)CC1 ZINC000084393115 374775667 /nfs/dbraw/zinc/77/56/67/374775667.db2.gz HTRFJSLKDNTKHH-CYBMUJFWSA-N -1 0 295.766 2.946 50 0 CFAARM CC[C@H](C)[C@@H](NC(=O)[C@@H](C)Cc1cccs1)C(=O)[O-] ZINC000089942181 374974570 /nfs/dbraw/zinc/97/45/70/374974570.db2.gz CBTAMPDRAMMCGA-JBLDHEPKSA-N -1 0 283.393 2.542 50 0 CFAARM Cc1nc(C)c(C(=O)N[C@@H]2CCCCC[C@H]2C(=O)[O-])s1 ZINC000094743386 375376392 /nfs/dbraw/zinc/37/63/92/375376392.db2.gz HNLXFUCBHKOFCI-GHMZBOCLSA-N -1 0 296.392 2.523 50 0 CFAARM COc1ccc(C(=O)C=C([O-])c2ccccc2)c(O)c1 ZINC000095092835 375413474 /nfs/dbraw/zinc/41/34/74/375413474.db2.gz JZKDEMPGCWWFCP-UHFFFAOYSA-N -1 0 270.284 2.857 50 0 CFAARM COc1ccc(O)cc1[C@@H](C(=O)[O-])c1ccccc1 ZINC000095115806 375416251 /nfs/dbraw/zinc/41/62/51/375416251.db2.gz ZRWIWDLQFWOCSY-AWEZNQCLSA-N -1 0 258.273 2.617 50 0 CFAARM Cc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1C(=O)[O-] ZINC000095389606 375429109 /nfs/dbraw/zinc/42/91/09/375429109.db2.gz VJGHPAPUTZVNIL-UHFFFAOYSA-N -1 0 278.695 2.927 50 0 CFAARM CCC[C@@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccccc1 ZINC000095425577 375442828 /nfs/dbraw/zinc/44/28/28/375442828.db2.gz FVEHTGKQFIIXHO-RHSMWYFYSA-N -1 0 289.375 2.894 50 0 CFAARM O=C([O-])[C@@H]1CCCC[C@H]1NC(=O)CCc1cccc(F)c1 ZINC000095424929 375442891 /nfs/dbraw/zinc/44/28/91/375442891.db2.gz YDLZSVVXVSSPOG-ZIAGYGMSSA-N -1 0 293.338 2.518 50 0 CFAARM Cc1ccc([C@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2C(=O)[O-])s1 ZINC000097050047 375504553 /nfs/dbraw/zinc/50/45/53/375504553.db2.gz YFKSMUUCDSMQOV-SDDRHHMPSA-N -1 0 293.388 2.626 50 0 CFAARM CC(=O)c1ccc(F)cc1[N-]S(=O)(=O)c1cccs1 ZINC000097085415 375511969 /nfs/dbraw/zinc/51/19/69/375511969.db2.gz LLUPTDGRXYVGOP-UHFFFAOYSA-N -1 0 299.348 2.891 50 0 CFAARM CCC(CC)[C@@H]1CCN(C(=O)c2cc(C(=O)[O-])co2)C1 ZINC000097115273 375525207 /nfs/dbraw/zinc/52/52/07/375525207.db2.gz UCPNGMYJHOPOKJ-LLVKDONJSA-N -1 0 279.336 2.876 50 0 CFAARM COc1ccc(N(C)C(=O)c2ncccc2[O-])cc1Cl ZINC000097377918 375555670 /nfs/dbraw/zinc/55/56/70/375555670.db2.gz XECYSPLJELFCDU-UHFFFAOYSA-N -1 0 292.722 2.726 50 0 CFAARM COc1ccc(-c2cc(=O)n(-c3ccccn3)[n-]2)cc1 ZINC000100139161 375614061 /nfs/dbraw/zinc/61/40/61/375614061.db2.gz AQTAEOLQPCGGCC-UHFFFAOYSA-N -1 0 267.288 2.649 50 0 CFAARM O=c1cc([O-])c2ccccc2n1Cc1ccccc1F ZINC000100172176 375614286 /nfs/dbraw/zinc/61/42/86/375614286.db2.gz AOPFLEHHPJSBPC-UHFFFAOYSA-N -1 0 269.275 2.895 50 0 CFAARM CCCCn1c2ccccc2c([O-])c(C(C)=O)c1=O ZINC000100294338 375617971 /nfs/dbraw/zinc/61/79/71/375617971.db2.gz LRWTVVXLKGMEIC-UHFFFAOYSA-N -1 0 259.305 2.710 50 0 CFAARM O=C(C=C([O-])c1ccc2c(c1)OCCO2)c1ccccc1 ZINC000100577290 375625264 /nfs/dbraw/zinc/62/52/64/375625264.db2.gz SNEIZUXDRBBVKM-UHFFFAOYSA-N -1 0 282.295 2.914 50 0 CFAARM CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000111473257 375851816 /nfs/dbraw/zinc/85/18/16/375851816.db2.gz JPTALXSWMFNRGR-NEPJUHHUSA-N -1 0 293.338 2.675 50 0 CFAARM O=C([O-])[C@@H](O)c1cc(Cl)c(OC(F)F)cc1Cl ZINC000263624850 190071118 /nfs/dbraw/zinc/07/11/18/190071118.db2.gz URRLMSFWKFDJNJ-ZETCQYMHSA-N -1 0 287.045 2.713 50 0 CFAARM O=C([O-])[C@H]1CS[C@H](c2c(Cl)cccc2Cl)N1 ZINC000000174289 304202385 /nfs/dbraw/zinc/20/23/85/304202385.db2.gz NSMGNWGVBQYUAB-VXNVDRBHSA-N -1 0 278.160 2.782 50 0 CFAARM C[C@@H]1CN(C(=O)C2(C(=O)[O-])CC2)CC[C@H]1c1ccccc1 ZINC000154931860 378603212 /nfs/dbraw/zinc/60/32/12/378603212.db2.gz UCMROHZYIYSEMK-TZMCWYRMSA-N -1 0 287.359 2.503 50 0 CFAARM Cc1cccc(C(=O)N2CCC(C(=O)[O-])CC2)c1Cl ZINC000162695085 378926189 /nfs/dbraw/zinc/92/61/89/378926189.db2.gz UICPUWIZDSPSNO-UHFFFAOYSA-N -1 0 281.739 2.585 50 0 CFAARM Cc1nc(C)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)o1 ZINC000163659521 378984315 /nfs/dbraw/zinc/98/43/15/378984315.db2.gz MNTLZEQHDJMBPF-UHFFFAOYSA-N -1 0 289.316 2.974 50 0 CFAARM S=c1[n-]c2cc(I)ccc2o1 ZINC000169620355 379107640 /nfs/dbraw/zinc/10/76/40/379107640.db2.gz CJLBHXVGZNNSMI-UHFFFAOYSA-N -1 0 277.086 2.721 50 0 CFAARM O=C([O-])c1cc(-c2cccs2)nc2c(Cl)cnn21 ZINC000020615732 304219801 /nfs/dbraw/zinc/21/98/01/304219801.db2.gz ABXMVFHWVFTPFI-UHFFFAOYSA-N -1 0 279.708 2.809 50 0 CFAARM O=C([O-])c1cc(N2C(=S)N=NC2C2CC2)ccc1Cl ZINC000020719641 304219992 /nfs/dbraw/zinc/21/99/92/304219992.db2.gz IAKNVAOHAJMEPF-UHFFFAOYSA-N -1 0 295.751 2.785 50 0 CFAARM O=C([O-])c1cc(Br)nc(C(F)(F)F)c1 ZINC000095611733 304221545 /nfs/dbraw/zinc/22/15/45/304221545.db2.gz XCJIWWDGFHDIBG-UHFFFAOYSA-N -1 0 270.004 2.561 50 0 CFAARM COc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1 ZINC000000143992 169552827 /nfs/dbraw/zinc/55/28/27/169552827.db2.gz UIUCGMLLTRXRBF-UHFFFAOYSA-N -1 0 256.257 2.624 50 0 endogenous,in-man CFAARM Cc1nc(=NCc2ccc3c(c2)nc(C)n3C2CC2)s[n-]1 ZINC000408524796 380939843 /nfs/dbraw/zinc/93/98/43/380939843.db2.gz ZHHDYWMIJQGQOA-UHFFFAOYSA-N -1 0 299.403 2.874 50 0 CFAARM O=C([O-])c1cc2c(cc(Br)cc2F)[nH]1 ZINC000003748673 304228669 /nfs/dbraw/zinc/22/86/69/304228669.db2.gz XNKKISMQGBBMKM-UHFFFAOYSA-N -1 0 258.046 2.768 50 0 CFAARM O=C([O-])c1ccc(-c2ccc(Br)cc2)[nH]c1=O ZINC000038478120 304230257 /nfs/dbraw/zinc/23/02/57/304230257.db2.gz LZQUMPLKIIOYFV-UHFFFAOYSA-N -1 0 294.104 2.503 50 0 CFAARM COCc1c(C(=O)[O-])c(=O)cc(C)n1CC1CCCCC1 ZINC000299758340 382041499 /nfs/dbraw/zinc/04/14/99/382041499.db2.gz OSDQONAZDZIDAI-UHFFFAOYSA-N -1 0 293.363 2.582 50 0 CFAARM Cc1ccc([C@@]2(C(=O)NC(C)(C)C(=O)[O-])CC2(C)C)cc1 ZINC000299793652 382047859 /nfs/dbraw/zinc/04/78/59/382047859.db2.gz IBENOPXQIFADSO-QGZVFWFLSA-N -1 0 289.375 2.642 50 0 CFAARM Cc1ccc(S(=O)(=O)[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000000392679 169628169 /nfs/dbraw/zinc/62/81/69/169628169.db2.gz BQCCZVLCOKHIFM-AWEZNQCLSA-N -1 0 290.340 2.595 50 0 CFAARM 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285.328 2.898 50 0 CFAARM O=C([O-])c1ccc(C(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)s1 ZINC000262702546 304238388 /nfs/dbraw/zinc/23/83/88/304238388.db2.gz AYZZDTQURFYIIF-ZLKJLUDKSA-N -1 0 299.351 2.514 50 0 CFAARM C/C=C(\C)C(=O)N(CC(=O)[O-])Cc1ccccc1Cl ZINC000221732529 382799168 /nfs/dbraw/zinc/79/91/68/382799168.db2.gz SRPAFXGKXQOGEG-XCVCLJGOSA-N -1 0 281.739 2.719 50 0 CFAARM C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000221733566 382799233 /nfs/dbraw/zinc/79/92/33/382799233.db2.gz JKLONWCBRRYARS-VHYLPNJESA-N -1 0 291.322 2.599 50 0 CFAARM Cc1ncc(/C=C\C(=O)Nc2cccc(C(=O)[O-])c2)s1 ZINC000221914913 382799779 /nfs/dbraw/zinc/79/97/79/382799779.db2.gz KFLZGVROIVZZOU-WAYWQWQTSA-N -1 0 288.328 2.802 50 0 CFAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C/c2cc3ccccc3o2)C1 ZINC000238074418 382977389 /nfs/dbraw/zinc/97/73/89/382977389.db2.gz FPRLMLVDXNQIPM-GWJCSSMESA-N -1 0 299.326 2.769 50 0 CFAARM Cc1ccc(C(C)(C)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000237632092 382967318 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170355219 /nfs/dbraw/zinc/35/52/19/170355219.db2.gz DSRNNCOMWBGSEB-UHFFFAOYSA-N -1 0 273.292 2.631 50 0 CFAARM Cc1ccc(C[C@@H]2SC(=O)[N-]C2=O)cc1Cl ZINC000009109307 170363499 /nfs/dbraw/zinc/36/34/99/170363499.db2.gz OVBNKQLNCNMICZ-VIFPVBQESA-N -1 0 255.726 2.543 50 0 CFAARM COC(=O)N=c1[n-]nc(C=Cc2ccccc2)s1 ZINC000009286983 170370099 /nfs/dbraw/zinc/37/00/99/170370099.db2.gz APSVSSUNSQDMHX-BQYQJAHWSA-N -1 0 261.306 2.887 50 0 aggregator CFAARM CSc1ccccc1[N-]S(=O)(=O)c1c(C)n[nH]c1C ZINC000009378606 170374920 /nfs/dbraw/zinc/37/49/20/170374920.db2.gz HHIVYSGYSLKBNC-UHFFFAOYSA-N -1 0 297.405 2.549 50 0 CFAARM CCn1cc(NCc2ccccc2Cl)c(C(=O)[O-])n1 ZINC000012395602 170484247 /nfs/dbraw/zinc/48/42/47/170484247.db2.gz FUSIGCWCTLYXAM-UHFFFAOYSA-N -1 0 279.727 2.867 50 0 CFAARM C/C(=C\C(=O)[O-])C(=O)Nc1cccc(Cl)c1C ZINC000013115343 170532697 /nfs/dbraw/zinc/53/26/97/170532697.db2.gz MTKGXHOQPLGRTQ-VOTSOKGWSA-N -1 0 253.685 2.618 50 0 CFAARM CC[C@@H](C)SC1=NC(=O)C(Cc2ccccc2)C([O-])=N1 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ZINC000022162799 171364625 /nfs/dbraw/zinc/36/46/25/171364625.db2.gz ZGKSEYKEPXUKJZ-SECBINFHSA-N -1 0 262.334 2.597 50 0 CFAARM CC(=O)Nc1ccccc1OCc1ccc(C(=O)[O-])o1 ZINC000022162749 171364761 /nfs/dbraw/zinc/36/47/61/171364761.db2.gz RFBGHONWHBFNCA-UHFFFAOYSA-N -1 0 275.260 2.515 50 0 CFAARM Cc1cccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1C ZINC000022176398 171371032 /nfs/dbraw/zinc/37/10/32/171371032.db2.gz SJXJUXQBUAIPMA-MRXNPFEDSA-N -1 0 297.354 2.729 50 0 CFAARM O=C([O-])[C@@H]1CCCN1Cc1coc(-c2ccc(F)cc2)n1 ZINC000035302992 172117679 /nfs/dbraw/zinc/11/76/79/172117679.db2.gz HOUGEWKQHJRROY-ZDUSSCGKSA-N -1 0 290.294 2.530 50 0 CFAARM CCC[C@](C)(NC(=O)c1cn(C)c2ccccc12)C(=O)[O-] ZINC000036339175 172623298 /nfs/dbraw/zinc/62/32/98/172623298.db2.gz MOASSRBYRGXCJM-INIZCTEOSA-N -1 0 288.347 2.552 50 0 CFAARM Cc1oc(C)c(C(=O)NCCCCCCC(=O)[O-])c1C ZINC000037453657 173219061 /nfs/dbraw/zinc/21/90/61/173219061.db2.gz NCGYKBKOZFJSKN-UHFFFAOYSA-N -1 0 281.352 2.970 50 0 CFAARM COc1cc(OC)c(C(=O)[O-])cc1NC(=O)OC(C)(C)C ZINC000039959759 174179627 /nfs/dbraw/zinc/17/96/27/174179627.db2.gz BPGFLVCLNXDUQV-UHFFFAOYSA-N -1 0 297.307 2.749 50 0 CFAARM C[C@H](O)C[C@@H](Sc1ccc2ccccc2n1)C(=O)[O-] ZINC000040051461 174185219 /nfs/dbraw/zinc/18/52/19/174185219.db2.gz XMHBBOIBJYRQDN-JOYOIKCWSA-N -1 0 277.345 2.551 50 0 CFAARM CCn1c(-c2ccccc2)nc2cc(C(=O)[O-])cnc21 ZINC000040449318 174265558 /nfs/dbraw/zinc/26/55/58/174265558.db2.gz BIBHYNBMPARFMI-UHFFFAOYSA-N -1 0 267.288 2.816 50 0 CFAARM O=C([O-])CC[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 ZINC000043583685 175070412 /nfs/dbraw/zinc/07/04/12/175070412.db2.gz SJHYQKGWCMUCRL-TUPIDYKKSA-N -1 0 287.359 2.803 50 0 CFAARM Cc1ccccc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000043589637 175073530 /nfs/dbraw/zinc/07/35/30/175073530.db2.gz IQXIHWLNZLJWOK-ZDUSSCGKSA-N -1 0 275.348 2.712 50 0 CFAARM CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000045922882 175386977 /nfs/dbraw/zinc/38/69/77/175386977.db2.gz WGFJKHPNEIGTKC-ZWNOBZJWSA-N -1 0 281.739 2.723 50 0 CFAARM CC(C)N1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000045922892 175386996 /nfs/dbraw/zinc/38/69/96/175386996.db2.gz WGFJKHPNEIGTKC-GWCFXTLKSA-N -1 0 281.739 2.723 50 0 CFAARM COc1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1 ZINC000071376180 176141100 /nfs/dbraw/zinc/14/11/00/176141100.db2.gz IWRKBQOLMYAXHA-UHFFFAOYSA-N -1 0 285.299 2.575 50 0 CFAARM CC(C)=CC(=O)N(Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000071733695 176257406 /nfs/dbraw/zinc/25/74/06/176257406.db2.gz UZBJNYQRLPIKAE-ZDUSSCGKSA-N -1 0 275.348 2.702 50 0 CFAARM O=C([O-])c1nn(Cc2ccc(Cl)cc2)cc1Cl ZINC000072115356 176318467 /nfs/dbraw/zinc/31/84/67/176318467.db2.gz IRSIWQKREITMLK-UHFFFAOYSA-N -1 0 271.103 2.936 50 0 CFAARM Cc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)nc1 ZINC000072120010 176319431 /nfs/dbraw/zinc/31/94/31/176319431.db2.gz MLENHBRKEROBDL-UHFFFAOYSA-N -1 0 282.752 2.844 50 0 CFAARM C[C@@H](CC(=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000072208424 176342860 /nfs/dbraw/zinc/34/28/60/176342860.db2.gz IZEJZUPKBMBXQV-WDEREUQCSA-N -1 0 271.357 2.744 50 0 CFAARM Cc1cc(S(=O)(=O)[N-]c2nccs2)ccc1Cl ZINC000072414550 176398869 /nfs/dbraw/zinc/39/88/69/176398869.db2.gz PZBPLFSQOMXUCR-UHFFFAOYSA-N -1 0 288.781 2.906 50 0 CFAARM Cc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1F ZINC000001078433 261195261 /nfs/dbraw/zinc/19/52/61/261195261.db2.gz PZYKBQWTAOQDBN-NWDGAFQWSA-N -1 0 279.311 2.964 50 0 CFAARM CCCCCc1c(O)n(-c2ccccc2)c(=S)[n-]c1=O ZINC000002689943 276228206 /nfs/dbraw/zinc/22/82/06/276228206.db2.gz NWTWBEVPRBMORK-GFCCVEGCSA-N -1 0 290.388 2.631 50 0 CFAARM CC(=O)Nc1cc(Cl)c(Br)cc1C(=O)[O-] ZINC000252496673 278185296 /nfs/dbraw/zinc/18/52/96/278185296.db2.gz POJZZNWSLUFDGG-UHFFFAOYSA-N -1 0 292.516 2.759 50 0 CFAARM CC(=O)Nc1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000000038719 278200240 /nfs/dbraw/zinc/20/02/40/278200240.db2.gz IAJHYWAWKCNHQX-UHFFFAOYSA-N -1 0 298.298 2.596 50 0 CFAARM CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1ccco1)C(=O)[O-] ZINC000004241266 278392610 /nfs/dbraw/zinc/39/26/10/278392610.db2.gz QANFHNJFIHFCFK-OAHLLOKOSA-N -1 0 295.335 2.676 50 0 CFAARM C[C@@H]1CCc2c(sc3[n-]c(=S)n(C)c(=O)c23)C1 ZINC000005687066 278619838 /nfs/dbraw/zinc/61/98/38/278619838.db2.gz BFMZVAGSDKNEJI-ZCFIWIBFSA-N -1 0 266.391 2.782 50 0 CFAARM CC1([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)CC1 ZINC000000377218 281608535 /nfs/dbraw/zinc/60/85/35/281608535.db2.gz NNCJNZLSIUWYRF-YUMQZZPRSA-N -1 0 289.257 2.669 50 0 CFAARM CC1CCN(C(=O)C[C@H](CC(=O)[O-])c2ccccc2)CC1 ZINC000057601378 281787867 /nfs/dbraw/zinc/78/78/67/281787867.db2.gz TWZRBTQBAMGBQJ-OAHLLOKOSA-N -1 0 289.375 2.894 50 0 CFAARM CN(C)C(=O)c1ccccc1-c1ccccc1C(=O)[O-] ZINC000003681399 289034014 /nfs/dbraw/zinc/03/40/14/289034014.db2.gz WSCCCPKIORINRC-UHFFFAOYSA-N -1 0 269.300 2.754 50 0 CFAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl ZINC000262250991 298208602 /nfs/dbraw/zinc/20/86/02/298208602.db2.gz ZIMCLVPMNCMLFK-HRDYMLBCSA-N -1 0 299.729 2.514 50 0 CFAARM Cc1cc(C)n(-c2ccccc2Cl)c(=O)c1C(=O)[O-] ZINC000000033652 301235051 /nfs/dbraw/zinc/23/50/51/301235051.db2.gz FAGBDUAURZMPTI-UHFFFAOYSA-N -1 0 277.707 2.806 50 0 CFAARM Cc1ccc(Cn2c(=O)oc3ccc(C(=O)[O-])cc32)cc1 ZINC000015775056 301602254 /nfs/dbraw/zinc/60/22/54/301602254.db2.gz FGLHTHHCXRZYAZ-UHFFFAOYSA-N -1 0 283.283 2.649 50 0 CFAARM Cc1ccccc1-c1noc2ncc(C(=O)[O-])cc21 ZINC000071383287 302074552 /nfs/dbraw/zinc/07/45/52/302074552.db2.gz JIUDUNZWOYVAPJ-UHFFFAOYSA-N -1 0 254.245 2.896 50 0 CFAARM Cc1nc(N(C)C)nc(-c2cccc(C(=O)[O-])c2)c1C ZINC000067676389 302596744 /nfs/dbraw/zinc/59/67/44/302596744.db2.gz WYIJDOMLNCEFCC-UHFFFAOYSA-N -1 0 271.320 2.525 50 0 CFAARM Cc1nc2sc3c(c2c(N[C@@H](C)C(=O)[O-])n1)CCCC3 ZINC000000506318 302687081 /nfs/dbraw/zinc/68/70/81/302687081.db2.gz WMUQBVOFZLFGNV-ZETCQYMHSA-N -1 0 291.376 2.764 50 0 CFAARM Cn1nc(-c2ccccc2Br)cc1C(=O)[O-] ZINC000026420218 303040256 /nfs/dbraw/zinc/04/02/56/303040256.db2.gz FMUKXDUXFAKRQV-UHFFFAOYSA-N -1 0 281.109 2.548 50 0 CFAARM O=c1c2ccc([O-])cc2occ1-c1ccc2c(c1)OCCO2 ZINC000005731262 304816350 /nfs/dbraw/zinc/81/63/50/304816350.db2.gz XEDARFHSGXIIIZ-UHFFFAOYSA-N -1 0 296.278 2.937 50 0 CFAARM O=c1cc(C(F)(F)F)[n-]n1-c1ccc(Cl)cn1 ZINC000100127713 304844668 /nfs/dbraw/zinc/84/46/68/304844668.db2.gz XNRNAJDRDSBXLL-UHFFFAOYSA-N -1 0 263.606 2.645 50 0 CFAARM COc1cc(C)cc(OC)c1-c1cnn([C@H](C)C(=O)[O-])c1 ZINC000534577636 328310463 /nfs/dbraw/zinc/31/04/63/328310463.db2.gz ZRBYFFOQFWNSNV-SNVBAGLBSA-N -1 0 290.319 2.521 50 0 CFAARM CC(C)Oc1ccc(-c2cnn([C@H](C)C(=O)[O-])c2)cc1 ZINC000534590936 328318089 /nfs/dbraw/zinc/31/80/89/328318089.db2.gz HODYPFCSEHJRSI-LLVKDONJSA-N -1 0 274.320 2.983 50 0 CFAARM Cn1cc(-c2cccc(-c3ccnn3C)c2)cc1C(=O)[O-] ZINC000534645401 328330510 /nfs/dbraw/zinc/33/05/10/328330510.db2.gz NOJWGKYRSQSLQM-UHFFFAOYSA-N -1 0 281.315 2.791 50 0 CFAARM O=C([O-])CCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000195529643 324108498 /nfs/dbraw/zinc/10/84/98/324108498.db2.gz SPEVSSMMXKPXRJ-VXGBXAGGSA-N -1 0 295.766 2.815 50 0 CFAARM CC[C@@H]1CCCN(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000061826423 523233386 /nfs/dbraw/zinc/23/33/86/523233386.db2.gz IOIBUJXRQJDGAV-LLVKDONJSA-N -1 0 255.358 2.526 50 0 CFAARM CCc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)cc1 ZINC000263491366 523888736 /nfs/dbraw/zinc/88/87/36/523888736.db2.gz IQHZJLTXYCSFOU-SMDDNHRTSA-N -1 0 275.348 2.574 50 0 CFAARM Cc1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)n1C ZINC000157810746 526225548 /nfs/dbraw/zinc/22/55/48/526225548.db2.gz HDAJDRDOXYYIRR-UHFFFAOYSA-N -1 0 286.331 2.603 50 0 CFAARM C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NCCC(=O)[O-] ZINC000263119471 597216541 /nfs/dbraw/zinc/21/65/41/597216541.db2.gz XXIWKDJGPGBLNB-LBPRGKRZSA-N -1 0 292.379 2.517 50 0 CFAARM Cc1c(-c2cc(C(=O)[O-])ccc2Cl)cnn1C ZINC000235835252 618447427 /nfs/dbraw/zinc/44/74/27/618447427.db2.gz LTSOJBVMQNHFMY-UHFFFAOYSA-N -1 0 250.685 2.747 50 0 CFAARM O=C([O-])/C=C\c1ccc(OC(F)F)cc1OC(F)F ZINC000033573499 624452201 /nfs/dbraw/zinc/45/22/01/624452201.db2.gz GLLUHHMRAQTLGH-RQOWECAXSA-N -1 0 280.173 2.987 50 0 CFAARM C[C@H]1CCC[C@@]1(NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000086678901 650796176 /nfs/dbraw/zinc/79/61/76/650796176.db2.gz JSJFHZPSIOJTPE-NHYWBVRUSA-N -1 0 277.320 2.556 50 0 CFAARM Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1C ZINC000263472573 778229116 /nfs/dbraw/zinc/22/91/16/778229116.db2.gz DUINYIPOOZLHIO-TZMCWYRMSA-N -1 0 275.348 2.629 50 0 CFAARM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2F)no1 ZINC000096448162 230375155 /nfs/dbraw/zinc/37/51/55/230375155.db2.gz MFRXYIYJXGHYJY-UHFFFAOYSA-N -1 0 290.703 2.576 50 0 CFAARM CSc1ccc([N-]S(=O)(=O)c2cccs2)nc1 ZINC000098010291 230389745 /nfs/dbraw/zinc/38/97/45/230389745.db2.gz FJPUJQVLXBCUHT-UHFFFAOYSA-N -1 0 286.403 2.666 50 0 CFAARM CCC(CC)(CNC(=O)Cc1ccc(C)cc1)C(=O)[O-] ZINC000097020655 282088884 /nfs/dbraw/zinc/08/88/84/282088884.db2.gz UDCJHTYRXKMESQ-UHFFFAOYSA-N -1 0 277.364 2.545 50 0 CFAARM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000095965560 185045650 /nfs/dbraw/zinc/04/56/50/185045650.db2.gz 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279.723 2.946 50 0 CFAARM O=Cc1ccc(O[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000003884068 371823006 /nfs/dbraw/zinc/82/30/06/371823006.db2.gz KFWOTZCJKPDGPJ-AWEZNQCLSA-N -1 0 256.257 2.704 50 0 CFAARM O=C([O-])c1cccc(COCC(F)(F)C(F)F)c1 ZINC000004278515 371845437 /nfs/dbraw/zinc/84/54/37/371845437.db2.gz UJRKOQZRAZJBIT-UHFFFAOYSA-N -1 0 266.190 2.802 50 0 CFAARM CCc1cc(=O)oc2cc(O[C@H](C)C(=O)[O-])c(Cl)cc12 ZINC000004325833 371851641 /nfs/dbraw/zinc/85/16/41/371851641.db2.gz WSENSGWXVHWIOS-SSDOTTSWSA-N -1 0 296.706 2.861 50 0 CFAARM C/C(=C/C(=O)[O-])C(=O)Nc1nc(-c2cccs2)cs1 ZINC000004393821 371854425 /nfs/dbraw/zinc/85/44/25/371854425.db2.gz CZFXDWXCICVQTH-ALCCZGGFSA-N -1 0 294.357 2.841 50 0 CFAARM CC(C)C(=O)Nc1ccc(Br)cc1C(=O)[O-] ZINC000004506877 371860268 /nfs/dbraw/zinc/86/02/68/371860268.db2.gz VABAKXPWFBTGHI-UHFFFAOYSA-N -1 0 286.125 2.742 50 0 CFAARM C[C@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004614605 371868282 /nfs/dbraw/zinc/86/82/82/371868282.db2.gz 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/nfs/dbraw/zinc/50/05/23/545500523.db2.gz BHZAYWRDTBQIPW-TWGQIWQCSA-N -1 0 267.716 2.637 50 0 CFAARM CC(C)(C)OC(=O)N1C2CCC(CC2)[C@H]1CC(=O)[O-] ZINC000958528720 613970883 /nfs/dbraw/zinc/97/08/83/613970883.db2.gz SLFWUPRSLGCXNI-VQXHTEKXSA-N -1 0 269.341 2.639 50 0 CFAARM O=C([O-])c1ncn2c1CO[C@H](c1ccccc1Cl)C2 ZINC000888088179 619055092 /nfs/dbraw/zinc/05/50/92/619055092.db2.gz PJTIWDPFFHTPLQ-NSHDSACASA-N -1 0 278.695 2.506 50 0 CFAARM Cc1nc(CN(C)Cc2ccc(C(=O)[O-])cc2)c(C)o1 ZINC000888097625 619132195 /nfs/dbraw/zinc/13/21/95/619132195.db2.gz VNWYXLNIDAAZLX-UHFFFAOYSA-N -1 0 274.320 2.622 50 0 CFAARM Cc1cc(O)c(C(=O)CCC(=O)[O-])cc1Br ZINC000950757149 650537708 /nfs/dbraw/zinc/53/77/08/650537708.db2.gz BEUDNWMQSBQIGW-UHFFFAOYSA-N -1 0 287.109 2.511 50 0 CFAARM C[C@@H]1CCC[C@]1(NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000086678895 650796192 /nfs/dbraw/zinc/79/61/92/650796192.db2.gz JSJFHZPSIOJTPE-IAQYHMDHSA-N -1 0 277.320 2.556 50 0 CFAARM C/C=C/C=C\C(=O)Nc1ccc(-n2ccc(C(=O)[O-])n2)cc1 ZINC000096129723 650985386 /nfs/dbraw/zinc/98/53/86/650985386.db2.gz GFLNFTXPUJRDCA-IAROGAJJSA-N -1 0 297.314 2.641 50 0 CFAARM CCC1(CC)C[C@H]1CNC(=O)c1cc(O)cc(C(=O)[O-])c1 ZINC000822677195 781908340 /nfs/dbraw/zinc/90/83/40/781908340.db2.gz RJOKPOJZJHWOBW-LBPRGKRZSA-N -1 0 291.347 2.647 50 0 CFAARM CCN(CC(C)(C)O)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000081984327 177912421 /nfs/dbraw/zinc/91/24/21/177912421.db2.gz CIBBGKAAEGRDMD-UHFFFAOYSA-N -1 0 294.376 2.723 50 0 CFAARM CCn1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000097017593 230386202 /nfs/dbraw/zinc/38/62/02/230386202.db2.gz HBLPFYGIXACQOZ-UHFFFAOYSA-N -1 0 293.710 2.507 50 0 CFAARM CC(C)(C)OC(=O)N=c1[nH]c2c(s1)CCC[C@H]2C(=O)[O-] ZINC000095628819 185017000 /nfs/dbraw/zinc/01/70/00/185017000.db2.gz QQAPPTIFMLODJN-SSDOTTSWSA-N -1 0 298.364 2.995 50 0 CFAARM Cc1cccc(CC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1 ZINC000095957880 185042950 /nfs/dbraw/zinc/04/29/50/185042950.db2.gz OCBRVNQVMYWHAT-UHFFFAOYSA-N -1 0 297.354 2.894 50 0 CFAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)CCc1ccsc1 ZINC000095970331 185048797 /nfs/dbraw/zinc/04/87/97/185048797.db2.gz QFNUWPWZJVRQDR-OLZOCXBDSA-N -1 0 295.404 2.830 50 0 CFAARM CCc1cc(C)c(C(=O)NCC(CC)(CC)C(=O)[O-])o1 ZINC000095989887 185057277 /nfs/dbraw/zinc/05/72/77/185057277.db2.gz AMCRJIDRVWLBHG-UHFFFAOYSA-N -1 0 281.352 2.771 50 0 CFAARM C[C@H](CC(=O)N[C@@](C)(C(=O)[O-])C1CC1)c1cccc(F)c1 ZINC000095989602 185057527 /nfs/dbraw/zinc/05/75/27/185057527.db2.gz LTLJBJWDAGHVOH-QLJPJBMISA-N -1 0 293.338 2.689 50 0 CFAARM O=C([O-])CCNC(=O)CCc1cccc(Cl)c1Cl ZINC000096999731 185150274 /nfs/dbraw/zinc/15/02/74/185150274.db2.gz QJCWVQMDEWYYMS-UHFFFAOYSA-N -1 0 290.146 2.517 50 0 CFAARM Cc1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cn1 ZINC000097018941 185153014 /nfs/dbraw/zinc/15/30/14/185153014.db2.gz HCWJNCXXHHGSHA-UHFFFAOYSA-N -1 0 284.315 2.660 50 0 CFAARM CCCc1onc(C)c1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000097035813 185166114 /nfs/dbraw/zinc/16/61/14/185166114.db2.gz YKRPWUVWIJARJN-UHFFFAOYSA-N -1 0 288.303 2.886 50 0 CFAARM C[C@@H](CC(=O)Nc1cc(C(=O)[O-])ccc1F)n1cccc1 ZINC000097036197 185166456 /nfs/dbraw/zinc/16/64/56/185166456.db2.gz NFMYBNNUPZZYCQ-JTQLQIEISA-N -1 0 290.294 2.915 50 0 CFAARM CCc1cc(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)n[nH]1 ZINC000097017592 529520695 /nfs/dbraw/zinc/52/06/95/529520695.db2.gz BBLPISKSLKIJNL-UHFFFAOYSA-N -1 0 293.710 2.576 50 0 CFAARM C[C@H](CC(=O)N[C@H]1CC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000097039414 185511050 /nfs/dbraw/zinc/51/10/50/185511050.db2.gz HNVAKADOONMUGD-XBFCOCLRSA-N -1 0 275.348 2.550 50 0 CFAARM Cc1cc(C)c(C(=O)NCc2cccc(C(=O)[O-])c2)o1 ZINC000097228676 185568047 /nfs/dbraw/zinc/56/80/47/185568047.db2.gz OYECXAGDOFXIAS-UHFFFAOYSA-N -1 0 273.288 2.525 50 0 CFAARM COC(=O)CC[C@@H]1Sc2ccccc2[N-]C1=S ZINC000005329304 346211320 /nfs/dbraw/zinc/21/13/20/346211320.db2.gz HTVJYZVFNBLMBB-JTQLQIEISA-N -1 0 267.375 2.853 50 0 CFAARM CC(C)c1cc(=O)n2[n-]cc(-c3ccccc3)c2n1 ZINC000012382888 346231331 /nfs/dbraw/zinc/23/13/31/346231331.db2.gz 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ZINC000002581020 304088944 /nfs/dbraw/zinc/08/89/44/304088944.db2.gz CEJOBMZMIWKZKB-UHFFFAOYSA-N -1 0 256.257 2.709 50 0 CFAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccccc3)[nH]2)C1 ZINC000178261513 189101203 /nfs/dbraw/zinc/10/12/03/189101203.db2.gz NDGAWKGETZOJRD-QGZVFWFLSA-N -1 0 298.342 2.619 50 0 CFAARM CC(C)c1cc(N(C)C[C@@H](C)C(=O)[O-])nc(C(C)C)n1 ZINC000263569194 541009049 /nfs/dbraw/zinc/00/90/49/541009049.db2.gz ZCSHAFXKRDVUTB-LLVKDONJSA-N -1 0 279.384 2.880 50 0 CFAARM Cc1cc(CC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)no1 ZINC000225484147 189754557 /nfs/dbraw/zinc/75/45/57/189754557.db2.gz JOXDITYVICMNAP-UHFFFAOYSA-N -1 0 294.694 2.516 50 0 CFAARM CCCn1c(=O)c2cc3c(cc2[n-]c1=S)OCCCO3 ZINC000007045037 284128017 /nfs/dbraw/zinc/12/80/17/284128017.db2.gz VPHAMEBRRWOCIW-UHFFFAOYSA-N -1 0 292.360 2.630 50 0 CFAARM Cc1csc(NC(=O)[C@@H]2CC[C@@](C)(C(=O)[O-])C2(C)C)n1 ZINC000000117698 371534188 /nfs/dbraw/zinc/53/41/88/371534188.db2.gz QXEVKNXQPXARIR-XPTSAGLGSA-N -1 0 296.392 2.917 50 0 CFAARM 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CCc1c(C(=O)[O-])nnn1-c1ccc(C(F)(F)F)cc1 ZINC000036927329 372612045 /nfs/dbraw/zinc/61/20/45/372612045.db2.gz GUYSLRHUZGXUGY-UHFFFAOYSA-N -1 0 285.225 2.547 50 0 CFAARM CC[C@@H](C)C(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC000037322795 372664840 /nfs/dbraw/zinc/66/48/40/372664840.db2.gz SVNWRBDOKXLMRM-SNVBAGLBSA-N -1 0 261.321 2.710 50 0 CFAARM CCc1nc2sc(C)cc2c(SCC(=O)[O-])n1 ZINC000041090715 372810998 /nfs/dbraw/zinc/81/09/98/372810998.db2.gz VATSEIMDEQJVLH-UHFFFAOYSA-N -1 0 268.363 2.739 50 0 CFAARM CC(C)(C)OC(=O)N[C@@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000041701907 372860226 /nfs/dbraw/zinc/86/02/26/372860226.db2.gz XCJDZYKLPCSUNZ-WDEREUQCSA-N -1 0 271.357 2.935 50 0 CFAARM COc1ccc(Cc2nc(=O)c3sccc3[n-]2)cc1F ZINC000048603533 373206366 /nfs/dbraw/zinc/20/63/66/373206366.db2.gz VIXRLQXVHYQRJC-UHFFFAOYSA-N -1 0 290.319 2.723 50 0 CFAARM COc1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000050921152 373383388 /nfs/dbraw/zinc/38/33/88/373383388.db2.gz LSIUEMXNLLTOEE-CYBMUJFWSA-N -1 0 291.347 2.555 50 0 CFAARM O=C([O-])C[C@H](O)c1ccc(OCc2ccccc2)cc1 ZINC000052249072 373442511 /nfs/dbraw/zinc/44/25/11/373442511.db2.gz GRQKGAXRDSGQRV-HNNXBMFYSA-N -1 0 272.300 2.774 50 0 CFAARM CC(C)[C@H]1CCc2nc3scc(CC(=O)[O-])n3c2C1 ZINC000054557227 373527410 /nfs/dbraw/zinc/52/74/10/373527410.db2.gz GVGGMQDWSWGLOW-VIFPVBQESA-N -1 0 278.377 2.784 50 0 CFAARM O=S(=O)([N-]c1nccs1)c1ccc(F)c(Cl)c1 ZINC000060486735 373697312 /nfs/dbraw/zinc/69/73/12/373697312.db2.gz GIAMBHZSNKWNPB-UHFFFAOYSA-N -1 0 292.744 2.736 50 0 CFAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)CC2CCCC2)C1 ZINC000062869531 373770174 /nfs/dbraw/zinc/77/01/74/373770174.db2.gz BALHSGGYHHZWLB-HNNXBMFYSA-N -1 0 267.369 2.670 50 0 CFAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000062117256 373750112 /nfs/dbraw/zinc/75/01/12/373750112.db2.gz CAUUAHPSMIRWQD-MRVPVSSYSA-N -1 0 288.130 2.540 50 0 CFAARM CCc1ccccc1-n1nnc(C(=O)[O-])c1-c1ccncc1 ZINC000062267574 373756887 /nfs/dbraw/zinc/75/68/87/373756887.db2.gz NDODAKWFUAIJPT-UHFFFAOYSA-N -1 0 294.314 2.590 50 0 CFAARM c1c(N=c2nc(C3CCCC3)[n-]s2)nn2c1CCCC2 ZINC000333848726 205766754 /nfs/dbraw/zinc/76/67/54/205766754.db2.gz MWMOGJSDCJAZNH-UHFFFAOYSA-N -1 0 289.408 2.894 50 0 CFAARM CCCCN(C)c1ccc(NC(=O)CC)c(C(=O)[O-])c1 ZINC000064588972 373832863 /nfs/dbraw/zinc/83/28/63/373832863.db2.gz UJBGQXNNCDRYAM-UHFFFAOYSA-N -1 0 278.352 2.970 50 0 CFAARM COc1cc(-c2cc(O)cc(F)c2)ccc1C(=O)[O-] ZINC000065350182 373856994 /nfs/dbraw/zinc/85/69/94/373856994.db2.gz ZLBPDTKPEWKXJZ-UHFFFAOYSA-N -1 0 262.236 2.905 50 0 CFAARM CC(C)(C)OC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000066054695 373909429 /nfs/dbraw/zinc/90/94/29/373909429.db2.gz ICZBQHPMSPTRJO-LLVKDONJSA-N -1 0 250.294 2.587 50 0 CFAARM Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c1 ZINC000068300340 374026211 /nfs/dbraw/zinc/02/62/11/374026211.db2.gz ZAYZLOMQYOBPIC-UHFFFAOYSA-N -1 0 282.752 2.844 50 0 CFAARM O=S(=O)([N-]c1ccc(F)cn1)c1ccc(Cl)s1 ZINC000069675646 374085284 /nfs/dbraw/zinc/08/52/84/374085284.db2.gz HBOFJFCIKPHNQY-UHFFFAOYSA-N -1 0 292.744 2.736 50 0 CFAARM Cc1ccc2c(CC(=O)NCCCCC(=O)[O-])coc2c1 ZINC000070198164 374146761 /nfs/dbraw/zinc/14/67/61/374146761.db2.gz RYHYLVQJUNCMRR-UHFFFAOYSA-N -1 0 289.331 2.655 50 0 CFAARM O=C(c1cc(=O)[nH][n-]1)N1CCCC[C@H]1c1ccc(F)cc1 ZINC000071736135 374218833 /nfs/dbraw/zinc/21/88/33/374218833.db2.gz ISQMDQUCOOWYTK-ZDUSSCGKSA-N -1 0 289.310 2.622 50 0 CFAARM O=C([O-])[C@@H]1CCCN1C(=O)/C=C\c1cc2ccccc2o1 ZINC000492198465 246217446 /nfs/dbraw/zinc/21/74/46/246217446.db2.gz MJPZNBAZZRZZLA-WSROAFLRSA-N -1 0 285.299 2.522 50 0 CFAARM Cc1noc(C)c1[N-]S(=O)(=O)c1ccccc1Cl ZINC000084025642 374760616 /nfs/dbraw/zinc/76/06/16/374760616.db2.gz PEPYMKIQXFLPBI-UHFFFAOYSA-N -1 0 286.740 2.746 50 0 CFAARM CCOc1ccc(C(=O)N(CC)C[C@H](C)C(=O)[O-])cc1C ZINC000089961064 374977002 /nfs/dbraw/zinc/97/70/02/374977002.db2.gz QBOFDZLGDNDJCW-LBPRGKRZSA-N -1 0 293.363 2.577 50 0 CFAARM Cc1n[nH]cc1[N-]S(=O)(=O)c1cccc(C(C)C)c1 ZINC000090231426 375005684 /nfs/dbraw/zinc/00/56/84/375005684.db2.gz MWLHSGNADNEUAS-UHFFFAOYSA-N -1 0 279.365 2.642 50 0 CFAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)Cc1ccc(F)cc1 ZINC000094743675 375375990 /nfs/dbraw/zinc/37/59/90/375375990.db2.gz DQYYBOFAIKYRPV-KGLIPLIRSA-N -1 0 293.338 2.518 50 0 CFAARM Cc1cc2cc(C(=O)N3CCCC[C@H]3C(=O)[O-])ccc2o1 ZINC000095524051 375460722 /nfs/dbraw/zinc/46/07/22/375460722.db2.gz YHQXWYAMHRHNKM-ZDUSSCGKSA-N -1 0 287.315 2.821 50 0 CFAARM Cc1cccc([C@H](C(=O)[O-])N(C)Cc2ccon2)c1C ZINC000095374911 375424992 /nfs/dbraw/zinc/42/49/92/375424992.db2.gz WRWWMWWQMWHBHS-CQSZACIVSA-N -1 0 274.320 2.549 50 0 CFAARM CC(C)c1noc(CN(C)[C@@H](/C=C/C(C)(C)C)C(=O)[O-])n1 ZINC000095382133 375427537 /nfs/dbraw/zinc/42/75/37/375427537.db2.gz OUEPPVITFRIISZ-AEZGRPFRSA-N -1 0 295.383 2.680 50 0 CFAARM O=C([O-])[C@@H](c1cc(F)cc(Cl)c1)N1CCSCC1 ZINC000095387076 375428927 /nfs/dbraw/zinc/42/89/27/375428927.db2.gz HCIJFGIUNKXFIV-LLVKDONJSA-N -1 0 289.759 2.654 50 0 CFAARM Cc1ccc(NC(=O)c2cccc(C#N)c2)cc1C(=O)[O-] ZINC000095389603 375428971 /nfs/dbraw/zinc/42/89/71/375428971.db2.gz ADOFAECUWUBWHR-UHFFFAOYSA-N -1 0 280.283 2.817 50 0 CFAARM O=Cc1c2ccccc2nc(C(F)(F)F)c1C(=O)[O-] ZINC000096171802 375473709 /nfs/dbraw/zinc/47/37/09/375473709.db2.gz SVNKPKIPSUZDGW-UHFFFAOYSA-N -1 0 269.178 2.764 50 0 CFAARM O=C([O-])/C=C\c1cnc(/C=C\c2cccnc2)s1 ZINC000098056263 375596722 /nfs/dbraw/zinc/59/67/22/375596722.db2.gz RANYNBGLJGXHTH-GLIMQPGKSA-N -1 0 258.302 2.806 50 0 CFAARM O=C(C=C([O-])c1ccc(F)cc1)C(F)(F)Cl ZINC000100497174 375623086 /nfs/dbraw/zinc/62/30/86/375623086.db2.gz JTKUEBGOWSPVNN-UHFFFAOYSA-N -1 0 250.603 2.799 50 0 CFAARM [O-]c1cc(I)c(F)cc1Cl ZINC000098210638 375610517 /nfs/dbraw/zinc/61/05/17/375610517.db2.gz UVAMUYYGGYKGKG-UHFFFAOYSA-N -1 0 272.444 2.789 50 0 CFAARM CN(Cc1ccccc1F)C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000111473264 375851381 /nfs/dbraw/zinc/85/13/81/375851381.db2.gz JPTALXSWMFNRGR-NWDGAFQWSA-N -1 0 293.338 2.675 50 0 CFAARM O=C([O-])c1ncc(C(F)(F)F)cc1OCC(F)(F)F ZINC000263624549 190071047 /nfs/dbraw/zinc/07/10/47/190071047.db2.gz RLMGQWQAQKNUGN-UHFFFAOYSA-N -1 0 289.131 2.740 50 0 CFAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(Cl)o2)c2ccccc21 ZINC000131932016 377779519 /nfs/dbraw/zinc/77/95/19/377779519.db2.gz VUTJXIWKJQVFJK-SECBINFHSA-N -1 0 291.690 2.762 50 0 CFAARM Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)s1 ZINC000131947767 377781460 /nfs/dbraw/zinc/78/14/60/377781460.db2.gz VYJKRYSQPYSOTH-LLVKDONJSA-N -1 0 287.340 2.885 50 0 CFAARM O=C([O-])[C@@H]1CN(C(=O)C[C@H]2C=CCC2)c2ccccc21 ZINC000131971245 377786597 /nfs/dbraw/zinc/78/65/97/377786597.db2.gz ZZJJXHRQWWQSFB-WCQYABFASA-N -1 0 271.316 2.558 50 0 CFAARM Cc1ccc(CC(=O)N2CCCC[C@H]2CC(=O)[O-])cc1C ZINC000050162287 542230914 /nfs/dbraw/zinc/23/09/14/542230914.db2.gz HEYHWMWPSCLJHT-HNNXBMFYSA-N -1 0 289.375 2.702 50 0 CFAARM Cc1cc(F)cc(C(=O)NC(C)(C)CCC(=O)[O-])c1 ZINC000135177392 378095314 /nfs/dbraw/zinc/09/53/14/378095314.db2.gz YKSYIAZARONZAG-UHFFFAOYSA-N -1 0 267.300 2.507 50 0 CFAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2cccc(Cl)c2)C1 ZINC000136138147 378182682 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ZINC000000442405 169641654 /nfs/dbraw/zinc/64/16/54/169641654.db2.gz LOJRHZKWIGIKBC-KGLIPLIRSA-N -1 0 273.332 2.855 50 0 CFAARM O=C([O-])CC1(NC(=O)c2cncc(Cl)c2)CCCCC1 ZINC000307849905 382471358 /nfs/dbraw/zinc/47/13/58/382471358.db2.gz BFIOQEGAHYELKT-UHFFFAOYSA-N -1 0 296.754 2.642 50 0 CFAARM CC(C)(C(=O)[O-])n1cc(NC(=O)CC2=CCCCC2)cn1 ZINC000192997603 382714441 /nfs/dbraw/zinc/71/44/41/382714441.db2.gz GOCFSCYEJPNPJH-UHFFFAOYSA-N -1 0 291.351 2.532 50 0 CFAARM Cc1cccc(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC000195529850 382768680 /nfs/dbraw/zinc/76/86/80/382768680.db2.gz MLMSPAIKWCZGAX-INIZCTEOSA-N -1 0 297.354 2.522 50 0 CFAARM CC[C@H](C)[C@H](NC(=O)[C@@H](C)c1cccc(F)c1)C(=O)[O-] ZINC000195541732 382769323 /nfs/dbraw/zinc/76/93/23/382769323.db2.gz STXAFUUTFOBTBT-KWBADKCTSA-N -1 0 281.327 2.545 50 0 CFAARM CC/C=C(\C)C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000213357118 382776957 /nfs/dbraw/zinc/77/69/57/382776957.db2.gz UPFKZTSIYRBFJZ-YRNVUSSQSA-N -1 0 253.342 2.637 50 0 CFAARM CC(C)(C)OC(=O)NCc1ccc(C(=O)[O-])c(F)c1F ZINC000222148274 382801193 /nfs/dbraw/zinc/80/11/93/382801193.db2.gz AOBBSSWVACHQGE-UHFFFAOYSA-N -1 0 287.262 2.688 50 0 CFAARM Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])c(C)n1C(C)C ZINC000225486072 382817247 /nfs/dbraw/zinc/81/72/47/382817247.db2.gz TZGGQIBYBZZJGS-CQSZACIVSA-N -1 0 292.379 2.765 50 0 CFAARM Cc1ncccc1NC(=O)C[C@@H](CC(=O)[O-])c1ccccc1 ZINC000226750280 382830952 /nfs/dbraw/zinc/83/09/52/382830952.db2.gz FISOXJJCSBVLQU-AWEZNQCLSA-N -1 0 298.342 2.977 50 0 CFAARM COc1cc(C(=O)[O-])ccc1OC(=O)c1ccc(C)cc1 ZINC000227146037 382834361 /nfs/dbraw/zinc/83/43/61/382834361.db2.gz BVKGFNKTYDOUHG-UHFFFAOYSA-N -1 0 286.283 2.921 50 0 CFAARM C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000239222058 296338217 /nfs/dbraw/zinc/33/82/17/296338217.db2.gz UHGDQZODMMRLAZ-VOAKCMCISA-N -1 0 267.369 2.572 50 0 CFAARM Cc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1CC(=O)[O-] ZINC000235743689 382887895 /nfs/dbraw/zinc/88/78/95/382887895.db2.gz KTYMFMOAUPPVEJ-LLVKDONJSA-N -1 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/nfs/dbraw/zinc/34/63/30/296346330.db2.gz XTHZDOCEIJAPLY-RNCFNFMXSA-N -1 0 257.330 2.545 50 0 CFAARM C[C@H]1CCC[C@H](C)N1N=Cc1ccccc1C(=O)[O-] ZINC000254614498 383469330 /nfs/dbraw/zinc/46/93/30/383469330.db2.gz JKDLWISMCYGBAF-RYUDHWBXSA-N -1 0 260.337 2.982 50 0 CFAARM Cc1ccc(/C(Cl)=C(/C=NO)CC(=O)[O-])cc1 ZINC000252624798 383422085 /nfs/dbraw/zinc/42/20/85/383422085.db2.gz PVKXCDXDGCUFDJ-DDUPTJANSA-N -1 0 253.685 2.880 50 0 CFAARM O=C([O-])c1ccc(Cl)cc1NC(=O)C(F)(F)F ZINC000003119242 304244764 /nfs/dbraw/zinc/24/47/64/304244764.db2.gz ZGZSLIZGVJSLCF-UHFFFAOYSA-N -1 0 267.590 2.539 50 0 CFAARM O=C([O-])c1ccc2nc(-c3ccc(F)cc3)cn2c1 ZINC000004024401 304254701 /nfs/dbraw/zinc/25/47/01/304254701.db2.gz NDWDOXBWVQISOA-UHFFFAOYSA-N -1 0 256.236 2.839 50 0 CFAARM O=c1nc(-c2ccc(O)cc2)[n-]c2c3cccnc3sc21 ZINC000098086459 285194216 /nfs/dbraw/zinc/19/42/16/285194216.db2.gz BJVGWLWYIQCVGP-UHFFFAOYSA-N -1 0 295.323 2.905 50 0 CFAARM O=C([O-])c1ccccc1Cc1nc2ccccc2[nH]1 ZINC000000087779 304269238 /nfs/dbraw/zinc/26/92/38/304269238.db2.gz IHANHHREEUHDHK-UHFFFAOYSA-N -1 0 252.273 2.852 50 0 CFAARM O=C([O-])c1ccn(-c2ncc(C(F)(F)F)cc2Cl)n1 ZINC000020353714 304273130 /nfs/dbraw/zinc/27/31/30/304273130.db2.gz NIAOTXQZLTYQNN-UHFFFAOYSA-N -1 0 291.616 2.638 50 0 CFAARM Cn1cc(/C=C(\CCC(=O)[O-])c2nc3ccccc3o2)cn1 ZINC000096307346 256773471 /nfs/dbraw/zinc/77/34/71/256773471.db2.gz SYUPPHDEUMNRSE-XYOKQWHBSA-N -1 0 297.314 2.967 50 0 CFAARM CC1(C(=O)N2CCc3[nH]c4c(cccc4C(=O)[O-])c3C2)CC1 ZINC000521394691 256855081 /nfs/dbraw/zinc/85/50/81/256855081.db2.gz BYZJSHXEGJISCZ-UHFFFAOYSA-N -1 0 298.342 2.551 50 0 CFAARM O=C([O-])c1cnc2ccccc2c1Br ZINC000085386624 304279137 /nfs/dbraw/zinc/27/91/37/304279137.db2.gz UJNDEXPHHAEYAU-UHFFFAOYSA-N -1 0 252.067 2.696 50 0 CFAARM O=C([O-])c1cnc2cc(Cl)cc(Cl)c2c1O ZINC000008648555 304279302 /nfs/dbraw/zinc/27/93/02/304279302.db2.gz DEBOCPZCSPMQBS-UHFFFAOYSA-N -1 0 258.060 2.945 50 0 CFAARM Cc1ccccc1CCNC(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000094186636 184760787 /nfs/dbraw/zinc/76/07/87/184760787.db2.gz ZBLZRSPMQWKKPM-HUUCEWRRSA-N -1 0 289.375 2.545 50 0 CFAARM CSc1cccc([C@@H](C(=O)[O-])N(C)Cc2ccon2)c1 ZINC000095370239 184955346 /nfs/dbraw/zinc/95/53/46/184955346.db2.gz CPLYEDAUPFVKEP-ZDUSSCGKSA-N -1 0 292.360 2.654 50 0 CFAARM CN(Cc1ccccn1)[C@H](C(=O)[O-])c1c(F)cccc1F ZINC000095390201 184964145 /nfs/dbraw/zinc/96/41/45/184964145.db2.gz MCNWWWUZJSMHDZ-AWEZNQCLSA-N -1 0 292.285 2.618 50 0 CFAARM O=C([O-])c1csc(-c2nc3ccc(O)cc3s2)n1 ZINC000013515254 304281941 /nfs/dbraw/zinc/28/19/41/304281941.db2.gz CYCGRDQQIOGCKX-UHFFFAOYSA-N -1 0 278.314 2.824 50 0 CFAARM O=C([O-])c1nc(C(F)(F)F)ccc1Br ZINC000238701252 304283134 /nfs/dbraw/zinc/28/31/34/304283134.db2.gz KKSLGROYWBGBMH-UHFFFAOYSA-N -1 0 270.004 2.561 50 0 CFAARM O=C([O-])c1nc(-n2cnc3ccccc32)ccc1Cl ZINC000019965705 304283076 /nfs/dbraw/zinc/28/30/76/304283076.db2.gz ASJHIOLVWADSEY-UHFFFAOYSA-N -1 0 273.679 2.772 50 0 CFAARM O=C([O-])c1nc2ccc(Br)cc2s1 ZINC000085225028 304283512 /nfs/dbraw/zinc/28/35/12/304283512.db2.gz AQBJCIGZRNFZBK-UHFFFAOYSA-N -1 0 258.096 2.757 50 0 CFAARM Cc1cccc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])c1C ZINC000262347794 131213671 /nfs/dbraw/zinc/21/36/71/131213671.db2.gz AVAFXCQQKGHJPJ-ZNMIVQPWSA-N -1 0 287.359 2.688 50 0 CFAARM Cc1ccc(Nc2nc(CN(C)CC(=O)[O-])cs2)cc1 ZINC000262662204 131248807 /nfs/dbraw/zinc/24/88/07/131248807.db2.gz ODVWKKBOTRJVLQ-UHFFFAOYSA-N -1 0 291.376 2.712 50 0 CFAARM CC(C)(C(=O)N1CC[C@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000269129660 132116758 /nfs/dbraw/zinc/11/67/58/132116758.db2.gz ANVDQRSKUOWDJG-JTQLQIEISA-N -1 0 295.766 2.551 50 0 CFAARM Cc1ccnc(S[C@@H](C(=O)[O-])c2ccccc2)n1 ZINC000000155575 393447659 /nfs/dbraw/zinc/44/76/59/393447659.db2.gz VUPJCTMSPPTLBN-LLVKDONJSA-N -1 0 260.318 2.703 50 0 CFAARM O=C([O-])c1cc2cnccc2nc1-c1ccccc1 ZINC000000153761 393448022 /nfs/dbraw/zinc/44/80/22/393448022.db2.gz JIFDGHZNEPJPIG-UHFFFAOYSA-N -1 0 250.257 2.995 50 0 CFAARM CC(C)Cc1nc2oc3c(ncnc3NN)c2c2c1CCC2 ZINC000002227137 393453112 /nfs/dbraw/zinc/45/31/12/393453112.db2.gz RWWSDPLLHARUIN-UHFFFAOYSA-N -1 0 297.362 2.744 50 0 CFAARM CC[C@@H](C)[C@H](NC(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC000008992466 393470770 /nfs/dbraw/zinc/47/07/70/393470770.db2.gz YCXJWZMMTSVQPW-RISCZKNCSA-N -1 0 290.363 2.648 50 0 CFAARM Cc1ccc2cc(C(=O)N3CCCC[C@H]3C(=O)[O-])[nH]c2c1 ZINC000195529739 393742298 /nfs/dbraw/zinc/74/22/98/393742298.db2.gz PXPMQAQRDVYKPY-AWEZNQCLSA-N -1 0 286.331 2.556 50 0 CFAARM O=C([O-])c1cnc(/C=C\c2cnn3ccccc23)s1 ZINC000356612475 155316780 /nfs/dbraw/zinc/31/67/80/155316780.db2.gz CFHNMESMFGSDQB-PLNGDYQASA-N -1 0 271.301 2.659 50 0 CFAARM Cc1nc(NCCCOC2CCCC2)c(Cl)c(=O)[n-]1 ZINC000825269923 782006764 /nfs/dbraw/zinc/00/67/64/782006764.db2.gz YUGKABHHUBIFHU-UHFFFAOYSA-N -1 0 285.775 2.905 50 0 CFAARM O=C([O-])[C@H]1C[C@@H](NC(=O)C[C@@H]2C=CCC2)c2ccccc21 ZINC000653328797 413290994 /nfs/dbraw/zinc/29/09/94/413290994.db2.gz NEQDJHDQXGIEFP-BYCMXARLSA-N -1 0 285.343 2.772 50 0 CFAARM Cc1ccc2c(c1)N(C(=O)c1ncccc1[O-])CCC2 ZINC000097102453 292333629 /nfs/dbraw/zinc/33/36/29/292333629.db2.gz NBVCIKWYDZUHPR-UHFFFAOYSA-N -1 0 268.316 2.689 50 0 CFAARM O=C([O-])COc1ccc2oc(-c3ccccc3)cc(=O)c2c1 ZINC000001977939 169765505 /nfs/dbraw/zinc/76/55/05/169765505.db2.gz KQEOGPCXQWMSKA-UHFFFAOYSA-N -1 0 296.278 2.923 50 0 CFAARM CC[C@@H](C)[C@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC000002408900 169791066 /nfs/dbraw/zinc/79/10/66/169791066.db2.gz KVYUIGQOFBDYRG-SKDRFNHKSA-N -1 0 298.770 2.639 50 0 CFAARM COc1ccc(Br)cc1C(=O)CCC(=O)[O-] ZINC000003319070 169878859 /nfs/dbraw/zinc/87/88/59/169878859.db2.gz JBMLZSXCPZIHEO-UHFFFAOYSA-N -1 0 287.109 2.505 50 0 CFAARM O=C([O-])C[C@H](c1cccc(O)c1)N1Cc2ccccc2C1=O ZINC000004014632 169930278 /nfs/dbraw/zinc/93/02/78/169930278.db2.gz ISLYTSGZUMCMAM-OAHLLOKOSA-N -1 0 297.310 2.564 50 0 CFAARM Cc1cc(C)nc([N-]c2noc(-c3ccccc3)n2)n1 ZINC000004502290 169973772 /nfs/dbraw/zinc/97/37/72/169973772.db2.gz WSADZDXEALWNTI-UHFFFAOYSA-N -1 0 267.292 2.887 50 0 CFAARM CC(C)[C@H](Nc1ccc(C(F)(F)F)cn1)C(=O)[O-] ZINC000004712933 170003328 /nfs/dbraw/zinc/00/33/28/170003328.db2.gz BCFIHQUDURXWQA-VIFPVBQESA-N -1 0 262.231 2.622 50 0 CFAARM COc1c(C)cccc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000004813937 170022139 /nfs/dbraw/zinc/02/21/39/170022139.db2.gz IGWQNABDCXKAES-UHFFFAOYSA-N -1 0 285.299 2.954 50 0 CFAARM CC(=O)Nc1ccccc1C(=O)c1ccccc1C(=O)[O-] ZINC000004844625 170029406 /nfs/dbraw/zinc/02/94/06/170029406.db2.gz SFHIITCRRYZOGL-UHFFFAOYSA-N -1 0 283.283 2.574 50 0 CFAARM CC1(C)[C@@H](C(=O)Nc2ccccc2O)CC[C@@]1(C)C(=O)[O-] ZINC000004906896 170039797 /nfs/dbraw/zinc/03/97/97/170039797.db2.gz UAGPWYKSZXTIMQ-HWPZZCPQSA-N -1 0 291.347 2.858 50 0 CFAARM COc1cccc(C(=O)c2cc3ccc([O-])cc3oc2=O)c1 ZINC000004937840 170042775 /nfs/dbraw/zinc/04/27/75/170042775.db2.gz LXEKSGFYMPUKMP-UHFFFAOYSA-N -1 0 296.278 2.738 50 0 CFAARM CCCCCOc1ccc(NC(=O)/C=C\C(=O)[O-])cc1 ZINC000005007286 170054299 /nfs/dbraw/zinc/05/42/99/170054299.db2.gz ZZRABWHQUHBXTO-KTKRTIGZSA-N -1 0 277.320 2.835 50 0 CFAARM COc1ccc(Nc2ncccc2C(=O)[O-])c(OC)c1 ZINC000005611551 170119507 /nfs/dbraw/zinc/11/95/07/170119507.db2.gz MHMFJIIOBLFSFC-UHFFFAOYSA-N -1 0 274.276 2.541 50 0 CFAARM O=C([O-])c1ccc2[nH]c(-c3cccc(O)c3)nc2c1 ZINC000005886385 170150576 /nfs/dbraw/zinc/15/05/76/170150576.db2.gz OZOFWYFYRJAFQH-UHFFFAOYSA-N -1 0 254.245 2.634 50 0 CFAARM O=S(=O)([O-])c1cccnc1SCc1ccccc1 ZINC000006025569 170169774 /nfs/dbraw/zinc/16/97/74/170169774.db2.gz GDVYGNCWSUBLNI-UHFFFAOYSA-N -1 0 281.358 2.621 50 0 CFAARM O=C1[N-]C(=O)/C(=C/c2ccc(Sc3ccccc3)o2)N1 ZINC000006282941 170188159 /nfs/dbraw/zinc/18/81/59/170188159.db2.gz PHCOLQOIOOXFJK-FLIBITNWSA-N -1 0 286.312 2.611 50 0 CFAARM c1sc([N-]c2ncccn2)nc1-c1ccncc1 ZINC000006549161 170212248 /nfs/dbraw/zinc/21/22/48/170212248.db2.gz NYGKCRRUCANIBJ-UHFFFAOYSA-N -1 0 255.306 2.739 50 0 CFAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc(F)cc1 ZINC000006700353 170228952 /nfs/dbraw/zinc/22/89/52/170228952.db2.gz ICCLLSWJJACMPU-FMPDERDJSA-N -1 0 291.322 2.901 50 0 CFAARM COc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C)c1 ZINC000006726495 170233158 /nfs/dbraw/zinc/23/31/58/170233158.db2.gz IEOPYOFYZSLLQY-QWHCGFSZSA-N -1 0 291.347 2.833 50 0 CFAARM CC1=C(C)C[C@H](C(=O)Nc2nccs2)[C@H](C(=O)[O-])C1 ZINC000006727026 170233585 /nfs/dbraw/zinc/23/35/85/170233585.db2.gz DYZZNFOVUNRJNW-VHSXEESVSA-N -1 0 280.349 2.529 50 0 CFAARM O=C([O-])CNc1nc(-c2ccccc2)nc2ccccc21 ZINC000006816477 170246093 /nfs/dbraw/zinc/24/60/93/170246093.db2.gz YDWBBGCNUQEBAW-UHFFFAOYSA-N -1 0 279.299 2.793 50 0 CFAARM CC[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)[O-] ZINC000008666680 170344925 /nfs/dbraw/zinc/34/49/25/170344925.db2.gz ZQGHKROKTTUQHF-NSHDSACASA-N -1 0 290.344 2.805 50 0 CFAARM O=C([O-])c1ccc(CNC(=O)CCc2ccccc2)cc1 ZINC000008908685 170358407 /nfs/dbraw/zinc/35/84/07/170358407.db2.gz BMYORBQEURQJNT-UHFFFAOYSA-N -1 0 283.327 2.634 50 0 CFAARM Cc1cc(O)ccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000008908334 170358438 /nfs/dbraw/zinc/35/84/38/170358438.db2.gz HWXGLGQUBUTUGE-VXGBXAGGSA-N -1 0 277.320 2.530 50 0 CFAARM O=c1cnnc(Nc2ccc(OCc3ccccc3)cc2)[n-]1 ZINC000008914301 170358729 /nfs/dbraw/zinc/35/87/29/170358729.db2.gz OFFKZNBTDKCZAJ-UHFFFAOYSA-N -1 0 294.314 2.900 50 0 CFAARM CCc1c(C)nc2c(-c3ccccc3)c[n-]n2c1=O ZINC000008914222 170358933 /nfs/dbraw/zinc/35/89/33/170358933.db2.gz WHUNMSZLXZXLND-UHFFFAOYSA-N -1 0 253.305 2.560 50 0 CFAARM CCOc1oc(-c2ccc(F)cc2)nc1C(=O)[O-] ZINC000009953682 170392116 /nfs/dbraw/zinc/39/21/16/170392116.db2.gz SCVRIWPTORCFOF-UHFFFAOYSA-N -1 0 251.213 2.578 50 0 CFAARM CCc1ccc(-n2nnc(C(=O)[O-])c2-c2ccncc2)cc1 ZINC000011730513 170434519 /nfs/dbraw/zinc/43/45/19/170434519.db2.gz PJGWMUMWRLUVOT-UHFFFAOYSA-N -1 0 294.314 2.590 50 0 CFAARM C[C@@H](Nc1nc(C(F)(F)F)nc2ccccc21)C(=O)[O-] ZINC000011768176 170440606 /nfs/dbraw/zinc/44/06/06/170440606.db2.gz BXNKEEOBUHXACZ-ZCFIWIBFSA-N -1 0 285.225 2.534 50 0 CFAARM CCCCc1c([O-])nc2sc3ccccc3n2c1=O ZINC000012368364 170480436 /nfs/dbraw/zinc/48/04/36/170480436.db2.gz 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/nfs/dbraw/zinc/20/40/42/171204042.db2.gz ADQHZNYYWAEFCT-UHFFFAOYSA-N -1 0 252.310 2.891 50 0 CFAARM Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)[O-] ZINC000021964455 171343666 /nfs/dbraw/zinc/34/36/66/171343666.db2.gz QWSDNLVYBMNSEJ-UHFFFAOYSA-N -1 0 264.712 2.770 50 0 CFAARM CCCc1noc2nc(-c3cccnc3)cc(C(=O)[O-])c12 ZINC000022172724 171368622 /nfs/dbraw/zinc/36/86/22/171368622.db2.gz ARCWXMTVQWLFGJ-UHFFFAOYSA-N -1 0 283.287 2.936 50 0 CFAARM CCOc1ccc(-c2nc(NC)sc2CC(=O)[O-])cc1 ZINC000022688715 171395575 /nfs/dbraw/zinc/39/55/75/171395575.db2.gz ZBSPEKDOASBHLO-UHFFFAOYSA-N -1 0 292.360 2.878 50 0 CFAARM Cn1c(CCCC(=O)[O-])nc2cccc(Cl)c21 ZINC000022688842 171395806 /nfs/dbraw/zinc/39/58/06/171395806.db2.gz KRNOTXBTUQDLMA-UHFFFAOYSA-N -1 0 252.701 2.634 50 0 CFAARM O=C([O-])/C=C\C(=O)Nc1ccc(Cl)cc1Cl ZINC000029763765 171608931 /nfs/dbraw/zinc/60/89/31/171608931.db2.gz WFWKZRKAECLVSE-ARJAWSKDSA-N -1 0 260.076 2.573 50 0 CFAARM COc1cc(-n2cccc2)c(Cl)cc1C(=O)[O-] ZINC000035160092 172018640 /nfs/dbraw/zinc/01/86/40/172018640.db2.gz ZTBFLHOEJYAUSR-UHFFFAOYSA-N -1 0 251.669 2.838 50 0 CFAARM O=C([O-])c1ccc(C(=O)N2CCc3sccc3C2)s1 ZINC000035185699 172039836 /nfs/dbraw/zinc/03/98/36/172039836.db2.gz JWAYQVSEAVFVKN-UHFFFAOYSA-N -1 0 293.369 2.706 50 0 CFAARM Cc1c(C(=O)[O-])cnn1-c1cccc(Br)c1 ZINC000035778643 172412231 /nfs/dbraw/zinc/41/22/31/172412231.db2.gz ULQBDRMGIOUASN-UHFFFAOYSA-N -1 0 281.109 2.641 50 0 CFAARM O=C([O-])c1ccc(F)c(NC(=O)C[C@H]2C=CCC2)c1 ZINC000037402889 173179639 /nfs/dbraw/zinc/17/96/39/173179639.db2.gz NDKXTNGEUGGVCX-VIFPVBQESA-N -1 0 263.268 2.819 50 0 CFAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc2cc(F)ccc2s1 ZINC000037410469 173186775 /nfs/dbraw/zinc/18/67/75/173186775.db2.gz QGJLBKCYKZNJLN-SNVBAGLBSA-N -1 0 293.319 2.730 50 0 CFAARM O=C([O-])C1CCC(NC(=O)c2ccc(Cl)cc2F)CC1 ZINC000037561289 173271160 /nfs/dbraw/zinc/27/11/60/173271160.db2.gz MSFXIJSNLZYJTJ-UHFFFAOYSA-N -1 0 299.729 2.852 50 0 CFAARM O=c1oc2cc([O-])ccc2cc1-c1ccc(O)cc1 ZINC000038418848 174141655 /nfs/dbraw/zinc/14/16/55/174141655.db2.gz FLVROUNAFWXBQG-UHFFFAOYSA-N -1 0 254.241 2.871 50 0 CFAARM Cc1ccc(/C=C/C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)o1 ZINC000043584138 175071096 /nfs/dbraw/zinc/07/10/96/175071096.db2.gz VUMMLLUWCSZNFT-GWJCSSMESA-N -1 0 291.347 2.705 50 0 CFAARM CC(C)c1c(C(=O)[O-])nnn1Cc1c(F)cccc1Cl ZINC000050214464 175511969 /nfs/dbraw/zinc/51/19/69/175511969.db2.gz IHFOVFBWHNPITI-UHFFFAOYSA-N -1 0 297.717 2.941 50 0 CFAARM O=C([O-])c1cncc(-c2cccc(-c3cc[nH]n3)c2)c1 ZINC000067676283 175783138 /nfs/dbraw/zinc/78/31/38/175783138.db2.gz LLNGJWNUAYCSST-UHFFFAOYSA-N -1 0 265.272 2.837 50 0 CFAARM Cc1cc(C)cc(Oc2ccc3n[n-]c(=S)n3n2)c1 ZINC000071289431 176110550 /nfs/dbraw/zinc/11/05/50/176110550.db2.gz WWUWXYRLFKMXFY-UHFFFAOYSA-N -1 0 272.333 2.822 50 0 CFAARM O=C([O-])Cc1cc(Br)cc(OC(F)(F)F)c1 ZINC000071867326 176281701 /nfs/dbraw/zinc/28/17/01/176281701.db2.gz PEBPBUMXKAQCGP-UHFFFAOYSA-N -1 0 299.042 2.975 50 0 CFAARM CCn1nc(C(F)(F)F)c(C(=O)[O-])c1C(F)F ZINC000078870107 177399000 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296.392 2.523 50 0 CFAARM O=C([O-])C[C@@H](NC(=O)CC1CCCC1)c1cccs1 ZINC000095348437 375417713 /nfs/dbraw/zinc/41/77/13/375417713.db2.gz JSVSDVORLMLUFC-LLVKDONJSA-N -1 0 281.377 2.960 50 0 CFAARM CN(Cc1cccnc1)[C@H](/C=C/C(C)(C)C)C(=O)[O-] ZINC000095379349 375424916 /nfs/dbraw/zinc/42/49/16/375424916.db2.gz VIDMMVUSGPODBE-SBDDDAINSA-N -1 0 262.353 2.569 50 0 CFAARM Cn1c2ccccc2c([O-])c(Cc2ccccc2)c1=O ZINC000100294406 375617908 /nfs/dbraw/zinc/61/79/08/375617908.db2.gz OHIJOFZMPLWASO-UHFFFAOYSA-N -1 0 265.312 2.835 50 0 CFAARM CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC(=O)[O-])CC1 ZINC000100007005 375612132 /nfs/dbraw/zinc/61/21/32/375612132.db2.gz IHXBNSUFUFFBRL-AOOOYVTPSA-N -1 0 257.330 2.545 50 0 CFAARM O=c1cc(C(F)(F)F)[n-]n1-c1nc2ccccc2s1 ZINC000105683807 375791302 /nfs/dbraw/zinc/79/13/02/375791302.db2.gz RLYDTFGTUDETLP-UHFFFAOYSA-N -1 0 285.250 2.951 50 0 CFAARM CN(Cc1ccccc1F)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000111473262 375851392 /nfs/dbraw/zinc/85/13/92/375851392.db2.gz 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275.301 2.827 50 0 CFAARM O=C([O-])C[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000000286956 371578270 /nfs/dbraw/zinc/57/82/70/371578270.db2.gz VRZBLYAGRWDUPY-CQSZACIVSA-N -1 0 269.300 2.632 50 0 CFAARM Cc1ccc(CNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000283688 371578347 /nfs/dbraw/zinc/57/83/47/371578347.db2.gz PSSBIXAJHLXFLI-UONOGXRCSA-N -1 0 275.348 2.502 50 0 CFAARM O=S(=O)([N-]c1ccc(Cl)cc1O)c1ccccc1 ZINC000000307742 371584165 /nfs/dbraw/zinc/58/41/65/371584165.db2.gz RONKFMHPAFRXHH-UHFFFAOYSA-N -1 0 283.736 2.846 50 0 CFAARM Cc1ccc(C)c(NC(=O)C[C@@H](C(=O)[O-])[C@H]2CCCO2)c1 ZINC000000333472 371589781 /nfs/dbraw/zinc/58/97/81/371589781.db2.gz HOPYTSGYSVKHNS-TZMCWYRMSA-N -1 0 291.347 2.512 50 0 CFAARM CC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000341418 371590778 /nfs/dbraw/zinc/59/07/78/371590778.db2.gz ZUQGGJINTUPOSO-ZIAGYGMSSA-N -1 0 289.331 2.719 50 0 CFAARM CC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000341417 371591227 /nfs/dbraw/zinc/59/12/27/371591227.db2.gz ZUQGGJINTUPOSO-UONOGXRCSA-N -1 0 289.331 2.719 50 0 CFAARM Nc1cc(C(=O)Nc2ccccc2C(=O)[O-])ccc1Cl ZINC000000380697 371600119 /nfs/dbraw/zinc/60/01/19/371600119.db2.gz YHVJKWLRXKJIIC-UHFFFAOYSA-N -1 0 290.706 2.873 50 0 CFAARM Cc1ccc(O)c([N-]S(=O)(=O)c2ccccc2C)c1 ZINC000000383767 371600147 /nfs/dbraw/zinc/60/01/47/371600147.db2.gz TUCMHJHBHMWLNU-UHFFFAOYSA-N -1 0 277.345 2.810 50 0 CFAARM CCOc1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000397548 371604657 /nfs/dbraw/zinc/60/46/57/371604657.db2.gz ULZKFKLDWXBARY-NEPJUHHUSA-N -1 0 291.347 2.915 50 0 CFAARM Cc1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000397905 371604853 /nfs/dbraw/zinc/60/48/53/371604853.db2.gz VHDUCGDGGIOQHQ-RYUDHWBXSA-N -1 0 261.321 2.825 50 0 CFAARM O=C([O-])CCCC(=O)Nc1cccc(Br)c1 ZINC000000398763 371604899 /nfs/dbraw/zinc/60/48/99/371604899.db2.gz ACFLDQOOOHHHOZ-UHFFFAOYSA-N -1 0 286.125 2.643 50 0 CFAARM CCc1cc2c(cc1[O-])occ(-c1ccon1)c2=O ZINC000000408755 371608610 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371658653 /nfs/dbraw/zinc/65/86/53/371658653.db2.gz SRNYRXCJVPQCIB-UHFFFAOYSA-N -1 0 281.358 2.752 50 0 CFAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])Cc1ccsc1 ZINC000002575670 371739744 /nfs/dbraw/zinc/73/97/44/371739744.db2.gz NMIXJPLQPAOBBV-JTQLQIEISA-N -1 0 285.365 2.659 50 0 CFAARM CN(C(=O)OC(C)(C)C)[C@H](C(=O)[O-])c1ccccc1 ZINC000002391142 371725269 /nfs/dbraw/zinc/72/52/69/371725269.db2.gz COABPHLHHQAKPL-NSHDSACASA-N -1 0 265.309 2.679 50 0 CFAARM CCCCCn1c2ccccc2c2[n-][nH]c(=O)c2c1=O ZINC000001645596 371691964 /nfs/dbraw/zinc/69/19/64/371691964.db2.gz GHDDKDOMDBFAJB-UHFFFAOYSA-N -1 0 271.320 2.774 50 0 CFAARM O=C([O-])c1cccnc1SCC(=O)c1ccc(F)cc1 ZINC000002674875 371746901 /nfs/dbraw/zinc/74/69/01/371746901.db2.gz CGOVRGILPHTMHV-UHFFFAOYSA-N -1 0 291.303 2.894 50 0 CFAARM CCCCC[C@@H]1NC(=O)N[C@@H]1CCCCCC(=O)[O-] ZINC000002839250 371759868 /nfs/dbraw/zinc/75/98/68/371759868.db2.gz NSDQBEBMMGYYSM-NWDGAFQWSA-N -1 0 270.373 2.652 50 0 CFAARM Cc1cccc(C(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000003130123 371773663 /nfs/dbraw/zinc/77/36/63/371773663.db2.gz PDSKMMICXQZOTA-UHFFFAOYSA-N -1 0 255.273 2.946 50 0 CFAARM CC(=O)N(Cc1ccccc1)c1ccccc1C(=O)[O-] ZINC000003173891 371777475 /nfs/dbraw/zinc/77/74/75/371777475.db2.gz JOMIBSXPZITYFA-UHFFFAOYSA-N -1 0 269.300 2.938 50 0 CFAARM Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)[O-] ZINC000003282480 371786996 /nfs/dbraw/zinc/78/69/96/371786996.db2.gz HBBFROSEHCCZQL-BQYQJAHWSA-N -1 0 262.696 2.932 50 0 CFAARM CC(C)(C)OC(=O)N[C@@](C)(Cc1ccccc1)C(=O)[O-] ZINC000002583019 371741344 /nfs/dbraw/zinc/74/13/44/371741344.db2.gz FAXPKABRZLISKX-HNNXBMFYSA-N -1 0 279.336 2.597 50 0 CFAARM O=C([O-])CSc1nn(-c2ccccc2)c(=S)s1 ZINC000002619064 371742655 /nfs/dbraw/zinc/74/26/55/371742655.db2.gz MEPMPDDNJUVAFU-UHFFFAOYSA-N -1 0 284.387 2.840 50 0 CFAARM O=C([O-])CCCNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000003620514 371814266 /nfs/dbraw/zinc/81/42/66/371814266.db2.gz HSEFFJSJSQTKQX-UHFFFAOYSA-N -1 0 276.119 2.588 50 0 CFAARM C[C@@H](C(=O)[O-])c1ccc2c(c1)Cc1cccnc1O2 ZINC000003831354 371818549 /nfs/dbraw/zinc/81/85/49/371818549.db2.gz TVQZAMVBTVNYLA-SECBINFHSA-N -1 0 255.273 2.966 50 0 world CFAARM O=C([O-])C[C@@H](NC(=O)c1ccccc1Cl)c1ccco1 ZINC000003856193 371821072 /nfs/dbraw/zinc/82/10/72/371821072.db2.gz LRWAFNTWHXIOTM-LLVKDONJSA-N -1 0 293.706 2.879 50 0 CFAARM COc1ccc(C=O)cc1O[C@@H](C(=O)[O-])c1ccccc1 ZINC000003884169 371822217 /nfs/dbraw/zinc/82/22/17/371822217.db2.gz UPXUEIMEVCVCLQ-OAHLLOKOSA-N -1 0 286.283 2.712 50 0 CFAARM C[C@H](Oc1ccc2c(c1)oc(=O)c1c2CCCC1)C(=O)[O-] ZINC000003902500 371824076 /nfs/dbraw/zinc/82/40/76/371824076.db2.gz ULRQUCQIGHCXBR-VIFPVBQESA-N -1 0 288.299 2.524 50 0 CFAARM Cc1ccc([S@@](=O)Cc2ccc(C(=O)[O-])o2)cc1 ZINC000003913567 371826072 /nfs/dbraw/zinc/82/60/72/371826072.db2.gz ZKOMSWMOWKDGDT-GOSISDBHSA-N -1 0 264.302 2.594 50 0 CFAARM O=C([O-])/C=C\C(=O)Nc1ccc(SC(F)(F)F)cc1 ZINC000004566211 371863990 /nfs/dbraw/zinc/86/39/90/371863990.db2.gz MCCQYWQNFOXHSY-WAYWQWQTSA-N -1 0 291.250 2.878 50 0 CFAARM Cc1ccccc1CNC(=O)c1ccccc1C(=O)[O-] ZINC000004671134 371871361 /nfs/dbraw/zinc/87/13/61/371871361.db2.gz RJWQVKJGHYPMID-UHFFFAOYSA-N -1 0 269.300 2.623 50 0 CFAARM C[C@H]1CCc2ccccc2N1C(=O)CCCC(=O)[O-] ZINC000004740101 371873828 /nfs/dbraw/zinc/87/38/28/371873828.db2.gz LYJPSTCKCHEMST-NSHDSACASA-N -1 0 261.321 2.609 50 0 CFAARM CCCCC1CCC(c2nn(CC(=O)[O-])c(=N)s2)CC1 ZINC000004134375 371836597 /nfs/dbraw/zinc/83/65/97/371836597.db2.gz XABBFLAZZZDGSR-UHFFFAOYSA-N -1 0 297.424 2.973 50 0 CFAARM O=C([O-])CCCOc1ccccc1Br ZINC000011993531 371940568 /nfs/dbraw/zinc/94/05/68/371940568.db2.gz RFXWFHPAPWPKCP-UHFFFAOYSA-N -1 0 259.099 2.693 50 0 CFAARM Cc1ccc(O[C@@H](C)C(=O)[O-])c(Br)c1 ZINC000011994801 371941501 /nfs/dbraw/zinc/94/15/01/371941501.db2.gz GHHXWCJVBYFPLG-ZETCQYMHSA-N -1 0 259.099 2.609 50 0 CFAARM CCCCN1c2ccccc2-c2oc(=O)cc([O-])c2[C@H]1O ZINC000006666795 371890389 /nfs/dbraw/zinc/89/03/89/371890389.db2.gz COCWLLZJWCVFNL-MRXNPFEDSA-N -1 0 287.315 2.623 50 0 CFAARM O=c1c2c([n-]n1-c1nc3ccccc3s1)CCCC2 ZINC000009227018 371899990 /nfs/dbraw/zinc/89/99/90/371899990.db2.gz QWUHPPCZZXKXOQ-UHFFFAOYSA-N -1 0 271.345 2.654 50 0 CFAARM CC[C@@H](NC(=O)CCC(=O)[O-])c1ccc2c(c1)CCCC2 ZINC000011847624 371931188 /nfs/dbraw/zinc/93/11/88/371931188.db2.gz XVVLHZFBRNTYJW-OAHLLOKOSA-N -1 0 289.375 2.998 50 0 CFAARM CCOc1cc(Cl)c(/C=C/C(=O)[O-])cc1OC ZINC000012394630 371958906 /nfs/dbraw/zinc/95/89/06/371958906.db2.gz OSRIQQGHWFTWML-SNAWJCMRSA-N -1 0 256.685 2.845 50 0 CFAARM Cc1cccc(NC(=O)c2ccccc2)c1C(=O)[O-] ZINC000012340502 371952093 /nfs/dbraw/zinc/95/20/93/371952093.db2.gz MUNHBWHENXJGEB-UHFFFAOYSA-N -1 0 255.273 2.946 50 0 CFAARM CCn1ncc2c1nc(-c1ccccc1)cc2C(=O)[O-] ZINC000012357799 371954978 /nfs/dbraw/zinc/95/49/78/371954978.db2.gz ADCBMNIKBFUALR-UHFFFAOYSA-N -1 0 267.288 2.816 50 0 CFAARM O=C([O-])C1(CC(=O)Nc2ccc3c[nH]nc3c2)CCCC1 ZINC000013253596 372021877 /nfs/dbraw/zinc/02/18/77/372021877.db2.gz XQVVLDFNVUDPMO-UHFFFAOYSA-N -1 0 287.319 2.537 50 0 CFAARM Cc1cccc(CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000013323046 372022773 /nfs/dbraw/zinc/02/27/73/372022773.db2.gz UDPHQZXDPDNEQS-UHFFFAOYSA-N -1 0 269.300 2.874 50 0 CFAARM CC(C)OP(=O)(OC(C)C)C(Cl)=CNCC(=O)[O-] ZINC000013512987 372029563 /nfs/dbraw/zinc/02/95/63/372029563.db2.gz GCKXSGPQKFNLKL-UITAMQMPSA-N -1 0 299.691 2.741 50 0 CFAARM CC[C@H](C)[C@H](NC(=O)Nc1ccc(C)c(C)c1)C(=O)[O-] ZINC000013786790 372049493 /nfs/dbraw/zinc/04/94/93/372049493.db2.gz VFQZJFAPQPNKNZ-ZANVPECISA-N -1 0 278.352 2.924 50 0 CFAARM Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)n1 ZINC000013947683 372055088 /nfs/dbraw/zinc/05/50/88/372055088.db2.gz LPNBCLMLGJMAON-UHFFFAOYSA-N -1 0 276.361 2.808 50 0 CFAARM COc1ccc(C)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000016481378 372106837 /nfs/dbraw/zinc/10/68/37/372106837.db2.gz AWELGHGTSCBPPF-UHFFFAOYSA-N -1 0 279.336 2.833 50 0 CFAARM O=C1[N-]C(=O)[C@@H](Nc2cc(Cl)ccc2Cl)S1 ZINC000016669644 372116383 /nfs/dbraw/zinc/11/63/83/372116383.db2.gz DPSXHVYBGJPSEO-QMMMGPOBSA-N -1 0 277.132 2.714 50 0 CFAARM O=S(=O)([N-]c1ccc(F)cc1)c1cc(F)ccc1F ZINC000014254346 372066335 /nfs/dbraw/zinc/06/63/35/372066335.db2.gz DLAGKROIYHXSFG-UHFFFAOYSA-N -1 0 287.262 2.905 50 0 CFAARM O=S(=O)([N-]c1cccc(F)c1)c1cc(F)cc(F)c1 ZINC000016101213 372099388 /nfs/dbraw/zinc/09/93/88/372099388.db2.gz MACRWYPPMCOYLR-UHFFFAOYSA-N -1 0 287.262 2.905 50 0 CFAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1F ZINC000019279518 372154673 /nfs/dbraw/zinc/15/46/73/372154673.db2.gz NUDWGOYGOOAKBC-LLVKDONJSA-N -1 0 285.702 2.558 50 0 CFAARM Cc1cc2nc(-c3ccc(N)cc3)n(CC(=O)[O-])c2cc1C ZINC000019751279 372184039 /nfs/dbraw/zinc/18/40/39/372184039.db2.gz ZSOUYZPOJWJUCA-UHFFFAOYSA-N -1 0 295.342 2.987 50 0 CFAARM Cc1cc(C)c2nc(SCC(=O)[O-])nc(C)c2c1 ZINC000019819513 372191643 /nfs/dbraw/zinc/19/16/43/372191643.db2.gz PCKNLBDSLJVBKJ-UHFFFAOYSA-N -1 0 262.334 2.732 50 0 CFAARM C[C@H]1CCCC[C@H]1OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237566498 189881776 /nfs/dbraw/zinc/88/17/76/189881776.db2.gz GNKNVGXXDMQZRV-SMDDNHRTSA-N -1 0 291.347 2.919 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2.645 50 0 CFAARM O=C([O-])C1(c2cccc(Br)c2)CCOCC1 ZINC000036379533 372575380 /nfs/dbraw/zinc/57/53/80/372575380.db2.gz QQHCLIPWQURSGS-UHFFFAOYSA-N -1 0 285.137 2.582 50 0 CFAARM CC(C)COc1cn(-c2ccccc2)nc1C(=O)[O-] ZINC000036882972 372606727 /nfs/dbraw/zinc/60/67/27/372606727.db2.gz BFJGUICTFDTUAT-UHFFFAOYSA-N -1 0 260.293 2.605 50 0 CFAARM CC(C)(C)OC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000037587425 372668899 /nfs/dbraw/zinc/66/88/99/372668899.db2.gz PEZSGCBQTNYZCL-UHFFFAOYSA-N -1 0 255.245 2.871 50 0 CFAARM COCC[C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000037653664 372686496 /nfs/dbraw/zinc/68/64/96/372686496.db2.gz YVHMMTQUCMUJMW-SNVBAGLBSA-N -1 0 287.153 2.729 50 0 CFAARM CC(C)N(CC(=O)[O-])C(=O)c1ccc2ccccc2c1 ZINC000037993285 372754133 /nfs/dbraw/zinc/75/41/33/372754133.db2.gz VGNPNEQEALUSLE-UHFFFAOYSA-N -1 0 271.316 2.775 50 0 CFAARM O=C([O-])C1CCN(C(=O)c2csc3ccccc23)CC1 ZINC000042880807 372963881 /nfs/dbraw/zinc/96/38/81/372963881.db2.gz XHUFXCFHNYXURZ-UHFFFAOYSA-N -1 0 289.356 2.838 50 0 CFAARM 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ZINC000034925029 171893952 /nfs/dbraw/zinc/89/39/52/171893952.db2.gz WNRMPDTUWWSIEU-HWKANZROSA-N -1 0 290.237 2.872 50 0 CFAARM COc1ccccc1-c1cc(CC(=O)[O-])ccc1OC ZINC000034929285 171895946 /nfs/dbraw/zinc/89/59/46/171895946.db2.gz XYFBEVCWFCNFOM-UHFFFAOYSA-N -1 0 272.300 2.998 50 0 CFAARM CC(C)c1ccc([C@@H](C)NC(=O)CCC(=O)[O-])cc1 ZINC000035670924 172343577 /nfs/dbraw/zinc/34/35/77/172343577.db2.gz IZNWJCNOQBSOMT-LLVKDONJSA-N -1 0 263.337 2.852 50 0 CFAARM O=C([O-])C1(NC(=O)c2cc(Cl)ccc2F)CCCC1 ZINC000037329672 173130157 /nfs/dbraw/zinc/13/01/57/173130157.db2.gz LWBUPHJJGHZVOF-UHFFFAOYSA-N -1 0 285.702 2.606 50 0 CFAARM C[C@H](O)C[C@H](Sc1ccc2ccccc2n1)C(=O)[O-] ZINC000040051459 174185111 /nfs/dbraw/zinc/18/51/11/174185111.db2.gz XMHBBOIBJYRQDN-CABZTGNLSA-N -1 0 277.345 2.551 50 0 CFAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC000043583981 175070797 /nfs/dbraw/zinc/07/07/97/175070797.db2.gz ODEQDYDOMIVNHG-VIFPVBQESA-N -1 0 285.727 2.650 50 0 CFAARM CCOC(=O)c1cc(=O)n(-c2ccc(F)c(Cl)c2)[n-]1 ZINC000045929890 175387242 /nfs/dbraw/zinc/38/72/42/175387242.db2.gz DAILMAIIOYHSJK-UHFFFAOYSA-N -1 0 284.674 2.547 50 0 CFAARM CCCc1sc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1CC ZINC000062118150 175663600 /nfs/dbraw/zinc/66/36/00/175663600.db2.gz PEHPYCPMMFILRY-LLVKDONJSA-N -1 0 295.404 2.810 50 0 CFAARM C[C@@H](CCC(=O)[O-])NC(=O)c1ccccc1C(F)(F)F ZINC000070309527 175886959 /nfs/dbraw/zinc/88/69/59/175886959.db2.gz HZYBTBPXKBFBPE-QMMMGPOBSA-N -1 0 289.253 2.689 50 0 CFAARM Cc1ccnc(N2CC[C@@H](Cc3cccc(C(=O)[O-])c3)C2)n1 ZINC000072172782 176333677 /nfs/dbraw/zinc/33/36/77/176333677.db2.gz SAUOSMOKMPEXJA-AWEZNQCLSA-N -1 0 297.358 2.552 50 0 CFAARM Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cc1 ZINC000072314378 176368141 /nfs/dbraw/zinc/36/81/41/176368141.db2.gz BUXJGCGYUCRGOK-UHFFFAOYSA-N -1 0 282.752 2.844 50 0 CFAARM C[C@H]1CCC[C@H](C)N1C(=O)COc1ccc(C(=O)[O-])cc1 ZINC000003886238 260013646 /nfs/dbraw/zinc/01/36/46/260013646.db2.gz KWQBRUAGAALBJS-RYUDHWBXSA-N -1 0 291.347 2.553 50 0 CFAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)NCc1cccs1 ZINC000006699136 260023775 /nfs/dbraw/zinc/02/37/75/260023775.db2.gz VJHSXLFZVXIECZ-UHGWMABZSA-N -1 0 293.388 2.501 50 0 CFAARM CC(C)(C)OC(=O)N1CCc2sc(C(=O)[O-])cc2C1 ZINC000030678279 278414156 /nfs/dbraw/zinc/41/41/56/278414156.db2.gz VYACEHZLOWZZEV-UHFFFAOYSA-N -1 0 283.349 2.740 50 0 CFAARM CC(C)(C)OC(=O)N1Cc2ccccc2[C@H]1C(=O)[O-] ZINC000002379485 278419877 /nfs/dbraw/zinc/41/98/77/278419877.db2.gz BBMCBMREDOQCDU-NSHDSACASA-N -1 0 263.293 2.563 50 0 CFAARM CC(C)(C)OC(=O)N[C@@](C)(Cc1ccc(F)cc1)C(=O)[O-] ZINC000008700682 278441193 /nfs/dbraw/zinc/44/11/93/278441193.db2.gz FYZOMAOEKLIUIA-HNNXBMFYSA-N -1 0 297.326 2.736 50 0 CFAARM CC(C)(C)c1cc([O-])c(S(N)(=O)=O)c(C(C)(C)C)c1 ZINC000000449226 278558825 /nfs/dbraw/zinc/55/88/25/278558825.db2.gz MBLULWGZYDLOKZ-UHFFFAOYSA-N -1 0 285.409 2.635 50 0 CFAARM CC(C)[C@](O)(CCc1ccc(F)cc1)CC(=O)[O-] ZINC000044126486 280527450 /nfs/dbraw/zinc/52/74/50/280527450.db2.gz GXIIPUVSOZFVGX-AWEZNQCLSA-N -1 0 254.301 2.620 50 0 CFAARM CC1(C)[C@@H](C(=O)N2CCCCC2)CC[C@]1(C)C(=O)[O-] ZINC000000249949 281435145 /nfs/dbraw/zinc/43/51/45/281435145.db2.gz PIADNPDPQSZWDH-IAQYHMDHSA-N -1 0 267.369 2.526 50 0 CFAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(Cl)cc21 ZINC000000406649 288696636 /nfs/dbraw/zinc/69/66/36/288696636.db2.gz WNNSMMJBBOPPOT-UHFFFAOYSA-N -1 0 269.659 2.512 50 0 in-vitro CFAARM COc1ccc([C@@H](CC(=O)[O-])CC(=O)NC(C)(C)C)cc1 ZINC000057607745 295211113 /nfs/dbraw/zinc/21/11/13/295211113.db2.gz ZTXIXZAVJJYHSR-GFCCVEGCSA-N -1 0 293.363 2.558 50 0 CFAARM Cc1[n-]n(-c2nc3ccccc3[nH]2)c(=O)c1CCC(C)C ZINC000002341135 300896364 /nfs/dbraw/zinc/89/63/64/300896364.db2.gz HQVHCKOPNMAKEX-UHFFFAOYSA-N -1 0 284.363 2.939 50 0 CFAARM O=C1[C@@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1ccccc1[S-] ZINC000004836923 304710332 /nfs/dbraw/zinc/71/03/32/304710332.db2.gz JTNJSFCPMPXINI-JDNZLRHBSA-N -1 0 273.357 2.511 50 0 CFAARM Cc1cc(C(=O)[O-])ccc1NC(=O)c1n[nH]c2c1CCCC2 ZINC000095956911 301154915 /nfs/dbraw/zinc/15/49/15/301154915.db2.gz CQSBVYUJQKOMBM-UHFFFAOYSA-N -1 0 299.330 2.547 50 0 CFAARM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1CCO[C@@H](C)C1 ZINC000262809353 301173524 /nfs/dbraw/zinc/17/35/24/301173524.db2.gz OZJJEAQXVLYXHE-RYUDHWBXSA-N -1 0 291.347 2.755 50 0 CFAARM Cc1cc(C)c2c(n1)sc1c2[n-]c(=S)[nH]c1=O ZINC000005625945 301213432 /nfs/dbraw/zinc/21/34/32/301213432.db2.gz HCVMGGGHBQSQHY-UHFFFAOYSA-N -1 0 263.347 2.851 50 0 CFAARM Cc1cc(C)nc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000002747359 301264855 /nfs/dbraw/zinc/26/48/55/301264855.db2.gz DRIVHGSMFNPLGN-RYUDHWBXSA-N -1 0 276.336 2.528 50 0 CFAARM Cc1ccc(F)cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000006730655 301613175 /nfs/dbraw/zinc/61/31/75/301613175.db2.gz JWROTKAEAMMUNM-NWDGAFQWSA-N -1 0 279.311 2.964 50 0 CFAARM Cc1ccoc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000195551279 302297867 /nfs/dbraw/zinc/29/78/67/302297867.db2.gz ZCKVTRZFUIYEAZ-CYBMUJFWSA-N -1 0 287.315 2.842 50 0 CFAARM Cc1[n-]n2c(nc3c(c2=O)CCC3)c1-c1ccccc1 ZINC000100642467 302808269 /nfs/dbraw/zinc/80/82/69/302808269.db2.gz GFHJPOCHGABNOS-UHFFFAOYSA-N -1 0 265.316 2.899 50 0 CFAARM Nc1c(=O)oc2ccccc2c1Nc1ccccc1C(=O)[O-] ZINC000019606826 303491353 /nfs/dbraw/zinc/49/13/53/303491353.db2.gz FHRZHXVWEHCNLV-UHFFFAOYSA-N -1 0 296.282 2.817 50 0 CFAARM c1ccc(NN=c2nc(-c3ccccc3)cn[n-]2)cc1 ZINC000000434469 304854935 /nfs/dbraw/zinc/85/49/35/304854935.db2.gz LXHCWFIDIUBYKQ-UHFFFAOYSA-N -1 0 263.304 2.978 50 0 CFAARM COc1cc(C)cc(OC)c1-c1cnn([C@@H](C)C(=O)[O-])c1 ZINC000534577635 328310506 /nfs/dbraw/zinc/31/05/06/328310506.db2.gz ZRBYFFOQFWNSNV-JTQLQIEISA-N -1 0 290.319 2.521 50 0 CFAARM Cc1ccc2ncc(-c3cn(C)nc3C(=O)[O-])cc2c1 ZINC000534592200 328318663 /nfs/dbraw/zinc/31/86/63/328318663.db2.gz OKQVNEQGZCVTOP-UHFFFAOYSA-N -1 0 267.288 2.642 50 0 CFAARM Cc1n[nH]cc1-c1ccc(O[C@H](C)C(=O)[O-])c(Cl)c1 ZINC000534634898 328333199 /nfs/dbraw/zinc/33/31/99/328333199.db2.gz VLXIOKQKZAYDEK-MRVPVSSYSA-N -1 0 280.711 2.890 50 0 CFAARM O=C([O-])c1ccc(-c2ccc(-n3cccn3)cc2)o1 ZINC000534647170 328342786 /nfs/dbraw/zinc/34/27/86/328342786.db2.gz LUJJHIHDTRUFGC-UHFFFAOYSA-N -1 0 254.245 2.831 50 0 CFAARM C[C@@H](C(=O)[O-])n1cc(-c2cccc3c2OC(F)(F)O3)cn1 ZINC000534662708 328350262 /nfs/dbraw/zinc/35/02/62/328350262.db2.gz DYZFEIDGTITRCB-ZETCQYMHSA-N -1 0 296.229 2.517 50 0 CFAARM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)c1ccsc1 ZINC000195544325 324108540 /nfs/dbraw/zinc/10/85/40/324108540.db2.gz IFSUEUMIRUZWQX-VHSXEESVSA-N -1 0 269.366 2.563 50 0 CFAARM O=C([O-])c1cccc(NC(=O)[C@H]2C[C@@H]2c2ccco2)c1 ZINC000097018381 534549899 /nfs/dbraw/zinc/54/98/99/534549899.db2.gz NBVXWCZCJPECHA-RYUDHWBXSA-N -1 0 271.272 2.720 50 0 CFAARM CC[C@@H](C)N(C)C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000097017669 529338692 /nfs/dbraw/zinc/33/86/92/529338692.db2.gz WEGAQIOIRYEISB-PFEDMVJOSA-N -1 0 261.321 2.655 50 0 CFAARM CC[C@@H](Oc1ccc(Br)cc1F)C(=O)[O-] ZINC000035055677 570238317 /nfs/dbraw/zinc/23/83/17/570238317.db2.gz YIBPGQNJYCTOOG-MRVPVSSYSA-N -1 0 277.089 2.830 50 0 CFAARM CC[C@H](Oc1ccc(Br)cc1F)C(=O)[O-] ZINC000035055676 570238330 /nfs/dbraw/zinc/23/83/30/570238330.db2.gz YIBPGQNJYCTOOG-QMMMGPOBSA-N -1 0 277.089 2.830 50 0 CFAARM N#C/C(=C\c1ccccc1OCC(F)(F)F)C(=O)[O-] ZINC000084494379 600981889 /nfs/dbraw/zinc/98/18/89/600981889.db2.gz PWJBABMMMXKAHY-WEVVVXLNSA-N -1 0 271.194 2.619 50 0 CFAARM CC[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000019283201 617957223 /nfs/dbraw/zinc/95/72/23/617957223.db2.gz GLZOXOAYUSXTQH-KBPBESRZSA-N -1 0 275.348 2.646 50 0 CFAARM CC(C)n1ccc(C(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000737655940 619331396 /nfs/dbraw/zinc/33/13/96/619331396.db2.gz UTBCWRUDIATWGC-YVMONPNESA-N -1 0 299.330 2.814 50 0 CFAARM Cc1ccccc1CNc1cncc(SCC(=O)[O-])n1 ZINC000032577550 779064663 /nfs/dbraw/zinc/06/46/63/779064663.db2.gz FIBLTRAKFSDWBA-UHFFFAOYSA-N -1 0 289.360 2.574 50 0 CFAARM C[C@@H](CN(Cc1ccccc1)C(=O)C1CC=CC1)C(=O)[O-] ZINC000097017829 230386450 /nfs/dbraw/zinc/38/64/50/230386450.db2.gz HOSCTXXSKGNQCF-ZDUSSCGKSA-N -1 0 287.359 2.702 50 0 CFAARM O=C([O-])[C@H]1CC[C@@H](C(=O)c2ccc(F)cc2)CC1 ZINC000100449885 230391913 /nfs/dbraw/zinc/39/19/13/230391913.db2.gz UNBXJGIVEWFNMT-HOMQSWHASA-N -1 0 250.269 2.899 50 0 CFAARM O=C([O-])[C@H]1CC[C@H](C(=O)c2cccc(F)c2)CC1 ZINC000100449774 230391930 /nfs/dbraw/zinc/39/19/30/230391930.db2.gz MJLWCZHEGMDMRI-AOOOYVTPSA-N -1 0 250.269 2.899 50 0 CFAARM CCc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])o1 ZINC000095955627 185041909 /nfs/dbraw/zinc/04/19/09/185041909.db2.gz MBQXJTZHJIKBJQ-HNNXBMFYSA-N -1 0 299.326 2.666 50 0 CFAARM CC(C)C[C@H](CNC(=O)[C@@H]1CCc2ccccc21)C(=O)[O-] ZINC000095970780 185048766 /nfs/dbraw/zinc/04/87/66/185048766.db2.gz QPPIHVXNPRJUFR-UKRRQHHQSA-N -1 0 289.375 2.580 50 0 CFAARM CC(C)CNc1nccc(Nc2cccc(C(=O)[O-])c2)n1 ZINC000096693832 185109487 /nfs/dbraw/zinc/10/94/87/185109487.db2.gz AIXKJKFNRHXNRM-UHFFFAOYSA-N -1 0 286.335 2.986 50 0 CFAARM O=C(c1ccc([O-])c(Cl)c1)N1CCc2cnccc21 ZINC000097012036 185152029 /nfs/dbraw/zinc/15/20/29/185152029.db2.gz SCXYCZMAFONGMF-UHFFFAOYSA-N -1 0 274.707 2.644 50 0 CFAARM CCc1ccc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)o1 ZINC000097018433 185152461 /nfs/dbraw/zinc/15/24/61/185152461.db2.gz LQFJUPVDCOTFJZ-UHFFFAOYSA-N -1 0 291.303 2.714 50 0 CFAARM CCC(CC)(CNC(=O)c1ccccc1Cl)C(=O)[O-] ZINC000097020609 185152877 /nfs/dbraw/zinc/15/28/77/185152877.db2.gz NICBRDZZICGHDM-UHFFFAOYSA-N -1 0 283.755 2.961 50 0 CFAARM CCN(C[C@H](C)C(=O)[O-])C(=O)[C@H]1C[C@@H]1c1sccc1C ZINC000097036009 185157892 /nfs/dbraw/zinc/15/78/92/185157892.db2.gz WQMPZTLEVQHQDS-SRVKXCTJSA-N -1 0 295.404 2.729 50 0 CFAARM O=C([O-])c1cccc(C(=O)N2CCC[C@@H]2c2ccco2)c1 ZINC000097036733 185166180 /nfs/dbraw/zinc/16/61/80/185166180.db2.gz CGJFWOVVDCCGGP-CYBMUJFWSA-N -1 0 285.299 2.955 50 0 CFAARM CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2F)o1 ZINC000097036424 185166200 /nfs/dbraw/zinc/16/62/00/185166200.db2.gz BOTLASFMDXNFDU-CYBMUJFWSA-N -1 0 291.278 2.537 50 0 CFAARM 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O=C([O-])CSc1ncnc2c3ccccc3oc21 ZINC000003442028 371800520 /nfs/dbraw/zinc/80/05/20/371800520.db2.gz HALDSIZWNUXVID-UHFFFAOYSA-N -1 0 260.274 2.553 50 0 CFAARM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(CC(=O)[O-])O2 ZINC000003875212 371820143 /nfs/dbraw/zinc/82/01/43/371820143.db2.gz IETSMPQISKAPQX-OAHLLOKOSA-N -1 0 264.321 2.876 50 0 CFAARM Cc1ccc(-c2nc(N)sc2CC(=O)[O-])cc1C ZINC000003888901 371822314 /nfs/dbraw/zinc/82/23/14/371822314.db2.gz KPWQEBRONVVIER-UHFFFAOYSA-N -1 0 262.334 2.636 50 0 CFAARM O=Cc1cc([O-])c(Br)cc1Br ZINC000004599769 371867900 /nfs/dbraw/zinc/86/79/00/371867900.db2.gz YYYLLTIYDVSUDA-UHFFFAOYSA-N -1 0 279.915 2.730 50 0 CFAARM CCCC[C@H](CC)CNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004628828 371869668 /nfs/dbraw/zinc/86/96/68/371869668.db2.gz CUYCAGPKVMGGHF-MJBXVCDLSA-N -1 0 281.396 2.986 50 0 CFAARM O=C([O-])CSCc1ccc(Br)cc1 ZINC000004693831 371873427 /nfs/dbraw/zinc/87/34/27/371873427.db2.gz RUCGXYOZVAWYCS-UHFFFAOYSA-N -1 0 261.140 2.767 50 0 CFAARM CC(C)CN(CC(C)C)C(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005384242 371881177 /nfs/dbraw/zinc/88/11/77/371881177.db2.gz YLAGJWGOEZXDAV-UONOGXRCSA-N -1 0 281.396 2.794 50 0 CFAARM CCOc1cc2c(c3[nH]c(C(=O)[O-])cc31)O[C@@H](C)C2 ZINC000004218756 371842555 /nfs/dbraw/zinc/84/25/55/371842555.db2.gz HMLGGFSSMVUDLA-ZETCQYMHSA-N -1 0 261.277 2.588 50 0 CFAARM C[C@@H]1Oc2ccccc2N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000004226855 371842689 /nfs/dbraw/zinc/84/26/89/371842689.db2.gz ZLBIQEXHJCYRFW-NSHDSACASA-N -1 0 297.310 2.699 50 0 CFAARM COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000010301845 371906280 /nfs/dbraw/zinc/90/62/80/371906280.db2.gz OBCGPOCVROUJKH-UHFFFAOYSA-N -1 0 295.335 2.944 50 0 CFAARM COc1ccc([C@H](Nc2ccccc2)[P@@](=O)([O-])O)cc1 ZINC000012536999 371971452 /nfs/dbraw/zinc/97/14/52/371971452.db2.gz MLUFSZVDXJQEKP-CQSZACIVSA-N -1 0 293.259 2.984 50 0 CFAARM Cc1ccc(F)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000012774351 371985676 /nfs/dbraw/zinc/98/56/76/371985676.db2.gz AWMOJVUHRNHKJO-RYUDHWBXSA-N -1 0 277.295 2.740 50 0 CFAARM CC(C)C[C@H](C[P@@](=O)([O-])[C@@H]([NH3+])c1ccccc1)C(=O)[O-] ZINC000012888865 371994425 /nfs/dbraw/zinc/99/44/25/371994425.db2.gz RUYPIGFYJMPICK-CHWSQXEVSA-N -1 0 299.307 2.661 50 0 in-vitro CFAARM O=C([O-])C1CCN(C(=O)/C=C/c2ccc(Cl)cc2)CC1 ZINC000013167000 372018579 /nfs/dbraw/zinc/01/85/79/372018579.db2.gz MPNYPZZIIDCHRO-ZZXKWVIFSA-N -1 0 293.750 2.676 50 0 CFAARM O=C([O-])C[C@H](NC(=O)C1CCC1)c1ccccc1Cl ZINC000013172645 372019859 /nfs/dbraw/zinc/01/98/59/372019859.db2.gz QOPJTQDYBLYUNE-LBPRGKRZSA-N -1 0 281.739 2.772 50 0 CFAARM O=C([O-])C[C@@H](NC(=O)C1CCC1)c1ccc(Cl)cc1 ZINC000013173774 372020351 /nfs/dbraw/zinc/02/03/51/372020351.db2.gz NPWVZYXLFJOSOD-GFCCVEGCSA-N -1 0 281.739 2.772 50 0 CFAARM C[C@H](CC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccccc1 ZINC000013170733 372020448 /nfs/dbraw/zinc/02/04/48/372020448.db2.gz HCWBUTMLHCFXFB-OCCSQVGLSA-N -1 0 275.348 2.503 50 0 CFAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1 ZINC000013225021 372020461 /nfs/dbraw/zinc/02/04/61/372020461.db2.gz YSYWLTBNPLBGLX-KGLIPLIRSA-N -1 0 273.332 2.675 50 0 CFAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1cccc(F)c1 ZINC000013324022 372022902 /nfs/dbraw/zinc/02/29/02/372022902.db2.gz UGXVOLFSVKRLSU-TWZWYRAHSA-N -1 0 291.322 2.901 50 0 CFAARM CCCCCC(=O)N[C@@H](CC(=O)[O-])c1cccs1 ZINC000013389834 372026483 /nfs/dbraw/zinc/02/64/83/372026483.db2.gz XYHNCLVZAQEPDI-JTQLQIEISA-N -1 0 269.366 2.960 50 0 CFAARM Cc1nc(COc2ccccc2Cl)[n-]c(=O)c1Cl ZINC000013469775 372028770 /nfs/dbraw/zinc/02/87/70/372028770.db2.gz YEOUMCKKQMNJRV-UHFFFAOYSA-N -1 0 285.130 2.964 50 0 CFAARM CS(=O)(=O)c1ccc(-c2ccc(C(=O)[O-])s2)cc1 ZINC000013535841 372031427 /nfs/dbraw/zinc/03/14/27/372031427.db2.gz MTLLCRVVYQSLIO-UHFFFAOYSA-N -1 0 282.342 2.517 50 0 CFAARM Cc1ccc(C(=O)[O-])c(OCC(=O)NC2CCCCC2)c1 ZINC000013084516 372012627 /nfs/dbraw/zinc/01/26/27/372012627.db2.gz QPJQOWQWNXBVNY-UHFFFAOYSA-N -1 0 291.347 2.521 50 0 CFAARM Cc1cc(COc2ccc(Cl)cc2C(=O)[O-])no1 ZINC000013035666 372012772 /nfs/dbraw/zinc/01/27/72/372012772.db2.gz FHCJBIDEBHMBER-UHFFFAOYSA-N -1 0 267.668 2.914 50 0 CFAARM O=C(c1cnn(-c2ccc(F)cc2)c1)c1ccccc1[O-] ZINC000014226969 372065456 /nfs/dbraw/zinc/06/54/56/372065456.db2.gz UUPIOCZRMSXKQP-UHFFFAOYSA-N -1 0 282.274 2.948 50 0 CFAARM CCCC(=O)Nc1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000014838908 372075450 /nfs/dbraw/zinc/07/54/50/372075450.db2.gz NQYALWFVXWRKMW-UHFFFAOYSA-N -1 0 292.335 2.619 50 0 CFAARM CC[C@@H](C)Oc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1Cl ZINC000015012877 372077326 /nfs/dbraw/zinc/07/73/26/372077326.db2.gz OCYVBRVPYQVYNR-XNYAHFKXSA-N -1 0 294.738 2.698 50 0 CFAARM O=c1[n-]c(Nc2cccc(F)c2)nnc1Cc1ccccc1 ZINC000016806849 372120030 /nfs/dbraw/zinc/12/00/30/372120030.db2.gz SGQDYBHJGFWASA-UHFFFAOYSA-N -1 0 296.305 2.638 50 0 CFAARM CC(C)(C)OC(=O)N(CCC(=O)[O-])C1CCCC1 ZINC000015443028 372085620 /nfs/dbraw/zinc/08/56/20/372085620.db2.gz MTWOCVWWQJRBKC-UHFFFAOYSA-N -1 0 257.330 2.641 50 0 CFAARM CC[C@H](C)[C@@H](NC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000015998922 372097966 /nfs/dbraw/zinc/09/79/66/372097966.db2.gz QMHHHSZFGIQJDE-GZMMTYOYSA-N -1 0 284.743 2.961 50 0 CFAARM Cc1nc2[n-]c(C(F)(F)F)nn2c(=O)c1CCC(C)C ZINC000018222204 372145548 /nfs/dbraw/zinc/14/55/48/372145548.db2.gz SIIKXPMXPXHRIP-UHFFFAOYSA-N -1 0 288.273 2.746 50 0 CFAARM O=C([O-])CCNc1ncc(C(F)(F)F)cc1Cl ZINC000019505076 372169491 /nfs/dbraw/zinc/16/94/91/372169491.db2.gz NFAWCGNEVAXAQK-UHFFFAOYSA-N -1 0 268.622 2.640 50 0 CFAARM CCc1cc2c([n-]c(=S)n(C[C@H]3CCCO3)c2=O)s1 ZINC000017024106 372126636 /nfs/dbraw/zinc/12/66/36/372126636.db2.gz LUFVFIGXIWQORK-MRVPVSSYSA-N -1 0 296.417 2.862 50 0 CFAARM O=C([O-])c1ccc(Oc2nccnc2N2CCCCC2)cc1 ZINC000021731062 372242502 /nfs/dbraw/zinc/24/25/02/372242502.db2.gz QWGYEVFMLUQBKL-UHFFFAOYSA-N -1 0 299.330 2.957 50 0 CFAARM Cc1ccccc1-n1nnc(C(=O)[O-])c1-c1ccco1 ZINC000019813403 372191808 /nfs/dbraw/zinc/19/18/08/372191808.db2.gz IKYMZOQWHJBHKE-UHFFFAOYSA-N -1 0 269.260 2.534 50 0 CFAARM Cc1ccc([C@H](C)NC(=O)CC(C)(C)CC(=O)[O-])o1 ZINC000029010686 372372570 /nfs/dbraw/zinc/37/25/70/372372570.db2.gz ODTUXVVJICNGSO-JTQLQIEISA-N -1 0 267.325 2.656 50 0 CFAARM Cc1cc(CN(C)C(=O)c2ccc([O-])c(Cl)c2)no1 ZINC000030682321 372396251 /nfs/dbraw/zinc/39/62/51/372396251.db2.gz HCIBIWRSADMSOF-UHFFFAOYSA-N -1 0 280.711 2.614 50 0 CFAARM Cc1ccc(CCCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)s1 ZINC000237692755 189887356 /nfs/dbraw/zinc/88/73/56/189887356.db2.gz COXCWUOKFFUHAZ-OAHLLOKOSA-N -1 0 295.404 2.702 50 0 CFAARM Cc1ccc(C(=O)c2cc(/C=C/C(=O)[O-])n(C)c2)cc1 ZINC000033818908 372500015 /nfs/dbraw/zinc/50/00/15/372500015.db2.gz XLEKJHUTDJCLHP-BQYQJAHWSA-N -1 0 269.300 2.662 50 0 CFAARM CC(C)(C)OC(=O)C[C@H](Cc1ccccc1)C(=O)[O-] ZINC000034099911 372504821 /nfs/dbraw/zinc/50/48/21/372504821.db2.gz TWMRLCPQQCHIBH-LBPRGKRZSA-N -1 0 264.321 2.662 50 0 CFAARM O=C([O-])CC1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000034927232 372516887 /nfs/dbraw/zinc/51/68/87/372516887.db2.gz VYHKDHOWJOSDNQ-UHFFFAOYSA-N -1 0 281.739 2.667 50 0 CFAARM O=C([O-])c1cnn(-c2cccc(F)c2)c1C(F)(F)F ZINC000036016372 372554231 /nfs/dbraw/zinc/55/42/31/372554231.db2.gz DQFNNZACWHABEG-UHFFFAOYSA-N -1 0 274.173 2.728 50 0 CFAARM O=Cc1cccc(O[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000036984039 372623384 /nfs/dbraw/zinc/62/33/84/372623384.db2.gz PHEHCULHBCXQKW-CQSZACIVSA-N -1 0 256.257 2.704 50 0 CFAARM CC(C)(C)NC(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000037641981 372678691 /nfs/dbraw/zinc/67/86/91/372678691.db2.gz CDMIDRRQJYBWSO-UHFFFAOYSA-N -1 0 270.716 2.958 50 0 CFAARM O=C([O-])CN(C(=O)c1ccc(Cl)cc1Cl)C1CC1 ZINC000037654470 372686231 /nfs/dbraw/zinc/68/62/31/372686231.db2.gz MLCIOYDPFBZNOL-UHFFFAOYSA-N -1 0 288.130 2.683 50 0 CFAARM O=C([O-])[C@H](c1ccccc1)n1sc2ccccc2c1=O ZINC000041105515 372813780 /nfs/dbraw/zinc/81/37/80/372813780.db2.gz RLULBIWQZOAADG-ZDUSSCGKSA-N -1 0 285.324 2.737 50 0 CFAARM CC(C)(C)OC(=O)N[C@H]1CCCCCC[C@@H]1C(=O)[O-] ZINC000041701909 372859250 /nfs/dbraw/zinc/85/92/50/372859250.db2.gz XCJDZYKLPCSUNZ-QWRGUYRKSA-N -1 0 271.357 2.935 50 0 CFAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000238100397 189899268 /nfs/dbraw/zinc/89/92/68/189899268.db2.gz SEWDDZYIVTWGRH-INIZCTEOSA-N -1 0 295.338 2.900 50 0 CFAARM CC(C)CN(C(=O)c1ccc(C(=O)[O-])cc1)C1CC1 ZINC000042560652 372933977 /nfs/dbraw/zinc/93/39/77/372933977.db2.gz UFWYNLITFNLNDA-UHFFFAOYSA-N -1 0 261.321 2.645 50 0 CFAARM CN(CCCC(=O)[O-])C(=O)c1csc2ccccc12 ZINC000042880947 372963767 /nfs/dbraw/zinc/96/37/67/372963767.db2.gz YPRNDFBMNABIKY-UHFFFAOYSA-N -1 0 277.345 2.838 50 0 CFAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)NC1CCCCC1 ZINC000013320526 304174342 /nfs/dbraw/zinc/17/43/42/304174342.db2.gz RPAPUTWGIZNASH-QUINOFQRSA-N -1 0 279.380 2.572 50 0 CFAARM O=C(Nc1ccccn1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000044917316 284373868 /nfs/dbraw/zinc/37/38/68/284373868.db2.gz YIANSCKCLWPBBO-UHFFFAOYSA-N -1 0 298.327 2.645 50 0 CFAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 ZINC000006864700 304176047 /nfs/dbraw/zinc/17/60/47/304176047.db2.gz NEQJXRWMLMJVQQ-OWCLPIDISA-N -1 0 299.370 2.847 50 0 CFAARM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1ccccc1F ZINC000050921051 373384401 /nfs/dbraw/zinc/38/44/01/373384401.db2.gz DHQOQFZFJNNOCD-CYBMUJFWSA-N -1 0 293.338 2.614 50 0 CFAARM O=C([O-])[C@H]1CCCCN1C(=O)C[C@H]1CCc2ccccc21 ZINC000097050026 304177091 /nfs/dbraw/zinc/17/70/91/304177091.db2.gz RODFZZLFJSZSIG-UKRRQHHQSA-N -1 0 287.359 2.572 50 0 CFAARM O=C([O-])c1nccnc1Oc1ccccc1Cl ZINC000054552857 373526970 /nfs/dbraw/zinc/52/69/70/373526970.db2.gz XLGSCOVCEFZUSU-UHFFFAOYSA-N -1 0 250.641 2.621 50 0 CFAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]1 ZINC000177889721 304178413 /nfs/dbraw/zinc/17/84/13/304178413.db2.gz KVFSHDDVJOARET-OAHLLOKOSA-N -1 0 298.342 2.761 50 0 CFAARM O=C(CCc1ccco1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000060372923 373693039 /nfs/dbraw/zinc/69/30/39/373693039.db2.gz RHLAWXZLKBNZKG-UHFFFAOYSA-N -1 0 299.286 2.607 50 0 CFAARM COc1ccc(F)cc1[C@H](C)NC(=O)C[C@H](C)CC(=O)[O-] ZINC000061835842 373730599 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374218995 /nfs/dbraw/zinc/21/89/95/374218995.db2.gz HIWGGGGXNDHPEE-UHFFFAOYSA-N -1 0 293.120 2.913 50 0 CFAARM CCOc1cc(C(=O)[O-])nc2c(C)cc(OC)cc12 ZINC000071775324 374224051 /nfs/dbraw/zinc/22/40/51/374224051.db2.gz CAPZWEWYLGWLID-UHFFFAOYSA-N -1 0 261.277 2.649 50 0 CFAARM CC(C)OC(=O)N1CC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072418566 374249908 /nfs/dbraw/zinc/24/99/08/374249908.db2.gz PTCDYHAKQKXCGI-CYBMUJFWSA-N -1 0 291.347 2.794 50 0 CFAARM CNc1cc(-c2ccc(C(=O)[O-])cc2)c2cc[nH]c2n1 ZINC000072425988 374251151 /nfs/dbraw/zinc/25/11/51/374251151.db2.gz YXQNMFGMCUNVAR-UHFFFAOYSA-N -1 0 267.288 2.970 50 0 CFAARM CC1(C)S[C@H](c2cccc3[nH]ccc32)N[C@H]1C(=O)[O-] ZINC000074938368 374449558 /nfs/dbraw/zinc/44/95/58/374449558.db2.gz HXLWQMPGAYSWGU-NWDGAFQWSA-N -1 0 276.361 2.735 50 0 CFAARM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@]1(C)C(=O)[O-] ZINC000090225722 375006323 /nfs/dbraw/zinc/00/63/23/375006323.db2.gz IXJBTLDTKNSTOS-NOZJJQNGSA-N -1 0 257.330 2.545 50 0 CFAARM O=C([O-])c1ccc(CNC(=O)CCC2CCCC2)o1 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393820597 /nfs/dbraw/zinc/82/05/97/393820597.db2.gz UVKFMAXHFAQACU-KRZKBDHCSA-N -1 0 279.361 2.535 50 0 CFAARM Cc1cc(C(=O)[N-]c2nonc2-c2ccc(C)cc2)on1 ZINC000096425566 393829282 /nfs/dbraw/zinc/82/92/82/393829282.db2.gz QZJHIHWUGBLRAS-UHFFFAOYSA-N -1 0 284.275 2.594 50 0 CFAARM CC1=C(C)C[C@H]2C(=O)N(c3cccc(C(=O)[O-])c3)C(=O)[C@@H]2C1 ZINC000103052854 393853657 /nfs/dbraw/zinc/85/36/57/393853657.db2.gz GJBNWNVBAIPCRB-ZIAGYGMSSA-N -1 0 299.326 2.621 50 0 CFAARM Cc1ccc(CN2C(=O)COc3ccc(C(=O)[O-])cc32)cc1 ZINC000032918678 134769957 /nfs/dbraw/zinc/76/99/57/134769957.db2.gz NFYIPNPRNDJFIP-UHFFFAOYSA-N -1 0 297.310 2.619 50 0 CFAARM COC(=O)c1scc2c1[n-]c(C(F)(F)F)cc2=O ZINC000012470613 292042153 /nfs/dbraw/zinc/04/21/53/292042153.db2.gz DFQIXQDYVCVGCQ-UHFFFAOYSA-N -1 0 277.223 2.807 50 0 CFAARM CCCN(CC(F)(F)F)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000042797091 543063082 /nfs/dbraw/zinc/06/30/82/543063082.db2.gz DFHQCQKYUQUYBN-UHFFFAOYSA-N -1 0 289.253 2.799 50 0 CFAARM 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ZINC000006706651 170231268 /nfs/dbraw/zinc/23/12/68/170231268.db2.gz ROIVYKBIWMKMDB-UHFFFAOYSA-N -1 0 299.298 2.774 50 0 CFAARM Cc1ccccc1Cc1c(C)nc2c(C(=O)[O-])cnn2c1C ZINC000006921125 170255417 /nfs/dbraw/zinc/25/54/17/170255417.db2.gz UOFDVGIFEPSYOA-UHFFFAOYSA-N -1 0 295.342 2.944 50 0 CFAARM COc1ccc(-c2cc(=O)n(-c3ccccc3)[n-]2)cc1 ZINC000009482106 170378190 /nfs/dbraw/zinc/37/81/90/170378190.db2.gz JSJKAIQJGDEDOI-UHFFFAOYSA-N -1 0 266.300 2.836 50 0 CFAARM CC[C@@H](C(=O)[O-])n1cc(Cl)c(C(F)(F)F)n1 ZINC000012357638 170478838 /nfs/dbraw/zinc/47/88/38/170478838.db2.gz NEKKYQSMOFNZEV-YFKPBYRVSA-N -1 0 256.611 2.591 50 0 CFAARM CC(C)(C)OC(=O)Nc1ncccc1C=CC(=O)[O-] ZINC000014806853 170646205 /nfs/dbraw/zinc/64/62/05/170646205.db2.gz RRPISZGWNFATFD-VOTSOKGWSA-N -1 0 264.281 2.526 50 0 CFAARM CCc1ccc(OCCSc2nnc(C)c(=O)[n-]2)cc1 ZINC000016622734 170706010 /nfs/dbraw/zinc/70/60/10/170706010.db2.gz ZUEVJIYSYGMOOU-UHFFFAOYSA-N -1 0 291.376 2.619 50 0 CFAARM O=C([O-])Cc1cccc(NC(=O)c2ccc(F)cc2)c1 ZINC000020226919 171091590 /nfs/dbraw/zinc/09/15/90/171091590.db2.gz VAFQKCHUMSHSCA-UHFFFAOYSA-N -1 0 273.263 2.705 50 0 CFAARM O=C([O-])Cc1cccc(NC(=O)Cc2ccc(F)cc2)c1 ZINC000020226934 171092217 /nfs/dbraw/zinc/09/22/17/171092217.db2.gz YREMJXMXRDSKGD-UHFFFAOYSA-N -1 0 287.290 2.634 50 0 CFAARM O=C([O-])c1ccc(NC(=O)Cc2ccsc2)cc1 ZINC000020249360 171101682 /nfs/dbraw/zinc/10/16/82/171101682.db2.gz GKMGKHJDAVPINC-UHFFFAOYSA-N -1 0 261.302 2.628 50 0 CFAARM Cc1noc(C)c1COc1ccccc1/C=C/C(=O)[O-] ZINC000020526564 171239927 /nfs/dbraw/zinc/23/99/27/171239927.db2.gz SLDWWPSTPMOYFV-BQYQJAHWSA-N -1 0 273.288 2.968 50 0 CFAARM O=C([O-])c1ccc2c(c1)ncn2Cc1cccs1 ZINC000021499879 171304488 /nfs/dbraw/zinc/30/44/88/171304488.db2.gz VQHLDOQOQOBBBX-UHFFFAOYSA-N -1 0 258.302 2.844 50 0 CFAARM C[C@H](c1ccccc1)n1ncc2cc(C(=O)[O-])cnc21 ZINC000022142222 171355422 /nfs/dbraw/zinc/35/54/22/171355422.db2.gz LPBQSRGEAVUYPB-SNVBAGLBSA-N -1 0 267.288 2.739 50 0 CFAARM CCC(CC)(CC(=O)Nc1ccc(OC)c(O)c1)C(=O)[O-] ZINC000022730326 171396678 /nfs/dbraw/zinc/39/66/78/171396678.db2.gz XLRVJNVFVGLVHK-UHFFFAOYSA-N -1 0 295.335 2.620 50 0 CFAARM CN(C)c1c(CC(=O)[O-])cccc1C(=O)c1ccccc1 ZINC000026383672 171481248 /nfs/dbraw/zinc/48/12/48/171481248.db2.gz YWLBYZXTJKMZPN-UHFFFAOYSA-N -1 0 283.327 2.611 50 0 CFAARM S=c1[n-]n2c(nnc2-c2ccc(Cl)cc2)s1 ZINC000027525970 171519791 /nfs/dbraw/zinc/51/97/91/171519791.db2.gz OXQWYKUKTLUOEP-UHFFFAOYSA-N -1 0 268.754 2.795 50 0 CFAARM Cc1c(C(=O)[O-])cnn1-c1ccc(Cl)cc1F ZINC000036047710 172430857 /nfs/dbraw/zinc/43/08/57/172430857.db2.gz FHPUXCOYCHVOGG-UHFFFAOYSA-N -1 0 254.648 2.671 50 0 CFAARM O=C([O-])c1c[nH]cc1-c1cc(Cl)c2c(c1)OCCO2 ZINC000037245211 173059396 /nfs/dbraw/zinc/05/93/96/173059396.db2.gz HXTGUVBRTNCBSX-UHFFFAOYSA-N -1 0 279.679 2.805 50 0 CFAARM O=C([O-])C1CCC(NC(=O)c2cc(Cl)ccc2F)CC1 ZINC000037561290 173271154 /nfs/dbraw/zinc/27/11/54/173271154.db2.gz VQTLCTBGXVFETG-UHFFFAOYSA-N -1 0 299.729 2.852 50 0 CFAARM CCN(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1ccccc1 ZINC000040549749 174326885 /nfs/dbraw/zinc/32/68/85/174326885.db2.gz FIZUFGHCBLRKMC-CYBMUJFWSA-N -1 0 278.352 2.722 50 0 CFAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000043583325 175070327 /nfs/dbraw/zinc/07/03/27/175070327.db2.gz MMHMJKZRPFAEKU-LLVKDONJSA-N -1 0 279.311 2.543 50 0 CFAARM O=C([O-])CC[C@H]1CCCN(C(=O)/C=C/c2cccs2)C1 ZINC000043583674 175070659 /nfs/dbraw/zinc/07/06/59/175070659.db2.gz ABDCDBZHMZIGCP-NNNHXZLVSA-N -1 0 293.388 2.865 50 0 CFAARM Cc1cccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)c1 ZINC000043585892 175071784 /nfs/dbraw/zinc/07/17/84/175071784.db2.gz MXMWXBRTLMWIIO-UHFFFAOYSA-N -1 0 287.344 2.672 50 0 CFAARM CCn1c(-c2cccc(C(=O)[O-])c2)nc2cccnc21 ZINC000045796152 175383886 /nfs/dbraw/zinc/38/38/86/175383886.db2.gz IAAYJZCAVNAHAB-UHFFFAOYSA-N -1 0 267.288 2.816 50 0 CFAARM CC(C)N1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(Cl)cc1 ZINC000045922860 175386851 /nfs/dbraw/zinc/38/68/51/175386851.db2.gz YPBZKLKAUXFMRL-YPMHNXCESA-N -1 0 281.739 2.723 50 0 CFAARM CC(C)N1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000045922862 175386903 /nfs/dbraw/zinc/38/69/03/175386903.db2.gz YPBZKLKAUXFMRL-WCQYABFASA-N -1 0 281.739 2.723 50 0 CFAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cccc(F)c1F ZINC000054188375 175555414 /nfs/dbraw/zinc/55/54/14/175555414.db2.gz QEHGKOWQXTTWRE-SNVBAGLBSA-N -1 0 297.301 2.824 50 0 CFAARM CC(C)=CC(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000071733696 176257479 /nfs/dbraw/zinc/25/74/79/176257479.db2.gz UZBJNYQRLPIKAE-CYBMUJFWSA-N -1 0 275.348 2.702 50 0 CFAARM Cc1ccc(C(=O)[O-])c(N2C[C@H]3[C@@H](C2)C2CCC3CC2)n1 ZINC000071749373 176259409 /nfs/dbraw/zinc/25/94/09/176259409.db2.gz RFKJTVJRMRFCOH-VWSDQGQDSA-N -1 0 286.375 2.961 50 0 CFAARM Cc1cc(C(=O)[O-])nc(Nc2ccc(C)c(C)c2)n1 ZINC000072240838 176348269 /nfs/dbraw/zinc/34/82/69/176348269.db2.gz URXJOEXJHRPRAV-UHFFFAOYSA-N -1 0 257.293 2.844 50 0 CFAARM Cn1nc(C(=O)[O-])c2c1nc(C(F)F)cc2C(F)F ZINC000072336344 176370954 /nfs/dbraw/zinc/37/09/54/176370954.db2.gz ZWBFGFDBSAHCPF-UHFFFAOYSA-N -1 0 277.177 2.542 50 0 CFAARM CSc1ccc([N-]S(=O)(=O)c2ccccc2)cn1 ZINC000078556799 177354329 /nfs/dbraw/zinc/35/43/29/177354329.db2.gz CFTDWNSNDLNBRR-UHFFFAOYSA-N -1 0 280.374 2.604 50 0 CFAARM CC[C@@](C)(CC(=O)[O-])NC(=O)C1CCCCCC1 ZINC000095989455 287384970 /nfs/dbraw/zinc/38/49/70/287384970.db2.gz RYRYPBIBCLUVOL-AWEZNQCLSA-N -1 0 255.358 2.716 50 0 CFAARM O=C(CCc1c[nH]c2ccccc12)Nc1ncccc1O ZINC000012644851 260063446 /nfs/dbraw/zinc/06/34/46/260063446.db2.gz APBJBIWSEJIBCC-UHFFFAOYSA-N -1 0 281.315 2.840 50 0 CFAARM Cc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1F ZINC000001078435 261195081 /nfs/dbraw/zinc/19/50/81/261195081.db2.gz PZYKBQWTAOQDBN-VXGBXAGGSA-N -1 0 279.311 2.964 50 0 CFAARM CC[C@H](C)[C@H](NC(=O)Nc1cccc(C(C)=O)c1)C(=O)[O-] ZINC000006224658 261367417 /nfs/dbraw/zinc/36/74/17/261367417.db2.gz OLHNMRGWBLNPKD-ZANVPECISA-N -1 0 292.335 2.510 50 0 CFAARM O=C([O-])/C=C/c1ccc(NC(=O)/C=C\c2ccncc2)cc1 ZINC000221725051 262292551 /nfs/dbraw/zinc/29/25/51/262292551.db2.gz 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261.321 2.825 50 0 CFAARM Cc1c(C(=O)[O-])cnn1-c1ccc(Br)cc1 ZINC000002532529 326797616 /nfs/dbraw/zinc/79/76/16/326797616.db2.gz XHUOEOFQYJPQOZ-UHFFFAOYSA-N -1 0 281.109 2.641 50 0 CFAARM CCN(CC)c1nc(SC)nc2cc(C(=O)[O-])ccc21 ZINC000032918929 326898330 /nfs/dbraw/zinc/89/83/30/326898330.db2.gz DDCZGKMEYVJWER-UHFFFAOYSA-N -1 0 291.376 2.896 50 0 CFAARM O=C([O-])CCc1cc(F)cc(OC(F)(F)F)c1 ZINC000084845487 327150922 /nfs/dbraw/zinc/15/09/22/327150922.db2.gz OXUSROHJYYUZSB-UHFFFAOYSA-N -1 0 252.163 2.742 50 0 CFAARM Cc1ccccc1-n1nc(C(=O)[O-])nc1-c1ccccc1 ZINC000020578351 333238002 /nfs/dbraw/zinc/23/80/02/333238002.db2.gz LISWXISONPBWCU-UHFFFAOYSA-N -1 0 279.299 2.941 50 0 CFAARM COc1c(C)c(C(=O)[O-])nn1-c1cccc(Cl)c1 ZINC000096517730 333238881 /nfs/dbraw/zinc/23/88/81/333238881.db2.gz VFCXRSRJHBYZEQ-UHFFFAOYSA-N -1 0 266.684 2.541 50 0 CFAARM C[C@@H]1CCC[C@H](C)N1C(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000239425984 524359021 /nfs/dbraw/zinc/35/90/21/524359021.db2.gz VOMKSZXVDGMLIR-UMNSNSEZSA-N 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UYMVJFMMFDDPIO-UHFFFAOYSA-N -1 0 279.336 2.668 50 0 CFAARM CC(C)(C)OC(=O)N[C@]1(C(=O)[O-])CCCC1(C)C ZINC000094310544 619105947 /nfs/dbraw/zinc/10/59/47/619105947.db2.gz ANRSMHSVTLETFB-ZDUSSCGKSA-N -1 0 257.330 2.545 50 0 CFAARM C[C@@H]1CCC[C@H](CC(=O)[O-])N1C(=O)OC(C)(C)C ZINC000958527469 619186338 /nfs/dbraw/zinc/18/63/38/619186338.db2.gz BXYHDJUZAYCCPG-NXEZZACHSA-N -1 0 257.330 2.639 50 0 CFAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc2cc(F)ccc2s1 ZINC000263331433 620134464 /nfs/dbraw/zinc/13/44/64/620134464.db2.gz QAFMMXJVFKMORU-WAAGHKOSSA-N -1 0 293.319 2.633 50 0 CFAARM O=C([O-])c1cccn1C1CCN(C(=O)OC2CCC2)CC1 ZINC000322590065 624124242 /nfs/dbraw/zinc/12/42/42/624124242.db2.gz UPAOPFYFULNQRD-UHFFFAOYSA-N -1 0 292.335 2.512 50 0 CFAARM Cc1ccccc1S(=O)(=O)[N-]c1nccnc1C(C)C ZINC000952992095 626122753 /nfs/dbraw/zinc/12/27/53/626122753.db2.gz AQDLLXWBPPTKAZ-UHFFFAOYSA-N -1 0 291.376 2.709 50 0 CFAARM CCC(CC)(CNC(=O)C1CCCCCC1)C(=O)[O-] ZINC000137626301 646965213 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185042876 /nfs/dbraw/zinc/04/28/76/185042876.db2.gz VLKQQBXMUDJESP-UHFFFAOYSA-N -1 0 287.319 2.589 50 0 CFAARM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000095965561 185045605 /nfs/dbraw/zinc/04/56/05/185045605.db2.gz ZPWAPKIZROZYSY-BXKDBHETSA-N -1 0 261.321 2.643 50 0 CFAARM O=C([O-])c1ccc(CCC(=O)N2C[C@H]3CC=CC[C@@H]3C2)cc1 ZINC000095969763 185048097 /nfs/dbraw/zinc/04/80/97/185048097.db2.gz NDLXFJPJCHUEDV-HZPDHXFCSA-N -1 0 299.370 2.742 50 0 CFAARM C[C@H](CC(=O)[O-])NC(=O)C(C)(C)c1cccc(Cl)c1 ZINC000095970363 185048520 /nfs/dbraw/zinc/04/85/20/185048520.db2.gz IEOJQWWYGGPVNH-SECBINFHSA-N -1 0 283.755 2.597 50 0 CFAARM Cc1ccc(/C=C/CC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000095989321 185057437 /nfs/dbraw/zinc/05/74/37/185057437.db2.gz VXYYQZZORDSCQR-NSCUHMNNSA-N -1 0 287.359 2.722 50 0 CFAARM C[C@@H](CC(=O)N[C@](C)(C(=O)[O-])C1CC1)c1cccc(F)c1 ZINC000095989599 185057633 /nfs/dbraw/zinc/05/76/33/185057633.db2.gz LTLJBJWDAGHVOH-QFYYESIMSA-N -1 0 293.338 2.689 50 0 CFAARM O=C([O-])c1cc(-c2cc(Br)ccc2F)[nH]n1 ZINC000083189238 178352786 /nfs/dbraw/zinc/35/27/86/178352786.db2.gz MCAYRQOBJXPEBA-UHFFFAOYSA-N -1 0 285.072 2.677 50 0 CFAARM CC(C)CNc1nccc(Nc2ccccc2C(=O)[O-])n1 ZINC000096693917 185109346 /nfs/dbraw/zinc/10/93/46/185109346.db2.gz DTKAENYWCNBFEB-UHFFFAOYSA-N -1 0 286.335 2.986 50 0 CFAARM O=C([O-])c1ccc(/C=C\C(=O)c2cccnc2)cc1 ZINC000096766345 185112357 /nfs/dbraw/zinc/11/23/57/185112357.db2.gz IQXPECCXGPDCCW-YVMONPNESA-N -1 0 253.257 2.676 50 0 CFAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1ccc(Cl)s1 ZINC000096480202 529493642 /nfs/dbraw/zinc/49/36/42/529493642.db2.gz XUJUCHXPBMFMJO-NSHDSACASA-N -1 0 275.757 2.775 50 0 CFAARM CCc1c([O-])nc(SC)n(-c2ccccc2C)c1=O ZINC000016662302 529498883 /nfs/dbraw/zinc/49/88/83/529498883.db2.gz JOOVESNUARVMNO-UHFFFAOYSA-N -1 0 276.361 2.531 50 0 CFAARM CC[C@@H](C)C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000069553969 346895554 /nfs/dbraw/zinc/89/55/54/346895554.db2.gz PTHNCEBWMFUZNL-DGCLKSJQSA-N -1 0 279.336 2.802 50 0 CFAARM C[C@H](Sc1ncccc1Nc1ccccn1)C(=O)[O-] ZINC000075286815 347064026 /nfs/dbraw/zinc/06/40/26/347064026.db2.gz YAKADAANYRNWDN-VIFPVBQESA-N -1 0 275.333 2.785 50 0 CFAARM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@H]1CCCO[C@@H]1C ZINC000668283763 539410019 /nfs/dbraw/zinc/41/00/19/539410019.db2.gz XFRGFIVAZSMQIU-NEPJUHHUSA-N -1 0 291.347 2.755 50 0 CFAARM CN(C)c1ccc(C=[NH+][N-]c2cccc(C(=O)[O-])c2)cc1 ZINC000015919673 346236873 /nfs/dbraw/zinc/23/68/73/346236873.db2.gz VJJXVBDYMKJSQJ-UHFFFAOYSA-N -1 0 283.331 2.897 50 0 CFAARM Cc1nc(C(C)C)sc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000078869513 347277109 /nfs/dbraw/zinc/27/71/09/347277109.db2.gz ATMOTIJBXBYNOV-JTQLQIEISA-N -1 0 296.392 2.654 50 0 CFAARM CC(C)(C)OC(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000138675122 347917385 /nfs/dbraw/zinc/91/73/85/347917385.db2.gz BVRFVGOIELRZBU-UHFFFAOYSA-N -1 0 250.294 2.659 50 0 CFAARM Cc1ccc(C)c(-c2n[nH]cc2CN2CC=C[C@H]2C(=O)[O-])c1 ZINC000230545770 348206693 /nfs/dbraw/zinc/20/66/93/348206693.db2.gz BCYYLVVRARTZOM-HNNXBMFYSA-N -1 0 297.358 2.519 50 0 CFAARM CC(C)[C@H](NC(=O)OC(C)(C)C)C(C)(C)C(=O)[O-] ZINC000238196013 348244615 /nfs/dbraw/zinc/24/46/15/348244615.db2.gz JOXATCFVTUFRBX-VIFPVBQESA-N -1 0 259.346 2.647 50 0 CFAARM O=C([O-])c1ccnc(Br)c1C(F)(F)F ZINC000238684824 348248519 /nfs/dbraw/zinc/24/85/19/348248519.db2.gz QEWUAUGXIWPVLW-UHFFFAOYSA-N -1 0 270.004 2.561 50 0 CFAARM O=C([O-])[C@@]1(CC2CC2)CCCN(c2nccs2)C1 ZINC000091770312 180248985 /nfs/dbraw/zinc/24/89/85/180248985.db2.gz GKJRTDOUCXKMKD-CYBMUJFWSA-N -1 0 266.366 2.614 50 0 CFAARM Cc1ccc(CN(C)C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000108655411 186226316 /nfs/dbraw/zinc/22/63/16/186226316.db2.gz VHGGWNCDLUDWNK-HUUCEWRRSA-N -1 0 289.375 2.844 50 0 CFAARM CN(Cc1cccc(F)c1)C(=O)[C@@H]1CCC[C@H](C(=O)[O-])C1 ZINC000108655422 186226353 /nfs/dbraw/zinc/22/63/53/186226353.db2.gz FDKCCUMBNAPDTN-OLZOCXBDSA-N -1 0 293.338 2.675 50 0 CFAARM O=C([O-])/C=C/c1coc2ccc(Cl)cc2c1=O ZINC000000096003 304023663 /nfs/dbraw/zinc/02/36/63/304023663.db2.gz 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371664490 /nfs/dbraw/zinc/66/44/90/371664490.db2.gz VYMDTTQXVUJZNM-UHFFFAOYSA-N -1 0 283.283 2.554 50 0 CFAARM CC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000001403909 371672231 /nfs/dbraw/zinc/67/22/31/371672231.db2.gz BELUZPNPZHXQII-HNNXBMFYSA-N -1 0 289.306 2.734 50 0 CFAARM CC(C)[C@@H](Nc1ncnc2c3ccccc3oc21)C(=O)[O-] ZINC000000572987 371641896 /nfs/dbraw/zinc/64/18/96/371641896.db2.gz VSLCYLCCKSPVLU-LLVKDONJSA-N -1 0 285.303 2.897 50 0 CFAARM CCc1cc2c(ncnc2N2CCC(C(=O)[O-])CC2)s1 ZINC000000873809 371651793 /nfs/dbraw/zinc/65/17/93/371651793.db2.gz KRIYKEFBEAZEGL-UHFFFAOYSA-N -1 0 291.376 2.555 50 0 CFAARM CCCCc1c(O)c(C(C)=O)cc(C(C)=O)c1O ZINC000002144817 371716968 /nfs/dbraw/zinc/71/69/68/371716968.db2.gz GDGHNYQYNKMDPY-UHFFFAOYSA-N -1 0 250.294 2.846 50 0 CFAARM Cc1ccc2c(c1)C([O-])=C[C@](O)(C(F)(F)C(F)(F)F)O2 ZINC000002237689 371720738 /nfs/dbraw/zinc/72/07/38/371720738.db2.gz UZRCKFQPNBTNKF-SNVBAGLBSA-N -1 0 296.191 2.846 50 0 CFAARM Cc1ccc(CN(C(=O)CCC(=O)[O-])C(C)(C)C)cc1 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CFAARM Cc1cc(Br)ccc1SCC(=O)[O-] ZINC000003098860 371772767 /nfs/dbraw/zinc/77/27/67/371772767.db2.gz QHBXVUSHFQLTOB-UHFFFAOYSA-N -1 0 261.140 2.934 50 0 CFAARM Cn1cc(-c2ccccc2C(=O)[O-])c(=O)c2ccccc21 ZINC000003126823 371773602 /nfs/dbraw/zinc/77/36/02/371773602.db2.gz WEFLANDBXLRUSP-UHFFFAOYSA-N -1 0 279.295 2.904 50 0 CFAARM Cc1ccc(S(=O)(=O)[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000003130540 371775951 /nfs/dbraw/zinc/77/59/51/371775951.db2.gz BQCCZVLCOKHIFM-CQSZACIVSA-N -1 0 290.340 2.595 50 0 CFAARM O=C([O-])/C(=C\C=C\c1ccco1)NC(=O)c1ccccc1 ZINC000003153813 371776342 /nfs/dbraw/zinc/77/63/42/371776342.db2.gz WMRRLQNZJMTUTG-QXAPVUDZSA-N -1 0 283.283 2.691 50 0 CFAARM CCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000004085402 371832419 /nfs/dbraw/zinc/83/24/19/371832419.db2.gz KHXCQUSPYYEVLX-UKRRQHHQSA-N -1 0 275.348 2.851 50 0 CFAARM Cc1noc2ncc(C(=O)c3cc(F)ccc3[O-])cc12 ZINC000003426094 371798724 /nfs/dbraw/zinc/79/87/24/371798724.db2.gz JYEZUXFOCZJKBM-UHFFFAOYSA-N -1 0 272.235 2.607 50 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2.847 50 0 CFAARM O=C([O-])c1cc(Cl)cc(Br)c1O ZINC000004662071 371871350 /nfs/dbraw/zinc/87/13/50/371871350.db2.gz XDHJZXVJIHAQIU-UHFFFAOYSA-N -1 0 251.463 2.506 50 0 CFAARM O=C([O-])c1ccccc1C(=O)NCc1ccccc1Cl ZINC000004675958 371871928 /nfs/dbraw/zinc/87/19/28/371871928.db2.gz SADGXAYKDYFNTN-UHFFFAOYSA-N -1 0 289.718 2.968 50 0 CFAARM Cc1ccc(S(=O)(=O)C=C([O-])c2cccs2)cc1 ZINC000004740834 371873445 /nfs/dbraw/zinc/87/34/45/371873445.db2.gz VMGKYVWQYZFQMG-UHFFFAOYSA-N -1 0 280.370 2.713 50 0 CFAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1 ZINC000004690870 371873763 /nfs/dbraw/zinc/87/37/63/371873763.db2.gz LDKIZWOJQDDRKE-QMMMGPOBSA-N -1 0 255.701 2.779 50 0 CFAARM CC(C)[C@@H](CCC(=O)NC1CCCCC1)C(=O)[O-] ZINC000004827620 371876158 /nfs/dbraw/zinc/87/61/58/371876158.db2.gz SEHXCOTYDLTHEY-GFCCVEGCSA-N -1 0 255.358 2.572 50 0 CFAARM CCCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000004133034 371836235 /nfs/dbraw/zinc/83/62/35/371836235.db2.gz CGELAGQAQFTJJP-NSHDSACASA-N -1 0 269.728 2.713 50 0 biogenic,in-vitro CFAARM COc1ccc(C)cc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000004197475 371840037 /nfs/dbraw/zinc/84/00/37/371840037.db2.gz QMAXCKLCCMYNSM-VXGBXAGGSA-N -1 0 291.347 2.833 50 0 CFAARM O=c1c2ccc(Cl)cc2[n-]c(=S)n1C[C@@H]1CCCO1 ZINC000006509246 371890732 /nfs/dbraw/zinc/89/07/32/371890732.db2.gz PIDANLYQPDAYQQ-VIFPVBQESA-N -1 0 296.779 2.518 50 0 CFAARM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000008699237 371897809 /nfs/dbraw/zinc/89/78/09/371897809.db2.gz KEWYECRQALNJJM-CHWSQXEVSA-N -1 0 291.347 2.722 50 0 CFAARM COc1ccc(O[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000011802669 371928695 /nfs/dbraw/zinc/92/86/95/371928695.db2.gz SAONIQICQBDONF-CQSZACIVSA-N -1 0 258.273 2.900 50 0 CFAARM O=C([O-])c1cc(Cl)ccc1NC(=O)c1cccnc1 ZINC000012421340 371962313 /nfs/dbraw/zinc/96/23/13/371962313.db2.gz GAOPIDKIYMTIDN-UHFFFAOYSA-N -1 0 276.679 2.686 50 0 CFAARM CN(C)c1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000012555230 371976531 /nfs/dbraw/zinc/97/65/31/371976531.db2.gz HXVBKZDGGSGFLK-UHFFFAOYSA-N -1 0 284.315 2.703 50 0 CFAARM COc1ccc(C)cc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000012685944 371980553 /nfs/dbraw/zinc/98/05/53/371980553.db2.gz JLIWZHRLBFKJJN-UHFFFAOYSA-N -1 0 291.347 2.977 50 0 CFAARM COc1ccc(-c2cc(=O)n(Cc3ccccc3)[n-]2)cc1 ZINC000012346633 371953085 /nfs/dbraw/zinc/95/30/85/371953085.db2.gz CUNDSKRCDBLQOB-UHFFFAOYSA-N -1 0 280.327 2.832 50 0 CFAARM O=C([O-])c1ccccc1SCC(=O)NC1CCCC1 ZINC000012930860 372001148 /nfs/dbraw/zinc/00/11/48/372001148.db2.gz GVSCMWDAXSBJRM-UHFFFAOYSA-N -1 0 279.361 2.536 50 0 CFAARM O=C([O-])C1CCN(C(=O)CCc2ccccc2Cl)CC1 ZINC000013167287 372018494 /nfs/dbraw/zinc/01/84/94/372018494.db2.gz AQLXTNZPZRNUDN-UHFFFAOYSA-N -1 0 295.766 2.596 50 0 CFAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000013260816 372021978 /nfs/dbraw/zinc/02/19/78/372021978.db2.gz SOAXWJQEMQKGNE-LBPRGKRZSA-N -1 0 295.766 2.596 50 0 CFAARM O=[P@]([O-])(O)[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000013441048 372025837 /nfs/dbraw/zinc/02/58/37/372025837.db2.gz FUFUIWVQOLNOEL-CYBMUJFWSA-N -1 0 264.217 2.522 50 0 CFAARM Cc1ccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1C ZINC000013955124 372055210 /nfs/dbraw/zinc/05/52/10/372055210.db2.gz NWQJXEWBSOKUJU-UHFFFAOYSA-N -1 0 285.299 2.960 50 0 CFAARM O=C(c1cnc2cc3c(cc2c1)OCO3)c1ccccc1[O-] ZINC000013060594 372012963 /nfs/dbraw/zinc/01/29/63/372012963.db2.gz CVHWOGBBVAKLRZ-UHFFFAOYSA-N -1 0 293.278 2.900 50 0 CFAARM CC(C)CC(=O)n1cc(C(=O)c2ccccc2[O-])cn1 ZINC000014241440 372065584 /nfs/dbraw/zinc/06/55/84/372065584.db2.gz RSXSAHSRWKIDJI-UHFFFAOYSA-N -1 0 272.304 2.506 50 0 CFAARM Cc1ccc(-c2nc([N-]c3nc(C)cc(C)n3)n[nH]2)cc1 ZINC000018179452 372142995 /nfs/dbraw/zinc/14/29/95/372142995.db2.gz SEGUAGZIIKZCGH-UHFFFAOYSA-N -1 0 280.335 2.931 50 0 CFAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1F ZINC000019279466 372154687 /nfs/dbraw/zinc/15/46/87/372154687.db2.gz ASVFFKYHYQDICT-LLVKDONJSA-N -1 0 285.702 2.558 50 0 CFAARM Nc1c(=O)oc2ccccc2c1Nc1cccc(C(=O)[O-])c1 ZINC000019606511 372175363 /nfs/dbraw/zinc/17/53/63/372175363.db2.gz YIBVESIGPXBMPP-UHFFFAOYSA-N -1 0 296.282 2.817 50 0 CFAARM O=c1c2ccccc2[n-]c(=S)n1Cc1ccccc1F ZINC000017009585 372125412 /nfs/dbraw/zinc/12/54/12/372125412.db2.gz IDXYSAUYPFIBPS-UHFFFAOYSA-N -1 0 286.331 2.873 50 0 CFAARM O=C([O-])CCc1nc(-c2ccc(Br)cc2)no1 ZINC000017087012 372128121 /nfs/dbraw/zinc/12/81/21/372128121.db2.gz LBFLFJKKZLTGOV-UHFFFAOYSA-N -1 0 297.108 2.516 50 0 CFAARM O=C([O-])Cc1ccc2[nH]c(=O)c(Cc3ccccc3)cc2c1 ZINC000032155419 372434295 /nfs/dbraw/zinc/43/42/95/372434295.db2.gz GIHUKMLJGXEYPN-UHFFFAOYSA-N -1 0 293.322 2.746 50 0 CFAARM COc1ccccc1/C=C(\NC(=O)c1ccccc1)C(=O)[O-] ZINC000033716342 372499814 /nfs/dbraw/zinc/49/98/14/372499814.db2.gz UYBMXDQWZICTQY-KAMYIIQDSA-N -1 0 297.310 2.551 50 0 CFAARM O=C1[N-]C(=O)C(=Cc2cccn2-c2ccccc2F)N1 ZINC000033916761 372501652 /nfs/dbraw/zinc/50/16/52/372501652.db2.gz CXZHHVZQYJEAFU-FLIBITNWSA-N -1 0 271.251 2.637 50 0 CFAARM CCC(CC)(C(=O)[O-])c1ccc(OC)c(OC)c1 ZINC000037934463 372739149 /nfs/dbraw/zinc/73/91/49/372739149.db2.gz JKDMUYZVSXBHQE-UHFFFAOYSA-N -1 0 252.310 2.846 50 0 CFAARM O=C([O-])[C@H]1CCCN(C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000237950232 189895220 /nfs/dbraw/zinc/89/52/20/189895220.db2.gz PJMUSCIGWBUGEZ-CHWPNHQFSA-N -1 0 291.322 2.552 50 0 CFAARM O=C([O-])[C@H](C[C@@H]1Cc2ccccc2N1)C(F)(F)F ZINC000012958047 304171160 /nfs/dbraw/zinc/17/11/60/304171160.db2.gz REOULSYTKDTIJQ-IUCAKERBSA-N -1 0 259.227 2.676 50 0 CFAARM COc1cc(C(=O)CC(C)(C)C(=O)[O-])ccc1C ZINC000043215045 372982948 /nfs/dbraw/zinc/98/29/48/372982948.db2.gz ZFJPCGVTLXJKPG-UHFFFAOYSA-N -1 0 250.294 2.687 50 0 CFAARM Cc1occc1CN(C)C(=O)c1cccc(C(=O)[O-])c1 ZINC000048913787 373231441 /nfs/dbraw/zinc/23/14/41/373231441.db2.gz OIYKDCTUNOYCLT-UHFFFAOYSA-N -1 0 273.288 2.558 50 0 CFAARM CC1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000049992031 373339927 /nfs/dbraw/zinc/33/99/27/373339927.db2.gz FBGMUFZAKUYSRD-ZALBZXLWSA-N -1 0 289.375 2.625 50 0 CFAARM O=C([O-])C1(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000050290045 373370355 /nfs/dbraw/zinc/37/03/55/373370355.db2.gz FVUHWLSXSVPNFL-UHFFFAOYSA-N -1 0 274.103 2.797 50 0 CFAARM Cc1ccsc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050921404 373384013 /nfs/dbraw/zinc/38/40/13/373384013.db2.gz MXVBISDVSWBWOU-NSHDSACASA-N -1 0 281.377 2.916 50 0 CFAARM C[C@H](C(=O)[O-])N(C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000054069045 373495147 /nfs/dbraw/zinc/49/51/47/373495147.db2.gz RKZIGPREXLGFHB-SECBINFHSA-N -1 0 294.738 2.900 50 0 CFAARM Cc1cc2ccccc2n1CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000058418839 373656269 /nfs/dbraw/zinc/65/62/69/373656269.db2.gz SOHCOIKFNLLWDZ-MRXNPFEDSA-N -1 0 288.347 2.524 50 0 CFAARM COc1ccc(F)cc1C(=O)C[C@H](C)CC(=O)[O-] ZINC000061829129 373728362 /nfs/dbraw/zinc/72/83/62/373728362.db2.gz MXTSFUPKZCZJHR-QMMMGPOBSA-N -1 0 254.257 2.518 50 0 CFAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000062117282 373749937 /nfs/dbraw/zinc/74/99/37/373749937.db2.gz HSMUKCCAXVQLLM-SSDOTTSWSA-N -1 0 288.130 2.540 50 0 CFAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(Cl)ccc2Cl)C1 ZINC000062117391 373750759 /nfs/dbraw/zinc/75/07/59/373750759.db2.gz AQPYLUGOFXIANH-ZETCQYMHSA-N -1 0 288.130 2.540 50 0 CFAARM Cc1ncccc1Oc1ncc(Cl)cc1C(=O)[O-] ZINC000064037988 373819736 /nfs/dbraw/zinc/81/97/36/373819736.db2.gz UKIFTEMYMAVDFQ-UHFFFAOYSA-N -1 0 264.668 2.929 50 0 CFAARM Cc1nn(-c2ccc([C@H](C)O)cc2)c(C)c1CCC(=O)[O-] ZINC000067788013 374001529 /nfs/dbraw/zinc/00/15/29/374001529.db2.gz QLVYDBKHDKNFHU-LBPRGKRZSA-N -1 0 288.347 2.560 50 0 CFAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1c(F)cccc1F ZINC000069550175 374072986 /nfs/dbraw/zinc/07/29/86/374072986.db2.gz FGWVGQFFGFJLGC-SNVBAGLBSA-N -1 0 287.262 2.615 50 0 CFAARM Cc1ccc2nc(Cc3cccc(C(=O)[O-])c3)[nH]c(=O)c2c1 ZINC000069820062 374102878 /nfs/dbraw/zinc/10/28/78/374102878.db2.gz YKRRLUBVGGJRPP-UHFFFAOYSA-N -1 0 294.310 2.521 50 0 CFAARM O=C([O-])[C@H]1CCCCN1c1ncnc2c3ccccc3oc21 ZINC000000540443 304181017 /nfs/dbraw/zinc/18/10/17/304181017.db2.gz ILGPCKRAMFJCNT-LLVKDONJSA-N -1 0 297.314 2.820 50 0 CFAARM CCCc1c(C(=O)[O-])c(=O)cc(C)n1Cc1ccccc1 ZINC000072446972 374253940 /nfs/dbraw/zinc/25/39/40/374253940.db2.gz HFCJGYBJMRFZJX-UHFFFAOYSA-N -1 0 285.343 2.856 50 0 CFAARM CC1(C)S[C@H](c2cccc3[nH]ccc32)N[C@@H]1C(=O)[O-] ZINC000074938370 374449834 /nfs/dbraw/zinc/44/98/34/374449834.db2.gz HXLWQMPGAYSWGU-VXGBXAGGSA-N -1 0 276.361 2.735 50 0 CFAARM COC(=O)c1nnc(-c2cc(Cl)ccc2Cl)[n-]1 ZINC000075280096 374474088 /nfs/dbraw/zinc/47/40/88/374474088.db2.gz FXNKEHMFCDZPRQ-UHFFFAOYSA-N -1 0 272.091 2.565 50 0 CFAARM Cc1nnc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)s1 ZINC000083955902 374758721 /nfs/dbraw/zinc/75/87/21/374758721.db2.gz OQGTVCVTRXAXFR-UHFFFAOYSA-N -1 0 297.405 2.771 50 0 CFAARM Cc1ccsc1C(=O)NC(C)(C)C(C)(C)C(=O)[O-] ZINC000087622619 374825962 /nfs/dbraw/zinc/82/59/62/374825962.db2.gz QSTXVZSJIATQGY-UHFFFAOYSA-N -1 0 269.366 2.676 50 0 CFAARM C[C@@H]1CC[C@@H](C)N(C(=O)CC(C)(C)CC(=O)[O-])C1 ZINC000088703779 374859438 /nfs/dbraw/zinc/85/94/38/374859438.db2.gz WEHIAILEEJRYFL-GHMZBOCLSA-N -1 0 255.358 2.524 50 0 CFAARM Cc1[nH]nc([N-]S(=O)(=O)c2cc(Cl)ccc2C)c1C ZINC000089651288 374935436 /nfs/dbraw/zinc/93/54/36/374935436.db2.gz NIWVMIGPQVWGHY-UHFFFAOYSA-N -1 0 299.783 2.789 50 0 CFAARM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cn[nH]c2)s1 ZINC000090230816 375006551 /nfs/dbraw/zinc/00/65/51/375006551.db2.gz OKSCWLVPEHPZGO-UHFFFAOYSA-N -1 0 285.394 2.570 50 0 CFAARM C[C@H]1CO[C@H](c2ccccc2Cl)CN1CCC(=O)[O-] ZINC000089941299 374972845 /nfs/dbraw/zinc/97/28/45/374972845.db2.gz IXNPRHFWJWTDEO-GWCFXTLKSA-N -1 0 283.755 2.577 50 0 CFAARM Cc1ccc(C(=O)NC(C)(C)CCC(=O)[O-])c(F)c1 ZINC000094913723 375389319 /nfs/dbraw/zinc/38/93/19/375389319.db2.gz LRPBTVGMJCARMY-UHFFFAOYSA-N -1 0 267.300 2.507 50 0 CFAARM Cc1ccccc1C(=O)N[C@@H]1CCCCC[C@H]1C(=O)[O-] ZINC000094743526 375376500 /nfs/dbraw/zinc/37/65/00/375376500.db2.gz YRVISQFYVGVOHS-ZIAGYGMSSA-N -1 0 275.348 2.758 50 0 CFAARM O=C([O-])CCc1ccc(NC(=O)Cc2ccc(O)cc2)cc1 ZINC000095972527 375464586 /nfs/dbraw/zinc/46/45/86/375464586.db2.gz ZCXOWMIGJUVHQV-UHFFFAOYSA-N -1 0 299.326 2.591 50 0 CFAARM COC(=O)c1ccc(/C=C\c2ncc(C(=O)[O-])s2)cc1 ZINC000096402126 375485232 /nfs/dbraw/zinc/48/52/32/375485232.db2.gz GEDZXEBTBWXDSN-DAXSKMNVSA-N -1 0 289.312 2.798 50 0 CFAARM COc1ccccc1C(=O)[C@H]1CC[C@@H](C(=O)[O-])CC1 ZINC000100289313 375618393 /nfs/dbraw/zinc/61/83/93/375618393.db2.gz NMSIFNFDZHKEGS-XYPYZODXSA-N -1 0 262.305 2.769 50 0 CFAARM O=c1cc(-c2ccccc2)nc2nc(-c3ccccc3)[n-]n21 ZINC000100456681 375622243 /nfs/dbraw/zinc/62/22/43/375622243.db2.gz JTXNHQOMBLVMSD-UHFFFAOYSA-N -1 0 288.310 2.752 50 0 CFAARM COc1ccccc1-c1c(C)[n-]n2c1nc(C)cc2=O ZINC000100756889 375627457 /nfs/dbraw/zinc/62/74/57/375627457.db2.gz GFDURVVZMGBFOB-UHFFFAOYSA-N -1 0 269.304 2.727 50 0 CFAARM O=C([O-])[C@@H]1CCN(C(c2ccccc2)c2ccccc2)C1=O ZINC000261494365 190039638 /nfs/dbraw/zinc/03/96/38/190039638.db2.gz VVJKSRQOKSMTDT-OAHLLOKOSA-N -1 0 295.338 2.709 50 0 CFAARM [O-]c1c(F)cc(OC(F)F)cc1Br ZINC000263623968 190070159 /nfs/dbraw/zinc/07/01/59/190070159.db2.gz MGNANJLOSVAVFL-UHFFFAOYSA-N -1 0 257.005 2.895 50 0 CFAARM O=C([O-])[C@H]1CS[C@H](c2cc3ccccc3nc2Cl)N1 ZINC000000108696 304202460 /nfs/dbraw/zinc/20/24/60/304202460.db2.gz DLLJWPKSGYMNQF-ZYHUDNBSSA-N -1 0 294.763 2.676 50 0 CFAARM Cn1nccc1/C=C\c1nc2ccc(C(=O)[O-])cc2s1 ZINC000571739610 383721683 /nfs/dbraw/zinc/72/16/83/383721683.db2.gz YYRDSHYGKNBMII-HYXAFXHYSA-N -1 0 285.328 2.898 50 0 CFAARM CCc1ccc(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)o1 ZINC000131973384 377786753 /nfs/dbraw/zinc/78/67/53/377786753.db2.gz MIYHDHNRMDHLAG-LBPRGKRZSA-N -1 0 285.299 2.671 50 0 CFAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2cccc(Cl)c2)C1 ZINC000136138183 378182130 /nfs/dbraw/zinc/18/21/30/378182130.db2.gz CBRZNJNYJVCMSR-GFCCVEGCSA-N -1 0 295.766 2.596 50 0 CFAARM Cc1ccc(CNc2nnc([C@@H]3CCCO3)o2)s1 ZINC000170592194 379120986 /nfs/dbraw/zinc/12/09/86/379120986.db2.gz ZQGOLTNJLSIZEL-JTQLQIEISA-N -1 0 265.338 2.903 50 0 CFAARM COc1cccc(-c2ccc3[nH]c(=O)c(C(=O)[O-])cc3c2)c1 ZINC000170622761 379130876 /nfs/dbraw/zinc/13/08/76/379130876.db2.gz SRPMMXKXXAEZIV-UHFFFAOYSA-N -1 0 295.294 2.902 50 0 CFAARM O=C([O-])c1ccc(C(=O)Nc2cccc(C(F)F)c2)cn1 ZINC000170832072 379174252 /nfs/dbraw/zinc/17/42/52/379174252.db2.gz LDIHNZDAONQFGF-UHFFFAOYSA-N -1 0 292.241 2.970 50 0 CFAARM O=C([O-])c1cc(-c2ccc(C(F)(F)F)cc2)[nH]n1 ZINC000006849513 304219201 /nfs/dbraw/zinc/21/92/01/304219201.db2.gz SXCLKFLMZFOPIX-UHFFFAOYSA-N -1 0 256.183 2.794 50 0 CFAARM O=C([O-])c1cc(-c2ncc(F)cn2)ccc1Cl ZINC000079047700 304220007 /nfs/dbraw/zinc/22/00/07/304220007.db2.gz ZTPXIXAIKOZGMH-UHFFFAOYSA-N -1 0 252.632 2.634 50 0 CFAARM O=C([O-])c1cc(Br)c2ncccc2c1 ZINC000026441208 304220756 /nfs/dbraw/zinc/22/07/56/304220756.db2.gz RDUAIBVSZBTFKK-UHFFFAOYSA-N -1 0 252.067 2.696 50 0 CFAARM O=C([O-])c1cc(C(F)(F)F)nc(C(F)(F)F)c1 ZINC000022873122 304224012 /nfs/dbraw/zinc/22/40/12/304224012.db2.gz FEBDLCQKXTYKFT-UHFFFAOYSA-N -1 0 259.105 2.817 50 0 CFAARM Cc1cnc(NC(=O)[C@H]2CC[C@](C)(C(=O)[O-])C2(C)C)s1 ZINC000000109288 169539297 /nfs/dbraw/zinc/53/92/97/169539297.db2.gz IIENKKXWWBLWRR-YMTOWFKASA-N -1 0 296.392 2.917 50 0 CFAARM Cc1cccc(Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000049412081 412941700 /nfs/dbraw/zinc/94/17/00/412941700.db2.gz MSRJBIKWJWXYCG-UHFFFAOYSA-N -1 0 256.330 2.884 50 0 CFAARM CCN(C(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000000201499 169572966 /nfs/dbraw/zinc/57/29/66/169572966.db2.gz KZKLROGMZCYKOP-UONOGXRCSA-N -1 0 275.348 2.931 50 0 CFAARM COc1ccccc1CC(=O)Nc1ccccc1C(=O)[O-] ZINC000000226992 169580241 /nfs/dbraw/zinc/58/02/41/169580241.db2.gz TUXINTWSYHXSCW-UHFFFAOYSA-N -1 0 285.299 2.575 50 0 CFAARM O=C([O-])c1cc2ccccc2c(OCC(F)(F)F)n1 ZINC000037372791 304229582 /nfs/dbraw/zinc/22/95/82/304229582.db2.gz SXQUHVHXXOTODA-UHFFFAOYSA-N -1 0 271.194 2.874 50 0 CFAARM O=C([O-])c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 ZINC000000330930 169608874 /nfs/dbraw/zinc/60/88/74/169608874.db2.gz QDZIGIDRPFIIAJ-UHFFFAOYSA-N -1 0 297.310 2.986 50 0 CFAARM O=C([O-])c1ccc(Br)c2cccnc12 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O=c1c2ccccc2[n-]c(=S)n1CCCOCC1CC1 ZINC000007047578 170263655 /nfs/dbraw/zinc/26/36/55/170263655.db2.gz WCAVZEFSGUZSJH-UHFFFAOYSA-N -1 0 290.388 2.876 50 0 CFAARM CC[C@H](C)[C@@H](NC(=O)NCCC1=CCCCC1)C(=O)[O-] ZINC000008197904 170324044 /nfs/dbraw/zinc/32/40/44/170324044.db2.gz HBNAQDMHTPGBKJ-WCQYABFASA-N -1 0 282.384 2.675 50 0 CFAARM O=c1[nH]c2ccccc2c([O-])c1[S@](=O)C1CCCCC1 ZINC000008691835 170345991 /nfs/dbraw/zinc/34/59/91/170345991.db2.gz BHPALVCUINHRRR-FQEVSTJZSA-N -1 0 291.372 2.674 50 0 CFAARM CCOc1cc(C)ccc1S(=O)(=O)[N-]c1cccnc1 ZINC000008714815 170348990 /nfs/dbraw/zinc/34/89/90/170348990.db2.gz CZIVWABKTWKYGV-UHFFFAOYSA-N -1 0 292.360 2.590 50 0 CFAARM O=C([O-])c1nc(-c2cccs2)n(-c2ccc(F)cc2)n1 ZINC000008855824 170357899 /nfs/dbraw/zinc/35/78/99/170357899.db2.gz YHEVWNCDSGPELI-UHFFFAOYSA-N -1 0 289.291 2.833 50 0 CFAARM O=C([O-])CCc1ccc(NC(=O)Cc2cccs2)cc1 ZINC000008907306 170358543 /nfs/dbraw/zinc/35/85/43/170358543.db2.gz CIRGMAJSYCCZRQ-UHFFFAOYSA-N -1 0 289.356 2.947 50 0 CFAARM CC(C)[C@@H](Oc1cccc(Br)c1)C(=O)[O-] ZINC000011830859 170445057 /nfs/dbraw/zinc/44/50/57/170445057.db2.gz LGEFZXGGJMYXKD-SNVBAGLBSA-N -1 0 273.126 2.937 50 0 CFAARM CCOc1ccc(/C=C/C(=O)[O-])cc1Br ZINC000011897297 170457674 /nfs/dbraw/zinc/45/76/74/170457674.db2.gz GTHHPORFQMDCHR-GQCTYLIASA-N -1 0 271.110 2.946 50 0 CFAARM CC(C)(CC(=O)[O-])CC(=O)Nc1c(F)cccc1F ZINC000012799709 170511837 /nfs/dbraw/zinc/51/18/37/170511837.db2.gz JJURUYHTFQDZGW-UHFFFAOYSA-N -1 0 271.263 2.794 50 0 CFAARM COc1cc(C)ccc1Oc1ncccc1C(=O)[O-] ZINC000013091092 170531086 /nfs/dbraw/zinc/53/10/86/170531086.db2.gz YLLLOMOSJRCGAI-UHFFFAOYSA-N -1 0 259.261 2.889 50 0 CFAARM O=C([O-])c1ccncc1C(=O)c1ccc(Cl)cc1 ZINC000013998590 170615615 /nfs/dbraw/zinc/61/56/15/170615615.db2.gz MBYIALAOJHGWFM-UHFFFAOYSA-N -1 0 261.664 2.664 50 0 CFAARM CC(=O)c1c(C)n(-c2ccc(Cl)cc2)nc1C(=O)[O-] ZINC000019810708 170878852 /nfs/dbraw/zinc/87/88/52/170878852.db2.gz JKMMFZZLRKBACY-UHFFFAOYSA-N -1 0 278.695 2.735 50 0 CFAARM 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50 0 CFAARM O=C([O-])c1cccc(-c2ccc(/C=C\[N+](=O)[O-])o2)c1 ZINC000030814031 171623709 /nfs/dbraw/zinc/62/37/09/171623709.db2.gz MROVTHMUAOMBLB-SREVYHEPSA-N -1 0 259.217 2.892 50 0 CFAARM Cc1ccc(CN(C)C(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000035700370 172367696 /nfs/dbraw/zinc/36/76/96/172367696.db2.gz UNXCSJRSQQOQTO-UHFFFAOYSA-N -1 0 273.288 2.558 50 0 CFAARM Cc1c2ccccc2sc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000037416008 173193526 /nfs/dbraw/zinc/19/35/26/173193526.db2.gz YWLIUVNIZZYTSV-NSHDSACASA-N -1 0 289.356 2.899 50 0 CFAARM COc1cccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)c1C ZINC000659781601 414550010 /nfs/dbraw/zinc/55/00/10/414550010.db2.gz JQYUYXNPARBAKF-UHFFFAOYSA-N -1 0 293.363 2.577 50 0 CFAARM O=C([O-])C(F)(F)c1ccccc1OC(F)(F)F ZINC000038537395 174145702 /nfs/dbraw/zinc/14/57/02/174145702.db2.gz JIKMKBRSFLYDPZ-UHFFFAOYSA-N -1 0 256.126 2.762 50 0 CFAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000043583328 175070310 /nfs/dbraw/zinc/07/03/10/175070310.db2.gz MMHMJKZRPFAEKU-NSHDSACASA-N -1 0 279.311 2.543 50 0 CFAARM Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)s1 ZINC000043583644 175070623 /nfs/dbraw/zinc/07/06/23/175070623.db2.gz VJZPGGYTYCDKKV-NSHDSACASA-N -1 0 281.377 2.774 50 0 CFAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(Cl)o2)C1 ZINC000043583978 175070755 /nfs/dbraw/zinc/07/07/55/175070755.db2.gz ODEQDYDOMIVNHG-SECBINFHSA-N -1 0 285.727 2.650 50 0 CFAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 ZINC000044547139 175202158 /nfs/dbraw/zinc/20/21/58/175202158.db2.gz RPHRJSPXJCPPIP-ZYHUDNBSSA-N -1 0 279.336 2.973 50 0 CFAARM Cc1cccc(CNC(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000048266406 175424291 /nfs/dbraw/zinc/42/42/91/175424291.db2.gz HGJBFFZNDYETDP-UHFFFAOYSA-N -1 0 269.300 2.623 50 0 CFAARM Cc1cn(C)c(CC(=O)Nc2cccc(C)c2)c1C(=O)[O-] ZINC000064980617 175700039 /nfs/dbraw/zinc/70/00/39/175700039.db2.gz OOWQQAKFQOVSHG-UHFFFAOYSA-N -1 0 286.331 2.521 50 0 CFAARM Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)[O-] ZINC000071193897 176075742 /nfs/dbraw/zinc/07/57/42/176075742.db2.gz 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ZINC000037584841 278657756 /nfs/dbraw/zinc/65/77/56/278657756.db2.gz RQDYWZRSSOOZRM-UHFFFAOYSA-N -1 0 259.305 2.630 50 0 CFAARM CC(C)[C@@H]1Cc2c(sc3[n-]c(=S)[nH]c(=O)c23)CO1 ZINC000020100235 280038747 /nfs/dbraw/zinc/03/87/47/280038747.db2.gz UVJYDXXSBITDDI-ZETCQYMHSA-N -1 0 282.390 2.744 50 0 CFAARM CC1(C)CO[C@H](c2ccccc2Cl)CN1CC(=O)[O-] ZINC000095397886 281296506 /nfs/dbraw/zinc/29/65/06/281296506.db2.gz DUEQRJGAYWTAFI-LBPRGKRZSA-N -1 0 283.755 2.577 50 0 CFAARM CC1(C)[C@H](C(=O)N2CCCCC2)CC[C@]1(C)C(=O)[O-] ZINC000000249953 281464847 /nfs/dbraw/zinc/46/48/47/281464847.db2.gz PIADNPDPQSZWDH-XHDPSFHLSA-N -1 0 267.369 2.526 50 0 CFAARM CC1([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)CC1 ZINC000000377214 281609172 /nfs/dbraw/zinc/60/91/72/281609172.db2.gz NNCJNZLSIUWYRF-SFYZADRCSA-N -1 0 289.257 2.669 50 0 CFAARM C[C@@H]1C[C@@H](C(F)(F)C(F)(F)F)n2nc(C(=O)[O-])cc2N1 ZINC000000039420 297219342 /nfs/dbraw/zinc/21/93/42/297219342.db2.gz PLAYSRYCRLUCFT-XINAWCOVSA-N -1 0 299.199 2.524 50 0 CFAARM O=C(c1ccc2sc(=S)[n-]c2c1)N1CCCC1 ZINC000005687868 304543515 /nfs/dbraw/zinc/54/35/15/304543515.db2.gz IVYSYWZDWKLKOO-UHFFFAOYSA-N -1 0 264.375 2.821 50 0 CFAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)c1ccccc1)c1ccccc1 ZINC000212485260 298218382 /nfs/dbraw/zinc/21/83/82/298218382.db2.gz GTTDQWPYDZPOEE-SWLSCSKDSA-N -1 0 283.327 2.878 50 0 CFAARM Cc1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c(C)o1 ZINC000050921028 301089729 /nfs/dbraw/zinc/08/97/29/301089729.db2.gz GTIJVDFVVZPPPZ-GFCCVEGCSA-N -1 0 279.336 2.756 50 0 CFAARM Cc1cc(F)ccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000005050060 301314078 /nfs/dbraw/zinc/31/40/78/301314078.db2.gz OCBMLGRTGAUXCZ-NWDGAFQWSA-N -1 0 279.311 2.964 50 0 CFAARM Cc1ccc2nc(C)c(C(=O)N3CCC[C@@H]3C(=O)[O-])cc2c1 ZINC000237898292 301924833 /nfs/dbraw/zinc/92/48/33/301924833.db2.gz RVXUAJZECWZZPT-OAHLLOKOSA-N -1 0 298.342 2.541 50 0 CFAARM Cc1nn(-c2ccc(F)cc2)c2nc(C)cc(C(=O)[O-])c12 ZINC000009305599 302726083 /nfs/dbraw/zinc/72/60/83/302726083.db2.gz PANIZACEQJWOTI-UHFFFAOYSA-N -1 0 285.278 2.875 50 0 CFAARM Cn1c(=O)c2c3c(sc2[n-]c1=S)COC(C)(C)C3 ZINC000001306390 302892812 /nfs/dbraw/zinc/89/28/12/302892812.db2.gz KWQPXNAFAORFDO-UHFFFAOYSA-N -1 0 282.390 2.509 50 0 CFAARM N=C1NC(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)S1 ZINC000035227757 303232310 /nfs/dbraw/zinc/23/23/10/303232310.db2.gz ULXIALAKXLALFT-CLTKARDFSA-N -1 0 289.143 2.838 50 0 CFAARM O=C(Cc1c(=O)oc2ccccc2c1[O-])c1ccccc1O ZINC000000117759 303653690 /nfs/dbraw/zinc/65/36/90/303653690.db2.gz GAHZSGUHHWBTOH-UHFFFAOYSA-N -1 0 296.278 2.630 50 0 CFAARM O=c1cc([O-])c2sc3nc(-c4ccncc4)ccc3c2[nH]1 ZINC000008742295 304817931 /nfs/dbraw/zinc/81/79/31/304817931.db2.gz RJCGLYCUOKTTSW-UHFFFAOYSA-N -1 0 295.323 2.905 50 0 CFAARM O=C([O-])c1cccc(CC(=O)N(C2CC2)C2CCCC2)c1 ZINC000195551719 324108222 /nfs/dbraw/zinc/10/82/22/324108222.db2.gz BZXIXDBZZHMOKR-UHFFFAOYSA-N -1 0 287.359 2.861 50 0 CFAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)c1ccsc1 ZINC000195544322 324108226 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371548463 /nfs/dbraw/zinc/54/84/63/371548463.db2.gz JBFZOPKAXVDCAT-UONOGXRCSA-N -1 0 268.268 2.767 50 0 CFAARM O=C([O-])c1nccnc1C(=O)Nc1cccc2ccccc21 ZINC000000175794 371549199 /nfs/dbraw/zinc/54/91/99/371549199.db2.gz RRBYWKWUTCITPP-UHFFFAOYSA-N -1 0 293.282 2.580 50 0 CFAARM CCOc1ccc2c(c1)C(=O)c1cc(OCC(=O)[O-])ccc1-2 ZINC000000177265 371550232 /nfs/dbraw/zinc/55/02/32/371550232.db2.gz FSSLSTGTXZMSCO-UHFFFAOYSA-N -1 0 298.294 2.760 50 0 CFAARM Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1 ZINC000000226558 371562732 /nfs/dbraw/zinc/56/27/32/371562732.db2.gz KQGXAGGKSAEMGN-UHFFFAOYSA-N -1 0 282.752 2.844 50 0 CFAARM O=S(=O)(C=C([O-])c1ccccc1)c1ccc(Cl)cc1 ZINC000000241702 371566251 /nfs/dbraw/zinc/56/62/51/371566251.db2.gz DGUDBMUALNJUGN-UHFFFAOYSA-N -1 0 294.759 2.997 50 0 CFAARM COc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000260748 371571792 /nfs/dbraw/zinc/57/17/92/371571792.db2.gz TWEPEGQCRSXENU-OLZOCXBDSA-N -1 0 277.320 2.525 50 0 CFAARM Cc1ccc(S(=O)(=O)[N-]c2ccccn2)c(C)c1C 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C/C(=C/C(=O)NCc1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000000373872 371598838 /nfs/dbraw/zinc/59/88/38/371598838.db2.gz HPPSJYYRDLECCN-DAXSKMNVSA-N -1 0 288.130 2.641 50 0 CFAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1F ZINC000000398324 371605523 /nfs/dbraw/zinc/60/55/23/371605523.db2.gz OLNKCRIJIUDDAR-VHSXEESVSA-N -1 0 265.284 2.655 50 0 CFAARM O=C(Nc1cc(Cl)c([O-])c(Cl)c1)[C@@H]1CCCO1 ZINC000000469309 371623165 /nfs/dbraw/zinc/62/31/65/371623165.db2.gz IQGOWYFXCFHXNR-VIFPVBQESA-N -1 0 276.119 2.817 50 0 CFAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000000465428 371623356 /nfs/dbraw/zinc/62/33/56/371623356.db2.gz XSCXIHZEPUMJLN-UHFFFAOYSA-N -1 0 281.308 2.635 50 0 CFAARM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c1 ZINC000000538988 371636618 /nfs/dbraw/zinc/63/66/18/371636618.db2.gz RHPCFKLCFGKOKG-LBPRGKRZSA-N -1 0 264.325 2.534 50 0 CFAARM O=C([O-])Cn1cc(C(=O)c2ccco2)c2ccccc21 ZINC000000560598 371640688 /nfs/dbraw/zinc/64/06/88/371640688.db2.gz SSAJSVFOQLEWAI-UHFFFAOYSA-N -1 0 269.256 2.550 50 0 CFAARM Cc1cc(C(=O)[O-])ccc1NC(=O)c1ccccc1 ZINC000001079780 371660548 /nfs/dbraw/zinc/66/05/48/371660548.db2.gz LEWWVRLWYWWVGO-UHFFFAOYSA-N -1 0 255.273 2.946 50 0 CFAARM O=S(=O)([O-])CCCSc1nc2ccccc2s1 ZINC000001809738 371708721 /nfs/dbraw/zinc/70/87/21/371708721.db2.gz XBNHRNFODJOFRU-UHFFFAOYSA-N -1 0 289.403 2.666 50 0 in-vivo CFAARM CCc1cc2c(ncnc2NCCCC(=O)[O-])s1 ZINC000002030392 371713855 /nfs/dbraw/zinc/71/38/55/371713855.db2.gz UISYYGNHKBJWIF-UHFFFAOYSA-N -1 0 265.338 2.530 50 0 CFAARM O=c1[n-]n(-c2ccccc2)c(O)c1-c1ccccc1 ZINC000002046469 371715548 /nfs/dbraw/zinc/71/55/48/371715548.db2.gz ZZMSHBOVYPIYOB-ZDUSSCGKSA-N -1 0 252.273 2.689 50 0 CFAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])c1ccccc1Cl ZINC000002580916 371739455 /nfs/dbraw/zinc/73/94/55/371739455.db2.gz XPFJZGJBRMTXCE-SNVBAGLBSA-N -1 0 285.727 2.990 50 0 CFAARM CCCCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000002144206 371716806 /nfs/dbraw/zinc/71/68/06/371716806.db2.gz VAIREBHXLZPVSD-AWEZNQCLSA-N -1 0 292.379 2.562 50 0 CFAARM O=C([O-])C[C@H](CC(=O)NCc1ccco1)c1ccccc1 ZINC000002243873 371719831 /nfs/dbraw/zinc/71/98/31/371719831.db2.gz UJXBBQYFBOUDAE-ZDUSSCGKSA-N -1 0 287.315 2.544 50 0 CFAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000002379439 371723790 /nfs/dbraw/zinc/72/37/90/371723790.db2.gz JTNQFJPZRTURSI-LLVKDONJSA-N -1 0 265.309 2.727 50 0 CFAARM O=C([O-])[C@@H]1CCCC[C@H]1NC(=O)OCc1ccccc1 ZINC000002518247 371731161 /nfs/dbraw/zinc/73/11/61/371731161.db2.gz RPJMLWMATNCSIS-CHWSQXEVSA-N -1 0 277.320 2.556 50 0 CFAARM O=C([O-])c1ccn(COc2cccc(Cl)c2Cl)n1 ZINC000002535532 371733546 /nfs/dbraw/zinc/73/35/46/371733546.db2.gz FEUKMTTXQLBZAM-UHFFFAOYSA-N -1 0 287.102 2.925 50 0 CFAARM Cc1ccc(Cl)c(OCn2ccc(C(=O)[O-])n2)c1 ZINC000002535548 371735199 /nfs/dbraw/zinc/73/51/99/371735199.db2.gz QCMQLKZEDLJGOE-UHFFFAOYSA-N -1 0 266.684 2.580 50 0 CFAARM CN(C(=O)OC(C)(C)C)c1ccccc1C(=O)[O-] ZINC000002560861 371736116 /nfs/dbraw/zinc/73/61/16/371736116.db2.gz UXLICAHPTWWCII-UHFFFAOYSA-N -1 0 251.282 2.756 50 0 CFAARM CC(C)(C)OC(=O)N[C@H](CCc1ccccc1)C(=O)[O-] ZINC000002554981 371736853 /nfs/dbraw/zinc/73/68/53/371736853.db2.gz MCODLPJUFHPVQP-GFCCVEGCSA-N -1 0 279.336 2.597 50 0 CFAARM COC(OC)c1nc2ccccc2c(C(=O)[O-])c1C ZINC000001681741 371696794 /nfs/dbraw/zinc/69/67/94/371696794.db2.gz VOIQBDVXRGVEMS-UHFFFAOYSA-N -1 0 261.277 2.533 50 0 CFAARM COc1ccc(OCc2cc(C(=O)[O-])c(C)o2)cc1 ZINC000003320330 371791504 /nfs/dbraw/zinc/79/15/04/371791504.db2.gz DEAUUAZEQGZVQZ-UHFFFAOYSA-N -1 0 262.261 2.874 50 0 CFAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCCCc1ccccc1 ZINC000002746539 371749778 /nfs/dbraw/zinc/74/97/78/371749778.db2.gz OTOAONYPFKALKV-CABCVRRESA-N -1 0 289.375 2.626 50 0 CFAARM CCOc1cc(Br)c(C(=O)[O-])cc1OC ZINC000002888666 371762670 /nfs/dbraw/zinc/76/26/70/371762670.db2.gz PHUWTBULJBBFQK-UHFFFAOYSA-N -1 0 275.098 2.555 50 0 CFAARM CCCOc1ccc(C(=O)NCCCCCC(=O)[O-])cc1 ZINC000002894261 371762840 /nfs/dbraw/zinc/76/28/40/371762840.db2.gz XYHXPCDLFGGPIZ-UHFFFAOYSA-N -1 0 293.363 2.850 50 0 CFAARM COc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000002935666 371764438 /nfs/dbraw/zinc/76/44/38/371764438.db2.gz KZIMIWWLYIDNIJ-UHFFFAOYSA-N -1 0 269.347 2.558 50 0 CFAARM CSCC[C@@H](Nc1nc2ccccc2s1)C(=O)[O-] ZINC000003035291 371771084 /nfs/dbraw/zinc/77/10/84/371771084.db2.gz WQBVDLYLCFPUNZ-SECBINFHSA-N -1 0 282.390 2.915 50 0 CFAARM C[C@H](C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])C(F)(F)F ZINC000002583192 371741741 /nfs/dbraw/zinc/74/17/41/371741741.db2.gz PLTXZUYAJDKNFI-RQJHMYQMSA-N -1 0 285.262 2.553 50 0 CFAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccccc1C(C)C ZINC000003566188 371809545 /nfs/dbraw/zinc/80/95/45/371809545.db2.gz MCEABWSBZFYYPL-UHFFFAOYSA-N -1 0 293.392 2.951 50 0 CFAARM CC[C@H](Sc1nnc2sc3ccccc3n12)C(=O)[O-] ZINC000003656493 371813664 /nfs/dbraw/zinc/81/36/64/371813664.db2.gz DXIOEFVDNUIHIZ-QMMMGPOBSA-N -1 0 293.373 2.899 50 0 CFAARM CC1(C)O[C@](C)([C@H](O)C2CCCCC2)CC[C@@H]1C(=O)[O-] ZINC000003845882 371818956 /nfs/dbraw/zinc/81/89/56/371818956.db2.gz CUSVMGSMDNBVPL-IOASZLSFSA-N -1 0 284.396 2.976 50 0 CFAARM CC(C)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000003888079 371822733 /nfs/dbraw/zinc/82/27/33/371822733.db2.gz BEGPYKGGTXNTLY-UHFFFAOYSA-N -1 0 267.350 2.920 50 0 CFAARM Cc1nc2nc3ccccc3n2c(C)c1CCC(=O)[O-] ZINC000003888351 371822740 /nfs/dbraw/zinc/82/27/40/371822740.db2.gz YLPRUAHJQOJRKP-UHFFFAOYSA-N -1 0 269.304 2.517 50 0 CFAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(Cl)c(Cl)c2)N1 ZINC000003910408 371825935 /nfs/dbraw/zinc/82/59/35/371825935.db2.gz JFVLZAPPBGHGBP-IUCAKERBSA-N -1 0 278.160 2.782 50 0 CFAARM Cc1[n-]n2c(nc3c(c2=O)CCCC3)c1-c1ccccc1 ZINC000004294868 371847740 /nfs/dbraw/zinc/84/77/40/371847740.db2.gz KKJMJURNHVKSKV-UHFFFAOYSA-N -1 0 279.343 2.877 50 0 CFAARM Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)[O-])o1 ZINC000004539979 371862715 /nfs/dbraw/zinc/86/27/15/371862715.db2.gz HMFQFGIXVXIHIE-CMDGGOBGSA-N -1 0 271.272 2.938 50 0 CFAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(Cl)ccc1O ZINC000004641449 371869598 /nfs/dbraw/zinc/86/95/98/371869598.db2.gz ZIBWVAWHUSHKDM-UWVGGRQHSA-N -1 0 295.722 2.651 50 0 CFAARM O=C([O-])Cc1csc(NC(=O)c2ccc(Cl)cc2)n1 ZINC000004641433 371870090 /nfs/dbraw/zinc/87/00/90/371870090.db2.gz DDKSZHVERDDFMO-UHFFFAOYSA-N -1 0 296.735 2.676 50 0 CFAARM Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)[O-] ZINC000011919909 371936234 /nfs/dbraw/zinc/93/62/34/371936234.db2.gz YQYIFXWJCXOCGM-UHFFFAOYSA-N -1 0 277.305 2.794 50 0 CFAARM COc1cccc(-c2cc(C(=O)[O-])c3c(C)nn(C)c3n2)c1 ZINC000011567294 371921567 /nfs/dbraw/zinc/92/15/67/371921567.db2.gz DEYQZQNEGUCOMX-UHFFFAOYSA-N -1 0 297.314 2.651 50 0 CFAARM Cc1nc([C@@H](C)Cn2cc(Cl)cn2)sc1C(=O)[O-] ZINC000012396530 371960716 /nfs/dbraw/zinc/96/07/16/371960716.db2.gz SWPSETFPBCPZEO-LURJTMIESA-N -1 0 285.756 2.803 50 0 CFAARM CC[C@H](C)[C@H](NC(=O)N[C@H](C)CCCC(C)C)C(=O)[O-] ZINC000012858480 371990655 /nfs/dbraw/zinc/99/06/55/371990655.db2.gz SURRVFZMBMYYSO-XQQFMLRXSA-N -1 0 286.416 3.000 50 0 CFAARM CN(C(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-])C1CCCCC1 ZINC000012291864 371949721 /nfs/dbraw/zinc/94/97/21/371949721.db2.gz 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CFAARM Cc1c(Cl)cccc1-n1nnc(C(=O)[O-])c1C1CC1 ZINC000019813399 170880002 /nfs/dbraw/zinc/88/00/02/170880002.db2.gz DBPIPWOLNANJSM-UHFFFAOYSA-N -1 0 277.711 2.805 50 0 CFAARM O=C([O-])c1cccc(Oc2ncc(Br)cn2)c1 ZINC000020357714 171157237 /nfs/dbraw/zinc/15/72/37/171157237.db2.gz HPJFSTPVQIPYMN-UHFFFAOYSA-N -1 0 295.092 2.730 50 0 CFAARM Cc1occc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000021003064 171284650 /nfs/dbraw/zinc/28/46/50/171284650.db2.gz BUQPTNKBVNGVFJ-UHFFFAOYSA-N -1 0 273.288 2.858 50 0 CFAARM O=C([O-])c1ccc(C[S@](=O)c2ccccc2Cl)o1 ZINC000021714253 171319748 /nfs/dbraw/zinc/31/97/48/171319748.db2.gz OTIFSWMXZXWQFC-GOSISDBHSA-N -1 0 284.720 2.939 50 0 CFAARM CC(C)[C@@H](NC(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000022144642 171356384 /nfs/dbraw/zinc/35/63/84/171356384.db2.gz AYIRDCWKVCWZOU-SNVBAGLBSA-N -1 0 289.253 2.544 50 0 CFAARM C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C(=O)[O-] ZINC000035407339 172178423 /nfs/dbraw/zinc/17/84/23/172178423.db2.gz PRWJYAIXSYGZSV-BYPYZUCNSA-N -1 0 268.622 2.639 50 0 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255.111 2.811 50 0 CFAARM C[C@H]1Cc2ccccc2[C@H]1NC(=O)CC(C)(C)C(=O)[O-] ZINC000097996920 300549541 /nfs/dbraw/zinc/54/95/41/300549541.db2.gz RCDSMVSZCGXJSX-HZMBPMFUSA-N -1 0 275.348 2.537 50 0 CFAARM Cc1cc2c([n-]c(=S)n(Cc3ccncc3)c2=O)s1 ZINC000017022251 301435432 /nfs/dbraw/zinc/43/54/32/301435432.db2.gz VDQXNJZIRFKMHC-UHFFFAOYSA-N -1 0 289.385 2.872 50 0 CFAARM Cc1ccc(F)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000012774359 301613179 /nfs/dbraw/zinc/61/31/79/301613179.db2.gz AWMOJVUHRNHKJO-NWDGAFQWSA-N -1 0 277.295 2.740 50 0 CFAARM Cc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C ZINC000004824834 302003821 /nfs/dbraw/zinc/00/38/21/302003821.db2.gz WDGOQMYGRVCEDO-QWHCGFSZSA-N -1 0 273.332 2.909 50 0 CFAARM Cc1nc(-c2ccc(Br)cc2)ncc1C(=O)[O-] ZINC000000758822 302536964 /nfs/dbraw/zinc/53/69/64/302536964.db2.gz YUGWMNZZZAIMQP-UHFFFAOYSA-N -1 0 293.120 2.913 50 0 CFAARM Cc1nc(C(=O)[O-])nn1-c1ccc(Cl)cc1Cl ZINC000002555689 302559080 /nfs/dbraw/zinc/55/90/80/302559080.db2.gz 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CCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000100448750 528822397 /nfs/dbraw/zinc/82/23/97/528822397.db2.gz NTEIOPJYCDSWMD-UHFFFAOYSA-N -1 0 299.193 2.858 50 0 CFAARM CC[C@](NC(=O)c1occc1C)(C(=O)[O-])c1ccccc1 ZINC000262477562 535877059 /nfs/dbraw/zinc/87/70/59/535877059.db2.gz TVWNDMOXXCZLHR-MRXNPFEDSA-N -1 0 287.315 2.708 50 0 CFAARM [NH3+][C@H](CCCCCCCC(=O)[O-])CCCCC(=O)[O-] ZINC000004956319 619075176 /nfs/dbraw/zinc/07/51/76/619075176.db2.gz XPWJWCMCGYNVCH-GFCCVEGCSA-N -1 0 273.373 2.774 50 0 CFAARM C[C@@H]1CCCC[C@H]1OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237392481 600550925 /nfs/dbraw/zinc/55/09/25/600550925.db2.gz GNKNVGXXDMQZRV-BXUZGUMPSA-N -1 0 291.347 2.919 50 0 CFAARM CC(C)CC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000070414962 625314305 /nfs/dbraw/zinc/31/43/05/625314305.db2.gz HCGMLYODRBTQRC-CYBMUJFWSA-N -1 0 279.336 2.802 50 0 CFAARM C/C=C/C=C/C(=O)Nc1ccc(-n2ccc(C(=O)[O-])n2)cc1 ZINC000095989495 620419494 /nfs/dbraw/zinc/41/94/94/620419494.db2.gz GFLNFTXPUJRDCA-MQQKCMAXSA-N -1 0 297.314 2.641 50 0 CFAARM Cc1ccc([C@@H](CC(=O)[O-])NC(=O)OC(C)(C)C)o1 ZINC000069603537 625176870 /nfs/dbraw/zinc/17/68/70/625176870.db2.gz HFCJOMYXOSLOKG-SECBINFHSA-N -1 0 269.297 2.629 50 0 CFAARM C[C@H](O[N-]C(=O)Cc1n[nH]c2c1CCCC2)c1ccccc1 ZINC000812411797 631708725 /nfs/dbraw/zinc/70/87/25/631708725.db2.gz BJQRVTJDPQDDEA-LBPRGKRZSA-N -1 0 299.374 2.640 50 0 CFAARM Cc1oc(CN(C)C(=O)/C=C/c2ccco2)cc1C(=O)[O-] ZINC000095970407 650981227 /nfs/dbraw/zinc/98/12/27/650981227.db2.gz MZFWIOZMDBUJHW-AATRIKPKSA-N -1 0 289.287 2.551 50 0 CFAARM O=C(Nc1ccc(F)cc1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000100451066 230391948 /nfs/dbraw/zinc/39/19/48/230391948.db2.gz PJZHRXCGUNXHAK-BUHFOSPRSA-N -1 0 298.273 2.686 50 0 CFAARM Cc1nc2[n-]c(SCc3ccccc3)nn2c(=O)c1C ZINC000095545578 185007949 /nfs/dbraw/zinc/00/79/49/185007949.db2.gz MUZYJLUEXWMYIK-UHFFFAOYSA-N -1 0 286.360 2.739 50 0 CFAARM COC(=O)N=c1[n-]nc(C=Cc2ccc(OC)cc2)s1 ZINC000095544900 185008484 /nfs/dbraw/zinc/00/84/84/185008484.db2.gz XQQTYWRRWPSJJH-VMPITWQZSA-N -1 0 291.332 2.895 50 0 CFAARM CC(C)(C)C[C@@H](CNC(=O)OC(C)(C)C)C(=O)[O-] ZINC000095919639 185032035 /nfs/dbraw/zinc/03/20/35/185032035.db2.gz GNXVWBCBVJMWHV-VIFPVBQESA-N -1 0 259.346 2.648 50 0 CFAARM CCc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)s1 ZINC000095939334 185034808 /nfs/dbraw/zinc/03/48/08/185034808.db2.gz WJDPYSUYLPXZND-UHFFFAOYSA-N -1 0 297.405 2.518 50 0 CFAARM Cc1cc(C)c(C(=O)Nc2ccc(C(=O)[O-])cc2)o1 ZINC000095969661 185047787 /nfs/dbraw/zinc/04/77/87/185047787.db2.gz IIZONWYBBSWPNT-UHFFFAOYSA-N -1 0 259.261 2.847 50 0 CFAARM C/C(=C/C(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000095969499 185047947 /nfs/dbraw/zinc/04/79/47/185047947.db2.gz MEIAZMUKGSLAQT-PRWOLLLXSA-N -1 0 291.322 2.552 50 0 CFAARM CC(C)[C@@H](NC(=O)CCc1cc(Cl)cs1)C(=O)[O-] ZINC000095969586 185048123 /nfs/dbraw/zinc/04/81/23/185048123.db2.gz CZSSGPKBDFQBSY-LLVKDONJSA-N -1 0 289.784 2.560 50 0 CFAARM CC(C)[C@H](NC(=O)CCc1cc(Cl)cs1)C(=O)[O-] ZINC000095969585 185048141 /nfs/dbraw/zinc/04/81/41/185048141.db2.gz 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ZINC000408525838 380941609 /nfs/dbraw/zinc/94/16/09/380941609.db2.gz VMBSPLIVEVWMJI-UHFFFAOYSA-N -1 0 296.330 2.562 50 0 CFAARM O=C([O-])c1cccn(Cc2ccc(Cl)cc2Cl)c1=O ZINC000000170486 169562681 /nfs/dbraw/zinc/56/26/81/169562681.db2.gz YSTQCTRTEYLKKA-UHFFFAOYSA-N -1 0 298.125 2.902 50 0 CFAARM Cc1nccn1CCOc1cc(Cl)ccc1C(=O)[O-] ZINC000049329294 412942005 /nfs/dbraw/zinc/94/20/05/412942005.db2.gz FIKOEFZIUFJCOD-UHFFFAOYSA-N -1 0 280.711 2.622 50 0 CFAARM O=C([O-])c1ccc(-c2nccnc2N2CCCCC2)cc1 ZINC000045796052 304230689 /nfs/dbraw/zinc/23/06/89/304230689.db2.gz ZUGFGTCKYFMVGD-UHFFFAOYSA-N -1 0 283.331 2.832 50 0 CFAARM CCOc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000292662 169599562 /nfs/dbraw/zinc/59/95/62/169599562.db2.gz IVEJRVMYSFAPPE-KGLIPLIRSA-N -1 0 291.347 2.915 50 0 CFAARM Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000355045 169615710 /nfs/dbraw/zinc/61/57/10/169615710.db2.gz NMSVJPDGNNFGNW-CHWSQXEVSA-N -1 0 259.305 2.601 50 0 CFAARM O=C([O-])[C@@H]1CCCN(C(=O)c2sccc2C2CC2)C1 ZINC000299744903 382041076 /nfs/dbraw/zinc/04/10/76/382041076.db2.gz VIRRYRNQVGFYEP-SNVBAGLBSA-N -1 0 279.361 2.562 50 0 CFAARM CN(C)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000398718 169630757 /nfs/dbraw/zinc/63/07/57/169630757.db2.gz XUYRYBKSIKYJMV-ZIAGYGMSSA-N -1 0 290.363 2.582 50 0 CFAARM O=C([O-])c1ccc(COCC(F)(F)C(F)F)cc1 ZINC000000465202 169647826 /nfs/dbraw/zinc/64/78/26/169647826.db2.gz WBQDFRPLOUVDKJ-UHFFFAOYSA-N -1 0 266.190 2.802 50 0 CFAARM Cc1occc1S([O-])=CC(=O)N[C@@H](C)c1ccccc1 ZINC000189653833 382632615 /nfs/dbraw/zinc/63/26/15/382632615.db2.gz ISXGSHOUHMQYJP-PRWKNARSSA-N -1 0 291.372 2.573 50 0 CFAARM Cc1occc1S([O-])=CC(=O)N[C@H](C)c1ccccc1 ZINC000189653871 382632686 /nfs/dbraw/zinc/63/26/86/382632686.db2.gz ISXGSHOUHMQYJP-BIBXISHDSA-N -1 0 291.372 2.573 50 0 CFAARM C[C@H](Cc1ccc(NC(=O)c2cccn2C)cc1)C(=O)[O-] ZINC000191386541 382699550 /nfs/dbraw/zinc/69/95/50/382699550.db2.gz CWVOEYYDYQJUSE-LLVKDONJSA-N -1 0 286.331 2.541 50 0 CFAARM CCc1oc(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cc1C ZINC000192951819 382713881 /nfs/dbraw/zinc/71/38/81/382713881.db2.gz DMSOCLYJDVPBNN-GFCCVEGCSA-N -1 0 299.326 2.979 50 0 CFAARM Cc1cccc(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC000195529849 382768867 /nfs/dbraw/zinc/76/88/67/382768867.db2.gz MLMSPAIKWCZGAX-MRXNPFEDSA-N -1 0 297.354 2.522 50 0 CFAARM CCS[C@@H]1CC[C@@H](NC(=O)c2cccc(O)c2)C1 ZINC000195556744 382769522 /nfs/dbraw/zinc/76/95/22/382769522.db2.gz PEGYXOSQYOYOKE-DGCLKSJQSA-N -1 0 265.378 2.796 50 0 CFAARM C/C=C(\C)C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000221724305 382799296 /nfs/dbraw/zinc/79/92/96/382799296.db2.gz UDCORKIHJGCGHX-XCVCLJGOSA-N -1 0 297.301 2.734 50 0 CFAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCc3ccc(F)cc32)o1 ZINC000241586435 304239231 /nfs/dbraw/zinc/23/92/31/304239231.db2.gz OVZMTACUWLLWIU-NSHDSACASA-N -1 0 289.262 2.534 50 0 CFAARM O=C([O-])C1(NC(=O)c2cc(Cl)sc2Cl)CCC1 ZINC000225475026 382816614 /nfs/dbraw/zinc/81/66/14/382816614.db2.gz KGRSQTMYPMXOGR-UHFFFAOYSA-N -1 0 294.159 2.792 50 0 CFAARM C[C@@H]1C[C@H]1C(=O)N(CCCC(=O)[O-])Cc1ccccc1 ZINC000237440561 382960601 /nfs/dbraw/zinc/96/06/01/382960601.db2.gz PDYMPTGVJSCTBN-TZMCWYRMSA-N -1 0 275.348 2.536 50 0 CFAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1ccsc1 ZINC000237982757 382975780 /nfs/dbraw/zinc/97/57/80/382975780.db2.gz PNBGPXGKTHTWBA-CYBMUJFWSA-N -1 0 295.404 2.927 50 0 CFAARM C[C@]1(C(=O)[O-])CCN(C(=O)CC/C=C/c2ccccc2)C1 ZINC000237775287 382970451 /nfs/dbraw/zinc/97/04/51/382970451.db2.gz VHDBGDMXBRYARG-MPNRVQBSSA-N -1 0 287.359 2.803 50 0 CFAARM CC(C)c1noc(=NCc2ccc3occc3c2)[n-]1 ZINC000552046932 383067267 /nfs/dbraw/zinc/06/72/67/383067267.db2.gz FCNMPPPBFBTOHV-UHFFFAOYSA-N -1 0 257.293 2.973 50 0 CFAARM C[C@@H]1CCC[C@H](NC(=O)c2ccccc2C(=O)[O-])[C@H]1C ZINC000248120241 383211755 /nfs/dbraw/zinc/21/17/55/383211755.db2.gz UXVGSHMNVDLSHF-SUNKGSAMSA-N -1 0 275.348 2.939 50 0 CFAARM Cc1ccsc1CN(CC(C)C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000426593818 383406905 /nfs/dbraw/zinc/40/69/05/383406905.db2.gz QSILJYFCQXWUCC-NSHDSACASA-N -1 0 298.408 2.697 50 0 CFAARM CC(=NNc1ccc(C(=O)[O-])cc1)c1ccc(O)cc1 ZINC000254307680 383466367 /nfs/dbraw/zinc/46/63/67/383466367.db2.gz MWNAGTIAJQLCHQ-UHFFFAOYSA-N -1 0 270.288 2.927 50 0 CFAARM N#CC(=NNc1ccc(C(=O)[O-])cc1)C(=O)c1ccccc1 ZINC000254618518 383468866 /nfs/dbraw/zinc/46/88/66/383468866.db2.gz NNTNTLZMELSERC-UHFFFAOYSA-N -1 0 293.282 2.559 50 0 CFAARM Cc1cc(C(=O)N[C@@H](CC2CC2)C(=O)[O-])c2ccccc2n1 ZINC000262581368 383628976 /nfs/dbraw/zinc/62/89/76/383628976.db2.gz YZWAFCRWSYUUGY-HNNXBMFYSA-N -1 0 298.342 2.526 50 0 CFAARM CC1(C)CCC[C@@H](CNC(=O)N2CCC(C(=O)[O-])CC2)C1 ZINC000263408769 383663408 /nfs/dbraw/zinc/66/34/08/383663408.db2.gz UKQQHFISLLFZAX-GFCCVEGCSA-N -1 0 296.411 2.709 50 0 CFAARM O=C([O-])c1ccc(N2CCC(C(F)(F)F)CC2)nc1 ZINC000014007919 304246404 /nfs/dbraw/zinc/24/64/04/304246404.db2.gz MARHVBGXLKSCAE-UHFFFAOYSA-N -1 0 274.242 2.559 50 0 CFAARM O=C([O-])c1cccc(CC2CCN(c3ncccn3)CC2)c1 ZINC000072165384 304259110 /nfs/dbraw/zinc/25/91/10/304259110.db2.gz HAQHIKYLGUBJAI-UHFFFAOYSA-N -1 0 297.358 2.634 50 0 CFAARM Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)ccc1C(=O)[O-] ZINC000120406831 412997441 /nfs/dbraw/zinc/99/74/41/412997441.db2.gz FJHOGEPUFKGPRZ-HUUCEWRRSA-N -1 0 296.326 2.830 50 0 CFAARM O=C([O-])c1ccccc1[C@H]1OC(=O)c2ccccc21 ZINC000019865029 304271880 /nfs/dbraw/zinc/27/18/80/304271880.db2.gz UBTNYTYIXDTYQT-CYBMUJFWSA-N -1 0 254.241 2.645 50 0 CFAARM O=C([O-])c1ccnc(N2CCCc3ccccc32)c1 ZINC000019845287 304273643 /nfs/dbraw/zinc/27/36/43/304273643.db2.gz HALUKXXFYBBZSI-UHFFFAOYSA-N -1 0 254.289 2.864 50 0 CFAARM O=C([O-])c1ccnc2cccc(Br)c21 ZINC000082046809 304273801 /nfs/dbraw/zinc/27/38/01/304273801.db2.gz RUMUBHNGWSKNGB-UHFFFAOYSA-N -1 0 252.067 2.696 50 0 CFAARM O=C([O-])c1ccc(CNC(=O)C[C@@H]2CCc3ccccc32)o1 ZINC000426526868 256859390 /nfs/dbraw/zinc/85/93/90/256859390.db2.gz MOTAKLDWVVAGHE-LBPRGKRZSA-N -1 0 299.326 2.714 50 0 CFAARM COc1ccc([C@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000095115803 184944387 /nfs/dbraw/zinc/94/43/87/184944387.db2.gz ULFRJFXOJUQQTK-CQSZACIVSA-N -1 0 258.273 2.617 50 0 CFAARM Cc1oc(CNC(=O)c2ccc(C)cc2F)cc1C(=O)[O-] ZINC000094913644 184892417 /nfs/dbraw/zinc/89/24/17/184892417.db2.gz DMANTGHAPUYXEJ-UHFFFAOYSA-N -1 0 291.278 2.664 50 0 CFAARM Cc1c2cccc(Cl)c2oc1C(=O)N[C@H](C)C(=O)[O-] ZINC000095425137 184978613 /nfs/dbraw/zinc/97/86/13/184978613.db2.gz JAIYWSJWRPYVEX-SSDOTTSWSA-N -1 0 281.695 2.598 50 0 CFAARM CC(C)(C)OC(=O)N(CCC(=O)[O-])Cc1ccccc1 ZINC000001529078 169711541 /nfs/dbraw/zinc/71/15/41/169711541.db2.gz BYHPOBHBBHWAIW-UHFFFAOYSA-N -1 0 279.336 2.898 50 0 CFAARM O=C([O-])c1nccn1-c1ccccc1C(F)(F)F ZINC000002528752 304284027 /nfs/dbraw/zinc/28/40/27/304284027.db2.gz XCSOQAKOGLQODQ-UHFFFAOYSA-N -1 0 256.183 2.589 50 0 CFAARM O=C([O-])c1nn(-c2cccc(Cl)c2F)c2c1CCC2 ZINC000020475926 304284845 /nfs/dbraw/zinc/28/48/45/304284845.db2.gz ZLYDWQYJOMPLSW-UHFFFAOYSA-N -1 0 280.686 2.852 50 0 CFAARM Cc1cc([C@@H](NC(=O)[C@H]2CC=CCC2)C(=O)[O-])ccc1F ZINC000263180721 131284851 /nfs/dbraw/zinc/28/48/51/131284851.db2.gz WYLCCHHSTTZDRX-SMDDNHRTSA-N -1 0 291.322 2.732 50 0 CFAARM COc1c(Cl)cc(Br)c(OC)c1C(=O)[O-] ZINC000000093133 393446708 /nfs/dbraw/zinc/44/67/08/393446708.db2.gz VOIBMJIPLSKRQL-UHFFFAOYSA-N -1 0 295.516 2.818 50 0 CFAARM O=C([O-])[C@]1(c2ccccc2)CC(=O)c2ccccc21 ZINC000000153422 393448206 /nfs/dbraw/zinc/44/82/06/393448206.db2.gz PSNYAPUGNMDSQZ-INIZCTEOSA-N -1 0 252.269 2.644 50 0 CFAARM COc1cccc(CC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000012752171 393474750 /nfs/dbraw/zinc/47/47/50/393474750.db2.gz YJXSWOIDEITKMV-UHFFFAOYSA-N -1 0 285.299 2.575 50 0 CFAARM CC(C)CC(=O)N1CCCc2c(C(=O)[O-])cccc21 ZINC000037395646 393530464 /nfs/dbraw/zinc/53/04/64/393530464.db2.gz MQQMZOXIPPKTCR-UHFFFAOYSA-N -1 0 261.321 2.710 50 0 CFAARM CC1(C)[C@H](c2nc(-c3ccccc3)no2)[C@@H]1C(=O)[O-] ZINC000061721834 393626389 /nfs/dbraw/zinc/62/63/89/393626389.db2.gz KSPRSMZRCAKRMX-VHSXEESVSA-N -1 0 258.277 2.561 50 0 CFAARM O=C([O-])[C@H]1C[C@H](NC(=O)C[C@@H]2C=CCC2)c2ccccc21 ZINC000653328800 413290557 /nfs/dbraw/zinc/29/05/57/413290557.db2.gz NEQDJHDQXGIEFP-UGFHNGPFSA-N -1 0 285.343 2.772 50 0 CFAARM CCOc1ccc(C(=O)N(CC)C[C@@H](C)C(=O)[O-])cc1C ZINC000089961062 286560520 /nfs/dbraw/zinc/56/05/20/286560520.db2.gz QBOFDZLGDNDJCW-GFCCVEGCSA-N -1 0 293.363 2.577 50 0 CFAARM O=C([O-])CCCCCNC(=O)c1ccccc1Cl ZINC000002323121 169785678 /nfs/dbraw/zinc/78/56/78/169785678.db2.gz QHWGGDIMBONNGY-UHFFFAOYSA-N -1 0 269.728 2.715 50 0 CFAARM C[C@@H](C1CC1)N(C(=O)CCC(=O)[O-])c1ccccc1 ZINC000002897133 169842716 /nfs/dbraw/zinc/84/27/16/169842716.db2.gz DBYMVBACMWMSRD-NSHDSACASA-N -1 0 261.321 2.683 50 0 CFAARM O=C([O-])c1cn(Cc2ccccc2)nc1-c1cccnc1 ZINC000003379455 169883529 /nfs/dbraw/zinc/88/35/29/169883529.db2.gz IATVJFJAXPSEFH-UHFFFAOYSA-N -1 0 279.299 2.692 50 0 CFAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ncccc1C ZINC000004744828 170010171 /nfs/dbraw/zinc/01/01/71/170010171.db2.gz LXQCDQUVXJCSKD-UHFFFAOYSA-N -1 0 292.360 2.508 50 0 CFAARM Cc1ccc(CCC(=O)Nc2ccccc2C(=O)[O-])o1 ZINC000005001296 170053463 /nfs/dbraw/zinc/05/34/63/170053463.db2.gz GVXVYMOCAAWBNQ-UHFFFAOYSA-N -1 0 273.288 2.858 50 0 CFAARM COc1ccc(-c2cc3[n-]cnc(=O)c3s2)cc1 ZINC000005080713 170064653 /nfs/dbraw/zinc/06/46/53/170064653.db2.gz YLBLDEDUUJNEOU-UHFFFAOYSA-N -1 0 258.302 2.660 50 0 CFAARM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)c1 ZINC000005353977 170089116 /nfs/dbraw/zinc/08/91/16/170089116.db2.gz RHPCFKLCFGKOKG-GFCCVEGCSA-N -1 0 264.325 2.534 50 0 CFAARM CCOC(=O)C=C([O-])c1ccc2cc(OC)ccc2c1 ZINC000005472626 170102918 /nfs/dbraw/zinc/10/29/18/170102918.db2.gz BXWPGZLRGRRMPR-UHFFFAOYSA-N -1 0 272.300 2.984 50 0 CFAARM COC(=O)N=c1[n-]nc(COc2ccc(Cl)cc2)s1 ZINC000005554984 170113016 /nfs/dbraw/zinc/11/30/16/170113016.db2.gz IBANLHDXNYRDPG-UHFFFAOYSA-N -1 0 299.739 2.949 50 0 CFAARM O=C([O-])C[C@H](Sc1nc[nH]n1)c1ccc(Cl)cc1 ZINC000005731157 170134648 /nfs/dbraw/zinc/13/46/48/170134648.db2.gz TUAKPXQSGOXVKB-VIFPVBQESA-N -1 0 283.740 2.766 50 0 CFAARM O=C(COc1ccccc1)c1c(=O)oc2ccccc2c1[O-] ZINC000005731467 170135081 /nfs/dbraw/zinc/13/50/81/170135081.db2.gz OVAPLXUQQCULLD-UHFFFAOYSA-N -1 0 296.278 2.760 50 0 CFAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000005731422 170135147 /nfs/dbraw/zinc/13/51/47/170135147.db2.gz DKXRDFRRCPUUKU-DOTOQJQBSA-N -1 0 295.338 2.861 50 0 CFAARM CC[C@@H](CC[C@@H](C)O)COC(=O)c1ccccc1C(=O)[O-] ZINC000005922920 170156014 /nfs/dbraw/zinc/15/60/14/170156014.db2.gz RYPQSGURZSTFSX-NEPJUHHUSA-N -1 0 294.347 2.729 50 0 in-vitro CFAARM CC(C)n1c2ccccc2nc1SCCC(=O)[O-] ZINC000006171406 170180010 /nfs/dbraw/zinc/18/00/10/170180010.db2.gz JUTALSFGQMPUPH-UHFFFAOYSA-O -1 0 265.358 2.603 50 0 CFAARM Cc1ccnc([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000006700147 170228754 /nfs/dbraw/zinc/22/87/54/170228754.db2.gz RRNXSXDVFIGONA-UHFFFAOYSA-N -1 0 276.361 2.808 50 0 CFAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)CCC2 ZINC000006700304 170229034 /nfs/dbraw/zinc/22/90/34/170229034.db2.gz 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/nfs/dbraw/zinc/29/95/21/170299521.db2.gz VXLRRJWEOSPDMN-UHFFFAOYSA-N -1 0 257.076 2.653 50 0 CFAARM CCc1cc(=O)n2[n-]c(C)c(-c3ccccc3OC)c2n1 ZINC000008586407 170342211 /nfs/dbraw/zinc/34/22/11/170342211.db2.gz AGMBBEIBOWDCOM-UHFFFAOYSA-N -1 0 283.331 2.569 50 0 CFAARM O=C([O-])C1(CC(=O)Nc2ccccc2CO)CCCCC1 ZINC000008987309 170360475 /nfs/dbraw/zinc/36/04/75/170360475.db2.gz GHMBWLCGGYLCCC-UHFFFAOYSA-N -1 0 291.347 2.543 50 0 CFAARM COc1cccc(-c2cc(=O)n(-c3ccc(F)cc3)[n-]2)c1 ZINC000008991279 170360821 /nfs/dbraw/zinc/36/08/21/170360821.db2.gz YMWRXCLSAICZKB-UHFFFAOYSA-N -1 0 284.290 2.980 50 0 CFAARM Cn1ccc([N-]S(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 ZINC000009378616 170375124 /nfs/dbraw/zinc/37/51/24/170375124.db2.gz HCIKJNIJCSOGGD-UHFFFAOYSA-N -1 0 293.392 2.518 50 0 CFAARM O=C([N-]n1c(=S)[nH]nc1-c1ccco1)c1cccs1 ZINC000009477594 170377832 /nfs/dbraw/zinc/37/78/32/170377832.db2.gz VAYQFZURLXDOMD-UHFFFAOYSA-N -1 0 292.345 2.646 50 0 CFAARM O=C([O-])C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F ZINC000009576525 170381820 /nfs/dbraw/zinc/38/18/20/170381820.db2.gz DCKLBQUDHCHYGE-SNVBAGLBSA-N -1 0 291.250 2.521 50 0 CFAARM Cc1nn(CC(F)F)c2nc(C3CC3)cc(C(=O)[O-])c12 ZINC000012396349 170484444 /nfs/dbraw/zinc/48/44/44/170484444.db2.gz GFMPMZIJFPKONN-UHFFFAOYSA-N -1 0 281.262 2.580 50 0 CFAARM CSc1nc(-c2cccs2)nc(C)c1C(=O)[O-] ZINC000012505733 170491736 /nfs/dbraw/zinc/49/17/36/170491736.db2.gz FDCAWGPFJRTRPR-UHFFFAOYSA-N -1 0 266.347 2.934 50 0 CFAARM COc1cccc(CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000013094573 170531556 /nfs/dbraw/zinc/53/15/56/170531556.db2.gz GLXDXNFBOWNZAN-UHFFFAOYSA-N -1 0 285.299 2.575 50 0 CFAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000013260815 170541494 /nfs/dbraw/zinc/54/14/94/170541494.db2.gz SOAXWJQEMQKGNE-GFCCVEGCSA-N -1 0 295.766 2.596 50 0 CFAARM CN(C)c1ccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)cc1 ZINC000013801971 170595428 /nfs/dbraw/zinc/59/54/28/170595428.db2.gz OPJAQFXUWQRSKZ-UHFFFAOYSA-N -1 0 298.342 2.632 50 0 CFAARM O=C([O-])[C@@H](c1ccccc1)n1cnc2ccccc21 ZINC000019409468 170788401 /nfs/dbraw/zinc/78/84/01/170788401.db2.gz BIZKTRSAFQSFOH-CQSZACIVSA-N -1 0 252.273 2.710 50 0 CFAARM O=C([O-])CCc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000019814467 170880488 /nfs/dbraw/zinc/88/04/88/170880488.db2.gz BJEMBZVCHGETQZ-UHFFFAOYSA-N -1 0 283.327 2.885 50 0 CFAARM COc1ccc(CCNc2nc(C)c(C(=O)[O-])s2)cc1 ZINC000020156528 171039445 /nfs/dbraw/zinc/03/94/45/171039445.db2.gz ATNXVHIKQSOKTC-UHFFFAOYSA-N -1 0 292.360 2.813 50 0 CFAARM O=C([O-])c1cccc(NC(=O)CCc2ccco2)c1 ZINC000020251117 171103766 /nfs/dbraw/zinc/10/37/66/171103766.db2.gz IMKREOLIBNHEAB-UHFFFAOYSA-N -1 0 259.261 2.549 50 0 CFAARM CC(C)(C)OC(=O)Nc1cnc(Cl)cc1C(=O)[O-] ZINC000020357739 171157458 /nfs/dbraw/zinc/15/74/58/171157458.db2.gz KOSPRFUMGCNGFJ-UHFFFAOYSA-N -1 0 272.688 2.780 50 0 CFAARM Cc1occc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000021954249 171341150 /nfs/dbraw/zinc/34/11/50/171341150.db2.gz SRTPZZYLHOBCMM-CYBMUJFWSA-N -1 0 273.288 2.534 50 0 CFAARM C[C@H](NC(=O)CC1(C(=O)[O-])CCCC1)c1cccs1 ZINC000035135306 172002240 /nfs/dbraw/zinc/00/22/40/172002240.db2.gz MOJIEZJZRDCVJE-JTQLQIEISA-N -1 0 281.377 2.960 50 0 CFAARM O=C([O-])CC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 ZINC000035570855 172266311 /nfs/dbraw/zinc/26/63/11/172266311.db2.gz DDNMNEBAJNRCIR-ZDUSSCGKSA-N -1 0 291.347 2.900 50 0 CFAARM COc1cc(NC(=O)C=C(C)C)c(Cl)cc1C(=O)[O-] ZINC000036329027 172614149 /nfs/dbraw/zinc/61/41/49/172614149.db2.gz ABEDCOPVBBOXKS-UHFFFAOYSA-N -1 0 283.711 2.952 50 0 CFAARM CN(CCCC(=O)[O-])C(=O)c1cc2ccccc2s1 ZINC000037416306 173193552 /nfs/dbraw/zinc/19/35/52/173193552.db2.gz HOIFFFDPKHQKAD-UHFFFAOYSA-N -1 0 277.345 2.838 50 0 CFAARM C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000037493985 173233952 /nfs/dbraw/zinc/23/39/52/173233952.db2.gz QGFKMAUBACDVMN-BPNCWPANSA-N -1 0 291.322 2.670 50 0 CFAARM COc1ccc(C(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000039238945 174167013 /nfs/dbraw/zinc/16/70/13/174167013.db2.gz FDCMZOYSEHNDCP-UHFFFAOYSA-N -1 0 272.256 2.613 50 0 CFAARM O=C([O-])c1ccc(Oc2nccnc2N2CCCC2)cc1 ZINC000040478899 174283383 /nfs/dbraw/zinc/28/33/83/174283383.db2.gz IEXIMTVTQGHCNA-UHFFFAOYSA-N -1 0 285.303 2.567 50 0 CFAARM Cc1ccsc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000043583650 175070512 /nfs/dbraw/zinc/07/05/12/175070512.db2.gz UVTUXGQAVNPJQV-LLVKDONJSA-N -1 0 281.377 2.774 50 0 CFAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc(F)c2)C1 ZINC000043583403 175070569 /nfs/dbraw/zinc/07/05/69/175070569.db2.gz PIYZNNCUSZXAFX-NSHDSACASA-N -1 0 279.311 2.543 50 0 CFAARM Cc1c(C(=O)[O-])[nH]c2c1C(=O)C[C@H](c1ccco1)C2 ZINC000045918792 175386325 /nfs/dbraw/zinc/38/63/25/175386325.db2.gz ZHANKMFFJIMLSZ-MRVPVSSYSA-N -1 0 259.261 2.527 50 0 CFAARM COc1ccc2nc(N3CCC[C@@H](C(=O)[O-])C3)sc2c1 ZINC000049452845 175478239 /nfs/dbraw/zinc/47/82/39/175478239.db2.gz DBRXERPCJNUORM-SECBINFHSA-N -1 0 292.360 2.606 50 0 CFAARM COc1ccccc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050921098 175519675 /nfs/dbraw/zinc/51/96/75/175519675.db2.gz SHNCSLJRLXDCCH-LBPRGKRZSA-N -1 0 291.347 2.555 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2.610 50 0 CFAARM O=C([O-])c1c2ccccc2nn1Cc1ccccc1 ZINC000077010896 177146402 /nfs/dbraw/zinc/14/64/02/177146402.db2.gz NXKZQTHAOMTVSZ-UHFFFAOYSA-N -1 0 252.273 2.783 50 0 CFAARM Cc1cc(F)ccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000006699155 261371524 /nfs/dbraw/zinc/37/15/24/261371524.db2.gz XOJNGFNJUPJPNF-VXGBXAGGSA-N -1 0 277.295 2.740 50 0 CFAARM C/C(=C\c1ccc(I)cc1)C(=O)[O-] ZINC000005479866 277730883 /nfs/dbraw/zinc/73/08/83/277730883.db2.gz AYDTUSBVGIWIOU-VOTSOKGWSA-N -1 0 288.084 2.779 50 0 CFAARM CC(C)(C)NC(=O)Nc1cc(C(=O)[O-])ccc1Cl ZINC000020256628 278367193 /nfs/dbraw/zinc/36/71/93/278367193.db2.gz UYFBRYHMQGKOMC-UHFFFAOYSA-N -1 0 270.716 2.958 50 0 CFAARM CC(C)(C)OC(=O)N1CCC[C@](CC2CC2)(C(=O)[O-])C1 ZINC000093116812 278395965 /nfs/dbraw/zinc/39/59/65/278395965.db2.gz KSEVVGDRNIFEFR-OAHLLOKOSA-N -1 0 283.368 2.888 50 0 CFAARM CC(C)(C)OC(=O)NCC1(CC(=O)[O-])CCCCC1 ZINC000002512920 278427224 /nfs/dbraw/zinc/42/72/24/278427224.db2.gz YOOHANJKYCQHED-UHFFFAOYSA-N -1 0 271.357 2.936 50 0 CFAARM CC(C)(C)OC(=O)N[C@@H]1CCCC[C@]1(C)C(=O)[O-] ZINC000090225721 278436814 /nfs/dbraw/zinc/43/68/14/278436814.db2.gz IXJBTLDTKNSTOS-RNCFNFMXSA-N -1 0 257.330 2.545 50 0 CFAARM CC(C)c1ccsc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000096479503 280652557 /nfs/dbraw/zinc/65/25/57/280652557.db2.gz JFRSSOBNUYYBRN-JTQLQIEISA-N -1 0 281.377 2.808 50 0 CFAARM CN(C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000000615355 288907198 /nfs/dbraw/zinc/90/71/98/288907198.db2.gz KLRIAJBIEGTVBD-STQMWFEESA-N -1 0 261.321 2.540 50 0 CFAARM Cn1c(=O)c2c3c(sc2[n-]c1=S)CCCC3 ZINC000000314349 294138333 /nfs/dbraw/zinc/13/83/33/294138333.db2.gz PFSZMGIUBHSQKS-UHFFFAOYSA-N -1 0 252.364 2.536 50 0 CFAARM COc1ccc(-c2cc(C(=O)[O-])c3c(C)nn(C)c3n2)cc1 ZINC000011567295 295046116 /nfs/dbraw/zinc/04/61/16/295046116.db2.gz PCYQGPIZKCGPCX-UHFFFAOYSA-N -1 0 297.314 2.651 50 0 CFAARM Cc1[nH]c2c(c1C(=O)[O-])C(=O)C[C@@H](c1ccccc1)C2 ZINC000022127065 300891156 /nfs/dbraw/zinc/89/11/56/300891156.db2.gz 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/nfs/dbraw/zinc/10/58/69/302105869.db2.gz OPLGDXIYOJUPRU-NWDGAFQWSA-N -1 0 259.305 2.601 50 0 CFAARM Cc1coc(CC(=O)[O-])c1C(=O)N[C@@H]1CCCCC1(C)C ZINC000262899164 302410582 /nfs/dbraw/zinc/41/05/82/302410582.db2.gz IPQQVIRXYCDVLI-GFCCVEGCSA-N -1 0 293.363 2.914 50 0 CFAARM Cc1nn(-c2ccccc2)c(-n2cccc2)c1C(=O)[O-] ZINC000005138066 302726170 /nfs/dbraw/zinc/72/61/70/302726170.db2.gz XHEADDCDQHQMOK-UHFFFAOYSA-N -1 0 267.288 2.670 50 0 CFAARM Cc1[n-]n2c(nc3c(c2=O)CCC3)c1-c1ccc(F)cc1 ZINC000018240737 302807442 /nfs/dbraw/zinc/80/74/42/302807442.db2.gz ZKSGEBLXLMHLGZ-UHFFFAOYSA-N -1 0 283.306 2.626 50 0 CFAARM Cc1[n-]n2c(nc(C)c(Cl)c2=O)c1-c1ccccc1 ZINC000091358826 302807461 /nfs/dbraw/zinc/80/74/61/302807461.db2.gz BEOSAMSFLBKFHO-UHFFFAOYSA-N -1 0 273.723 2.960 50 0 CFAARM O=c1[nH]nc2[n-]c(C(F)(F)F)cc(C(F)(F)F)c1-2 ZINC000004114446 304847518 /nfs/dbraw/zinc/84/75/18/304847518.db2.gz OPBHNLKZFXNZLY-UHFFFAOYSA-N -1 0 271.120 2.701 50 0 CFAARM COc1ccc(Cn2cc(-c3ccc(C(=O)[O-])o3)cn2)cc1 ZINC000534588916 328317010 /nfs/dbraw/zinc/31/70/10/328317010.db2.gz KGGYMDYWIPKUMB-UHFFFAOYSA-N -1 0 298.298 2.898 50 0 CFAARM C[C@@H](C(=O)[O-])n1cc(-c2cccc(-c3ccnn3C)c2)cn1 ZINC000534675016 328346073 /nfs/dbraw/zinc/34/60/73/328346073.db2.gz XYYGRAFJOZYPDF-NSHDSACASA-N -1 0 296.330 2.596 50 0 CFAARM Cc1n[nH]c(C)c1-c1ccc(OC(C)(C)C(=O)[O-])cc1 ZINC000534668905 328346504 /nfs/dbraw/zinc/34/65/04/328346504.db2.gz UEWWUBWYICQBOV-UHFFFAOYSA-N -1 0 274.320 2.936 50 0 CFAARM C[C@@H](C(=O)[O-])[C@H](NC(=O)c1cccs1)c1ccccc1 ZINC000195541903 324108270 /nfs/dbraw/zinc/10/82/70/324108270.db2.gz HDMNYAKKVQPUEY-MFKMUULPSA-N -1 0 289.356 2.940 50 0 CFAARM O=C([O-])c1c2ccccc2nc2c1N1CCC2CC1 ZINC000020440185 326862696 /nfs/dbraw/zinc/86/26/96/326862696.db2.gz JYFFIPNVWTULRW-UHFFFAOYSA-N -1 0 254.289 2.630 50 0 CFAARM Cc1cc([N-]S(=O)(=O)/C=C\c2ccc(C)cc2)no1 ZINC000096448163 534001344 /nfs/dbraw/zinc/00/13/44/534001344.db2.gz IRJIZHYNBCKTLH-FPLPWBNLSA-N -1 0 278.333 2.704 50 0 CFAARM C[C@@](NC(=O)CCc1ccc(Cl)cc1)(C(=O)[O-])C1CC1 ZINC000096494277 534260160 /nfs/dbraw/zinc/26/01/60/534260160.db2.gz YEHCYERKQPBCCZ-HNNXBMFYSA-N -1 0 295.766 2.642 50 0 CFAARM O=C([O-])[C@@H]1CCN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000262130962 526280736 /nfs/dbraw/zinc/28/07/36/526280736.db2.gz OBBOLGBNRGVPKM-SNVBAGLBSA-N -1 0 292.335 2.860 50 0 CFAARM O=C([O-])[C@H]1CCN(c2nc(-c3ccc(F)cc3)cs2)C1 ZINC000262130961 526327726 /nfs/dbraw/zinc/32/77/26/526327726.db2.gz OBBOLGBNRGVPKM-JTQLQIEISA-N -1 0 292.335 2.860 50 0 CFAARM CC[C@](NC(=O)c1coc(C)c1)(C(=O)[O-])c1ccccc1 ZINC000263211753 535876327 /nfs/dbraw/zinc/87/63/27/535876327.db2.gz WULGDFNVFLRXGL-MRXNPFEDSA-N -1 0 287.315 2.708 50 0 CFAARM C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000237375524 600550950 /nfs/dbraw/zinc/55/09/50/600550950.db2.gz GNKNVGXXDMQZRV-RISCZKNCSA-N -1 0 291.347 2.919 50 0 CFAARM O=C([O-])[C@H]1CC=C(Cl)C[C@H]1C(=O)NCc1ccccc1 ZINC000004197398 618349096 /nfs/dbraw/zinc/34/90/96/618349096.db2.gz 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CC(C)(C)OC(=O)N=c1[nH]c2c(s1)C[C@H](C(=O)[O-])CC2 ZINC000096029262 185067564 /nfs/dbraw/zinc/06/75/64/185067564.db2.gz GVHQFEJYCMAKHM-SSDOTTSWSA-N -1 0 298.364 2.680 50 0 CFAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000096869966 185118905 /nfs/dbraw/zinc/11/89/05/185118905.db2.gz FAWKEDOABDTXJB-XURPKSDJSA-N -1 0 293.750 2.819 50 0 CFAARM O=C([O-])[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 ZINC000097001630 185150651 /nfs/dbraw/zinc/15/06/51/185150651.db2.gz STVSKEWOTVNITG-HNNXBMFYSA-N -1 0 294.310 2.724 50 0 CFAARM O=C([O-])CCc1ccc(NC(=O)C2CC=CC2)cc1 ZINC000097018966 185152560 /nfs/dbraw/zinc/15/25/60/185152560.db2.gz PRQQFFRKBGXRGB-UHFFFAOYSA-N -1 0 259.305 2.609 50 0 CFAARM O=C([O-])c1ccc(CNC(=O)c2cccc(F)c2Cl)o1 ZINC000097018875 185152841 /nfs/dbraw/zinc/15/28/41/185152841.db2.gz NURHBCFTDWXDAF-UHFFFAOYSA-N -1 0 297.669 2.700 50 0 CFAARM CCC(CC)(CNC(=O)Cc1ccccc1C)C(=O)[O-] ZINC000097020651 185152970 /nfs/dbraw/zinc/15/29/70/185152970.db2.gz GAFXQUVSSBDNPJ-UHFFFAOYSA-N -1 0 277.364 2.545 50 0 CFAARM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1cc(C)ccc1C ZINC000096480248 529492921 /nfs/dbraw/zinc/49/29/21/529492921.db2.gz QLWYCAZOGGTYNR-INIZCTEOSA-N -1 0 277.364 2.606 50 0 CFAARM COc1ccc(CCCc2n[n-]c(=S)o2)cc1C ZINC000013153888 539367335 /nfs/dbraw/zinc/36/73/35/539367335.db2.gz VYLUYDMSDPECMN-UHFFFAOYSA-N -1 0 264.350 2.851 50 0 CFAARM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)[C@@H]1CCCO[C@H]1C ZINC000668283764 539409375 /nfs/dbraw/zinc/40/93/75/539409375.db2.gz XFRGFIVAZSMQIU-NWDGAFQWSA-N -1 0 291.347 2.755 50 0 CFAARM O=C([O-])[C@H](CNC(=O)c1ccsc1Cl)CC1CC1 ZINC000668293598 539413716 /nfs/dbraw/zinc/41/37/16/539413716.db2.gz FMFUQFSGSFHTFG-QMMMGPOBSA-N -1 0 287.768 2.632 50 0 CFAARM C[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1 ZINC000097039561 185511571 /nfs/dbraw/zinc/51/15/71/185511571.db2.gz JACHKSGLGPGJOA-MCIONIFRSA-N -1 0 281.396 2.916 50 0 CFAARM N#Cc1ccc(C(=O)[O-])nc1/C=C/c1ccsc1 ZINC000031732928 346296911 /nfs/dbraw/zinc/29/69/11/346296911.db2.gz 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/nfs/dbraw/zinc/14/61/02/348146102.db2.gz CHFZMHFASLZQNL-RGCXAAHVSA-N -1 0 287.359 2.921 50 0 CFAARM O=C([O-])c1cc(C(F)(F)F)cnc1Br ZINC000238630586 348248010 /nfs/dbraw/zinc/24/80/10/348248010.db2.gz IDVQSSYHTIIGLS-UHFFFAOYSA-N -1 0 270.004 2.561 50 0 CFAARM O=C([O-])c1cccc(CN2CCCC[C@@H]2c2cccnc2)n1 ZINC000584897012 348730820 /nfs/dbraw/zinc/73/08/20/348730820.db2.gz KBZCSYAZVLPYTA-MRXNPFEDSA-N -1 0 297.358 2.902 50 0 CFAARM CCCCc1c(C)[n-]n(-c2nc(C)cc(C)n2)c1=O ZINC000100127618 282976263 /nfs/dbraw/zinc/97/62/63/282976263.db2.gz YYANIGZSZZJWEO-LBPRGKRZSA-N -1 0 260.341 2.622 50 0 CFAARM Cc1cc(N(C)C[C@H]2CCOC2)nc(-c2ccccc2[O-])n1 ZINC000091604343 180203519 /nfs/dbraw/zinc/20/35/19/180203519.db2.gz ZWLZJDISPBGDEK-CYBMUJFWSA-N -1 0 299.374 2.630 50 0 CFAARM O=C([O-])[C@@H]1CN(c2nc3ccccc3s2)C[C@H]1C1CC1 ZINC000092078659 180318540 /nfs/dbraw/zinc/31/85/40/180318540.db2.gz WEVRJKUCPRPFHF-WDEREUQCSA-N -1 0 288.372 2.843 50 0 CFAARM CN(Cc1cccc(F)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000108655428 186226161 /nfs/dbraw/zinc/22/61/61/186226161.db2.gz FDKCCUMBNAPDTN-CHWSQXEVSA-N -1 0 293.338 2.675 50 0 CFAARM Cc1c(/C=C\c2cnnn2C)nc2ccccc2c1C(=O)[O-] ZINC000606441943 351270443 /nfs/dbraw/zinc/27/04/43/351270443.db2.gz FMUYIIGTVZPYQC-FPLPWBNLSA-N -1 0 294.314 2.540 50 0 CFAARM O=C([O-])C1(Br)C23CC=CCC12CC=CC3 ZINC000045071153 304027433 /nfs/dbraw/zinc/02/74/33/304027433.db2.gz WVZYSGROWBXVNV-UHFFFAOYSA-N -1 0 269.138 2.891 50 0 CFAARM O=C([O-])c1csc(Nc2cc(F)cc(F)c2)n1 ZINC000155816031 188229011 /nfs/dbraw/zinc/22/90/11/188229011.db2.gz ZTRXYXVUWRYNDJ-UHFFFAOYSA-N -1 0 256.233 2.863 50 0 CFAARM Cc1cc(C)c(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)s1 ZINC000630203219 355027759 /nfs/dbraw/zinc/02/77/59/355027759.db2.gz SFVCHKWOKNKRJG-NWDGAFQWSA-N -1 0 293.388 2.548 50 0 CFAARM O=C([O-])CC1(CC(=O)Nc2nccs2)CCCCC1 ZINC000001667780 304043512 /nfs/dbraw/zinc/04/35/12/304043512.db2.gz PEZKTMPKCCFXAV-UHFFFAOYSA-N -1 0 282.365 2.897 50 0 CFAARM 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372777501 /nfs/dbraw/zinc/77/75/01/372777501.db2.gz VTRVUNGMWPPWGP-OAHLLOKOSA-N -1 0 277.320 2.510 50 0 CFAARM C[C@]1(C(=O)[O-])CCCN(C(=O)OCc2ccccc2)C1 ZINC000039351817 372778078 /nfs/dbraw/zinc/77/80/78/372778078.db2.gz VTRVUNGMWPPWGP-HNNXBMFYSA-N -1 0 277.320 2.510 50 0 CFAARM C[C@@H](CN(C)C(=O)c1csc2ccccc12)C(=O)[O-] ZINC000042890392 372966948 /nfs/dbraw/zinc/96/69/48/372966948.db2.gz POQQSKWLWYTXGV-VIFPVBQESA-N -1 0 277.345 2.694 50 0 CFAARM COc1c(C)cc(C(=O)C[C@H](C)CC(=O)[O-])cc1C ZINC000043214274 372983336 /nfs/dbraw/zinc/98/33/36/372983336.db2.gz PTKUZLIQZXTSIJ-VIFPVBQESA-N -1 0 264.321 2.996 50 0 CFAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccsc1 ZINC000049843415 373321425 /nfs/dbraw/zinc/32/14/25/373321425.db2.gz NZNXKYZKDBUDCD-ZDUSSCGKSA-N -1 0 287.340 2.572 50 0 CFAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1Cl ZINC000003863549 304176235 /nfs/dbraw/zinc/17/62/35/304176235.db2.gz VFJSZKPJLPFCFG-ZJUUUORDSA-N -1 0 279.723 2.946 50 0 CFAARM O=C([O-])[C@H]1CCCCC[C@H]1NC(=O)c1cccs1 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0 CFAARM C[C@@H](CN(C(=O)c1ccccc1Cl)C1CC1)C(=O)[O-] ZINC000071732254 176256455 /nfs/dbraw/zinc/25/64/55/176256455.db2.gz QIYUUUJRHYHHRX-VIFPVBQESA-N -1 0 281.739 2.665 50 0 CFAARM CCCC(=O)N1CC[C@@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072151099 176327391 /nfs/dbraw/zinc/32/73/91/176327391.db2.gz PBDMCWGBRJPVDY-ZDUSSCGKSA-N -1 0 275.348 2.576 50 0 CFAARM CC(=O)Nc1nc(C)c(Oc2ccc(C)cc2)c(=O)[n-]1 ZINC000013469668 275798099 /nfs/dbraw/zinc/79/80/99/275798099.db2.gz IUPWLIOJYRLKRU-UHFFFAOYSA-N -1 0 273.292 2.550 50 0 CFAARM CC(C)(C)OC(=O)N1CCC[C@H]1c1n[n-]c(=S)o1 ZINC000003882642 278395635 /nfs/dbraw/zinc/39/56/35/278395635.db2.gz VGGMWALYBMDYCA-ZETCQYMHSA-N -1 0 271.342 2.804 50 0 CFAARM CC(C)(C)OC(=O)N1Cc2ccccc2[C@@H]1C(=O)[O-] ZINC000012954549 278419802 /nfs/dbraw/zinc/41/98/02/278419802.db2.gz BBMCBMREDOQCDU-LLVKDONJSA-N -1 0 263.293 2.563 50 0 CFAARM CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000002384273 278441416 /nfs/dbraw/zinc/44/14/16/278441416.db2.gz VMOVYASDUSWBOL-ABAIWWIYSA-N -1 0 277.320 2.522 50 0 CFAARM CC(C)(C)[C@H]1CCCN1C(=O)CC1(C(=O)[O-])CCC1 ZINC000263523479 278543819 /nfs/dbraw/zinc/54/38/19/278543819.db2.gz IMMMXSWSFQCLDD-LLVKDONJSA-N -1 0 267.369 2.669 50 0 CFAARM CC(C)(C)c1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])no1 ZINC000006731286 278558599 /nfs/dbraw/zinc/55/85/99/278558599.db2.gz NEDYCXBBXAJTBT-ZJUUUORDSA-N -1 0 292.335 2.578 50 0 CFAARM CC(C)(C)c1ccc(S(=O)(=O)[O-])c(C(C)(C)C)n1 ZINC000002023691 278561152 /nfs/dbraw/zinc/56/11/52/278561152.db2.gz ALIOSIQUHNKJSY-UHFFFAOYSA-N -1 0 271.382 2.923 50 0 CFAARM CC(C)c1nc(C(=O)[O-])nn1-c1ccccc1Cl ZINC000036879228 280661881 /nfs/dbraw/zinc/66/18/81/280661881.db2.gz LVSSPVOKEFXJHF-UHFFFAOYSA-N -1 0 265.700 2.742 50 0 CFAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C2CCCCC2)C1 ZINC000247248146 281008191 /nfs/dbraw/zinc/00/81/91/281008191.db2.gz YDKCQXBLCJDOID-HZSPNIEDSA-N -1 0 279.380 2.526 50 0 CFAARM CC12CC3(C)CC(C)(C1)CC(C(=O)NCC(=O)[O-])(C2)C3 ZINC000005043574 281610895 /nfs/dbraw/zinc/61/08/95/281610895.db2.gz UAADLZTZNMDVDA-UHFFFAOYSA-N -1 0 279.380 2.574 50 0 CFAARM COc1ccc(Br)c2cc(C(=O)[O-])[nH]c21 ZINC000004237898 295076136 /nfs/dbraw/zinc/07/61/36/295076136.db2.gz WZNIZZMLOIMBAK-UHFFFAOYSA-N -1 0 270.082 2.637 50 0 CFAARM Cc1cc(C)c(C(=O)[O-])cc1I ZINC000044560047 301172985 /nfs/dbraw/zinc/17/29/85/301172985.db2.gz VBULVYTZMDVWSK-UHFFFAOYSA-N -1 0 276.073 2.606 50 0 CFAARM Cc1cc(C)c(I)c(C(=O)[O-])c1 ZINC000000409816 301183321 /nfs/dbraw/zinc/18/33/21/301183321.db2.gz BIZQUVFMTMOTGY-UHFFFAOYSA-N -1 0 276.073 2.606 50 0 CFAARM Cc1cc(C)cc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)c1 ZINC000011566326 301225192 /nfs/dbraw/zinc/22/51/92/301225192.db2.gz RKWZZZFAHGCBGS-UHFFFAOYSA-N -1 0 295.294 2.802 50 0 CFAARM Cc1ccc(-n2[n-]c(C(F)(F)F)cc2=O)cc1C ZINC000017879191 301476526 /nfs/dbraw/zinc/47/65/26/301476526.db2.gz OHQBMJKDZOXXCB-UHFFFAOYSA-N -1 0 256.227 2.801 50 0 CFAARM Cc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000355043 301643384 /nfs/dbraw/zinc/64/33/84/301643384.db2.gz NMSVJPDGNNFGNW-QWHCGFSZSA-N -1 0 259.305 2.601 50 0 CFAARM Cc1ccc2c(C)nc(N3CCC[C@H](C(=O)[O-])C3)nc2c1 ZINC000299760668 301873947 /nfs/dbraw/zinc/87/39/47/301873947.db2.gz QGPCAVAKTHYRAO-LBPRGKRZSA-N -1 0 285.347 2.548 50 0 CFAARM Cn1nc(-c2ccc(Br)cc2)cc1C(=O)[O-] ZINC000026420215 303040371 /nfs/dbraw/zinc/04/03/71/303040371.db2.gz KHQBPENCMPTSCW-UHFFFAOYSA-N -1 0 281.109 2.548 50 0 CFAARM Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)[O-])s1 ZINC000003643763 303502602 /nfs/dbraw/zinc/50/26/02/303502602.db2.gz XCDLQBPCFGMSKB-UHFFFAOYSA-N -1 0 268.725 2.673 50 0 CFAARM Nc1nc(C(=O)[O-])c(-c2ccc(Cl)cc2)s1 ZINC000008763350 303503011 /nfs/dbraw/zinc/50/30/11/303503011.db2.gz WSUPUSJWNYAWCU-UHFFFAOYSA-N -1 0 254.698 2.744 50 0 CFAARM O=C([O-])c1cncc(-c2cccc(Cl)c2F)n1 ZINC000534647964 328343202 /nfs/dbraw/zinc/34/32/02/328343202.db2.gz KDENFHCCXDPCBD-UHFFFAOYSA-N -1 0 252.632 2.634 50 0 CFAARM COc1c(C)cc(-c2c(C)nn(C)c2C(=O)[O-])cc1C ZINC000534670832 328347220 /nfs/dbraw/zinc/34/72/20/328347220.db2.gz XMPJNQWHDRAHMA-UHFFFAOYSA-N -1 0 274.320 2.719 50 0 CFAARM Cc1cc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)oc1C ZINC000195551181 324108174 /nfs/dbraw/zinc/10/81/74/324108174.db2.gz QJINXXHAUUCKQS-UHFFFAOYSA-N -1 0 287.315 2.867 50 0 CFAARM CN(CCCC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000195529638 324108337 /nfs/dbraw/zinc/10/83/37/324108337.db2.gz RYNJLFBOWSIMIT-RYUDHWBXSA-N -1 0 295.766 2.767 50 0 CFAARM COc1ccc(OC)c(C(=O)CCCCC(=O)[O-])c1 ZINC000001755209 326795317 /nfs/dbraw/zinc/79/53/17/326795317.db2.gz WKCHCGWWPRZTBN-UHFFFAOYSA-N -1 0 266.293 2.532 50 0 CFAARM O=C([O-])c1nccnc1NC1(C2CCCCC2)CC1 ZINC000828571141 782097467 /nfs/dbraw/zinc/09/74/67/782097467.db2.gz AQLJNVBEHVHRSQ-UHFFFAOYSA-N -1 0 261.325 2.700 50 0 CFAARM