smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1c(C)cccc1F ZINC000323141244 970970619 /nfs/dbraw/zinc/97/06/19/970970619.db2.gz DQNSTVOXCKTMTI-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000324856641 971164122 /nfs/dbraw/zinc/16/41/22/971164122.db2.gz LPMKWQMHKOVOKM-UHFFFAOYSA-N -2 3 349.408 2.958 20 0 EFADHL O=C([O-])[C@@H](C(=O)Nc1ccc(Br)cc1[O-])C1CCCC1 ZINC001594836041 954025788 /nfs/dbraw/zinc/02/57/88/954025788.db2.gz OJHLEZJEEKXDJL-GFCCVEGCSA-N -2 3 342.189 2.984 20 0 EFADHL O=C([O-])C1(NCc2nnc(-c3ccccc3[O-])o2)CCCCCC1 ZINC001594883373 954447586 /nfs/dbraw/zinc/44/75/86/954447586.db2.gz OLGWHCFOUNXQOS-UHFFFAOYSA-N -2 3 331.372 2.709 20 0 EFADHL O=C([O-])[C@H]1CCN(C(=O)c2nnc3ccccc3c2[O-])c2ccccc21 ZINC001594932581 954824018 /nfs/dbraw/zinc/82/40/18/954824018.db2.gz CUXFXHZSXSNFDZ-LBPRGKRZSA-N -2 3 349.346 2.554 20 0 EFADHL CC1(C)CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000386943784 972092874 /nfs/dbraw/zinc/09/28/74/972092874.db2.gz RQZBSBYDHJAGIJ-SECBINFHSA-N -2 3 347.383 2.768 20 0 EFADHL C[C@H](CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001589064733 955745993 /nfs/dbraw/zinc/74/59/93/955745993.db2.gz ZRNNUHJNMXVWTQ-CYBMUJFWSA-N -2 3 327.380 2.628 20 0 EFADHL CC1(C)C([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C1(C)C ZINC000388201967 972160379 /nfs/dbraw/zinc/16/03/79/972160379.db2.gz OUXGPWGLQRDSPA-UHFFFAOYSA-N -2 3 349.811 2.890 20 0 EFADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001589218946 956750379 /nfs/dbraw/zinc/75/03/79/956750379.db2.gz VSRJCTQFHOOTFG-QGZVFWFLSA-N -2 3 340.339 2.657 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2CCCCCC2)c1F ZINC000389401065 972223266 /nfs/dbraw/zinc/22/32/66/972223266.db2.gz IEWHTRZWLOAAJN-UHFFFAOYSA-N -2 3 347.383 2.912 20 0 EFADHL CCC[C@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000036340087 957232279 /nfs/dbraw/zinc/23/22/79/957232279.db2.gz CRQKXHUXOGPERO-LBPRGKRZSA-N -2 3 340.228 2.915 20 0 EFADHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000037370777 957272296 /nfs/dbraw/zinc/27/22/96/957272296.db2.gz JCOBZCCNAZCRND-UHFFFAOYSA-N -2 3 337.300 2.664 20 0 EFADHL O=C([O-])CC1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCC1 ZINC000084147008 957860442 /nfs/dbraw/zinc/86/04/42/957860442.db2.gz OUQFMYVYICUYCJ-UHFFFAOYSA-N -2 3 335.784 2.545 20 0 EFADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCC1 ZINC000084147003 957861094 /nfs/dbraw/zinc/86/10/94/957861094.db2.gz BPRJLRQNBZLTAH-UHFFFAOYSA-N -2 3 335.784 2.545 20 0 EFADHL O=C([O-])[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000085326218 957895536 /nfs/dbraw/zinc/89/55/36/957895536.db2.gz QZECWLDTUOURNU-CBAPKCEASA-N -2 3 338.212 2.525 20 0 EFADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000392160480 972418357 /nfs/dbraw/zinc/41/83/57/972418357.db2.gz KJCJNVHHEDSEFK-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001594220086 959362559 /nfs/dbraw/zinc/36/25/59/959362559.db2.gz MRBKVSKZIDETSG-PRHODGIISA-N -2 3 337.759 2.590 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2c[n-]c3ccccc3c2=O)c(F)cc1F ZINC000392285608 972463448 /nfs/dbraw/zinc/46/34/48/972463448.db2.gz VZYMTNUGOKWJDM-UHFFFAOYSA-N -2 3 344.273 2.757 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2cccs2)c(F)cc1Cl ZINC001259212504 960662559 /nfs/dbraw/zinc/66/25/59/960662559.db2.gz POZVTJUMDCWMNB-UHFFFAOYSA-N -2 3 349.792 2.717 20 0 EFADHL CC[C@@]1(C(=O)[O-])CCCN(Cc2ncc(Br)cc2[O-])C1 ZINC001573822730 960978309 /nfs/dbraw/zinc/97/83/09/960978309.db2.gz SNNYWXWLHPVTFD-CQSZACIVSA-N -2 3 343.221 2.627 20 0 EFADHL Cc1ccc(C(=O)N[C@@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001571174953 962091281 /nfs/dbraw/zinc/09/12/81/962091281.db2.gz AENLUTFXBGEURS-XJKSGUPXSA-N -2 3 327.380 2.762 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C(C)C)C2)oc1C(=O)[O-] ZINC001571187665 962226961 /nfs/dbraw/zinc/22/69/61/962226961.db2.gz LEMOYDPQKFUMJB-NEPJUHHUSA-N -2 3 329.418 2.779 20 0 EFADHL O=C([O-])[C@]1(C(=O)Nc2ccc(Br)cc2[O-])CC=CCC1 ZINC001574632890 962302935 /nfs/dbraw/zinc/30/29/35/962302935.db2.gz CWNDSWRRRKGVAL-CQSZACIVSA-N -2 3 340.173 2.904 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC001549039772 962944182 /nfs/dbraw/zinc/94/41/82/962944182.db2.gz APKQPTHACRRMJK-DLBZAZTESA-N -2 3 339.391 2.895 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C(C2CC2)C2CC2)c1F ZINC000314819607 963815710 /nfs/dbraw/zinc/81/57/10/963815710.db2.gz QMALWHKFWNGHIW-UHFFFAOYSA-N -2 3 347.795 2.644 20 0 EFADHL CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000316966963 964081374 /nfs/dbraw/zinc/08/13/74/964081374.db2.gz ZFUPGWGNXFBZMS-VHSXEESVSA-N -2 3 346.474 2.725 20 0 EFADHL CC(C)CCCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000317015078 964086887 /nfs/dbraw/zinc/08/68/87/964086887.db2.gz QPEMKQISFCJUHO-UHFFFAOYSA-N -2 3 335.372 2.768 20 0 EFADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000317407451 970355724 /nfs/dbraw/zinc/35/57/24/970355724.db2.gz MCUZFDYGMWTJLI-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000319521812 970544253 /nfs/dbraw/zinc/54/42/53/970544253.db2.gz DKRRLTUOKMAVFK-KYZUINATSA-N -2 3 333.356 2.520 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000319825679 970576908 /nfs/dbraw/zinc/57/69/08/970576908.db2.gz MMOWXKRZOSVSSU-UHFFFAOYSA-N -2 3 335.381 2.649 20 0 EFADHL O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2cccc(F)c2)c1F ZINC000319875899 970583889 /nfs/dbraw/zinc/58/38/89/970583889.db2.gz IOEOJJHHUGUSIY-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C[C@@H]1C ZINC000321323075 970761826 /nfs/dbraw/zinc/76/18/26/970761826.db2.gz OQKNOOUMZGBINS-KXUCPTDWSA-N -2 3 347.383 2.766 20 0 EFADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)C3(CC(=O)[O-])CCC3)c2)n1 ZINC001605092373 972742628 /nfs/dbraw/zinc/74/26/28/972742628.db2.gz LSGLPYQUXZBDSV-UHFFFAOYSA-N -2 3 342.351 2.708 20 0 EFADHL CC1(C)CC([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C1 ZINC000395165289 972779397 /nfs/dbraw/zinc/77/93/97/972779397.db2.gz CGBQPVURVGQZCS-UHFFFAOYSA-N -2 3 335.784 2.644 20 0 EFADHL CC(C)Oc1ccccc1C(F)(F)C(=O)[N-]c1cc(C(=O)[O-])no1 ZINC001591801976 976020496 /nfs/dbraw/zinc/02/04/96/976020496.db2.gz ZBOIELPUJNFVNR-UHFFFAOYSA-N -2 3 340.282 2.891 20 0 EFADHL CC(C)c1ccc(C(=O)N(CCC(F)(F)F)CC(=O)[O-])c([O-])c1 ZINC001591941667 976461412 /nfs/dbraw/zinc/46/14/12/976461412.db2.gz AOGYCEMWRHJACS-UHFFFAOYSA-N -2 3 333.306 2.995 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2cccc(O)c2)c([O-])c1 ZINC001591942567 976469873 /nfs/dbraw/zinc/46/98/73/976469873.db2.gz UNQMXVFUTMMYRK-MRXNPFEDSA-N -2 3 329.352 2.777 20 0 EFADHL CC(C)c1ccc(C(=O)NCC2(CC(=O)[O-])CCOCC2)c([O-])c1 ZINC001591943630 976482404 /nfs/dbraw/zinc/48/24/04/976482404.db2.gz ZEPQSOUYMPGUPA-UHFFFAOYSA-N -2 3 335.400 2.517 20 0 EFADHL CC(C)c1ccc(C(=O)N(C)[C@H](COC2CCC2)C(=O)[O-])c([O-])c1 ZINC001591943878 976485378 /nfs/dbraw/zinc/48/53/78/976485378.db2.gz WYSSRPPWQAYADC-OAHLLOKOSA-N -2 3 335.400 2.610 20 0 EFADHL Cc1cc(NC(=O)c2cc([O-])cc(Br)c2)c(C(=O)[O-])[nH]1 ZINC000700688914 976964266 /nfs/dbraw/zinc/96/42/66/976964266.db2.gz JEVWDMIVBGKUGG-UHFFFAOYSA-N -2 3 339.145 2.742 20 0 EFADHL COC(C)(C)CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000798247823 978835384 /nfs/dbraw/zinc/83/53/84/978835384.db2.gz XMZHXZZHWYCROD-UHFFFAOYSA-N -2 3 337.397 2.705 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C/c2ccccc2F)c1O ZINC000799924428 978845868 /nfs/dbraw/zinc/84/58/68/978845868.db2.gz CTRUUKWCYLDAOK-CMDGGOBGSA-N -2 3 337.328 2.642 20 0 EFADHL C[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCC[C@@H]1C(=O)[O-] ZINC000833571041 979206293 /nfs/dbraw/zinc/20/62/93/979206293.db2.gz JTEPNZRKXVVAMH-YMTOWFKASA-N -2 3 349.811 2.791 20 0 EFADHL CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1cc(Cl)c(Cl)[n-]1 ZINC001595044597 979249103 /nfs/dbraw/zinc/24/91/03/979249103.db2.gz YBIJXHJVWDKODG-UHFFFAOYSA-N -2 3 336.171 2.938 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)c2ccc(F)cc2)oc1C(=O)[O-] ZINC000853230701 979601585 /nfs/dbraw/zinc/60/15/85/979601585.db2.gz AFHLITCEGVEOSB-UHFFFAOYSA-N -2 3 341.360 2.639 20 0 EFADHL CCC1CCC(NC(=O)c2cc(NC(C)=O)ccc2[O-])(C(=O)[O-])CC1 ZINC001595424934 981044175 /nfs/dbraw/zinc/04/41/75/981044175.db2.gz VVDBLGCZYQJLMR-UHFFFAOYSA-N -2 3 348.399 2.504 20 0 EFADHL CC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595444635 981089580 /nfs/dbraw/zinc/08/95/80/981089580.db2.gz SNZHZGPIYNTYNT-NWDGAFQWSA-N -2 3 329.418 2.781 20 0 EFADHL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1ccc(CC)cc1[O-] ZINC001596912142 985915800 /nfs/dbraw/zinc/91/58/00/985915800.db2.gz AZBNMDCIVZXUEG-CYBMUJFWSA-N -2 3 337.416 2.544 20 0 EFADHL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1ccc(CC)cc1[O-] ZINC001596912144 985916487 /nfs/dbraw/zinc/91/64/87/985916487.db2.gz AZBNMDCIVZXUEG-ZDUSSCGKSA-N -2 3 337.416 2.544 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1[O-] ZINC001589275405 985981732 /nfs/dbraw/zinc/98/17/32/985981732.db2.gz BIFSGCPAEHUYAE-INIZCTEOSA-N -2 3 345.326 2.598 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1[O-] ZINC001589276205 985987672 /nfs/dbraw/zinc/98/76/72/985987672.db2.gz RFVKFBUHVASGLZ-QGZVFWFLSA-N -2 3 341.363 2.767 20 0 EFADHL Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001599971504 986014978 /nfs/dbraw/zinc/01/49/78/986014978.db2.gz VPQLNNHAMGLYIJ-DTWKUNHWSA-N -2 3 342.189 2.903 20 0 EFADHL C[C@H](C(=O)[O-])N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCC1 ZINC001589476274 986974443 /nfs/dbraw/zinc/97/44/43/986974443.db2.gz AHVUVYYQNUQPQC-MRVPVSSYSA-N -2 3 331.290 2.879 20 0 EFADHL C[C@@H](C(=O)[O-])N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CCC1 ZINC001589476276 986974693 /nfs/dbraw/zinc/97/46/93/986974693.db2.gz AHVUVYYQNUQPQC-QMMMGPOBSA-N -2 3 331.290 2.879 20 0 EFADHL C[C@H](C(=O)[O-])c1ccc(NC(=O)c2[n-]cnc2C(F)(F)F)cc1 ZINC001589521931 987171287 /nfs/dbraw/zinc/17/12/87/987171287.db2.gz XOGJFBYBHRHHET-ZETCQYMHSA-N -2 3 327.262 2.869 20 0 EFADHL C[C@H](C(=O)[O-])c1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1 ZINC001589521931 987171293 /nfs/dbraw/zinc/17/12/93/987171293.db2.gz XOGJFBYBHRHHET-ZETCQYMHSA-N -2 3 327.262 2.869 20 0 EFADHL CCc1cc(=O)[n-]c(CN2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)n1 ZINC001597486823 987990113 /nfs/dbraw/zinc/99/01/13/987990113.db2.gz FETZGOUCVWVTPP-AWEZNQCLSA-N -2 3 344.415 2.509 20 0 EFADHL CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(F)c(C)c2)c([O-])c1 ZINC001597500593 988058208 /nfs/dbraw/zinc/05/82/08/988058208.db2.gz QZWJLNPCVOUBBF-INIZCTEOSA-N -2 3 331.343 2.958 20 0 EFADHL CCc1ccc([O-])c(C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)c1 ZINC001597557151 988294653 /nfs/dbraw/zinc/29/46/53/988294653.db2.gz ZCTOGQFDQQWWPU-UHFFFAOYSA-N -2 3 343.379 2.690 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@@](C)(CC(=O)[O-])c2ccccn2)c1 ZINC001599820208 988500286 /nfs/dbraw/zinc/50/02/86/988500286.db2.gz SEPCCBBEKSJCJZ-KRWDZBQOSA-N -2 3 346.408 2.629 20 0 EFADHL C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC001599832011 988688428 /nfs/dbraw/zinc/68/84/28/988688428.db2.gz ZLVPJAPJGYVVTL-LBPRGKRZSA-N -2 3 331.343 2.576 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CC1 ZINC001590766199 990570223 /nfs/dbraw/zinc/57/02/23/990570223.db2.gz MOKVSPUQEIWINT-UHFFFAOYSA-N -2 3 349.811 2.892 20 0 EFADHL CC(C)(NC(=O)c1cc2sccc2c([O-])c1)c1cc(C(=O)[O-])on1 ZINC001590858274 990745743 /nfs/dbraw/zinc/74/57/43/990745743.db2.gz CQBMXKUZWDANRJ-UHFFFAOYSA-N -2 3 346.364 2.958 20 0 EFADHL CC(C)(O)c1nnc([N-]Cc2ccc(-c3ccccc3C(=O)[O-])o2)o1 ZINC001590904948 990866782 /nfs/dbraw/zinc/86/67/82/990866782.db2.gz NWRYVTZENSDXLW-UHFFFAOYSA-N -2 3 343.339 2.867 20 0 EFADHL CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001591088246 991620420 /nfs/dbraw/zinc/62/04/20/991620420.db2.gz FWQDUCFRUNKOKJ-NEPJUHHUSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001591089093 991629609 /nfs/dbraw/zinc/62/96/09/991629609.db2.gz RGFNPMGPNIFCTN-QWRGUYRKSA-N -2 3 346.474 2.725 20 0 EFADHL C[C@H](c1c(F)cccc1F)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593685791 996119104 /nfs/dbraw/zinc/11/91/04/996119104.db2.gz CDDDTGHMVMXSMT-RVRXJTJDSA-N -2 3 339.338 2.523 20 0 EFADHL C[C@H](c1cc(F)ccc1F)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593687841 996128049 /nfs/dbraw/zinc/12/80/49/996128049.db2.gz TXUOERIZXIFTAI-FZIAUPGKSA-N -2 3 339.338 2.523 20 0 EFADHL C[C@@H](c1cc(F)ccc1F)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593687843 996128215 /nfs/dbraw/zinc/12/82/15/996128215.db2.gz TXUOERIZXIFTAI-HKZOZPGBSA-N -2 3 339.338 2.523 20 0 EFADHL C[C@@H](c1ccc(F)cc1F)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593698254 996162739 /nfs/dbraw/zinc/16/27/39/996162739.db2.gz VEDKCCVVSKKZLC-CPLIBUAESA-N -2 3 339.338 2.523 20 0 EFADHL COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)c([O-])c1 ZINC001599483004 996799226 /nfs/dbraw/zinc/79/92/26/996799226.db2.gz LYRXDKWMTMOBAK-OAHLLOKOSA-N -2 3 329.352 2.655 20 0 EFADHL COC(=O)c1cc(C(=O)O[C@@H]2CCCc3cc(C(=O)[O-])ccc32)c[n-]1 ZINC001598926522 997656376 /nfs/dbraw/zinc/65/63/76/997656376.db2.gz NJVHLHJNVZVKMF-OAHLLOKOSA-N -2 3 343.335 2.734 20 0 EFADHL COC(=O)c1cc(C(=O)OCc2cc(C(=O)[O-])ccc2Cl)c[n-]1 ZINC001598926511 997656416 /nfs/dbraw/zinc/65/64/16/997656416.db2.gz NEJZFCIGEOANQO-UHFFFAOYSA-N -2 3 337.715 2.510 20 0 EFADHL COc1cc(C(=O)[N-]c2sc3c(c2C(=O)[O-])CCCCC3)on1 ZINC001599356237 998183414 /nfs/dbraw/zinc/18/34/14/998183414.db2.gz BXOBUTJNRNTBJI-UHFFFAOYSA-N -2 3 336.369 2.964 20 0 EFADHL COC(=O)c1ccc(C(=O)Nc2ccc(C(C)C)cc2C(=O)[O-])[n-]1 ZINC001598958894 998295135 /nfs/dbraw/zinc/29/51/35/998295135.db2.gz VIGTYVCAYBZMLL-UHFFFAOYSA-N -2 3 330.340 2.875 20 0 EFADHL COCCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C)ccc1[O-] ZINC001599256772 998317473 /nfs/dbraw/zinc/31/74/73/998317473.db2.gz VQFUVLGVDYMWIY-UHFFFAOYSA-N -2 3 345.351 2.676 20 0 EFADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C)sc1C(=O)[O-] ZINC001599042390 999127007 /nfs/dbraw/zinc/12/70/07/999127007.db2.gz CRNWMMCOGLVWQN-JTQLQIEISA-N -2 3 335.447 2.558 20 0 EFADHL C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001594359468 999358518 /nfs/dbraw/zinc/35/85/18/999358518.db2.gz IAGCTKRKRZZZQE-RKDXNWHRSA-N -2 3 349.811 2.892 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1csc(-c2nnn[n-]2)c1 ZINC001582635261 1091591444 /nfs/dbraw/zinc/59/14/44/1091591444.db2.gz IPMBJBKBNWCDNK-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1csc(-c2nn[n-]n2)c1 ZINC001582635261 1091591454 /nfs/dbraw/zinc/59/14/54/1091591454.db2.gz IPMBJBKBNWCDNK-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL CC(=Cc1cnc(C(C)C)s1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588771870 1092987980 /nfs/dbraw/zinc/98/79/80/1092987980.db2.gz BXFXXBMCOPINLT-YVMONPNESA-N -2 3 343.416 2.811 20 0 EFADHL CC(=Cc1cnc(C(C)C)s1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588771870 1092987985 /nfs/dbraw/zinc/98/79/85/1092987985.db2.gz BXFXXBMCOPINLT-YVMONPNESA-N -2 3 343.416 2.811 20 0 EFADHL CC(C=C(C)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1)=Cc1ccccc1 ZINC001588771211 1092988046 /nfs/dbraw/zinc/98/80/46/1092988046.db2.gz SGERINITXZQERI-BVNLRVGSSA-N -2 3 334.383 2.765 20 0 EFADHL CC(C=C(C)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1)=Cc1ccccc1 ZINC001588771211 1092988055 /nfs/dbraw/zinc/98/80/55/1092988055.db2.gz SGERINITXZQERI-BVNLRVGSSA-N -2 3 334.383 2.765 20 0 EFADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC001589002901 1093017477 /nfs/dbraw/zinc/01/74/77/1093017477.db2.gz GXLPEZFNAUGCKD-SNVBAGLBSA-N -2 3 343.774 2.734 20 0 EFADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC001589002901 1093017484 /nfs/dbraw/zinc/01/74/84/1093017484.db2.gz GXLPEZFNAUGCKD-SNVBAGLBSA-N -2 3 343.774 2.734 20 0 EFADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC001589003319 1093017943 /nfs/dbraw/zinc/01/79/43/1093017943.db2.gz WPMDPGZDLWYJOS-NSHDSACASA-N -2 3 349.350 2.827 20 0 EFADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC001589003319 1093017951 /nfs/dbraw/zinc/01/79/51/1093017951.db2.gz WPMDPGZDLWYJOS-NSHDSACASA-N -2 3 349.350 2.827 20 0 EFADHL CC(C)[C@@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)[O-] ZINC001589456146 1093085310 /nfs/dbraw/zinc/08/53/10/1093085310.db2.gz ANAUAJFXJHBNNP-SNVBAGLBSA-N -2 3 343.309 2.654 20 0 EFADHL CC(C)[C@@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)[O-] ZINC001589456146 1093085320 /nfs/dbraw/zinc/08/53/20/1093085320.db2.gz ANAUAJFXJHBNNP-SNVBAGLBSA-N -2 3 343.309 2.654 20 0 EFADHL CC(C)C[C@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)C(=O)[O-] ZINC001589556252 1093106905 /nfs/dbraw/zinc/10/69/05/1093106905.db2.gz NPJMUSZLYBDANO-CYBMUJFWSA-N -2 3 340.387 2.574 20 0 EFADHL CC(C)C[C@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)C(=O)[O-] ZINC001589556252 1093106916 /nfs/dbraw/zinc/10/69/16/1093106916.db2.gz NPJMUSZLYBDANO-CYBMUJFWSA-N -2 3 340.387 2.574 20 0 EFADHL C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590013880 1093222958 /nfs/dbraw/zinc/22/29/58/1093222958.db2.gz UKLYDLUXMYCGLZ-MRVPVSSYSA-N -2 3 346.293 2.769 20 0 EFADHL C[C@@H](OC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590013880 1093222964 /nfs/dbraw/zinc/22/29/64/1093222964.db2.gz UKLYDLUXMYCGLZ-MRVPVSSYSA-N -2 3 346.293 2.769 20 0 EFADHL CCCOc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1 ZINC001590646259 1093530510 /nfs/dbraw/zinc/53/05/10/1093530510.db2.gz PYGIPEDIDPLAKT-UHFFFAOYSA-N -2 3 339.355 2.613 20 0 EFADHL COc1ccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)cc1C ZINC001591582556 1093780656 /nfs/dbraw/zinc/78/06/56/1093780656.db2.gz COEDXTUSVFRJLO-CSKARUKUSA-N -2 3 338.371 2.548 20 0 EFADHL COc1ccc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)cc1C ZINC001591582556 1093780662 /nfs/dbraw/zinc/78/06/62/1093780662.db2.gz COEDXTUSVFRJLO-CSKARUKUSA-N -2 3 338.371 2.548 20 0 EFADHL CSc1ccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)cc1 ZINC001591707465 1093834846 /nfs/dbraw/zinc/83/48/46/1093834846.db2.gz NIMXXJOGAPWFAB-HJWRWDBZSA-N -2 3 340.412 2.953 20 0 EFADHL CSc1ccc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)cc1 ZINC001591707465 1093834851 /nfs/dbraw/zinc/83/48/51/1093834851.db2.gz NIMXXJOGAPWFAB-HJWRWDBZSA-N -2 3 340.412 2.953 20 0 EFADHL Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC001591987633 1093949101 /nfs/dbraw/zinc/94/91/01/1093949101.db2.gz ZJNXSUFCGGHOHF-UHFFFAOYSA-N -2 3 349.272 2.550 20 0 EFADHL Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1cc(F)c([O-])c(F)c1 ZINC001591987633 1093949103 /nfs/dbraw/zinc/94/91/03/1093949103.db2.gz ZJNXSUFCGGHOHF-UHFFFAOYSA-N -2 3 349.272 2.550 20 0 EFADHL Cc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc(-c2nnn[n-]2)c1 ZINC001592030458 1093961101 /nfs/dbraw/zinc/96/11/01/1093961101.db2.gz QMQOCHYQSDSNKA-UHFFFAOYSA-N -2 3 349.272 2.550 20 0 EFADHL Cc1cc(NC(=O)c2cc(F)c(F)c([O-])c2F)cc(-c2nn[n-]n2)c1 ZINC001592030458 1093961105 /nfs/dbraw/zinc/96/11/05/1093961105.db2.gz QMQOCHYQSDSNKA-UHFFFAOYSA-N -2 3 349.272 2.550 20 0 EFADHL Cc1cc2cc[nH]c2cc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001592070600 1093974534 /nfs/dbraw/zinc/97/45/34/1093974534.db2.gz FJTSLVXKKUNFBY-UHFFFAOYSA-N -2 3 334.339 2.614 20 0 EFADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC001592103262 1093980199 /nfs/dbraw/zinc/98/01/99/1093980199.db2.gz FHQCKXSLPAKNDT-UHFFFAOYSA-N -2 3 343.387 2.539 20 0 EFADHL Cc1ccc(CN2CC[C@H](C(=O)[O-])c3ccccc32)cc1-c1nn[n-]n1 ZINC001592153609 1094002764 /nfs/dbraw/zinc/00/27/64/1094002764.db2.gz HPKGAJITYPBXHK-HNNXBMFYSA-N -2 3 349.394 2.754 20 0 EFADHL O=C(Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)c1cccc(F)c1[O-] ZINC001593227404 1094246192 /nfs/dbraw/zinc/24/61/92/1094246192.db2.gz DWEJAKCTEPGYJN-UHFFFAOYSA-N -2 3 339.330 2.841 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001593279376 1094261522 /nfs/dbraw/zinc/26/15/22/1094261522.db2.gz IAPZMIWRSQEYPP-KOLCDFICSA-N -2 3 341.293 2.551 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001593279376 1094261528 /nfs/dbraw/zinc/26/15/28/1094261528.db2.gz IAPZMIWRSQEYPP-KOLCDFICSA-N -2 3 341.293 2.551 20 0 EFADHL O=C([O-])[C@H](CNc1cccc(C(F)F)c1-c1nnn[n-]1)C1CCC1 ZINC001593275834 1094261699 /nfs/dbraw/zinc/26/16/99/1094261699.db2.gz IBNMTFPRPHUWDF-SNVBAGLBSA-N -2 3 337.330 2.717 20 0 EFADHL O=C([O-])[C@H](CNc1cccc(C(F)F)c1-c1nn[n-]n1)C1CCC1 ZINC001593275834 1094261704 /nfs/dbraw/zinc/26/17/04/1094261704.db2.gz IBNMTFPRPHUWDF-SNVBAGLBSA-N -2 3 337.330 2.717 20 0 EFADHL O=C([O-])[C@@H]1CC[C@H](Nc2ccc(C(F)(F)F)cc2-c2nn[n-]n2)C1 ZINC001593279406 1094261940 /nfs/dbraw/zinc/26/19/40/1094261940.db2.gz JRBVPOGMWUBJBP-APPZFPTMSA-N -2 3 341.293 2.551 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cc(Cl)cs2)n1 ZINC001593282884 1094264562 /nfs/dbraw/zinc/26/45/62/1094264562.db2.gz GHVYITHNOPJUPC-HNQUOIGGSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cc(Cl)cs2)n1 ZINC001593282884 1094264565 /nfs/dbraw/zinc/26/45/65/1094264565.db2.gz GHVYITHNOPJUPC-HNQUOIGGSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc2nc(C=Cc3cccc(-c4nnn[n-]4)c3)oc2c1 ZINC001593283398 1094264635 /nfs/dbraw/zinc/26/46/35/1094264635.db2.gz QVIUARYLGZRYTB-DAXSKMNVSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc2nc(C=Cc3cccc(-c4nn[n-]n4)c3)oc2c1 ZINC001593283398 1094264641 /nfs/dbraw/zinc/26/46/41/1094264641.db2.gz QVIUARYLGZRYTB-DAXSKMNVSA-N -2 3 333.307 2.877 20 0 EFADHL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cc(CC)ccc1[O-] ZINC001596913220 1094553358 /nfs/dbraw/zinc/55/33/58/1094553358.db2.gz NGDIXJVYWLSYDQ-ZDUSSCGKSA-N -2 3 337.416 2.544 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC001600158430 1094821539 /nfs/dbraw/zinc/82/15/39/1094821539.db2.gz PVLGVYXXTWSGMV-OQLLNIDSSA-N -2 3 336.347 2.725 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCC[C@H]2C)oc1C(=O)[O-] ZINC001600298665 1094953261 /nfs/dbraw/zinc/95/32/61/1094953261.db2.gz KCBQPXZFPUYBTK-ZYHUDNBSSA-N -2 3 329.418 2.781 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCC=CCCC2)oc1C(=O)[O-] ZINC001600299254 1094953494 /nfs/dbraw/zinc/95/34/94/1094953494.db2.gz SUABXNCWAJYLPI-GFCCVEGCSA-N -2 3 327.402 2.701 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC2(CC(C)C)CCC2)oc1C(=O)[O-] ZINC001600298838 1094954239 /nfs/dbraw/zinc/95/42/39/1094954239.db2.gz DUJCBVVKAYUEJQ-UHFFFAOYSA-N -2 3 329.418 2.781 20 0 EFADHL Cc1ccc(-c2nc(NC(=O)CC3(CC(=O)[O-])CCCC3)n[n-]2)o1 ZINC001600320363 1094970560 /nfs/dbraw/zinc/97/05/60/1094970560.db2.gz XLKBHMKULQDZIW-UHFFFAOYSA-N -2 3 332.360 2.737 20 0 EFADHL Cc1ccc(C(=O)N[C@](C)(Cc2ccc(F)cc2)C(=O)[O-])c([O-])c1 ZINC001600338529 1094984044 /nfs/dbraw/zinc/98/40/44/1094984044.db2.gz ZFQRDDKHEVQIRM-GOSISDBHSA-N -2 3 331.343 2.656 20 0 EFADHL Cc1ccc(C(=O)N[C@@](C)(Cc2ccc(F)cc2)C(=O)[O-])c([O-])c1 ZINC001600338530 1094984608 /nfs/dbraw/zinc/98/46/08/1094984608.db2.gz ZFQRDDKHEVQIRM-SFHVURJKSA-N -2 3 331.343 2.656 20 0 EFADHL Cc1ccc(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)c([O-])c1 ZINC001600343731 1094988092 /nfs/dbraw/zinc/98/80/92/1094988092.db2.gz PEHSISKZFKTLNH-SNVBAGLBSA-N -2 3 333.315 2.944 20 0 EFADHL Cc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)c(C(=O)[O-])c1C ZINC001600456588 1095080289 /nfs/dbraw/zinc/08/02/89/1095080289.db2.gz OQSALDDEPUGCNK-UHFFFAOYSA-N -2 3 328.303 2.664 20 0 EFADHL Cc1ccc([O-])c(CN(C)[C@@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)n1 ZINC001600464760 1095085488 /nfs/dbraw/zinc/08/54/88/1095085488.db2.gz JXQUVXLLNGUDIS-OAHLLOKOSA-N -2 3 340.301 2.771 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)CCC(=O)[O-])c(OCc2ccccc2)c1 ZINC001600463732 1095086900 /nfs/dbraw/zinc/08/69/00/1095086900.db2.gz KHLAKNJIJXAMDX-UHFFFAOYSA-N -2 3 349.408 2.790 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)o1 ZINC001600478895 1095097179 /nfs/dbraw/zinc/09/71/79/1095097179.db2.gz HIGDXJHHDHLBBT-APPDUMDISA-N -2 3 349.408 2.744 20 0 EFADHL Cc1cccc([O-])c1C(=O)N1CC[C@@](C(=O)[O-])(c2ccccc2)C1 ZINC001600542825 1095148900 /nfs/dbraw/zinc/14/89/00/1095148900.db2.gz RIIOVMLVGDZNKZ-IBGZPJMESA-N -2 3 325.364 2.569 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1C(=O)[O-] ZINC001600550203 1095156344 /nfs/dbraw/zinc/15/63/44/1095156344.db2.gz KQMRJKFAGSOIAZ-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001600575302 1095178256 /nfs/dbraw/zinc/17/82/56/1095178256.db2.gz BAGXNYOKQVNOBP-UHFFFAOYSA-N -2 3 337.397 2.586 20 0 EFADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]C1(C(F)(F)F)CCC1 ZINC001600655588 1095238952 /nfs/dbraw/zinc/23/89/52/1095238952.db2.gz VKJHCKVIHQSCMY-UHFFFAOYSA-N -2 3 343.348 2.518 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]CC[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC001600857040 1095384883 /nfs/dbraw/zinc/38/48/83/1095384883.db2.gz DHSNZJNMVSLDCH-NSHDSACASA-N -2 3 337.397 2.758 20 0 EFADHL Cn1cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1C(=O)[O-] ZINC001600951753 1095443081 /nfs/dbraw/zinc/44/30/81/1095443081.db2.gz KWMVBFOLJQDHPB-UHFFFAOYSA-N -2 3 342.395 2.524 20 0 EFADHL Cn1cc(CN[C@H](CC(=O)[O-])c2cccc(Cl)c2)cc1C(=O)[O-] ZINC001600953090 1095445093 /nfs/dbraw/zinc/44/50/93/1095445093.db2.gz SOLDDTTZBWVFOH-CYBMUJFWSA-N -2 3 336.775 2.682 20 0 EFADHL O=C(CCCCC(=O)c1ccccc1)NCCCCP(=O)([O-])[O-] ZINC001143530622 1095649916 /nfs/dbraw/zinc/64/99/16/1095649916.db2.gz HMUGNBXMXZPLFY-UHFFFAOYSA-N -2 3 341.344 2.504 20 0 EFADHL O=C([O-])c1nc(CNC(=O)c2cc([O-])ccc2Cl)ccc1Cl ZINC001601537078 1095724132 /nfs/dbraw/zinc/72/41/32/1095724132.db2.gz BBJPKZHQQRMVLX-UHFFFAOYSA-N -2 3 341.150 2.722 20 0 EFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)C1CCCCC1 ZINC001601652550 1095786019 /nfs/dbraw/zinc/78/60/19/1095786019.db2.gz WKCMZWVIRGIKRT-GFCCVEGCSA-N -2 3 347.383 2.524 20 0 EFADHL O=C([O-])[C@H](SCCc1nnn[n-]1)c1cccc(Cl)c1Cl ZINC001601688232 1095817499 /nfs/dbraw/zinc/81/74/99/1095817499.db2.gz BYOMGFNBXBSRAF-SNVBAGLBSA-N -2 3 333.200 2.608 20 0 EFADHL O=C([O-])[C@H](SCCc1nn[n-]n1)c1cccc(Cl)c1Cl ZINC001601688232 1095817515 /nfs/dbraw/zinc/81/75/15/1095817515.db2.gz BYOMGFNBXBSRAF-SNVBAGLBSA-N -2 3 333.200 2.608 20 0 EFADHL O=C([O-])[C@@H](SCCc1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC001601690979 1095827550 /nfs/dbraw/zinc/82/75/50/1095827550.db2.gz PASXSPDZMGLROR-JTQLQIEISA-N -2 3 333.200 2.608 20 0 EFADHL O=C([O-])[C@@H](SCCc1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC001601690979 1095827566 /nfs/dbraw/zinc/82/75/66/1095827566.db2.gz PASXSPDZMGLROR-JTQLQIEISA-N -2 3 333.200 2.608 20 0 EFADHL O=C([O-])C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1cccs1 ZINC001601897470 1095963396 /nfs/dbraw/zinc/96/33/96/1095963396.db2.gz XMMUSEFLBWEQFL-SSDOTTSWSA-N -2 3 332.353 2.629 20 0 EFADHL O=C([O-])CC1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC001601929877 1095981044 /nfs/dbraw/zinc/98/10/44/1095981044.db2.gz KPACLBPZEHPQOB-UHFFFAOYSA-N -2 3 325.364 2.720 20 0 EFADHL O=C([O-])CN(CCc1ccccc1)C(=O)c1cc([O-])ccc1Cl ZINC001602056026 1096044218 /nfs/dbraw/zinc/04/42/18/1096044218.db2.gz RTXHOZVDNKQORM-UHFFFAOYSA-N -2 3 333.771 2.815 20 0 EFADHL O=C([O-])[C@@H]1CN(C(=O)c2ccccc2[O-])C[C@H]1c1ccc(F)cc1F ZINC001602186067 1096107765 /nfs/dbraw/zinc/10/77/65/1096107765.db2.gz PJSNVTXJHAJSOY-UONOGXRCSA-N -2 3 347.317 2.611 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CC2)c1F ZINC001602264407 1096148490 /nfs/dbraw/zinc/14/84/90/1096148490.db2.gz LUDKZDFASYNYRS-WPRPVWTQSA-N -2 3 347.795 2.502 20 0 EFADHL O=C([O-])c1cc(Cl)cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)c1 ZINC001602264073 1096148585 /nfs/dbraw/zinc/14/85/85/1096148585.db2.gz TVBBMSJWZVTGJM-UHFFFAOYSA-N -2 3 333.731 2.664 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@]23C[C@@H]2CCCC3)c1F ZINC001602267185 1096149763 /nfs/dbraw/zinc/14/97/63/1096149763.db2.gz XQOSBAZSTNPEJZ-RTHLEPHNSA-N -2 3 347.795 2.788 20 0 EFADHL O=C([O-])c1cc(F)cc([N-]C(=O)c2ncoc2-c2ccon2)c1F ZINC001602270599 1096152797 /nfs/dbraw/zinc/15/27/97/1096152797.db2.gz HDYBVVHQUGYAMQ-UHFFFAOYSA-N -2 3 335.222 2.558 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@@H]2CC=CCC2)c(F)cc1Cl ZINC001602295688 1096164891 /nfs/dbraw/zinc/16/48/91/1096164891.db2.gz CQXLKCORSFXSJB-SECBINFHSA-N -2 3 347.795 2.812 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C23CCC(CC2)C3)c(F)cc1Cl ZINC001602295105 1096165105 /nfs/dbraw/zinc/16/51/05/1096165105.db2.gz WQFVPLCGBFGJEP-UHFFFAOYSA-N -2 3 347.795 2.788 20 0 EFADHL O=C([O-])c1ccc(Cl)c(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)c1 ZINC001602356946 1096201544 /nfs/dbraw/zinc/20/15/44/1096201544.db2.gz FWRVWUDWWCSPEF-UHFFFAOYSA-N -2 3 345.786 2.927 20 0 EFADHL O=C([O-])c1ccc(N2CCN(Cc3ccc([O-])c(F)c3)CC2)s1 ZINC001602371469 1096209950 /nfs/dbraw/zinc/20/99/50/1096209950.db2.gz LTJPPSYAJCTNIS-UHFFFAOYSA-N -2 3 336.388 2.613 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CC2)o1 ZINC001602397510 1096221360 /nfs/dbraw/zinc/22/13/60/1096221360.db2.gz DVIDSIHWAOZJGX-UHFFFAOYSA-N -2 3 341.772 2.599 20 0 EFADHL O=C([O-])c1ccc2cc(CCNC(=O)c3ccc(O)cc3[O-])oc2c1 ZINC001602428142 1096240024 /nfs/dbraw/zinc/24/00/24/1096240024.db2.gz LHYVDWDQCAYWDA-UHFFFAOYSA-N -2 3 341.319 2.515 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1(c2ccc(Cl)cc2)CC1 ZINC001602489068 1096271028 /nfs/dbraw/zinc/27/10/28/1096271028.db2.gz QSLDLZREESKXDL-UHFFFAOYSA-N -2 3 341.772 2.599 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCCc1ccc(Cl)cc1 ZINC001602488852 1096271065 /nfs/dbraw/zinc/27/10/65/1096271065.db2.gz MWKRWLNHOFBLQC-UHFFFAOYSA-N -2 3 343.788 2.542 20 0 EFADHL O=C([O-])c1cnc(CC2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC001602517984 1096279191 /nfs/dbraw/zinc/27/91/91/1096279191.db2.gz DBEDYZVETRCHBR-UHFFFAOYSA-N -2 3 346.408 2.642 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCc3cc(Cl)ccc32)c1 ZINC001602559061 1096298224 /nfs/dbraw/zinc/29/82/24/1096298224.db2.gz KAZJWFISFHLQKF-LBPRGKRZSA-N -2 3 341.772 2.597 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H](CF)c2ccc(F)cc2)c1 ZINC001602562980 1096300485 /nfs/dbraw/zinc/30/04/85/1096300485.db2.gz GUVRLULSVVKMER-LLVKDONJSA-N -2 3 347.364 2.575 20 0 EFADHL CC(=Cc1ccccc1Cl)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602905943 1096395119 /nfs/dbraw/zinc/39/51/19/1096395119.db2.gz IMOWBAXQZOTJNX-BQYQJAHWSA-N -2 3 328.763 2.885 20 0 EFADHL CC(=Cc1ccccc1Cl)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602905943 1096395122 /nfs/dbraw/zinc/39/51/22/1096395122.db2.gz IMOWBAXQZOTJNX-BQYQJAHWSA-N -2 3 328.763 2.885 20 0 EFADHL CC(C)C[C@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)C(=O)[O-] ZINC001603265102 1096488394 /nfs/dbraw/zinc/48/83/94/1096488394.db2.gz PCUMQKVBFPTKPJ-GFCCVEGCSA-N -2 3 340.387 2.574 20 0 EFADHL CC(C)C[C@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)C(=O)[O-] ZINC001603265102 1096488396 /nfs/dbraw/zinc/48/83/96/1096488396.db2.gz PCUMQKVBFPTKPJ-GFCCVEGCSA-N -2 3 340.387 2.574 20 0 EFADHL CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001603319253 1096504618 /nfs/dbraw/zinc/50/46/18/1096504618.db2.gz JWKZOZSZJUGCGR-NEPJUHHUSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)(c1ccccc1)C1([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001603693514 1096592299 /nfs/dbraw/zinc/59/22/99/1096592299.db2.gz SGZKSKWBHGTTGI-UHFFFAOYSA-N -2 3 349.408 2.767 20 0 EFADHL CC1(C)C[C@@]1(C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001603764691 1096618695 /nfs/dbraw/zinc/61/86/95/1096618695.db2.gz IEBGYXIVAJQLKF-IBGZPJMESA-N -2 3 349.394 2.645 20 0 EFADHL CC1(C)C[C@@]1(C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001603764691 1096618699 /nfs/dbraw/zinc/61/86/99/1096618699.db2.gz IEBGYXIVAJQLKF-IBGZPJMESA-N -2 3 349.394 2.645 20 0 EFADHL CC(C)Oc1c(NC(=O)[N-]O[C@@H]2CCCCO2)cccc1C(=O)[O-] ZINC001603933947 1096672098 /nfs/dbraw/zinc/67/20/98/1096672098.db2.gz SZNKSXRYWFETPZ-CYBMUJFWSA-N -2 3 338.360 2.752 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(O)cc2)c([O-])c1 ZINC001603997308 1096690879 /nfs/dbraw/zinc/69/08/79/1096690879.db2.gz WTRRQDCNPCYDKA-MRXNPFEDSA-N -2 3 329.352 2.777 20 0 EFADHL C[C@@](Cc1ccccc1)([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC001604235313 1096782710 /nfs/dbraw/zinc/78/27/10/1096782710.db2.gz BFRJHWAVAVVPLY-KRWDZBQOSA-N -2 3 349.408 2.668 20 0 EFADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC=CC1 ZINC001604597658 1096911822 /nfs/dbraw/zinc/91/18/22/1096911822.db2.gz KNVAYXLEAMOTAT-UHFFFAOYSA-N -2 3 333.768 2.564 20 0 EFADHL CN(C(=O)c1cccc(F)c1[O-])c1cc(Cl)ccc1-c1nnn[n-]1 ZINC001604660026 1096926558 /nfs/dbraw/zinc/92/65/58/1096926558.db2.gz WIBOEOFKNRCZFH-UHFFFAOYSA-N -2 3 347.737 2.641 20 0 EFADHL CN(C(=O)c1cccc(F)c1[O-])c1cc(Cl)ccc1-c1nn[n-]n1 ZINC001604660026 1096926559 /nfs/dbraw/zinc/92/65/59/1096926559.db2.gz WIBOEOFKNRCZFH-UHFFFAOYSA-N -2 3 347.737 2.641 20 0 EFADHL CC[C@@H](C)n1ncc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1C1CC1 ZINC001604981384 1096992557 /nfs/dbraw/zinc/99/25/57/1096992557.db2.gz PXIOJXWGZXPCIZ-SNVBAGLBSA-N -2 3 343.449 2.584 20 0 EFADHL CC[C@@](CNC(=O)c1c([O-])cccc1OC)(C(=O)[O-])c1ccccc1 ZINC001605035997 1097007412 /nfs/dbraw/zinc/00/74/12/1097007412.db2.gz XLKIGZNYDSWTNG-IBGZPJMESA-N -2 3 343.379 2.563 20 0 EFADHL CC[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c2ccccc12)OC ZINC001605054619 1097011933 /nfs/dbraw/zinc/01/19/33/1097011933.db2.gz KPDGKNPCGOHUPU-NSHDSACASA-N -2 3 337.397 2.705 20 0 EFADHL CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605229619 1097061842 /nfs/dbraw/zinc/06/18/42/1097061842.db2.gz QWCZMIHDRONLMD-VXGBXAGGSA-N -2 3 329.418 2.863 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)/C=C\c2cc(C(=O)[O-])co2)c([O-])c1 ZINC001605570863 1097160985 /nfs/dbraw/zinc/16/09/85/1097160985.db2.gz JHLXJIXGLPPLDR-XQRVVYSFSA-N -2 3 345.307 2.512 20 0 EFADHL Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC001605677628 1097191753 /nfs/dbraw/zinc/19/17/53/1097191753.db2.gz HUAWMFMTKWFNEK-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC001605677628 1097191755 /nfs/dbraw/zinc/19/17/55/1097191755.db2.gz HUAWMFMTKWFNEK-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cn1ccc2ccnc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)c21 ZINC001167935879 1097348399 /nfs/dbraw/zinc/34/83/99/1097348399.db2.gz UAVJEIWJEATTOD-UHFFFAOYSA-N -2 3 343.323 2.658 20 0 EFADHL O=P([O-])([O-])C1(Nc2cc(F)c3nccn3c2)Cc2ccccc2C1 ZINC001167939186 1097383257 /nfs/dbraw/zinc/38/32/57/1097383257.db2.gz QOFSWFGFZKONSN-UHFFFAOYSA-N -2 3 347.286 2.558 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccc(F)cc2Cl)n1 ZINC001606962046 1097481602 /nfs/dbraw/zinc/48/16/02/1097481602.db2.gz BAHPKZGNBIKOOW-GORDUTHDSA-N -2 3 345.721 2.923 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccc(F)cc2Cl)n1 ZINC001606962046 1097481604 /nfs/dbraw/zinc/48/16/04/1097481604.db2.gz BAHPKZGNBIKOOW-GORDUTHDSA-N -2 3 345.721 2.923 20 0 EFADHL COc1cccc(C(=O)Nc2nc(C(=O)[O-])c(C(C)C)s2)c1[O-] ZINC001607305362 1097591917 /nfs/dbraw/zinc/59/19/17/1097591917.db2.gz OOPMKJXYUIHSNU-UHFFFAOYSA-N -2 3 336.369 2.931 20 0 EFADHL Cc1cc(C)cc([C@H]([N-]C(=O)C(F)(F)c2nccs2)C(=O)[O-])c1 ZINC001607624215 1097680568 /nfs/dbraw/zinc/68/05/68/1097680568.db2.gz DPEMMMKSRWMTGG-NSHDSACASA-N -2 3 340.351 2.794 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C(C2CCC2)C2CCC2)oc1C(=O)[O-] ZINC001607705486 1097704374 /nfs/dbraw/zinc/70/43/74/1097704374.db2.gz OAAUUJKIMVJOSD-UHFFFAOYSA-N -2 3 327.402 2.533 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)oc1C(=O)[O-] ZINC001607708178 1097705040 /nfs/dbraw/zinc/70/50/40/1097705040.db2.gz CDJIORAKIUQTOF-SECBINFHSA-N -2 3 343.788 2.979 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCOC3)cc1C(=O)[O-] ZINC001607822174 1097744128 /nfs/dbraw/zinc/74/41/28/1097744128.db2.gz WDLWYXNSIOUELC-UHFFFAOYSA-N -2 3 347.392 2.567 20 0 EFADHL O=C([O-])c1ccc(CCC(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc1 ZINC001608316944 1097892344 /nfs/dbraw/zinc/89/23/44/1097892344.db2.gz XISJVLSBJMXXKK-UHFFFAOYSA-N -2 3 325.324 2.538 20 0 EFADHL O=C([O-])C1(CS(=O)(=O)[N-]c2cccc3cnccc32)CCCC1 ZINC001608575132 1097959601 /nfs/dbraw/zinc/95/96/01/1097959601.db2.gz ZTRHXGKPTFXTAT-UHFFFAOYSA-N -2 3 334.397 2.622 20 0 EFADHL O=C([O-])/C=C\c1ccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)o1 ZINC001608658792 1097980471 /nfs/dbraw/zinc/98/04/71/1097980471.db2.gz DKVIOSZSIPSTNW-RQOWECAXSA-N -2 3 333.247 2.500 20 0 EFADHL O=C([O-])/C=C/c1ccc(C(=O)[N-]c2nnc(C(F)(F)F)s2)o1 ZINC001608658791 1097980621 /nfs/dbraw/zinc/98/06/21/1097980621.db2.gz DKVIOSZSIPSTNW-DUXPYHPUSA-N -2 3 333.247 2.500 20 0 EFADHL O=C([O-])CC[C@H](CNCc1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC001608705711 1097995194 /nfs/dbraw/zinc/99/51/94/1097995194.db2.gz RJXAYXSFHPQXFH-SNVBAGLBSA-N -2 3 337.269 2.657 20 0 EFADHL O=C([O-])Cc1csc([N-]C(=O)c2cc(-c3ccc(F)cc3)no2)n1 ZINC001608793097 1098023785 /nfs/dbraw/zinc/02/37/85/1098023785.db2.gz SJXPONIVWALMEP-UHFFFAOYSA-N -2 3 347.327 2.817 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCC2CC2)c(F)cc1Cl ZINC001608861871 1098047406 /nfs/dbraw/zinc/04/74/06/1098047406.db2.gz VBVDNYOYGBWIQC-UHFFFAOYSA-N -2 3 335.784 2.646 20 0 EFADHL O=C([O-])c1ccc(CN2CCC(c3n[n-]c(=O)o3)CC2)cc1Cl ZINC001608881679 1098056326 /nfs/dbraw/zinc/05/63/26/1098056326.db2.gz LXLXEJPYNVBOFH-UHFFFAOYSA-N -2 3 337.763 2.506 20 0 EFADHL CCOc1cccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)c1 ZINC001609245990 1098220248 /nfs/dbraw/zinc/22/02/48/1098220248.db2.gz WTGQNOAKLPMTRY-NTMALXAHSA-N -2 3 338.371 2.630 20 0 EFADHL CCOc1cccc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)c1 ZINC001609245990 1098220253 /nfs/dbraw/zinc/22/02/53/1098220253.db2.gz WTGQNOAKLPMTRY-NTMALXAHSA-N -2 3 338.371 2.630 20 0 EFADHL Cc1ccc(C=Cc2nc(C(=O)[O-])ccc2-c2nnn[n-]2)cc1F ZINC001609422099 1098306728 /nfs/dbraw/zinc/30/67/28/1098306728.db2.gz FUZUKZYKMVZTPQ-GQCTYLIASA-N -2 3 325.303 2.578 20 0 EFADHL Cc1ccc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[n-]n2)cc1F ZINC001609422099 1098306730 /nfs/dbraw/zinc/30/67/30/1098306730.db2.gz FUZUKZYKMVZTPQ-GQCTYLIASA-N -2 3 325.303 2.578 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cc(F)c(F)cc2F)n1 ZINC001609571812 1098384366 /nfs/dbraw/zinc/38/43/66/1098384366.db2.gz DEEWSYGTHZACBP-HNQUOIGGSA-N -2 3 347.256 2.548 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cc(F)c(F)cc2F)n1 ZINC001609571812 1098384373 /nfs/dbraw/zinc/38/43/73/1098384373.db2.gz DEEWSYGTHZACBP-HNQUOIGGSA-N -2 3 347.256 2.548 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccc3c(c2)CCC3)n1 ZINC001609572290 1098385813 /nfs/dbraw/zinc/38/58/13/1098385813.db2.gz OYXNFOKHRJLGTF-YVMONPNESA-N -2 3 333.351 2.619 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccc3c(c2)CCC3)n1 ZINC001609572290 1098385817 /nfs/dbraw/zinc/38/58/17/1098385817.db2.gz OYXNFOKHRJLGTF-YVMONPNESA-N -2 3 333.351 2.619 20 0 EFADHL CC(C)c1ccc(C(=O)NC(C)(C)c2nocc2C(=O)[O-])c([O-])c1 ZINC001609719095 1098436126 /nfs/dbraw/zinc/43/61/26/1098436126.db2.gz SWXYDRBDVGHMEM-UHFFFAOYSA-N -2 3 332.356 2.867 20 0 EFADHL CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001609959214 1098507480 /nfs/dbraw/zinc/50/74/80/1098507480.db2.gz KKBWLHNZLNLORW-WDEREUQCSA-N -2 3 346.474 2.726 20 0 EFADHL CCCCC1CCC([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001609966152 1098508592 /nfs/dbraw/zinc/50/85/92/1098508592.db2.gz DTEBIHCVYLEMSV-UHFFFAOYSA-N -2 3 346.474 2.869 20 0 EFADHL Cc1c(NC(=O)c2nnc3ccccc3c2[O-])ccc(F)c1C(=O)[O-] ZINC001610426220 1098672656 /nfs/dbraw/zinc/67/26/56/1098672656.db2.gz VBKDGBOBHQWYFU-UHFFFAOYSA-N -2 3 341.298 2.733 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1F ZINC001610523828 1098730025 /nfs/dbraw/zinc/73/00/25/1098730025.db2.gz IVFLZEYTUIQKFS-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)c2ccccc2F)cc1C(=O)[O-] ZINC001610586261 1098768496 /nfs/dbraw/zinc/76/84/96/1098768496.db2.gz AIKXFQDILZORKK-UHFFFAOYSA-N -2 3 341.360 2.639 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]Cc2c(C)oc3ccccc32)cc1C(=O)[O-] ZINC001610586650 1098770187 /nfs/dbraw/zinc/77/01/87/1098770187.db2.gz MSETWLPZGVUNHR-UHFFFAOYSA-N -2 3 349.364 2.819 20 0 EFADHL Cc1sc([C@H]2CCCN2C(=O)c2ccc(O)cc2[O-])nc1C(=O)[O-] ZINC001610590294 1098771993 /nfs/dbraw/zinc/77/19/93/1098771993.db2.gz ICEZRTWBJUNFJK-LLVKDONJSA-N -2 3 348.380 2.538 20 0 EFADHL O=C([O-])c1cc(COC(=O)c2cc3cc(Cl)sc3[n-]2)on1 ZINC001610811733 1098906217 /nfs/dbraw/zinc/90/62/17/1098906217.db2.gz LCNOTYOXYSVZKE-UHFFFAOYSA-N -2 3 326.717 2.926 20 0 EFADHL C[C@H](OCCCCP(=O)([O-])[O-])c1ccc(Br)nc1 ZINC001225019062 1104250517 /nfs/dbraw/zinc/25/05/17/1104250517.db2.gz PYBLTTBAQBKPFX-VIFPVBQESA-N -2 3 338.138 2.880 20 0 EFADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc3c(cc2[O-])OCO3)c1 ZINC000436646089 1108074271 /nfs/dbraw/zinc/07/42/71/1108074271.db2.gz FXXOUDLTMSZOAA-UHFFFAOYSA-N -2 3 329.308 2.672 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000036838292 202051227 /nfs/dbraw/zinc/05/12/27/202051227.db2.gz YATUCVQJHKROQS-VIFPVBQESA-N -2 3 326.201 2.525 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000036838090 202051817 /nfs/dbraw/zinc/05/18/17/202051817.db2.gz YMMOYUNNHVCDEK-JTQLQIEISA-N -2 3 326.201 2.525 20 0 EFADHL O=C([O-])CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000262486991 304058126 /nfs/dbraw/zinc/05/81/26/304058126.db2.gz WQPLEUYDVKYULP-ZDUSSCGKSA-N -2 3 339.438 2.503 20 0 EFADHL CCC[C@@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000263437179 535359989 /nfs/dbraw/zinc/35/99/89/535359989.db2.gz OVVWTIBAANUBDG-MRVPVSSYSA-N -2 3 327.793 2.775 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1C(=O)[O-] ZINC000071837530 202355833 /nfs/dbraw/zinc/35/58/33/202355833.db2.gz WCCJBTVWOYKLFC-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL C[C@H](CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000229516905 201041700 /nfs/dbraw/zinc/04/17/00/201041700.db2.gz KILNUNJCRSGQMU-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cccc(Cl)c2F)CC1 ZINC000275352901 201280212 /nfs/dbraw/zinc/28/02/12/201280212.db2.gz WMCYVMVBBWOHOL-MGCOHNPYSA-N -2 3 349.811 2.648 20 0 EFADHL Cc1ccc(-c2cc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)n[n-]2)o1 ZINC000192958631 240076172 /nfs/dbraw/zinc/07/61/72/240076172.db2.gz TZJQWYJRHRUGRE-LBPRGKRZSA-N -2 3 337.335 2.807 20 0 EFADHL Cc1ccc(-c2cc(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)[n-]n2)o1 ZINC000192958631 240076181 /nfs/dbraw/zinc/07/61/81/240076181.db2.gz TZJQWYJRHRUGRE-LBPRGKRZSA-N -2 3 337.335 2.807 20 0 EFADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000231806635 242270875 /nfs/dbraw/zinc/27/08/75/242270875.db2.gz NJSOGNFKFYIZMM-QMMMGPOBSA-N -2 3 325.839 2.632 20 0 EFADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000070311924 203075774 /nfs/dbraw/zinc/07/57/74/203075774.db2.gz ASVCSTRMZUOHER-ZETCQYMHSA-N -2 3 326.201 2.525 20 0 EFADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000070312086 203076007 /nfs/dbraw/zinc/07/60/07/203076007.db2.gz BCVGNQLHZLMNFG-ZETCQYMHSA-N -2 3 326.201 2.525 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccoc2)c(Br)c1 ZINC000568375932 319277192 /nfs/dbraw/zinc/27/71/92/319277192.db2.gz QOWUVKMEBHQPBG-UHFFFAOYSA-N -2 3 346.158 2.541 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1C(=O)[O-] ZINC000047949019 204337674 /nfs/dbraw/zinc/33/76/74/204337674.db2.gz CHUMVIHZCXGMPK-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cc(F)ccc1[O-])C(=O)C2 ZINC000133557154 205370755 /nfs/dbraw/zinc/37/07/55/205370755.db2.gz GUYURQIXKBBWII-QLJPJBMISA-N -2 3 341.404 2.668 20 0 EFADHL Cc1nc(C=C2COc3ccc(F)cc32)[n-]c(=O)c1CCC(=O)[O-] ZINC000443447603 250196772 /nfs/dbraw/zinc/19/67/72/250196772.db2.gz WRVIHMPRUHZEMA-POHAHGRESA-N -2 3 330.315 2.580 20 0 EFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000094702910 218268661 /nfs/dbraw/zinc/26/86/61/218268661.db2.gz URIZKSAQHXCHLT-VIFPVBQESA-N -2 3 337.800 2.504 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cc2[nH]ncc21 ZINC000346478966 142210434 /nfs/dbraw/zinc/21/04/34/142210434.db2.gz KXLQJIAOPFLZSF-UHFFFAOYSA-N -2 3 349.343 2.509 20 0 EFADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000342434747 145125655 /nfs/dbraw/zinc/12/56/55/145125655.db2.gz JEFVSHHOGAKGFM-SWLSCSKDSA-N -2 3 341.429 2.576 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cl)c2OC)c1 ZINC000342775490 145189866 /nfs/dbraw/zinc/18/98/66/145189866.db2.gz GECKDWPOEQHCOR-UHFFFAOYSA-N -2 3 343.788 2.864 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(-c3ccccc3)[nH]n2)c1 ZINC000342782914 145191325 /nfs/dbraw/zinc/19/13/25/145191325.db2.gz PCTZUPFEVXQTDO-UHFFFAOYSA-N -2 3 345.380 2.592 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1 ZINC000342782914 145191327 /nfs/dbraw/zinc/19/13/27/145191327.db2.gz PCTZUPFEVXQTDO-UHFFFAOYSA-N -2 3 345.380 2.592 20 0 EFADHL CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1F ZINC000349106997 146053906 /nfs/dbraw/zinc/05/39/06/146053906.db2.gz JBSGCVFOAOGMGM-ALCCZGGFSA-N -2 3 332.331 2.826 20 0 EFADHL Cc1nc(C=Cc2ccc(C(=O)[O-])cc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000349106416 146053997 /nfs/dbraw/zinc/05/39/97/146053997.db2.gz ILVCNYMFMCFUPN-SNAWJCMRSA-N -3 3 348.742 2.640 20 0 EFADHL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1nn[n-]c1-c1ccccc1 ZINC000352151634 146303126 /nfs/dbraw/zinc/30/31/26/146303126.db2.gz ZYQIKXAPBLZDPF-UHFFFAOYSA-N -2 3 348.391 2.664 20 0 EFADHL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1[n-]nnc1-c1ccccc1 ZINC000352151634 146303128 /nfs/dbraw/zinc/30/31/28/146303128.db2.gz ZYQIKXAPBLZDPF-UHFFFAOYSA-N -2 3 348.391 2.664 20 0 EFADHL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1n[n-]nc1-c1ccccc1 ZINC000352151634 146303130 /nfs/dbraw/zinc/30/31/30/146303130.db2.gz ZYQIKXAPBLZDPF-UHFFFAOYSA-N -2 3 348.391 2.664 20 0 EFADHL CSc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])c1 ZINC000360512443 148380155 /nfs/dbraw/zinc/38/01/55/148380155.db2.gz CCSWCHJPLDLCHP-UHFFFAOYSA-N -3 3 339.394 2.613 20 0 EFADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000131850049 298381738 /nfs/dbraw/zinc/38/17/38/298381738.db2.gz QAEIFXBTERTLLY-MRVPVSSYSA-N -2 3 340.228 2.915 20 0 EFADHL Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)s1 ZINC000123704115 222319145 /nfs/dbraw/zinc/31/91/45/222319145.db2.gz LNMKAOKWQIJVLW-QMMMGPOBSA-N -2 3 346.455 2.559 20 0 EFADHL CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000273746405 266547216 /nfs/dbraw/zinc/54/72/16/266547216.db2.gz PIBWGXIKQYMEQC-GHMZBOCLSA-N -2 3 349.499 2.789 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])sc1Cl ZINC000276655450 273139597 /nfs/dbraw/zinc/13/95/97/273139597.db2.gz YDMCMJANYKDDRP-QMMMGPOBSA-N -2 3 339.866 2.878 20 0 EFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCC2)c1Cl ZINC000282359149 273551442 /nfs/dbraw/zinc/55/14/42/273551442.db2.gz BDJCYQSWQCNLPO-UHFFFAOYSA-N -2 3 338.212 2.587 20 0 EFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cnn(Cc2ccccc2)c1 ZINC000127889128 293084299 /nfs/dbraw/zinc/08/42/99/293084299.db2.gz WOHWMIIJLOQUNZ-UHFFFAOYSA-N -2 3 347.371 2.577 20 0 EFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccccc1OC(F)F ZINC000131542152 293200297 /nfs/dbraw/zinc/20/02/97/293200297.db2.gz KNIBXHOQXQQAHU-UHFFFAOYSA-N -2 3 333.287 2.934 20 0 EFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000290936303 294224872 /nfs/dbraw/zinc/22/48/72/294224872.db2.gz JYIWVTZKOPTVDO-QMMMGPOBSA-N -2 3 345.364 2.545 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c1F ZINC000313217297 311231569 /nfs/dbraw/zinc/23/15/69/311231569.db2.gz JEDJOSCITUAYJT-UHFFFAOYSA-N -2 3 331.409 2.694 20 0 EFADHL Cc1oc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)cc1C(=O)[O-] ZINC000318206199 311236167 /nfs/dbraw/zinc/23/61/67/311236167.db2.gz FBEFXNCIXNDOLD-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)CC(F)(F)F ZINC000402618831 311973372 /nfs/dbraw/zinc/97/33/72/311973372.db2.gz UNRIKPHVMAKSLE-MRVPVSSYSA-N -2 3 343.323 2.543 20 0 EFADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C ZINC000427247184 312539152 /nfs/dbraw/zinc/53/91/52/312539152.db2.gz YFJKZTHPHFXFPE-UHFFFAOYSA-N -2 3 343.788 2.727 20 0 EFADHL COc1ccc([O-])c([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)c1 ZINC000451027986 312800790 /nfs/dbraw/zinc/80/07/90/312800790.db2.gz NTIXEKYDIKZYCM-MRXNPFEDSA-N -2 3 337.397 2.530 20 0 EFADHL CCc1cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])ccc1F ZINC000507570437 315488437 /nfs/dbraw/zinc/48/84/37/315488437.db2.gz UHNRSUCBBJBOSX-UHFFFAOYSA-N -2 3 325.361 2.903 20 0 EFADHL Cc1cc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)ccc1[O-] ZINC000513734246 315534800 /nfs/dbraw/zinc/53/48/00/315534800.db2.gz WUTOJKQHOAJRCJ-UHFFFAOYSA-N -2 3 346.184 2.785 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)c(F)c1 ZINC000547568347 318019669 /nfs/dbraw/zinc/01/96/69/318019669.db2.gz LMUYUAVQYJQPQU-MLGOLLRUSA-N -2 3 343.420 2.694 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C ZINC000547602042 318020987 /nfs/dbraw/zinc/02/09/87/318020987.db2.gz MKUCJZANAGZIIO-GFCCVEGCSA-N -2 3 343.376 2.658 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000547883498 318050876 /nfs/dbraw/zinc/05/08/76/318050876.db2.gz QLFWSWHLDXSJIX-LLVKDONJSA-N -2 3 347.392 2.817 20 0 EFADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000547936479 318053838 /nfs/dbraw/zinc/05/38/38/318053838.db2.gz KZMJGPFCHYHYEJ-GWCFXTLKSA-N -2 3 331.409 2.692 20 0 EFADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000547936483 318053866 /nfs/dbraw/zinc/05/38/66/318053866.db2.gz KZMJGPFCHYHYEJ-MFKMUULPSA-N -2 3 331.409 2.692 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1cccs1 ZINC000548197541 318083781 /nfs/dbraw/zinc/08/37/81/318083781.db2.gz GEWMRQXNMPXEQF-ZDUSSCGKSA-N -2 3 337.378 2.599 20 0 EFADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(F)cc2F)(CC(=O)[O-])C1 ZINC000548227382 318085401 /nfs/dbraw/zinc/08/54/01/318085401.db2.gz NUYIVLRWIIUQQG-ZUZCIYMTSA-N -2 3 347.383 2.524 20 0 EFADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(F)cc2F)(CC(=O)[O-])C1 ZINC000548227381 318085413 /nfs/dbraw/zinc/08/54/13/318085413.db2.gz NUYIVLRWIIUQQG-MEBBXXQBSA-N -2 3 347.383 2.524 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C ZINC000548241562 318086138 /nfs/dbraw/zinc/08/61/38/318086138.db2.gz DLTYEIUKOAJEJN-LLVKDONJSA-N -2 3 331.409 2.692 20 0 EFADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cccc(F)c2)c1F ZINC000548265630 318087339 /nfs/dbraw/zinc/08/73/39/318087339.db2.gz FTKFWLTUIIECCV-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)Cc3ccccc3F)ccc12 ZINC000548539326 318118224 /nfs/dbraw/zinc/11/82/24/318118224.db2.gz UXGLVMBJYJCZLC-UHFFFAOYSA-N -2 3 348.355 2.947 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccsc1 ZINC000548594008 318121608 /nfs/dbraw/zinc/12/16/08/318121608.db2.gz SPNVPMRBSYPQTF-LLVKDONJSA-N -2 3 349.792 2.645 20 0 EFADHL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000551596015 318210568 /nfs/dbraw/zinc/21/05/68/318210568.db2.gz BMSGAGYYIRCQHZ-HNNXBMFYSA-N -2 3 349.399 2.913 20 0 EFADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2ccc(F)cc2Cl)(C(=O)[O-])C1 ZINC000552000808 318235037 /nfs/dbraw/zinc/23/50/37/318235037.db2.gz WQFJEFVPLUFNKG-AWEZNQCLSA-N -2 3 349.811 2.791 20 0 EFADHL CCOc1cc(C(=O)N=c2cc3ccccn3[n-]2)cc(Cl)c1[O-] ZINC000553329861 318279749 /nfs/dbraw/zinc/27/97/49/318279749.db2.gz QVUJHRMUMOKFTD-UHFFFAOYSA-N -2 3 331.759 2.766 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@@H](C)C2)c(F)cc1F ZINC000554538576 318321702 /nfs/dbraw/zinc/32/17/02/318321702.db2.gz RBHDAIDQCPMIBM-PSLIRLAXSA-N -2 3 347.383 2.585 20 0 EFADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000555955190 318375269 /nfs/dbraw/zinc/37/52/69/318375269.db2.gz VONDWRGSAYXDKC-NSHDSACASA-N -2 3 349.399 2.914 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(C)(C)C)C(=O)[O-] ZINC000559959864 318522667 /nfs/dbraw/zinc/52/26/67/318522667.db2.gz UZNITWGBOIFNIQ-SNVBAGLBSA-N -2 3 349.836 2.516 20 0 EFADHL CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000563067975 318736536 /nfs/dbraw/zinc/73/65/36/318736536.db2.gz ISPJUFGBFZFJKX-NWDGAFQWSA-N -2 3 347.458 2.629 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000563139754 318745385 /nfs/dbraw/zinc/74/53/85/318745385.db2.gz APKQPTHACRRMJK-SJORKVTESA-N -2 3 339.391 2.895 20 0 EFADHL CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000563710308 318811257 /nfs/dbraw/zinc/81/12/57/318811257.db2.gz UOSLZHFAGIXTNQ-ZDUSSCGKSA-N -2 3 339.438 2.746 20 0 EFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)C1 ZINC000563874335 318824490 /nfs/dbraw/zinc/82/44/90/318824490.db2.gz ZHDMLJLWSYEASF-APPZFPTMSA-N -2 3 338.212 2.525 20 0 EFADHL Cc1csc(S(=O)(=O)[N-]C[C@@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000564921880 318911422 /nfs/dbraw/zinc/91/14/22/318911422.db2.gz WAWJBIPWCCOCEI-CYBMUJFWSA-N -2 3 339.438 2.512 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000566179730 319044446 /nfs/dbraw/zinc/04/44/46/319044446.db2.gz NNGXBEMZELJIJC-KXUCPTDWSA-N -2 3 347.458 2.558 20 0 EFADHL CCc1cc(=O)[n-]c(CN2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)n1 ZINC000566510598 319085897 /nfs/dbraw/zinc/08/58/97/319085897.db2.gz WAKCQUXODIZJSC-LSDHHAIUSA-N -2 3 327.384 2.535 20 0 EFADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C1CCC1 ZINC000566617435 319095547 /nfs/dbraw/zinc/09/55/47/319095547.db2.gz FLSFEHNABUETBL-CYBMUJFWSA-N -2 3 329.418 2.923 20 0 EFADHL C/C=C\C[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000567163944 319144501 /nfs/dbraw/zinc/14/45/01/319144501.db2.gz HQOUPVAGTIFWKM-MVZIDQBPSA-N -2 3 341.360 2.578 20 0 EFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000567382610 319166497 /nfs/dbraw/zinc/16/64/97/319166497.db2.gz NTOOVYDDRLGIMB-AWEZNQCLSA-N -2 3 337.397 2.696 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)C1CCCCC1 ZINC000570159770 319449407 /nfs/dbraw/zinc/44/94/07/319449407.db2.gz NCDICAFGLCGQMA-SECBINFHSA-N -2 3 347.458 2.702 20 0 EFADHL CC(C)c1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC000576940434 320062988 /nfs/dbraw/zinc/06/29/88/320062988.db2.gz OJAFPKLFILVOKM-UHFFFAOYSA-N -2 3 337.397 2.622 20 0 EFADHL COc1ccc([O-])c([N-]S(=O)(=O)CCC2Cc3ccccc3C2)c1 ZINC000577638807 320130469 /nfs/dbraw/zinc/13/04/69/320130469.db2.gz BNLVXWFFFOWFKL-UHFFFAOYSA-N -2 3 347.436 2.948 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000578318249 320194667 /nfs/dbraw/zinc/19/46/67/320194667.db2.gz KSIVUGUBKPLCRB-JSGCOSHPSA-N -2 3 343.420 2.836 20 0 EFADHL CC(C)(C)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)Cc2ccon2)c1 ZINC000578549367 320216947 /nfs/dbraw/zinc/21/69/47/320216947.db2.gz JENCUHXERDYILA-UHFFFAOYSA-N -2 3 338.385 2.612 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2C2CC2)c1 ZINC000578605138 320220910 /nfs/dbraw/zinc/22/09/10/320220910.db2.gz AFXLAQDZACWIKT-ZYHUDNBSSA-N -2 3 329.443 2.551 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCCCC2(F)F)c1 ZINC000389762848 323773002 /nfs/dbraw/zinc/77/30/02/323773002.db2.gz YSXRWROTWNTKCI-SECBINFHSA-N -2 3 339.385 2.550 20 0 EFADHL Cc1cnc(SC/C=C\CSc2ncc(C)c(=O)[n-]2)[n-]c1=O ZINC000580330495 324144134 /nfs/dbraw/zinc/14/41/34/324144134.db2.gz LQOGGGWYUOXZGP-ARJAWSKDSA-N -2 3 336.442 2.735 20 0 EFADHL O=C([O-])c1cccc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000111404041 473210903 /nfs/dbraw/zinc/21/09/03/473210903.db2.gz ZBDBZFRAPOENOQ-UHFFFAOYSA-N -2 3 345.829 2.621 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1nc(C)cs1 ZINC000185007526 473300046 /nfs/dbraw/zinc/30/00/46/473300046.db2.gz YBMUMCIDBCKKCW-VIFPVBQESA-N -2 3 346.455 2.641 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1cccs1 ZINC000125290249 473388606 /nfs/dbraw/zinc/38/86/06/473388606.db2.gz ILJRESDDFGDHRK-SECBINFHSA-N -2 3 337.831 2.567 20 0 EFADHL COc1ccc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC000622000460 479876111 /nfs/dbraw/zinc/87/61/11/479876111.db2.gz NSVHSRKBCYWKPA-UHFFFAOYSA-N -2 3 343.379 2.908 20 0 EFADHL COc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1C ZINC000435729613 477359830 /nfs/dbraw/zinc/35/98/30/477359830.db2.gz AVZOQLCRXHTRIB-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL C[C@H]1CCCN(Cc2cccc([O-])c2Br)[C@@H]1C(=O)[O-] ZINC000424418772 477400360 /nfs/dbraw/zinc/40/03/60/477400360.db2.gz ZHLTTZRZSKBANN-ZANVPECISA-N -2 3 328.206 2.840 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCCC(=O)[O-])cc2)cc1 ZINC000000011961 471317573 /nfs/dbraw/zinc/31/75/73/471317573.db2.gz WQQUHUOZPZPGSG-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)ccc1F ZINC000007050606 471587509 /nfs/dbraw/zinc/58/75/09/471587509.db2.gz VDJYRGZHRLIRLK-UHFFFAOYSA-N -2 3 335.356 2.813 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1C(=O)[O-] ZINC000014097324 471852249 /nfs/dbraw/zinc/85/22/49/471852249.db2.gz XAHGOFYBCYAMQW-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL CCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000035651043 471995963 /nfs/dbraw/zinc/99/59/63/471995963.db2.gz YQPLEXCCSWAHHS-UHFFFAOYSA-N -2 3 335.809 2.514 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCCC1 ZINC000036947354 472008720 /nfs/dbraw/zinc/00/87/20/472008720.db2.gz JNUKRKVRVRLJTG-UHFFFAOYSA-N -2 3 338.212 2.669 20 0 EFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000037374595 472011561 /nfs/dbraw/zinc/01/15/61/472011561.db2.gz ZKDTYQLHMJBMMG-LLVKDONJSA-N -2 3 340.228 2.771 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000024433304 472054645 /nfs/dbraw/zinc/05/46/45/472054645.db2.gz NITXBLFFDVSNTO-UHFFFAOYSA-N -2 3 335.356 2.813 20 0 EFADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc(-c2cccs2)on1 ZINC000026252661 472129351 /nfs/dbraw/zinc/12/93/51/472129351.db2.gz ZHXPULVPKMNFIC-UHFFFAOYSA-N -2 3 329.263 2.792 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC000055678443 472223135 /nfs/dbraw/zinc/22/31/35/472223135.db2.gz MMEKIDKFVZJKJG-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000085326221 472237227 /nfs/dbraw/zinc/23/72/27/472237227.db2.gz QZECWLDTUOURNU-APPZFPTMSA-N -2 3 338.212 2.525 20 0 EFADHL CCc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000032586494 472444651 /nfs/dbraw/zinc/44/46/51/472444651.db2.gz HMKUXGGUIUYTNU-UHFFFAOYSA-N -2 3 335.381 2.513 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(Cl)s2)c1 ZINC000070211589 472495099 /nfs/dbraw/zinc/49/50/99/472495099.db2.gz KVPJVPNEAXPNPD-UHFFFAOYSA-N -2 3 337.831 2.640 20 0 EFADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 ZINC000058377221 472558029 /nfs/dbraw/zinc/55/80/29/472558029.db2.gz OBWLGKOOVICCJE-LLVKDONJSA-N -2 3 347.392 2.539 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCCc3sccc32)c1 ZINC000061363352 472698963 /nfs/dbraw/zinc/69/89/63/472698963.db2.gz KXPOTAJVUNJXDU-JTQLQIEISA-N -2 3 343.451 2.864 20 0 EFADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000131879268 472699113 /nfs/dbraw/zinc/69/91/13/472699113.db2.gz XSJOWUOWZZMPDB-QMMMGPOBSA-N -2 3 340.228 2.915 20 0 EFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000061609295 472710319 /nfs/dbraw/zinc/71/03/19/472710319.db2.gz MGULDLUGDBDUSH-SNVBAGLBSA-N -2 3 345.829 2.548 20 0 EFADHL Cc1ccc([O-])c([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c1 ZINC000133555837 472816283 /nfs/dbraw/zinc/81/62/83/472816283.db2.gz YNDOWEJNVIHVKH-SJCJKPOMSA-N -2 3 337.441 2.838 20 0 EFADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(F)cc2[O-])CC1 ZINC000123307075 473125665 /nfs/dbraw/zinc/12/56/65/473125665.db2.gz DGXZMJBVWQEXFL-UHFFFAOYSA-N -2 3 343.354 2.972 20 0 EFADHL Cc1[nH]nc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3C)ccc12 ZINC000093909530 473161225 /nfs/dbraw/zinc/16/12/25/473161225.db2.gz UHGSWYOXISTUPN-UHFFFAOYSA-N -2 3 345.380 2.679 20 0 EFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000123916592 473197672 /nfs/dbraw/zinc/19/76/72/473197672.db2.gz NSFPBMSBNFVKFY-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)ccc1[O-] ZINC000163397203 473440858 /nfs/dbraw/zinc/44/08/58/473440858.db2.gz BANNNNLKFMPNQW-UHFFFAOYSA-N -2 3 338.360 2.599 20 0 EFADHL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(Cl)c1[O-] ZINC000172356840 473589717 /nfs/dbraw/zinc/58/97/17/473589717.db2.gz BFKWFUIIJFGPRU-UHFFFAOYSA-N -2 3 340.788 2.669 20 0 EFADHL C[C@@H](CN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC000263268916 473746159 /nfs/dbraw/zinc/74/61/59/473746159.db2.gz VRUCZFNTHBILPJ-ZDUSSCGKSA-N -2 3 343.379 2.764 20 0 EFADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000281994338 473911181 /nfs/dbraw/zinc/91/11/81/473911181.db2.gz NSUYFXABHXMHCV-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL CSCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000274812247 473969353 /nfs/dbraw/zinc/96/93/53/473969353.db2.gz VYJIBJMFSVKHST-UHFFFAOYSA-N -2 3 349.449 2.644 20 0 EFADHL O=S(=O)(CCCCF)[N-]c1n[n-]c(SCc2ccccc2)n1 ZINC000288613584 474001533 /nfs/dbraw/zinc/00/15/33/474001533.db2.gz PNISIESWWXTCSK-UHFFFAOYSA-N -2 3 344.437 2.588 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)c(F)c1 ZINC000174271060 474015771 /nfs/dbraw/zinc/01/57/71/474015771.db2.gz DFUOTONUGKVJTF-MRXNPFEDSA-N -2 3 349.383 2.954 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)[O-] ZINC000275028468 474047121 /nfs/dbraw/zinc/04/71/21/474047121.db2.gz PTKRJUPQMCGUQT-UHFFFAOYSA-N -2 3 340.228 2.773 20 0 EFADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000217105336 474142438 /nfs/dbraw/zinc/14/24/38/474142438.db2.gz BFVAYCZWDMGMOS-GFCCVEGCSA-N -2 3 340.228 2.773 20 0 EFADHL C[C@H](CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000229517656 474255219 /nfs/dbraw/zinc/25/52/19/474255219.db2.gz CQUXCAOKXPNVGL-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL O=C([N-]c1nnc(C(F)F)s1)c1nn(-c2ccccc2)cc1[O-] ZINC000175693499 474284479 /nfs/dbraw/zinc/28/44/79/474284479.db2.gz DHQYTMBYRPRDOP-UHFFFAOYSA-N -2 3 337.311 2.619 20 0 EFADHL C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1Cc1cc([O-])cc(F)c1 ZINC000292859100 474678344 /nfs/dbraw/zinc/67/83/44/474678344.db2.gz VBYTWLMRNPXGHK-NOZJJQNGSA-N -2 3 334.313 2.563 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C)cc1CC(=O)[O-] ZINC000340901213 474762777 /nfs/dbraw/zinc/76/27/77/474762777.db2.gz OLJSOPSGDIKNNB-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000314752673 474865921 /nfs/dbraw/zinc/86/59/21/474865921.db2.gz FGQNLDNVIGYTSO-RKDXNWHRSA-N -2 3 349.836 2.760 20 0 EFADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000314953470 474868131 /nfs/dbraw/zinc/86/81/31/474868131.db2.gz CMKCKCMOFNPMPK-NSHDSACASA-N -2 3 339.438 2.918 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1C ZINC000316953941 474882692 /nfs/dbraw/zinc/88/26/92/474882692.db2.gz YYNJYFWTIPMXPG-GZMMTYOYSA-N -2 3 347.820 2.514 20 0 EFADHL CCC(C)(CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000320144671 474908515 /nfs/dbraw/zinc/90/85/15/474908515.db2.gz FWNKHAVWFLEVFA-UHFFFAOYSA-N -2 3 349.836 2.904 20 0 EFADHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000320595932 474916061 /nfs/dbraw/zinc/91/60/61/474916061.db2.gz COMIAMLYKCXCBG-UHFFFAOYSA-N -2 3 341.335 2.647 20 0 EFADHL COc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1 ZINC000321091188 474921295 /nfs/dbraw/zinc/92/12/95/474921295.db2.gz AERJTOHMXMXLPD-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1C(=O)[O-] ZINC000321120402 474922179 /nfs/dbraw/zinc/92/21/79/474922179.db2.gz PZJAFZFLGSFTOA-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000285236143 474939038 /nfs/dbraw/zinc/93/90/38/474939038.db2.gz TYPAMXDJULYSKN-VIFPVBQESA-N -2 3 338.212 2.525 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1C(=O)[O-] ZINC000323772506 474955183 /nfs/dbraw/zinc/95/51/83/474955183.db2.gz AAEHKRGNGUDRIJ-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2F)cc1C(=O)[O-] ZINC000323813133 474955764 /nfs/dbraw/zinc/95/57/64/474955764.db2.gz OJTNVKURNKIGAF-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL COc1cccc(OC)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000347392513 475290664 /nfs/dbraw/zinc/29/06/64/475290664.db2.gz RYNOOHULXZQJMV-CLFYSBASSA-N -2 3 344.367 2.695 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)c1 ZINC000337882780 475404503 /nfs/dbraw/zinc/40/45/03/475404503.db2.gz ZLQLQFJXGJCDLG-UHFFFAOYSA-N -2 3 344.392 2.992 20 0 EFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000296884001 475520430 /nfs/dbraw/zinc/52/04/30/475520430.db2.gz FRTONRLVFHMDMV-VIFPVBQESA-N -2 3 340.228 2.915 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000355045739 475622567 /nfs/dbraw/zinc/62/25/67/475622567.db2.gz CIQIDKVCPQNSPA-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000297191215 475649829 /nfs/dbraw/zinc/64/98/29/475649829.db2.gz LWADTHLGVKYOOR-GWCFXTLKSA-N -2 3 347.383 2.667 20 0 EFADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000297309904 475700983 /nfs/dbraw/zinc/70/09/83/475700983.db2.gz WDDJCRKCLSZMAT-QMTHXVAHSA-N -2 3 347.383 2.667 20 0 EFADHL COc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)cc1C ZINC000358492945 475720995 /nfs/dbraw/zinc/72/09/95/475720995.db2.gz HOYXSHCFJAQXNZ-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CCOC(=O)c1ccc([N-]S(=O)(=O)CCc2ccccc2)c([O-])c1 ZINC000346648238 475732128 /nfs/dbraw/zinc/73/21/28/475732128.db2.gz FPAICEZCWGIASS-UHFFFAOYSA-N -2 3 349.408 2.553 20 0 EFADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1C ZINC000358527650 475746929 /nfs/dbraw/zinc/74/69/29/475746929.db2.gz HNNAQKKWFYIVNG-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000358553975 475767247 /nfs/dbraw/zinc/76/72/47/475767247.db2.gz AKKXZDDBTKOZOS-UHFFFAOYSA-N -2 3 335.381 2.973 20 0 EFADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1 ZINC000358564775 475774042 /nfs/dbraw/zinc/77/40/42/475774042.db2.gz SWWBKALTVFYUKX-UHFFFAOYSA-N -2 3 335.381 2.973 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(C)c1C ZINC000361981914 475914544 /nfs/dbraw/zinc/91/45/44/475914544.db2.gz POCUUNUMSVBMDU-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c(F)c1 ZINC000361989124 475918171 /nfs/dbraw/zinc/91/81/71/475918171.db2.gz WSXXJJNFSBPGJW-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL COCCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000362126891 476018123 /nfs/dbraw/zinc/01/81/23/476018123.db2.gz WCCGKNUGTALUFV-UHFFFAOYSA-N -2 3 349.408 2.683 20 0 EFADHL O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)Nc1ccccc1[O-] ZINC000358919827 476040171 /nfs/dbraw/zinc/04/01/71/476040171.db2.gz DOVKOHPOPWGHIJ-UHFFFAOYSA-N -2 3 345.302 2.637 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)CC(=O)[O-] ZINC000340454605 476045230 /nfs/dbraw/zinc/04/52/30/476045230.db2.gz HADXGYLVYYDZFP-SSDOTTSWSA-N -2 3 331.777 2.536 20 0 EFADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(CC(=O)[O-])cc3)n[n-]2)o1 ZINC000347116233 476104777 /nfs/dbraw/zinc/10/47/77/476104777.db2.gz RNPUVCWDXWSMEM-UHFFFAOYSA-N -2 3 325.324 2.858 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(F)c1 ZINC000336852865 476142159 /nfs/dbraw/zinc/14/21/59/476142159.db2.gz ZTUNKZGHBBYHQX-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000336852476 476142668 /nfs/dbraw/zinc/14/26/68/476142668.db2.gz RDRYSMNUAKZFDX-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)[C@H]1C ZINC000336855829 476142816 /nfs/dbraw/zinc/14/28/16/476142816.db2.gz ZLTVQHAULMINHC-GBIKHYSHSA-N -2 3 329.393 2.627 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000336875469 476159443 /nfs/dbraw/zinc/15/94/43/476159443.db2.gz HDAFDVCQDJHBEO-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CCCC[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000359082412 476172954 /nfs/dbraw/zinc/17/29/54/476172954.db2.gz WXMLFPQZOAJERO-LBPRGKRZSA-N -2 3 343.376 2.802 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)CCc2cccs2)c(F)c1 ZINC000357172816 476276195 /nfs/dbraw/zinc/27/61/95/476276195.db2.gz OHEBGOZZGPTWDC-UHFFFAOYSA-N -2 3 329.374 2.570 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)ccc1F ZINC000357211068 476292125 /nfs/dbraw/zinc/29/21/25/476292125.db2.gz LVFLUEXRCQSGHN-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c1 ZINC000387940504 476774781 /nfs/dbraw/zinc/77/47/81/476774781.db2.gz ADXXKEVEUSSEOS-NEPJUHHUSA-N -2 3 331.409 2.692 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1C ZINC000391347617 476812915 /nfs/dbraw/zinc/81/29/15/476812915.db2.gz CITZHCRHGKEFSA-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000430374451 476822597 /nfs/dbraw/zinc/82/25/97/476822597.db2.gz BOCPTLWVZREBCC-JTQLQIEISA-N -2 3 340.228 2.915 20 0 EFADHL Cc1o[n-]c(=NC(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])c1C ZINC000452165911 476862745 /nfs/dbraw/zinc/86/27/45/476862745.db2.gz RSKGZGAUGXOCCO-UHFFFAOYSA-N -2 3 340.383 2.980 20 0 EFADHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1c(F)c(F)cc(F)c1F ZINC000446757593 476916251 /nfs/dbraw/zinc/91/62/51/476916251.db2.gz UYQDNMJPHXZWCI-UHFFFAOYSA-N -2 3 337.236 2.675 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)c(F)c1 ZINC000404992302 476924415 /nfs/dbraw/zinc/92/44/15/476924415.db2.gz CXSUZOKSZKIKJL-UHFFFAOYSA-N -2 3 343.420 2.838 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](CC(C)C)C(=O)[O-])nc2)n1 ZINC000424372813 477381802 /nfs/dbraw/zinc/38/18/02/477381802.db2.gz IOAONXQUUQTMOH-CYBMUJFWSA-N -2 3 344.415 2.965 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc3[nH]ccc3cc2C)c1 ZINC000436177479 477433689 /nfs/dbraw/zinc/43/36/89/477433689.db2.gz GALSSDDDLRHCFN-UHFFFAOYSA-N -2 3 332.381 2.991 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)cc1 ZINC000436476904 477487916 /nfs/dbraw/zinc/48/79/16/477487916.db2.gz KAFHABMWPNPLQJ-UHFFFAOYSA-N -2 3 335.381 2.542 20 0 EFADHL CC(C)c1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c([O-])c1 ZINC000436557022 477514168 /nfs/dbraw/zinc/51/41/68/477514168.db2.gz PXJLZGXVYRSRTP-UHFFFAOYSA-N -2 3 337.383 2.626 20 0 EFADHL Cc1ccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c([O-])c1 ZINC000436593134 477526785 /nfs/dbraw/zinc/52/67/85/477526785.db2.gz ARGTYBSFPIGOBU-UHFFFAOYSA-N -2 3 346.184 2.785 20 0 EFADHL CN(C)c1nc(-c2nc(-c3ccc([O-])c4ccccc34)no2)cc(=O)[n-]1 ZINC000436620429 477534944 /nfs/dbraw/zinc/53/49/44/477534944.db2.gz VOONYPSKOUZWOA-UHFFFAOYSA-N -2 3 349.350 2.824 20 0 EFADHL CCOCCN(Cc1ccc(C(=O)[O-])o1)C(=O)c1ccc(C)cc1[O-] ZINC000436648157 477543694 /nfs/dbraw/zinc/54/36/94/477543694.db2.gz MCAOSXBECSSFKS-UHFFFAOYSA-N -2 3 347.367 2.671 20 0 EFADHL O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000436772115 477584697 /nfs/dbraw/zinc/58/46/97/477584697.db2.gz JATBKAKPYFMZEP-GFCCVEGCSA-N -2 3 339.351 2.654 20 0 EFADHL COc1cccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1[O-] ZINC000436778765 477587013 /nfs/dbraw/zinc/58/70/13/477587013.db2.gz HUZCWZPXHOKHTJ-UHFFFAOYSA-N -2 3 325.324 2.749 20 0 EFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc3c2CCCC3)c1 ZINC000436896157 477628324 /nfs/dbraw/zinc/62/83/24/477628324.db2.gz XFBYANUPIWPOOY-UHFFFAOYSA-N -3 3 347.392 2.770 20 0 EFADHL Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC000436934959 477641169 /nfs/dbraw/zinc/64/11/69/477641169.db2.gz ISDYWEICMAWXNP-HNNXBMFYSA-N -2 3 327.380 2.907 20 0 EFADHL [O-]c1ccc(F)c(CN=c2[n-]nc(Cc3cccc(F)c3)o2)c1F ZINC000436966325 477651825 /nfs/dbraw/zinc/65/18/25/477651825.db2.gz PPNRTWKZWCZELW-UHFFFAOYSA-N -2 3 335.285 2.817 20 0 EFADHL CCCCOc1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c([O-])c1 ZINC000436991276 477658559 /nfs/dbraw/zinc/65/85/59/477658559.db2.gz UYHCXJKPLWRGQM-UHFFFAOYSA-N -2 3 344.293 2.960 20 0 EFADHL CCCCOc1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c([O-])c1 ZINC000436991276 477658567 /nfs/dbraw/zinc/65/85/67/477658567.db2.gz UYHCXJKPLWRGQM-UHFFFAOYSA-N -2 3 344.293 2.960 20 0 EFADHL CCCCOc1ccc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c([O-])c1 ZINC000436991276 477658575 /nfs/dbraw/zinc/65/85/75/477658575.db2.gz UYHCXJKPLWRGQM-UHFFFAOYSA-N -2 3 344.293 2.960 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(Cl)c1 ZINC000558037674 477840247 /nfs/dbraw/zinc/84/02/47/477840247.db2.gz GGQOYEWEJZVFOK-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@@H](C)C2)cc1F ZINC000558589077 477891595 /nfs/dbraw/zinc/89/15/95/477891595.db2.gz XAULEWHVWJYENB-RFAUZJTJSA-N -2 3 347.383 2.585 20 0 EFADHL CC[C@@H](CS(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C)OC ZINC000421155823 477987753 /nfs/dbraw/zinc/98/77/53/477987753.db2.gz OTVOXYVQVKOWMX-NSHDSACASA-N -2 3 329.418 2.675 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])c(F)c1 ZINC000560480680 478090435 /nfs/dbraw/zinc/09/04/35/478090435.db2.gz GDTMNUQHAVSZFZ-JSGCOSHPSA-N -2 3 343.420 2.836 20 0 EFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000517821149 478125765 /nfs/dbraw/zinc/12/57/65/478125765.db2.gz RORVTGCYURUJMD-SECBINFHSA-N -2 3 340.228 2.629 20 0 EFADHL Cc1nc(C=Cc2ccnn2C2CCCC2)[n-]c(=O)c1CC(=O)[O-] ZINC000518696442 478184404 /nfs/dbraw/zinc/18/44/04/478184404.db2.gz PGVUDGHLVDETAQ-VOTSOKGWSA-N -2 3 328.372 2.600 20 0 EFADHL Cc1nc(C=Cc2ccnn2C2CCCC2)[n-]c(=O)c1CC(=O)[O-] ZINC000518696441 478184789 /nfs/dbraw/zinc/18/47/89/478184789.db2.gz PGVUDGHLVDETAQ-SREVYHEPSA-N -2 3 328.372 2.600 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@]2(C)CCCc3ccccc32)cc1C(=O)[O-] ZINC000519394497 478223169 /nfs/dbraw/zinc/22/31/69/478223169.db2.gz JTQQWVLPBKBPOG-QGZVFWFLSA-N -2 3 349.408 2.816 20 0 EFADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000562982380 478400511 /nfs/dbraw/zinc/40/05/11/478400511.db2.gz WGJSTIMRCFCBJV-ZANVPECISA-N -2 3 349.811 2.791 20 0 EFADHL CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000563067979 478439046 /nfs/dbraw/zinc/43/90/46/478439046.db2.gz ISPJUFGBFZFJKX-VXGBXAGGSA-N -2 3 347.458 2.629 20 0 EFADHL Cc1nc(C=Cc2cnn(CC(C)C)c2)[n-]c(=O)c1CCC(=O)[O-] ZINC000581923028 478466251 /nfs/dbraw/zinc/46/62/51/478466251.db2.gz BYFDFZONTYBLCQ-XQRVVYSFSA-N -2 3 330.388 2.531 20 0 EFADHL CC(C)(C)CC[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(=O)[O-] ZINC000570964077 478492758 /nfs/dbraw/zinc/49/27/58/478492758.db2.gz GRBODAXLMKQJNF-AWEZNQCLSA-N -2 3 330.384 2.537 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCC[C@H](C)CC1 ZINC000571162239 478533938 /nfs/dbraw/zinc/53/39/38/478533938.db2.gz LWMYNAZEBDDOSF-UWVGGRQHSA-N -2 3 347.458 2.702 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1nc(C)cs1 ZINC000564919297 478860193 /nfs/dbraw/zinc/86/01/93/478860193.db2.gz KGHCFVSNJAQWHK-QMMMGPOBSA-N -2 3 346.455 2.641 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)Cc1ccccc1 ZINC000572957440 478959440 /nfs/dbraw/zinc/95/94/40/478959440.db2.gz BMUIQSAZAZDLKF-UHFFFAOYSA-N -2 3 337.397 2.525 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCc3ccc(F)cc32)c1 ZINC000546250400 479016939 /nfs/dbraw/zinc/01/69/39/479016939.db2.gz KMTIATDLIXUYJB-GFCCVEGCSA-N -2 3 341.385 2.551 20 0 EFADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000565702233 479064579 /nfs/dbraw/zinc/06/45/79/479064579.db2.gz RFVTYXZKKANFPI-SFYZADRCSA-N -2 3 347.845 2.942 20 0 EFADHL CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000596086817 479130826 /nfs/dbraw/zinc/13/08/26/479130826.db2.gz BIJUAOYYJAGLHY-QWRGUYRKSA-N -2 3 347.458 2.629 20 0 EFADHL CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000596088989 479132137 /nfs/dbraw/zinc/13/21/37/479132137.db2.gz QLAUDHDUYOUAHV-GHMZBOCLSA-N -2 3 347.458 2.629 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCCC[C@@H]1CCC(=O)[O-] ZINC000584704687 479210384 /nfs/dbraw/zinc/21/03/84/479210384.db2.gz WBMDQUHSQQADQV-TZMCWYRMSA-N -2 3 343.420 2.836 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]CC2CC(c3ccccc3)C2)cc1C(=O)[O-] ZINC000574633989 479320081 /nfs/dbraw/zinc/32/00/81/479320081.db2.gz FPCTWSOJWKQOIC-UHFFFAOYSA-N -2 3 349.408 2.758 20 0 EFADHL COC(=O)C1(CS(=O)(=O)[N-]c2c([O-])cccc2Cl)CCCC1 ZINC000603420678 479380697 /nfs/dbraw/zinc/38/06/97/479380697.db2.gz WIDVUGCKTJGKMN-UHFFFAOYSA-N -2 3 347.820 2.521 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000575764593 479470598 /nfs/dbraw/zinc/47/05/98/479470598.db2.gz GSZZVISZSLCOFT-NWDGAFQWSA-N -2 3 331.459 2.758 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000575764592 479471206 /nfs/dbraw/zinc/47/12/06/479471206.db2.gz GSZZVISZSLCOFT-NEPJUHHUSA-N -2 3 331.459 2.758 20 0 EFADHL CCO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC000629287388 480198659 /nfs/dbraw/zinc/19/86/59/480198659.db2.gz MZYZDUPMUZGTRD-CYBMUJFWSA-N -2 3 347.820 2.595 20 0 EFADHL CCO[C@@H](CS(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-])C1CC1 ZINC000629290496 480202637 /nfs/dbraw/zinc/20/26/37/480202637.db2.gz QUMOQGBKZLBILI-AWEZNQCLSA-N -2 3 341.429 2.558 20 0 EFADHL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000629291305 480202671 /nfs/dbraw/zinc/20/26/71/480202671.db2.gz CPLVHUBLHABPQT-SECBINFHSA-N -2 3 347.820 2.656 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])c(F)c1F ZINC000629312884 480208393 /nfs/dbraw/zinc/20/83/93/480208393.db2.gz OAJNHIHGISBCRR-WDEREUQCSA-N -2 3 347.383 2.585 20 0 EFADHL COC1(CS(=O)(=O)[N-]c2cc(C(=O)[O-])c(Cl)cc2C)CCC1 ZINC000634793055 480529507 /nfs/dbraw/zinc/52/95/07/480529507.db2.gz UDGJBJCOOJTEOU-UHFFFAOYSA-N -2 3 347.820 2.657 20 0 EFADHL CSc1ccc([O-])c(C(=O)NC(C)(C)c2nc(C)cc(=O)[n-]2)c1 ZINC000636112048 480800979 /nfs/dbraw/zinc/80/09/79/480800979.db2.gz OMOHQSKRDLFQGV-UHFFFAOYSA-N -2 3 333.413 2.583 20 0 EFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)sc21 ZINC000645935461 480976400 /nfs/dbraw/zinc/97/64/00/480976400.db2.gz BYLWXSBBYKETSP-LBPRGKRZSA-N -2 3 327.427 2.597 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2)cc1C(=O)[O-] ZINC000645951238 480987153 /nfs/dbraw/zinc/98/71/53/480987153.db2.gz VWEWJRZYCFDZBH-UHFFFAOYSA-N -2 3 337.397 2.542 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1(C)CCC(C)CC1 ZINC000645961645 480991451 /nfs/dbraw/zinc/99/14/51/480991451.db2.gz KMFWCNGTLDHLIN-UHFFFAOYSA-N -2 3 347.458 2.702 20 0 EFADHL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000641682007 481003110 /nfs/dbraw/zinc/00/31/10/481003110.db2.gz MIWYPILMVULFQC-QWHCGFSZSA-N -2 3 347.820 2.738 20 0 EFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@@H](CC3CC3)C(=O)[O-])sc21 ZINC000646034050 481030379 /nfs/dbraw/zinc/03/03/79/481030379.db2.gz ZMRHFKGKOPGSTL-LBPRGKRZSA-N -2 3 339.438 2.741 20 0 EFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@@H](CC(F)F)C(=O)[O-])sc21 ZINC000646046972 481038716 /nfs/dbraw/zinc/03/87/16/481038716.db2.gz SREDXGIJNIDURH-VIFPVBQESA-N -2 3 349.380 2.596 20 0 EFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc3ccccc3c2F)CC1 ZINC000650427578 481091040 /nfs/dbraw/zinc/09/10/40/481091040.db2.gz MVNQEZLUTLSZAR-SNVBAGLBSA-N -2 3 337.372 2.511 20 0 EFADHL COc1ccc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c([O-])c1 ZINC000647825938 481127612 /nfs/dbraw/zinc/12/76/12/481127612.db2.gz OONZGZZXNUCJRF-UHFFFAOYSA-N -2 3 325.324 2.749 20 0 EFADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000669623369 481244804 /nfs/dbraw/zinc/24/48/04/481244804.db2.gz FRVGKDROUHJOFO-LLVKDONJSA-N -2 3 349.399 2.914 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653494083 481282743 /nfs/dbraw/zinc/28/27/43/481282743.db2.gz PMYIBRDVGZMSON-GRYCIOLGSA-N -2 3 343.420 2.548 20 0 EFADHL CC(C)c1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])c([O-])c(C(C)C)c1 ZINC000653558009 481327044 /nfs/dbraw/zinc/32/70/44/481327044.db2.gz JWFASRSPAQILQQ-OAHLLOKOSA-N -2 3 335.400 2.565 20 0 EFADHL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(C)c1[O-] ZINC000643269550 481378858 /nfs/dbraw/zinc/37/88/58/481378858.db2.gz XWSCREWJZLUOBW-HNNXBMFYSA-N -2 3 335.425 2.700 20 0 EFADHL O=C([O-])C1(CNC(=O)c2c[n-]nc2-c2ccc(Cl)s2)CCC1 ZINC000659784545 481547716 /nfs/dbraw/zinc/54/77/16/481547716.db2.gz JACOQDPRTAOXSR-UHFFFAOYSA-N -2 3 339.804 2.776 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1)C(C)C ZINC000647130258 481652656 /nfs/dbraw/zinc/65/26/56/481652656.db2.gz KQVAALLQCXFALK-SWLSCSKDSA-N -2 3 343.445 2.678 20 0 EFADHL CCc1nnc([O-])c(C(=O)N=c2cc(-c3cccs3)o[n-]2)c1CC ZINC000649236811 481990155 /nfs/dbraw/zinc/99/01/55/481990155.db2.gz BVFZEUJJFVZVQA-UHFFFAOYSA-N -2 3 344.396 2.698 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c1 ZINC000654768251 482044236 /nfs/dbraw/zinc/04/42/36/482044236.db2.gz GOABBNHDNDWOLB-SECBINFHSA-N -2 3 331.440 2.612 20 0 EFADHL Cc1csc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000654769908 482044543 /nfs/dbraw/zinc/04/45/43/482044543.db2.gz DMNBFETXMHDEGT-ZDUSSCGKSA-N -2 3 339.438 2.593 20 0 EFADHL 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/nfs/dbraw/zinc/83/06/86/601830686.db2.gz QOUFYQZCWWSDNQ-UHFFFAOYSA-N -2 3 347.392 2.899 20 0 EFADHL O=C([O-])CCCCCCCNC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000403026968 602021904 /nfs/dbraw/zinc/02/19/04/602021904.db2.gz NPDUFHLXTUCNIQ-UHFFFAOYSA-N -2 3 330.384 2.683 20 0 EFADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccccc3C(=O)[O-])ccc2O1 ZINC000828078410 602309433 /nfs/dbraw/zinc/30/94/33/602309433.db2.gz MHXZDRREJMBHMI-UHFFFAOYSA-N -2 3 347.392 2.899 20 0 EFADHL O=C([O-])Cc1csc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000833268754 604667164 /nfs/dbraw/zinc/66/71/64/604667164.db2.gz FJXHLKZWMYPOKA-UHFFFAOYSA-N -2 3 332.381 2.607 20 0 EFADHL O=C([O-])[C@@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000833772437 604702609 /nfs/dbraw/zinc/70/26/09/604702609.db2.gz MKYCAECJEOREJC-HNNXBMFYSA-N -2 3 327.336 2.874 20 0 EFADHL O=C([O-])[C@@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000833772441 604702989 /nfs/dbraw/zinc/70/29/89/604702989.db2.gz MVZYIGFPWSFQBF-KRWDZBQOSA-N -2 3 339.391 2.867 20 0 EFADHL CC(C)CC(CC(C)C)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833475127 605024802 /nfs/dbraw/zinc/02/48/02/605024802.db2.gz KXUIVIBHROHCOF-UHFFFAOYSA-N -2 3 334.463 2.580 20 0 EFADHL CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Br)ccc1[O-] ZINC000833455839 605715046 /nfs/dbraw/zinc/71/50/46/605715046.db2.gz ZCAWHOSHBPUOKZ-UHFFFAOYSA-N -2 3 330.178 2.984 20 0 EFADHL Cc1c(Cl)cccc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826236983 608107812 /nfs/dbraw/zinc/10/78/12/608107812.db2.gz JYVWPNMQSBKWOD-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(O)c(C(=O)[O-])c2)ccc1Cl ZINC000000207313 1258086640 /nfs/dbraw/zinc/08/66/40/1258086640.db2.gz ZFQTVOYEJGTLCU-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL CCCC[C@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700703519 1269439935 /nfs/dbraw/zinc/43/99/35/1269439935.db2.gz VAFDZLJMPWTGEQ-NSHDSACASA-N -2 3 330.178 2.528 20 0 EFADHL CCC(CC)(CNC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700711107 1269441946 /nfs/dbraw/zinc/44/19/46/1269441946.db2.gz UGEWDFLDDOSGIB-UHFFFAOYSA-N -2 3 344.205 2.776 20 0 EFADHL Cc1ccc(C(=O)Nc2c(C)cc(C)cc2S(=O)(=O)[O-])c([O-])c1 ZINC001148500669 1281596795 /nfs/dbraw/zinc/59/67/95/1281596795.db2.gz RVGXZJZNEDSWMS-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL Cc1c(C(=O)NCCCCP(=O)([O-])[O-])cccc1C(F)(F)F ZINC001148746848 1281741983 /nfs/dbraw/zinc/74/19/83/1281741983.db2.gz ROYQYROFYDJREK-UHFFFAOYSA-N -2 3 339.250 2.702 20 0 EFADHL COc1cc(C(=O)[O-])ccc1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001174680434 1287111074 /nfs/dbraw/zinc/11/10/74/1287111074.db2.gz VREOGVDJHBGXNR-UHFFFAOYSA-N -2 3 330.340 2.544 20 0 EFADHL Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[O-] ZINC000816741754 1288259674 /nfs/dbraw/zinc/25/96/74/1288259674.db2.gz ZCEPGYMYUZDCIS-UHFFFAOYSA-N -2 3 348.359 2.729 20 0 EFADHL CC(C)Cc1ccc(CC(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001181821041 1289962136 /nfs/dbraw/zinc/96/21/36/1289962136.db2.gz VGOUYUPGBRAZPP-UHFFFAOYSA-N -2 3 327.361 2.502 20 0 EFADHL C=Cc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC001185311258 1290645463 /nfs/dbraw/zinc/64/54/63/1290645463.db2.gz YDHDCPIHVKGWON-UHFFFAOYSA-N -2 3 333.365 2.837 20 0 EFADHL Cc1ccc(C(F)(F)F)cc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001186275805 1290921593 /nfs/dbraw/zinc/92/15/93/1290921593.db2.gz FZSDCAPGHBPNQK-UHFFFAOYSA-N -2 3 339.250 2.702 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(F)n1 ZINC001188277669 1291361164 /nfs/dbraw/zinc/36/11/64/1291361164.db2.gz ZLGOPWJWYBKQIW-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL COc1cc(Br)c([O-])c(NC(=O)c2ccncc2[O-])c1 ZINC001188635999 1291438472 /nfs/dbraw/zinc/43/84/72/1291438472.db2.gz BVJJMJMSUCVGBQ-UHFFFAOYSA-N -2 3 339.145 2.516 20 0 EFADHL O=C(NCCP(=O)([O-])[O-])Nc1c(Cl)cccc1C(F)(F)F ZINC001189493273 1291736390 /nfs/dbraw/zinc/73/63/90/1291736390.db2.gz VITYNKXUJVJLDR-UHFFFAOYSA-N -2 3 346.629 2.658 20 0 EFADHL Cc1nc(NC(=O)c2cc(Br)ccc2[S-])cc(=O)[n-]1 ZINC001189950563 1291943945 /nfs/dbraw/zinc/94/39/45/1291943945.db2.gz FEBUDVOQWSTUMM-UHFFFAOYSA-N -2 3 340.202 2.794 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ncc(F)cc2F)c(Cl)c1[O-] ZINC001190183463 1292050068 /nfs/dbraw/zinc/05/00/68/1292050068.db2.gz KYLWORIKOFTIKK-UHFFFAOYSA-N -2 3 334.731 2.828 20 0 EFADHL COC(=O)c1cc([O-])c(F)cc1NC(=O)c1c([O-])ccc(F)c1F ZINC001192765020 1293028116 /nfs/dbraw/zinc/02/81/16/1293028116.db2.gz RKGCRWZIUAZPLH-UHFFFAOYSA-N -2 3 341.241 2.554 20 0 EFADHL O=C(Nc1ncc([O-])cc1Br)c1ccc(F)c(F)c1[O-] ZINC001192797647 1293050477 /nfs/dbraw/zinc/05/04/77/1293050477.db2.gz VQLXJSYVQKTOFU-UHFFFAOYSA-N -2 3 345.099 2.786 20 0 EFADHL CCc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)c1 ZINC001192804758 1293055718 /nfs/dbraw/zinc/05/57/18/1293055718.db2.gz DGFZBEPXJYJEQX-UHFFFAOYSA-N -2 3 325.361 2.903 20 0 EFADHL O=C(Nc1ncc([O-])cc1Br)c1cc(F)c([O-])cc1F ZINC001192858918 1293085497 /nfs/dbraw/zinc/08/54/97/1293085497.db2.gz CZDAJKWTJWFVNH-UHFFFAOYSA-N -2 3 345.099 2.786 20 0 EFADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccc1Br ZINC001233938529 1313021042 /nfs/dbraw/zinc/02/10/42/1313021042.db2.gz CQUUSHFLUXTVTD-ZETCQYMHSA-N -2 3 335.161 2.549 20 0 EFADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccccc2[S-])cc1F ZINC001194981764 1293767183 /nfs/dbraw/zinc/76/71/83/1293767183.db2.gz NVCCISNLBXKRCX-UHFFFAOYSA-N -2 3 340.401 2.738 20 0 EFADHL C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195244504 1293858677 /nfs/dbraw/zinc/85/86/77/1293858677.db2.gz IFKCWEVXURFTPO-ZJUUUORDSA-N -2 3 347.383 2.768 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C1CCCCC1 ZINC001195254267 1293861683 /nfs/dbraw/zinc/86/16/83/1293861683.db2.gz KQJYJDOTHWDFTG-SECBINFHSA-N -2 3 347.383 2.910 20 0 EFADHL CC(C)C([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C(C)C ZINC001195255562 1293863301 /nfs/dbraw/zinc/86/33/01/1293863301.db2.gz YYCYQGYTVZBMFJ-UHFFFAOYSA-N -2 3 335.372 2.622 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3cn[nH]c3)c2)c1 ZINC000775676664 1294101953 /nfs/dbraw/zinc/10/19/53/1294101953.db2.gz HNRNFZJBJQZAFA-UHFFFAOYSA-N -2 3 345.380 2.592 20 0 EFADHL O=C(Nc1cccc2c(=O)[nH][n-]c(=O)c12)c1cc(Cl)c(F)cc1[O-] ZINC001196467728 1294246484 /nfs/dbraw/zinc/24/64/84/1294246484.db2.gz SGFUMFFIVRSGII-UHFFFAOYSA-N -2 3 349.705 2.791 20 0 EFADHL COc1ccc(F)c(S(=O)(=O)[N-]c2cccc([O-])c2Cl)c1 ZINC001196762883 1294350117 /nfs/dbraw/zinc/35/01/17/1294350117.db2.gz IBKVAICFUKXYLX-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL COc1cccc(CS(=O)(=O)[N-]c2c([O-])cccc2C(C)=O)c1 ZINC001197382818 1294522639 /nfs/dbraw/zinc/52/26/39/1294522639.db2.gz PHQACQZDBKEJIX-UHFFFAOYSA-N -2 3 335.381 2.545 20 0 EFADHL CC(=O)c1cccc([N-]S(=O)(=O)Cc2c(F)cccc2F)c1[O-] ZINC001197602827 1294635266 /nfs/dbraw/zinc/63/52/66/1294635266.db2.gz HPKJFDWIWUCSBQ-UHFFFAOYSA-N -2 3 341.335 2.815 20 0 EFADHL CC(C)c1ccc(C(=O)NCCCCP(=O)([O-])[O-])c(Cl)n1 ZINC001199703872 1295689744 /nfs/dbraw/zinc/68/97/44/1295689744.db2.gz LOWFWAUOHSJZAI-UHFFFAOYSA-N -2 3 334.740 2.546 20 0 EFADHL Cc1nc(C=Cc2nc3c(s2)CCCC3)[n-]c(=O)c1CC(=O)[O-] ZINC000794715618 1303037825 /nfs/dbraw/zinc/03/78/25/1303037825.db2.gz VYXDMKGRKNJUOJ-VOTSOKGWSA-N -2 3 331.397 2.623 20 0 EFADHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(Cl)sc1Cl ZINC001260466321 1316340813 /nfs/dbraw/zinc/34/08/13/1316340813.db2.gz PFZATAKORYYTJX-UHFFFAOYSA-N -2 3 325.198 2.956 20 0 EFADHL CCOc1ccc(C(=O)[O-])cc1-c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001244421658 1314379357 /nfs/dbraw/zinc/37/93/57/1314379357.db2.gz WPAKXQJKPCNLLV-UHFFFAOYSA-N -2 3 328.303 2.770 20 0 EFADHL CCOc1ccc(C(=O)[O-])cc1-c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001244421658 1314379360 /nfs/dbraw/zinc/37/93/60/1314379360.db2.gz WPAKXQJKPCNLLV-UHFFFAOYSA-N -2 3 328.303 2.770 20 0 EFADHL Cc1cc2c(c(-c3ccc(OC(F)(F)F)cc3[O-])n1)C(=O)[N-]C2=O ZINC001244462833 1314383048 /nfs/dbraw/zinc/38/30/48/1314383048.db2.gz NEPXSJYAJPTZLS-UHFFFAOYSA-N -2 3 338.241 2.545 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnn(C3CCCC3)c2)c1 ZINC000901767774 1311020775 /nfs/dbraw/zinc/02/07/75/1311020775.db2.gz SBPPVHPUVWKYLB-UHFFFAOYSA-N -2 3 337.401 2.513 20 0 EFADHL CCOC(=O)C[C@@H](OCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001225019938 1311465052 /nfs/dbraw/zinc/46/50/52/1311465052.db2.gz COEBIDWAHGVNIW-CQSZACIVSA-N -2 3 330.317 2.655 20 0 EFADHL Cc1ccc(N2CCC(OCCCCP(=O)([O-])[O-])CC2)cc1 ZINC001225022717 1311465700 /nfs/dbraw/zinc/46/57/00/1311465700.db2.gz QSGCWHLZKHVCRA-UHFFFAOYSA-N -2 3 327.361 2.938 20 0 EFADHL CCOC(=O)[C@@H](CCc1ccccc1)OCCCCP(=O)([O-])[O-] ZINC001225022329 1311465728 /nfs/dbraw/zinc/46/57/28/1311465728.db2.gz NAUXASHZEXPGCH-OAHLLOKOSA-N -2 3 344.344 2.525 20 0 EFADHL COc1ccc([C@@H](C)Oc2nc3ncnc-3c([S-])[n-]2)cc1OC ZINC001226785526 1311723204 /nfs/dbraw/zinc/72/32/04/1311723204.db2.gz MRJLBEIMXNIJLE-MRVPVSSYSA-N -2 3 332.385 2.799 20 0 EFADHL CC1CCC(Oc2[n-]c(=O)nc3nc(Br)[n-]c32)CC1 ZINC001227593980 1311825786 /nfs/dbraw/zinc/82/57/86/1311825786.db2.gz JSXLDIYTBCWARN-UHFFFAOYSA-N -2 3 327.182 2.779 20 0 EFADHL C[C@H]1CCC[C@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C1 ZINC001227595089 1311825870 /nfs/dbraw/zinc/82/58/70/1311825870.db2.gz VGBCPWADOKYNHJ-BQBZGAKWSA-N -2 3 327.182 2.779 20 0 EFADHL C[C@@H]1CCC[C@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C1 ZINC001227595102 1311826668 /nfs/dbraw/zinc/82/66/68/1311826668.db2.gz VGBCPWADOKYNHJ-RQJHMYQMSA-N -2 3 327.182 2.779 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@H]1CCOC[C@@H]1F ZINC001228123091 1311903331 /nfs/dbraw/zinc/90/33/31/1311903331.db2.gz RBZXYSWGERYBSM-HOCLYGCPSA-N -2 3 348.326 2.540 20 0 EFADHL C[C@@H](O)CCCC(=O)Oc1cc([O-])ccc1C(=O)c1ccc([O-])cc1 ZINC001229298431 1312073881 /nfs/dbraw/zinc/07/38/81/1312073881.db2.gz YEOLPSONWYICAN-GFCCVEGCSA-N -2 3 344.363 2.785 20 0 EFADHL O=S(=O)(Cc1ccc(C(F)F)cc1)[N-]c1n[n-]c(C(F)F)n1 ZINC000903150123 1312412292 /nfs/dbraw/zinc/41/22/92/1312412292.db2.gz MBQXZXDYQRLJAM-UHFFFAOYSA-N -2 3 338.286 2.622 20 0 EFADHL O=C([O-])CCC(=O)Nc1ccc([N-]c2nnc(-c3ccco3)o2)cc1 ZINC001213179413 1314517760 /nfs/dbraw/zinc/51/77/60/1314517760.db2.gz NMBCRPUDAPGNNN-UHFFFAOYSA-N -2 3 342.311 2.877 20 0 EFADHL O=C([O-])c1cnc(F)c(Nc2ncc(Br)cc2[O-])c1 ZINC001215119513 1314784169 /nfs/dbraw/zinc/78/41/69/1314784169.db2.gz AKLXNDNPKUECBR-UHFFFAOYSA-N -2 3 328.097 2.526 20 0 EFADHL Nc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1F ZINC001215698473 1314869594 /nfs/dbraw/zinc/86/95/94/1314869594.db2.gz TUAPPDRAAASCEO-UHFFFAOYSA-N -2 3 344.751 2.560 20 0 EFADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(Cl)c(C(=O)[O-])c1F ZINC001215696592 1314869705 /nfs/dbraw/zinc/86/97/05/1314869705.db2.gz URXOSMAPGHWNQT-UHFFFAOYSA-N -2 3 328.643 2.520 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2nc3c(cccc3[O-])s2)cc1 ZINC001251876096 1315384138 /nfs/dbraw/zinc/38/41/38/1315384138.db2.gz HMHIJHXOAQZSNY-UHFFFAOYSA-N -2 3 336.394 2.811 20 0 EFADHL Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(C(N)=O)c([O-])c2)c1C ZINC001254166884 1315677954 /nfs/dbraw/zinc/67/79/54/1315677954.db2.gz QVSWUFUTMVWLKT-UHFFFAOYSA-N -2 3 348.424 2.526 20 0 EFADHL Cc1c(=O)[n-]n(-c2ccccc2)c1[N-]S(=O)(=O)c1ccccc1F ZINC001255551601 1315839780 /nfs/dbraw/zinc/83/97/80/1315839780.db2.gz OZIRRVQXHJURIE-UHFFFAOYSA-N -2 3 347.371 2.826 20 0 EFADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1ccc(Cl)s1 ZINC001256420192 1315939064 /nfs/dbraw/zinc/93/90/64/1315939064.db2.gz QWJRSZFSKRDYDM-UHFFFAOYSA-N -2 3 325.198 2.956 20 0 EFADHL Cc1noc(C)c1S(=O)(=O)[N-]c1cccc([O-])c1Br ZINC001258675493 1316170998 /nfs/dbraw/zinc/17/09/98/1316170998.db2.gz JZCQXJXHNGWUQG-UHFFFAOYSA-N -2 3 347.190 2.560 20 0 EFADHL COc1cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)ccc1[S-] ZINC001259178295 1316215790 /nfs/dbraw/zinc/21/57/90/1316215790.db2.gz JORPYRRJLXBKMX-UHFFFAOYSA-N -2 3 337.422 2.987 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(OC(F)F)cc2)cc1 ZINC001259430812 1316242441 /nfs/dbraw/zinc/24/24/41/1316242441.db2.gz GMTPUYQJKBXYBJ-UHFFFAOYSA-N -2 3 343.307 2.787 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2F)c1 ZINC001260189052 1316321196 /nfs/dbraw/zinc/32/11/96/1316321196.db2.gz CKBLRXCGMITMNF-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC001260189926 1316322008 /nfs/dbraw/zinc/32/20/08/1316322008.db2.gz PQLCWSGGHWRFGS-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL [CH2]CC[N-]S(=O)(=O)c1ccc(Br)cc1C(F)(F)F ZINC001260887182 1316375207 /nfs/dbraw/zinc/37/52/07/1316375207.db2.gz FQBXTOUKSYXFJS-UHFFFAOYSA-N -2 3 345.160 2.970 20 0 EFADHL CC(C)(C)[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nc(=O)o[n-]1 ZINC001557155686 1415109064 /nfs/dbraw/zinc/10/90/64/1415109064.db2.gz IDBJCYJMPAYZPD-AWEZNQCLSA-N -2 3 341.367 2.739 20 0 EFADHL CC[C@H](CC(=O)[N-]c1ncc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820881622 1429249820 /nfs/dbraw/zinc/24/98/20/1429249820.db2.gz BZORGEICIJTLJF-SNVBAGLBSA-N -2 3 328.401 2.846 20 0 EFADHL CC[C@H](CC(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820881622 1429249828 /nfs/dbraw/zinc/24/98/28/1429249828.db2.gz BZORGEICIJTLJF-SNVBAGLBSA-N -2 3 328.401 2.846 20 0 EFADHL C[C@@H](C(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1CC1 ZINC000819877684 1424885124 /nfs/dbraw/zinc/88/51/24/1424885124.db2.gz ZVWHNJTYRUJMSQ-SECBINFHSA-N -2 3 340.412 2.975 20 0 EFADHL C[C@@H](C(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1CC1 ZINC000819877684 1424885130 /nfs/dbraw/zinc/88/51/30/1424885130.db2.gz ZVWHNJTYRUJMSQ-SECBINFHSA-N -2 3 340.412 2.975 20 0 EFADHL O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(-c2nnn[n-]2)cc1 ZINC000826492364 1426718218 /nfs/dbraw/zinc/71/82/18/1426718218.db2.gz HDRBIDYJHCVSNC-UHFFFAOYSA-N -2 3 341.396 2.545 20 0 EFADHL CCc1csc([N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000736701064 1429878542 /nfs/dbraw/zinc/87/85/42/1429878542.db2.gz YEBBYYWJJIAEFG-FPLPWBNLSA-N -2 3 326.385 2.538 20 0 EFADHL CCc1csc([N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000736701064 1429878546 /nfs/dbraw/zinc/87/85/46/1429878546.db2.gz YEBBYYWJJIAEFG-FPLPWBNLSA-N -2 3 326.385 2.538 20 0 EFADHL CC(C)c1ccc(C(=O)N(C)c2cccc(-c3nn[n-]n3)c2)c([O-])c1 ZINC000824347978 1441452393 /nfs/dbraw/zinc/45/23/93/1441452393.db2.gz VLPAHRWOLDDSAN-UHFFFAOYSA-N -2 3 337.383 2.972 20 0 EFADHL CC(C)c1ccc(C(=O)N(C)c2cccc(-c3nnn[n-]3)c2)c([O-])c1 ZINC000824347978 1441452395 /nfs/dbraw/zinc/45/23/95/1441452395.db2.gz VLPAHRWOLDDSAN-UHFFFAOYSA-N -2 3 337.383 2.972 20 0 EFADHL CCc1csc([N-]C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821499432 1442209424 /nfs/dbraw/zinc/20/94/24/1442209424.db2.gz JUBWPKLJYUIEIM-VIFPVBQESA-N -2 3 343.416 2.768 20 0 EFADHL CCc1csc([N-]C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821499432 1442209426 /nfs/dbraw/zinc/20/94/26/1442209426.db2.gz JUBWPKLJYUIEIM-VIFPVBQESA-N -2 3 343.416 2.768 20 0 EFADHL CC(C)(C)c1cnc([N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000819965423 1443694032 /nfs/dbraw/zinc/69/40/32/1443694032.db2.gz GGEHYFYBZXXRRJ-UHFFFAOYSA-N -2 3 342.428 2.802 20 0 EFADHL CC(C)(C)c1cnc([N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000819965423 1443694033 /nfs/dbraw/zinc/69/40/33/1443694033.db2.gz GGEHYFYBZXXRRJ-UHFFFAOYSA-N -2 3 342.428 2.802 20 0 EFADHL CCc1ncsc1[N-]C(=O)CSc1ccc(-c2nn[n-]n2)cc1 ZINC000825754571 1443724551 /nfs/dbraw/zinc/72/45/51/1443724551.db2.gz DHEOFBWBMHCAGA-UHFFFAOYSA-N -2 3 346.441 2.616 20 0 EFADHL CCc1ncsc1[N-]C(=O)CSc1ccc(-c2nnn[n-]2)cc1 ZINC000825754571 1443724552 /nfs/dbraw/zinc/72/45/52/1443724552.db2.gz DHEOFBWBMHCAGA-UHFFFAOYSA-N -2 3 346.441 2.616 20 0 EFADHL O=C(CC1CC1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826404300 1446496391 /nfs/dbraw/zinc/49/63/91/1446496391.db2.gz VMYPWSSQXXHPSC-UHFFFAOYSA-N -2 3 326.385 2.729 20 0 EFADHL O=C(CC1CC1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826404300 1446496392 /nfs/dbraw/zinc/49/63/92/1446496392.db2.gz VMYPWSSQXXHPSC-UHFFFAOYSA-N -2 3 326.385 2.729 20 0 EFADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000826249938 1446874396 /nfs/dbraw/zinc/87/43/96/1446874396.db2.gz CBUUXKMKLDXRRN-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000826249938 1446874399 /nfs/dbraw/zinc/87/43/99/1446874399.db2.gz CBUUXKMKLDXRRN-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL CCc1cc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)ccc1C ZINC000825700328 1447014523 /nfs/dbraw/zinc/01/45/23/1447014523.db2.gz AZCRUINLUXNALA-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL CCc1cc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)ccc1C ZINC000825700328 1447014530 /nfs/dbraw/zinc/01/45/30/1447014530.db2.gz AZCRUINLUXNALA-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL O=C(CCC1CCCCC1)[N-]OCc1cccc(-c2nn[n-]n2)c1 ZINC000826405733 1449890118 /nfs/dbraw/zinc/89/01/18/1449890118.db2.gz RMEKWYUWMQHGMK-UHFFFAOYSA-N -2 3 329.404 2.775 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cc1 ZINC000325631619 713825330 /nfs/dbraw/zinc/82/53/30/713825330.db2.gz UJVCNZDIUBZPAC-UHFFFAOYSA-N -2 3 347.392 2.612 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl)C(F)F ZINC000840890504 718918945 /nfs/dbraw/zinc/91/89/45/718918945.db2.gz LMNFHJPVRQOPKA-MRVPVSSYSA-N -2 3 341.763 2.669 20 0 EFADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000909676090 726070408 /nfs/dbraw/zinc/07/04/08/726070408.db2.gz ILOMKXVQVLNMHC-XNJGSVPQSA-N -2 3 335.375 2.566 20 0 EFADHL CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000906932145 726824960 /nfs/dbraw/zinc/82/49/60/726824960.db2.gz VEVFYNKGLZXVJF-MRVPVSSYSA-N -2 3 343.298 2.533 20 0 EFADHL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc([O-])c4ccccc4c3)[C@@H]2C1 ZINC000907946331 727059949 /nfs/dbraw/zinc/05/99/49/727059949.db2.gz MGOOFQHWUWPPBN-CUBALJKWSA-N -2 3 325.364 2.775 20 0 EFADHL O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cc(C(F)(F)F)c2)C1 ZINC000908379251 727173721 /nfs/dbraw/zinc/17/37/21/727173721.db2.gz RAMNZTLZYGNCDQ-KCJUWKMLSA-N -2 3 331.290 2.784 20 0 EFADHL O=C([O-])Cc1csc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000908579127 727221112 /nfs/dbraw/zinc/22/11/12/727221112.db2.gz ABUQBFKVDQVNSW-UHFFFAOYSA-N -2 3 338.360 2.576 20 0 EFADHL C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909820967 727384120 /nfs/dbraw/zinc/38/41/20/727384120.db2.gz RHAPIHXHZUMAAY-SWLSCSKDSA-N -2 3 345.370 2.522 20 0 EFADHL Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c([O-])c1 ZINC000910677653 727458208 /nfs/dbraw/zinc/45/82/08/727458208.db2.gz AAEZZWNMQULRPV-SECBINFHSA-N -2 3 332.381 2.599 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2CC(=O)[O-])cc1 ZINC000324818784 971160394 /nfs/dbraw/zinc/16/03/94/971160394.db2.gz FZYPLEOWIMLZNG-UHFFFAOYSA-N -2 3 349.408 2.686 20 0 EFADHL Cc1nc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)ccc2[nH]1 ZINC000325054120 971179715 /nfs/dbraw/zinc/17/97/15/971179715.db2.gz QKQZAZMTFBDULC-UHFFFAOYSA-N -2 3 345.380 2.679 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823387687 946421583 /nfs/dbraw/zinc/42/15/83/946421583.db2.gz UKRRHFYRSBTZAF-SYTHDNBVSA-N -2 3 325.353 2.591 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823387687 946421589 /nfs/dbraw/zinc/42/15/89/946421589.db2.gz UKRRHFYRSBTZAF-SYTHDNBVSA-N -2 3 325.353 2.591 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2-c2nn[n-]n2)c(C)s1 ZINC000826272698 947791671 /nfs/dbraw/zinc/79/16/71/947791671.db2.gz XGUQRLJVOXLYEW-UHFFFAOYSA-N -2 3 349.441 2.654 20 0 EFADHL O=C([O-])CC1(C(=O)[N-]OCc2ccc(C(F)(F)F)cc2)CCC1 ZINC001594976868 950928720 /nfs/dbraw/zinc/92/87/20/950928720.db2.gz UTGULRKVBBNLRR-UHFFFAOYSA-N -2 3 331.290 2.898 20 0 EFADHL CCc1ccc(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC001593635185 953604641 /nfs/dbraw/zinc/60/46/41/953604641.db2.gz DIYGRGFQNXTIIJ-IBGZPJMESA-N -2 3 327.380 2.727 20 0 EFADHL O=C([O-])c1c(F)ccc(NC(=O)[N-]O[C@H]2CCCCO2)c1Cl ZINC001594785133 953659886 /nfs/dbraw/zinc/65/98/86/953659886.db2.gz LRYIPQTZOFDKJA-VIFPVBQESA-N -2 3 332.715 2.757 20 0 EFADHL O=C([O-])c1c(F)ccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1Cl ZINC001594785132 953660246 /nfs/dbraw/zinc/66/02/46/953660246.db2.gz LRYIPQTZOFDKJA-SECBINFHSA-N -2 3 332.715 2.757 20 0 EFADHL CC[C@H](CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001589549489 955210860 /nfs/dbraw/zinc/21/08/60/955210860.db2.gz UDWYJESJAXKVMO-OAHLLOKOSA-N -2 3 327.380 2.824 20 0 EFADHL CC1(C)CCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000386943785 972092725 /nfs/dbraw/zinc/09/27/25/972092725.db2.gz RQZBSBYDHJAGIJ-VIFPVBQESA-N -2 3 347.383 2.768 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-])C(F)F ZINC000389610159 972234417 /nfs/dbraw/zinc/23/44/17/972234417.db2.gz IDCLXIKOBVQTSL-ZCFIWIBFSA-N -2 3 335.353 2.531 20 0 EFADHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013346192 957033568 /nfs/dbraw/zinc/03/35/68/957033568.db2.gz QZOLMMQDQNSBJJ-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL Cc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000389828028 972250391 /nfs/dbraw/zinc/25/03/91/972250391.db2.gz UDAYVNUTRLXDBJ-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000036340025 957232379 /nfs/dbraw/zinc/23/23/79/957232379.db2.gz ICYXCXHBCSLBJB-GFCCVEGCSA-N -2 3 340.228 2.915 20 0 EFADHL CCC[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000036807648 957236523 /nfs/dbraw/zinc/23/65/23/957236523.db2.gz VCBUSGCWDVETDX-LBPRGKRZSA-N -2 3 340.228 2.915 20 0 EFADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(F)cc1F ZINC000047383440 957455199 /nfs/dbraw/zinc/45/51/99/957455199.db2.gz WZWVTDCLHKZQHA-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL CON(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC001594038924 957843699 /nfs/dbraw/zinc/84/36/99/957843699.db2.gz ZUWADDLOULWYEB-ZDUSSCGKSA-N -2 3 343.379 2.654 20 0 EFADHL O=C([O-])[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000085325597 957893885 /nfs/dbraw/zinc/89/38/85/957893885.db2.gz BJRXCXHSWMNMCD-WPRPVWTQSA-N -2 3 338.212 2.525 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])cc1F ZINC001594311054 958020770 /nfs/dbraw/zinc/02/07/70/958020770.db2.gz WRWIAYNFUKHCMK-GFCCVEGCSA-N -2 3 349.399 2.831 20 0 EFADHL CCCCCC(C)(C)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000134725248 958860406 /nfs/dbraw/zinc/86/04/06/958860406.db2.gz XRLUWGOXDQHOAF-UHFFFAOYSA-N -2 3 334.463 2.726 20 0 EFADHL CSc1ccc([O-])c(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001594193347 959177570 /nfs/dbraw/zinc/17/75/70/959177570.db2.gz QQYNTMYJLGRFQF-GOSISDBHSA-N -2 3 345.420 2.886 20 0 EFADHL C[C@@H](CC(=O)[O-])NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001573575748 959326379 /nfs/dbraw/zinc/32/63/79/959326379.db2.gz YIEDQMLFXNIJRY-ZDUSSCGKSA-N -2 3 327.380 2.770 20 0 EFADHL CCc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000392193752 972425032 /nfs/dbraw/zinc/42/50/32/972425032.db2.gz WLQWNOASAAYFQE-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC001588634461 959637682 /nfs/dbraw/zinc/63/76/82/959637682.db2.gz QDGYDDQGEQFZHY-SNVBAGLBSA-N -2 3 330.178 2.840 20 0 EFADHL CCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCC1 ZINC001259225300 960694050 /nfs/dbraw/zinc/69/40/50/960694050.db2.gz KDCNYFFBDBNKEJ-UHFFFAOYSA-N -2 3 335.784 2.788 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])c(F)c1F ZINC001574382138 961110216 /nfs/dbraw/zinc/11/02/16/961110216.db2.gz FIOYOBJSAAVLLV-JTQLQIEISA-N -2 3 349.399 2.831 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C(C)C)C2)oc1C(=O)[O-] ZINC001571187671 962227204 /nfs/dbraw/zinc/22/72/04/962227204.db2.gz LEMOYDPQKFUMJB-VXGBXAGGSA-N -2 3 329.418 2.779 20 0 EFADHL CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001571187920 962231249 /nfs/dbraw/zinc/23/12/49/962231249.db2.gz RCCTYRVPADUHME-NWDGAFQWSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001571187923 962231639 /nfs/dbraw/zinc/23/16/39/962231639.db2.gz RCCTYRVPADUHME-VXGBXAGGSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)(C)CCC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000313234254 963628511 /nfs/dbraw/zinc/62/85/11/963628511.db2.gz XJCXNEZCQBTUSF-UHFFFAOYSA-N -2 3 335.372 2.768 20 0 EFADHL CC(C)[C@H]1CC[C@@H](C)C[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000316850129 964062634 /nfs/dbraw/zinc/06/26/34/964062634.db2.gz HJTGNZAENZXNLS-GMTAPVOTSA-N -2 3 346.474 2.580 20 0 EFADHL O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000324372174 968031435 /nfs/dbraw/zinc/03/14/35/968031435.db2.gz JSRFPXVPVKXCBZ-LBPRGKRZSA-N -2 3 328.368 2.657 20 0 EFADHL Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000318340979 970426817 /nfs/dbraw/zinc/42/68/17/970426817.db2.gz ZDGSKGSWIXYQPL-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@H]1CCCCC12CCCC2 ZINC000320692474 970699652 /nfs/dbraw/zinc/69/96/52/970699652.db2.gz NHLPNYXHJGKWRS-JTQLQIEISA-N -2 3 344.458 2.623 20 0 EFADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C[C@@H]1C ZINC000321323077 970761621 /nfs/dbraw/zinc/76/16/21/970761621.db2.gz OQKNOOUMZGBINS-UTLUCORTSA-N -2 3 347.383 2.766 20 0 EFADHL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(Oc2ccccc2)ccc1[O-] ZINC001605839489 972573426 /nfs/dbraw/zinc/57/34/26/972573426.db2.gz GBSUXQGVEWQCSL-HAQNSBGRSA-N -2 3 327.336 2.778 20 0 EFADHL O=C([O-])C1(C(=O)Nc2ccc(Br)cc2[O-])CC=CC1 ZINC001605937993 972883860 /nfs/dbraw/zinc/88/38/60/972883860.db2.gz QYAXLLZCTGCWQX-UHFFFAOYSA-N -2 3 326.146 2.514 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2CC(=O)[O-])sc1Cl ZINC000405217518 973788914 /nfs/dbraw/zinc/78/89/14/973788914.db2.gz OKJMCDPFCUGUKF-DTWKUNHWSA-N -2 3 337.850 2.632 20 0 EFADHL CCCCOc1ccc(C(=O)N2CCC[C@@H](CC(=O)[O-])C2)c([O-])c1 ZINC001603649466 974011665 /nfs/dbraw/zinc/01/16/65/974011665.db2.gz XVJHKXZEDBWTJG-ZDUSSCGKSA-N -2 3 335.400 2.898 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)C2(C(=O)[O-])CCCCCC2)c([O-])c1 ZINC001603814839 974292431 /nfs/dbraw/zinc/29/24/31/974292431.db2.gz QKIHTPXHDQGJRR-UHFFFAOYSA-N -2 3 349.383 2.933 20 0 EFADHL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[N-]O[C@@H]1CCCCO1 ZINC001591769743 975896113 /nfs/dbraw/zinc/89/61/13/975896113.db2.gz YNZLLSOUDBBVRJ-CQSZACIVSA-N -2 3 338.360 2.752 20 0 EFADHL O=C([O-])[C@H]1CCCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000700689064 976964188 /nfs/dbraw/zinc/96/41/88/976964188.db2.gz KIOPGGSCFAEGQM-GFCCVEGCSA-N -2 3 342.189 2.624 20 0 EFADHL O=C([O-])C1CCC(NC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC000700688255 976964246 /nfs/dbraw/zinc/96/42/46/976964246.db2.gz HRTVCLLUDZWKTQ-UHFFFAOYSA-N -2 3 342.189 2.528 20 0 EFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000718770519 977977016 /nfs/dbraw/zinc/97/70/16/977977016.db2.gz ORMKEYDDUCUQPV-SECBINFHSA-N -2 3 337.850 2.713 20 0 EFADHL CSc1ccsc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000738208572 978500827 /nfs/dbraw/zinc/50/08/27/978500827.db2.gz HPBWCPHAOVYWNT-UHFFFAOYSA-N -2 3 343.455 2.981 20 0 EFADHL C[C@@]1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCC[C@H]1C(=O)[O-] ZINC000833571034 979206369 /nfs/dbraw/zinc/20/63/69/979206369.db2.gz JTEPNZRKXVVAMH-LKFCYVNXSA-N -2 3 349.811 2.791 20 0 EFADHL CCC(CC)c1nnc([N-]C(=O)c2csc(C(=O)[O-])n2)s1 ZINC001595122237 979503282 /nfs/dbraw/zinc/50/32/82/979503282.db2.gz XRKLSLFCXGKTEH-UHFFFAOYSA-N -2 3 326.403 2.849 20 0 EFADHL O=C([O-])C1(CCCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCC1 ZINC000899955282 980235725 /nfs/dbraw/zinc/23/57/25/980235725.db2.gz VLFZMLWJFMRIIG-UHFFFAOYSA-N -2 3 347.383 2.668 20 0 EFADHL CC[C@@](NC(=O)c1ccc(C(C)=O)c([O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595269261 980284331 /nfs/dbraw/zinc/28/43/31/980284331.db2.gz WNNUYTUGQMFHIJ-IBGZPJMESA-N -2 3 341.363 2.715 20 0 EFADHL CC[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595450878 981104478 /nfs/dbraw/zinc/10/44/78/981104478.db2.gz DPWAXIJEGIIOGP-UWVGGRQHSA-N -2 3 347.383 2.768 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCCCC1 ZINC001595604534 981589159 /nfs/dbraw/zinc/58/91/59/981589159.db2.gz JVLWPYMYJCTKLZ-LLVKDONJSA-N -2 3 346.474 2.869 20 0 EFADHL CCCCC[C@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC001595675955 982144981 /nfs/dbraw/zinc/14/49/81/982144981.db2.gz FHZMICYRCYNSLK-LBPRGKRZSA-N -2 3 344.205 2.918 20 0 EFADHL CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000926535513 982901044 /nfs/dbraw/zinc/90/10/44/982901044.db2.gz BESPJKUVWIXAAV-UHFFFAOYSA-N -2 3 343.298 2.533 20 0 EFADHL CCO[C@H](CS(=O)(=O)[N-]c1c(C)sc(C)c1C(=O)[O-])C1CC1 ZINC001596791599 985276224 /nfs/dbraw/zinc/27/62/24/985276224.db2.gz IDJQEFRFMXRWLK-LLVKDONJSA-N -2 3 347.458 2.620 20 0 EFADHL Cc1n[n-]cc1C(=O)O[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001599969405 985978080 /nfs/dbraw/zinc/97/80/80/985978080.db2.gz UYNWSOAWESKTSO-GFCCVEGCSA-N -2 3 342.273 2.590 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)cc1[O-] ZINC001589275406 985982463 /nfs/dbraw/zinc/98/24/63/985982463.db2.gz BIFSGCPAEHUYAE-MRXNPFEDSA-N -2 3 345.326 2.598 20 0 EFADHL C[C@H](C(=O)[O-])c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC001589520644 987162347 /nfs/dbraw/zinc/16/23/47/987162347.db2.gz ADJYBZNYRDDYCD-QMMMGPOBSA-N -2 3 328.303 2.537 20 0 EFADHL CC(C)(C)C1CC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC001589725932 987903761 /nfs/dbraw/zinc/90/37/61/987903761.db2.gz CBHJZCXEXMFWQL-UHFFFAOYSA-N -2 3 347.383 2.766 20 0 EFADHL CCc1ccc(C(=O)N2CCC(c3cc(C(=O)[O-])on3)CC2)c([O-])c1 ZINC001597499042 988050890 /nfs/dbraw/zinc/05/08/90/988050890.db2.gz WEOBKQHJWNHSIV-UHFFFAOYSA-N -2 3 344.367 2.661 20 0 EFADHL CCc1ccc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)[O-])c([O-])c1 ZINC001597499971 988051995 /nfs/dbraw/zinc/05/19/95/988051995.db2.gz AXZSWVLJKLEZHX-KRWDZBQOSA-N -2 3 341.363 2.615 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2CC[C@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001597556207 988286885 /nfs/dbraw/zinc/28/68/85/988286885.db2.gz JPZUMYFESWBONR-NSHDSACASA-N -2 3 346.408 2.739 20 0 EFADHL CSc1ccc(NC(=O)c2cccc3n[n-]nc32)cc1C(=O)[O-] ZINC001599817892 988458680 /nfs/dbraw/zinc/45/86/80/988458680.db2.gz UIQXISHFCGZXPW-UHFFFAOYSA-N -2 3 328.353 2.630 20 0 EFADHL CCc1nc([N-]C(=O)c2cc(-c3ccccn3)no2)sc1C(=O)[O-] ZINC001597681925 988817543 /nfs/dbraw/zinc/81/75/43/988817543.db2.gz KYLBAQINLVQLAP-UHFFFAOYSA-N -2 3 344.352 2.706 20 0 EFADHL C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001599881075 989484839 /nfs/dbraw/zinc/48/48/39/989484839.db2.gz PUNFWNGLBCWNBN-HZLHGAJGSA-N -2 3 347.795 2.500 20 0 EFADHL CC(C)(CF)[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001590701977 990420300 /nfs/dbraw/zinc/42/03/00/990420300.db2.gz XNOVNXULCVGIBO-UHFFFAOYSA-N -2 3 344.191 2.718 20 0 EFADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC1 ZINC001591032855 991342606 /nfs/dbraw/zinc/34/26/06/991342606.db2.gz CSRMKCDZAKCWKZ-ZDUSSCGKSA-N -2 3 349.811 2.890 20 0 EFADHL COc1ccccc1CO[N-]C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC001599712989 991403251 /nfs/dbraw/zinc/40/32/51/991403251.db2.gz SEOCTYMYPRTBKG-UHFFFAOYSA-N -2 3 329.352 2.574 20 0 EFADHL CC(C)CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001591229101 992109042 /nfs/dbraw/zinc/10/90/42/992109042.db2.gz UXUNRZDVGKJCTD-WCQYABFASA-N -2 3 329.418 2.861 20 0 EFADHL CN(Cc1nnc(-c2ccccc2[O-])o1)Cc1ccc(C(=O)[O-])cc1 ZINC001598513970 992597989 /nfs/dbraw/zinc/59/79/89/992597989.db2.gz NGAMUCWNELXTMM-UHFFFAOYSA-N -2 3 339.351 2.772 20 0 EFADHL C[C@H](c1c(F)cccc1F)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593685789 996118943 /nfs/dbraw/zinc/11/89/43/996118943.db2.gz CDDDTGHMVMXSMT-NFNPTBNRSA-N -2 3 339.338 2.523 20 0 EFADHL C[C@@]1(C(=O)[O-])CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001593797785 996516862 /nfs/dbraw/zinc/51/68/62/996516862.db2.gz DIELOTKODMWODH-QGZVFWFLSA-N -2 3 346.408 2.805 20 0 EFADHL CC1(C)C[C@@]1(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001593866289 996673422 /nfs/dbraw/zinc/67/34/22/996673422.db2.gz ZYHTUOQVTRZZES-QGZVFWFLSA-N -2 3 349.408 2.624 20 0 EFADHL COc1ccc(C(=O)[O-])c2c1CN(Cc1ccc([O-])c(F)c1)CC2 ZINC001599500835 997115598 /nfs/dbraw/zinc/11/55/98/997115598.db2.gz BNEYEHNVTNYPEC-UHFFFAOYSA-N -2 3 331.343 2.796 20 0 EFADHL COC(=O)c1cnc(SCc2cc(C(=O)[O-])ccc2Cl)[n-]1 ZINC001598917639 997503492 /nfs/dbraw/zinc/50/34/92/997503492.db2.gz SRTIIEDIHKOGNU-UHFFFAOYSA-N -2 3 326.761 2.840 20 0 EFADHL COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C1(C(=O)[O-])CCC1 ZINC001599580576 998522849 /nfs/dbraw/zinc/52/28/49/998522849.db2.gz ZMIZVWINFFOCIC-UHFFFAOYSA-N -2 3 333.718 2.564 20 0 EFADHL C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001594160145 998596023 /nfs/dbraw/zinc/59/60/23/998596023.db2.gz YFLJZCCHDCYMLK-CJNGLKHVSA-N -2 3 339.391 2.918 20 0 EFADHL CC(C)[C@@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573981796 1087920490 /nfs/dbraw/zinc/92/04/90/1087920490.db2.gz HYBOFLDHADJVFL-MRXNPFEDSA-N -2 3 337.383 2.717 20 0 EFADHL CC(C)[C@@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573981796 1087920508 /nfs/dbraw/zinc/92/05/08/1087920508.db2.gz HYBOFLDHADJVFL-MRXNPFEDSA-N -2 3 337.383 2.717 20 0 EFADHL O=C(Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1cccc(F)c1[O-] ZINC001582636577 1091593413 /nfs/dbraw/zinc/59/34/13/1091593413.db2.gz IOPPSECOPNCTPV-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1ccc(-c2nn[n-]n2)c(Cl)c1)c1cccc(F)c1[O-] ZINC001582636577 1091593422 /nfs/dbraw/zinc/59/34/22/1091593422.db2.gz IOPPSECOPNCTPV-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL CC(=Cc1sccc1Cl)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588773100 1092990818 /nfs/dbraw/zinc/99/08/18/1092990818.db2.gz SVVKAADFAGQVFG-WAYWQWQTSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1sccc1Cl)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588773100 1092990827 /nfs/dbraw/zinc/99/08/27/1092990827.db2.gz SVVKAADFAGQVFG-WAYWQWQTSA-N -2 3 334.792 2.946 20 0 EFADHL CC(C)[C@H](CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)C(=O)[O-] ZINC001589456717 1093083858 /nfs/dbraw/zinc/08/38/58/1093083858.db2.gz LGOBRRUIHCCOPW-VIFPVBQESA-N -2 3 343.309 2.654 20 0 EFADHL C[C@H](Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1)C(=O)[O-] ZINC001589896493 1093170459 /nfs/dbraw/zinc/17/04/59/1093170459.db2.gz GRCAXOCRTRXQQA-SNVBAGLBSA-N -2 3 343.412 2.804 20 0 EFADHL C[C@H](Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1)C(=O)[O-] ZINC001589896493 1093170464 /nfs/dbraw/zinc/17/04/64/1093170464.db2.gz GRCAXOCRTRXQQA-SNVBAGLBSA-N -2 3 343.412 2.804 20 0 EFADHL CCCc1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001590659345 1093533741 /nfs/dbraw/zinc/53/37/41/1093533741.db2.gz GOCBUIQTKDXAQH-UHFFFAOYSA-N -2 3 343.412 2.620 20 0 EFADHL CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc([O-])c(Cl)c1 ZINC001591128137 1093664464 /nfs/dbraw/zinc/66/44/64/1093664464.db2.gz MKVIKOVVQRVWQO-UHFFFAOYSA-N -2 3 349.803 2.559 20 0 EFADHL CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc([O-])c(Cl)c1 ZINC001591128137 1093664468 /nfs/dbraw/zinc/66/44/68/1093664468.db2.gz MKVIKOVVQRVWQO-UHFFFAOYSA-N -2 3 349.803 2.559 20 0 EFADHL COc1ccc(-c2cc(C(=O)[O-])n(C(C)C)c2)c(-c2nnn[n-]2)c1 ZINC001591556290 1093769176 /nfs/dbraw/zinc/76/91/76/1093769176.db2.gz XBANVFMRISBIOC-UHFFFAOYSA-N -2 3 327.344 2.623 20 0 EFADHL COc1ccc(-c2cc(C(=O)[O-])n(C(C)C)c2)c(-c2nn[n-]n2)c1 ZINC001591556290 1093769182 /nfs/dbraw/zinc/76/91/82/1093769182.db2.gz XBANVFMRISBIOC-UHFFFAOYSA-N -2 3 327.344 2.623 20 0 EFADHL COc1ccc(-c2nc(C(=O)[O-])c(C3CC3)s2)c(-c2nnn[n-]2)c1 ZINC001591556564 1093769943 /nfs/dbraw/zinc/76/99/43/1093769943.db2.gz GYXONSIAEBFCGC-UHFFFAOYSA-N -2 3 343.368 2.574 20 0 EFADHL COc1ccc(-c2nc(C(=O)[O-])c(C3CC3)s2)c(-c2nn[n-]n2)c1 ZINC001591556564 1093769948 /nfs/dbraw/zinc/76/99/48/1093769948.db2.gz GYXONSIAEBFCGC-UHFFFAOYSA-N -2 3 343.368 2.574 20 0 EFADHL Cc1cc(F)ccc1C=Cc1nc(C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001591992730 1093950562 /nfs/dbraw/zinc/95/05/62/1093950562.db2.gz VAZCMOUZSVJTOA-UTCJRWHESA-N -2 3 325.303 2.578 20 0 EFADHL Cc1cc(F)ccc1C=Cc1nc(C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001591992730 1093950565 /nfs/dbraw/zinc/95/05/65/1093950565.db2.gz VAZCMOUZSVJTOA-UTCJRWHESA-N -2 3 325.303 2.578 20 0 EFADHL Cc1cc(NC(=O)c2cccc(Cl)c2[O-])cc(-c2nnn[n-]2)c1 ZINC001592032203 1093962747 /nfs/dbraw/zinc/96/27/47/1093962747.db2.gz UROWLRAAXROJHN-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL Cc1cc(NC(=O)c2cccc(Cl)c2[O-])cc(-c2nn[n-]n2)c1 ZINC001592032203 1093962748 /nfs/dbraw/zinc/96/27/48/1093962748.db2.gz UROWLRAAXROJHN-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)C1(Cc2ccccc2)CCC1 ZINC001593171013 1094231957 /nfs/dbraw/zinc/23/19/57/1094231957.db2.gz QBKGCVJQNBOBJN-UHFFFAOYSA-N -2 3 349.394 2.690 20 0 EFADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C1(Cc2ccccc2)CCC1 ZINC001593171013 1094231967 /nfs/dbraw/zinc/23/19/67/1094231967.db2.gz QBKGCVJQNBOBJN-UHFFFAOYSA-N -2 3 349.394 2.690 20 0 EFADHL O=C([O-])CC[C@H]1CCCN(c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC001593278217 1094261042 /nfs/dbraw/zinc/26/10/42/1094261042.db2.gz VKXIWDYXFITTLZ-SNVBAGLBSA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CC[C@H]1CCCN(c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC001593278217 1094261045 /nfs/dbraw/zinc/26/10/45/1094261045.db2.gz VKXIWDYXFITTLZ-SNVBAGLBSA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CCCc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1 ZINC001593278066 1094261860 /nfs/dbraw/zinc/26/18/60/1094261860.db2.gz OWXUQJJQYKZIMO-UHFFFAOYSA-N -2 3 343.412 2.948 20 0 EFADHL O=C([O-])CCCc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1 ZINC001593278066 1094261865 /nfs/dbraw/zinc/26/18/65/1094261865.db2.gz OWXUQJJQYKZIMO-UHFFFAOYSA-N -2 3 343.412 2.948 20 0 EFADHL O=S(=O)(CCCCF)[N-]c1cc2ccccc2cc1-c1nn[n-]n1 ZINC001593418826 1094309782 /nfs/dbraw/zinc/30/97/82/1094309782.db2.gz PXCDLBWGOCWECC-UHFFFAOYSA-N -2 3 349.391 2.511 20 0 EFADHL Cc1cc(=O)[n-]c(C(C)(C)NCc2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC001600064606 1094748387 /nfs/dbraw/zinc/74/83/87/1094748387.db2.gz VYTXPHSNCQDNNB-UHFFFAOYSA-N -2 3 335.791 2.867 20 0 EFADHL Cc1cc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)oc1C(=O)[O-] ZINC001600210027 1094887169 /nfs/dbraw/zinc/88/71/69/1094887169.db2.gz FNPWSIYASSRXKU-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)n1 ZINC001600285711 1094945498 /nfs/dbraw/zinc/94/54/98/1094945498.db2.gz CPRVKVGMBIFGSA-MNOVXSKESA-N -2 3 348.428 2.586 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2oc3ccccc3c2C)oc1C(=O)[O-] ZINC001600300229 1094952486 /nfs/dbraw/zinc/95/24/86/1094952486.db2.gz DEQRLFHUAZUSPQ-UHFFFAOYSA-N -2 3 349.364 2.819 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC2(C)CCCCCC2)oc1C(=O)[O-] ZINC001600299637 1094952730 /nfs/dbraw/zinc/95/27/30/1094952730.db2.gz PXQOMUOZOWKDFY-UHFFFAOYSA-N -2 3 329.418 2.925 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCC(C)(C)C2)oc1C(=O)[O-] ZINC001600299249 1094953523 /nfs/dbraw/zinc/95/35/23/1094953523.db2.gz SQTRNWWOLAGGPY-NSHDSACASA-N -2 3 329.418 2.781 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2C(C)(C)C)oc1C(=O)[O-] ZINC001600299342 1094953732 /nfs/dbraw/zinc/95/37/32/1094953732.db2.gz WZMFHSSEJCBQKG-QWRGUYRKSA-N -2 3 329.418 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)oc1C(=O)[O-] ZINC001600300153 1094953759 /nfs/dbraw/zinc/95/37/59/1094953759.db2.gz CZTXUWGYVKVIBB-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL Cc1ccc(-c2cc(C(=O)O[C@H]3C[C@H]4C[C@H](C(=O)[O-])C[C@H]43)n[n-]2)o1 ZINC001600312551 1094962994 /nfs/dbraw/zinc/96/29/94/1094962994.db2.gz GDJVSTYVZWEXIQ-RSQPEXBXSA-N -2 3 330.340 2.634 20 0 EFADHL Cc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001600371598 1095009908 /nfs/dbraw/zinc/00/99/08/1095009908.db2.gz JKSPUAJTJOEWOI-OAHLLOKOSA-N -2 3 331.343 2.714 20 0 EFADHL Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2occc2C(=O)[O-])c(C)c1 ZINC001600402682 1095038799 /nfs/dbraw/zinc/03/87/99/1095038799.db2.gz RINBSXKCZZSGEI-LBPRGKRZSA-N -2 3 337.397 2.504 20 0 EFADHL Cc1ccc(NC(=O)c2nnc3ccccc3c2[O-])c(C(=O)[O-])c1C ZINC001600458417 1095082066 /nfs/dbraw/zinc/08/20/66/1095082066.db2.gz UITFCODXCZLUDV-UHFFFAOYSA-N -2 3 337.335 2.903 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ncc(C(=O)[O-])cc2Cl)c(C)c1 ZINC001600483765 1095099783 /nfs/dbraw/zinc/09/97/83/1095099783.db2.gz QDTKHVFJXPENBN-UHFFFAOYSA-N -2 3 340.788 2.851 20 0 EFADHL Cc1cccc(C[C@@H](CNC(=O)c2c(C)cccc2[O-])C(=O)[O-])c1 ZINC001600527151 1095136328 /nfs/dbraw/zinc/13/63/28/1095136328.db2.gz DSYNYKTZVNIMCG-HNNXBMFYSA-N -2 3 327.380 2.682 20 0 EFADHL Cc1cccc([O-])c1C(=O)N[C@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001600542571 1095148399 /nfs/dbraw/zinc/14/83/99/1095148399.db2.gz JLEWAACFOJKHTI-JKGQDXBKSA-N -2 3 335.425 2.559 20 0 EFADHL Cc1cccc([O-])c1C(=O)NCc1ccc(OCCCC(=O)[O-])cc1 ZINC001600542781 1095148648 /nfs/dbraw/zinc/14/86/48/1095148648.db2.gz OBBJZQMFLIZTCA-UHFFFAOYSA-N -2 3 343.379 2.874 20 0 EFADHL Cc1oc2ccccc2c1CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001600860342 1095386859 /nfs/dbraw/zinc/38/68/59/1095386859.db2.gz QBSUCWBNSDABPQ-UHFFFAOYSA-N -2 3 349.364 2.553 20 0 EFADHL Cc1sc(NC(=O)c2cc3c(cc2[O-])OCO3)c(C(=O)[O-])c1C ZINC001600886697 1095406495 /nfs/dbraw/zinc/40/64/95/1095406495.db2.gz JGQHZQWBOMSXHY-UHFFFAOYSA-N -2 3 335.337 2.750 20 0 EFADHL O=C([O-])[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC001601393020 1095651540 /nfs/dbraw/zinc/65/15/40/1095651540.db2.gz FFEFOTMARZMIKT-SFHVURJKSA-N -2 3 339.391 2.770 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)ccc1Cl ZINC001601603227 1095755722 /nfs/dbraw/zinc/75/57/22/1095755722.db2.gz QWAYVVFOSRADKQ-UHFFFAOYSA-N -2 3 333.731 2.664 20 0 EFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)C1CCCCC1 ZINC001601652551 1095785817 /nfs/dbraw/zinc/78/58/17/1095785817.db2.gz WKCMZWVIRGIKRT-LBPRGKRZSA-N -2 3 347.383 2.524 20 0 EFADHL O=C([O-])C1(CS(=O)(=O)[N-]c2cc(Cl)ccc2F)CCCC1 ZINC001601716445 1095861085 /nfs/dbraw/zinc/86/10/85/1095861085.db2.gz VOKQBZWHFMUHSP-UHFFFAOYSA-N -2 3 335.784 2.866 20 0 EFADHL O=C([O-])Cc1csc([N-]C(=O)c2oc(C3CC3)nc2C(F)F)n1 ZINC001602154016 1096094325 /nfs/dbraw/zinc/09/43/25/1096094325.db2.gz DTAHSKQVPYLYKW-UHFFFAOYSA-N -2 3 343.311 2.826 20 0 EFADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC001602213113 1096119689 /nfs/dbraw/zinc/11/96/89/1096119689.db2.gz INIMDSWJNMMXIK-KYZUINATSA-N -2 3 342.189 2.984 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2cccc3n[n-]nc32)cc(Cl)c1F ZINC001602284760 1096160608 /nfs/dbraw/zinc/16/06/08/1096160608.db2.gz FONLSDZZGJJWQS-UHFFFAOYSA-N -2 3 334.694 2.701 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC23CC3)c(F)cc1Cl ZINC001602295147 1096164281 /nfs/dbraw/zinc/16/42/81/1096164281.db2.gz YTNPYYMKXLEVIK-GFCCVEGCSA-N -2 3 347.795 2.788 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC[C@@H]2C[C@H]2Cc2ccccc2)o1 ZINC001602398824 1096222562 /nfs/dbraw/zinc/22/25/62/1096222562.db2.gz KLUPOKQYRHORLF-ZIAGYGMSSA-N -2 3 349.408 2.525 20 0 EFADHL O=C([O-])c1cccc(OCCOC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC001602448374 1096249581 /nfs/dbraw/zinc/24/95/81/1096249581.db2.gz OKVSRULVWZDJMM-UHFFFAOYSA-N -2 3 342.307 2.604 20 0 EFADHL O=C([O-])c1cccc(OCCOC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC001602448374 1096249586 /nfs/dbraw/zinc/24/95/86/1096249586.db2.gz OKVSRULVWZDJMM-UHFFFAOYSA-N -2 3 342.307 2.604 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCCc1cccc(Cl)c1 ZINC001602488908 1096270136 /nfs/dbraw/zinc/27/01/36/1096270136.db2.gz OCRUZIUVEPFSCF-UHFFFAOYSA-N -2 3 343.788 2.542 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCc1ccc2ccccc2c1 ZINC001602487612 1096270644 /nfs/dbraw/zinc/27/06/44/1096270644.db2.gz DGCPESLMVKGKRT-UHFFFAOYSA-N -2 3 345.376 2.652 20 0 EFADHL O=C([O-])c1ccncc1[N-]S(=O)(=O)Cc1cc(Cl)ccc1F ZINC001602486824 1096270806 /nfs/dbraw/zinc/27/08/06/1096270806.db2.gz RJWQCEGPCIZJNC-UHFFFAOYSA-N -2 3 344.751 2.514 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCc3ccc(Cl)cc32)c1 ZINC001602555850 1096296885 /nfs/dbraw/zinc/29/68/85/1096296885.db2.gz AJBNKWZBMITPPI-LBPRGKRZSA-N -2 3 341.772 2.597 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H](CF)c2ccc(F)cc2)c1 ZINC001602562981 1096300904 /nfs/dbraw/zinc/30/09/04/1096300904.db2.gz GUVRLULSVVKMER-NSHDSACASA-N -2 3 347.364 2.575 20 0 EFADHL O=C([O-])c1ccc(Cl)c(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1 ZINC001602655853 1096339825 /nfs/dbraw/zinc/33/98/25/1096339825.db2.gz ISFWSOKOTFZYRU-MDWZMJQESA-N -2 3 327.723 2.849 20 0 EFADHL CC(=CC1=Cc2ccccc2OC1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602902464 1096396379 /nfs/dbraw/zinc/39/63/79/1096396379.db2.gz ZPBDOIIJQGQJEV-YFHOEESVSA-N -2 3 348.366 2.550 20 0 EFADHL CC(=CC1=Cc2ccccc2OC1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602902464 1096396386 /nfs/dbraw/zinc/39/63/86/1096396386.db2.gz ZPBDOIIJQGQJEV-YFHOEESVSA-N -2 3 348.366 2.550 20 0 EFADHL C[C@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001603187594 1096469072 /nfs/dbraw/zinc/46/90/72/1096469072.db2.gz LHIUZLFRXVGCPJ-GTNSWQLSSA-N -2 3 331.343 2.652 20 0 EFADHL CC(C)Oc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001603374281 1096516564 /nfs/dbraw/zinc/51/65/64/1096516564.db2.gz KLGZYHMAVQEWNY-UHFFFAOYSA-N -2 3 339.355 2.612 20 0 EFADHL C[C@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603684032 1096590379 /nfs/dbraw/zinc/59/03/79/1096590379.db2.gz SGQSCTJBALFFNZ-LPEHRKFASA-N -2 3 333.367 2.553 20 0 EFADHL C[C@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603684032 1096590384 /nfs/dbraw/zinc/59/03/84/1096590384.db2.gz SGQSCTJBALFFNZ-LPEHRKFASA-N -2 3 333.367 2.553 20 0 EFADHL C[C@@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1nc(C(F)(F)F)n[n-]1 ZINC001604364319 1096830242 /nfs/dbraw/zinc/83/02/42/1096830242.db2.gz LOKBNKDUTTYAJS-UWTATZPHSA-N -2 3 341.702 2.805 20 0 EFADHL C[C@H](OC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccc(C(=O)[O-])o1 ZINC001604418731 1096847942 /nfs/dbraw/zinc/84/79/42/1096847942.db2.gz JAVIBWIBXARJCN-JTQLQIEISA-N -2 3 342.307 2.787 20 0 EFADHL CN(C(=O)c1ccc(Cl)cc1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001604657825 1096925606 /nfs/dbraw/zinc/92/56/06/1096925606.db2.gz FFWYSZQPFUBVGU-UHFFFAOYSA-N -2 3 329.747 2.502 20 0 EFADHL CC[C@@](CNC(=O)c1c(C)cccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001605035764 1097007482 /nfs/dbraw/zinc/00/74/82/1097007482.db2.gz QEYYCGWXZWXJAH-IBGZPJMESA-N -2 3 327.380 2.863 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)/C=C/c2cc(C(=O)[O-])co2)c([O-])c1 ZINC001605570862 1097161281 /nfs/dbraw/zinc/16/12/81/1097161281.db2.gz JHLXJIXGLPPLDR-GQCTYLIASA-N -2 3 345.307 2.512 20 0 EFADHL CCO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1)C1CC1 ZINC001605594052 1097166041 /nfs/dbraw/zinc/16/60/41/1097166041.db2.gz VHFOGLUFYXAYKN-ZDUSSCGKSA-N -2 3 347.820 2.595 20 0 EFADHL CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc(=O)[n-]c(C2CC2)n1 ZINC001605794525 1097228532 /nfs/dbraw/zinc/22/85/32/1097228532.db2.gz YJDKVONMIQHWTE-UHFFFAOYSA-N -2 3 327.340 2.573 20 0 EFADHL CCc1ccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001605805159 1097232628 /nfs/dbraw/zinc/23/26/28/1097232628.db2.gz RSPBXFHTVYOICX-MRXNPFEDSA-N -2 3 325.364 2.779 20 0 EFADHL CCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2O)c([O-])c1 ZINC001605806738 1097233922 /nfs/dbraw/zinc/23/39/22/1097233922.db2.gz ZPPGPVOHAHXVQE-UHFFFAOYSA-N -2 3 331.324 2.619 20 0 EFADHL CN(Cc1ccc(C(=O)[O-])s1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001606162556 1097332541 /nfs/dbraw/zinc/33/25/41/1097332541.db2.gz AYJWAXLVUIHCNE-UHFFFAOYSA-N -2 3 335.381 2.542 20 0 EFADHL O=P([O-])([O-])C1(Nc2c[nH]cc3ccnc2-3)Cc2ccccc2C1 ZINC001167935898 1097348363 /nfs/dbraw/zinc/34/83/63/1097348363.db2.gz FHTZNINICISWBT-UHFFFAOYSA-N -2 3 329.296 2.648 20 0 EFADHL COC(=O)c1ccc(C(=O)Nc2ccc3sc(C(=O)[O-])cc3c2)[n-]1 ZINC001606577138 1097421972 /nfs/dbraw/zinc/42/19/72/1097421972.db2.gz HFDWXCLVRKXPAM-UHFFFAOYSA-N -2 3 344.348 2.967 20 0 EFADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(-c2nnn[n-]2)cs1 ZINC001606905588 1097470170 /nfs/dbraw/zinc/47/01/70/1097470170.db2.gz XTIUGRQNVDMGMT-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cc(-c2nn[n-]n2)cs1 ZINC001606905588 1097470174 /nfs/dbraw/zinc/47/01/74/1097470174.db2.gz XTIUGRQNVDMGMT-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cc3ccccc3o2)n1 ZINC001606962482 1097481506 /nfs/dbraw/zinc/48/15/06/1097481506.db2.gz YVYSPNJVKKGHCU-FNORWQNLSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cc3ccccc3o2)n1 ZINC001606962482 1097481509 /nfs/dbraw/zinc/48/15/09/1097481509.db2.gz YVYSPNJVKKGHCU-FNORWQNLSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])CCCCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001606958644 1097481715 /nfs/dbraw/zinc/48/17/15/1097481715.db2.gz ZPDMEQXCNKOCGU-UHFFFAOYSA-N -2 3 343.309 2.942 20 0 EFADHL O=C([O-])CCCCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001606958644 1097481718 /nfs/dbraw/zinc/48/17/18/1097481718.db2.gz ZPDMEQXCNKOCGU-UHFFFAOYSA-N -2 3 343.309 2.942 20 0 EFADHL COc1ccc([C@@H](NC(=O)c2cc([O-])ccc2Cl)C(=O)[O-])cc1 ZINC001607228469 1097566372 /nfs/dbraw/zinc/56/63/72/1097566372.db2.gz VJOMGZLKCJSLBV-CQSZACIVSA-N -2 3 335.743 2.610 20 0 EFADHL COc1ccc([C@H](NCc2nc(C)ccc2[O-])C(=O)[O-])cc1Cl ZINC001607233901 1097568487 /nfs/dbraw/zinc/56/84/87/1097568487.db2.gz BJDNUQHLIMVMHW-HNNXBMFYSA-N -2 3 336.775 2.673 20 0 EFADHL COc1cccc(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1[O-] ZINC001607305360 1097591786 /nfs/dbraw/zinc/59/17/86/1097591786.db2.gz OOKBTUDBKDWXFH-UHFFFAOYSA-N -2 3 326.308 2.833 20 0 EFADHL COc1cccc(-c2noc([N-]Cc3cc(C(=O)[O-])c(C)o3)n2)c1 ZINC001607304200 1097591813 /nfs/dbraw/zinc/59/18/13/1097591813.db2.gz QNPIUDKIUNLQKI-UHFFFAOYSA-N -2 3 329.312 2.957 20 0 EFADHL COc1cccc2c(C(=O)OCCc3ccccc3C(=O)[O-])n[n-]c21 ZINC001607333760 1097604350 /nfs/dbraw/zinc/60/43/50/1097604350.db2.gz OCECPQUYLHFHFB-UHFFFAOYSA-N -2 3 340.335 2.669 20 0 EFADHL COc1cccc2c(C(=O)OCCc3ccccc3C(=O)[O-])[n-]nc21 ZINC001607333760 1097604355 /nfs/dbraw/zinc/60/43/55/1097604355.db2.gz OCECPQUYLHFHFB-UHFFFAOYSA-N -2 3 340.335 2.669 20 0 EFADHL COc1cccc2c(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)n[n-]c21 ZINC001607333481 1097604477 /nfs/dbraw/zinc/60/44/77/1097604477.db2.gz HMIARDXYQHINLO-OAHLLOKOSA-N -2 3 326.308 2.554 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1cccc(Cl)c1 ZINC001607422700 1097626234 /nfs/dbraw/zinc/62/62/34/1097626234.db2.gz UDLHFVNKWLLMNS-SSDOTTSWSA-N -2 3 346.817 2.534 20 0 EFADHL Cc1cc([C@H](C)Sc2nc3c(cnn3C)c(=O)[n-]2)oc1C(=O)[O-] ZINC001607610005 1097674954 /nfs/dbraw/zinc/67/49/54/1097674954.db2.gz AYHYGMOZPLJSQX-ZETCQYMHSA-N -2 3 334.357 2.522 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)oc1C(=O)[O-] ZINC001607706480 1097703967 /nfs/dbraw/zinc/70/39/67/1097703967.db2.gz URPAWDZDGBPQRH-GRYCIOLGSA-N -2 3 327.402 2.533 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@]2(C)CCCC[C@@H]2C(=O)[O-])c(F)cc1F ZINC001607706623 1097705428 /nfs/dbraw/zinc/70/54/28/1097705428.db2.gz XWNNWWKISVVHHO-MEBBXXQBSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)C2CCCCCC2)oc1C(=O)[O-] ZINC001607708202 1097705493 /nfs/dbraw/zinc/70/54/93/1097705493.db2.gz FCNLCVNXEKPACS-LLVKDONJSA-N -2 3 329.418 2.923 20 0 EFADHL Cc1ccc(C[C@@H](SCCC[N-]C(=O)C(F)(F)F)C(=O)[O-])cc1 ZINC001607775417 1097728783 /nfs/dbraw/zinc/72/87/83/1097728783.db2.gz GCXDABDXVSEHPB-GFCCVEGCSA-N -2 3 349.374 2.793 20 0 EFADHL Cc1ccc(Cc2nnc([N-]C(=O)c3cc(C(=O)[O-])co3)s2)cc1 ZINC001607785635 1097732586 /nfs/dbraw/zinc/73/25/86/1097732586.db2.gz LQIPDVPTBPSCQH-UHFFFAOYSA-N -2 3 343.364 2.981 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc3ccccc32)o1 ZINC001607818077 1097742962 /nfs/dbraw/zinc/74/29/62/1097742962.db2.gz HJXGVHDMXKTTQN-INIZCTEOSA-N -2 3 345.376 2.845 20 0 EFADHL Cc1cccc([O-])c1C(=O)N1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001607858106 1097756101 /nfs/dbraw/zinc/75/61/01/1097756101.db2.gz GYXQHZPAGGEHAG-NSHDSACASA-N -2 3 346.408 2.875 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1C(=O)[O-] ZINC001607862853 1097758366 /nfs/dbraw/zinc/75/83/66/1097758366.db2.gz CUHUKFZVOVREAP-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL O=C([O-])[C@H](CC1CC1)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001608391924 1097910198 /nfs/dbraw/zinc/91/01/98/1097910198.db2.gz AHXUCJZDXQZUDL-KRWDZBQOSA-N -2 3 339.391 2.966 20 0 EFADHL O=C([O-])C1(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCC1 ZINC001608404169 1097912904 /nfs/dbraw/zinc/91/29/04/1097912904.db2.gz XRGZKOVSZFZSHS-UHFFFAOYSA-N -2 3 325.364 2.720 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2nnc3ccccc3c2[O-])cc2[nH]ccc21 ZINC001608499020 1097932671 /nfs/dbraw/zinc/93/26/71/1097932671.db2.gz KKHOHCACPHVHBM-UHFFFAOYSA-N -2 3 348.318 2.767 20 0 EFADHL O=C([O-])C[C@@H]1CSCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001608703755 1097994261 /nfs/dbraw/zinc/99/42/61/1097994261.db2.gz NNPRPCABYNUQNA-SNVBAGLBSA-N -2 3 337.422 2.639 20 0 EFADHL O=C([O-])CC[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001608706444 1097995392 /nfs/dbraw/zinc/99/53/92/1097995392.db2.gz ABXGWERNLBZAJO-HNNXBMFYSA-N -2 3 331.343 2.796 20 0 EFADHL O=C([O-])CCc1csc(NC(=O)c2cc([O-])ccc2Cl)n1 ZINC001608741066 1098007300 /nfs/dbraw/zinc/00/73/00/1098007300.db2.gz FIMONISALOKCRL-UHFFFAOYSA-N -2 3 326.761 2.772 20 0 EFADHL O=C([O-])c1cc(-c2csc([N-]C(=O)c3cc(Cl)no3)n2)c[nH]1 ZINC001608832903 1098037649 /nfs/dbraw/zinc/03/76/49/1098037649.db2.gz LSYXQFGLTCXKQF-UHFFFAOYSA-N -2 3 338.732 2.730 20 0 EFADHL O=C([O-])c1cc(Cl)cc(NC(=O)c2[n-]cnc2C(F)(F)F)c1O ZINC001608846056 1098043373 /nfs/dbraw/zinc/04/33/73/1098043373.db2.gz GQDCFNFBMWAYPC-UHFFFAOYSA-N -2 3 349.652 2.738 20 0 EFADHL O=C([O-])c1cc(Cl)cc(NC(=O)c2nc[n-]c2C(F)(F)F)c1O ZINC001608846056 1098043376 /nfs/dbraw/zinc/04/33/76/1098043376.db2.gz GQDCFNFBMWAYPC-UHFFFAOYSA-N -2 3 349.652 2.738 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCC[C@@H]32)c(F)cc1Cl ZINC001608860521 1098047929 /nfs/dbraw/zinc/04/79/29/1098047929.db2.gz OZEDFXVIVZLYOX-RGNHYFCHSA-N -2 3 347.795 2.644 20 0 EFADHL O=C([O-])c1cccc(C(=O)COC(=O)c2cc3ccsc3[n-]2)c1 ZINC001608928000 1098077168 /nfs/dbraw/zinc/07/71/68/1098077168.db2.gz NYZPLKMSPLQYLP-UHFFFAOYSA-N -2 3 329.333 2.967 20 0 EFADHL O=C([O-])c1coc(C[N-]c2nnc([C@H]3Cc4ccccc4O3)o2)c1 ZINC001608989745 1098100989 /nfs/dbraw/zinc/10/09/89/1098100989.db2.gz GXTUKNYILZDLOC-CYBMUJFWSA-N -2 3 327.296 2.649 20 0 EFADHL CC(=Cc1cc(C)ccc1F)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060463 1098125982 /nfs/dbraw/zinc/12/59/82/1098125982.db2.gz MGIOVQMKKWKKJK-VQHVLOKHSA-N -2 3 326.335 2.679 20 0 EFADHL CC(=Cc1cc(C)ccc1F)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060463 1098125989 /nfs/dbraw/zinc/12/59/89/1098125989.db2.gz MGIOVQMKKWKKJK-VQHVLOKHSA-N -2 3 326.335 2.679 20 0 EFADHL CC(C)(CCNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1)C(=O)[O-] ZINC001609083699 1098136985 /nfs/dbraw/zinc/13/69/85/1098136985.db2.gz NOQFJRUDVZWUAF-UHFFFAOYSA-N -2 3 343.309 2.798 20 0 EFADHL CC(C)(CCNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1)C(=O)[O-] ZINC001609083699 1098136987 /nfs/dbraw/zinc/13/69/87/1098136987.db2.gz NOQFJRUDVZWUAF-UHFFFAOYSA-N -2 3 343.309 2.798 20 0 EFADHL CC(C)c1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1 ZINC001609104673 1098147367 /nfs/dbraw/zinc/14/73/67/1098147367.db2.gz IHVYPOKDQRWLPD-UHFFFAOYSA-N -2 3 337.383 2.972 20 0 EFADHL CCc1ccccc1S(=O)(=O)[N-]c1cccc(C)c1-c1nn[n-]n1 ZINC001609253542 1098226445 /nfs/dbraw/zinc/22/64/45/1098226445.db2.gz VSBRSUSKLXJQTH-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c2cccnc12 ZINC001609426647 1098313000 /nfs/dbraw/zinc/31/30/00/1098313000.db2.gz GYOIECLIJBAIDY-UHFFFAOYSA-N -2 3 346.350 2.681 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=CC=Cc2ccc(F)cc2)n1 ZINC001609572022 1098383781 /nfs/dbraw/zinc/38/37/81/1098383781.db2.gz INPOGWNJBZCKGE-ZPUQHVIOSA-N -2 3 337.314 2.826 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=CC=Cc2ccc(F)cc2)n1 ZINC001609572022 1098383785 /nfs/dbraw/zinc/38/37/85/1098383785.db2.gz INPOGWNJBZCKGE-ZPUQHVIOSA-N -2 3 337.314 2.826 20 0 EFADHL CC(=O)c1ccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC001609629275 1098409407 /nfs/dbraw/zinc/40/94/07/1098409407.db2.gz CDERWDSOINJWSG-UHFFFAOYSA-N -2 3 339.413 2.666 20 0 EFADHL CC(C)(C)c1nc(NC(=O)c2cccc3n[n-]nc32)sc1C(=O)[O-] ZINC001609671585 1098421879 /nfs/dbraw/zinc/42/18/79/1098421879.db2.gz YWQWPFMDFYFFRG-UHFFFAOYSA-N -2 3 345.384 2.662 20 0 EFADHL CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001609690095 1098428715 /nfs/dbraw/zinc/42/87/15/1098428715.db2.gz PVJJAYYZTQXNKP-MNOVXSKESA-N -2 3 346.474 2.725 20 0 EFADHL C[C@](CNC(=O)c1cc([O-])ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001609745661 1098444538 /nfs/dbraw/zinc/44/45/38/1098444538.db2.gz SDTIYILFQAVBKZ-QGZVFWFLSA-N -2 3 333.771 2.818 20 0 EFADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc2cn[nH]c2cc1C ZINC001610077792 1098541786 /nfs/dbraw/zinc/54/17/86/1098541786.db2.gz QXXALNGDKFZXSQ-UHFFFAOYSA-N -2 3 349.368 2.526 20 0 EFADHL CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)c1cc([O-])ccc1Cl ZINC001610123879 1098553165 /nfs/dbraw/zinc/55/31/65/1098553165.db2.gz INIQHHHUVOUGDZ-UHFFFAOYSA-N -2 3 349.770 2.781 20 0 EFADHL COC(=O)c1cc(COC(=O)c2cc3occc3[n-]2)cc(C(=O)[O-])c1 ZINC001610200359 1098569076 /nfs/dbraw/zinc/56/90/76/1098569076.db2.gz MSYZRADUYKRTRH-UHFFFAOYSA-N -2 3 343.291 2.603 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)[O-])cc2)c(C)c1 ZINC001610346672 1098631238 /nfs/dbraw/zinc/63/12/38/1098631238.db2.gz VCADXUPZXCYJNX-LBPRGKRZSA-N -2 3 349.408 2.993 20 0 EFADHL O=C([O-])c1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1Cl ZINC001610705788 1098836640 /nfs/dbraw/zinc/83/66/40/1098836640.db2.gz TVHUMJODDWNDRD-UHFFFAOYSA-N -2 3 335.699 2.725 20 0 EFADHL O=C([O-])CCC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC001610765810 1098873270 /nfs/dbraw/zinc/87/32/70/1098873270.db2.gz RKDDJPYGDWJQMJ-UHFFFAOYSA-N -2 3 341.389 2.947 20 0 EFADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1ccc([N+](=O)[O-])cc1Cl ZINC000163516806 1106328731 /nfs/dbraw/zinc/32/87/31/1106328731.db2.gz PEQSTYDTHQHNTK-UHFFFAOYSA-N -2 3 343.730 2.948 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)ccc2C(C)=O)c1 ZINC000783875916 1107779894 /nfs/dbraw/zinc/77/98/94/1107779894.db2.gz DTCZDKDHJWGABT-UHFFFAOYSA-N -2 3 339.344 2.543 20 0 EFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1cc2ccccc2s1)C(F)F ZINC000899924047 1109550852 /nfs/dbraw/zinc/55/08/52/1109550852.db2.gz PTKBUXQQDFOUPU-SECBINFHSA-N -2 3 349.380 2.536 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2=CCCCC2)c(F)cc1F ZINC000184836703 1119525812 /nfs/dbraw/zinc/52/58/12/1119525812.db2.gz RYVNFWYHIVNZCR-UHFFFAOYSA-N -2 3 345.367 2.832 20 0 EFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000097895670 219059541 /nfs/dbraw/zinc/05/95/41/219059541.db2.gz KRMSPMUOCMUXCY-SECBINFHSA-N -2 3 337.800 2.504 20 0 EFADHL O=C(NCCc1n[n-]c(=S)n1C1CC1)c1ccc([O-])c(Cl)c1 ZINC000067119280 215114545 /nfs/dbraw/zinc/11/45/45/215114545.db2.gz GJNLHXCENINDGK-UHFFFAOYSA-N -2 3 338.820 2.607 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1 ZINC000038431467 213209131 /nfs/dbraw/zinc/20/91/31/213209131.db2.gz GNKHKMGQSQYDNU-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000038036709 213196126 /nfs/dbraw/zinc/19/61/26/213196126.db2.gz GZPSRYATMDECSE-LLVKDONJSA-N -2 3 337.850 2.713 20 0 EFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000037406197 213144146 /nfs/dbraw/zinc/14/41/46/213144146.db2.gz SYBHSYFOQLCUKW-XVKPBYJWSA-N -2 3 340.228 2.771 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000036838293 213122069 /nfs/dbraw/zinc/12/20/69/213122069.db2.gz YATUCVQJHKROQS-SECBINFHSA-N -2 3 326.201 2.525 20 0 EFADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000129464743 223058643 /nfs/dbraw/zinc/05/86/43/223058643.db2.gz UITFHZMSASDCJO-UHFFFAOYSA-N -2 3 335.791 2.987 20 0 EFADHL C[C@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000131766373 223270268 /nfs/dbraw/zinc/27/02/68/223270268.db2.gz LWPZWMQDYORRGQ-NKWVEPMBSA-N -2 3 338.212 2.626 20 0 EFADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000131901870 223282416 /nfs/dbraw/zinc/28/24/16/223282416.db2.gz IDXUIRGEGMBGFW-QMMMGPOBSA-N -2 3 340.228 2.915 20 0 EFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000217100826 241236286 /nfs/dbraw/zinc/23/62/86/241236286.db2.gz KFIJJIAGZDABNS-LBPRGKRZSA-N -2 3 340.228 2.773 20 0 EFADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000229517609 242171417 /nfs/dbraw/zinc/17/14/17/242171417.db2.gz DYOMPUOTYUHFKW-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000229517211 242172833 /nfs/dbraw/zinc/17/28/33/242172833.db2.gz XPAONCFWEGCRQO-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)c[nH]1 ZINC000021519704 212227260 /nfs/dbraw/zinc/22/72/60/212227260.db2.gz HVDDBGZSPIFKGG-UHFFFAOYSA-N -2 3 335.168 2.821 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])c(C)o2)sc1Cl ZINC000231806755 242271651 /nfs/dbraw/zinc/27/16/51/242271651.db2.gz OABJOLNCEPDCAM-UHFFFAOYSA-N -2 3 349.817 2.788 20 0 EFADHL O=C([O-])[C@H]1CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000263392592 304186124 /nfs/dbraw/zinc/18/61/24/304186124.db2.gz DYLFRSSTDNQFLW-MRXNPFEDSA-N -2 3 341.363 2.660 20 0 EFADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000012735386 211441089 /nfs/dbraw/zinc/44/10/89/211441089.db2.gz ZJDZMTFNGNCZQN-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1ccc(F)cc1[O-] ZINC000442264128 250076561 /nfs/dbraw/zinc/07/65/61/250076561.db2.gz HRDQRBLFQRKKCL-UHFFFAOYSA-N -2 3 334.257 2.847 20 0 EFADHL O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1ccc(F)cc1[O-] ZINC000442264128 250076563 /nfs/dbraw/zinc/07/65/63/250076563.db2.gz HRDQRBLFQRKKCL-UHFFFAOYSA-N -2 3 334.257 2.847 20 0 EFADHL O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1ccc(F)cc1[O-] ZINC000442264128 250076568 /nfs/dbraw/zinc/07/65/68/250076568.db2.gz HRDQRBLFQRKKCL-UHFFFAOYSA-N -2 3 334.257 2.847 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3ccoc3c2)ccc1[O-] ZINC000442836988 250130493 /nfs/dbraw/zinc/13/04/93/250130493.db2.gz OZNAJTNZKAWASZ-UHFFFAOYSA-N -2 3 346.364 2.898 20 0 EFADHL Cc1nc(C=Cc2cn(C)nc2C(C)(C)C)[n-]c(=O)c1CCC(=O)[O-] ZINC000443438880 250194813 /nfs/dbraw/zinc/19/48/13/250194813.db2.gz GGQQEXKBOISGBG-VURMDHGXSA-N -2 3 344.415 2.709 20 0 EFADHL Cc1nc(C=Cc2c(F)ccc([O-])c2F)[n-]c(=O)c1CCC(=O)[O-] ZINC000443446072 250196200 /nfs/dbraw/zinc/19/62/00/250196200.db2.gz LFLIKNBUSFQPQL-KXFIGUGUSA-N -3 3 336.294 2.662 20 0 EFADHL COc1cc(C)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(C)n1 ZINC000443442983 250196236 /nfs/dbraw/zinc/19/62/36/250196236.db2.gz HVDHQQQTFLKYJQ-FNORWQNLSA-N -2 3 343.383 2.699 20 0 EFADHL Cc1cccc2ncc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)n21 ZINC000443450601 250196283 /nfs/dbraw/zinc/19/62/83/250196283.db2.gz FBFDBJHKMLIRCS-VURMDHGXSA-N -2 3 338.367 2.634 20 0 EFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000094703001 218268977 /nfs/dbraw/zinc/26/89/77/218268977.db2.gz WQDJTMPCOPODGF-SECBINFHSA-N -2 3 337.800 2.504 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1 ZINC000008106273 210895507 /nfs/dbraw/zinc/89/55/07/210895507.db2.gz LSGZUWPZIODYEE-UHFFFAOYSA-N -2 3 337.372 2.952 20 0 EFADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]1C ZINC000237356818 296485863 /nfs/dbraw/zinc/48/58/63/296485863.db2.gz ZLTVQHAULMINHC-BREBYQMCSA-N -2 3 329.393 2.627 20 0 EFADHL O=C([O-])CC[C@@H](CC1CCCCC1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000263411253 141392197 /nfs/dbraw/zinc/39/21/97/141392197.db2.gz MJMHFFFMGRIOPN-AWEZNQCLSA-N -2 3 344.415 2.892 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@H](C(=O)[O-])[C@@H](C)CC)nc2)n1 ZINC000263419910 141392651 /nfs/dbraw/zinc/39/26/51/141392651.db2.gz PDQDXDJWUCQKNQ-BONVTDFDSA-N -2 3 330.388 2.718 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1 ZINC000345912044 142116700 /nfs/dbraw/zinc/11/67/00/142116700.db2.gz WOTVFQQRVKACSY-UHFFFAOYSA-N -2 3 347.392 2.971 20 0 EFADHL COc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000346011134 142132743 /nfs/dbraw/zinc/13/27/43/142132743.db2.gz GWQSMCPYEXFVFQ-BDJLRTHQSA-N -2 3 329.352 2.593 20 0 EFADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)cc1 ZINC000342434746 145125581 /nfs/dbraw/zinc/12/55/81/145125581.db2.gz JEFVSHHOGAKGFM-IUODEOHRSA-N -2 3 341.429 2.576 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)c1 ZINC000342625123 145161175 /nfs/dbraw/zinc/16/11/75/145161175.db2.gz SPSCYPLWAMNAOA-UHFFFAOYSA-N -2 3 343.788 2.864 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3cc[nH]n3)c2)c1 ZINC000342775242 145189850 /nfs/dbraw/zinc/18/98/50/145189850.db2.gz DLLIGBQBFTWJDE-UHFFFAOYSA-N -2 3 345.380 2.592 20 0 EFADHL CCCOc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000342783200 145192185 /nfs/dbraw/zinc/19/21/85/145192185.db2.gz RADBNEXIEXXZOP-UHFFFAOYSA-N -2 3 337.397 2.990 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3scnc3c2)c1 ZINC000342784139 145192550 /nfs/dbraw/zinc/19/25/50/145192550.db2.gz RQJGQPGTMXCESQ-UHFFFAOYSA-N -2 3 336.394 2.811 20 0 EFADHL CCOc1cc(C)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000342786189 145193131 /nfs/dbraw/zinc/19/31/31/145193131.db2.gz ZDUCOOOZFGMSLQ-UHFFFAOYSA-N -2 3 337.397 2.909 20 0 EFADHL Cc1nc(C=CC=Cc2ccc(F)cc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000349106297 146054048 /nfs/dbraw/zinc/05/40/48/146054048.db2.gz HUXWCOSTLOJLAC-VOERYJCWSA-N -2 3 332.306 2.710 20 0 EFADHL Cc1nc(C=CC=Cc2ccc(F)c(F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349114084 146054664 /nfs/dbraw/zinc/05/46/64/146054664.db2.gz UBGLBZWKFLQNRR-ZUVMSYQZSA-N -2 3 332.306 2.710 20 0 EFADHL CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000349112692 146054685 /nfs/dbraw/zinc/05/46/85/146054685.db2.gz PDELRVNFHOWCGB-SOFGYWHQSA-N -2 3 344.367 2.695 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@H](C)C(=O)[O-])cc2)cc1 ZINC000350730939 146085035 /nfs/dbraw/zinc/08/50/35/146085035.db2.gz WOTVBIGJGWPMAB-LBPRGKRZSA-N -2 3 349.408 2.759 20 0 EFADHL COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000350840697 146095877 /nfs/dbraw/zinc/09/58/77/146095877.db2.gz WVNRNJSYFBHDLM-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1C ZINC000359654329 148152763 /nfs/dbraw/zinc/15/27/63/148152763.db2.gz WDHDRLKFUHTXIS-JTQLQIEISA-N -2 3 339.417 2.678 20 0 EFADHL C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1cccc([O-])c1Br ZINC000263017498 300054817 /nfs/dbraw/zinc/05/48/17/300054817.db2.gz DFOJICUICNILJU-ONGXEEELSA-N -2 3 328.206 2.840 20 0 EFADHL C[C@@H]1CCCN(Cc2cccc([O-])c2Br)[C@H]1C(=O)[O-] ZINC000424418765 287355633 /nfs/dbraw/zinc/35/56/33/287355633.db2.gz ZHLTTZRZSKBANN-NOZJJQNGSA-N -2 3 328.206 2.840 20 0 EFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@H](C)C(=O)[O-])c1Cl ZINC000054334008 544452694 /nfs/dbraw/zinc/45/26/94/544452694.db2.gz WITRYCMXFALEGH-ZETCQYMHSA-N -2 3 340.228 2.609 20 0 EFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000290872806 294208583 /nfs/dbraw/zinc/20/85/83/294208583.db2.gz BCILMKYNTUGFQS-ZETCQYMHSA-N -2 3 345.364 2.545 20 0 EFADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000290931615 294223448 /nfs/dbraw/zinc/22/34/48/294223448.db2.gz JEVSNASZKDKWNY-SSDOTTSWSA-N -2 3 345.364 2.689 20 0 EFADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000291012186 294246523 /nfs/dbraw/zinc/24/65/23/294246523.db2.gz VADQEGQLTNGUMR-SNVBAGLBSA-N -2 3 345.364 2.546 20 0 EFADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000421145276 294383091 /nfs/dbraw/zinc/38/30/91/294383091.db2.gz CTVRLMPUJULCGG-SNVBAGLBSA-N -2 3 349.836 2.841 20 0 EFADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2CCCc3ccccc32)c1 ZINC000058377313 301151695 /nfs/dbraw/zinc/15/16/95/301151695.db2.gz XLASRGCWRQKROA-UHFFFAOYSA-N -2 3 347.392 2.540 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)ccc1C(=O)[O-] ZINC000357699443 301364606 /nfs/dbraw/zinc/36/46/06/301364606.db2.gz IQWXRLYIXWXDHP-NSHDSACASA-N -2 3 347.392 2.817 20 0 EFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000166663408 310733896 /nfs/dbraw/zinc/73/38/96/310733896.db2.gz JNWKEEUYXQPKQA-UHFFFAOYSA-N -2 3 338.212 2.527 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CC(C)C ZINC000314473702 311233272 /nfs/dbraw/zinc/23/32/72/311233272.db2.gz MQVLNKANMSYZOA-VIFPVBQESA-N -2 3 349.836 2.760 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC1(C)CCC1 ZINC000318560365 311236583 /nfs/dbraw/zinc/23/65/83/311236583.db2.gz MEBYHMMPVHBSDQ-UHFFFAOYSA-N -2 3 347.820 2.515 20 0 EFADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1C ZINC000320421364 311237706 /nfs/dbraw/zinc/23/77/06/311237706.db2.gz SSWFLLRFWIGCRG-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)c1 ZINC000320580368 311237724 /nfs/dbraw/zinc/23/77/24/311237724.db2.gz VHSGMBFIYRXFKQ-UHFFFAOYSA-N -2 3 343.420 2.838 20 0 EFADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(O)c1 ZINC000323288178 311239872 /nfs/dbraw/zinc/23/98/72/311239872.db2.gz KXEXWBYKBQODMU-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc3cnccc32)c1 ZINC000324274620 311241636 /nfs/dbraw/zinc/24/16/36/311241636.db2.gz ZFVOIGOVBSAVOF-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(C(=O)[O-])c1 ZINC000326588623 311244293 /nfs/dbraw/zinc/24/42/93/311244293.db2.gz JUGWUCQNWDYBDO-UHFFFAOYSA-N -2 3 347.392 2.683 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)cc1CC(=O)[O-] ZINC000340880933 311718967 /nfs/dbraw/zinc/71/89/67/311718967.db2.gz ARQJOASHGDJCQH-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL CC(C)(C)c1ccc([O-])c([N-]S(=O)(=O)CCOCC2CC2)c1 ZINC000424068127 312506578 /nfs/dbraw/zinc/50/65/78/312506578.db2.gz RDYKLMIYEMKLGJ-UHFFFAOYSA-N -2 3 327.446 2.858 20 0 EFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC000516536116 315682960 /nfs/dbraw/zinc/68/29/60/315682960.db2.gz QUXFAQKOIVFDOS-GXSJLCMTSA-N -2 3 349.836 2.516 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1nccs1 ZINC000521998924 316061174 /nfs/dbraw/zinc/06/11/74/316061174.db2.gz QJHOGUIHFUPIBF-NSHDSACASA-N -2 3 340.426 2.579 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(c2)OCC3(C)C)c1 ZINC000530140692 317061216 /nfs/dbraw/zinc/06/12/16/317061216.db2.gz JSGGAQGVFUAUFY-UHFFFAOYSA-N -2 3 349.408 2.872 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc(C(=O)[O-])c1C ZINC000535054741 317575973 /nfs/dbraw/zinc/57/59/73/317575973.db2.gz HTGAJDBPYROFHO-UHFFFAOYSA-N -3 3 339.344 2.647 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000547561498 318019239 /nfs/dbraw/zinc/01/92/39/318019239.db2.gz SLKCFNDUQZFIBP-BDJLRTHQSA-N -2 3 343.420 2.694 20 0 EFADHL CC1([C@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C(=O)[O-])CCCCC1 ZINC000547701047 318031594 /nfs/dbraw/zinc/03/15/94/318031594.db2.gz UHUWTBZNZHWJBS-CYBMUJFWSA-N -2 3 347.383 2.667 20 0 EFADHL CC1([C@@H]([N-]S(=O)(=O)c2ccc(F)cc2F)C(=O)[O-])CCCCC1 ZINC000547701048 318031802 /nfs/dbraw/zinc/03/18/02/318031802.db2.gz UHUWTBZNZHWJBS-ZDUSSCGKSA-N -2 3 347.383 2.667 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])cc1F ZINC000547887840 318051360 /nfs/dbraw/zinc/05/13/60/318051360.db2.gz AXYXWNOUAZRKIS-UKRRQHHQSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])cc1F ZINC000547887838 318051399 /nfs/dbraw/zinc/05/13/99/318051399.db2.gz AXYXWNOUAZRKIS-DZGCQCFKSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-] ZINC000547896665 318051615 /nfs/dbraw/zinc/05/16/15/318051615.db2.gz LHEQCRJEXSFQAH-VIFPVBQESA-N -2 3 343.376 2.802 20 0 EFADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000548203758 318084395 /nfs/dbraw/zinc/08/43/95/318084395.db2.gz XUVXHLFVIOFIMY-UHFFFAOYSA-N -2 3 341.335 2.913 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])c(F)cc1F ZINC000548227432 318085420 /nfs/dbraw/zinc/08/54/20/318085420.db2.gz PLGMHEZGWCDZAP-HIFRSBDPSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C ZINC000548241565 318086280 /nfs/dbraw/zinc/08/62/80/318086280.db2.gz DLTYEIUKOAJEJN-NSHDSACASA-N -2 3 331.409 2.692 20 0 EFADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000548260928 318086842 /nfs/dbraw/zinc/08/68/42/318086842.db2.gz XEWOMBQVABSACZ-BXUZGUMPSA-N -2 3 347.383 2.667 20 0 EFADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000548260892 318086857 /nfs/dbraw/zinc/08/68/57/318086857.db2.gz VWHUVHWPJCHCBE-JQWIXIFHSA-N -2 3 331.409 2.692 20 0 EFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000548269098 318087757 /nfs/dbraw/zinc/08/77/57/318087757.db2.gz QYSMRNWDWIEVEZ-SECBINFHSA-N -2 3 337.800 2.791 20 0 EFADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1F ZINC000548591496 318121230 /nfs/dbraw/zinc/12/12/30/318121230.db2.gz KBYWTYVHRQVZEQ-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000548591095 318121323 /nfs/dbraw/zinc/12/13/23/318121323.db2.gz CJNBPOXUINAVHA-AAEUAGOBSA-N -2 3 329.393 2.528 20 0 EFADHL CC(=O)c1cccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c1[O-] ZINC000552070550 318240790 /nfs/dbraw/zinc/24/07/90/318240790.db2.gz VUDQSGHSAOKOMT-UHFFFAOYSA-N -2 3 349.346 2.801 20 0 EFADHL CC(=O)c1cccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c1[O-] ZINC000552070550 318240793 /nfs/dbraw/zinc/24/07/93/318240793.db2.gz VUDQSGHSAOKOMT-UHFFFAOYSA-N -2 3 349.346 2.801 20 0 EFADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000556701383 318400605 /nfs/dbraw/zinc/40/06/05/318400605.db2.gz SRCHQIZPZBJJFU-NSHDSACASA-N -2 3 339.388 2.901 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC(C)(C)C2)c(F)cc1F ZINC000556775702 318407984 /nfs/dbraw/zinc/40/79/84/318407984.db2.gz VERHNZXZPDTVQQ-OAHLLOKOSA-N -2 3 347.383 2.585 20 0 EFADHL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000560079883 318526598 /nfs/dbraw/zinc/52/65/98/318526598.db2.gz HVTYEJSSNLOEOB-HNNXBMFYSA-N -2 3 331.409 2.774 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]CC(C)(C)c2cccs2)cc1C(=O)[O-] ZINC000566175878 319043817 /nfs/dbraw/zinc/04/38/17/319043817.db2.gz GOZXFHRPGSYZDP-UHFFFAOYSA-N -2 3 343.426 2.604 20 0 EFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C)CCC(C)C ZINC000566854045 319116762 /nfs/dbraw/zinc/11/67/62/319116762.db2.gz ZSBZDHHMEMPFPW-JTQLQIEISA-N -2 3 347.408 2.636 20 0 EFADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000567674429 319194994 /nfs/dbraw/zinc/19/49/94/319194994.db2.gz XFEKTGNSUQLFPA-NSHDSACASA-N -2 3 349.399 2.914 20 0 EFADHL CC[C@@](C)([N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1nccs1 ZINC000567798016 319212364 /nfs/dbraw/zinc/21/23/64/319212364.db2.gz IJRBCPZMGIIUGR-GFCCVEGCSA-N -2 3 346.455 2.507 20 0 EFADHL CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000567796788 319212367 /nfs/dbraw/zinc/21/23/67/319212367.db2.gz HONMJODAICTGQS-BDAKNGLRSA-N -2 3 335.447 2.558 20 0 EFADHL CC[C@](C)([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1nccs1 ZINC000568506657 319291131 /nfs/dbraw/zinc/29/11/31/319291131.db2.gz HEMSUFNCPLXNIZ-LBPRGKRZSA-N -2 3 346.455 2.507 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000572637993 319690304 /nfs/dbraw/zinc/69/03/04/319690304.db2.gz IPUVBJGKKYHWSJ-AWEZNQCLSA-N -2 3 339.438 2.778 20 0 EFADHL CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000573203722 319743689 /nfs/dbraw/zinc/74/36/89/319743689.db2.gz SOASGNOCPCRNAW-VHSXEESVSA-N -2 3 347.408 2.636 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)[C@H](C)C(=O)[O-] ZINC000575333950 319941085 /nfs/dbraw/zinc/94/10/85/319941085.db2.gz IGRUDYJAWJQLHS-IONNQARKSA-N -2 3 345.804 2.782 20 0 EFADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]CCCC(F)(F)F ZINC000575920129 319966060 /nfs/dbraw/zinc/96/60/60/319966060.db2.gz LOYPSOZNIWPRTR-UHFFFAOYSA-N -2 3 345.726 2.659 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])c1F ZINC000578036650 320167681 /nfs/dbraw/zinc/16/76/81/320167681.db2.gz XSCZCNGQMSSPII-CHWSQXEVSA-N -2 3 343.420 2.836 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(C)c1F ZINC000181156645 323228870 /nfs/dbraw/zinc/22/88/70/323228870.db2.gz KNPIYFNAVZJQPL-UHFFFAOYSA-N -2 3 329.324 2.788 20 0 EFADHL CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000387634478 323765958 /nfs/dbraw/zinc/76/59/58/323765958.db2.gz RFUJJCMCRGPMNT-GXFFZTMASA-N -2 3 329.393 2.771 20 0 EFADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000388170754 323768195 /nfs/dbraw/zinc/76/81/95/323768195.db2.gz HQJVOGHBBUMYQZ-CABZTGNLSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](C(=O)[O-])C(C)C)sc1Cl ZINC000399728070 323796911 /nfs/dbraw/zinc/79/69/11/323796911.db2.gz KYGFCUCJVLWIEY-PSASIEDQSA-N -2 3 339.866 2.734 20 0 EFADHL CCC(CC)([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000579233958 323914266 /nfs/dbraw/zinc/91/42/66/323914266.db2.gz BWHDJRSNHGIIAY-UHFFFAOYSA-N -2 3 345.364 2.689 20 0 EFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000579322106 323930419 /nfs/dbraw/zinc/93/04/19/323930419.db2.gz OHYRMYFKFZFOFI-ZDUSSCGKSA-N -2 3 337.372 2.511 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])cc1F ZINC000580027547 324078553 /nfs/dbraw/zinc/07/85/53/324078553.db2.gz BRGBWTZKCSBOKM-MFKMUULPSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1cnc(SCCCCSc2ncc(C)c(=O)[n-]2)[n-]c1=O ZINC000580580157 324192802 /nfs/dbraw/zinc/19/28/02/324192802.db2.gz BQRNCTPAOMJMIC-UHFFFAOYSA-N -2 3 338.458 2.959 20 0 EFADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000582285429 324559853 /nfs/dbraw/zinc/55/98/53/324559853.db2.gz AJGAMYNFOKVDSZ-LLVKDONJSA-N -2 3 339.388 2.758 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000185006970 473297953 /nfs/dbraw/zinc/29/79/53/473297953.db2.gz FAWOCLXZSKKWFX-SECBINFHSA-N -2 3 346.455 2.641 20 0 EFADHL COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)c([O-])c1 ZINC000622000528 479876435 /nfs/dbraw/zinc/87/64/35/479876435.db2.gz QSPYDJGNCZJCBG-IPYPFGDCSA-N -2 3 333.384 2.506 20 0 EFADHL CC[C@](CNC(=O)c1ccc(OC)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC000622000267 479876509 /nfs/dbraw/zinc/87/65/09/479876509.db2.gz DMJCJWJAGOUDEE-LJQANCHMSA-N -2 3 343.379 2.563 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)CC(F)(F)F)sc1C(=O)[O-] ZINC000396936211 476851169 /nfs/dbraw/zinc/85/11/69/476851169.db2.gz WVSNWAMTIMXWCD-ZCFIWIBFSA-N -2 3 345.364 2.622 20 0 EFADHL CCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000002638328 471414268 /nfs/dbraw/zinc/41/42/68/471414268.db2.gz CKJNJTYITXDCQC-UHFFFAOYSA-N -2 3 326.201 2.770 20 0 EFADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013340054 471826013 /nfs/dbraw/zinc/82/60/13/471826013.db2.gz NZXQZEJSTSFUBW-LURJTMIESA-N -2 3 326.201 2.768 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1C(=O)[O-] ZINC000013348938 471827125 /nfs/dbraw/zinc/82/71/25/471827125.db2.gz QHUAQWNOCLEQDG-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000035390715 471996889 /nfs/dbraw/zinc/99/68/89/471996889.db2.gz PTRFFJZJDDMWQG-SNVBAGLBSA-N -2 3 340.228 2.771 20 0 EFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@H](C)CC(=O)[O-])c1Cl ZINC000036967150 472008234 /nfs/dbraw/zinc/00/82/34/472008234.db2.gz OQTWGNXZFNOGSZ-SSDOTTSWSA-N -2 3 340.228 2.752 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000024432885 472055198 /nfs/dbraw/zinc/05/51/98/472055198.db2.gz TXEKWEGHZMNUSG-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1 ZINC000055547873 472201413 /nfs/dbraw/zinc/20/14/13/472201413.db2.gz PXUQZZJUCBIIDL-UHFFFAOYSA-N -2 3 347.392 2.683 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cccc2F)c(F)c1 ZINC000076081899 472263761 /nfs/dbraw/zinc/26/37/61/472263761.db2.gz AZCBUTGTUJAHKC-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000045945742 472488844 /nfs/dbraw/zinc/48/88/44/472488844.db2.gz ZFQJZLRDINYXNI-UHFFFAOYSA-N -2 3 335.381 2.757 20 0 EFADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000070311702 472497390 /nfs/dbraw/zinc/49/73/90/472497390.db2.gz CCURDZVEMMIGIW-SSDOTTSWSA-N -2 3 326.201 2.525 20 0 EFADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1F ZINC000060800301 472678808 /nfs/dbraw/zinc/67/88/08/472678808.db2.gz QOAFCDMLGIZCNK-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1F ZINC000047318008 472689294 /nfs/dbraw/zinc/68/92/94/472689294.db2.gz QDXKXDRTXMWLRY-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000047906605 472778610 /nfs/dbraw/zinc/77/86/10/472778610.db2.gz CPIDKMBBQZUHBK-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1 ZINC000063476232 472780860 /nfs/dbraw/zinc/78/08/60/472780860.db2.gz XXISMRVNWNDDLS-UHFFFAOYSA-N -2 3 335.381 2.568 20 0 EFADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cc(F)ccc2[O-])CC1 ZINC000080001339 472958429 /nfs/dbraw/zinc/95/84/29/472958429.db2.gz IFWUAZJELJLING-UHFFFAOYSA-N -2 3 343.354 2.972 20 0 EFADHL Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)n1 ZINC000080265927 473006636 /nfs/dbraw/zinc/00/66/36/473006636.db2.gz FHSFHOWKRFSTCT-QMMMGPOBSA-N -2 3 346.455 2.559 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1C(=O)[O-] ZINC000066290443 473069821 /nfs/dbraw/zinc/06/98/21/473069821.db2.gz VIXCTPSPKGSSET-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000135573447 473095309 /nfs/dbraw/zinc/09/53/09/473095309.db2.gz RHIIRVLGLCSQGM-PRHODGIISA-N -2 3 337.850 2.713 20 0 EFADHL Cc1cccc(CS(=O)(=O)[N-]c2n[n-]c(SC(C)C)n2)c1 ZINC000186593646 473695839 /nfs/dbraw/zinc/69/58/39/473695839.db2.gz MKLYSDFKVGQXAR-UHFFFAOYSA-N -2 3 326.447 2.556 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000262617241 473701979 /nfs/dbraw/zinc/70/19/79/473701979.db2.gz DRARBQWSJQIQAV-SECBINFHSA-N -2 3 326.201 2.525 20 0 EFADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000194387635 473889631 /nfs/dbraw/zinc/88/96/31/473889631.db2.gz UFIIDCSMWXOIAM-JTQLQIEISA-N -2 3 338.713 2.687 20 0 EFADHL O=C(Nc1ccc([O-])cc1F)c1nn(-c2ccccc2F)cc1[O-] ZINC000180859906 473977541 /nfs/dbraw/zinc/97/75/41/473977541.db2.gz RACWXVIHZOITNX-UHFFFAOYSA-N -2 3 331.278 2.814 20 0 EFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000275017317 474043837 /nfs/dbraw/zinc/04/38/37/474043837.db2.gz AAXRRNSNPPRKEI-MRVPVSSYSA-N -2 3 337.800 2.647 20 0 EFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000275139231 474083232 /nfs/dbraw/zinc/08/32/32/474083232.db2.gz JTHZCGVSCMTWBE-QMMMGPOBSA-N -2 3 337.800 2.647 20 0 EFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000275281530 474129049 /nfs/dbraw/zinc/12/90/49/474129049.db2.gz RVLWZFJPQQQAPN-MRVPVSSYSA-N -2 3 337.800 2.647 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(C)c2C)ccc1[O-] ZINC000175687445 474283382 /nfs/dbraw/zinc/28/33/82/474283382.db2.gz GAKSTPJVKLXRPG-UHFFFAOYSA-N -2 3 334.397 2.768 20 0 EFADHL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCC1CC1 ZINC000271268095 474466727 /nfs/dbraw/zinc/46/67/27/474466727.db2.gz MWHCOYRQLRKZOQ-UHFFFAOYSA-N -2 3 327.402 2.714 20 0 EFADHL COC(=O)C1(CS(=O)(=O)[N-]c2ccc(C)cc2[O-])CCCCC1 ZINC000291892503 474738363 /nfs/dbraw/zinc/73/83/63/474738363.db2.gz JTCIXOCSNMOALZ-UHFFFAOYSA-N -2 3 341.429 2.566 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000284964335 474844566 /nfs/dbraw/zinc/84/45/66/474844566.db2.gz DZTPHHJDBOPSNJ-QMMMGPOBSA-N -2 3 345.726 2.500 20 0 EFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000312260233 474847267 /nfs/dbraw/zinc/84/72/67/474847267.db2.gz OGZZWUMWIJXHJD-NSHDSACASA-N -2 3 338.212 2.525 20 0 EFADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000317249625 474886422 /nfs/dbraw/zinc/88/64/22/474886422.db2.gz XMYACRGKQCSZQL-VIFPVBQESA-N -2 3 335.372 2.523 20 0 EFADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000319604854 474901892 /nfs/dbraw/zinc/90/18/92/474901892.db2.gz KWDPRXWGMBIJLH-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(F)c1 ZINC000319625079 474903136 /nfs/dbraw/zinc/90/31/36/474903136.db2.gz YVIINYWNKYTGHF-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000320684138 474915847 /nfs/dbraw/zinc/91/58/47/474915847.db2.gz PHAWNDCXUKTMPT-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000320893797 474917989 /nfs/dbraw/zinc/91/79/89/474917989.db2.gz NAWFMEUYQNMHDY-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000320876326 474919140 /nfs/dbraw/zinc/91/91/40/474919140.db2.gz LBFSZVPSFJIXTF-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)c(F)c1 ZINC000321621757 474928369 /nfs/dbraw/zinc/92/83/69/474928369.db2.gz NMOWKYPPISRJPT-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1 ZINC000321579040 474929558 /nfs/dbraw/zinc/92/95/58/474929558.db2.gz IMTARZIRLVITBU-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000326458266 475005532 /nfs/dbraw/zinc/00/55/32/475005532.db2.gz YAGRSQKJPKUOCR-UHFFFAOYSA-N -2 3 349.408 2.683 20 0 EFADHL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1Cc1nc(=O)c2sccc2[n-]1 ZINC000294284973 475066065 /nfs/dbraw/zinc/06/60/65/475066065.db2.gz ULCZFJILAZDTTD-DLOVCJGASA-N -2 3 333.413 2.615 20 0 EFADHL O=C([O-])CCC[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000262173192 475191457 /nfs/dbraw/zinc/19/14/57/475191457.db2.gz VNCCAUYKVLQQHN-UHFFFAOYSA-N -2 3 345.726 2.502 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)c(Cl)cc1F ZINC000262410331 475234856 /nfs/dbraw/zinc/23/48/56/475234856.db2.gz LJZLUJHKAUZXHO-UHFFFAOYSA-N -2 3 349.811 2.709 20 0 EFADHL CC(C)Oc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCCCF ZINC000352429680 475288231 /nfs/dbraw/zinc/28/82/31/475288231.db2.gz AFMWKTNTTTXRIK-UHFFFAOYSA-N -2 3 333.381 2.663 20 0 EFADHL COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(OC)c1 ZINC000347391065 475291653 /nfs/dbraw/zinc/29/16/53/475291653.db2.gz NNYLFXORDDIUND-YVMONPNESA-N -2 3 344.367 2.695 20 0 EFADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)ccc2O1 ZINC000345681597 475361613 /nfs/dbraw/zinc/36/16/13/475361613.db2.gz DLLSHRPKDAIVKG-UHFFFAOYSA-N -2 3 347.392 2.899 20 0 EFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000296883992 475519876 /nfs/dbraw/zinc/51/98/76/475519876.db2.gz FRTONRLVFHMDMV-SECBINFHSA-N -2 3 340.228 2.915 20 0 EFADHL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1C ZINC000338128017 475609703 /nfs/dbraw/zinc/60/97/03/475609703.db2.gz JZMYBKVYCULKOA-UHFFFAOYSA-N -2 3 349.408 2.603 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2)c(F)c1 ZINC000358389723 475640325 /nfs/dbraw/zinc/64/03/25/475640325.db2.gz OAUCMJWVNNXDHF-UHFFFAOYSA-N -2 3 349.383 2.880 20 0 EFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000297189098 475648067 /nfs/dbraw/zinc/64/80/67/475648067.db2.gz LTCUCEHIOLQFSI-SSDOTTSWSA-N -2 3 345.364 2.689 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc(C(=O)[O-])c1C ZINC000348453713 475675860 /nfs/dbraw/zinc/67/58/60/475675860.db2.gz XMJDIQFHKRQFHV-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)CCOC(C)C)cc1)C(=O)[O-] ZINC000361775349 475741738 /nfs/dbraw/zinc/74/17/38/475741738.db2.gz FTGFWQLMXCULSV-CQSZACIVSA-N -2 3 343.445 2.507 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C)c1 ZINC000346675750 475754426 /nfs/dbraw/zinc/75/44/26/475754426.db2.gz QJDZUVVSNITVDX-GHMZBOCLSA-N -2 3 329.393 2.547 20 0 EFADHL O=C([O-])c1ccc([N-]C(=O)c2cc(-c3ccccn3)no2)c(F)c1 ZINC000343104433 475771783 /nfs/dbraw/zinc/77/17/83/475771783.db2.gz RPJODFVIYLQOEG-UHFFFAOYSA-N -2 3 327.271 2.826 20 0 EFADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1C ZINC000358562374 475772389 /nfs/dbraw/zinc/77/23/89/475772389.db2.gz UMJJNVMNQBGGJM-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)c1 ZINC000355470453 475965750 /nfs/dbraw/zinc/96/57/50/475965750.db2.gz JARISNHLGGKJTI-NWDGAFQWSA-N -2 3 329.443 2.693 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2CCc3ccccc32)c1 ZINC000355494850 475983602 /nfs/dbraw/zinc/98/36/02/475983602.db2.gz PYKXEWOSKHKQOX-AWEZNQCLSA-N -2 3 349.383 2.798 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1C(=O)[O-] ZINC000340411823 476018757 /nfs/dbraw/zinc/01/87/57/476018757.db2.gz VCRYNXYKINHSMO-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCC(=O)[O-] ZINC000340436337 476034288 /nfs/dbraw/zinc/03/42/88/476034288.db2.gz VXOKHPKXFNINTR-UHFFFAOYSA-N -2 3 331.777 2.538 20 0 EFADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000340455121 476044976 /nfs/dbraw/zinc/04/49/76/476044976.db2.gz TZMIZTIATSYNFH-LBPRGKRZSA-N -2 3 347.845 2.942 20 0 EFADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000362309060 476158457 /nfs/dbraw/zinc/15/84/57/476158457.db2.gz ODHIWFFKZYFEQK-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c(F)c1 ZINC000362309169 476159161 /nfs/dbraw/zinc/15/91/61/476159161.db2.gz OFTKMBUNVQUTFB-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000336876902 476162612 /nfs/dbraw/zinc/16/26/12/476162612.db2.gz VWYJQWIYNJEPAO-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cc1c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cccc1C(=O)[O-] ZINC000336877544 476162695 /nfs/dbraw/zinc/16/26/95/476162695.db2.gz QAIFDXMJJHXSEQ-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000353676031 476180591 /nfs/dbraw/zinc/18/05/91/476180591.db2.gz LCKSFAUYFIYNCS-UHFFFAOYSA-N -2 3 349.408 2.603 20 0 EFADHL COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000359092893 476181925 /nfs/dbraw/zinc/18/19/25/476181925.db2.gz SFCNVTJFNCFCNM-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])ccc1F ZINC000357206880 476290121 /nfs/dbraw/zinc/29/01/21/476290121.db2.gz AJBVLVBRPMTDFM-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL COc1cc([O-])cc(-c2nc3cc(OC)c(OC)cc3c(=O)[n-]2)c1 ZINC000362593058 476320897 /nfs/dbraw/zinc/32/08/97/476320897.db2.gz OOCNYOIOFMZPRM-UHFFFAOYSA-N -2 3 328.324 2.734 20 0 EFADHL O=C([O-])c1cc(F)c(F)cc1[N-]S(=O)(=O)CCc1cccs1 ZINC000357556749 476452037 /nfs/dbraw/zinc/45/20/37/476452037.db2.gz YMFWQBYEMLLLNM-UHFFFAOYSA-N -2 3 347.364 2.709 20 0 EFADHL CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000365573748 476630219 /nfs/dbraw/zinc/63/02/19/476630219.db2.gz DOKWUPLZPDKEMQ-UHFFFAOYSA-N -2 3 343.412 2.791 20 0 EFADHL CC(C)c1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000365573748 476630229 /nfs/dbraw/zinc/63/02/29/476630229.db2.gz DOKWUPLZPDKEMQ-UHFFFAOYSA-N -2 3 343.412 2.791 20 0 EFADHL CC(F)(F)CCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000389689777 476782732 /nfs/dbraw/zinc/78/27/32/476782732.db2.gz DVCWVQJHNXNFJM-UHFFFAOYSA-N -2 3 341.763 2.752 20 0 EFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000389497716 476783021 /nfs/dbraw/zinc/78/30/21/476783021.db2.gz USLAOOVMJBYVPR-PWSUYJOCSA-N -2 3 349.811 2.791 20 0 EFADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000430383093 476824343 /nfs/dbraw/zinc/82/43/43/476824343.db2.gz BOCPTLWVZREBCC-SNVBAGLBSA-N -2 3 340.228 2.915 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1C ZINC000392462837 476826264 /nfs/dbraw/zinc/82/62/64/476826264.db2.gz OEYXJXAHWZZVAG-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000399432525 476884206 /nfs/dbraw/zinc/88/42/06/476884206.db2.gz INXOCMJQRVZYON-KCJUWKMLSA-N -2 3 337.800 2.503 20 0 EFADHL CCOC(=O)CC1(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2[O-])CC1 ZINC000436479278 477489091 /nfs/dbraw/zinc/48/90/91/477489091.db2.gz UTFRKDJBVPJTFY-UHFFFAOYSA-N -2 3 347.820 2.582 20 0 EFADHL CCC(=O)c1ccc([O-])c(NC(=O)c2csc(=NC3CC3)[n-]2)c1 ZINC000436649529 477544496 /nfs/dbraw/zinc/54/44/96/477544496.db2.gz WZCBJTPSXCISLL-UHFFFAOYSA-N -2 3 331.397 2.690 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000436663114 477549226 /nfs/dbraw/zinc/54/92/26/477549226.db2.gz IIZKUWPEUAIUDT-UHFFFAOYSA-N -2 3 341.772 2.633 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000436662615 477549873 /nfs/dbraw/zinc/54/98/73/477549873.db2.gz GOLRXUZMNXGEIU-UHFFFAOYSA-N -2 3 341.772 2.633 20 0 EFADHL O=C([O-])c1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)ccc1O ZINC000436833674 477606756 /nfs/dbraw/zinc/60/67/56/477606756.db2.gz WTSNFVCYSCQLJX-RVDMUPIBSA-N -2 3 348.358 2.957 20 0 EFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000436894745 477628072 /nfs/dbraw/zinc/62/80/72/477628072.db2.gz RYBRLYRHRARKIW-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL COc1cccc2c(C(=O)Nc3cc(C(C)=O)ccc3[O-])[n-]nc21 ZINC000436973414 477654805 /nfs/dbraw/zinc/65/48/05/477654805.db2.gz STQNYEGZRKNVSL-UHFFFAOYSA-N -2 3 325.324 2.732 20 0 EFADHL Cc1cccc(C)c1CS(=O)(=O)[N-]c1n[n-]c(SC(C)C)n1 ZINC000450973315 477781237 /nfs/dbraw/zinc/78/12/37/477781237.db2.gz SOKRWVIOOJVEME-UHFFFAOYSA-N -2 3 340.474 2.864 20 0 EFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC000516536117 477945988 /nfs/dbraw/zinc/94/59/88/477945988.db2.gz QUXFAQKOIVFDOS-KOLCDFICSA-N -2 3 349.836 2.516 20 0 EFADHL CC[C@@H](CS(=O)(=O)[N-]c1ccc(C[C@H](CC)C(=O)[O-])cc1)OC ZINC000421150389 477983548 /nfs/dbraw/zinc/98/35/48/477983548.db2.gz IMIOZZPQSDNLLR-ZFWWWQNUSA-N -2 3 343.445 2.507 20 0 EFADHL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c(C)cccc1[O-] ZINC000421153898 477985872 /nfs/dbraw/zinc/98/58/72/477985872.db2.gz MNTDXHAUYYHGNG-HNNXBMFYSA-N -2 3 335.425 2.700 20 0 EFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000517821150 478125494 /nfs/dbraw/zinc/12/54/94/478125494.db2.gz RORVTGCYURUJMD-VIFPVBQESA-N -2 3 340.228 2.629 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)c1 ZINC000563708232 478620131 /nfs/dbraw/zinc/62/01/31/478620131.db2.gz NQPNRLVZHYXMRJ-UHFFFAOYSA-N -2 3 337.422 2.804 20 0 EFADHL CCc1cc(=O)[n-]c(CN(CC(=O)[O-])[C@H](CC)c2ccccc2)n1 ZINC000582558126 478629448 /nfs/dbraw/zinc/62/94/48/478629448.db2.gz LOKZMZAVBNYWGA-OAHLLOKOSA-N -2 3 329.400 2.783 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1 ZINC000591830441 478644814 /nfs/dbraw/zinc/64/48/14/478644814.db2.gz OOAZXEDNOBEYEF-UHFFFAOYSA-N -2 3 325.324 2.550 20 0 EFADHL CC1(C)CCC([N-]S(=O)(=O)c2ccc(F)c(F)c2)(C(=O)[O-])CC1 ZINC000542859460 478702085 /nfs/dbraw/zinc/70/20/85/478702085.db2.gz QJFCSHHVIZGQOJ-UHFFFAOYSA-N -2 3 347.383 2.667 20 0 EFADHL CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000573203720 479014174 /nfs/dbraw/zinc/01/41/74/479014174.db2.gz SOASGNOCPCRNAW-NXEZZACHSA-N -2 3 347.408 2.636 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000584110928 479018820 /nfs/dbraw/zinc/01/88/20/479018820.db2.gz BBTYYOIIHJBFFY-UONOGXRCSA-N -2 3 349.408 2.983 20 0 EFADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)CC1(C#N)CCCCC1 ZINC000547546151 479119073 /nfs/dbraw/zinc/11/90/73/479119073.db2.gz TYPPOKCPTWFDGQ-UHFFFAOYSA-N -2 3 336.413 2.909 20 0 EFADHL COC(=O)c1cc(Cl)cc(NC(=O)c2ccc([O-])cc2F)c1[O-] ZINC000588097672 479394394 /nfs/dbraw/zinc/39/43/94/479394394.db2.gz ZDYWZDNIHNTJBR-UHFFFAOYSA-N -2 3 339.706 2.929 20 0 EFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)c[n-]1 ZINC000618906565 479632424 /nfs/dbraw/zinc/63/24/24/479632424.db2.gz NHZMKQJFFQGQEY-UHFFFAOYSA-N -2 3 337.401 2.511 20 0 EFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc(C(C)C)cc2)[n-]1 ZINC000618906565 479632427 /nfs/dbraw/zinc/63/24/27/479632427.db2.gz NHZMKQJFFQGQEY-UHFFFAOYSA-N -2 3 337.401 2.511 20 0 EFADHL COc1ccc([O-])c(C(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000621589058 479711619 /nfs/dbraw/zinc/71/16/19/479711619.db2.gz MHLLVYMDIBXQNN-JKSUJKDBSA-N -2 3 341.363 2.831 20 0 EFADHL COc1ccc([O-])c(C(=O)N2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)c1 ZINC000621589057 479712171 /nfs/dbraw/zinc/71/21/71/479712171.db2.gz MHLLVYMDIBXQNN-HOTGVXAUSA-N -2 3 341.363 2.831 20 0 EFADHL COC(C)(C)c1nc(=NC(=O)c2cc(-c3cccs3)[n-]n2)s[n-]1 ZINC000634154062 480158612 /nfs/dbraw/zinc/15/86/12/480158612.db2.gz XSBUYUBFDFNJFD-UHFFFAOYSA-N -2 3 349.441 2.545 20 0 EFADHL COC(C)(C)c1nc(=NC(=O)c2cc(-c3cccs3)n[n-]2)s[n-]1 ZINC000634154062 480158618 /nfs/dbraw/zinc/15/86/18/480158618.db2.gz XSBUYUBFDFNJFD-UHFFFAOYSA-N -2 3 349.441 2.545 20 0 EFADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)cc1 ZINC000629295243 480203177 /nfs/dbraw/zinc/20/31/77/480203177.db2.gz NPLAXPVUSSCCAE-RISCZKNCSA-N -2 3 341.429 2.574 20 0 EFADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)cc1 ZINC000629295244 480203662 /nfs/dbraw/zinc/20/36/62/480203662.db2.gz NPLAXPVUSSCCAE-SMDDNHRTSA-N -2 3 341.429 2.574 20 0 EFADHL CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000629337117 480222458 /nfs/dbraw/zinc/22/24/58/480222458.db2.gz QZHWJCIKHKWWDW-UHFFFAOYSA-N -2 3 339.360 2.636 20 0 EFADHL CCOc1cc(CN2CC[C@H](C(=O)[O-])[C@@H](C)C2)cc(Cl)c1[O-] ZINC000629772939 480398664 /nfs/dbraw/zinc/39/86/64/480398664.db2.gz ZSQNYIVKBNDXGC-JQWIXIFHSA-N -2 3 327.808 2.987 20 0 EFADHL Cc1ccc(C(=O)N2CCC(c3ncc(C(=O)[O-])s3)CC2)c([O-])c1 ZINC000630246145 480631142 /nfs/dbraw/zinc/63/11/42/480631142.db2.gz QBOSJGCDFGXYEY-UHFFFAOYSA-N -2 3 346.408 2.875 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)CCCC(C)C ZINC000645940337 480980763 /nfs/dbraw/zinc/98/07/63/480980763.db2.gz HGIMSPLPAAATSP-JTQLQIEISA-N -2 3 349.474 2.948 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCC1CCCCC1 ZINC000645951411 480988135 /nfs/dbraw/zinc/98/81/35/480988135.db2.gz BMXRGCRKOYBJGU-UHFFFAOYSA-N -2 3 347.458 2.704 20 0 EFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@@H]3CC[C@H](C(=O)[O-])C3)sc21 ZINC000646040435 481034152 /nfs/dbraw/zinc/03/41/52/481034152.db2.gz YOVBMJIALDHLEF-NWDGAFQWSA-N -2 3 339.438 2.741 20 0 EFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000650425775 481089591 /nfs/dbraw/zinc/08/95/91/481089591.db2.gz QVMFBQBBAIFHSN-SSDOTTSWSA-N -2 3 338.212 2.525 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c1 ZINC000647826671 481127726 /nfs/dbraw/zinc/12/77/26/481127726.db2.gz RSSSVJQWGWOXLK-UHFFFAOYSA-N -2 3 325.324 2.749 20 0 EFADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1 ZINC000647919656 481184138 /nfs/dbraw/zinc/18/41/38/481184138.db2.gz KDAAWNRHIFJYFP-UHFFFAOYSA-N -2 3 345.735 2.684 20 0 EFADHL COc1cccc(C(=O)Nc2c(=O)[nH][n-]c2-c2ccccc2)c1[O-] ZINC000646462074 481312898 /nfs/dbraw/zinc/31/28/98/481312898.db2.gz BSRMFDWSTWGYEW-UHFFFAOYSA-N -2 3 325.324 2.749 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])C(C)C ZINC000647128522 481649830 /nfs/dbraw/zinc/64/98/30/481649830.db2.gz HMANUZXXDKHKGL-NSHDSACASA-N -2 3 349.836 2.759 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1)C(C)C ZINC000647129072 481652884 /nfs/dbraw/zinc/65/28/84/481652884.db2.gz AIHHAJGHRHBOKO-OAHLLOKOSA-N -2 3 343.445 2.507 20 0 EFADHL CC(C)c1cc(C(=O)N[C@]2(C(=O)[O-])CCOC2)c([O-])c(C(C)C)c1 ZINC000663130237 482081232 /nfs/dbraw/zinc/08/12/32/482081232.db2.gz GFUPYPBENHIYMQ-GOSISDBHSA-N -2 3 335.400 2.613 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C)oc1C(=O)[O-] ZINC000663419110 482222712 /nfs/dbraw/zinc/22/27/12/482222712.db2.gz ONTUYRRDTQXPPU-LBPRGKRZSA-N -2 3 337.397 2.504 20 0 EFADHL CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663423134 482225174 /nfs/dbraw/zinc/22/51/74/482225174.db2.gz SKUPVOVGRIIEQO-CYBMUJFWSA-N -2 3 337.397 2.586 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)c2cccc(F)c2)oc1C(=O)[O-] ZINC000663425119 482226513 /nfs/dbraw/zinc/22/65/13/482226513.db2.gz VOWTWVRDTLSVNO-UHFFFAOYSA-N -2 3 341.360 2.639 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC000663428883 482230677 /nfs/dbraw/zinc/23/06/77/482230677.db2.gz YACQYHOBSYKRBS-CHWSQXEVSA-N -2 3 335.381 2.511 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2CCC(C3CCC3)CC2)c1 ZINC000663430525 482230952 /nfs/dbraw/zinc/23/09/52/482230952.db2.gz AAJKYDPYQACERE-UHFFFAOYSA-N -2 3 327.402 2.615 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@]1(C)CC1(C)C ZINC000663450407 482244380 /nfs/dbraw/zinc/24/43/80/482244380.db2.gz YULXZDXYNDEGJY-AWEZNQCLSA-N -2 3 347.820 2.514 20 0 EFADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000035085501 521104260 /nfs/dbraw/zinc/10/42/60/521104260.db2.gz OQGAMUVNIOPMQJ-SNVBAGLBSA-N -2 3 340.228 2.915 20 0 EFADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000262620133 521104640 /nfs/dbraw/zinc/10/46/40/521104640.db2.gz CMRAVGDQLMXSOJ-SSDOTTSWSA-N -2 3 345.364 2.689 20 0 EFADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc([O-])c1Br ZINC000263017496 524566249 /nfs/dbraw/zinc/56/62/49/524566249.db2.gz DFOJICUICNILJU-MWLCHTKSSA-N -2 3 328.206 2.840 20 0 EFADHL Cc1ccc(-c2cc(C(=O)Nc3ccccc3CC(=O)[O-])n[n-]2)o1 ZINC000178171304 525729355 /nfs/dbraw/zinc/72/93/55/525729355.db2.gz SGQCWZIHJHBQRX-UHFFFAOYSA-N -2 3 325.324 2.858 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)c1 ZINC000088720180 526407411 /nfs/dbraw/zinc/40/74/11/526407411.db2.gz PHOYORVRWNMCGH-UHFFFAOYSA-N -2 3 337.300 2.664 20 0 EFADHL COc1ccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC000263407659 536755157 /nfs/dbraw/zinc/75/51/57/536755157.db2.gz IDDFOFBSCNRGCS-AWEZNQCLSA-N -2 3 343.379 2.607 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc(C(=O)[O-])c1 ZINC000350473907 546026486 /nfs/dbraw/zinc/02/64/86/546026486.db2.gz GNCBGTOSMXEGAZ-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL CC(C)NC(=O)Nc1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000351866680 546044748 /nfs/dbraw/zinc/04/47/48/546044748.db2.gz VAWOAHKBIOSXGD-UHFFFAOYSA-N -2 3 338.367 2.826 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C2CCC3(CC3(F)F)CC2)cc1C(=O)[O-] ZINC000656729464 546902825 /nfs/dbraw/zinc/90/28/25/546902825.db2.gz WMTQEOGBGJJZOW-UHFFFAOYSA-N -2 3 349.355 2.533 20 0 EFADHL COc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OC(F)F ZINC000670370076 547473674 /nfs/dbraw/zinc/47/36/74/547473674.db2.gz VJBAQKXAFFXPBO-HYXAFXHYSA-N -2 3 338.266 2.661 20 0 EFADHL COc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OC(F)F ZINC000670370180 547473785 /nfs/dbraw/zinc/47/37/85/547473785.db2.gz JVJBJIPOTINUMM-HWKANZROSA-N -2 3 338.266 2.661 20 0 EFADHL CCCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000670370003 547474081 /nfs/dbraw/zinc/47/40/81/547474081.db2.gz PYLBFXGWYANMBH-ALCCZGGFSA-N -2 3 330.340 2.848 20 0 EFADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1O ZINC000680809587 549391203 /nfs/dbraw/zinc/39/12/03/549391203.db2.gz IXCINEKFXCTHKB-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000760104693 575980451 /nfs/dbraw/zinc/98/04/51/575980451.db2.gz YWSXEODJQWPPNK-UHFFFAOYSA-N -2 3 337.800 2.793 20 0 EFADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000761749950 576208370 /nfs/dbraw/zinc/20/83/70/576208370.db2.gz ZMGKFDFDBSLZIG-UHFFFAOYSA-N -2 3 347.346 2.878 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]C(=O)c2scnc2Br)c1 ZINC000761804579 576213614 /nfs/dbraw/zinc/21/36/14/576213614.db2.gz VWKSQEKPNVTXOJ-UHFFFAOYSA-N -2 3 345.149 2.995 20 0 EFADHL COCc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000766571082 577167735 /nfs/dbraw/zinc/16/77/35/577167735.db2.gz HDHJRSACFXCDGP-UHFFFAOYSA-N -2 3 349.408 2.949 20 0 EFADHL CN(CC(=O)[O-])Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000737988284 577225694 /nfs/dbraw/zinc/22/56/94/577225694.db2.gz GSLUDOZSGBENGH-UHFFFAOYSA-N -2 3 329.381 2.580 20 0 EFADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC000768054550 577251781 /nfs/dbraw/zinc/25/17/81/577251781.db2.gz JGCANMZONYRMKZ-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL COc1cccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1F ZINC000769889328 577391641 /nfs/dbraw/zinc/39/16/41/577391641.db2.gz ILUIETYIJOEMCT-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL C[C@H](CN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC000736568571 599739201 /nfs/dbraw/zinc/73/92/01/599739201.db2.gz FBMBCLFOEJDGDL-CQSZACIVSA-N -2 3 341.407 2.970 20 0 EFADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000739594474 599740523 /nfs/dbraw/zinc/74/05/23/599740523.db2.gz UTHRSRZTEDMUBX-MRXNPFEDSA-N -2 3 339.391 2.724 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3c2cccc3Cl)o1 ZINC000740175079 599774788 /nfs/dbraw/zinc/77/47/88/599774788.db2.gz DAKWUFQPJRBBKD-NSHDSACASA-N -2 3 341.772 2.597 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3cc(Cl)ccc32)o1 ZINC000740175300 599774795 /nfs/dbraw/zinc/77/47/95/599774795.db2.gz MPVKGISHXNELSE-LLVKDONJSA-N -2 3 341.772 2.597 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)o1 ZINC000740176911 599774833 /nfs/dbraw/zinc/77/48/33/599774833.db2.gz ZEZFQHCGIYKMLP-UHFFFAOYSA-N -2 3 331.349 2.610 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)o1 ZINC000740175689 599777361 /nfs/dbraw/zinc/77/73/61/599777361.db2.gz UFSVGLREQXWFEC-UHFFFAOYSA-N -2 3 343.788 2.542 20 0 EFADHL CC(C)CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736427806 599777876 /nfs/dbraw/zinc/77/78/76/599777876.db2.gz UXIHWWDPRFSDSX-RYUDHWBXSA-N -2 3 329.418 2.861 20 0 EFADHL CCN1CCc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc21 ZINC000737122980 599801798 /nfs/dbraw/zinc/80/17/98/599801798.db2.gz OFJURXADAPQNLC-UHFFFAOYSA-N -2 3 346.408 2.568 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000392496068 599852844 /nfs/dbraw/zinc/85/28/44/599852844.db2.gz DARVQFCFQIVKFU-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)[O-])c3)ccc2O1 ZINC000736826569 599938834 /nfs/dbraw/zinc/93/88/34/599938834.db2.gz VJYDZNRUQZVAMX-SNVBAGLBSA-N -2 3 348.380 2.901 20 0 EFADHL CC(C)c1nc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cs1 ZINC000736526480 600539104 /nfs/dbraw/zinc/53/91/04/600539104.db2.gz WPDRHYYURVELTC-UHFFFAOYSA-N -2 3 340.430 2.778 20 0 EFADHL O=C([O-])CCc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000036238871 600631359 /nfs/dbraw/zinc/63/13/59/600631359.db2.gz BWIGKLNXKSPMNY-UHFFFAOYSA-N -2 3 329.740 2.600 20 0 EFADHL O=C([O-])CCc1nnc([N-]C(=O)c2ccc(Cl)nc2Cl)s1 ZINC000739778656 600632042 /nfs/dbraw/zinc/63/20/42/600632042.db2.gz XKKNBSPQIZXWQK-UHFFFAOYSA-N -2 3 347.183 2.509 20 0 EFADHL COC(=O)Nc1ccc(C(=O)O[C@H](C(=O)[O-])c2ccccc2)cc1[O-] ZINC000831209756 600730202 /nfs/dbraw/zinc/73/02/02/600730202.db2.gz JPBUNZUFLGNEFE-AWEZNQCLSA-N -2 3 345.307 2.553 20 0 EFADHL COC(=O)Nc1ccc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc1[O-] ZINC000831210080 600731357 /nfs/dbraw/zinc/73/13/57/600731357.db2.gz KSEMPPBMVZDUOC-MRVPVSSYSA-N -2 3 349.295 2.780 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccnc2Cl)c1 ZINC000740075276 600887659 /nfs/dbraw/zinc/88/76/59/600887659.db2.gz HMVSPOSQNFLSBH-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL O=C([O-])[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000327621367 601072008 /nfs/dbraw/zinc/07/20/08/601072008.db2.gz OHGRUVLXHKGYRM-CQSZACIVSA-N -2 3 336.347 2.539 20 0 EFADHL CC(C)CC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000314280417 601227764 /nfs/dbraw/zinc/22/77/64/601227764.db2.gz VXRZBDASPGWBKV-VIFPVBQESA-N -2 3 335.372 2.766 20 0 EFADHL C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320588642 601232374 /nfs/dbraw/zinc/23/23/74/601232374.db2.gz WLZHBBPTLBRIQQ-VHSXEESVSA-N -2 3 347.383 2.768 20 0 EFADHL CC1CCC(C)([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000828213922 601233453 /nfs/dbraw/zinc/23/34/53/601233453.db2.gz GGTLWWAYQFRVOV-UHFFFAOYSA-N -2 3 347.383 2.910 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCCC1 ZINC000315968794 601235664 /nfs/dbraw/zinc/23/56/64/601235664.db2.gz MMJPNSZIXDJBTN-MRVPVSSYSA-N -2 3 333.356 2.520 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCCCC1 ZINC000321517399 601237635 /nfs/dbraw/zinc/23/76/35/601237635.db2.gz GRGSQGLMOLECEK-SECBINFHSA-N -2 3 347.383 2.910 20 0 EFADHL CC1(C)CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000321868912 601237813 /nfs/dbraw/zinc/23/78/13/601237813.db2.gz NZUZJWYLCXUQSW-UHFFFAOYSA-N -2 3 347.383 2.910 20 0 EFADHL CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000391285133 601238105 /nfs/dbraw/zinc/23/81/05/601238105.db2.gz OYUDSXFKGJRMJG-NXEZZACHSA-N -2 3 347.383 2.910 20 0 EFADHL O=C([O-])c1cc([N-]C(=O)c2cc(-c3ccccn3)no2)c(F)cc1F ZINC000833152196 601269165 /nfs/dbraw/zinc/26/91/65/601269165.db2.gz VDQVQTDLSHSQFZ-UHFFFAOYSA-N -2 3 345.261 2.965 20 0 EFADHL Cc1nc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)sc1C(=O)[O-] ZINC000833002443 601383294 /nfs/dbraw/zinc/38/32/94/601383294.db2.gz ZENHUICPGDKRLW-UHFFFAOYSA-N -2 3 348.380 2.821 20 0 EFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000137203313 601574345 /nfs/dbraw/zinc/57/43/45/601574345.db2.gz JBUWCROYBSEZSM-JTQLQIEISA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])CN(Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1)C1CC1 ZINC000738608774 601579857 /nfs/dbraw/zinc/57/98/57/601579857.db2.gz IAMUAPPBABBGEG-UHFFFAOYSA-N -2 3 345.380 2.706 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc(F)c1F ZINC000080307940 601830066 /nfs/dbraw/zinc/83/00/66/601830066.db2.gz QOEBJYHTFBRRDP-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL O=C([O-])[C@@H]1CCCCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000833132276 602056749 /nfs/dbraw/zinc/05/67/49/602056749.db2.gz ZQXNENVHNOJDHC-UKRRQHHQSA-N -2 3 342.395 2.682 20 0 EFADHL Cc1ccc(-c2nc(NC(=O)CCc3ccc(C(=O)[O-])cc3)n[n-]2)o1 ZINC000832908466 602144191 /nfs/dbraw/zinc/14/41/91/602144191.db2.gz YYPALTPIEDQIOF-UHFFFAOYSA-N -2 3 340.339 2.643 20 0 EFADHL O=C([O-])c1csc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)c1 ZINC000833343478 604317117 /nfs/dbraw/zinc/31/71/17/604317117.db2.gz GVFKZBPSNMXUCK-UHFFFAOYSA-N -2 3 333.300 2.888 20 0 EFADHL O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(O)cc1[O-] ZINC000833226701 604394852 /nfs/dbraw/zinc/39/48/52/604394852.db2.gz XMVLSJVOJPFOHS-UHFFFAOYSA-N -2 3 329.352 2.605 20 0 EFADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000389733550 604555142 /nfs/dbraw/zinc/55/51/42/604555142.db2.gz MPKXCJRQNRTSOD-QMMMGPOBSA-N -2 3 333.356 2.520 20 0 EFADHL Cc1ccc(-c2nc(NC(=O)c3ccc(NC(=O)[O-])cc3)n[n-]2)o1 ZINC000830160302 604585620 /nfs/dbraw/zinc/58/56/20/604585620.db2.gz PRFDPYVMWOQTHF-UHFFFAOYSA-N -2 3 327.300 2.715 20 0 EFADHL C[C@@]1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000833569501 604809024 /nfs/dbraw/zinc/80/90/24/604809024.db2.gz LUADGCOYAJTKHH-IINYFYTJSA-N -2 3 349.811 2.791 20 0 EFADHL CC(C)(C(=O)[O-])[C@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000391164728 604942999 /nfs/dbraw/zinc/94/29/99/604942999.db2.gz CULDCVPFMZWGLZ-JTQLQIEISA-N -2 3 335.429 2.720 20 0 EFADHL CC(C)CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833481469 605024614 /nfs/dbraw/zinc/02/46/14/605024614.db2.gz VCTCUJDTRYZEAV-QWRGUYRKSA-N -2 3 346.474 2.725 20 0 EFADHL Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826289011 608107775 /nfs/dbraw/zinc/10/77/75/608107775.db2.gz GUPGEJWGTQWKHS-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC000826291505 609524530 /nfs/dbraw/zinc/52/45/30/609524530.db2.gz JHRGCAKDKXBDMQ-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC000826291505 609524532 /nfs/dbraw/zinc/52/45/32/609524532.db2.gz JHRGCAKDKXBDMQ-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL O=C([O-])C1([N-]C(=O)C(F)(F)c2ccc(Br)cc2)CCC1 ZINC000851601728 1251121972 /nfs/dbraw/zinc/12/19/72/1251121972.db2.gz UHPHWZSMPWDFNP-UHFFFAOYSA-N -2 3 348.143 2.664 20 0 EFADHL C[C@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000700690812 1269413145 /nfs/dbraw/zinc/41/31/45/1269413145.db2.gz ZKMWFRNQNIRZGN-RISCZKNCSA-N -2 3 342.189 2.528 20 0 EFADHL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2ccc(Cl)c([O-])c2)cc1 ZINC001212591426 1273007720 /nfs/dbraw/zinc/00/77/20/1273007720.db2.gz MGUWVQORPQRFFZ-UHFFFAOYSA-N -2 3 340.788 2.614 20 0 EFADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000793344080 1279534663 /nfs/dbraw/zinc/53/46/63/1279534663.db2.gz OUAMAUVALWUGGM-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc(C(=O)[O-])c1Cl ZINC000871963218 1287376834 /nfs/dbraw/zinc/37/68/34/1287376834.db2.gz MHNSKDNHQQLRDM-ZCFIWIBFSA-N -2 3 345.726 2.576 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)ccc1N ZINC001175319367 1287401897 /nfs/dbraw/zinc/40/18/97/1287401897.db2.gz VAOZOXHOZAGZPN-UHFFFAOYSA-N -2 3 340.788 2.730 20 0 EFADHL Cc1cc(F)cc2c(=O)c(C(=O)Nc3nc(Cl)ccc3[O-])c[n-]c12 ZINC000804614462 1280313898 /nfs/dbraw/zinc/31/38/98/1280313898.db2.gz NLDALIUHUQEHEV-UHFFFAOYSA-N -2 3 347.733 2.982 20 0 EFADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCCCC1 ZINC000811682296 1284509107 /nfs/dbraw/zinc/50/91/07/1284509107.db2.gz VQBLRIQIPNMYTQ-UHFFFAOYSA-N -2 3 347.383 2.912 20 0 EFADHL O=c1[n-]cncc1-c1nc(-c2ccc3[n-]c(=S)sc3c2)no1 ZINC001212754622 1286770777 /nfs/dbraw/zinc/77/07/77/1286770777.db2.gz GJLLTFOVDWINCL-UHFFFAOYSA-N -2 3 329.366 2.798 20 0 EFADHL CCC(CC)(C(=O)NCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001181158361 1289725976 /nfs/dbraw/zinc/72/59/76/1289725976.db2.gz CYUPWFGQBMFXEJ-UHFFFAOYSA-N -2 3 327.361 2.819 20 0 EFADHL CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCCCCP(=O)([O-])[O-] ZINC001182148928 1290095459 /nfs/dbraw/zinc/09/54/59/1290095459.db2.gz CAATYUSRFJGYMH-QLFBSQMISA-N -2 3 349.408 2.538 20 0 EFADHL O=C(NCCCCP(=O)([O-])[O-])C1(c2cccc(Cl)c2)CCC1 ZINC001182255686 1290131836 /nfs/dbraw/zinc/13/18/36/1290131836.db2.gz NIPCQMYZYLNHNM-UHFFFAOYSA-N -2 3 345.763 2.836 20 0 EFADHL O=S(=O)([N-][C@@H]1[CH]CC=C1)c1ccc(Br)cc1Cl ZINC001184826463 1290533695 /nfs/dbraw/zinc/53/36/95/1290533695.db2.gz UZGIGEJTCHUPEZ-VIFPVBQESA-N -2 3 335.630 2.914 20 0 EFADHL CCOCCS(=O)(=O)[N-]c1c([O-])cc(C(F)(F)F)cc1Cl ZINC001187285952 1291137983 /nfs/dbraw/zinc/13/79/83/1291137983.db2.gz AXCRHKUONIHDKP-UHFFFAOYSA-N -2 3 347.742 2.843 20 0 EFADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)c1 ZINC001187581003 1291198958 /nfs/dbraw/zinc/19/89/58/1291198958.db2.gz DTZPJZNQYJWCAO-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL N=C([N-]C(=O)c1[n-]nnc1C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC001187770868 1291219791 /nfs/dbraw/zinc/21/97/91/1291219791.db2.gz SKKQAZRLNHUZOV-UHFFFAOYSA-N -2 3 341.337 2.747 20 0 EFADHL O=C(Nc1ccc2[n-]c(=S)sc2c1)c1[n-]nnc1C(F)(F)F ZINC001187766016 1291234127 /nfs/dbraw/zinc/23/41/27/1291234127.db2.gz BKDKZLRCPBOXQB-UHFFFAOYSA-N -2 3 345.331 2.974 20 0 EFADHL O=C(Nc1ccc2[n-]c(=S)sc2c1)c1nn[n-]c1C(F)(F)F ZINC001187766016 1291234134 /nfs/dbraw/zinc/23/41/34/1291234134.db2.gz BKDKZLRCPBOXQB-UHFFFAOYSA-N -2 3 345.331 2.974 20 0 EFADHL COc1ccc(C(F)(F)F)cc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001190227236 1292053709 /nfs/dbraw/zinc/05/37/09/1292053709.db2.gz SSJATAJVIKITFZ-UHFFFAOYSA-N -2 3 348.302 2.615 20 0 EFADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cc(F)cc(F)c1F ZINC001190359864 1292135619 /nfs/dbraw/zinc/13/56/19/1292135619.db2.gz LOJGRCCDVOPNRT-UHFFFAOYSA-N -2 3 338.694 2.659 20 0 EFADHL O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccnc(C3CC3)c2)cc1 ZINC001192114455 1292780079 /nfs/dbraw/zinc/78/00/79/1292780079.db2.gz ZPCMFGGLAMLNDR-UHFFFAOYSA-N -2 3 346.408 2.777 20 0 EFADHL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1cc2ccccc2cc1[O-] ZINC001193058109 1293163029 /nfs/dbraw/zinc/16/30/29/1293163029.db2.gz PUKIPHAEEUTKOZ-UHFFFAOYSA-N -2 3 337.397 2.629 20 0 EFADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)CC2CCC2)c([O-])c1 ZINC001193523336 1293345190 /nfs/dbraw/zinc/34/51/90/1293345190.db2.gz ABVDVHGMXXNELD-UHFFFAOYSA-N -2 3 341.429 2.889 20 0 EFADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC001194099333 1293532457 /nfs/dbraw/zinc/53/24/57/1293532457.db2.gz KQVCEEJNIBSXKM-UHFFFAOYSA-N -2 3 346.364 2.678 20 0 EFADHL CC[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccc(Br)cc1 ZINC001233940255 1313022416 /nfs/dbraw/zinc/02/24/16/1313022416.db2.gz UYELUPRWIREHMZ-NSHDSACASA-N -2 3 349.188 2.939 20 0 EFADHL CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195255111 1293863536 /nfs/dbraw/zinc/86/35/36/1293863536.db2.gz SSISJNRXKZWLHJ-IUCAKERBSA-N -2 3 335.372 2.766 20 0 EFADHL O=C(Nc1c(Cl)ccc([O-])c1Cl)c1c[nH]c(=S)[n-]c1=O ZINC001196019807 1294107822 /nfs/dbraw/zinc/10/78/22/1294107822.db2.gz FKAJAZPSRCBDMW-UHFFFAOYSA-N -2 3 332.168 2.736 20 0 EFADHL COC(=O)c1ccc([O-])cc1NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC001197119212 1294463274 /nfs/dbraw/zinc/46/32/74/1294463274.db2.gz FLYQEJVLAQBSQJ-UHFFFAOYSA-N -2 3 346.364 2.686 20 0 EFADHL O=S(=O)(Cc1cccnc1)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC001197458000 1294570774 /nfs/dbraw/zinc/57/07/74/1294570774.db2.gz NIPXNXSEERSZKM-UHFFFAOYSA-N -2 3 332.303 2.748 20 0 EFADHL O=S(=O)(Cc1ccccn1)[N-]c1ccc(C(F)(F)F)cc1[O-] ZINC001197820917 1294750529 /nfs/dbraw/zinc/75/05/29/1294750529.db2.gz ALOBONQOILHWOH-UHFFFAOYSA-N -2 3 332.303 2.748 20 0 EFADHL COC(=O)c1nc2nc(-c3ccc(Cl)c(C(=O)[O-])c3F)ccc2[n-]1 ZINC001236163472 1313449692 /nfs/dbraw/zinc/44/96/92/1313449692.db2.gz CXZZHJGHWPYKEC-UHFFFAOYSA-N -2 3 349.705 2.854 20 0 EFADHL COC(=O)c1nc2ccc(-c3ccc(Cl)c(C(=O)[O-])c3F)[n-]c-2n1 ZINC001236163472 1313449695 /nfs/dbraw/zinc/44/96/95/1313449695.db2.gz CXZZHJGHWPYKEC-UHFFFAOYSA-N -2 3 349.705 2.854 20 0 EFADHL Cc1nc(C=Cc2ccc(Cl)nc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000794712501 1303037217 /nfs/dbraw/zinc/03/72/17/1303037217.db2.gz JCJVFJNOCYRSIX-HWKANZROSA-N -2 3 340.166 2.990 20 0 EFADHL O=C1[N-]S(=O)(=O)c2cc(-c3ccc([O-])c(C(F)(F)F)c3)ccc21 ZINC001242161798 1314186876 /nfs/dbraw/zinc/18/68/76/1314186876.db2.gz DTGKGXNAJMTNPL-UHFFFAOYSA-N -2 3 343.282 2.510 20 0 EFADHL COc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1CN(C)C ZINC001242163346 1314187259 /nfs/dbraw/zinc/18/72/59/1314187259.db2.gz VCOSCHQKIVIFJT-UHFFFAOYSA-N -2 3 329.352 2.820 20 0 EFADHL O=C([O-])c1ccc(-c2cncc(-c3nnn[n-]3)c2)cc1C(F)(F)F ZINC001243155857 1314266539 /nfs/dbraw/zinc/26/65/39/1314266539.db2.gz BNEPNDDAMNNUJT-UHFFFAOYSA-N -2 3 335.245 2.646 20 0 EFADHL O=C([O-])c1ccc(-c2cncc(-c3nn[n-]n3)c2)cc1C(F)(F)F ZINC001243155857 1314266541 /nfs/dbraw/zinc/26/65/41/1314266541.db2.gz BNEPNDDAMNNUJT-UHFFFAOYSA-N -2 3 335.245 2.646 20 0 EFADHL O=C([O-])C1CCN(C(=O)c2ccc(-c3ccc(=O)[n-]c3F)cc2)CC1 ZINC000901028315 1309231694 /nfs/dbraw/zinc/23/16/94/1309231694.db2.gz MJPBRDMLAZSGGC-UHFFFAOYSA-N -2 3 344.342 2.530 20 0 EFADHL CN1CCN(c2cccc(-c3c(C(=O)[O-])cccc3C(=O)[O-])c2)CC1 ZINC001243668615 1314311566 /nfs/dbraw/zinc/31/15/66/1314311566.db2.gz JKCIHBRPTXNLJK-UHFFFAOYSA-N -2 3 340.379 2.502 20 0 EFADHL COc1ccc(-c2nnn[n-]2)cc1-c1c(F)cc(C(=O)[O-])cc1F ZINC001222411788 1311126765 /nfs/dbraw/zinc/12/67/65/1311126765.db2.gz BFUJCTRPUTYJRX-UHFFFAOYSA-N -2 3 332.266 2.519 20 0 EFADHL COc1ccc(-c2nn[n-]n2)cc1-c1c(F)cc(C(=O)[O-])cc1F ZINC001222411788 1311126768 /nfs/dbraw/zinc/12/67/68/1311126768.db2.gz BFUJCTRPUTYJRX-UHFFFAOYSA-N -2 3 332.266 2.519 20 0 EFADHL O=C([O-])c1cc(-c2cncc(-c3nnn[n-]3)c2)cc(C(F)(F)F)c1 ZINC001222615007 1311161279 /nfs/dbraw/zinc/16/12/79/1311161279.db2.gz VPVDNWNTWGEYPJ-UHFFFAOYSA-N -2 3 335.245 2.646 20 0 EFADHL O=C([O-])c1cc(-c2cncc(-c3nn[n-]n3)c2)cc(C(F)(F)F)c1 ZINC001222615007 1311161281 /nfs/dbraw/zinc/16/12/81/1311161281.db2.gz VPVDNWNTWGEYPJ-UHFFFAOYSA-N -2 3 335.245 2.646 20 0 EFADHL Cn1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(C2CCCC2)n1 ZINC000901906531 1311179016 /nfs/dbraw/zinc/17/90/16/1311179016.db2.gz SGFXHPSTADGDEG-UHFFFAOYSA-N -2 3 339.392 2.723 20 0 EFADHL CC(C)(C)OC(=O)N1CC[C@H](OCCP(=O)([O-])[O-])CC12CCC2 ZINC001224606309 1311412329 /nfs/dbraw/zinc/41/23/29/1311412329.db2.gz NVBKDCLUPQEHIW-LBPRGKRZSA-N -2 3 349.364 2.503 20 0 EFADHL COC(=O)[C@@H](OCCCCP(=O)([O-])[O-])c1cccc(Cl)c1 ZINC001225018612 1311464287 /nfs/dbraw/zinc/46/42/87/1311464287.db2.gz CGVPZSKUXDEGPZ-LBPRGKRZSA-N -2 3 336.708 2.529 20 0 EFADHL CCN(CC)C(=O)[C@H](OCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001225018770 1311464458 /nfs/dbraw/zinc/46/44/58/1311464458.db2.gz HJIKGWJELAZOSR-OAHLLOKOSA-N -2 3 343.360 2.571 20 0 EFADHL O=P([O-])([O-])CCCCOC[C@@H]1CCC(c2ccccc2)=NO1 ZINC001225020025 1311464831 /nfs/dbraw/zinc/46/48/31/1311464831.db2.gz IEJWWRAOJUBERQ-AWEZNQCLSA-N -2 3 327.317 2.544 20 0 EFADHL COC(=O)[C@H](OCCCCP(=O)([O-])[O-])c1ccccc1Cl ZINC001225019079 1311464926 /nfs/dbraw/zinc/46/49/26/1311464926.db2.gz QPVQHRLVDUGIBB-GFCCVEGCSA-N -2 3 336.708 2.529 20 0 EFADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1cccc(Br)n1 ZINC001225022752 1311465779 /nfs/dbraw/zinc/46/57/79/1311465779.db2.gz RPNFHPMGBLJWEV-SECBINFHSA-N -2 3 338.138 2.880 20 0 EFADHL O=C(c1ccco1)[C@H](OCCCCP(=O)([O-])[O-])c1ccco1 ZINC001225022007 1311465816 /nfs/dbraw/zinc/46/58/16/1311465816.db2.gz LIGCRIPALWKDRP-CQSZACIVSA-N -2 3 328.257 2.771 20 0 EFADHL [S-]c1[n-]c(O[C@H]2C[C@@H](OCc3ccccc3)C2)nc2ncnc1-2 ZINC001226786819 1311723405 /nfs/dbraw/zinc/72/34/05/1311723405.db2.gz SGCXKHUFEFGXMW-TXEJJXNPSA-N -2 3 328.397 2.768 20 0 EFADHL C[C@H]1CCC[C@@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C1 ZINC001227595093 1311825989 /nfs/dbraw/zinc/82/59/89/1311825989.db2.gz VGBCPWADOKYNHJ-NKWVEPMBSA-N -2 3 327.182 2.779 20 0 EFADHL C[C@H]1CCCC[C@@H]1Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227593259 1311826009 /nfs/dbraw/zinc/82/60/09/1311826009.db2.gz DHGFTBFZAQSTCD-BQBZGAKWSA-N -2 3 327.182 2.779 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1OC1CCC(=O)CC1 ZINC001228119009 1311901872 /nfs/dbraw/zinc/90/18/72/1311901872.db2.gz AQBDXANHWVPSPO-UHFFFAOYSA-N -2 3 342.347 2.925 20 0 EFADHL C[C@H]1CC[C@@H](COc2cc([O-])ccc2C(=O)c2ccc(O)cc2[O-])O1 ZINC001228119301 1311901952 /nfs/dbraw/zinc/90/19/52/1311901952.db2.gz GGAUDIDCLQHRCT-FZMZJTMJSA-N -2 3 344.363 2.981 20 0 EFADHL CCO[C@@H](C)COc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121716 1311902494 /nfs/dbraw/zinc/90/24/94/1311902494.db2.gz GYIKLHRATIIAHH-NSHDSACASA-N -2 3 332.352 2.838 20 0 EFADHL C[C@H]1C[C@@H](Oc2cc([O-])ccc2C(=O)c2ccc(O)cc2[O-])CCO1 ZINC001228121578 1311902794 /nfs/dbraw/zinc/90/27/94/1311902794.db2.gz FKDVZNSJJSRKDO-FZMZJTMJSA-N -2 3 344.363 2.981 20 0 EFADHL C[C@@H](CON)Oc1c(-c2ccccc2)oc2cc([O-])cc([O-])c2c1=O ZINC001229775430 1312137337 /nfs/dbraw/zinc/13/73/37/1312137337.db2.gz YINYDBKOYCQJCD-JTQLQIEISA-N -2 3 343.335 2.529 20 0 EFADHL O=c1cc(-c2ccc(Br)cc2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245912537 1314548566 /nfs/dbraw/zinc/54/85/66/1314548566.db2.gz IHELETNQRBZHLX-UHFFFAOYSA-N -2 3 333.145 2.503 20 0 EFADHL Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(Cl)c([O-])c1F ZINC001214806236 1314739851 /nfs/dbraw/zinc/73/98/51/1314739851.db2.gz ARQMPDDCAWVPQO-UHFFFAOYSA-N -2 3 334.731 2.707 20 0 EFADHL CSc1ccccc1[N-]C(=S)Nc1cc(=O)[n-]c(N(C)C)n1 ZINC001249688963 1315123180 /nfs/dbraw/zinc/12/31/80/1315123180.db2.gz PMLIFXQSXOIUTD-UHFFFAOYSA-N -2 3 335.458 2.779 20 0 EFADHL CCCCc1ccc(NC(=S)NCCP(=O)([O-])[O-])c(C)c1 ZINC001249818849 1315141330 /nfs/dbraw/zinc/14/13/30/1315141330.db2.gz SJTFBXCDOCYHSX-UHFFFAOYSA-N -2 3 330.390 2.802 20 0 EFADHL O=c1ccn(-c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc2)[n-]1 ZINC001255661086 1315854056 /nfs/dbraw/zinc/85/40/56/1315854056.db2.gz HZIDKFYIGRKGOX-UHFFFAOYSA-N -2 3 333.344 2.518 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2CCC2)c(F)cc1Cl ZINC001259222949 1316221938 /nfs/dbraw/zinc/22/19/38/1316221938.db2.gz JRGSULGMCJLUBX-UHFFFAOYSA-N -2 3 335.784 2.646 20 0 EFADHL COC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259619869 1316263438 /nfs/dbraw/zinc/26/34/38/1316263438.db2.gz NAFDSJZMNNKECY-UHFFFAOYSA-N -2 3 327.402 2.501 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc([O-])c(Cl)cc2F)c1 ZINC001260189685 1316321169 /nfs/dbraw/zinc/32/11/69/1316321169.db2.gz WXPDQFDWOUIAEZ-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL Cc1cc2cc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)ccc2o1 ZINC001260399972 1316337286 /nfs/dbraw/zinc/33/72/86/1316337286.db2.gz KMWCWZDJMUGSNZ-UHFFFAOYSA-N -2 3 347.348 2.946 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc([S-])c(OC)c2)cc1F ZINC001260662480 1316356479 /nfs/dbraw/zinc/35/64/79/1316356479.db2.gz HZAXWENMEQVULU-UHFFFAOYSA-N -2 3 343.401 2.932 20 0 EFADHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260869078 1316374760 /nfs/dbraw/zinc/37/47/60/1316374760.db2.gz YVEGIUQAXKBXHP-UHFFFAOYSA-N -3 3 335.168 2.600 20 0 EFADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(F)c(C(F)(F)F)c1 ZINC001261014612 1316384754 /nfs/dbraw/zinc/38/47/54/1316384754.db2.gz MQYYOGIZUHINBA-UHFFFAOYSA-N -2 3 336.266 2.746 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCC(F)F)cc(F)c1Cl ZINC001350648488 1333108417 /nfs/dbraw/zinc/10/84/17/1333108417.db2.gz XEZHNZFBMUZTDZ-UHFFFAOYSA-N -2 3 345.726 2.501 20 0 EFADHL O=C(c1cc2sccc2c([O-])c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000847079391 1333314034 /nfs/dbraw/zinc/31/40/34/1333314034.db2.gz KGMYOITWQRXOAK-VIFPVBQESA-N -2 3 345.380 2.715 20 0 EFADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1cc(Cl)ccc1[O-] ZINC000737853382 1426064977 /nfs/dbraw/zinc/06/49/77/1426064977.db2.gz LASWBXYFRAPJQB-UHFFFAOYSA-N -2 3 343.774 2.797 20 0 EFADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1cc(Cl)ccc1[O-] ZINC000737853382 1426064983 /nfs/dbraw/zinc/06/49/83/1426064983.db2.gz LASWBXYFRAPJQB-UHFFFAOYSA-N -2 3 343.774 2.797 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@@H](c2nnn[n-]2)c2ccccc2)c([O-])c1 ZINC001557722739 1415139978 /nfs/dbraw/zinc/13/99/78/1415139978.db2.gz ISFXURMHCRWACX-MRXNPFEDSA-N -2 3 337.383 2.548 20 0 EFADHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c1 ZINC000737326906 1429664031 /nfs/dbraw/zinc/66/40/31/1429664031.db2.gz UKIJWWNSOIGHJS-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c1 ZINC000737326906 1429664034 /nfs/dbraw/zinc/66/40/34/1429664034.db2.gz UKIJWWNSOIGHJS-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000737852195 1429668067 /nfs/dbraw/zinc/66/80/67/1429668067.db2.gz DLSMBUATEQIZFB-UHFFFAOYSA-N -2 3 343.774 2.797 20 0 EFADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)Nc1ccc([O-])c(Cl)c1 ZINC000737852195 1429668074 /nfs/dbraw/zinc/66/80/74/1429668074.db2.gz DLSMBUATEQIZFB-UHFFFAOYSA-N -2 3 343.774 2.797 20 0 EFADHL CCCCc1nnc([N-]C(=O)c2ccc(-c3nn[n-]n3)cc2C)s1 ZINC000825296256 1423896097 /nfs/dbraw/zinc/89/60/97/1423896097.db2.gz AQLHTLUVICPDSH-UHFFFAOYSA-N -2 3 343.416 2.622 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c(C)c1 ZINC000074803993 1424118748 /nfs/dbraw/zinc/11/87/48/1424118748.db2.gz LWPSQIJRJHBLOV-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c(C)c1 ZINC000074803993 1424118758 /nfs/dbraw/zinc/11/87/58/1424118758.db2.gz LWPSQIJRJHBLOV-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL CC(=CC(=O)[N-]c1ncc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000819764579 1424501525 /nfs/dbraw/zinc/50/15/25/1424501525.db2.gz KHRQLHSZPIQBEG-SOFGYWHQSA-N -2 3 330.348 2.504 20 0 EFADHL CC(=CC(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000819764579 1424501528 /nfs/dbraw/zinc/50/15/28/1424501528.db2.gz KHRQLHSZPIQBEG-SOFGYWHQSA-N -2 3 330.348 2.504 20 0 EFADHL CCCc1csc([N-]C(=O)CCc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000825348432 1425064263 /nfs/dbraw/zinc/06/42/63/1425064263.db2.gz KHHOLZPASPAIQA-UHFFFAOYSA-N -2 3 342.428 2.847 20 0 EFADHL CCCc1csc([N-]C(=O)CCc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000825348432 1425064272 /nfs/dbraw/zinc/06/42/72/1425064272.db2.gz KHHOLZPASPAIQA-UHFFFAOYSA-N -2 3 342.428 2.847 20 0 EFADHL O=C([N-]c1ncc(-c2nn[n-]n2)s1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823379872 1425696213 /nfs/dbraw/zinc/69/62/13/1425696213.db2.gz MHHJXEHPZWUBJZ-NKWVEPMBSA-N -2 3 346.338 2.630 20 0 EFADHL O=C([N-]c1ncc(-c2nnn[n-]2)s1)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823379872 1425696217 /nfs/dbraw/zinc/69/62/17/1425696217.db2.gz MHHJXEHPZWUBJZ-NKWVEPMBSA-N -2 3 346.338 2.630 20 0 EFADHL Cc1cc(C)cc(C2(C(=O)[N-]c3ncc(-c4nnn[n-]4)s3)CC2)c1 ZINC000822196376 1426382633 /nfs/dbraw/zinc/38/26/33/1426382633.db2.gz GZDIADUYBMHBFN-UHFFFAOYSA-N -2 3 340.412 2.610 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)cc1 ZINC000821487562 1426404996 /nfs/dbraw/zinc/40/49/96/1426404996.db2.gz WSIQQFUVXGZHOY-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)cc1 ZINC000821487562 1426404998 /nfs/dbraw/zinc/40/49/98/1426404998.db2.gz WSIQQFUVXGZHOY-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nnn[n-]2)cc1 ZINC000825717729 1427637873 /nfs/dbraw/zinc/63/78/73/1427637873.db2.gz OWUVXPXLMANBHN-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL C[C@@H](CC(=O)[N-]c1ncc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000820225369 1428143625 /nfs/dbraw/zinc/14/36/25/1428143625.db2.gz HNNOMVAAQJIWMW-QMMMGPOBSA-N -2 3 332.364 2.595 20 0 EFADHL C[C@@H](CC(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000820225369 1428143634 /nfs/dbraw/zinc/14/36/34/1428143634.db2.gz HNNOMVAAQJIWMW-QMMMGPOBSA-N -2 3 332.364 2.595 20 0 EFADHL O=C(C=CC1CC1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826400138 1430140415 /nfs/dbraw/zinc/14/04/15/1430140415.db2.gz QGWQPKUZNUFBFL-VOTSOKGWSA-N -2 3 338.396 2.895 20 0 EFADHL O=C(C=CC1CC1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826400138 1430140417 /nfs/dbraw/zinc/14/04/17/1430140417.db2.gz QGWQPKUZNUFBFL-VOTSOKGWSA-N -2 3 338.396 2.895 20 0 EFADHL Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000737249706 1441727796 /nfs/dbraw/zinc/72/77/96/1441727796.db2.gz BRUBRVFMJWRJKM-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL CCCc1cc(=O)[n-]c(SCc2cccc(-c3nn[n-]n3)c2F)n1 ZINC000825348589 1443458377 /nfs/dbraw/zinc/45/83/77/1443458377.db2.gz QZAJVDFICIOQBE-UHFFFAOYSA-N -2 3 346.391 2.746 20 0 EFADHL CCCc1cc(=O)[n-]c(SCc2cccc(-c3nnn[n-]3)c2F)n1 ZINC000825348589 1443458381 /nfs/dbraw/zinc/45/83/81/1443458381.db2.gz QZAJVDFICIOQBE-UHFFFAOYSA-N -2 3 346.391 2.746 20 0 EFADHL CC(C)(C)c1cnc([N-]C(=O)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000819966188 1443851440 /nfs/dbraw/zinc/85/14/40/1443851440.db2.gz YKCDNVOJPSKICB-UHFFFAOYSA-N -2 3 342.428 2.802 20 0 EFADHL CC(C)(C)c1cnc([N-]C(=O)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000819966188 1443851442 /nfs/dbraw/zinc/85/14/42/1443851442.db2.gz YKCDNVOJPSKICB-UHFFFAOYSA-N -2 3 342.428 2.802 20 0 EFADHL O=C(CCCc1nnn[n-]1)[N-]c1nc(-c2cccc(Cl)c2)cs1 ZINC001150821046 1446397391 /nfs/dbraw/zinc/39/73/91/1446397391.db2.gz UBMQQBGLHUAUAU-UHFFFAOYSA-N -2 3 348.819 2.938 20 0 EFADHL O=C(CCCc1nn[n-]n1)[N-]c1nc(-c2cccc(Cl)c2)cs1 ZINC001150821046 1446397394 /nfs/dbraw/zinc/39/73/94/1446397394.db2.gz UBMQQBGLHUAUAU-UHFFFAOYSA-N -2 3 348.819 2.938 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1Cl)C(F)F ZINC000840890507 718918805 /nfs/dbraw/zinc/91/88/05/718918805.db2.gz LMNFHJPVRQOPKA-QMMMGPOBSA-N -2 3 341.763 2.669 20 0 EFADHL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc([O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000907953107 727062330 /nfs/dbraw/zinc/06/23/30/727062330.db2.gz OCYDZDPNCDUYMB-OSXSSCDZSA-N -2 3 343.301 2.640 20 0 EFADHL O=C([O-])Cc1csc(NC(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC000908580941 727213882 /nfs/dbraw/zinc/21/38/82/727213882.db2.gz XJJWNZFWTFVSMR-UHFFFAOYSA-N -2 3 332.381 2.607 20 0 EFADHL O=C([O-])CN(Cc1ccccc1)C(=O)CCCc1ccc([O-])c(F)c1 ZINC000908900309 727285011 /nfs/dbraw/zinc/28/50/11/727285011.db2.gz IRUGKWPNGZUPSG-UHFFFAOYSA-N -2 3 345.370 2.967 20 0 EFADHL C[C@](NC(=O)CCCc1ccc([O-])c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000908933703 727287621 /nfs/dbraw/zinc/28/76/21/727287621.db2.gz RFONTAQXAXIMTA-LJQANCHMSA-N -2 3 345.370 2.970 20 0 EFADHL CC[C@](C)(CC(=O)[O-])NC(=O)c1cc([O-])cc(Br)c1 ZINC000909054229 727315032 /nfs/dbraw/zinc/31/50/32/727315032.db2.gz DVNVNUJLIFZDFL-CYBMUJFWSA-N -2 3 330.178 2.528 20 0 EFADHL CC(C)[C@](C)(CC(=O)[O-])NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000909688947 727367087 /nfs/dbraw/zinc/36/70/87/727367087.db2.gz SGYILLULSSUELD-KRWDZBQOSA-N -2 3 325.380 2.860 20 0 EFADHL O=C([O-])[C@H](C[C@H]1CCCOC1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000910244070 727422939 /nfs/dbraw/zinc/42/29/39/727422939.db2.gz OHLQYKOWHDHAQQ-WBMJQRKESA-N -2 3 343.379 2.545 20 0 EFADHL O=C([O-])[C@@H](C[C@H]1CCCOC1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000910244069 727422989 /nfs/dbraw/zinc/42/29/89/727422989.db2.gz OHLQYKOWHDHAQQ-MLGOLLRUSA-N -2 3 343.379 2.545 20 0 EFADHL CC(C)(CCC(=O)[O-])C(=O)NCc1ccc([O-])c(Br)c1 ZINC000911594915 727566393 /nfs/dbraw/zinc/56/63/93/727566393.db2.gz JYOMITAAEAWSME-UHFFFAOYSA-N -2 3 344.205 2.662 20 0 EFADHL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1 ZINC000322131506 970850707 /nfs/dbraw/zinc/85/07/07/970850707.db2.gz UHBNJOZDVOAOOO-RMKNXTFCSA-N -2 3 339.319 2.863 20 0 EFADHL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1 ZINC000322131507 970851070 /nfs/dbraw/zinc/85/10/70/970851070.db2.gz UHBNJOZDVOAOOO-TWGQIWQCSA-N -2 3 339.319 2.863 20 0 EFADHL O=C([O-])[C@@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001601361052 970981865 /nfs/dbraw/zinc/98/18/65/970981865.db2.gz GOEXHXVBNIZEAE-HIFRSBDPSA-N -2 3 329.327 2.503 20 0 EFADHL CC(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CC1 ZINC000323842801 971045672 /nfs/dbraw/zinc/04/56/72/971045672.db2.gz KMQXRRWQVLBTGK-ZDUSSCGKSA-N -2 3 349.811 2.890 20 0 EFADHL O=C([O-])CCc1cccc(NC(=O)c2[n-]cnc2C(F)(F)F)c1 ZINC001602043924 971129854 /nfs/dbraw/zinc/12/98/54/971129854.db2.gz XMNVUYDQMBTAMU-UHFFFAOYSA-N -2 3 327.262 2.698 20 0 EFADHL O=C([O-])CCc1cccc(NC(=O)c2nc[n-]c2C(F)(F)F)c1 ZINC001602043924 971129859 /nfs/dbraw/zinc/12/98/59/971129859.db2.gz XMNVUYDQMBTAMU-UHFFFAOYSA-N -2 3 327.262 2.698 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1C ZINC000324892992 971166509 /nfs/dbraw/zinc/16/65/09/971166509.db2.gz STZQDRCTKCYFKN-UHFFFAOYSA-N -2 3 349.408 2.958 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)c(CC(=O)[O-])c1 ZINC000325122533 971187181 /nfs/dbraw/zinc/18/71/81/971187181.db2.gz XPVKLIGNERDEKO-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000325371478 971208770 /nfs/dbraw/zinc/20/87/70/971208770.db2.gz HDQCSWMRWNUCQT-OCCSQVGLSA-N -2 3 328.368 2.704 20 0 EFADHL CC[C@]1(C(=O)[O-])CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC001589592884 949108933 /nfs/dbraw/zinc/10/89/33/949108933.db2.gz UMWSXFBVCCTASI-SFHVURJKSA-N -2 3 337.391 2.957 20 0 EFADHL O=C([O-])c1ccc(C(=O)Nc2cc(Br)ccc2[O-])nc1 ZINC001595221286 949254340 /nfs/dbraw/zinc/25/43/40/949254340.db2.gz BHLPXJSBGBIDFX-UHFFFAOYSA-N -2 3 337.129 2.500 20 0 EFADHL O=C([O-])c1cccc(CNCc2ncc(Br)cc2[O-])c1 ZINC001595244856 949507592 /nfs/dbraw/zinc/50/75/92/949507592.db2.gz YGEGFQKITMKMFD-UHFFFAOYSA-N -2 3 337.173 2.538 20 0 EFADHL CCCCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@@H](C)C2)c([O-])c1 ZINC001589652419 949784476 /nfs/dbraw/zinc/78/44/76/949784476.db2.gz BCEKBHGCGIRYLB-GXTWGEPZSA-N -2 3 335.400 2.754 20 0 EFADHL O=C([O-])CC1(C(=O)Nc2ccc(Br)cc2[O-])CCC1 ZINC001594976723 950926210 /nfs/dbraw/zinc/92/62/10/950926210.db2.gz JBDYGLPVCYHQTO-UHFFFAOYSA-N -2 3 328.162 2.738 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)cc1 ZINC000322615517 951033555 /nfs/dbraw/zinc/03/35/55/951033555.db2.gz PWPWQNCEPOTQRI-UHFFFAOYSA-N -2 3 335.381 2.513 20 0 EFADHL O=C([O-])CC[C@H]1CCCCN1Cc1ncc(Br)cc1[O-] ZINC001595012975 951273254 /nfs/dbraw/zinc/27/32/54/951273254.db2.gz YSIXLXBZXSYVQK-LLVKDONJSA-N -2 3 343.221 2.769 20 0 EFADHL O=C([O-])CC[C@H]1CCCN(Cc2ncc(Br)cc2[O-])C1 ZINC001595017088 951294802 /nfs/dbraw/zinc/29/48/02/951294802.db2.gz NBMHMQZQQIPYNH-SNVBAGLBSA-N -2 3 343.221 2.627 20 0 EFADHL O=C([O-])[C@H](C(=O)Nc1ccc(Br)cc1[O-])C1CCCC1 ZINC001594836044 954026199 /nfs/dbraw/zinc/02/61/99/954026199.db2.gz OJHLEZJEEKXDJL-LBPRGKRZSA-N -2 3 342.189 2.984 20 0 EFADHL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000806633332 955354642 /nfs/dbraw/zinc/35/46/42/955354642.db2.gz MHLDCGPNNUOMBJ-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cc2)c1 ZINC000013059310 956920053 /nfs/dbraw/zinc/92/00/53/956920053.db2.gz URNRYSOUDBQOGS-UHFFFAOYSA-N -2 3 346.408 2.786 20 0 EFADHL CCCc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000013059678 956921028 /nfs/dbraw/zinc/92/10/28/956921028.db2.gz WJVYMGACGQYOOY-UHFFFAOYSA-N -2 3 335.381 2.844 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000018994695 957102984 /nfs/dbraw/zinc/10/29/84/957102984.db2.gz OFBQEAKQGILBIR-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000037405963 957277898 /nfs/dbraw/zinc/27/78/98/957277898.db2.gz DJXQBRANESDRCM-UHFFFAOYSA-N -2 3 337.800 2.793 20 0 EFADHL O=C([O-])c1ccc(C(=O)Nc2ccc(Br)cc2[O-])nc1 ZINC001574796392 957822111 /nfs/dbraw/zinc/82/21/11/957822111.db2.gz MMBFRSYTNARPDD-UHFFFAOYSA-N -2 3 337.129 2.500 20 0 EFADHL O=C([O-])[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000085325615 957893663 /nfs/dbraw/zinc/89/36/63/957893663.db2.gz XDNHWSQPWDOQGX-XVKPBYJWSA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000085325601 957893864 /nfs/dbraw/zinc/89/38/64/957893864.db2.gz BJRXCXHSWMNMCD-PSASIEDQSA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000085326217 957895427 /nfs/dbraw/zinc/89/54/27/957895427.db2.gz QZECWLDTUOURNU-IONNQARKSA-N -2 3 338.212 2.525 20 0 EFADHL CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001573389697 958686634 /nfs/dbraw/zinc/68/66/34/958686634.db2.gz FAUAZEAVJUPTNJ-LBPRGKRZSA-N -2 3 342.355 2.903 20 0 EFADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001594430143 959168897 /nfs/dbraw/zinc/16/88/97/959168897.db2.gz FJNVWKKHOXKQTK-JTQLQIEISA-N -2 3 348.852 2.601 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC001198770309 960580098 /nfs/dbraw/zinc/58/00/98/960580098.db2.gz CIRQXZCCDFYWKM-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(C)(C)C ZINC001259221990 960684538 /nfs/dbraw/zinc/68/45/38/960684538.db2.gz DKQKKGYPQZNOEM-SSDOTTSWSA-N -2 3 337.800 2.890 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C(C2CC2)C2CC2)c(F)cc1Cl ZINC001259223237 960689064 /nfs/dbraw/zinc/68/90/64/960689064.db2.gz UJPHXWCXZFJNEZ-UHFFFAOYSA-N -2 3 347.795 2.644 20 0 EFADHL CC(=O)c1ccc(C(=O)Nc2cccc(CCC(=O)[O-])c2)cc1[O-] ZINC001571174163 962082121 /nfs/dbraw/zinc/08/21/21/962082121.db2.gz KBWDZSMCJBYODE-UHFFFAOYSA-N -2 3 327.336 2.864 20 0 EFADHL CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001571187922 962230570 /nfs/dbraw/zinc/23/05/70/962230570.db2.gz RCCTYRVPADUHME-RYUDHWBXSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCC1 ZINC001571188020 962230986 /nfs/dbraw/zinc/23/09/86/962230986.db2.gz RWULADFOLNOSHG-UHFFFAOYSA-N -2 3 329.418 2.863 20 0 EFADHL O=C([O-])Nc1ccc(CNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC001571208165 962425354 /nfs/dbraw/zinc/42/53/54/962425354.db2.gz LDDVDYHMYOCJBX-UHFFFAOYSA-N -2 3 333.319 2.621 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c1 ZINC001549039774 962944647 /nfs/dbraw/zinc/94/46/47/962944647.db2.gz APKQPTHACRRMJK-IRXDYDNUSA-N -2 3 339.391 2.895 20 0 EFADHL C[C@@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000308419517 963273871 /nfs/dbraw/zinc/27/38/71/963273871.db2.gz MBALVGJWQNBBCY-RFAUZJTJSA-N -2 3 347.383 2.910 20 0 EFADHL O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCCCC12CCCC2 ZINC000320692477 970700043 /nfs/dbraw/zinc/70/00/43/970700043.db2.gz NHLPNYXHJGKWRS-SNVBAGLBSA-N -2 3 344.458 2.623 20 0 EFADHL CC(C)(C)C(C)(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320843984 970721781 /nfs/dbraw/zinc/72/17/81/970721781.db2.gz HAFQQENNXCCPRK-UHFFFAOYSA-N -2 3 335.372 2.766 20 0 EFADHL C[C@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000398475661 973147386 /nfs/dbraw/zinc/14/73/86/973147386.db2.gz PSWCTRXOFKCSQD-MRVPVSSYSA-N -2 3 333.356 2.520 20 0 EFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000400436969 973278350 /nfs/dbraw/zinc/27/83/50/973278350.db2.gz DGTBAEHMZNYMMB-KCJUWKMLSA-N -2 3 337.800 2.647 20 0 EFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000400436968 973278955 /nfs/dbraw/zinc/27/89/55/973278955.db2.gz DGTBAEHMZNYMMB-GZMMTYOYSA-N -2 3 337.800 2.647 20 0 EFADHL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[N-]O[C@H]1CCCCO1 ZINC001591769742 975896660 /nfs/dbraw/zinc/89/66/60/975896660.db2.gz YNZLLSOUDBBVRJ-AWEZNQCLSA-N -2 3 338.360 2.752 20 0 EFADHL O=C([O-])C[C@@H]1CC[C@H](NC(=O)c2cc([O-])cc(Br)c2)C1 ZINC000700748999 976968388 /nfs/dbraw/zinc/96/83/88/976968388.db2.gz OPZWBZXLEUPZFU-KCJUWKMLSA-N -2 3 342.189 2.528 20 0 EFADHL Cc1nc(C(C)C)sc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738840272 978604450 /nfs/dbraw/zinc/60/44/50/978604450.db2.gz FLFWBMRVKOOSLN-UHFFFAOYSA-N -2 3 340.430 2.696 20 0 EFADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)c1C ZINC001595026920 979139464 /nfs/dbraw/zinc/13/94/64/979139464.db2.gz NGEFCOPLIDPTDW-NSHDSACASA-N -2 3 343.449 2.549 20 0 EFADHL CC[C@](CNC(=O)c1ccc(C)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595160797 979687839 /nfs/dbraw/zinc/68/78/39/979687839.db2.gz RGBRPYCAQWBNAR-LJQANCHMSA-N -2 3 327.380 2.863 20 0 EFADHL C[C@H](Cc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1)C(=O)[O-] ZINC001592872121 979727357 /nfs/dbraw/zinc/72/73/57/979727357.db2.gz CVDUCWBVIDOPTH-SNVBAGLBSA-N -2 3 341.367 2.575 20 0 EFADHL CC[C@](NCc1nc(C)cc(=O)[n-]1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595306278 980456781 /nfs/dbraw/zinc/45/67/81/980456781.db2.gz YJZQHWKBXDQAKQ-MRXNPFEDSA-N -2 3 335.791 2.624 20 0 EFADHL CC[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595450879 981104544 /nfs/dbraw/zinc/10/45/44/981104544.db2.gz DPWAXIJEGIIOGP-VHSXEESVSA-N -2 3 347.383 2.768 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])cc2F)c([O-])c1 ZINC001596724346 984976300 /nfs/dbraw/zinc/97/63/00/984976300.db2.gz DYTBTGDWMHTCHY-UHFFFAOYSA-N -2 3 347.298 2.659 20 0 EFADHL CC(=O)Nc1ccc([O-])c(C(=O)NCCCCC2(C(=O)[O-])CCC2)c1 ZINC001589199284 985629007 /nfs/dbraw/zinc/62/90/07/985629007.db2.gz BLBXNDLLFVMITN-UHFFFAOYSA-N -2 3 348.399 2.506 20 0 EFADHL C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001589512634 987150904 /nfs/dbraw/zinc/15/09/04/987150904.db2.gz UAZXUFWKAUFOOK-SECBINFHSA-N -2 3 327.340 2.500 20 0 EFADHL CC(C)(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001589789243 988176528 /nfs/dbraw/zinc/17/65/28/988176528.db2.gz VSILYPLRMSZAMI-WCBMZHEXSA-N -2 3 347.383 2.766 20 0 EFADHL CCc1cccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1[O-] ZINC001597570712 988349649 /nfs/dbraw/zinc/34/96/49/988349649.db2.gz ZPTBASHGCHEGSL-DLBZAZTESA-N -2 3 339.391 2.895 20 0 EFADHL CCc1cccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c1[O-] ZINC001597576380 988365402 /nfs/dbraw/zinc/36/54/02/988365402.db2.gz LXERDKDLOJPHON-UHFFFAOYSA-N -2 3 329.352 2.979 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001599819667 988489720 /nfs/dbraw/zinc/48/97/20/988489720.db2.gz BHKZZYNOJDQDDK-CQSZACIVSA-N -2 3 331.393 2.540 20 0 EFADHL CSc1ccc([O-])c(C(=O)N(CCC(F)(F)F)CC(=O)[O-])c1 ZINC001599819753 988491258 /nfs/dbraw/zinc/49/12/58/988491258.db2.gz GIOMMGHITHJCTI-UHFFFAOYSA-N -2 3 337.319 2.593 20 0 EFADHL CSc1ccc([O-])c(C(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC001599819769 988491331 /nfs/dbraw/zinc/49/13/31/988491331.db2.gz HBKXDBAWIMDIHK-UHFFFAOYSA-N -2 3 331.393 2.671 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001599820003 988496334 /nfs/dbraw/zinc/49/63/34/988496334.db2.gz MZYDBOAPDYEHOI-CQSZACIVSA-N -2 3 349.383 2.679 20 0 EFADHL CSc1cnn(-c2ccccc2)c1[N-]C(=O)c1cc(C(=O)[O-])on1 ZINC001599827600 988621310 /nfs/dbraw/zinc/62/13/10/988621310.db2.gz PYRNLAPTQUBBQP-UHFFFAOYSA-N -2 3 344.352 2.533 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cccc2c(C(=O)[O-])cccc21)C(F)(F)F ZINC001599842101 988858767 /nfs/dbraw/zinc/85/87/67/988858767.db2.gz FLBBSNSBVHIAHL-MRVPVSSYSA-N -2 3 347.314 2.767 20 0 EFADHL CC(C)(C)c1ccc([C@@H](O)CCC(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001590480685 990068864 /nfs/dbraw/zinc/06/88/64/990068864.db2.gz YJEKBGFMEGZTHA-HNNXBMFYSA-N -2 3 337.416 2.710 20 0 EFADHL CC(C)(CC1CCCCCC1)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-] ZINC001590654659 990347893 /nfs/dbraw/zinc/34/78/93/990347893.db2.gz RPSWGNDMSNCIGE-UHFFFAOYSA-N -2 3 343.449 2.525 20 0 EFADHL CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001590968331 991090097 /nfs/dbraw/zinc/09/00/97/991090097.db2.gz PQGUSXIWONDFRL-UHFFFAOYSA-N -2 3 337.800 2.890 20 0 EFADHL CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001591089091 991629534 /nfs/dbraw/zinc/62/95/34/991629534.db2.gz RGFNPMGPNIFCTN-GHMZBOCLSA-N -2 3 346.474 2.725 20 0 EFADHL CC(C)CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001591229098 992109012 /nfs/dbraw/zinc/10/90/12/992109012.db2.gz UXUNRZDVGKJCTD-AAEUAGOBSA-N -2 3 329.418 2.861 20 0 EFADHL C[C@H](c1ccc(F)c(F)c1)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593694529 996150822 /nfs/dbraw/zinc/15/08/22/996150822.db2.gz XLMRFTAESREKRD-FKIHXICZSA-N -2 3 339.338 2.523 20 0 EFADHL CC1(C)CC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001593886859 996724823 /nfs/dbraw/zinc/72/48/23/996724823.db2.gz VHOIRBKOKWPSDB-NSHDSACASA-N -2 3 335.784 2.644 20 0 EFADHL COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)c([O-])c1 ZINC001599483003 996798894 /nfs/dbraw/zinc/79/88/94/996798894.db2.gz LYRXDKWMTMOBAK-HNNXBMFYSA-N -2 3 329.352 2.655 20 0 EFADHL COc1ccc(C=CC(=O)[O-])cc1OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001599546922 997938549 /nfs/dbraw/zinc/93/85/49/997938549.db2.gz PUVPOEONYKSXOZ-XVNBXDOJSA-N -2 3 342.351 2.745 20 0 EFADHL COc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])c([O-])c1 ZINC001599479684 998587283 /nfs/dbraw/zinc/58/72/83/998587283.db2.gz CZSLXYPCYFBYGF-GFCCVEGCSA-N -2 3 329.352 2.516 20 0 EFADHL C[C@H]1[C@@H](C(=O)[O-])CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001594160144 998596222 /nfs/dbraw/zinc/59/62/22/998596222.db2.gz YFLJZCCHDCYMLK-BBRMVZONSA-N -2 3 339.391 2.918 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c2ccccc12)C1CC1 ZINC001599056621 999234308 /nfs/dbraw/zinc/23/43/08/999234308.db2.gz CUESHTUAYGJPRR-MRXNPFEDSA-N -2 3 349.408 2.705 20 0 EFADHL COc1ccc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c([O-])c1 ZINC001648014460 1089930036 /nfs/dbraw/zinc/93/00/36/1089930036.db2.gz OOTVDRDTJHQPHG-UHFFFAOYSA-N -2 3 325.324 2.544 20 0 EFADHL Cc1cccc(C2(C(=O)[N-]Oc3cccc(-c4nnn[n-]4)c3)CCC2)c1 ZINC001581237090 1091102193 /nfs/dbraw/zinc/10/21/93/1091102193.db2.gz PDIJXUVRVRLNOS-UHFFFAOYSA-N -2 3 349.394 2.707 20 0 EFADHL Cc1cccc(C2(C(=O)[N-]Oc3cccc(-c4nn[n-]n4)c3)CCC2)c1 ZINC001581237090 1091102200 /nfs/dbraw/zinc/10/22/00/1091102200.db2.gz PDIJXUVRVRLNOS-UHFFFAOYSA-N -2 3 349.394 2.707 20 0 EFADHL CC(C=C(C)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1)=Cc1ccccc1 ZINC001588771213 1092988600 /nfs/dbraw/zinc/98/86/00/1092988600.db2.gz SGERINITXZQERI-MWOVLNQWSA-N -2 3 334.383 2.765 20 0 EFADHL CC(C=C(C)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1)=Cc1ccccc1 ZINC001588771213 1092988610 /nfs/dbraw/zinc/98/86/10/1092988610.db2.gz SGERINITXZQERI-MWOVLNQWSA-N -2 3 334.383 2.765 20 0 EFADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1 ZINC001589002900 1093017678 /nfs/dbraw/zinc/01/76/78/1093017678.db2.gz GXLPEZFNAUGCKD-JTQLQIEISA-N -2 3 343.774 2.734 20 0 EFADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1 ZINC001589002900 1093017687 /nfs/dbraw/zinc/01/76/87/1093017687.db2.gz GXLPEZFNAUGCKD-JTQLQIEISA-N -2 3 343.774 2.734 20 0 EFADHL CC(C)(CCNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F)C(=O)[O-] ZINC001589275837 1093062143 /nfs/dbraw/zinc/06/21/43/1093062143.db2.gz LHKOZQXESWQNSY-UHFFFAOYSA-N -2 3 343.309 2.798 20 0 EFADHL CC(C)(CCNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)C(=O)[O-] ZINC001589275837 1093062154 /nfs/dbraw/zinc/06/21/54/1093062154.db2.gz LHKOZQXESWQNSY-UHFFFAOYSA-N -2 3 343.309 2.798 20 0 EFADHL CC(C)c1cccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC001589771536 1093140806 /nfs/dbraw/zinc/14/08/06/1093140806.db2.gz TYCBJUWMEXXRTO-UHFFFAOYSA-N -2 3 343.412 2.791 20 0 EFADHL C[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c2ccccc21 ZINC001590270099 1093352932 /nfs/dbraw/zinc/35/29/32/1093352932.db2.gz MRRSWBBQGLVJEE-LLVKDONJSA-N -2 3 335.367 2.726 20 0 EFADHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001591820054 1093871010 /nfs/dbraw/zinc/87/10/10/1093871010.db2.gz YFMCOOGCVOYEQX-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001591820054 1093871014 /nfs/dbraw/zinc/87/10/14/1093871014.db2.gz YFMCOOGCVOYEQX-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL Cc1cc(Cl)c2ncc(-c3nnn[n-]3)c(NC[C@H](C)C(=O)[O-])c2c1 ZINC001591974938 1093942178 /nfs/dbraw/zinc/94/21/78/1093942178.db2.gz CWLGXFYHJBAPRR-QMMMGPOBSA-N -2 3 346.778 2.509 20 0 EFADHL Cc1cc(Cl)c2ncc(-c3nn[n-]n3)c(NC[C@H](C)C(=O)[O-])c2c1 ZINC001591974938 1093942182 /nfs/dbraw/zinc/94/21/82/1093942182.db2.gz CWLGXFYHJBAPRR-QMMMGPOBSA-N -2 3 346.778 2.509 20 0 EFADHL Cc1cccc(-c2ccc(N3CC(C(=O)[O-])C3)c(-c3nnn[n-]3)c2)c1C ZINC001592209166 1094033503 /nfs/dbraw/zinc/03/35/03/1094033503.db2.gz KVCVYLIWINXOIZ-UHFFFAOYSA-N -2 3 349.394 2.671 20 0 EFADHL Cc1cccc(-c2ccc(N3CC(C(=O)[O-])C3)c(-c3nn[n-]n3)c2)c1C ZINC001592209166 1094033510 /nfs/dbraw/zinc/03/35/10/1094033510.db2.gz KVCVYLIWINXOIZ-UHFFFAOYSA-N -2 3 349.394 2.671 20 0 EFADHL Cc1coc2ccc(NC(=O)c3ccc(-c4nn[n-]n4)c([O-])c3)cc12 ZINC001592307597 1094072207 /nfs/dbraw/zinc/07/22/07/1094072207.db2.gz GOKQRCIFUGTUJH-UHFFFAOYSA-N -2 3 335.323 2.879 20 0 EFADHL Cc1sc(C=Cc2cccc(F)c2-c2nnn[n-]2)nc1C(=O)[O-] ZINC001592518143 1094117951 /nfs/dbraw/zinc/11/79/51/1094117951.db2.gz LQCTYHDODSEIDC-AATRIKPKSA-N -2 3 331.332 2.639 20 0 EFADHL Cc1sc(C=Cc2cccc(F)c2-c2nn[n-]n2)nc1C(=O)[O-] ZINC001592518143 1094117953 /nfs/dbraw/zinc/11/79/53/1094117953.db2.gz LQCTYHDODSEIDC-AATRIKPKSA-N -2 3 331.332 2.639 20 0 EFADHL Cc1sc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)nc1C(C)C ZINC001592521300 1094118947 /nfs/dbraw/zinc/11/89/47/1094118947.db2.gz SEGYUALXNOUPIC-UHFFFAOYSA-N -2 3 344.400 2.713 20 0 EFADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@H](F)CC1CCCCC1 ZINC001593170929 1094231387 /nfs/dbraw/zinc/23/13/87/1094231387.db2.gz MDMSGIINQVFTPX-CQSZACIVSA-N -2 3 333.367 2.585 20 0 EFADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@H](F)CC1CCCCC1 ZINC001593170929 1094231392 /nfs/dbraw/zinc/23/13/92/1094231392.db2.gz MDMSGIINQVFTPX-CQSZACIVSA-N -2 3 333.367 2.585 20 0 EFADHL O=C(Nc1ccc(-c2ccc[nH]2)cc1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593211748 1094240174 /nfs/dbraw/zinc/24/01/74/1094240174.db2.gz FXNVLEXTLTUPRG-UHFFFAOYSA-N -2 3 346.350 2.820 20 0 EFADHL O=C(Nc1ccccc1C(F)F)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593252502 1094254203 /nfs/dbraw/zinc/25/42/03/1094254203.db2.gz IWDGDGCTNBSJLY-UHFFFAOYSA-N -2 3 331.282 2.762 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001593279362 1094261394 /nfs/dbraw/zinc/26/13/94/1094261394.db2.gz HLUDYVRZDFWMGG-SCZZXKLOSA-N -2 3 341.293 2.551 20 0 EFADHL O=C([O-])CCCc1ccccc1NCc1csc(-c2nnn[n-]2)c1 ZINC001593278846 1094262212 /nfs/dbraw/zinc/26/22/12/1094262212.db2.gz YZUMRCCMUOGAON-UHFFFAOYSA-N -2 3 343.412 2.948 20 0 EFADHL O=C([O-])C1CCC(Nc2ccc(C3CC3)c(-c3nn[n-]n3)c2)CC1 ZINC001593275221 1094262350 /nfs/dbraw/zinc/26/23/50/1094262350.db2.gz VHJJUXPBYMMYJW-UHFFFAOYSA-N -2 3 327.388 2.799 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2cccc(F)c2-c2nnn[n-]2)s1 ZINC001593277217 1094262457 /nfs/dbraw/zinc/26/24/57/1094262457.db2.gz UPZHFPBODKQDRY-PEPZGXQESA-N -2 3 343.343 2.731 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2cccc(F)c2-c2nn[n-]n2)s1 ZINC001593277217 1094262459 /nfs/dbraw/zinc/26/24/59/1094262459.db2.gz UPZHFPBODKQDRY-PEPZGXQESA-N -2 3 343.343 2.731 20 0 EFADHL O=C([O-])CCCCNc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001593278286 1094262469 /nfs/dbraw/zinc/26/24/69/1094262469.db2.gz XOJBHLREJNLIBC-UHFFFAOYSA-N -2 3 329.282 2.552 20 0 EFADHL O=C([O-])CCCCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001593278286 1094262475 /nfs/dbraw/zinc/26/24/75/1094262475.db2.gz XOJBHLREJNLIBC-UHFFFAOYSA-N -2 3 329.282 2.552 20 0 EFADHL O=C([O-])c1ccc2nc(C=Cc3cc(-c4nnn[n-]4)cs3)oc2c1 ZINC001593282696 1094264913 /nfs/dbraw/zinc/26/49/13/1094264913.db2.gz BQPFMOZRVIPDGR-RQOWECAXSA-N -2 3 339.336 2.938 20 0 EFADHL O=C([O-])c1ccc2nc(C=Cc3cc(-c4nn[n-]n4)cs3)oc2c1 ZINC001593282696 1094264920 /nfs/dbraw/zinc/26/49/20/1094264920.db2.gz BQPFMOZRVIPDGR-RQOWECAXSA-N -2 3 339.336 2.938 20 0 EFADHL O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cc([S-])ccc1F ZINC001593295714 1094271895 /nfs/dbraw/zinc/27/18/95/1094271895.db2.gz HCCPRQQGHBOMKY-UHFFFAOYSA-N -2 3 348.334 2.791 20 0 EFADHL O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cc([S-])ccc1F ZINC001593295714 1094271900 /nfs/dbraw/zinc/27/19/00/1094271900.db2.gz HCCPRQQGHBOMKY-UHFFFAOYSA-N -2 3 348.334 2.791 20 0 EFADHL Cc1cc(F)cc2c(=O)c(C(=O)Nc3ccc(C(=O)[O-])cc3)c[n-]c12 ZINC001600230757 1094905908 /nfs/dbraw/zinc/90/59/08/1094905908.db2.gz BMVVDNUIOKJXPQ-UHFFFAOYSA-N -2 3 340.310 2.926 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc3occc3c2)oc1C(=O)[O-] ZINC001600300107 1094953620 /nfs/dbraw/zinc/95/36/20/1094953620.db2.gz AGODAOCGLSUYRE-UHFFFAOYSA-N -2 3 335.337 2.511 20 0 EFADHL Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001600366917 1095007589 /nfs/dbraw/zinc/00/75/89/1095007589.db2.gz XMQPNYLTQQGFPK-UHFFFAOYSA-N -2 3 337.397 2.542 20 0 EFADHL Cc1ccc([O-])c(CN(C)[C@H](C(=O)[O-])c2cc(F)c(F)c(F)c2)n1 ZINC001600464757 1095085329 /nfs/dbraw/zinc/08/53/29/1095085329.db2.gz JXQUVXLLNGUDIS-HNNXBMFYSA-N -2 3 340.301 2.771 20 0 EFADHL Cc1ccc([O-])c(CN2CCc3[nH]c4ccc(C(=O)[O-])cc4c3C2)n1 ZINC001600464654 1095085684 /nfs/dbraw/zinc/08/56/84/1095085684.db2.gz HOWCKIFAEJKDMT-UHFFFAOYSA-N -2 3 337.379 2.833 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2cnc(C)c(C(=O)[O-])c2)c1Cl ZINC001600542515 1095148368 /nfs/dbraw/zinc/14/83/68/1095148368.db2.gz DUHGTDKSHKCALU-UHFFFAOYSA-N -2 3 340.788 2.851 20 0 EFADHL Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001600590625 1095191950 /nfs/dbraw/zinc/19/19/50/1095191950.db2.gz ARODBRWQLBFIAD-QMMMGPOBSA-N -2 3 341.339 2.514 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2cccc(C(=O)[O-])c2Cl)c(=O)[n-]1 ZINC001600691898 1095264574 /nfs/dbraw/zinc/26/45/74/1095264574.db2.gz UNSJBKPBURZFOD-UHFFFAOYSA-N -2 3 349.774 2.722 20 0 EFADHL Cc1c(C(=O)[O-])sc2nc(C)nc(NCc3ncccc3[O-])c12 ZINC001600718176 1095285766 /nfs/dbraw/zinc/28/57/66/1095285766.db2.gz OMKUPZFGGSCTDA-UHFFFAOYSA-N -2 3 330.369 2.719 20 0 EFADHL O=C([O-])[C@@H](CC1CCOCC1)NC(=O)c1cc2sccc2c([O-])c1 ZINC001601412627 1095664187 /nfs/dbraw/zinc/66/41/87/1095664187.db2.gz OXRFRDMWBCTSHJ-CYBMUJFWSA-N -2 3 349.408 2.607 20 0 EFADHL O=C([O-])c1cc(NC(=O)[N-]O[C@@H]2CCCCO2)cc(Cl)c1F ZINC001601563862 1095733759 /nfs/dbraw/zinc/73/37/59/1095733759.db2.gz RRKTXXNLEBOBEF-SNVBAGLBSA-N -2 3 332.715 2.757 20 0 EFADHL O=C([O-])c1n[nH]cc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001601580876 1095742437 /nfs/dbraw/zinc/74/24/37/1095742437.db2.gz ZHARCACMSXOTNG-UHFFFAOYSA-N -2 3 337.335 2.657 20 0 EFADHL O=C([O-])C[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccc(F)cc1 ZINC001601896018 1095962544 /nfs/dbraw/zinc/96/25/44/1095962544.db2.gz GKOIYHSLYPKLQX-JTQLQIEISA-N -2 3 344.314 2.706 20 0 EFADHL O=C([O-])CCCO[N-]C(=O)c1c(F)ccc(SCC2CC2)c1F ZINC001601994276 1096011146 /nfs/dbraw/zinc/01/11/46/1096011146.db2.gz AMTJYGRRGOHJMS-UHFFFAOYSA-N -2 3 345.367 2.993 20 0 EFADHL O=C([O-])CCCc1nnc([N-]C(=O)c2ncsc2C2CC2)s1 ZINC001602003257 1096016468 /nfs/dbraw/zinc/01/64/68/1096016468.db2.gz LDMKMZJOYMTKNX-UHFFFAOYSA-N -2 3 338.414 2.532 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC23CCC(CC2)C3)c1F ZINC001602225588 1096125586 /nfs/dbraw/zinc/12/55/86/1096125586.db2.gz DJIFFDLKBWBSNF-UHFFFAOYSA-N -2 3 345.367 2.522 20 0 EFADHL O=C([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1F ZINC001602267867 1096149860 /nfs/dbraw/zinc/14/98/60/1096149860.db2.gz JSIHNFGORXEUQU-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL O=C([O-])c1ccc(NC(=O)c2c[n-]c3cc(F)c(F)cc3c2=O)cc1 ZINC001602377999 1096213997 /nfs/dbraw/zinc/21/39/97/1096213997.db2.gz GULOEHIJCLCPBI-UHFFFAOYSA-N -2 3 344.273 2.757 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)o1 ZINC001602396894 1096221598 /nfs/dbraw/zinc/22/15/98/1096221598.db2.gz CPYGDAJATANKBY-KGLIPLIRSA-N -2 3 349.408 2.983 20 0 EFADHL O=C([O-])c1ccc2c(c1)N(C(=O)Cc1ccc([O-])c(F)c1)CCC2 ZINC001602423245 1096236783 /nfs/dbraw/zinc/23/67/83/1096236783.db2.gz TUQSQBLZQXBOFL-UHFFFAOYSA-N -2 3 329.327 2.751 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCc1cccc2ccccc21 ZINC001602488672 1096270207 /nfs/dbraw/zinc/27/02/07/1096270207.db2.gz RPMTUCQGUGXIGV-UHFFFAOYSA-N -2 3 345.376 2.652 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1ccc2sccc2c1 ZINC001602488866 1096270318 /nfs/dbraw/zinc/27/03/18/1096270318.db2.gz WVSKMFGOJICGLU-UHFFFAOYSA-N -2 3 337.378 2.671 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCCCC12CCCC2 ZINC001602489048 1096270829 /nfs/dbraw/zinc/27/08/29/1096270829.db2.gz QBXLYWFUWDZIOM-LBPRGKRZSA-N -2 3 327.402 2.759 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H]1c1ccccc1 ZINC001602489320 1096271078 /nfs/dbraw/zinc/27/10/78/1096271078.db2.gz ZMFCGWYVBZXHFL-UONOGXRCSA-N -2 3 349.408 2.840 20 0 EFADHL O=C([O-])c1cnc(-c2nc(=O)c3c4c(sc3[n-]2)SCCC4)cn1 ZINC001602507389 1096273217 /nfs/dbraw/zinc/27/32/17/1096273217.db2.gz ZZQHBZMJOGSBSB-UHFFFAOYSA-N -2 3 346.393 2.590 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC001602557071 1096297312 /nfs/dbraw/zinc/29/73/12/1096297312.db2.gz PMEPBDXZDSDUIY-ZFWWWQNUSA-N -2 3 349.408 2.840 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc3sccc3c2)c1 ZINC001602559236 1096298037 /nfs/dbraw/zinc/29/80/37/1096298037.db2.gz NCESOVIFVONKHE-UHFFFAOYSA-N -2 3 337.378 2.671 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)c1 ZINC001602559229 1096298144 /nfs/dbraw/zinc/29/81/44/1096298144.db2.gz MSRNHIFYKCTBAC-UHFFFAOYSA-N -2 3 337.378 2.671 20 0 EFADHL O=C([O-])c1nsc([N-]C(=O)c2cc3c(cncc3Cl)s2)n1 ZINC001602586844 1096308359 /nfs/dbraw/zinc/30/83/59/1096308359.db2.gz KPJXBCGKJXVNJA-UHFFFAOYSA-N -2 3 340.773 2.752 20 0 EFADHL O=C([O-])c1nsc([N-]C(=O)c2ccc(-c3ccccc3F)o2)n1 ZINC001602586589 1096308462 /nfs/dbraw/zinc/30/84/62/1096308462.db2.gz GIZKNDBBPGHPHG-UHFFFAOYSA-N -2 3 333.300 2.888 20 0 EFADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC001603019408 1096420868 /nfs/dbraw/zinc/42/08/68/1096420868.db2.gz FRTLNCRQURHPRB-MRVPVSSYSA-N -2 3 349.803 2.795 20 0 EFADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC001603019408 1096420874 /nfs/dbraw/zinc/42/08/74/1096420874.db2.gz FRTLNCRQURHPRB-MRVPVSSYSA-N -2 3 349.803 2.795 20 0 EFADHL CC(C)(C(=O)[O-])c1ccc(NCc2csc(-c3nnn[n-]3)c2)cc1 ZINC001603048339 1096425021 /nfs/dbraw/zinc/42/50/21/1096425021.db2.gz FNLIXHCTGHLIDS-UHFFFAOYSA-N -2 3 343.412 2.903 20 0 EFADHL CC(C)(C)O[N-]C(=O)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001603104853 1096444306 /nfs/dbraw/zinc/44/43/06/1096444306.db2.gz YNDVKSGIGXLYKF-UHFFFAOYSA-N -2 3 329.404 2.525 20 0 EFADHL CC(C)(C)O[N-]C(=O)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001603104853 1096444311 /nfs/dbraw/zinc/44/43/11/1096444311.db2.gz YNDVKSGIGXLYKF-UHFFFAOYSA-N -2 3 329.404 2.525 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)cc1[O-] ZINC001603108939 1096446101 /nfs/dbraw/zinc/44/61/01/1096446101.db2.gz OKDRRXRHIAOQET-SFHVURJKSA-N -2 3 333.384 2.748 20 0 EFADHL CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001603319254 1096504828 /nfs/dbraw/zinc/50/48/28/1096504828.db2.gz JWKZOZSZJUGCGR-NWDGAFQWSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1cc(C(=O)[O-])on1 ZINC001603668884 1096584576 /nfs/dbraw/zinc/58/45/76/1096584576.db2.gz LLNPAWQLWMRRKU-UHFFFAOYSA-N -2 3 342.273 2.655 20 0 EFADHL CC(C)[C@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001603716685 1096598838 /nfs/dbraw/zinc/59/88/38/1096598838.db2.gz LPBRBUWLCOKJNI-MRVPVSSYSA-N -2 3 337.800 2.748 20 0 EFADHL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCc1ncccc1[O-] ZINC001603943179 1096677272 /nfs/dbraw/zinc/67/72/72/1096677272.db2.gz SQZGVBZLAGPHRQ-UHFFFAOYSA-N -2 3 345.355 2.594 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@H](C[C@H]2CCCOC2)C(=O)[O-])c([O-])c1 ZINC001603997382 1096690716 /nfs/dbraw/zinc/69/07/16/1096690716.db2.gz YNZZQOGIRRJFSN-IUODEOHRSA-N -2 3 335.400 2.515 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@H]2CCCn3nc(C(=O)[O-])cc32)c([O-])c1 ZINC001603996651 1096691222 /nfs/dbraw/zinc/69/12/22/1096691222.db2.gz KRJFBUOIVAFQMD-ZDUSSCGKSA-N -2 3 343.383 2.675 20 0 EFADHL CCCC(CCC)SCc1cc(=O)n2[n-]cc(-c3nnn[n-]3)c2n1 ZINC001604144074 1096750848 /nfs/dbraw/zinc/75/08/48/1096750848.db2.gz BOWZGFUWEKNUAG-UHFFFAOYSA-N -2 3 347.448 2.817 20 0 EFADHL C[C@H](Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1)C(=O)[O-] ZINC001604228865 1096779979 /nfs/dbraw/zinc/77/99/79/1096779979.db2.gz NFBZSMUTXGJFFV-MRVPVSSYSA-N -2 3 341.289 2.944 20 0 EFADHL C[C@](Cc1ccccc1)([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C1CC1 ZINC001604235314 1096782544 /nfs/dbraw/zinc/78/25/44/1096782544.db2.gz BFRJHWAVAVVPLY-QGZVFWFLSA-N -2 3 349.408 2.668 20 0 EFADHL CC1(C(=O)[O-])CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC001604502067 1096880603 /nfs/dbraw/zinc/88/06/03/1096880603.db2.gz KOBKFXACCBDJTR-UHFFFAOYSA-N -2 3 327.336 2.731 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC1 ZINC001605103546 1097022634 /nfs/dbraw/zinc/02/26/34/1097022634.db2.gz HKKKGBPQPRRNGN-LLVKDONJSA-N -2 3 335.784 2.644 20 0 EFADHL CSCc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001605375304 1097109699 /nfs/dbraw/zinc/10/96/99/1097109699.db2.gz IIGIPIBFMHNUBE-UHFFFAOYSA-N -2 3 341.396 2.688 20 0 EFADHL CCN(CC(=O)[O-])C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001605415101 1097122118 /nfs/dbraw/zinc/12/21/18/1097122118.db2.gz NBGYMWDVOJJBEB-UHFFFAOYSA-N -2 3 327.380 2.724 20 0 EFADHL CCOc1cc(C(=O)[O-])ccc1NCc1cc(=O)[n-]c(C2CC2)n1 ZINC001605665743 1097185580 /nfs/dbraw/zinc/18/55/80/1097185580.db2.gz KRXTXEKLRXJRFX-UHFFFAOYSA-N -2 3 329.356 2.769 20 0 EFADHL CCc1cc(C(=O)[O-])c([N-]S(=O)(=O)Cc2ccccc2)s1 ZINC001605788763 1097224882 /nfs/dbraw/zinc/22/48/82/1097224882.db2.gz BPBPVCIEBJLBQA-UHFFFAOYSA-N -2 3 325.411 2.951 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2O)c1 ZINC001605821701 1097237891 /nfs/dbraw/zinc/23/78/91/1097237891.db2.gz PTSFTHQWICVILD-UHFFFAOYSA-N -2 3 331.324 2.619 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC001605821774 1097238197 /nfs/dbraw/zinc/23/81/97/1097238197.db2.gz UKJZABXSHOJTNQ-MRXNPFEDSA-N -2 3 325.364 2.606 20 0 EFADHL Cc1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1-c1nn[n-]n1 ZINC001605823480 1097239029 /nfs/dbraw/zinc/23/90/29/1097239029.db2.gz LHNFIRZSRWRPCL-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL CN(C(=O)c1cc2sccc2c([O-])c1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001605979978 1097291955 /nfs/dbraw/zinc/29/19/55/1097291955.db2.gz DXUHXHSDFBEQGT-ZDUSSCGKSA-N -2 3 349.408 2.701 20 0 EFADHL O=C([O-])C1(CC(=O)Nc2ccc(-c3nn[n-]n3)cc2)CCCCCC1 ZINC001606490596 1097408405 /nfs/dbraw/zinc/40/84/05/1097408405.db2.gz UTDWCPRGFOXRFZ-UHFFFAOYSA-N -2 3 343.387 2.621 20 0 EFADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1sccc1-c1nnn[n-]1 ZINC001606903059 1097468588 /nfs/dbraw/zinc/46/85/88/1097468588.db2.gz DFONKMJIENJVSW-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1sccc1-c1nn[n-]n1 ZINC001606903059 1097468590 /nfs/dbraw/zinc/46/85/90/1097468590.db2.gz DFONKMJIENJVSW-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cc(F)c([O-])cc1Cl)c1csc(-c2nnn[n-]2)c1 ZINC001606904736 1097469938 /nfs/dbraw/zinc/46/99/38/1097469938.db2.gz PSNRXXWJTUHGMP-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001606934572 1097476134 /nfs/dbraw/zinc/47/61/34/1097476134.db2.gz GWSRICJBEVACOC-UHFFFAOYSA-N -2 3 349.272 2.843 20 0 EFADHL COc1cccc(-c2nc(COc3cccc(C(=O)[O-])c3)no2)c1[O-] ZINC001607303274 1097590675 /nfs/dbraw/zinc/59/06/75/1097590675.db2.gz PAMOKQHVBRIXAC-UHFFFAOYSA-N -2 3 342.307 2.728 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001607410118 1097622780 /nfs/dbraw/zinc/62/27/80/1097622780.db2.gz PYTWHGDDKGESTD-SSDOTTSWSA-N -2 3 338.410 2.760 20 0 EFADHL Cc1[nH]c(C(=O)[C@H](C)OC(=O)c2cc3occc3[n-]2)c(C)c1C(=O)[O-] ZINC001607485822 1097639102 /nfs/dbraw/zinc/63/91/02/1097639102.db2.gz IGAXMYUXHMNXOH-VIFPVBQESA-N -2 3 344.323 2.832 20 0 EFADHL Cc1c(C(=O)[O-])csc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC001607521955 1097649934 /nfs/dbraw/zinc/64/99/34/1097649934.db2.gz RWQQRJNXQMEJGI-UHFFFAOYSA-N -2 3 328.349 2.849 20 0 EFADHL Cc1cc(=O)[n-]c([C@H](C)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])n1 ZINC001607699477 1097703483 /nfs/dbraw/zinc/70/34/83/1097703483.db2.gz PBXRISJKSAFXFU-FZMZJTMJSA-N -2 3 341.367 2.583 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CC3CCC2CC3)oc1C(=O)[O-] ZINC001607705808 1097704037 /nfs/dbraw/zinc/70/40/37/1097704037.db2.gz UIAQQPVJVUXECH-YWPUVAFDSA-N -2 3 341.429 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC2(C3CCC3)CCC2)oc1C(=O)[O-] ZINC001607707391 1097704859 /nfs/dbraw/zinc/70/48/59/1097704859.db2.gz GWCBWDQEPSUICH-UHFFFAOYSA-N -2 3 327.402 2.535 20 0 EFADHL Cc1ccc(C(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)c([O-])c1 ZINC001607728816 1097712248 /nfs/dbraw/zinc/71/22/48/1097712248.db2.gz SSUOZPAZDPALBE-LLVKDONJSA-N -2 3 346.408 2.875 20 0 EFADHL Cc1ccc(C[C@H](SCCC[N-]C(=O)C(F)(F)F)C(=O)[O-])cc1 ZINC001607775418 1097728952 /nfs/dbraw/zinc/72/89/52/1097728952.db2.gz GCXDABDXVSEHPB-LBPRGKRZSA-N -2 3 349.374 2.793 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc3ccccc32)o1 ZINC001607818079 1097742795 /nfs/dbraw/zinc/74/27/95/1097742795.db2.gz HJXGVHDMXKTTQN-MRXNPFEDSA-N -2 3 345.376 2.845 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c(C(=O)[O-])c1 ZINC001607821797 1097743091 /nfs/dbraw/zinc/74/30/91/1097743091.db2.gz CDOOUTYISSNKQS-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cn1c(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1C(=O)[O-] ZINC001608085426 1097830520 /nfs/dbraw/zinc/83/05/20/1097830520.db2.gz CZRRJLXDFUXHPK-UHFFFAOYSA-N -2 3 342.395 2.524 20 0 EFADHL O=C([O-])c1c(F)ccc(F)c1[N-]C(=O)c1cc(-c2cccnc2)on1 ZINC001608497105 1097931931 /nfs/dbraw/zinc/93/19/31/1097931931.db2.gz YQSZCECSBIWXNE-UHFFFAOYSA-N -2 3 345.261 2.965 20 0 EFADHL O=C([O-])c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1Cl ZINC001608504945 1097934561 /nfs/dbraw/zinc/93/45/61/1097934561.db2.gz JSHFBGCTYZTSSL-UHFFFAOYSA-N -2 3 333.731 2.664 20 0 EFADHL O=C([O-])c1c[nH]c2cc(NC(=O)c3c[n-]c4ccccc4c3=O)ccc12 ZINC001608514595 1097938013 /nfs/dbraw/zinc/93/80/13/1097938013.db2.gz ZNVCXFMKMBWYIP-UHFFFAOYSA-N -2 3 347.330 2.960 20 0 EFADHL O=C([O-])[C@H](CS(=O)(=O)[N-]c1cccc2[nH]ccc21)c1ccccc1 ZINC001608539578 1097945105 /nfs/dbraw/zinc/94/51/05/1097945105.db2.gz FNLLGKQZEZBRDR-CQSZACIVSA-N -2 3 344.392 2.778 20 0 EFADHL O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(O)cc1[O-] ZINC001608596804 1097964265 /nfs/dbraw/zinc/96/42/65/1097964265.db2.gz FJHICAXTXMIULA-DOMZBBRYSA-N -2 3 333.384 2.593 20 0 EFADHL O=C([O-])CCSc1cc(Cl)ccc1[N-]C(=O)c1ncccn1 ZINC001608734211 1098003700 /nfs/dbraw/zinc/00/37/00/1098003700.db2.gz VFEUQSVAYHOHFG-UHFFFAOYSA-N -2 3 337.788 2.949 20 0 EFADHL O=C([O-])C[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC001608769623 1098014809 /nfs/dbraw/zinc/01/48/09/1098014809.db2.gz UZMRKFBTRLYRNS-GFCCVEGCSA-N -2 3 333.771 2.861 20 0 EFADHL O=C([O-])C[C@H](Cc1ccccc1)NC(=O)c1cc([O-])ccc1Cl ZINC001608774406 1098017448 /nfs/dbraw/zinc/01/74/48/1098017448.db2.gz UZMRKFBTRLYRNS-LBPRGKRZSA-N -2 3 333.771 2.861 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCC[C@H]2C=CCC2)c1F ZINC001608827963 1098035543 /nfs/dbraw/zinc/03/55/43/1098035543.db2.gz GQRMHFQGVSYVKH-JTQLQIEISA-N -2 3 345.367 2.688 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC001608846662 1098043478 /nfs/dbraw/zinc/04/34/78/1098043478.db2.gz NYASPHUZZKSIJU-JTQLQIEISA-N -2 3 339.747 2.504 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)cc1Cl ZINC001608860299 1098047834 /nfs/dbraw/zinc/04/78/34/1098047834.db2.gz DOSVXENHVHHXPC-IWSPIJDZSA-N -2 3 347.795 2.644 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3ccc(Cl)cc32)o1 ZINC001608911568 1098069549 /nfs/dbraw/zinc/06/95/49/1098069549.db2.gz QYWAEHLGQJIXFJ-NSHDSACASA-N -2 3 341.772 2.597 20 0 EFADHL O=C([O-])c1cccc(Cl)c1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC001608933269 1098080217 /nfs/dbraw/zinc/08/02/17/1098080217.db2.gz BXTUMMYOCDUXSE-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCC[C@@H](c2ccccc2)C1 ZINC001608956371 1098090634 /nfs/dbraw/zinc/09/06/34/1098090634.db2.gz QQTGHYSYRYIFBT-KGLIPLIRSA-N -2 3 349.408 2.983 20 0 EFADHL O=C([O-])c1coc(C(=O)[N-]c2nnc(Cc3ccccc3F)s2)c1 ZINC001608987414 1098100174 /nfs/dbraw/zinc/10/01/74/1098100174.db2.gz BABUFUKEPTYHRA-UHFFFAOYSA-N -2 3 347.327 2.812 20 0 EFADHL O=C([O-])c1csc(SCc2noc(-c3ccccc3[O-])n2)n1 ZINC001608994210 1098103048 /nfs/dbraw/zinc/10/30/48/1098103048.db2.gz CRSLWROETNVDDB-UHFFFAOYSA-N -2 3 335.366 2.889 20 0 EFADHL CC(=Cc1cc(Cl)cs1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060574 1098126352 /nfs/dbraw/zinc/12/63/52/1098126352.db2.gz RDVNGHWXMCXCGZ-ZZXKWVIFSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1cc(Cl)cs1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060574 1098126355 /nfs/dbraw/zinc/12/63/55/1098126355.db2.gz RDVNGHWXMCXCGZ-ZZXKWVIFSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1cc(C)ccc1F)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060462 1098126696 /nfs/dbraw/zinc/12/66/96/1098126696.db2.gz MGIOVQMKKWKKJK-CLFYSBASSA-N -2 3 326.335 2.679 20 0 EFADHL CC(=Cc1cc(C)ccc1F)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060462 1098126699 /nfs/dbraw/zinc/12/66/99/1098126699.db2.gz MGIOVQMKKWKKJK-CLFYSBASSA-N -2 3 326.335 2.679 20 0 EFADHL O=C(Nc1ccc(Cl)c(F)c1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001609564620 1098381766 /nfs/dbraw/zinc/38/17/66/1098381766.db2.gz SSOXCGGOWNEFDM-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccc3ncccc3c2)n1 ZINC001609571727 1098384299 /nfs/dbraw/zinc/38/42/99/1098384299.db2.gz BHQGXTOQRLZWLL-QPJJXVBHSA-N -2 3 344.334 2.679 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccc3ncccc3c2)n1 ZINC001609571727 1098384303 /nfs/dbraw/zinc/38/43/03/1098384303.db2.gz BHQGXTOQRLZWLL-QPJJXVBHSA-N -2 3 344.334 2.679 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cccc(Cl)c2F)n1 ZINC001609572259 1098385679 /nfs/dbraw/zinc/38/56/79/1098385679.db2.gz NSHIPAVCSVHBQM-GQCTYLIASA-N -2 3 345.721 2.923 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cccc(Cl)c2F)n1 ZINC001609572259 1098385685 /nfs/dbraw/zinc/38/56/85/1098385685.db2.gz NSHIPAVCSVHBQM-GQCTYLIASA-N -2 3 345.721 2.923 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1[O-] ZINC001609629005 1098409303 /nfs/dbraw/zinc/40/93/03/1098409303.db2.gz KJEQKJYRQZMOJA-DIFFPNOSSA-N -2 3 341.363 2.787 20 0 EFADHL CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001609959212 1098506946 /nfs/dbraw/zinc/50/69/46/1098506946.db2.gz KKBWLHNZLNLORW-MNOVXSKESA-N -2 3 346.474 2.726 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC001610056027 1098532976 /nfs/dbraw/zinc/53/29/76/1098532976.db2.gz SIUZZUHFSNBBKO-VIFPVBQESA-N -2 3 345.726 2.657 20 0 EFADHL CCc1ccc(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)c([O-])c1 ZINC001610060264 1098534959 /nfs/dbraw/zinc/53/49/59/1098534959.db2.gz LSOPYHMUQHWAGW-UHFFFAOYSA-N -2 3 325.364 2.851 20 0 EFADHL CCc1ccc([O-])c(C(=O)N(CCc2ccccc2)CC(=O)[O-])c1 ZINC001610063370 1098535827 /nfs/dbraw/zinc/53/58/27/1098535827.db2.gz YXABXUSBXLALDN-UHFFFAOYSA-N -2 3 327.380 2.724 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1ccsc1C(=O)[O-])c1ccccc1 ZINC001610227077 1098580813 /nfs/dbraw/zinc/58/08/13/1098580813.db2.gz HJTWLMAHUNRDRP-GFCCVEGCSA-N -2 3 341.410 2.576 20 0 EFADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)csc1C(=O)[O-] ZINC001610230651 1098581844 /nfs/dbraw/zinc/58/18/44/1098581844.db2.gz NUKUOKXRIMDPHW-JTQLQIEISA-N -2 3 335.447 2.558 20 0 EFADHL Cc1c([N-]S(=O)(=O)c2ccc(F)cc2)ccc(F)c1C(=O)[O-] ZINC001610427085 1098672070 /nfs/dbraw/zinc/67/20/70/1098672070.db2.gz KXMKSZWCCLYJIB-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1ccc(CC(C)(C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)cc1 ZINC001610497906 1098714355 /nfs/dbraw/zinc/71/43/55/1098714355.db2.gz RBXJVGQFQMQUBO-UHFFFAOYSA-N -2 3 337.397 2.586 20 0 EFADHL O=C([O-])C1(CS(=O)(=O)[N-]c2cccc(F)c2F)CCCCC1 ZINC001610728818 1098854238 /nfs/dbraw/zinc/85/42/38/1098854238.db2.gz WZWISFIURXDNJU-UHFFFAOYSA-N -2 3 333.356 2.742 20 0 EFADHL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)c1 ZINC001610864794 1098944183 /nfs/dbraw/zinc/94/41/83/1098944183.db2.gz VJSFATULVNLXSR-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC001610867178 1098946107 /nfs/dbraw/zinc/94/61/07/1098946107.db2.gz KSPGWKAQMOOJGV-DZGCQCFKSA-N -2 3 349.408 2.983 20 0 EFADHL O=C([O-])c1sc2ccccc2c1CNC(=O)c1c([O-])cccc1O ZINC001610874228 1098949496 /nfs/dbraw/zinc/94/94/96/1098949496.db2.gz RNQQLRMVFZXOGG-UHFFFAOYSA-N -2 3 343.360 2.941 20 0 EFADHL O=C(N[C@H](c1nnn[n-]1)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC001634275175 1100594853 /nfs/dbraw/zinc/59/48/53/1100594853.db2.gz PGFSHHMRRAFXRF-INIZCTEOSA-N -2 3 345.362 2.578 20 0 EFADHL O=C(N[C@H](c1nn[n-]n1)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC001634275175 1100594858 /nfs/dbraw/zinc/59/48/58/1100594858.db2.gz PGFSHHMRRAFXRF-INIZCTEOSA-N -2 3 345.362 2.578 20 0 EFADHL O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cc(Br)ccc1[O-] ZINC001637290291 1100770708 /nfs/dbraw/zinc/77/07/08/1100770708.db2.gz WNVYQTSVZVZWEZ-UHFFFAOYSA-N -2 3 348.156 2.989 20 0 EFADHL CCOC(=O)c1cnc(NC(=O)c2ccc3ccccc3c2[O-])[n-]1 ZINC001642163313 1101194234 /nfs/dbraw/zinc/19/42/34/1101194234.db2.gz VKVXFPJOXAKSDN-UHFFFAOYSA-N -2 3 325.324 2.698 20 0 EFADHL CCOC(=O)c1c[n-]c(NC(=O)c2ccc3ccccc3c2[O-])n1 ZINC001642163313 1101194236 /nfs/dbraw/zinc/19/42/36/1101194236.db2.gz VKVXFPJOXAKSDN-UHFFFAOYSA-N -2 3 325.324 2.698 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cc(Cl)cc(C(=O)[O-])c2)ccc1N ZINC001211964951 1104748409 /nfs/dbraw/zinc/74/84/09/1104748409.db2.gz GQSJTDJGWAOBRJ-UHFFFAOYSA-N -2 3 340.788 2.730 20 0 EFADHL C[C@H](OCCP(=O)([O-])[O-])c1cccc(Br)c1F ZINC001224603506 1109955902 /nfs/dbraw/zinc/95/59/02/1109955902.db2.gz ZFYNMMYAFIXSOP-ZETCQYMHSA-N -2 3 327.086 2.844 20 0 EFADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)c(F)cc1F ZINC000054829136 214256598 /nfs/dbraw/zinc/25/65/98/214256598.db2.gz YHHZGYAPDALYDY-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(C)c1 ZINC000055581664 214332170 /nfs/dbraw/zinc/33/21/70/214332170.db2.gz JBXGIDAFVRUEMK-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000037405830 213145019 /nfs/dbraw/zinc/14/50/19/213145019.db2.gz JPNBNZFFFVPPED-UHFFFAOYSA-N -2 3 340.228 2.917 20 0 EFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000036965490 213127377 /nfs/dbraw/zinc/12/73/77/213127377.db2.gz JVZBZLGWXUKIOI-CPCISQLKSA-N -2 3 340.228 2.771 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000036883524 213124405 /nfs/dbraw/zinc/12/44/05/213124405.db2.gz INALBZWUNYYHBJ-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000036838337 213122390 /nfs/dbraw/zinc/12/23/90/213122390.db2.gz FMMZMCLPOWPARY-MRVPVSSYSA-N -2 3 326.201 2.525 20 0 EFADHL CCCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000035085534 213006042 /nfs/dbraw/zinc/00/60/42/213006042.db2.gz HOCDWYGWJKXBIW-SECBINFHSA-N -2 3 340.228 2.915 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)c(F)c1 ZINC000072304008 216142423 /nfs/dbraw/zinc/14/24/23/216142423.db2.gz OAWRJEYAODHNKA-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000020301757 212117706 /nfs/dbraw/zinc/11/77/06/212117706.db2.gz LJLWZWHKNMXRDN-UHFFFAOYSA-N -2 3 340.228 2.917 20 0 EFADHL CCOc1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427298363 247335311 /nfs/dbraw/zinc/33/53/11/247335311.db2.gz BRRQPGJTQZTUNH-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cccc1C(=O)[O-] ZINC000095381554 218313685 /nfs/dbraw/zinc/31/36/85/218313685.db2.gz IEXPEUSYTJULBG-SNVBAGLBSA-N -2 3 347.392 2.817 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnoc2-c2ccccc2)c1 ZINC000346415134 142201138 /nfs/dbraw/zinc/20/11/38/142201138.db2.gz WEPMCDKXDKEBPT-UHFFFAOYSA-N -2 3 346.364 2.857 20 0 EFADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000342434745 145125661 /nfs/dbraw/zinc/12/56/61/145125661.db2.gz JEFVSHHOGAKGFM-DOMZBBRYSA-N -2 3 341.429 2.576 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1F ZINC000342777546 145189737 /nfs/dbraw/zinc/18/97/37/145189737.db2.gz IKZFYMVPFQTEIJ-UHFFFAOYSA-N -2 3 341.360 2.739 20 0 EFADHL Cc1nc(C=Cc2ccccc2OC(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000347418273 145864084 /nfs/dbraw/zinc/86/40/84/145864084.db2.gz NLLUCKSYZVHAME-SREVYHEPSA-N -2 3 336.294 2.890 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1Cl ZINC000352101376 146289771 /nfs/dbraw/zinc/28/97/71/146289771.db2.gz ZCGHUCFXDTXKJB-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1Cl ZINC000352101376 146289772 /nfs/dbraw/zinc/28/97/72/146289772.db2.gz ZCGHUCFXDTXKJB-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1cn[n-]c1-c1ccccn1 ZINC000353099689 146396327 /nfs/dbraw/zinc/39/63/27/146396327.db2.gz OUAJDLOFEOKFAH-UHFFFAOYSA-N -2 3 348.391 2.664 20 0 EFADHL O=C(N=c1nc(-c2ccccc2)[n-]s1)c1c[n-]nc1-c1ccccn1 ZINC000353099689 146396328 /nfs/dbraw/zinc/39/63/28/146396328.db2.gz OUAJDLOFEOKFAH-UHFFFAOYSA-N -2 3 348.391 2.664 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000356500573 147261713 /nfs/dbraw/zinc/26/17/13/147261713.db2.gz YBUMYPIMMYSMQA-UHFFFAOYSA-N -2 3 347.392 2.737 20 0 EFADHL COc1ccc(C=CC(=O)[N-]N=c2cnc3ccccc3[n-]2)cc1O ZINC000125317247 544615902 /nfs/dbraw/zinc/61/59/02/544615902.db2.gz WSNBXIRCJSKQKI-VQHVLOKHSA-N -2 3 336.351 2.501 20 0 EFADHL COc1cc(C=CC(=O)[N-]N=c2cnc3ccccc3[n-]2)ccc1F ZINC000163550834 544836617 /nfs/dbraw/zinc/83/66/17/544836617.db2.gz VUMUUWLZSOVBOL-VQHVLOKHSA-N -2 3 338.342 2.934 20 0 EFADHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1cc(-c2cccs2)on1 ZINC000339498468 275001574 /nfs/dbraw/zinc/00/15/74/275001574.db2.gz SHXUJGYIKOFOJC-UHFFFAOYSA-N -2 3 338.352 2.836 20 0 EFADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000087672997 292828534 /nfs/dbraw/zinc/82/85/34/292828534.db2.gz CIVBCDYAHACPGP-IUCAKERBSA-N -2 3 339.866 2.959 20 0 EFADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)CC(=O)[O-] ZINC000290927945 294222551 /nfs/dbraw/zinc/22/25/51/294222551.db2.gz INWMHXLJEHDDDU-SSDOTTSWSA-N -2 3 345.364 2.546 20 0 EFADHL CCOC(=O)c1ccc([N-]S(=O)(=O)C2=CCCCC2)c([O-])c1 ZINC000294254217 295136099 /nfs/dbraw/zinc/13/60/99/295136099.db2.gz QEOGXKLTJMXDGG-UHFFFAOYSA-N -2 3 325.386 2.769 20 0 EFADHL COc1cccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000263438394 295288293 /nfs/dbraw/zinc/28/82/93/295288293.db2.gz PBQSFAQTLXRQLN-AWEZNQCLSA-N -2 3 343.379 2.607 20 0 EFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000297228288 310868736 /nfs/dbraw/zinc/86/87/36/310868736.db2.gz OQTXIVQLAFZBCY-MRVPVSSYSA-N -2 3 325.839 2.632 20 0 EFADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000309745230 311228414 /nfs/dbraw/zinc/22/84/14/311228414.db2.gz XINIDEQRPNZRIS-IUCAKERBSA-N -2 3 337.850 2.713 20 0 EFADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000316302352 311235117 /nfs/dbraw/zinc/23/51/17/311235117.db2.gz MGBGDSLIMMESAZ-NXEZZACHSA-N -2 3 335.372 2.523 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(C(=O)[O-])c1 ZINC000321788481 311238967 /nfs/dbraw/zinc/23/89/67/311238967.db2.gz ULADIEFNKZDTBQ-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000323927827 311240798 /nfs/dbraw/zinc/24/07/98/311240798.db2.gz PPKHISFGXXHCKR-CQSZACIVSA-N -2 3 347.383 2.667 20 0 EFADHL O=C(/C=C/c1cncc([O-])c1)Nc1ccc(Br)cc1[O-] ZINC000492472315 314002599 /nfs/dbraw/zinc/00/25/99/314002599.db2.gz JVXCMZFEAVECII-DAFODLJHSA-N -2 3 335.157 2.907 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)cc1 ZINC000497960471 315398043 /nfs/dbraw/zinc/39/80/43/315398043.db2.gz PQYDNVUGWDKYGA-UHFFFAOYSA-N -2 3 347.392 2.974 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)Cc2ccccc2C)cc1C(=O)[O-] ZINC000521231554 316010833 /nfs/dbraw/zinc/01/08/33/316010833.db2.gz SRPDZGOCBGQPFI-NSHDSACASA-N -2 3 337.397 2.504 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)c(Cl)cc1F ZINC000525958159 316263909 /nfs/dbraw/zinc/26/39/09/316263909.db2.gz YGGSCOHBNRNNQE-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000547548354 318018404 /nfs/dbraw/zinc/01/84/04/318018404.db2.gz JJKXLBNILTVALT-SNVBAGLBSA-N -2 3 331.777 2.536 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000547878087 318051078 /nfs/dbraw/zinc/05/10/78/318051078.db2.gz YUDNQQHZVOVFIM-VIFPVBQESA-N -2 3 333.818 2.696 20 0 EFADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2cc(F)cc(F)c2)(CC(=O)[O-])C1 ZINC000547899429 318051727 /nfs/dbraw/zinc/05/17/27/318051727.db2.gz VVSZPMSRMDIHDH-ZUZCIYMTSA-N -2 3 347.383 2.524 20 0 EFADHL Cc1cc(CS(=O)(=O)[N-]c2c(Cl)cc(C)cc2C(=O)[O-])on1 ZINC000547900047 318051807 /nfs/dbraw/zinc/05/18/07/318051807.db2.gz HJNPKGOOUXMFMG-UHFFFAOYSA-N -2 3 344.776 2.585 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c(F)cc1F ZINC000547938434 318053815 /nfs/dbraw/zinc/05/38/15/318053815.db2.gz WJMPPKKLPMYRCP-SNVBAGLBSA-N -2 3 349.399 2.831 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-] ZINC000547939131 318054218 /nfs/dbraw/zinc/05/42/18/318054218.db2.gz YUPNABVUKFSZIV-QMMMGPOBSA-N -2 3 345.804 2.926 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1F ZINC000548196006 318083840 /nfs/dbraw/zinc/08/38/40/318083840.db2.gz MDICHVZAHOTIIM-HNNXBMFYSA-N -2 3 349.339 2.676 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1cccs1 ZINC000548197540 318084005 /nfs/dbraw/zinc/08/40/05/318084005.db2.gz GEWMRQXNMPXEQF-CYBMUJFWSA-N -2 3 337.378 2.599 20 0 EFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000548229555 318085312 /nfs/dbraw/zinc/08/53/12/318085312.db2.gz ULNCTKXADMPQQO-SECBINFHSA-N -2 3 337.800 2.791 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])c(F)cc1F ZINC000548227434 318085511 /nfs/dbraw/zinc/08/55/11/318085511.db2.gz PLGMHEZGWCDZAP-ZFWWWQNUSA-N -2 3 347.383 2.585 20 0 EFADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000548260929 318086746 /nfs/dbraw/zinc/08/67/46/318086746.db2.gz XEWOMBQVABSACZ-FZMZJTMJSA-N -2 3 347.383 2.667 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000548529360 318117870 /nfs/dbraw/zinc/11/78/70/318117870.db2.gz GJFUFTOUZOSILK-NSHDSACASA-N -2 3 331.409 2.549 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)c1 ZINC000548540629 318118697 /nfs/dbraw/zinc/11/86/97/318118697.db2.gz AMPNVLFUAXHGPZ-MLGOLLRUSA-N -2 3 343.420 2.694 20 0 EFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000548590301 318121303 /nfs/dbraw/zinc/12/13/03/318121303.db2.gz JRAUKYFQLFNLGB-NSHDSACASA-N -2 3 337.800 2.647 20 0 EFADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000548591997 318121455 /nfs/dbraw/zinc/12/14/55/318121455.db2.gz MTRUPLFCHTZZBQ-GXFFZTMASA-N -2 3 331.409 2.692 20 0 EFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000551997713 318234931 /nfs/dbraw/zinc/23/49/31/318234931.db2.gz XUVHIXLZZRKFOC-JTQLQIEISA-N -2 3 338.212 2.525 20 0 EFADHL O=C(N=c1ccc([O-])n[n-]1)c1c2ccccc2nc2c1CCCCC2 ZINC000554963433 318342166 /nfs/dbraw/zinc/34/21/66/318342166.db2.gz WSYIZCHVFFWEOI-UHFFFAOYSA-N -2 3 334.379 2.674 20 0 EFADHL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000556411914 318389643 /nfs/dbraw/zinc/38/96/43/318389643.db2.gz KXHGVGBSUOZDSA-OAHLLOKOSA-N -2 3 349.399 2.913 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000563071328 318736821 /nfs/dbraw/zinc/73/68/21/318736821.db2.gz BFYHMQHBZIREQV-KXUCPTDWSA-N -2 3 347.458 2.558 20 0 EFADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000565748001 318997670 /nfs/dbraw/zinc/99/76/70/318997670.db2.gz WSCNPNWHBVWSLE-UHFFFAOYSA-N -2 3 343.763 2.907 20 0 EFADHL CC[C@@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1nccs1 ZINC000566007683 319023188 /nfs/dbraw/zinc/02/31/88/319023188.db2.gz NMKUNECCHGOZCE-GFCCVEGCSA-N -2 3 346.455 2.507 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)[C@H]1C ZINC000566179733 319044658 /nfs/dbraw/zinc/04/46/58/319044658.db2.gz NNGXBEMZELJIJC-OPRDCNLKSA-N -2 3 347.458 2.558 20 0 EFADHL Cc1csc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)c1 ZINC000566840304 319114526 /nfs/dbraw/zinc/11/45/26/319114526.db2.gz MFIJFWOJOFUGTE-HZMBPMFUSA-N -2 3 331.459 2.616 20 0 EFADHL C[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@@H]1C(=O)[O-] ZINC000567166236 319144627 /nfs/dbraw/zinc/14/46/27/319144627.db2.gz UJKMHRSIQOGFQI-JQWIXIFHSA-N -2 3 341.367 2.624 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC1(CC(C)C)CC1 ZINC000567792288 319211665 /nfs/dbraw/zinc/21/16/65/319211665.db2.gz AYOOLSOHLRKCMY-UHFFFAOYSA-N -2 3 347.458 2.560 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)o1 ZINC000567805564 319213162 /nfs/dbraw/zinc/21/31/62/319213162.db2.gz LVGXYRWYYWGQJB-GRYCIOLGSA-N -2 3 327.402 2.615 20 0 EFADHL O=C([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000568698580 319308744 /nfs/dbraw/zinc/30/87/44/319308744.db2.gz MXUDKMDSXFNKRR-UHFFFAOYSA-N -2 3 331.699 2.732 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])C1CC1 ZINC000572762708 319701876 /nfs/dbraw/zinc/70/18/76/319701876.db2.gz BEUIPANJRGVIGN-LLVKDONJSA-N -2 3 347.820 2.513 20 0 EFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc3ccccc3c2F)C1 ZINC000575234837 319936818 /nfs/dbraw/zinc/93/68/18/319936818.db2.gz BJZWAPMGZCWYRX-NEPJUHHUSA-N -2 3 337.372 2.511 20 0 EFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000211093966 323529986 /nfs/dbraw/zinc/52/99/86/323529986.db2.gz AWGNZURFPPYBNF-LBPRGKRZSA-N -2 3 340.228 2.773 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccccc2F)c1F ZINC000396541234 323792546 /nfs/dbraw/zinc/79/25/46/323792546.db2.gz RQGIVWFLTHZVGA-UHFFFAOYSA-N -2 3 327.308 2.605 20 0 EFADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1c(OC)cc(OC)cc1C(=O)[O-] ZINC000581194511 324325661 /nfs/dbraw/zinc/32/56/61/324325661.db2.gz DMVOXMHEXKYXTE-LLVKDONJSA-N -2 3 345.417 2.722 20 0 EFADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000581413972 324371026 /nfs/dbraw/zinc/37/10/26/324371026.db2.gz JWVRDCQVPQTYHV-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)Cc2cccs2)cc1C(=O)[O-] ZINC000581427075 324375426 /nfs/dbraw/zinc/37/54/26/324375426.db2.gz BDSBFCZICOUMLM-SECBINFHSA-N -2 3 343.426 2.505 20 0 EFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000583238665 324767060 /nfs/dbraw/zinc/76/70/60/324767060.db2.gz IBQXTUHYUVNRNV-SECBINFHSA-N -2 3 337.800 2.791 20 0 EFADHL C[C@]1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCC[C@H]1C(=O)[O-] ZINC000583497949 324822815 /nfs/dbraw/zinc/82/28/15/324822815.db2.gz PVNDYJZOHCMFNL-UFBFGSQYSA-N -2 3 337.850 2.713 20 0 EFADHL CS(=O)(=O)[N-]c1ccc(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)cc1 ZINC000096400968 473379069 /nfs/dbraw/zinc/37/90/69/473379069.db2.gz JXTYXVFGADXEPM-WCIBSUBMSA-N -2 3 345.376 2.652 20 0 EFADHL COc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000621999381 479875413 /nfs/dbraw/zinc/87/54/13/479875413.db2.gz NMISTLWSKQUJRJ-CYBMUJFWSA-N -2 3 343.379 2.764 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1 ZINC000388428628 476776373 /nfs/dbraw/zinc/77/63/73/476776373.db2.gz FHCWWZOONVJXKP-LLVKDONJSA-N -2 3 340.426 2.661 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000395045866 476841953 /nfs/dbraw/zinc/84/19/53/476841953.db2.gz LZQGHYFIZWELKB-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCCC1 ZINC000013262899 471823821 /nfs/dbraw/zinc/82/38/21/471823821.db2.gz DKYALMPPVUICQF-UHFFFAOYSA-N -2 3 335.784 2.545 20 0 EFADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000035085568 471994011 /nfs/dbraw/zinc/99/40/11/471994011.db2.gz HZFDUGXENGRPID-NSHDSACASA-N -2 3 340.228 2.915 20 0 EFADHL Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cc1C(=O)[O-] ZINC000020549646 471990528 /nfs/dbraw/zinc/99/05/28/471990528.db2.gz SJXWXPVWRFNHQH-UHFFFAOYSA-N -2 3 349.195 2.831 20 0 EFADHL CCC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000035651064 471996357 /nfs/dbraw/zinc/99/63/57/471996357.db2.gz UZBLNKZYAGNTPR-MRVPVSSYSA-N -2 3 335.809 2.514 20 0 EFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000037374593 472012040 /nfs/dbraw/zinc/01/20/40/472012040.db2.gz ZKDTYQLHMJBMMG-NSHDSACASA-N -2 3 340.228 2.771 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1C ZINC000032589625 472445281 /nfs/dbraw/zinc/44/52/81/472445281.db2.gz ZGSDIGKSXZKRJU-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1C(=O)[O-] ZINC000059857038 472630493 /nfs/dbraw/zinc/63/04/93/472630493.db2.gz XYWRDAPLJBLEJV-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1cc(F)cc(Cl)c1[O-] ZINC000120329425 472669153 /nfs/dbraw/zinc/66/91/53/472669153.db2.gz NWDOBACJNSYXJI-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1cc(F)cc(Cl)c1[O-] ZINC000120329425 472669159 /nfs/dbraw/zinc/66/91/59/472669159.db2.gz NWDOBACJNSYXJI-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1n[n-]c(-c2ccccn2)n1)c1cc(F)cc(Cl)c1[O-] ZINC000120329425 472669164 /nfs/dbraw/zinc/66/91/64/472669164.db2.gz NWDOBACJNSYXJI-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000131849838 472697237 /nfs/dbraw/zinc/69/72/37/472697237.db2.gz QAEIFXBTERTLLY-QMMMGPOBSA-N -2 3 340.228 2.915 20 0 EFADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)ccc2F)c1 ZINC000078710469 472756943 /nfs/dbraw/zinc/75/69/43/472756943.db2.gz BRMIMIWTJPAYGF-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000047906710 472779275 /nfs/dbraw/zinc/77/92/75/472779275.db2.gz DHSYIMBQQHSYGA-UHFFFAOYSA-N -2 3 335.381 2.513 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C(=O)[O-] ZINC000047949027 472787380 /nfs/dbraw/zinc/78/73/80/472787380.db2.gz LIWXHJDPWZNXIW-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC000622739616 480021990 /nfs/dbraw/zinc/02/19/90/480021990.db2.gz RQTTWESRLZBFQK-UHFFFAOYSA-N -2 3 347.390 2.710 20 0 EFADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2ccc(C(C)C)cc2[O-])n1 ZINC000622739640 480022852 /nfs/dbraw/zinc/02/28/52/480022852.db2.gz SMWXATGGDRBJOW-UHFFFAOYSA-N -2 3 329.400 2.985 20 0 EFADHL Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cccc1C(=O)[O-] ZINC000065844516 473017949 /nfs/dbraw/zinc/01/79/49/473017949.db2.gz IUCCNNIFQAZXHN-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000109091782 473078412 /nfs/dbraw/zinc/07/84/12/473078412.db2.gz JZGOHLFOLCUVAB-UHFFFAOYSA-N -2 3 340.788 2.669 20 0 EFADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1C ZINC000074983409 473107487 /nfs/dbraw/zinc/10/74/87/473107487.db2.gz RPASLDWCCNEVJY-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000136255722 473146635 /nfs/dbraw/zinc/14/66/35/473146635.db2.gz REIVGEGHSDDXQK-SNVBAGLBSA-N -2 3 340.228 2.771 20 0 EFADHL Cc1n[nH]c2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)ccc12 ZINC000093909603 473161290 /nfs/dbraw/zinc/16/12/90/473161290.db2.gz UYVAIAFMPCLEEG-UHFFFAOYSA-N -2 3 345.380 2.679 20 0 EFADHL Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)ccc12 ZINC000093909603 473161294 /nfs/dbraw/zinc/16/12/94/473161294.db2.gz UYVAIAFMPCLEEG-UHFFFAOYSA-N -2 3 345.380 2.679 20 0 EFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000123891345 473195419 /nfs/dbraw/zinc/19/54/19/473195419.db2.gz RTYMXQWHRRAMDT-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000165041202 473505772 /nfs/dbraw/zinc/50/57/72/473505772.db2.gz RSBLRDBBIYCJTI-UHFFFAOYSA-N -2 3 337.800 2.648 20 0 EFADHL O=C([O-])[C@H]1CCCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000263415915 473753409 /nfs/dbraw/zinc/75/34/09/473753409.db2.gz KABMLICZNUCQNA-MRXNPFEDSA-N -2 3 325.364 2.672 20 0 EFADHL O=C([O-])C1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000263569369 473779883 /nfs/dbraw/zinc/77/98/83/473779883.db2.gz HKBZYASBLQVAIY-UHFFFAOYSA-N -2 3 339.391 2.920 20 0 EFADHL O=C([O-])CCCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000282063557 473935388 /nfs/dbraw/zinc/93/53/88/473935388.db2.gz UTRKGRUHWVBLBD-UHFFFAOYSA-N -2 3 326.201 2.527 20 0 EFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000275017318 474042998 /nfs/dbraw/zinc/04/29/98/474042998.db2.gz AAXRRNSNPPRKEI-QMMMGPOBSA-N -2 3 337.800 2.647 20 0 EFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000275168917 474092919 /nfs/dbraw/zinc/09/29/19/474092919.db2.gz BTWOVFMYFLNZNS-MGCOHNPYSA-N -2 3 349.811 2.648 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCC2)sc1Cl ZINC000231807672 474263996 /nfs/dbraw/zinc/26/39/96/474263996.db2.gz RMJMPEFWKUJXIB-UHFFFAOYSA-N -2 3 337.850 2.633 20 0 EFADHL CCc1cccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)c1 ZINC000175689276 474282868 /nfs/dbraw/zinc/28/28/68/474282868.db2.gz GIDQFRBKMSHBEU-UHFFFAOYSA-N -2 3 334.397 2.714 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)ccc1[O-] ZINC000175687038 474282961 /nfs/dbraw/zinc/28/29/61/474282961.db2.gz OTJTWNIDVMTSNW-UHFFFAOYSA-N -2 3 334.397 2.768 20 0 EFADHL COc1ccc(OCCS(=O)(=O)[N-]c2cc(C)ccc2[O-])cc1 ZINC000268070104 474780277 /nfs/dbraw/zinc/78/02/77/474780277.db2.gz JNWJCVQLPRYGOX-UHFFFAOYSA-N -2 3 337.397 2.530 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(Cl)c1 ZINC000340949258 474808650 /nfs/dbraw/zinc/80/86/50/474808650.db2.gz IFHYLMAOYCLLAQ-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000317249624 474887320 /nfs/dbraw/zinc/88/73/20/474887320.db2.gz XMYACRGKQCSZQL-SECBINFHSA-N -2 3 335.372 2.523 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1F ZINC000319613816 474900799 /nfs/dbraw/zinc/90/07/99/474900799.db2.gz LRTDGNHPXZAETR-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000319805520 474904257 /nfs/dbraw/zinc/90/42/57/474904257.db2.gz CLSAXSXVJFDBFX-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000320645369 474915304 /nfs/dbraw/zinc/91/53/04/474915304.db2.gz IVFUXMKIPXYALR-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL C/C=C\c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000341064307 474935671 /nfs/dbraw/zinc/93/56/71/474935671.db2.gz MCYQHVSTYLOVMV-IHWYPQMZSA-N -3 3 333.365 2.924 20 0 EFADHL O=C([O-])CCC1CCN(C(=O)c2cnc3ccccc3c2[O-])CC1 ZINC000324293320 474965763 /nfs/dbraw/zinc/96/57/63/474965763.db2.gz SUIJRLSIRVFECZ-UHFFFAOYSA-N -2 3 328.368 2.657 20 0 EFADHL O=C([O-])CC[C@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000324650832 474974769 /nfs/dbraw/zinc/97/47/69/474974769.db2.gz ZPZVMDOTZPDMDN-GFCCVEGCSA-N -2 3 328.368 2.657 20 0 EFADHL CCCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000325458214 474989112 /nfs/dbraw/zinc/98/91/12/474989112.db2.gz AAZBBZAAWVBGTR-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-])c(Cl)cc1F ZINC000261664223 475016985 /nfs/dbraw/zinc/01/69/85/475016985.db2.gz JNBYDRQCFJXGAG-NSHDSACASA-N -2 3 337.800 2.565 20 0 EFADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000268559044 475036183 /nfs/dbraw/zinc/03/61/83/475036183.db2.gz INNYNRDKDRDWQV-JTQLQIEISA-N -2 3 347.820 2.657 20 0 EFADHL COc1cccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1OC ZINC000347389671 475289046 /nfs/dbraw/zinc/28/90/46/475289046.db2.gz JDYAFVGDAGRHNZ-VQHVLOKHSA-N -2 3 344.367 2.695 20 0 EFADHL Cc1cccn2c(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)cnc12 ZINC000347390756 475290151 /nfs/dbraw/zinc/29/01/51/475290151.db2.gz LZLLBMPTVPPKPM-ALCCZGGFSA-N -2 3 338.367 2.634 20 0 EFADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000296829210 475495333 /nfs/dbraw/zinc/49/53/33/475495333.db2.gz AZLVVFHTLOWHAV-WCQYABFASA-N -2 3 329.393 2.528 20 0 EFADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000297132070 475623205 /nfs/dbraw/zinc/62/32/05/475623205.db2.gz HMOCXHNYDFLANR-IINYFYTJSA-N -2 3 347.383 2.667 20 0 EFADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000297191217 475649287 /nfs/dbraw/zinc/64/92/87/475649287.db2.gz LWADTHLGVKYOOR-GXFFZTMASA-N -2 3 347.383 2.667 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc(C(=O)[O-])c1C ZINC000348458731 475679864 /nfs/dbraw/zinc/67/98/64/475679864.db2.gz WVBRNWGHOOCUSE-UHFFFAOYSA-N -2 3 347.392 2.737 20 0 EFADHL CC[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000297324060 475706650 /nfs/dbraw/zinc/70/66/50/475706650.db2.gz XDRHIRYILAJCNC-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)c1 ZINC000355506294 475992789 /nfs/dbraw/zinc/99/27/89/475992789.db2.gz DFZMDIGGQUIWMI-MWLCHTKSSA-N -2 3 329.393 2.689 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C ZINC000340454473 476043799 /nfs/dbraw/zinc/04/37/99/476043799.db2.gz LQINDIXPONFTCF-LBPRGKRZSA-N -2 3 345.804 2.782 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000336833932 476136685 /nfs/dbraw/zinc/13/66/85/476136685.db2.gz HHVUCRBPKLOGGO-UHFFFAOYSA-N -2 3 340.228 2.773 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000336867500 476150466 /nfs/dbraw/zinc/15/04/66/476150466.db2.gz MXZHOHDWZBGGCJ-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL COc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1C(=O)[O-] ZINC000336873932 476158621 /nfs/dbraw/zinc/15/86/21/476158621.db2.gz VPEAEIZEYIKENM-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1F ZINC000336875286 476160179 /nfs/dbraw/zinc/16/01/79/476160179.db2.gz DNGYZXAMRJVLKH-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)ccc1C(=O)[O-] ZINC000336876346 476161512 /nfs/dbraw/zinc/16/15/12/476161512.db2.gz RMLWPSTZUNEKEK-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL CCc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])ccc1F ZINC000350512235 476222639 /nfs/dbraw/zinc/22/26/39/476222639.db2.gz HOBLIXQDLNQSIW-UHFFFAOYSA-N -3 3 339.344 2.593 20 0 EFADHL CCOC(=O)c1ccc([N-]S(=O)(=O)CCC(C)(C)C)c([O-])c1 ZINC000357131889 476253241 /nfs/dbraw/zinc/25/32/41/476253241.db2.gz LHXKUMBOIYAABJ-UHFFFAOYSA-N -2 3 329.418 2.747 20 0 EFADHL CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc([O-])cc3F)n2)cc1 ZINC000350589181 476256827 /nfs/dbraw/zinc/25/68/27/476256827.db2.gz VBIFTBDVZVSGFP-UHFFFAOYSA-N -2 3 349.343 2.620 20 0 EFADHL CCCc1nc(C)c([N-]S(=O)(=O)c2cc(OC)ccc2[O-])s1 ZINC000362730478 476374386 /nfs/dbraw/zinc/37/43/86/476374386.db2.gz XSSREUOCKBFMOX-UHFFFAOYSA-N -2 3 342.442 2.919 20 0 EFADHL C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2ccc(Cl)cc2F)(C(=O)[O-])C1 ZINC000385787095 476762861 /nfs/dbraw/zinc/76/28/61/476762861.db2.gz MWEUMWDFKOTZQL-YMTOWFKASA-N -2 3 349.811 2.791 20 0 EFADHL CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000387634479 476773035 /nfs/dbraw/zinc/77/30/35/476773035.db2.gz RFUJJCMCRGPMNT-MFKMUULPSA-N -2 3 329.393 2.771 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1cc(F)cc(F)c1)CCC(=O)[O-] ZINC000387718035 476773409 /nfs/dbraw/zinc/77/34/09/476773409.db2.gz AASCCNWUBLFAIY-UHFFFAOYSA-N -2 3 335.372 2.524 20 0 EFADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000390336009 476792639 /nfs/dbraw/zinc/79/26/39/476792639.db2.gz UETLKOZKBBLYOO-UHFFFAOYSA-N -2 3 335.381 2.974 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)c(C(=O)[O-])c1 ZINC000391548318 476814432 /nfs/dbraw/zinc/81/44/32/476814432.db2.gz LYRVEAARFASFTI-UHFFFAOYSA-N -2 3 335.381 2.757 20 0 EFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000391796249 476816841 /nfs/dbraw/zinc/81/68/41/476816841.db2.gz IPKJDAGMVHPQES-MRVPVSSYSA-N -2 3 340.228 2.915 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1F ZINC000391998481 476819747 /nfs/dbraw/zinc/81/97/47/476819747.db2.gz XKMKKGLVLCTNKA-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000399459716 476883231 /nfs/dbraw/zinc/88/32/31/476883231.db2.gz PRKJRMFTLXMNIU-PELKAZGASA-N -2 3 337.800 2.503 20 0 EFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000399463376 476884288 /nfs/dbraw/zinc/88/42/88/476884288.db2.gz QWTUWNLLNPZGJU-UFBFGSQYSA-N -2 3 337.800 2.503 20 0 EFADHL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424062105 477278479 /nfs/dbraw/zinc/27/84/79/477278479.db2.gz GDEOJTSJTIGQKB-UHFFFAOYSA-N -2 3 341.429 2.677 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000424391373 477388212 /nfs/dbraw/zinc/38/82/12/477388212.db2.gz MUXWRZYRQYFTEB-UHFFFAOYSA-N -2 3 340.228 2.773 20 0 EFADHL CCc1cccc(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)c1 ZINC000436478110 477489061 /nfs/dbraw/zinc/48/90/61/477489061.db2.gz NRXNQXCGXXLGML-UHFFFAOYSA-N -2 3 335.381 2.542 20 0 EFADHL Cc1ccc(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)[O-])c([O-])c1 ZINC000436646556 477545011 /nfs/dbraw/zinc/54/50/11/477545011.db2.gz HGGFPOKUZIEFAD-CYBMUJFWSA-N -2 3 331.343 2.513 20 0 EFADHL O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1c([O-])cccc1[O-] ZINC000436651622 477545882 /nfs/dbraw/zinc/54/58/82/477545882.db2.gz XBPUPUPXBYMXCW-UHFFFAOYSA-N -3 3 335.772 2.877 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cc(C)ccc1C ZINC000436665767 477552406 /nfs/dbraw/zinc/55/24/06/477552406.db2.gz PAGGRPLYILKNIW-UHFFFAOYSA-N -2 3 335.381 2.596 20 0 EFADHL CCN(c1cccc(C)c1)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-] ZINC000436716910 477569461 /nfs/dbraw/zinc/56/94/61/477569461.db2.gz ATZUPTUVEMPWFH-UHFFFAOYSA-N -2 3 349.408 2.922 20 0 EFADHL Cc1cc(C)cc(N(C)S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2[O-])c1 ZINC000436725969 477572653 /nfs/dbraw/zinc/57/26/53/477572653.db2.gz TXHCPZJRYYIZEJ-UHFFFAOYSA-N -2 3 349.408 2.841 20 0 EFADHL Cc1ccc(C)c(N(C)S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2[O-])c1 ZINC000436726019 477573150 /nfs/dbraw/zinc/57/31/50/477573150.db2.gz UOLBTROHCPHGBZ-UHFFFAOYSA-N -2 3 349.408 2.841 20 0 EFADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc2ccccc2c1[O-] ZINC000436754145 477582026 /nfs/dbraw/zinc/58/20/26/477582026.db2.gz HSOUTQCDQOASEV-UHFFFAOYSA-N -2 3 331.335 2.978 20 0 EFADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc2ccccc2c1[O-] ZINC000436754145 477582028 /nfs/dbraw/zinc/58/20/28/477582028.db2.gz HSOUTQCDQOASEV-UHFFFAOYSA-N -2 3 331.335 2.978 20 0 EFADHL CCc1ccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c([O-])c1 ZINC000436821581 477600886 /nfs/dbraw/zinc/60/08/86/477600886.db2.gz POWHZKQVGJFZOK-UHFFFAOYSA-N -2 3 325.324 2.550 20 0 EFADHL CCOC(=O)c1cnc(/C=C\c2ccc([O-])c(F)c2)c(C(=O)[O-])c1 ZINC000436848860 477611184 /nfs/dbraw/zinc/61/11/84/477611184.db2.gz BWMHAPXMGFIPCQ-HYXAFXHYSA-N -2 3 331.299 2.972 20 0 EFADHL O=C(Nc1ccc([O-])c(C(F)(F)F)c1)C(=O)c1ccc([O-])cc1 ZINC000436937943 477641257 /nfs/dbraw/zinc/64/12/57/477641257.db2.gz HTPBFIQXFMRKEF-UHFFFAOYSA-N -2 3 325.242 2.938 20 0 EFADHL Cc1ccc2c(CN3CCCC[C@@H]3c3n[nH]c(=O)[n-]3)ccc([O-])c2n1 ZINC000450986746 477784331 /nfs/dbraw/zinc/78/43/31/477784331.db2.gz QVPSHMUIMABVJL-CQSZACIVSA-N -2 3 339.399 2.800 20 0 EFADHL CC[C@H](Cc1ccc([N-]S(=O)(=O)C[C@H](CC)OC)cc1)C(=O)[O-] ZINC000421150386 477983715 /nfs/dbraw/zinc/98/37/15/477983715.db2.gz IMIOZZPQSDNLLR-HIFRSBDPSA-N -2 3 343.445 2.507 20 0 EFADHL CC[C@H](CS(=O)(=O)[N-]c1ccc(C[C@@H](CC)C(=O)[O-])cc1)OC ZINC000421150388 477983995 /nfs/dbraw/zinc/98/39/95/477983995.db2.gz IMIOZZPQSDNLLR-UKRRQHHQSA-N -2 3 343.445 2.507 20 0 EFADHL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1c(C)cccc1[O-] ZINC000421153900 477986187 /nfs/dbraw/zinc/98/61/87/477986187.db2.gz MNTDXHAUYYHGNG-OAHLLOKOSA-N -2 3 335.425 2.700 20 0 EFADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@@H](Cc2ccccc2)OC)c1 ZINC000421158082 477986631 /nfs/dbraw/zinc/98/66/31/477986631.db2.gz RKLCMPXZRQNQHI-MRXNPFEDSA-N -2 3 349.452 2.954 20 0 EFADHL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000560077135 478017147 /nfs/dbraw/zinc/01/71/47/478017147.db2.gz GMDXDWYJFFSFHQ-HNNXBMFYSA-N -2 3 349.399 2.913 20 0 EFADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000535054400 478192820 /nfs/dbraw/zinc/19/28/20/478192820.db2.gz DUZJCIOYDCZJOP-UHFFFAOYSA-N -2 3 327.381 2.726 20 0 EFADHL Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)Nc1ccc([O-])c(Cl)c1 ZINC000561557299 478193915 /nfs/dbraw/zinc/19/39/15/478193915.db2.gz STJCXXDDXXVBRM-UHFFFAOYSA-N -2 3 346.774 2.592 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@]2(C)CCCc3ccccc32)cc1C(=O)[O-] ZINC000519394492 478223805 /nfs/dbraw/zinc/22/38/05/478223805.db2.gz JTQQWVLPBKBPOG-KRWDZBQOSA-N -2 3 349.408 2.816 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(Cl)c1 ZINC000535766802 478228960 /nfs/dbraw/zinc/22/89/60/478228960.db2.gz OBJYTWNXPGNCIW-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(O)c2F)c(Cl)c1 ZINC000535766802 478228963 /nfs/dbraw/zinc/22/89/63/478228963.db2.gz OBJYTWNXPGNCIW-UHFFFAOYSA-N -2 3 345.735 2.684 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3ccncc32)c1 ZINC000537196640 478292561 /nfs/dbraw/zinc/29/25/61/478292561.db2.gz DMSRYVNUZYFAEJ-UHFFFAOYSA-N -2 3 330.365 2.750 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)c1 ZINC000581724372 478430024 /nfs/dbraw/zinc/43/00/24/478430024.db2.gz ZEVVLMSTOAZQNU-NTZNESFSSA-N -2 3 327.402 2.615 20 0 EFADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C(=O)[O-])C(C)C)c2)n1 ZINC000563141429 478460324 /nfs/dbraw/zinc/46/03/24/478460324.db2.gz IKGVGRVORGFRGZ-OAHLLOKOSA-N -2 3 343.383 2.707 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)C[C@@H]2CCCC2(F)F)c1F ZINC000570922228 478479246 /nfs/dbraw/zinc/47/92/46/478479246.db2.gz YQHSMNVSBRWUOQ-QMMMGPOBSA-N -2 3 337.319 2.701 20 0 EFADHL O=C([O-])CCCC[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000571996760 478725644 /nfs/dbraw/zinc/72/56/44/478725644.db2.gz JPXPMKNATJBQBW-UHFFFAOYSA-N -2 3 325.361 2.512 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000583201810 478790164 /nfs/dbraw/zinc/79/01/64/478790164.db2.gz NUHLOSBUFAWIQF-KGLIPLIRSA-N -2 3 349.408 2.668 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCCC2)o1 ZINC000583628626 478899913 /nfs/dbraw/zinc/89/99/13/478899913.db2.gz MKXGOYRRHLPFEI-UHFFFAOYSA-N -2 3 349.408 2.812 20 0 EFADHL CC(=O)c1cccc(NC(=O)c2cc(F)c(F)c([O-])c2F)c1[O-] ZINC000583714887 478922411 /nfs/dbraw/zinc/92/24/11/478922411.db2.gz JBAQNXYXGXIKLI-UHFFFAOYSA-N -2 3 325.242 2.970 20 0 EFADHL CCc1nc([C@@H](C)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cs1 ZINC000565300909 478974743 /nfs/dbraw/zinc/97/47/43/478974743.db2.gz CJZJPHSBNVNZEK-SSDOTTSWSA-N -2 3 346.455 2.505 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@@H]2C)cc1C(=O)[O-] ZINC000584111216 479018694 /nfs/dbraw/zinc/01/86/94/479018694.db2.gz RAOQFIBGPVZLKZ-QFYYESIMSA-N -2 3 349.408 2.888 20 0 EFADHL Cc1nn(-c2ccccc2)c(=NC(=O)c2cc3ccccc3nc2[O-])[n-]1 ZINC000514692313 479048412 /nfs/dbraw/zinc/04/84/12/479048412.db2.gz WLOAHMVNTCMPPQ-UHFFFAOYSA-N -2 3 345.362 2.504 20 0 EFADHL CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000596086815 479130195 /nfs/dbraw/zinc/13/01/95/479130195.db2.gz BIJUAOYYJAGLHY-MNOVXSKESA-N -2 3 347.458 2.629 20 0 EFADHL CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000584467298 479145762 /nfs/dbraw/zinc/14/57/62/479145762.db2.gz GJIUPTRAMBFQDQ-GHMZBOCLSA-N -2 3 347.458 2.629 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H](C)C1 ZINC000573840428 479156502 /nfs/dbraw/zinc/15/65/02/479156502.db2.gz XPXLGWOGAAMNCO-ZJUUUORDSA-N -2 3 347.458 2.560 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000579073163 479656012 /nfs/dbraw/zinc/65/60/12/479656012.db2.gz AGCZPPRAGOBQCJ-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL CCO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1)C1CC1 ZINC000629288250 480200611 /nfs/dbraw/zinc/20/06/11/480200611.db2.gz FNGMUSKRGSAYBU-ZDUSSCGKSA-N -2 3 347.820 2.595 20 0 EFADHL CCO[C@H](CS(=O)(=O)[N-]c1ccc(CC)cc1C(=O)[O-])C1CC1 ZINC000629290931 480201940 /nfs/dbraw/zinc/20/19/40/480201940.db2.gz ZUDVUWYWEQVHLG-OAHLLOKOSA-N -2 3 341.429 2.504 20 0 EFADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)cc1 ZINC000629295242 480203808 /nfs/dbraw/zinc/20/38/08/480203808.db2.gz NPLAXPVUSSCCAE-FZMZJTMJSA-N -2 3 341.429 2.574 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CC(=O)[O-])c(F)c1F ZINC000629303571 480205795 /nfs/dbraw/zinc/20/57/95/480205795.db2.gz LYVJHTMVMLXFGW-GHMZBOCLSA-N -2 3 347.383 2.585 20 0 EFADHL O=c1c2c([n-]n1-c1cn[n-]c(=O)c1Cl)-c1ccccc1CCC2 ZINC000634586936 480370322 /nfs/dbraw/zinc/37/03/22/480370322.db2.gz ADPIEEUNJDTPPS-NSHDSACASA-N -2 3 328.759 2.539 20 0 EFADHL O=S(=O)([N-]c1cc([O-])c(F)cc1F)c1cnn(C2CCCC2)c1 ZINC000634793421 480530883 /nfs/dbraw/zinc/53/08/83/480530883.db2.gz JUTHUOFXENEGMH-UHFFFAOYSA-N -2 3 343.355 2.783 20 0 EFADHL Cc1ccc(CCC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C)c1 ZINC000645945561 480983991 /nfs/dbraw/zinc/98/39/91/480983991.db2.gz LHPRLBYFRDUUFU-UHFFFAOYSA-N -2 3 337.397 2.506 20 0 EFADHL CCC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)CCCC1 ZINC000645987470 481005812 /nfs/dbraw/zinc/00/58/12/481005812.db2.gz DLRJLJOSHHYUGG-UHFFFAOYSA-N -2 3 347.458 2.704 20 0 EFADHL COc1cc([N-]S(=O)(=O)CCC2CCCC2)c(F)cc1C(=O)[O-] ZINC000641694411 481012646 /nfs/dbraw/zinc/01/26/46/481012646.db2.gz BXORERIYZXTFFO-UHFFFAOYSA-N -2 3 345.392 2.855 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000646057460 481048639 /nfs/dbraw/zinc/04/86/39/481048639.db2.gz BRSXLMMMHDGBPW-AAEUAGOBSA-N -2 3 337.422 2.528 20 0 EFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC000646060423 481050254 /nfs/dbraw/zinc/05/02/54/481050254.db2.gz PMNPYXFZCIJXID-JTQLQIEISA-N -2 3 327.427 2.599 20 0 EFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC000647918909 481182381 /nfs/dbraw/zinc/18/23/81/481182381.db2.gz BPKVNLPPACKQIA-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1F ZINC000653494118 481282830 /nfs/dbraw/zinc/28/28/30/481282830.db2.gz QKUPMGQBKCGDIM-SDDRHHMPSA-N -2 3 343.420 2.548 20 0 EFADHL O=c1[n-]c([C@H]2CCCN(Cc3cc([O-])cc(C(F)(F)F)c3)C2)n[nH]1 ZINC000639648037 481395696 /nfs/dbraw/zinc/39/56/96/481395696.db2.gz WPIUWFGHORAUIQ-JTQLQIEISA-N -2 3 342.321 2.614 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000654768254 482044073 /nfs/dbraw/zinc/04/40/73/482044073.db2.gz GOABBNHDNDWOLB-VIFPVBQESA-N -2 3 331.440 2.612 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000654775054 482045604 /nfs/dbraw/zinc/04/56/04/482045604.db2.gz CEGMRRZIJYSOIG-CQSZACIVSA-N -2 3 339.438 2.778 20 0 EFADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC000663114628 482076256 /nfs/dbraw/zinc/07/62/56/482076256.db2.gz HQFOXOGIPMMWDB-ZDUSSCGKSA-N -2 3 328.162 2.594 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)oc1C(=O)[O-] ZINC000663420123 482222130 /nfs/dbraw/zinc/22/21/30/482222130.db2.gz FBWXGNHUWJPGFW-FRRDWIJNSA-N -2 3 341.429 2.923 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCc2ccccc2)oc1C(=O)[O-] ZINC000663420187 482223854 /nfs/dbraw/zinc/22/38/54/482223854.db2.gz OLULWFXPJLZMFJ-GFCCVEGCSA-N -2 3 337.397 2.586 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@H]2C)oc1C(=O)[O-] ZINC000663422629 482224824 /nfs/dbraw/zinc/22/48/24/482224824.db2.gz GLUSBPPBVCKFPU-MEBBXXQBSA-N -2 3 349.408 2.888 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCC2)oc1C(=O)[O-] ZINC000663426900 482227691 /nfs/dbraw/zinc/22/76/91/482227691.db2.gz OQTQRJHDSWYNIC-AWEZNQCLSA-N -2 3 341.429 2.923 20 0 EFADHL CC(C)C[C@H](CNCc1cccc([O-])c1Br)C(=O)[O-] ZINC000263109477 519351904 /nfs/dbraw/zinc/35/19/04/519351904.db2.gz YJBLMXIZMRZGLS-LLVKDONJSA-N -2 3 330.222 2.991 20 0 EFADHL CCOc1cc(CN2C[C@@H](C)C[C@H](C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000263074950 520703427 /nfs/dbraw/zinc/70/34/27/520703427.db2.gz QGVVCDOFXOVWHZ-JQWIXIFHSA-N -2 3 327.808 2.987 20 0 EFADHL C[C@H](CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC000263232048 524286618 /nfs/dbraw/zinc/28/66/18/524286618.db2.gz QPUXIIHBMIYRNY-CYBMUJFWSA-N -2 3 327.380 2.776 20 0 EFADHL C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000263220695 524854573 /nfs/dbraw/zinc/85/45/73/524854573.db2.gz OYTDCPZWIRNRCS-CXAGYDPISA-N -2 3 339.391 2.776 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c(F)c1 ZINC000063009414 526379690 /nfs/dbraw/zinc/37/96/90/526379690.db2.gz WUCWYXOKOCPYJU-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1 ZINC000074829413 526383111 /nfs/dbraw/zinc/38/31/11/526383111.db2.gz GTPNKQYCQAOTGY-UHFFFAOYSA-N -2 3 333.365 2.511 20 0 EFADHL CCOc1ccccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000193404235 535485869 /nfs/dbraw/zinc/48/58/69/535485869.db2.gz RDSNDXVCXDDHFZ-CSKARUKUSA-N -2 3 328.368 2.665 20 0 EFADHL CCOCc1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000342774949 535720280 /nfs/dbraw/zinc/72/02/80/535720280.db2.gz DXZWBJFBLBIKRS-UHFFFAOYSA-N -2 3 337.397 2.738 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C)C(F)F ZINC000414323377 535806847 /nfs/dbraw/zinc/80/68/47/535806847.db2.gz INHGISPBCPAUJZ-SECBINFHSA-N -2 3 341.763 2.669 20 0 EFADHL CCc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1 ZINC000354604307 535903059 /nfs/dbraw/zinc/90/30/59/535903059.db2.gz JGEQZQYXHDWQAQ-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL COc1ccc([O-])c([N-]S(=O)(=O)C[C@H](OC)C2CCCCC2)c1 ZINC000656623879 546867315 /nfs/dbraw/zinc/86/73/15/546867315.db2.gz KDTOBMMKWRFLMP-INIZCTEOSA-N -2 3 343.445 2.738 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F)C1CCCC1 ZINC000656630736 546870492 /nfs/dbraw/zinc/87/04/92/546870492.db2.gz BKMXCUNHZQLAST-AWEZNQCLSA-N -2 3 335.372 2.617 20 0 EFADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@](C)(CCF)C(=O)[O-])s1 ZINC000656726079 546902196 /nfs/dbraw/zinc/90/21/96/546902196.db2.gz YRVRUKURAUEAFG-CYBMUJFWSA-N -2 3 337.438 2.527 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](CC(=O)[O-])C3CC3)nc2)n1 ZINC000656785023 546923573 /nfs/dbraw/zinc/92/35/73/546923573.db2.gz VQDBFUKUFUVTOP-CYBMUJFWSA-N -2 3 342.399 2.719 20 0 EFADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1O ZINC000680809725 549391213 /nfs/dbraw/zinc/39/12/13/549391213.db2.gz MESKNIOQPFMDRE-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-])c(Cl)cc1F ZINC000681576468 549569321 /nfs/dbraw/zinc/56/93/21/549569321.db2.gz LCUHIMQHLGIQFU-UHFFFAOYSA-N -2 3 337.800 2.567 20 0 EFADHL CCc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c([O-])c1 ZINC000682489830 549748627 /nfs/dbraw/zinc/74/86/27/549748627.db2.gz SAFWWPOEVIGDTJ-UHFFFAOYSA-N -2 3 325.324 2.550 20 0 EFADHL CSc1nc([N-]S(=O)(=O)C=Cc2ccccc2Cl)n[n-]1 ZINC000757551433 575842236 /nfs/dbraw/zinc/84/22/36/575842236.db2.gz LDCSDMGQGOHJQZ-VOTSOKGWSA-N -2 3 330.822 2.593 20 0 EFADHL O=C([N-]c1n[n-]c(-c2ccco2)n1)c1scnc1Br ZINC000757777907 575852599 /nfs/dbraw/zinc/85/25/99/575852599.db2.gz VTIFLJUEGQBXBC-UHFFFAOYSA-N -2 3 340.162 2.536 20 0 EFADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)[C@H]1C ZINC000761237710 576134647 /nfs/dbraw/zinc/13/46/47/576134647.db2.gz JDLVAICMWBRYFF-ZDMBXUJBSA-N -2 3 347.383 2.766 20 0 EFADHL CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000761304711 576143586 /nfs/dbraw/zinc/14/35/86/576143586.db2.gz IXLAOQXOSZKUAU-NXEZZACHSA-N -2 3 347.383 2.910 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000769300210 577350481 /nfs/dbraw/zinc/35/04/81/577350481.db2.gz JXGBAMBIINYUMX-UHFFFAOYSA-N -2 3 348.409 2.895 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(CN(C)C)c1 ZINC000738287770 577374827 /nfs/dbraw/zinc/37/48/27/577374827.db2.gz UEVMCCWYGFDFQO-UHFFFAOYSA-N -2 3 348.424 2.556 20 0 EFADHL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)c1F ZINC000769888128 577391689 /nfs/dbraw/zinc/39/16/89/577391689.db2.gz BCCQZJZOLPFQAW-UHFFFAOYSA-N -2 3 345.373 2.703 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)o1 ZINC000324863690 599767543 /nfs/dbraw/zinc/76/75/43/599767543.db2.gz JHNCLMNVEQYHIS-HNNXBMFYSA-N -2 3 347.348 2.639 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)o1 ZINC000740176913 599774856 /nfs/dbraw/zinc/77/48/56/599774856.db2.gz ZRYVMMMIYYBEIH-UHFFFAOYSA-N -2 3 337.378 2.671 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCCCC1 ZINC000389195635 599981295 /nfs/dbraw/zinc/98/12/95/599981295.db2.gz XAMACORVOJIKSJ-UHFFFAOYSA-N -2 3 349.811 2.935 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c(C)c1 ZINC000738042497 600023549 /nfs/dbraw/zinc/02/35/49/600023549.db2.gz YCNJFFDKNMJJHN-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000740144415 600093510 /nfs/dbraw/zinc/09/35/10/600093510.db2.gz OJIWMNMCPJRLNM-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(N(C)C)c(C)c1 ZINC000738462701 600105420 /nfs/dbraw/zinc/10/54/20/600105420.db2.gz STHNBMPLDCPVLL-UHFFFAOYSA-N -2 3 348.424 2.868 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1N(C)C ZINC000738463497 600105625 /nfs/dbraw/zinc/10/56/25/600105625.db2.gz HYWDPXXGLPFCPC-UHFFFAOYSA-N -2 3 348.424 2.868 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)c(C)c1 ZINC000738654678 600302820 /nfs/dbraw/zinc/30/28/20/600302820.db2.gz FJTLEGRSHJKXBV-UHFFFAOYSA-N -2 3 334.397 2.872 20 0 EFADHL O=C([O-])NCc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC000739991063 600309110 /nfs/dbraw/zinc/30/91/10/600309110.db2.gz IFKHHARXWFXQKD-UHFFFAOYSA-N -2 3 337.335 2.548 20 0 EFADHL O=C([O-])c1ccccc1NC(=O)CO[N-]C(=O)CCC1CCCCC1 ZINC000739235441 600436382 /nfs/dbraw/zinc/43/63/82/600436382.db2.gz KEYGVXOWCQRNKB-UHFFFAOYSA-N -2 3 348.399 2.732 20 0 EFADHL O=C([O-])[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(F)cc1 ZINC000740289214 600449762 /nfs/dbraw/zinc/44/97/62/600449762.db2.gz DZBMZXMUQXWWEP-AWEZNQCLSA-N -2 3 330.271 2.792 20 0 EFADHL O=C([O-])[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(F)cc1 ZINC000740289214 600449764 /nfs/dbraw/zinc/44/97/64/600449764.db2.gz DZBMZXMUQXWWEP-AWEZNQCLSA-N -2 3 330.271 2.792 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2F)s1 ZINC000823387576 607460688 /nfs/dbraw/zinc/46/06/88/607460688.db2.gz PMVSQLKHPVWAGE-GLIMQPGKSA-N -2 3 343.343 2.731 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nn[n-]n3)cc2F)s1 ZINC000823387576 607460689 /nfs/dbraw/zinc/46/06/89/607460689.db2.gz PMVSQLKHPVWAGE-GLIMQPGKSA-N -2 3 343.343 2.731 20 0 EFADHL O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000833188063 600889353 /nfs/dbraw/zinc/88/93/53/600889353.db2.gz VTPXAYAXOOEUSI-IUCAKERBSA-N -2 3 342.189 2.984 20 0 EFADHL O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1ccccc1[O-] ZINC000833234353 600981215 /nfs/dbraw/zinc/98/12/15/600981215.db2.gz SILHKZBFXZHGGL-UHFFFAOYSA-N -2 3 335.306 2.788 20 0 EFADHL C[C@@H](CN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC000827436737 601187876 /nfs/dbraw/zinc/18/78/76/601187876.db2.gz HPMHICNFVOZBAD-LBPRGKRZSA-N -2 3 329.352 2.977 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(NC(=O)[O-])c1 ZINC000832795121 601197173 /nfs/dbraw/zinc/19/71/73/601197173.db2.gz UXNXPNMMZUFPTQ-UHFFFAOYSA-N -2 3 334.357 2.555 20 0 EFADHL CC(C)OCCS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-] ZINC000322279634 601202439 /nfs/dbraw/zinc/20/24/39/601202439.db2.gz QWWIPPQEAULARZ-UHFFFAOYSA-N -2 3 337.397 2.705 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000833027575 601214687 /nfs/dbraw/zinc/21/46/87/601214687.db2.gz HCRVBVPIXZYWSV-MRVPVSSYSA-N -2 3 343.788 2.979 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000833028943 601215080 /nfs/dbraw/zinc/21/50/80/601215080.db2.gz UTNSCGVKTJIFJO-QMMMGPOBSA-N -2 3 343.788 2.979 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000833028994 601216872 /nfs/dbraw/zinc/21/68/72/601216872.db2.gz VUCBDUYQFSNNFM-SSDOTTSWSA-N -2 3 345.323 2.604 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]Cc2cccc3ccccc32)cc1C(=O)[O-] ZINC000833027121 601219289 /nfs/dbraw/zinc/21/92/89/601219289.db2.gz PKZINTCCQQGNSC-UHFFFAOYSA-N -2 3 345.376 2.918 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)cc1C(=O)[O-] ZINC000833028254 601220754 /nfs/dbraw/zinc/22/07/54/601220754.db2.gz MYZAKHGNTJRAKV-UHFFFAOYSA-N -2 3 335.381 2.511 20 0 EFADHL CCCCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000386384435 601230226 /nfs/dbraw/zinc/23/02/26/601230226.db2.gz IVAGTYWWLPHVDP-VIFPVBQESA-N -2 3 335.372 2.910 20 0 EFADHL C[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320588643 601232474 /nfs/dbraw/zinc/23/24/74/601232474.db2.gz WLZHBBPTLBRIQQ-ZJUUUORDSA-N -2 3 347.383 2.768 20 0 EFADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@H](C)C1 ZINC000320409032 601235657 /nfs/dbraw/zinc/23/56/57/601235657.db2.gz BNIMNIMNKLMWIE-KKZNHRDASA-N -2 3 347.383 2.766 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1F ZINC000390894477 601330033 /nfs/dbraw/zinc/33/00/33/601330033.db2.gz CFKUYNDYBPNMOW-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C\c2ccc(F)cc2)c1O ZINC000776459941 601331325 /nfs/dbraw/zinc/33/13/25/601331325.db2.gz HRGZMANPPLEUKA-HJWRWDBZSA-N -2 3 337.328 2.642 20 0 EFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c1C ZINC000013078447 601359313 /nfs/dbraw/zinc/35/93/13/601359313.db2.gz MDOBEMSXGWDNHV-UHFFFAOYSA-N -2 3 348.424 2.868 20 0 EFADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000828672172 601480215 /nfs/dbraw/zinc/48/02/15/601480215.db2.gz OGKWGIBOBUZSPD-LBPRGKRZSA-N -2 3 340.228 2.915 20 0 EFADHL O=C([O-])c1sc2ccccc2c1Cn1cc(Cl)c(=O)[n-]c1=O ZINC000317247781 601576966 /nfs/dbraw/zinc/57/69/66/601576966.db2.gz ZYBUPAAPZJPIFA-UHFFFAOYSA-N -2 3 336.756 2.564 20 0 EFADHL O=C([O-])[C@]1(F)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000833354382 601759553 /nfs/dbraw/zinc/75/95/53/601759553.db2.gz RJUWJZKVTITARX-SFHVURJKSA-N -2 3 345.326 2.823 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c1 ZINC000832935653 601854781 /nfs/dbraw/zinc/85/47/81/601854781.db2.gz IDNGTABEPVGYSI-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)cc1F ZINC000832887394 601882875 /nfs/dbraw/zinc/88/28/75/601882875.db2.gz WFJHQVDCTFMRBE-UHFFFAOYSA-N -2 3 347.383 2.729 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)c1C ZINC000826299670 607532640 /nfs/dbraw/zinc/53/26/40/607532640.db2.gz PGUVLQAQIBNKEW-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL CCCC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCC1 ZINC000391793762 602125478 /nfs/dbraw/zinc/12/54/78/602125478.db2.gz HKWFEDUPWBRGBF-UHFFFAOYSA-N -2 3 347.383 2.912 20 0 EFADHL CCC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCC1 ZINC000323427270 602166883 /nfs/dbraw/zinc/16/68/83/602166883.db2.gz PTTJEYLGFOQCGY-UHFFFAOYSA-N -2 3 347.383 2.912 20 0 EFADHL Cc1sc2[n-]c([C@@H](C)OC(=O)[C@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000833036565 602280301 /nfs/dbraw/zinc/28/03/01/602280301.db2.gz JBNBRWKDFFZGSO-HTRCEHHLSA-N -2 3 338.385 2.729 20 0 EFADHL CC1(C)CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000389733546 604555370 /nfs/dbraw/zinc/55/53/70/604555370.db2.gz MPKXCJRQNRTSOD-MRVPVSSYSA-N -2 3 333.356 2.520 20 0 EFADHL O=C([O-])[C@H]1CCCN1C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000833772438 604702867 /nfs/dbraw/zinc/70/28/67/604702867.db2.gz MKYCAECJEOREJC-OAHLLOKOSA-N -2 3 327.336 2.874 20 0 EFADHL CC(C)CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833481468 605024596 /nfs/dbraw/zinc/02/45/96/605024596.db2.gz VCTCUJDTRYZEAV-MNOVXSKESA-N -2 3 346.474 2.725 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])cc1 ZINC000833663504 605183800 /nfs/dbraw/zinc/18/38/00/605183800.db2.gz VOUKMTAENKLYAX-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL Cc1c(C(=O)[O-])csc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000833741220 605186334 /nfs/dbraw/zinc/18/63/34/605186334.db2.gz CIIYEBSBEQRDOP-UHFFFAOYSA-N -2 3 329.337 2.656 20 0 EFADHL CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833424594 605193900 /nfs/dbraw/zinc/19/39/00/605193900.db2.gz KQWCKHQAJYJNMO-NWDGAFQWSA-N -2 3 329.418 2.861 20 0 EFADHL O=C([O-])C1CCC(C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC000833772022 605215700 /nfs/dbraw/zinc/21/57/00/605215700.db2.gz CMRONRGSAVTKBQ-UHFFFAOYSA-N -2 3 342.189 2.984 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@]2(C)CCCC[C@@H]2C(=O)[O-])cc1F ZINC000833744800 605246005 /nfs/dbraw/zinc/24/60/05/605246005.db2.gz PKNJTGZUNAYPGU-BMIGLBTASA-N -2 3 347.383 2.585 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nnn[n-]3)s2)s1 ZINC000823387752 606196147 /nfs/dbraw/zinc/19/61/47/606196147.db2.gz WRUOHVWWSQYQQZ-SXUARNTMSA-N -2 3 331.382 2.653 20 0 EFADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(-c2nnn[n-]2)cs1 ZINC000823355493 607220535 /nfs/dbraw/zinc/22/05/35/607220535.db2.gz DGHPBXYJPICDBO-UHFFFAOYSA-N -2 3 344.381 2.610 20 0 EFADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(-c2nn[n-]n2)cs1 ZINC000823355493 607220536 /nfs/dbraw/zinc/22/05/36/607220536.db2.gz DGHPBXYJPICDBO-UHFFFAOYSA-N -2 3 344.381 2.610 20 0 EFADHL C[C@@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000700690815 1269413522 /nfs/dbraw/zinc/41/35/22/1269413522.db2.gz ZKMWFRNQNIRZGN-SMDDNHRTSA-N -2 3 342.189 2.528 20 0 EFADHL O=C([O-])C1(CNC(=O)c2cc([O-])cc(Br)c2)CCCC1 ZINC000700708813 1269442271 /nfs/dbraw/zinc/44/22/71/1269442271.db2.gz HTWRTWSDRHPVLX-UHFFFAOYSA-N -2 3 342.189 2.530 20 0 EFADHL O=C([O-])CCc1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000786615966 1275453389 /nfs/dbraw/zinc/45/33/89/1275453389.db2.gz XATPROPFPXBOEY-UHFFFAOYSA-N -2 3 337.335 2.605 20 0 EFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C2CC=CC2)c1 ZINC000871916396 1287360177 /nfs/dbraw/zinc/36/01/77/1287360177.db2.gz BOSHYSRQGDZKGR-UHFFFAOYSA-N -2 3 336.196 2.689 20 0 EFADHL COc1ccc(Nc2c(F)ccc([O-])c2F)c(S(=O)(=O)[O-])c1 ZINC001175268146 1287386344 /nfs/dbraw/zinc/38/63/44/1287386344.db2.gz LKTMXQJFHGAUJJ-UHFFFAOYSA-N -2 3 331.296 2.669 20 0 EFADHL CC(C)(C)c1ccc(CC(=O)NCCCCP(=O)([O-])[O-])cc1 ZINC001144873051 1280302456 /nfs/dbraw/zinc/30/24/56/1280302456.db2.gz FTQVLBZJBQUYIV-UHFFFAOYSA-N -2 3 327.361 2.601 20 0 EFADHL CCS(=O)(CC)=NS(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000872355109 1287549002 /nfs/dbraw/zinc/54/90/02/1287549002.db2.gz PAORVGJYKLVKED-UHFFFAOYSA-N -2 3 340.854 2.519 20 0 EFADHL CS(=O)(=O)c1ccc([O-])c(Nc2c(F)cc(F)c([O-])c2F)c1 ZINC001176671080 1288065074 /nfs/dbraw/zinc/06/50/74/1288065074.db2.gz SKCLRWYTRCCPPK-UHFFFAOYSA-N -2 3 333.287 2.662 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc3occc3c2)cc1C(=O)[O-] ZINC001185311101 1290644032 /nfs/dbraw/zinc/64/40/32/1290644032.db2.gz VBUQXDKMLVJRRW-UHFFFAOYSA-N -2 3 347.348 2.940 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCC3)ccc1F ZINC001186133353 1290868807 /nfs/dbraw/zinc/86/88/07/1290868807.db2.gz KGVQVLZNKJVRJV-UHFFFAOYSA-N -2 3 335.356 2.813 20 0 EFADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)C2CCC2)c([O-])c1 ZINC001188144147 1291318890 /nfs/dbraw/zinc/31/88/90/1291318890.db2.gz HNSDEXMGHILLGS-UHFFFAOYSA-N -2 3 327.402 2.642 20 0 EFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ncc([O-])cc2Cl)c1 ZINC001189586869 1291772037 /nfs/dbraw/zinc/77/20/37/1291772037.db2.gz LTDLCODKDPVOAP-UHFFFAOYSA-N -2 3 349.195 2.903 20 0 EFADHL O=S(=O)(Cc1ccc(F)cc1F)[N-]c1cc(Cl)ncc1[O-] ZINC001189789205 1291863662 /nfs/dbraw/zinc/86/36/62/1291863662.db2.gz GWNXDEBQRGCGGW-UHFFFAOYSA-N -2 3 334.731 2.661 20 0 EFADHL Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)o1 ZINC001193963114 1293488949 /nfs/dbraw/zinc/48/89/49/1293488949.db2.gz LFBFRYRSNNCTGQ-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL O=c1nc2cn[n-]c2c(OC2c3ccccc3Oc3ccccc32)[n-]1 ZINC001233938757 1313021859 /nfs/dbraw/zinc/02/18/59/1313021859.db2.gz DVMXYZYGGQUHFN-UHFFFAOYSA-N -2 3 332.319 2.920 20 0 EFADHL CC[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccc(Br)cc1 ZINC001233940254 1313021973 /nfs/dbraw/zinc/02/19/73/1313021973.db2.gz UYELUPRWIREHMZ-LLVKDONJSA-N -2 3 349.188 2.939 20 0 EFADHL C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195187706 1293828797 /nfs/dbraw/zinc/82/87/97/1293828797.db2.gz WHAUOHMKWAWYGX-UFBFGSQYSA-N -2 3 333.356 2.520 20 0 EFADHL C[C@H]1CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001195255579 1293864247 /nfs/dbraw/zinc/86/42/47/1293864247.db2.gz ZNCDKKZNKHBOKL-KYZUINATSA-N -2 3 333.356 2.520 20 0 EFADHL CC1(C)CC[C@@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195263876 1293865950 /nfs/dbraw/zinc/86/59/50/1293865950.db2.gz MULPHCOLIHQXIK-SECBINFHSA-N -2 3 347.383 2.768 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC23CCC3)c(F)cc1F ZINC001195267806 1293867341 /nfs/dbraw/zinc/86/73/41/1293867341.db2.gz HKDXIKRCDGSIAF-ZDUSSCGKSA-N -2 3 345.367 2.664 20 0 EFADHL CCOC(=O)NC(=S)[N-]c1cc(Br)cc(F)c1[O-] ZINC001195490799 1293942051 /nfs/dbraw/zinc/94/20/51/1293942051.db2.gz LOGFRBQGJMNYLV-UHFFFAOYSA-N -2 3 337.170 2.737 20 0 EFADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC001197602592 1294634628 /nfs/dbraw/zinc/63/46/28/1294634628.db2.gz BVAWJQGRICAWRC-UHFFFAOYSA-N -2 3 341.335 2.815 20 0 EFADHL Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ncccc2[O-])c1 ZINC000138470665 1295062620 /nfs/dbraw/zinc/06/26/20/1295062620.db2.gz ZGHJOFVVLUAGRK-UHFFFAOYSA-N -2 3 341.396 2.655 20 0 EFADHL COc1cc(C)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(C)c1 ZINC001198782251 1295228236 /nfs/dbraw/zinc/22/82/36/1295228236.db2.gz FRVBWSFXASTCMI-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL Cc1cc(F)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1F ZINC001198783004 1295228605 /nfs/dbraw/zinc/22/86/05/1295228605.db2.gz UOHUBMVYYKBTBN-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C(CCn1c(=S)[n-]nc1-c1cccs1)Nc1ccncc1[O-] ZINC000109891122 1299348368 /nfs/dbraw/zinc/34/83/68/1299348368.db2.gz LDVFQUFDKULGNY-UHFFFAOYSA-N -2 3 347.425 2.799 20 0 EFADHL Cc1nc(C=Cc2c(Cl)nc3ccccn32)[n-]c(=O)c1CC(=O)[O-] ZINC000794715079 1303037899 /nfs/dbraw/zinc/03/78/99/1303037899.db2.gz UVHFHXOUIYINJD-WAYWQWQTSA-N -2 3 344.758 2.589 20 0 EFADHL Cc1nc(C=Cc2c(Cl)nc3ccccn32)[n-]c(=O)c1CC(=O)[O-] ZINC000794715074 1303038512 /nfs/dbraw/zinc/03/85/12/1303038512.db2.gz UVHFHXOUIYINJD-AATRIKPKSA-N -2 3 344.758 2.589 20 0 EFADHL COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC001241349462 1314112322 /nfs/dbraw/zinc/11/23/22/1314112322.db2.gz DUVMLDJLYFIZLH-UHFFFAOYSA-N -2 3 330.731 2.894 20 0 EFADHL COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C(=O)[O-])c(Cl)c1 ZINC001241349462 1314112325 /nfs/dbraw/zinc/11/23/25/1314112325.db2.gz DUVMLDJLYFIZLH-UHFFFAOYSA-N -2 3 330.731 2.894 20 0 EFADHL CCOc1ccc(C(=O)[O-])cc1-c1cc(-c2nnn[n-]2)ccc1OC ZINC001244421000 1314379143 /nfs/dbraw/zinc/37/91/43/1314379143.db2.gz FEEVDFGNJWUWJI-UHFFFAOYSA-N -2 3 340.339 2.639 20 0 EFADHL CCOc1ccc(C(=O)[O-])cc1-c1cc(-c2nn[n-]n2)ccc1OC ZINC001244421000 1314379145 /nfs/dbraw/zinc/37/91/45/1314379145.db2.gz FEEVDFGNJWUWJI-UHFFFAOYSA-N -2 3 340.339 2.639 20 0 EFADHL O=C(c1ccsc1)[C@H](OCCP(=O)([O-])[O-])c1ccsc1 ZINC001224605417 1311412490 /nfs/dbraw/zinc/41/24/90/1311412490.db2.gz INTPWRGHNCOHLQ-GFCCVEGCSA-N -2 3 332.339 2.928 20 0 EFADHL CCCCOC[C@H](C)OC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019469 1311465013 /nfs/dbraw/zinc/46/50/13/1311465013.db2.gz WZFQPKMMROJPDI-UONOGXRCSA-N -2 3 326.370 2.571 20 0 EFADHL O=P([O-])([O-])CCCCO[C@H]1Cc2ccc(Br)cc2C1 ZINC001225023686 1311465812 /nfs/dbraw/zinc/46/58/12/1311465812.db2.gz ZRQYAJLHRUKYTN-ZDUSSCGKSA-N -2 3 349.161 2.891 20 0 EFADHL CCOC(=O)C[C@@H](Oc1nc2ncnc-2c([S-])[n-]1)c1ccccc1 ZINC001226780798 1311722493 /nfs/dbraw/zinc/72/24/93/1311722493.db2.gz VBSFEWDZQIXODC-LLVKDONJSA-N -2 3 344.396 2.715 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1OC[C@H]1CCCO1 ZINC001228119118 1311902287 /nfs/dbraw/zinc/90/22/87/1311902287.db2.gz CVUIRNITSZWGJX-CYBMUJFWSA-N -2 3 330.336 2.592 20 0 EFADHL CC[C@H](COc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])OC ZINC001228122459 1311903099 /nfs/dbraw/zinc/90/30/99/1311903099.db2.gz MHBRAWSVIYYKPI-CYBMUJFWSA-N -2 3 332.352 2.838 20 0 EFADHL C[C@H](CON)Oc1c(-c2ccccc2)oc2cc([O-])cc([O-])c2c1=O ZINC001229775433 1312137197 /nfs/dbraw/zinc/13/71/97/1312137197.db2.gz YINYDBKOYCQJCD-SNVBAGLBSA-N -2 3 343.335 2.529 20 0 EFADHL COC(=O)c1nc2nc(-c3cc(C)c(C(=O)[O-])c(C)c3)ccc2[n-]1 ZINC001244948727 1314429195 /nfs/dbraw/zinc/42/91/95/1314429195.db2.gz OAUGALJKWRDZEL-UHFFFAOYSA-N -2 3 325.324 2.678 20 0 EFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000400443193 1314765359 /nfs/dbraw/zinc/76/53/59/1314765359.db2.gz LNGAYPJTVAWMMB-VXNVDRBHSA-N -2 3 339.866 2.878 20 0 EFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000400443190 1314765561 /nfs/dbraw/zinc/76/55/61/1314765561.db2.gz LNGAYPJTVAWMMB-APPZFPTMSA-N -2 3 339.866 2.878 20 0 EFADHL CS(=O)(=O)[N-]c1cc(Br)c(C(F)(F)F)cc1[O-] ZINC001252741721 1315498316 /nfs/dbraw/zinc/49/83/16/1315498316.db2.gz KYJBTZZLXUDJGP-UHFFFAOYSA-N -2 3 334.113 2.545 20 0 EFADHL COc1ccc(OC)c(S(=O)(=O)[N-]c2cc([O-])cc(Cl)c2)c1 ZINC001254435825 1315704118 /nfs/dbraw/zinc/70/41/18/1315704118.db2.gz IZJWWQRZQQKYLZ-UHFFFAOYSA-N -2 3 343.788 2.864 20 0 EFADHL CCc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2[O-])o1 ZINC001255144844 1315781634 /nfs/dbraw/zinc/78/16/34/1315781634.db2.gz NHRYXDOHPOJLRE-UHFFFAOYSA-N -2 3 345.380 2.805 20 0 EFADHL O=C(Nc1cccc([O-])c1F)c1nn(-c2cccc(F)c2)cc1[O-] ZINC001256955069 1316014677 /nfs/dbraw/zinc/01/46/77/1316014677.db2.gz DSSUCWISPQWQTD-UHFFFAOYSA-N -2 3 331.278 2.814 20 0 EFADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cccc([O-])c1Cl ZINC001258431628 1316150807 /nfs/dbraw/zinc/15/08/07/1316150807.db2.gz GWLCOZQLRCEMRG-UHFFFAOYSA-N -2 3 336.200 2.542 20 0 EFADHL O=S(=O)([N-]c1cc([O-])c(F)cc1F)c1cc(F)c(F)cc1F ZINC001259039998 1316200771 /nfs/dbraw/zinc/20/07/71/1316200771.db2.gz VRSBPVQUJBPMPF-UHFFFAOYSA-N -2 3 339.241 2.889 20 0 EFADHL CC(C)(C)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212230 1316221618 /nfs/dbraw/zinc/22/16/18/1316221618.db2.gz JODOVKCNJMDADF-UHFFFAOYSA-N -2 3 337.800 2.892 20 0 EFADHL COc1ccccc1S(=O)(=O)[N-]c1nc2c(cccc2[O-])s1 ZINC001259294307 1316226137 /nfs/dbraw/zinc/22/61/37/1316226137.db2.gz SPKSXARLJBOTMI-UHFFFAOYSA-N -2 3 336.394 2.811 20 0 EFADHL COc1ccccc1S(=O)(=O)[N-]c1cc([O-])c(Cl)cc1F ZINC001259300201 1316226801 /nfs/dbraw/zinc/22/68/01/1316226801.db2.gz PAVMFJRXTHDNFZ-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1cccc(OC(F)F)c1 ZINC001259444635 1316244292 /nfs/dbraw/zinc/24/42/92/1316244292.db2.gz DJSNBEZGCRYXTE-UHFFFAOYSA-N -2 3 333.287 2.934 20 0 EFADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CCc1ccccc1F ZINC001259786915 1316278585 /nfs/dbraw/zinc/27/85/85/1316278585.db2.gz VNFZHACJYYYPER-UHFFFAOYSA-N -2 3 337.372 2.718 20 0 EFADHL COc1cc([N-]S(=O)(=O)c2ccc3c(c2)OCO3)ccc1[S-] ZINC001259850585 1316286804 /nfs/dbraw/zinc/28/68/04/1316286804.db2.gz PNLDNDGZXCKKCN-UHFFFAOYSA-N -2 3 339.394 2.513 20 0 EFADHL Cc1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c(Cl)c1[O-] ZINC001260189807 1316321778 /nfs/dbraw/zinc/32/17/78/1316321778.db2.gz IFDGBUWFJCSWKS-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL COc1cccc(Cl)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001260190357 1316321971 /nfs/dbraw/zinc/32/19/71/1316321971.db2.gz GUZXJPUTRMPVQU-UHFFFAOYSA-N -2 3 341.772 2.848 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ncc([O-])cc2Cl)cc1Cl ZINC001260968570 1316379145 /nfs/dbraw/zinc/37/91/45/1316379145.db2.gz DDOUKTXEJUEZRC-UHFFFAOYSA-N -2 3 349.195 2.903 20 0 EFADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1cccc(C(F)(F)F)c1[O-] ZINC001292432032 1322075525 /nfs/dbraw/zinc/07/55/25/1322075525.db2.gz AKMKDFJCMIXHAN-UHFFFAOYSA-N -2 3 349.272 2.843 20 0 EFADHL O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1c([O-])cccc1F ZINC001457774415 1395324357 /nfs/dbraw/zinc/32/43/57/1395324357.db2.gz LCXQRVQZRSXBDC-UHFFFAOYSA-N -2 3 348.721 2.928 20 0 EFADHL O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1c([O-])cccc1F ZINC001457774415 1395324360 /nfs/dbraw/zinc/32/43/60/1395324360.db2.gz LCXQRVQZRSXBDC-UHFFFAOYSA-N -2 3 348.721 2.928 20 0 EFADHL O=C(Nc1ccccc1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1[O-] ZINC001470788971 1397122240 /nfs/dbraw/zinc/12/22/40/1397122240.db2.gz JCWAYNMGTIEMDP-UHFFFAOYSA-N -2 3 349.272 2.843 20 0 EFADHL O=C(Nc1ccccc1-c1nn[n-]n1)c1cccc(C(F)(F)F)c1[O-] ZINC001470788971 1397122245 /nfs/dbraw/zinc/12/22/45/1397122245.db2.gz JCWAYNMGTIEMDP-UHFFFAOYSA-N -2 3 349.272 2.843 20 0 EFADHL CC=C(C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825028369 1429089741 /nfs/dbraw/zinc/08/97/41/1429089741.db2.gz HFZHQJCFIZBIJP-OQFOIZHKSA-N -2 3 326.385 2.895 20 0 EFADHL CC=C(C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825028369 1429089748 /nfs/dbraw/zinc/08/97/48/1429089748.db2.gz HFZHQJCFIZBIJP-OQFOIZHKSA-N -2 3 326.385 2.895 20 0 EFADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(-c2nnn[n-]2)cc1 ZINC000103059415 1423870559 /nfs/dbraw/zinc/87/05/59/1423870559.db2.gz ATFSUTUCZHHVNZ-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL CCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000007230200 1424288858 /nfs/dbraw/zinc/28/88/58/1424288858.db2.gz QKNVHIFLTAGCCM-UHFFFAOYSA-N -2 3 343.412 2.620 20 0 EFADHL CCCc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000007230200 1424288863 /nfs/dbraw/zinc/28/88/63/1424288863.db2.gz QKNVHIFLTAGCCM-UHFFFAOYSA-N -2 3 343.412 2.620 20 0 EFADHL CC1CC(C(=O)[N-]c2nc(-c3cccc(-c4nn[n-]n4)c3)cs2)C1 ZINC000824867979 1425124535 /nfs/dbraw/zinc/12/45/35/1425124535.db2.gz RTMJCKDVIXMJTL-UHFFFAOYSA-N -2 3 340.412 2.975 20 0 EFADHL CC1CC(C(=O)[N-]c2nc(-c3cccc(-c4nnn[n-]4)c3)cs2)C1 ZINC000824867979 1425124542 /nfs/dbraw/zinc/12/45/42/1425124542.db2.gz RTMJCKDVIXMJTL-UHFFFAOYSA-N -2 3 340.412 2.975 20 0 EFADHL Cc1cc([N-]C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)sn1 ZINC000822208369 1426241057 /nfs/dbraw/zinc/24/10/57/1426241057.db2.gz OSZOFZANDUGDIJ-VIFPVBQESA-N -2 3 329.389 2.514 20 0 EFADHL Cc1cc([N-]C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)sn1 ZINC000822208369 1426241063 /nfs/dbraw/zinc/24/10/63/1426241063.db2.gz OSZOFZANDUGDIJ-VIFPVBQESA-N -2 3 329.389 2.514 20 0 EFADHL O=C(CCC1CCCCC1)[N-]OCc1ccc(-c2nn[n-]n2)cc1 ZINC000737825299 1427614309 /nfs/dbraw/zinc/61/43/09/1427614309.db2.gz XINGYFSWHAEJTH-UHFFFAOYSA-N -2 3 329.404 2.775 20 0 EFADHL CC1(C(=O)[N-]c2nc(-c3ccc(-c4nn[n-]n4)cc3)cs2)CC1 ZINC000820577776 1430188924 /nfs/dbraw/zinc/18/89/24/1430188924.db2.gz UXYFFDGQTVKOKK-UHFFFAOYSA-N -2 3 326.385 2.729 20 0 EFADHL CC1(C(=O)[N-]c2nc(-c3ccc(-c4nnn[n-]4)cc3)cs2)CC1 ZINC000820577776 1430188927 /nfs/dbraw/zinc/18/89/27/1430188927.db2.gz UXYFFDGQTVKOKK-UHFFFAOYSA-N -2 3 326.385 2.729 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2cc(-c3nn[n-]n3)ccc2F)c1 ZINC001142019977 1430190195 /nfs/dbraw/zinc/19/01/95/1430190195.db2.gz UPWZITHROBOCIE-UHFFFAOYSA-N -2 3 327.319 2.526 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2cc(-c3nnn[n-]3)ccc2F)c1 ZINC001142019977 1430190197 /nfs/dbraw/zinc/19/01/97/1430190197.db2.gz UPWZITHROBOCIE-UHFFFAOYSA-N -2 3 327.319 2.526 20 0 EFADHL CS[C@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826225202 1441498261 /nfs/dbraw/zinc/49/82/61/1441498261.db2.gz WHFPWQMHPVYZFP-MRVPVSSYSA-N -2 3 346.441 2.680 20 0 EFADHL CS[C@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826225202 1441498263 /nfs/dbraw/zinc/49/82/63/1441498263.db2.gz WHFPWQMHPVYZFP-MRVPVSSYSA-N -2 3 346.441 2.680 20 0 EFADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(Cl)ccc1[O-] ZINC000826402529 1442094643 /nfs/dbraw/zinc/09/46/43/1442094643.db2.gz WJBILBVAWQANPI-YVMONPNESA-N -2 3 341.758 2.878 20 0 EFADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)ccc1[O-] ZINC000826402529 1442094645 /nfs/dbraw/zinc/09/46/45/1442094645.db2.gz WJBILBVAWQANPI-YVMONPNESA-N -2 3 341.758 2.878 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C ZINC000825717454 1443678846 /nfs/dbraw/zinc/67/88/46/1443678846.db2.gz LRXUELXIZRJYDP-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL CCc1csc([N-]C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821499431 1449059379 /nfs/dbraw/zinc/05/93/79/1449059379.db2.gz JUBWPKLJYUIEIM-SECBINFHSA-N -2 3 343.416 2.768 20 0 EFADHL CCc1csc([N-]C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821499431 1449059387 /nfs/dbraw/zinc/05/93/87/1449059387.db2.gz JUBWPKLJYUIEIM-SECBINFHSA-N -2 3 343.416 2.768 20 0 EFADHL Cc1ncc([N-]C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000826330046 1449547857 /nfs/dbraw/zinc/54/78/57/1449547857.db2.gz CRIIKCFYSINHAB-UHFFFAOYSA-N -2 3 346.441 2.504 20 0 EFADHL Cc1nc(C)c([N-]C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000822431791 1449630476 /nfs/dbraw/zinc/63/04/76/1449630476.db2.gz JZDNVCDXVNLLHB-UHFFFAOYSA-N -2 3 343.416 2.604 20 0 EFADHL COCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000391493951 720278398 /nfs/dbraw/zinc/27/83/98/720278398.db2.gz DGXVDHFFOAPENF-UHFFFAOYSA-N -2 3 335.381 2.640 20 0 EFADHL O=C([O-])CC[C@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000909487003 723501626 /nfs/dbraw/zinc/50/16/26/723501626.db2.gz YQYCESVOYXWGPA-CQSZACIVSA-N -2 3 337.391 2.957 20 0 EFADHL CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1F ZINC000906945658 726827779 /nfs/dbraw/zinc/82/77/79/726827779.db2.gz WFZYZLGMYOQQEY-UHFFFAOYSA-N -2 3 343.298 2.533 20 0 EFADHL CCCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000032588533 727134518 /nfs/dbraw/zinc/13/45/18/727134518.db2.gz VUISQMXDVRPLJN-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL CC(C)[C@@](C)(CC(=O)[O-])NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000909688949 727367138 /nfs/dbraw/zinc/36/71/38/727367138.db2.gz SGYILLULSSUELD-QGZVFWFLSA-N -2 3 325.380 2.860 20 0 EFADHL C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000909820965 727384043 /nfs/dbraw/zinc/38/40/43/727384043.db2.gz RHAPIHXHZUMAAY-IUODEOHRSA-N -2 3 345.370 2.522 20 0 EFADHL O=C([O-])[C@@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)CC1CC1 ZINC000909883199 727391916 /nfs/dbraw/zinc/39/19/16/727391916.db2.gz QEBYTZAZPUHBKO-SNVBAGLBSA-N -2 3 331.290 2.642 20 0 EFADHL O=C([O-])[C@@H]1CN(C(=O)c2cc([O-])c3ccccc3c2)C[C@H]1C1CC1 ZINC000909901099 727394555 /nfs/dbraw/zinc/39/45/55/727394555.db2.gz LHLVYLCOAIEQAW-JKSUJKDBSA-N -2 3 325.364 2.728 20 0 EFADHL CC(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)cc1[O-] ZINC000909963675 727399726 /nfs/dbraw/zinc/39/97/26/727399726.db2.gz ZUZOCBFIDNTQTN-OWCLPIDISA-N -2 3 345.395 2.700 20 0 EFADHL O=C([O-])C1(c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)CC1 ZINC000321756481 970804760 /nfs/dbraw/zinc/80/47/60/970804760.db2.gz PKGMZDOPDJVJQO-UHFFFAOYSA-N -2 3 335.356 2.743 20 0 EFADHL O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc([O-])ccc1Cl)CC2 ZINC000322950348 970950393 /nfs/dbraw/zinc/95/03/93/970950393.db2.gz REJXNSGSELLUII-UHFFFAOYSA-N -2 3 331.755 2.942 20 0 EFADHL O=C([O-])[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)c2ccccc2O1 ZINC000323690257 971030057 /nfs/dbraw/zinc/03/00/57/971030057.db2.gz IYIXBDZNGAWUBB-AWEZNQCLSA-N -2 3 333.727 2.538 20 0 EFADHL O=C([O-])c1ccc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)nc1 ZINC001595223178 949269704 /nfs/dbraw/zinc/26/97/04/949269704.db2.gz HYPVGAJJEOHUIC-UHFFFAOYSA-N -2 3 349.306 2.563 20 0 EFADHL O=C([O-])c1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)nc1 ZINC001595223178 949269724 /nfs/dbraw/zinc/26/97/24/949269724.db2.gz HYPVGAJJEOHUIC-UHFFFAOYSA-N -2 3 349.306 2.563 20 0 EFADHL O=C([O-])c1c(F)ccc(NC(=O)NCc2ncccc2[O-])c1Cl ZINC001594777503 953603699 /nfs/dbraw/zinc/60/36/99/953603699.db2.gz CUYPOVGPTIDLPZ-UHFFFAOYSA-N -2 3 339.710 2.600 20 0 EFADHL CCc1ccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c([O-])c1 ZINC001593635242 953606182 /nfs/dbraw/zinc/60/61/82/953606182.db2.gz IVCJUDCMMBFVBU-HOTGVXAUSA-N -2 3 325.364 2.998 20 0 EFADHL CCc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001593635361 953606833 /nfs/dbraw/zinc/60/68/33/953606833.db2.gz NPDDHFXJNITCDQ-DLBZAZTESA-N -2 3 339.391 2.895 20 0 EFADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)C1 ZINC001594821560 953902581 /nfs/dbraw/zinc/90/25/81/953902581.db2.gz HPHQEMPFLSOCAJ-WDEREUQCSA-N -2 3 340.339 2.657 20 0 EFADHL C[C@@](NCc1nnc(-c2ccccc2[O-])o1)(C(=O)[O-])c1ccccc1 ZINC001589132654 956217240 /nfs/dbraw/zinc/21/72/40/956217240.db2.gz WBOQTYVQUFQKNK-SFHVURJKSA-N -2 3 339.351 2.532 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c1F ZINC000389382149 972221632 /nfs/dbraw/zinc/22/16/32/972221632.db2.gz YABUKDZTGSINHR-UHFFFAOYSA-N -2 3 347.795 2.646 20 0 EFADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013345508 957031263 /nfs/dbraw/zinc/03/12/63/957031263.db2.gz WOLNEGHFWKMYTA-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL O=C([O-])c1cc([N-]S(=O)(=O)c2cccc(F)c2)c(F)cc1F ZINC000047383441 957454414 /nfs/dbraw/zinc/45/44/14/957454414.db2.gz ASXKCYCSCZRMSV-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000085326220 957895562 /nfs/dbraw/zinc/89/55/62/957895562.db2.gz QZECWLDTUOURNU-VXNVDRBHSA-N -2 3 338.212 2.525 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C(C)(C)C ZINC000122426772 958482339 /nfs/dbraw/zinc/48/23/39/958482339.db2.gz WGWGOCHRYNRPPP-SSDOTTSWSA-N -2 3 337.800 2.890 20 0 EFADHL O=C([O-])c1ccc(F)c(NC(=O)c2c[n-]c3ccccc3c2=O)c1 ZINC000391939397 972392797 /nfs/dbraw/zinc/39/27/97/972392797.db2.gz MWSDSJSYWWZXDU-UHFFFAOYSA-N -2 3 326.283 2.618 20 0 EFADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000226463105 959879025 /nfs/dbraw/zinc/87/90/25/959879025.db2.gz JZSPSJUYWXIMTG-UHFFFAOYSA-N -2 3 333.337 2.834 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC001198780062 960586005 /nfs/dbraw/zinc/58/60/05/960586005.db2.gz ZMXDBIKDQNTZGK-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL O=C([O-])[C@@]1(C(=O)Nc2ccc(Br)cc2[O-])CC=CCC1 ZINC001574632888 962302461 /nfs/dbraw/zinc/30/24/61/962302461.db2.gz CWNDSWRRRKGVAL-AWEZNQCLSA-N -2 3 340.173 2.904 20 0 EFADHL O=C([O-])[C@@H](NCc1ccc([O-])c(F)c1F)c1ccc2c(c1)CCO2 ZINC001571227614 962600265 /nfs/dbraw/zinc/60/02/65/962600265.db2.gz BHMJDWUYJVHVOY-INIZCTEOSA-N -2 3 335.306 2.521 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c1F ZINC000314989084 963838951 /nfs/dbraw/zinc/83/89/51/963838951.db2.gz GRQZMARESMOEJZ-VIFPVBQESA-N -2 3 347.795 2.812 20 0 EFADHL CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000316850133 964062492 /nfs/dbraw/zinc/06/24/92/964062492.db2.gz HJTGNZAENZXNLS-MXWKQRLJSA-N -2 3 346.474 2.580 20 0 EFADHL CC(C)[C@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000397129169 972970469 /nfs/dbraw/zinc/97/04/69/972970469.db2.gz SZQCQOWFSYEBOO-FZMZJTMJSA-N -2 3 349.811 2.890 20 0 EFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000400439347 973278749 /nfs/dbraw/zinc/27/87/49/973278749.db2.gz FHQYUKVHZIWMPZ-PSASIEDQSA-N -2 3 337.800 2.647 20 0 EFADHL CCCCOc1ccc(C(=O)N2CC[C@@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001603649504 974012863 /nfs/dbraw/zinc/01/28/63/974012863.db2.gz ZXAZSBQEEPVIAY-IUODEOHRSA-N -2 3 335.400 2.754 20 0 EFADHL O=C([O-])c1cc(C(=O)[N-]c2ccc(F)c(Br)c2F)on1 ZINC000691804004 976382842 /nfs/dbraw/zinc/38/28/42/976382842.db2.gz PMOLGJGCTPKZNA-UHFFFAOYSA-N -2 3 347.071 2.666 20 0 EFADHL CC(C)(C)C[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700768697 976971614 /nfs/dbraw/zinc/97/16/14/976971614.db2.gz XNHMPZJIWQKMGI-LLVKDONJSA-N -2 3 344.205 2.774 20 0 EFADHL C[C@@H](/C=C\C(=O)[O-])NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001592204707 977235728 /nfs/dbraw/zinc/23/57/28/977235728.db2.gz MFVRQKAKMOYAJI-UMAGTOLTSA-N -2 3 327.336 2.944 20 0 EFADHL C[C@@](CC(=O)[O-])(NC(=O)c1cc([O-])ccc1Cl)c1ccncc1 ZINC001592302657 977652396 /nfs/dbraw/zinc/65/23/96/977652396.db2.gz DHGMATBDOYQKMD-INIZCTEOSA-N -2 3 334.759 2.561 20 0 EFADHL C[C@@](CC(=O)[O-])(NC(=O)c1cc([O-])ccc1Cl)c1cccnc1 ZINC001592304393 977664343 /nfs/dbraw/zinc/66/43/43/977664343.db2.gz RKSNFJFVGGTBJL-INIZCTEOSA-N -2 3 334.759 2.561 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]CCCCCCC(=O)[O-])c(F)c1F ZINC000863405826 979659236 /nfs/dbraw/zinc/65/92/36/979659236.db2.gz JPUGXRBOMGHPNK-UHFFFAOYSA-N -2 3 335.372 2.587 20 0 EFADHL CCC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001595379486 980918286 /nfs/dbraw/zinc/91/82/86/980918286.db2.gz HPWXCJTWKHTGHL-UHFFFAOYSA-N -2 3 335.784 2.646 20 0 EFADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC001595687744 982180379 /nfs/dbraw/zinc/18/03/79/982180379.db2.gz SYHQETVRISUQDN-SNVBAGLBSA-N -2 3 337.800 2.791 20 0 EFADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001589199349 985630080 /nfs/dbraw/zinc/63/00/80/985630080.db2.gz GCTNYGUMTQGHAU-SFHVURJKSA-N -2 3 348.399 2.504 20 0 EFADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)c1 ZINC001589199348 985630336 /nfs/dbraw/zinc/63/03/36/985630336.db2.gz GCTNYGUMTQGHAU-GOSISDBHSA-N -2 3 348.399 2.504 20 0 EFADHL CC(=O)c1ccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)cc1C ZINC001589291169 986036432 /nfs/dbraw/zinc/03/64/32/986036432.db2.gz VUVOQKHDJXHKDJ-UHFFFAOYSA-N -2 3 339.413 2.584 20 0 EFADHL CCc1cc(C(=O)[O-])ccc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001597465610 987906481 /nfs/dbraw/zinc/90/64/81/987906481.db2.gz XZFHKHJVAQQYHD-UHFFFAOYSA-N -2 3 329.308 2.634 20 0 EFADHL CCc1cccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c1[O-] ZINC001597570713 988348827 /nfs/dbraw/zinc/34/88/27/988348827.db2.gz ZPTBASHGCHEGSL-IRXDYDNUSA-N -2 3 339.391 2.895 20 0 EFADHL CN(C(=O)c1c[n-]c2c(Cl)cccc2c1=O)C(C)(C)CC(=O)[O-] ZINC001598098012 990459155 /nfs/dbraw/zinc/45/91/55/990459155.db2.gz LBFNLAOMAUXWNG-UHFFFAOYSA-N -2 3 336.775 2.507 20 0 EFADHL CC(C)(CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1F)C(=O)[O-] ZINC001590819264 990651597 /nfs/dbraw/zinc/65/15/97/990651597.db2.gz PHESLCBSOSNLQU-UHFFFAOYSA-N -2 3 343.298 2.697 20 0 EFADHL CC(C)(NC(=O)c1cc2ccccc2cc1[O-])c1cc(C(=O)[O-])on1 ZINC001590858845 990749808 /nfs/dbraw/zinc/74/98/08/990749808.db2.gz RJWGNWUOPVGKGO-UHFFFAOYSA-N -2 3 340.335 2.897 20 0 EFADHL COc1cccc2c(C(=O)O[C@@H](C(=O)[O-])c3ccsc3)n[n-]c21 ZINC001599689624 991046081 /nfs/dbraw/zinc/04/60/81/991046081.db2.gz PTNSRBJQPSRDEH-CYBMUJFWSA-N -2 3 332.337 2.616 20 0 EFADHL CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001591088249 991620475 /nfs/dbraw/zinc/62/04/75/991620475.db2.gz FWQDUCFRUNKOKJ-VXGBXAGGSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001591089094 991629726 /nfs/dbraw/zinc/62/97/26/991629726.db2.gz RGFNPMGPNIFCTN-WDEREUQCSA-N -2 3 346.474 2.725 20 0 EFADHL COc1cccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1[O-] ZINC001599642325 994376116 /nfs/dbraw/zinc/37/61/16/994376116.db2.gz FLUBDQMJGGZEMF-LLVKDONJSA-N -2 3 329.352 2.916 20 0 EFADHL CC1(C)C[C@]1(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC001593866288 996673719 /nfs/dbraw/zinc/67/37/19/996673719.db2.gz ZYHTUOQVTRZZES-KRWDZBQOSA-N -2 3 349.408 2.624 20 0 EFADHL COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c([O-])c1 ZINC001599481694 996782431 /nfs/dbraw/zinc/78/24/31/996782431.db2.gz CBHNLUBYXJJXDR-MRXNPFEDSA-N -2 3 329.352 2.573 20 0 EFADHL COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)c([O-])c1 ZINC001599481692 996782704 /nfs/dbraw/zinc/78/27/04/996782704.db2.gz CBHNLUBYXJJXDR-INIZCTEOSA-N -2 3 329.352 2.573 20 0 EFADHL COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2cc(C)cc(C)c2)c([O-])c1 ZINC001599481999 996787535 /nfs/dbraw/zinc/78/75/35/996787535.db2.gz PILCRZTVCDRRNG-MRXNPFEDSA-N -2 3 329.352 2.573 20 0 EFADHL COc1ccc(C(=O)N[C@H](C(=O)[O-])c2cc(C)cc(C)c2)c([O-])c1 ZINC001599481998 996787565 /nfs/dbraw/zinc/78/75/65/996787565.db2.gz PILCRZTVCDRRNG-INIZCTEOSA-N -2 3 329.352 2.573 20 0 EFADHL COc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C(C)=O)c([O-])c1 ZINC001599385660 996939051 /nfs/dbraw/zinc/93/90/51/996939051.db2.gz BNWXXRHLZWEXGK-UHFFFAOYSA-N -2 3 329.308 2.554 20 0 EFADHL COc1ccc([C@H](NC(=O)c2ccc(C)cc2[O-])C(=O)[O-])cc1Cl ZINC001599523691 997524309 /nfs/dbraw/zinc/52/43/09/997524309.db2.gz IWJQLHASRLABFB-HNNXBMFYSA-N -2 3 349.770 2.918 20 0 EFADHL COc1cc(-c2nc3cc(F)c(F)cc3c(=O)[n-]2)ccc1C(=O)[O-] ZINC001599347106 998027395 /nfs/dbraw/zinc/02/73/95/998027395.db2.gz SAUXXEDDEPABHG-UHFFFAOYSA-N -2 3 332.262 2.575 20 0 EFADHL COC(=O)c1cc(NC(=O)c2cc([O-])ccc2Cl)cc(C(=O)[O-])c1 ZINC001598946627 998069491 /nfs/dbraw/zinc/06/94/91/998069491.db2.gz QYCKMFRRQCICNI-UHFFFAOYSA-N -2 3 349.726 2.783 20 0 EFADHL CC(C)[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001573981795 1087921762 /nfs/dbraw/zinc/92/17/62/1087921762.db2.gz HYBOFLDHADJVFL-INIZCTEOSA-N -2 3 337.383 2.717 20 0 EFADHL CC(C)[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001573981795 1087921775 /nfs/dbraw/zinc/92/17/75/1087921775.db2.gz HYBOFLDHADJVFL-INIZCTEOSA-N -2 3 337.383 2.717 20 0 EFADHL CN(C(=O)c1cccc(Cl)c1[O-])c1ccccc1-c1nnn[n-]1 ZINC001578927026 1090479230 /nfs/dbraw/zinc/47/92/30/1090479230.db2.gz VSVFEWWUBRAMER-UHFFFAOYSA-N -2 3 329.747 2.502 20 0 EFADHL CN(C(=O)c1cccc(Cl)c1[O-])c1ccccc1-c1nn[n-]n1 ZINC001578927026 1090479233 /nfs/dbraw/zinc/47/92/33/1090479233.db2.gz VSVFEWWUBRAMER-UHFFFAOYSA-N -2 3 329.747 2.502 20 0 EFADHL C[C@H]1CC[C@@](C)(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC001580444336 1090902132 /nfs/dbraw/zinc/90/21/32/1090902132.db2.gz JVIVBUPBCFUBIR-GTNSWQLSSA-N -2 3 329.404 2.739 20 0 EFADHL C[C@H]1CC[C@@](C)(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC001580444336 1090902135 /nfs/dbraw/zinc/90/21/35/1090902135.db2.gz JVIVBUPBCFUBIR-GTNSWQLSSA-N -2 3 329.404 2.739 20 0 EFADHL CC(=Cc1ccc(F)cc1C)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588770021 1092987647 /nfs/dbraw/zinc/98/76/47/1092987647.db2.gz DEZBHWAPXIIJGZ-TWGQIWQCSA-N -2 3 326.335 2.679 20 0 EFADHL CC(=Cc1ccc(F)cc1C)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588770021 1092987662 /nfs/dbraw/zinc/98/76/62/1092987662.db2.gz DEZBHWAPXIIJGZ-TWGQIWQCSA-N -2 3 326.335 2.679 20 0 EFADHL CC(C)[C@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001588957922 1093015122 /nfs/dbraw/zinc/01/51/22/1093015122.db2.gz BACNPHKBYAAVRS-KRWDZBQOSA-N -2 3 327.380 2.822 20 0 EFADHL CC(C)c1cc(=O)n(-c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)[n-]1 ZINC001589499412 1093094234 /nfs/dbraw/zinc/09/42/34/1093094234.db2.gz PGGXKZFSLWSWNL-UHFFFAOYSA-N -2 3 338.293 2.634 20 0 EFADHL O=C([O-])c1cccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1Cl ZINC000588559920 1093187945 /nfs/dbraw/zinc/18/79/45/1093187945.db2.gz WIJITVFYUBNMLB-MDWZMJQESA-N -2 3 327.723 2.849 20 0 EFADHL C[C@@]1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCCc2ccccc21 ZINC001590068625 1093249737 /nfs/dbraw/zinc/24/97/37/1093249737.db2.gz MMZYJGLCPRTWGO-LJQANCHMSA-N -2 3 349.394 2.571 20 0 EFADHL C[C@@]1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCCc2ccccc21 ZINC001590068625 1093249747 /nfs/dbraw/zinc/24/97/47/1093249747.db2.gz MMZYJGLCPRTWGO-LJQANCHMSA-N -2 3 349.394 2.571 20 0 EFADHL CC1(C)CN(C(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c2ccccc21 ZINC001590101753 1093268218 /nfs/dbraw/zinc/26/82/18/1093268218.db2.gz FMZPHUMEQSVROH-UHFFFAOYSA-N -2 3 335.367 2.510 20 0 EFADHL CC(=O)c1ccc(C(=O)N2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@@H]2C)cc1[O-] ZINC001650505315 1093335757 /nfs/dbraw/zinc/33/57/57/1093335757.db2.gz GRHLNLQTPXPBMI-BBKSZCTCSA-N -2 3 333.384 2.555 20 0 EFADHL C[C@H]1N(C(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c2ccccc2C1(C)C ZINC001590330612 1093378852 /nfs/dbraw/zinc/37/88/52/1093378852.db2.gz FBHCNLCGLOANGQ-LLVKDONJSA-N -2 3 349.394 2.899 20 0 EFADHL CCC(CC)(CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)C(=O)[O-] ZINC001590428619 1093418069 /nfs/dbraw/zinc/41/80/69/1093418069.db2.gz NVTODMSNVVWQOK-UHFFFAOYSA-N -2 3 340.387 2.718 20 0 EFADHL CCC(CC)(CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)C(=O)[O-] ZINC001590428619 1093418076 /nfs/dbraw/zinc/41/80/76/1093418076.db2.gz NVTODMSNVVWQOK-UHFFFAOYSA-N -2 3 340.387 2.718 20 0 EFADHL CCOc1ccc(C=Cc2nc(C(=O)[O-])ccc2-c2nnn[n-]2)cc1 ZINC001590836957 1093590471 /nfs/dbraw/zinc/59/04/71/1093590471.db2.gz HWEQZGOGIXSVST-WEVVVXLNSA-N -2 3 337.339 2.529 20 0 EFADHL CCOc1ccc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[n-]n2)cc1 ZINC001590836957 1093590478 /nfs/dbraw/zinc/59/04/78/1093590478.db2.gz HWEQZGOGIXSVST-WEVVVXLNSA-N -2 3 337.339 2.529 20 0 EFADHL CN(C(=O)c1ccc([O-])c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001590994812 1093650584 /nfs/dbraw/zinc/65/05/84/1093650584.db2.gz YTXQHTFOLGJRRV-UHFFFAOYSA-N -2 3 329.747 2.502 20 0 EFADHL COc1ccc(C=Cc2nc(C(=O)[O-])c(C)s2)cc1-c1nnn[n-]1 ZINC001591583015 1093781321 /nfs/dbraw/zinc/78/13/21/1093781321.db2.gz XNAGJHITHIGWNX-GQCTYLIASA-N -2 3 343.368 2.509 20 0 EFADHL COc1ccc(C=Cc2nc(C(=O)[O-])c(C)s2)cc1-c1nn[n-]n1 ZINC001591583015 1093781329 /nfs/dbraw/zinc/78/13/29/1093781329.db2.gz XNAGJHITHIGWNX-GQCTYLIASA-N -2 3 343.368 2.509 20 0 EFADHL Cc1cc(C=Cc2nc(C(=O)[O-])ccc2-c2nnn[n-]2)ccc1F ZINC001591958932 1093933424 /nfs/dbraw/zinc/93/34/24/1093933424.db2.gz IOHPFNKLFDVIBL-UTCJRWHESA-N -2 3 325.303 2.578 20 0 EFADHL Cc1cc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[n-]n2)ccc1F ZINC001591958932 1093933428 /nfs/dbraw/zinc/93/34/28/1093933428.db2.gz IOHPFNKLFDVIBL-UTCJRWHESA-N -2 3 325.303 2.578 20 0 EFADHL Cc1cc(Cl)c2ncc(-c3nnn[n-]3)c(N[C@@H](C)CC(=O)[O-])c2c1 ZINC001591974964 1093941829 /nfs/dbraw/zinc/94/18/29/1093941829.db2.gz DNAVXFODIOEPKM-QMMMGPOBSA-N -2 3 346.778 2.652 20 0 EFADHL Cc1cc(Cl)c2ncc(-c3nn[n-]n3)c(N[C@@H](C)CC(=O)[O-])c2c1 ZINC001591974964 1093941832 /nfs/dbraw/zinc/94/18/32/1093941832.db2.gz DNAVXFODIOEPKM-QMMMGPOBSA-N -2 3 346.778 2.652 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2Cl)c1 ZINC001592235477 1094043252 /nfs/dbraw/zinc/04/32/52/1094043252.db2.gz NHZKKAOYUQPYQP-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)[C@@H](F)CC1CCCCC1 ZINC001593170928 1094231509 /nfs/dbraw/zinc/23/15/09/1094231509.db2.gz MDMSGIINQVFTPX-AWEZNQCLSA-N -2 3 333.367 2.585 20 0 EFADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)[C@@H](F)CC1CCCCC1 ZINC001593170928 1094231512 /nfs/dbraw/zinc/23/15/12/1094231512.db2.gz MDMSGIINQVFTPX-AWEZNQCLSA-N -2 3 333.367 2.585 20 0 EFADHL O=C(Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1)c1ccc(F)cc1[O-] ZINC001593228582 1094245508 /nfs/dbraw/zinc/24/55/08/1094245508.db2.gz XSHOIEDGLANQAO-UHFFFAOYSA-N -2 3 339.330 2.841 20 0 EFADHL O=C(Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1)c1ccc(F)cc1[O-] ZINC001593228582 1094245516 /nfs/dbraw/zinc/24/55/16/1094245516.db2.gz XSHOIEDGLANQAO-UHFFFAOYSA-N -2 3 339.330 2.841 20 0 EFADHL O=C(Nc1cccc(Cl)c1[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC001593247895 1094251988 /nfs/dbraw/zinc/25/19/88/1094251988.db2.gz PVJRFEUXPXKSJG-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1cccc(Cl)c1[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC001593247895 1094251991 /nfs/dbraw/zinc/25/19/91/1094251991.db2.gz PVJRFEUXPXKSJG-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C([O-])[C@@H](CNc1cccc(C(F)F)c1-c1nnn[n-]1)C1CCC1 ZINC001593275831 1094261579 /nfs/dbraw/zinc/26/15/79/1094261579.db2.gz IBNMTFPRPHUWDF-JTQLQIEISA-N -2 3 337.330 2.717 20 0 EFADHL O=C([O-])[C@@H](CNc1cccc(C(F)F)c1-c1nn[n-]n1)C1CCC1 ZINC001593275831 1094261585 /nfs/dbraw/zinc/26/15/85/1094261585.db2.gz IBNMTFPRPHUWDF-JTQLQIEISA-N -2 3 337.330 2.717 20 0 EFADHL O=C([O-])c1ccc2nc(C=Cc3cccc(-c4nnn[n-]4)c3)oc2c1 ZINC001593283399 1094265059 /nfs/dbraw/zinc/26/50/59/1094265059.db2.gz QVIUARYLGZRYTB-QPJJXVBHSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc2nc(C=Cc3cccc(-c4nn[n-]n4)c3)oc2c1 ZINC001593283399 1094265067 /nfs/dbraw/zinc/26/50/67/1094265067.db2.gz QVIUARYLGZRYTB-QPJJXVBHSA-N -2 3 333.307 2.877 20 0 EFADHL O=C(c1ccc(-c2nn[n-]n2)c([O-])c1)N1CCCCc2ccccc21 ZINC001593334752 1094286817 /nfs/dbraw/zinc/28/68/17/1094286817.db2.gz DKZHJWDHDDRUKB-UHFFFAOYSA-N -2 3 335.367 2.555 20 0 EFADHL Cc1cc([C@H](NCc2cc(C(=O)[O-])n(C)c2)C(=O)[O-])ccc1Cl ZINC001600146836 1094804205 /nfs/dbraw/zinc/80/42/05/1094804205.db2.gz KUJFJDHYYGWRPE-AWEZNQCLSA-N -2 3 336.775 2.601 20 0 EFADHL Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)n1 ZINC001600285719 1094945688 /nfs/dbraw/zinc/94/56/88/1094945688.db2.gz CPRVKVGMBIFGSA-WDEREUQCSA-N -2 3 348.428 2.586 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@H]2C)oc1C(=O)[O-] ZINC001600298169 1094953848 /nfs/dbraw/zinc/95/38/48/1094953848.db2.gz AJIVLBZCWZWIPG-GHMZBOCLSA-N -2 3 329.418 2.779 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001600360420 1095002738 /nfs/dbraw/zinc/00/27/38/1095002738.db2.gz ITOOFDJCOHKSSO-UHFFFAOYSA-N -3 3 341.772 2.853 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC001600463728 1095086510 /nfs/dbraw/zinc/08/65/10/1095086510.db2.gz JXSXZFMOLKQBEC-ZDUSSCGKSA-N -2 3 337.372 2.744 20 0 EFADHL Cc1ccc([O-])c(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)c1 ZINC001600465178 1095087910 /nfs/dbraw/zinc/08/79/10/1095087910.db2.gz QKAPMESRVFAQQV-JTQLQIEISA-N -2 3 333.315 2.944 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H](C(=O)[O-])C2CCCCC2)c(F)c1F ZINC001600478217 1095096911 /nfs/dbraw/zinc/09/69/11/1095096911.db2.gz GCZLKJUZSLJZBL-AWEZNQCLSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1ccc2oc(C[N-]S(=O)(=O)c3occc3C(=O)[O-])cc2c1 ZINC001600505462 1095119824 /nfs/dbraw/zinc/11/98/24/1095119824.db2.gz ZVDLFISWXFJMSM-UHFFFAOYSA-N -2 3 335.337 2.511 20 0 EFADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001600607702 1095207655 /nfs/dbraw/zinc/20/76/55/1095207655.db2.gz RJTXVXLJPMPHFH-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL O=C([O-])c1cc(NC(=O)[N-]O[C@H]2CCCCO2)cc(F)c1Cl ZINC001601563926 1095732500 /nfs/dbraw/zinc/73/25/00/1095732500.db2.gz VJWGUPFIHAOFCU-JTQLQIEISA-N -2 3 332.715 2.757 20 0 EFADHL O=C([O-])C1=CC[C@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001601734300 1095872942 /nfs/dbraw/zinc/87/29/42/1095872942.db2.gz AUBKKNRJVQBMLH-INIZCTEOSA-N -2 3 337.375 2.886 20 0 EFADHL O=C([O-])CCCO[N-]C(=O)CCSc1nc2ccccc2s1 ZINC001601995946 1096011524 /nfs/dbraw/zinc/01/15/24/1096011524.db2.gz WQLHYLZVWNJRHB-UHFFFAOYSA-N -2 3 340.426 2.691 20 0 EFADHL O=C([O-])CCCOc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001601997356 1096012702 /nfs/dbraw/zinc/01/27/02/1096012702.db2.gz JYECQVBCBJCNLG-UHFFFAOYSA-N -2 3 347.342 2.956 20 0 EFADHL O=C([O-])Cc1cccc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC001602140225 1096085830 /nfs/dbraw/zinc/08/58/30/1096085830.db2.gz XORVCVKHSPUDER-UHFFFAOYSA-N -2 3 328.349 2.881 20 0 EFADHL O=C([O-])c1cc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c[nH]1 ZINC001602257176 1096142547 /nfs/dbraw/zinc/14/25/47/1096142547.db2.gz SFHNIXAQIHKEGW-UHFFFAOYSA-N -2 3 328.368 2.513 20 0 EFADHL O=C([O-])c1cc(F)cc([N-]C(=O)c2ncoc2[C@H]2CCCO2)c1F ZINC001602270557 1096152765 /nfs/dbraw/zinc/15/27/65/1096152765.db2.gz FWLLMLKBZFJHQG-SNVBAGLBSA-N -2 3 338.266 2.755 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C[C@H]2CC=CCC2)c(F)cc1Cl ZINC001602295689 1096165140 /nfs/dbraw/zinc/16/51/40/1096165140.db2.gz CQXLKCORSFXSJB-VIFPVBQESA-N -2 3 347.795 2.812 20 0 EFADHL O=C([O-])c1ccc(F)c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC001602365493 1096207072 /nfs/dbraw/zinc/20/70/72/1096207072.db2.gz KGNNSOFJJYUAIF-UHFFFAOYSA-N -2 3 331.225 2.650 20 0 EFADHL O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)c1ccc(O)cc1[O-])CCC2 ZINC001602412320 1096228962 /nfs/dbraw/zinc/22/89/62/1096228962.db2.gz UVQASKFSCULRDV-ZDUSSCGKSA-N -2 3 341.363 2.646 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCc2c1cccc2Cl ZINC001602489143 1096270256 /nfs/dbraw/zinc/27/02/56/1096270256.db2.gz UCRGNGWHMVRVKJ-GFCCVEGCSA-N -2 3 341.772 2.597 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCCCC12CCCC2 ZINC001602489047 1096270947 /nfs/dbraw/zinc/27/09/47/1096270947.db2.gz QBXLYWFUWDZIOM-GFCCVEGCSA-N -2 3 327.402 2.759 20 0 EFADHL O=C([O-])c1nccc2c1cccc2S(=O)(=O)[N-]c1ccccc1F ZINC001602577350 1096306124 /nfs/dbraw/zinc/30/61/24/1096306124.db2.gz JGVJXQSEFPKACW-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL O=C([O-])c1nsc([N-]C(=O)c2cc(Cl)c(F)cc2Cl)n1 ZINC001602586637 1096308721 /nfs/dbraw/zinc/30/87/21/1096308721.db2.gz IFYBBAGUMACYKN-UHFFFAOYSA-N -2 3 336.131 2.935 20 0 EFADHL O=C([O-])c1sc(NCc2cc(=O)[n-]c(C3CCC3)n2)nc1Cl ZINC001602591928 1096310629 /nfs/dbraw/zinc/31/06/29/1096310629.db2.gz UWFHVWTUOVBNQD-UHFFFAOYSA-N -2 3 340.792 2.870 20 0 EFADHL O=C([O-])c1ccc(Cl)c(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1 ZINC001602655852 1096339834 /nfs/dbraw/zinc/33/98/34/1096339834.db2.gz ISFWSOKOTFZYRU-JYRVWZFOSA-N -2 3 327.723 2.849 20 0 EFADHL CC(=Cc1cnc(Cl)c(C)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602907361 1096397048 /nfs/dbraw/zinc/39/70/48/1096397048.db2.gz ZLRDUNZUYYAIFJ-VMPITWQZSA-N -2 3 343.778 2.588 20 0 EFADHL CC(=Cc1cnc(Cl)c(C)c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602907361 1096397051 /nfs/dbraw/zinc/39/70/51/1096397051.db2.gz ZLRDUNZUYYAIFJ-VMPITWQZSA-N -2 3 343.778 2.588 20 0 EFADHL CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001603319256 1096504139 /nfs/dbraw/zinc/50/41/39/1096504139.db2.gz JWKZOZSZJUGCGR-VXGBXAGGSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)(CS(=O)(=O)[N-]c1ccc(C(F)(F)F)c(F)c1)C(=O)[O-] ZINC001603659475 1096580962 /nfs/dbraw/zinc/58/09/62/1096580962.db2.gz AQERWSXCSCFCEV-UHFFFAOYSA-N -2 3 343.298 2.697 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@@H](C[C@H]2CCCOC2)C(=O)[O-])c([O-])c1 ZINC001603997381 1096690725 /nfs/dbraw/zinc/69/07/25/1096690725.db2.gz YNZZQOGIRRJFSN-DOMZBBRYSA-N -2 3 335.400 2.515 20 0 EFADHL C[C@@](CC(=O)[O-])(NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CC1 ZINC001604088758 1096728391 /nfs/dbraw/zinc/72/83/91/1096728391.db2.gz ZIMIJVRCGZCAJJ-KRWDZBQOSA-N -2 3 348.786 2.555 20 0 EFADHL C[C@@H](CC(=O)[O-])CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001604108394 1096741928 /nfs/dbraw/zinc/74/19/28/1096741928.db2.gz JOUNZTKUTCBYQM-SECBINFHSA-N -2 3 328.328 2.657 20 0 EFADHL C[C@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001604266081 1096789932 /nfs/dbraw/zinc/78/99/32/1096789932.db2.gz XGJAPJFMUHFOEB-QMMMGPOBSA-N -2 3 326.324 2.811 20 0 EFADHL CCN(C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1)c1ccc(F)c(C)c1 ZINC001604266553 1096790666 /nfs/dbraw/zinc/79/06/66/1096790666.db2.gz LVZWOFWUKIYNHF-UHFFFAOYSA-N -2 3 341.346 2.687 20 0 EFADHL C[C@]1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CCCc2ccccc21 ZINC001604584909 1096908397 /nfs/dbraw/zinc/90/83/97/1096908397.db2.gz PEDBPIXPSNAQRL-QGZVFWFLSA-N -2 3 349.408 2.550 20 0 EFADHL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(F)(F)F ZINC001604945105 1096985027 /nfs/dbraw/zinc/98/50/27/1096985027.db2.gz KORSWWXSWVOHTE-IMTBSYHQSA-N -2 3 345.364 2.702 20 0 EFADHL CC[C@@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)C(=O)[O-] ZINC001605125787 1097026929 /nfs/dbraw/zinc/02/69/29/1097026929.db2.gz BTKGCBQSEDLZIN-GFCCVEGCSA-N -2 3 344.396 2.536 20 0 EFADHL CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001605228146 1097060290 /nfs/dbraw/zinc/06/02/90/1097060290.db2.gz ICFQVFXWBAAFNO-NWDGAFQWSA-N -2 3 329.418 2.863 20 0 EFADHL CCCCOc1ccc(C(=O)N2CCC(CC(=O)[O-])CC2)c([O-])c1 ZINC001605286565 1097082047 /nfs/dbraw/zinc/08/20/47/1097082047.db2.gz ZXHSMFOLFGDVKM-UHFFFAOYSA-N -2 3 335.400 2.898 20 0 EFADHL Cc1c2ccccc2nc(NCCC(C)(C)C(=O)[O-])c1-c1nnn[n-]1 ZINC001605468408 1097132079 /nfs/dbraw/zinc/13/20/79/1097132079.db2.gz VQRBLSQSRFCKHI-UHFFFAOYSA-N -2 3 340.387 2.636 20 0 EFADHL Cc1c2ccccc2nc(NCCC(C)(C)C(=O)[O-])c1-c1nn[n-]n1 ZINC001605468408 1097132083 /nfs/dbraw/zinc/13/20/83/1097132083.db2.gz VQRBLSQSRFCKHI-UHFFFAOYSA-N -2 3 340.387 2.636 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2ccsc2CC(=O)[O-])c([O-])c1 ZINC001605572810 1097160962 /nfs/dbraw/zinc/16/09/62/1097160962.db2.gz VBMVIJCZPNXHRA-UHFFFAOYSA-N -2 3 349.364 2.510 20 0 EFADHL CCOc1cc(C(=O)[N-]c2cc(F)cc(Cl)c2C(=O)[O-])on1 ZINC001605658401 1097181540 /nfs/dbraw/zinc/18/15/40/1097181540.db2.gz BTWZMWWAJVLORN-UHFFFAOYSA-N -2 3 328.683 2.816 20 0 EFADHL Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC001605677671 1097191766 /nfs/dbraw/zinc/19/17/66/1097191766.db2.gz JWWTZNARBLYBSO-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC001605677671 1097191768 /nfs/dbraw/zinc/19/17/68/1097191768.db2.gz JWWTZNARBLYBSO-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL CCc1cc(C(=O)[O-])ccc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001605791871 1097226760 /nfs/dbraw/zinc/22/67/60/1097226760.db2.gz RWJCIOMWJOMNIY-UHFFFAOYSA-N -2 3 343.383 2.631 20 0 EFADHL CCc1cc(=O)[n-]c(CN[C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)n1 ZINC001605800526 1097230336 /nfs/dbraw/zinc/23/03/36/1097230336.db2.gz VTQCQUSTZBOSMN-QGZVFWFLSA-N -2 3 349.818 2.878 20 0 EFADHL CCc1cc(=O)[n-]c(CN[C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)n1 ZINC001605800525 1097230692 /nfs/dbraw/zinc/23/06/92/1097230692.db2.gz VTQCQUSTZBOSMN-KRWDZBQOSA-N -2 3 349.818 2.878 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])c1 ZINC001605821365 1097238083 /nfs/dbraw/zinc/23/80/83/1097238083.db2.gz DTTJGTSDAGIUFB-UHFFFAOYSA-N -2 3 345.351 2.922 20 0 EFADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1ccc(N)c(Cl)c1[O-] ZINC001605881077 1097264226 /nfs/dbraw/zinc/26/42/26/1097264226.db2.gz FDSGFAJBYGUWMX-UHFFFAOYSA-N -2 3 339.731 2.838 20 0 EFADHL COC(=O)c1cnc(S[C@@H](C(=O)[O-])c2c(F)cccc2Cl)[n-]1 ZINC001606533026 1097415363 /nfs/dbraw/zinc/41/53/63/1097415363.db2.gz YOPKWIVLVXIQMO-SNVBAGLBSA-N -2 3 344.751 2.907 20 0 EFADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1Cl)c1cccc(F)c1[O-] ZINC001606914394 1097472165 /nfs/dbraw/zinc/47/21/65/1097472165.db2.gz FEBUUFGYTGBRFF-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL COc1cc(C(=O)OCc2ccc(C(=O)[O-])s2)cc(OC)c1[O-] ZINC001607145179 1097542207 /nfs/dbraw/zinc/54/22/07/1097542207.db2.gz GJDQDECCKVPIHQ-UHFFFAOYSA-N -2 3 338.337 2.526 20 0 EFADHL COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@](C)(C(=O)[O-])C1CC1 ZINC001607265698 1097579012 /nfs/dbraw/zinc/57/90/12/1097579012.db2.gz ZTRNSYXKTDTDKW-AWEZNQCLSA-N -2 3 347.745 2.810 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc([C@H](C)C(=O)[O-])c2)c(C)c1 ZINC001607289927 1097584833 /nfs/dbraw/zinc/58/48/33/1097584833.db2.gz LMBNPVHZOOCMCC-LBPRGKRZSA-N -2 3 349.408 2.993 20 0 EFADHL Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC001607534092 1097654295 /nfs/dbraw/zinc/65/42/95/1097654295.db2.gz XEAMGHKWLACBFW-UHFFFAOYSA-N -2 3 346.767 2.625 20 0 EFADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3ccc(C(=O)[O-])o3)c2)n1 ZINC001607561283 1097662049 /nfs/dbraw/zinc/66/20/49/1097662049.db2.gz VCOKJHDSIBVDEU-UHFFFAOYSA-N -2 3 340.291 2.668 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001607618443 1097678497 /nfs/dbraw/zinc/67/84/97/1097678497.db2.gz WTHWSWNMWQBWNC-UHFFFAOYSA-N -2 3 329.308 2.688 20 0 EFADHL Cc1ccc2[n-]cc(C(=O)Nc3cc(C(=O)[O-])cs3)c(=O)c2c1 ZINC001607833668 1097747736 /nfs/dbraw/zinc/74/77/36/1097747736.db2.gz VIIOZFIUZMKAII-UHFFFAOYSA-N -2 3 328.349 2.849 20 0 EFADHL O=C([O-])[C@H](CC(F)F)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001608390675 1097909566 /nfs/dbraw/zinc/90/95/66/1097909566.db2.gz UNXSRJRVBHZZKE-AWEZNQCLSA-N -2 3 349.333 2.821 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2cc3c(cc2[O-])OCO3)ccc1Cl ZINC001608508363 1097935602 /nfs/dbraw/zinc/93/56/02/1097935602.db2.gz HHWCNSWHFMKKHI-UHFFFAOYSA-N -2 3 335.699 2.725 20 0 EFADHL O=C([O-])C1(CS(=O)(=O)[N-]c2ccc(Cl)cc2[O-])CCCCC1 ZINC001608574472 1097959631 /nfs/dbraw/zinc/95/96/31/1097959631.db2.gz BKWDCAAHRSKQFO-UHFFFAOYSA-N -3 3 347.820 2.822 20 0 EFADHL O=C([O-])CCCc1nnc([N-]C(=O)c2scnc2C2CC2)s1 ZINC001608720544 1098000165 /nfs/dbraw/zinc/00/01/65/1098000165.db2.gz XPDAFIXOUXWWHJ-UHFFFAOYSA-N -2 3 338.414 2.532 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCCC[C@H]23)c1F ZINC001608828762 1098035906 /nfs/dbraw/zinc/03/59/06/1098035906.db2.gz WFTRUPMOITWLCK-ATZCPNFKSA-N -2 3 345.367 2.520 20 0 EFADHL O=C([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C/C=C\Cl ZINC001608845499 1098040789 /nfs/dbraw/zinc/04/07/89/1098040789.db2.gz DHQMNXHGCPGNMX-UPHRSURJSA-N -2 3 344.603 2.722 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2=CCCCC2)c(F)cc1Cl ZINC001608861114 1098048123 /nfs/dbraw/zinc/04/81/23/1098048123.db2.gz QGKLGDYMFNJNCP-UHFFFAOYSA-N -2 3 347.795 2.956 20 0 EFADHL O=C([O-])c1cccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC001608930599 1098079413 /nfs/dbraw/zinc/07/94/13/1098079413.db2.gz MMJNGNAPLUDFSD-UHFFFAOYSA-N -2 3 340.379 2.580 20 0 EFADHL O=C([O-])c1occc1C[N-]C(=O)C(F)(F)c1cc(F)cc(F)c1 ZINC001609005862 1098106443 /nfs/dbraw/zinc/10/64/43/1098106443.db2.gz CQVMWQCYJQDFNB-UHFFFAOYSA-N -2 3 331.221 2.664 20 0 EFADHL O=C([O-])c1ccc(Cl)cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC001609044216 1098119498 /nfs/dbraw/zinc/11/94/98/1098119498.db2.gz MWWXYVIQKMEXRQ-JYRVWZFOSA-N -2 3 342.738 2.761 20 0 EFADHL CC(=Cc1cc2ccccc2o1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060532 1098126632 /nfs/dbraw/zinc/12/66/32/1098126632.db2.gz PHURMSKWUXRFOY-CLFYSBASSA-N -2 3 334.339 2.977 20 0 EFADHL CC(=Cc1cc2ccccc2o1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060532 1098126635 /nfs/dbraw/zinc/12/66/35/1098126635.db2.gz PHURMSKWUXRFOY-CLFYSBASSA-N -2 3 334.339 2.977 20 0 EFADHL CC(C)c1ncc(C=Cc2nc(C(=O)[O-])ccc2-c2nnn[n-]2)s1 ZINC001609106043 1098148026 /nfs/dbraw/zinc/14/80/26/1098148026.db2.gz IAOWJLIDRGYAJN-HWKANZROSA-N -2 3 342.384 2.710 20 0 EFADHL CC(C)c1ncc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[n-]n2)s1 ZINC001609106043 1098148030 /nfs/dbraw/zinc/14/80/30/1098148030.db2.gz IAOWJLIDRGYAJN-HWKANZROSA-N -2 3 342.384 2.710 20 0 EFADHL CCSc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001609249032 1098222123 /nfs/dbraw/zinc/22/21/23/1098222123.db2.gz MLSGALQIIOKCNL-UHFFFAOYSA-N -2 3 341.396 2.937 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=CC=Cc2ccc(F)cc2)n1 ZINC001609572021 1098383927 /nfs/dbraw/zinc/38/39/27/1098383927.db2.gz INPOGWNJBZCKGE-HSFFGMMNSA-N -2 3 337.314 2.826 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=CC=Cc2ccc(F)cc2)n1 ZINC001609572021 1098383932 /nfs/dbraw/zinc/38/39/32/1098383932.db2.gz INPOGWNJBZCKGE-HSFFGMMNSA-N -2 3 337.314 2.826 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccc3cnccc3c2)n1 ZINC001609572233 1098385044 /nfs/dbraw/zinc/38/50/44/1098385044.db2.gz MANYBFIRSBABCV-DJWKRKHSSA-N -2 3 344.334 2.679 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccc3cnccc3c2)n1 ZINC001609572233 1098385049 /nfs/dbraw/zinc/38/50/49/1098385049.db2.gz MANYBFIRSBABCV-DJWKRKHSSA-N -2 3 344.334 2.679 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cscc2Cl)n1 ZINC001609572444 1098385067 /nfs/dbraw/zinc/38/50/67/1098385067.db2.gz XZKTYHISHUBPTA-HNQUOIGGSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cscc2Cl)n1 ZINC001609572444 1098385072 /nfs/dbraw/zinc/38/50/72/1098385072.db2.gz XZKTYHISHUBPTA-HNQUOIGGSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc2nc(C=Cc3ccc(-c4nnn[n-]4)cc3)oc2c1 ZINC001609572647 1098385851 /nfs/dbraw/zinc/38/58/51/1098385851.db2.gz GTQBDTUJZRRQGN-FPYGCLRLSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc2nc(C=Cc3ccc(-c4nn[n-]n4)cc3)oc2c1 ZINC001609572647 1098385858 /nfs/dbraw/zinc/38/58/58/1098385858.db2.gz GTQBDTUJZRRQGN-FPYGCLRLSA-N -2 3 333.307 2.877 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cc1[O-] ZINC001609629007 1098409029 /nfs/dbraw/zinc/40/90/29/1098409029.db2.gz KJEQKJYRQZMOJA-PIGZYNQJSA-N -2 3 341.363 2.787 20 0 EFADHL CC(F)(F)C(=O)[N-][C@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001609755051 1098447339 /nfs/dbraw/zinc/44/73/39/1098447339.db2.gz VHCIOQCXAUEJGU-SECBINFHSA-N -2 3 341.232 2.872 20 0 EFADHL CC1(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001609821381 1098468314 /nfs/dbraw/zinc/46/83/14/1098468314.db2.gz APWVNFXFIHQKSG-UHFFFAOYSA-N -2 3 335.784 2.646 20 0 EFADHL CCCCOc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c([O-])c1 ZINC001609969949 1098510430 /nfs/dbraw/zinc/51/04/30/1098510430.db2.gz GMIIAAKLTCLILO-HNNXBMFYSA-N -2 3 347.411 2.898 20 0 EFADHL CCc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c([O-])c1 ZINC001610060154 1098534454 /nfs/dbraw/zinc/53/44/54/1098534454.db2.gz DHJKAOKXUODWBC-FQEVSTJZSA-N -2 3 339.391 2.823 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)c(C)c1 ZINC001610346671 1098631120 /nfs/dbraw/zinc/63/11/20/1098631120.db2.gz VCADXUPZXCYJNX-GFCCVEGCSA-N -2 3 349.408 2.993 20 0 EFADHL COc1cccc2c(C(=O)OCc3ccccc3C(=O)[O-])n[n-]c21 ZINC001610360413 1098639695 /nfs/dbraw/zinc/63/96/95/1098639695.db2.gz OHGMYBRZSGLVKQ-UHFFFAOYSA-N -2 3 326.308 2.627 20 0 EFADHL COc1cccc2c(C(=O)OCc3ccccc3C(=O)[O-])[n-]nc21 ZINC001610360413 1098639697 /nfs/dbraw/zinc/63/96/97/1098639697.db2.gz OHGMYBRZSGLVKQ-UHFFFAOYSA-N -2 3 326.308 2.627 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c(Cl)c1 ZINC001610510181 1098722800 /nfs/dbraw/zinc/72/28/00/1098722800.db2.gz YPOIAJQDMABCCQ-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL Cc1oc(C[N-]C(=O)C(F)(F)c2ccccc2F)cc1C(=O)[O-] ZINC001610583367 1098767481 /nfs/dbraw/zinc/76/74/81/1098767481.db2.gz FJDOLAXUEDQVCW-UHFFFAOYSA-N -2 3 327.258 2.834 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]CCc2cc3ccccc3o2)cc1C(=O)[O-] ZINC001610587052 1098770497 /nfs/dbraw/zinc/77/04/97/1098770497.db2.gz VBCZPQQIVUZDOM-UHFFFAOYSA-N -2 3 349.364 2.553 20 0 EFADHL Cc1sc([C@@H]2CCCN2C(=O)c2ccc(O)cc2[O-])nc1C(=O)[O-] ZINC001610590297 1098772050 /nfs/dbraw/zinc/77/20/50/1098772050.db2.gz ICEZRTWBJUNFJK-NSHDSACASA-N -2 3 348.380 2.538 20 0 EFADHL O=C([O-])c1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC001610669885 1098816238 /nfs/dbraw/zinc/81/62/38/1098816238.db2.gz LQPIHXOXIFNVMA-UHFFFAOYSA-N -2 3 349.726 2.539 20 0 EFADHL O=C([O-])C1(CS(=O)(=O)[N-]c2ccc3scnc3c2)CCCC1 ZINC001610728690 1098855370 /nfs/dbraw/zinc/85/53/70/1098855370.db2.gz VTEVKHNVBCBHDU-UHFFFAOYSA-N -2 3 340.426 2.683 20 0 EFADHL O=C([O-])C[C@@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccs1 ZINC001610753337 1098866789 /nfs/dbraw/zinc/86/67/89/1098866789.db2.gz UVVKNLYPYBXPHD-GFCCVEGCSA-N -2 3 342.376 2.535 20 0 EFADHL O=C([O-])CN(C(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC001610779742 1098883107 /nfs/dbraw/zinc/88/31/07/1098883107.db2.gz CJGXWFKPAUBDMG-UHFFFAOYSA-N -2 3 339.391 2.867 20 0 EFADHL O=C([O-])Cc1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC001610795245 1098892768 /nfs/dbraw/zinc/89/27/68/1098892768.db2.gz BWCLVWOIDJOYMT-UHFFFAOYSA-N -2 3 332.331 2.515 20 0 EFADHL O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC001610815011 1098906849 /nfs/dbraw/zinc/90/68/49/1098906849.db2.gz PJCKECQBPLENMN-UHFFFAOYSA-N -2 3 335.356 2.813 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2cc(F)cc3n[n-]nc32)cc2[nH]ccc21 ZINC001610813500 1098906863 /nfs/dbraw/zinc/90/68/63/1098906863.db2.gz FNYPSJMMNDXKTQ-UHFFFAOYSA-N -2 3 339.286 2.529 20 0 EFADHL O=C([O-])c1cccc(Cl)c1COC(=O)c1cc(F)cc2[n-]nnc21 ZINC001610848196 1098934136 /nfs/dbraw/zinc/93/41/36/1098934136.db2.gz WUNWGMYITWYQEZ-UHFFFAOYSA-N -2 3 349.705 2.806 20 0 EFADHL O=C([O-])c1cccc(Cl)c1COC(=O)c1cc(F)cc2nn[n-]c21 ZINC001610848196 1098934143 /nfs/dbraw/zinc/93/41/43/1098934143.db2.gz WUNWGMYITWYQEZ-UHFFFAOYSA-N -2 3 349.705 2.806 20 0 EFADHL O=C([O-])c1cccc(Cl)c1COC(=O)c1cc(F)cc2n[n-]nc21 ZINC001610848196 1098934155 /nfs/dbraw/zinc/93/41/55/1098934155.db2.gz WUNWGMYITWYQEZ-UHFFFAOYSA-N -2 3 349.705 2.806 20 0 EFADHL CC(C)(C)[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1nc(=O)o[n-]1 ZINC001643470228 1101301838 /nfs/dbraw/zinc/30/18/38/1101301838.db2.gz FWUKKAGPOCEPQC-LBPRGKRZSA-N -2 3 347.396 2.800 20 0 EFADHL CC(F)(F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000840892339 1102381816 /nfs/dbraw/zinc/38/18/16/1102381816.db2.gz YAXQGRZEWVHOCV-UHFFFAOYSA-N -2 3 345.726 2.501 20 0 EFADHL O=P([O-])([O-])CCOC1CC(c2ccc(Br)cc2)C1 ZINC001224602734 1109951026 /nfs/dbraw/zinc/95/10/26/1109951026.db2.gz SWWISWHMHNNQQO-UHFFFAOYSA-N -2 3 335.134 2.889 20 0 EFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000184935000 1119635540 /nfs/dbraw/zinc/63/55/40/1119635540.db2.gz JHXBTXJWWKAMJQ-RKDXNWHRSA-N -2 3 333.356 2.520 20 0 EFADHL Cc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c([O-])c1C ZINC000051184190 214082176 /nfs/dbraw/zinc/08/21/76/214082176.db2.gz BWKKSPJJDNDKKG-UHFFFAOYSA-N -2 3 343.408 2.579 20 0 EFADHL Cc1ccc(CS(=O)(=O)[N-]c2n[n-]c(SC(C)C)n2)cc1F ZINC000184198979 235330174 /nfs/dbraw/zinc/33/01/74/235330174.db2.gz GYXMOGAPDMKMJZ-UHFFFAOYSA-N -2 3 344.437 2.695 20 0 EFADHL C[C@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000131766807 223270326 /nfs/dbraw/zinc/27/03/26/223270326.db2.gz LWPZWMQDYORRGQ-BQBZGAKWSA-N -2 3 338.212 2.626 20 0 EFADHL C[C@@H](CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000229517647 242171583 /nfs/dbraw/zinc/17/15/83/242171583.db2.gz CQUXCAOKXPNVGL-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC2=CCCCC2)c1 ZINC000414334619 244092690 /nfs/dbraw/zinc/09/26/90/244092690.db2.gz XNOOQVMBGKARTR-UHFFFAOYSA-N -2 3 327.377 2.611 20 0 EFADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000427313410 247336010 /nfs/dbraw/zinc/33/60/10/247336010.db2.gz FCHXUAFOKHNCPL-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CCN(C)c1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cn1 ZINC000443455414 250196493 /nfs/dbraw/zinc/19/64/93/250196493.db2.gz RSTNNVRYVJFRMQ-YVMONPNESA-N -2 3 342.399 2.529 20 0 EFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000094703000 218268804 /nfs/dbraw/zinc/26/88/04/218268804.db2.gz WQDJTMPCOPODGF-VIFPVBQESA-N -2 3 337.800 2.504 20 0 EFADHL COc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC000263407660 141391735 /nfs/dbraw/zinc/39/17/35/141391735.db2.gz IDDFOFBSCNRGCS-CQSZACIVSA-N -2 3 343.379 2.607 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000321108408 141493720 /nfs/dbraw/zinc/49/37/20/141493720.db2.gz NVHJYVUHSURWPE-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CCOCc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000342749793 145184597 /nfs/dbraw/zinc/18/45/97/145184597.db2.gz AIHDTXYSCMLBKY-UHFFFAOYSA-N -2 3 337.397 2.738 20 0 EFADHL CCCOc1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000342775963 145189815 /nfs/dbraw/zinc/18/98/15/145189815.db2.gz FVHGCWMGFTVVRI-UHFFFAOYSA-N -2 3 337.397 2.990 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)c1 ZINC000342778296 145190527 /nfs/dbraw/zinc/19/05/27/145190527.db2.gz LBJNONGIMRIQMH-UHFFFAOYSA-N -2 3 343.788 2.869 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC000342786281 145192903 /nfs/dbraw/zinc/19/29/03/145192903.db2.gz VCVZZPYXXMYOAM-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2)c1 ZINC000342787559 145193107 /nfs/dbraw/zinc/19/31/07/145193107.db2.gz XHNWXCBKNHCNIF-UHFFFAOYSA-N -2 3 348.302 2.615 20 0 EFADHL Cc1nc(C=Cc2ccc(N(C)C(C)C)nc2)[n-]c(=O)c1CC(=O)[O-] ZINC000349105179 146053255 /nfs/dbraw/zinc/05/32/55/146053255.db2.gz GGRBPNHAZMVAAY-FNORWQNLSA-N -2 3 342.399 2.528 20 0 EFADHL CCCn1nc(C)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1C ZINC000349108599 146054067 /nfs/dbraw/zinc/05/40/67/146054067.db2.gz LTHZHHSNGNGPAP-SREVYHEPSA-N -2 3 330.388 2.511 20 0 EFADHL COc1c(C)cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1C ZINC000349112598 146054541 /nfs/dbraw/zinc/05/45/41/146054541.db2.gz OSNZVFGULVXGNY-WAYWQWQTSA-N -2 3 328.368 2.914 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000349115082 146055046 /nfs/dbraw/zinc/05/50/46/146055046.db2.gz WOEFYZHHUPRSIN-UHFFFAOYSA-N -2 3 335.381 2.649 20 0 EFADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])ccc2O1 ZINC000350731083 146085027 /nfs/dbraw/zinc/08/50/27/146085027.db2.gz YHQVPYMQBVZGDO-SNVBAGLBSA-N -2 3 333.365 2.509 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCCCC1 ZINC000037374439 544441354 /nfs/dbraw/zinc/44/13/54/544441354.db2.gz KJGNSTPIHGKDHD-UHFFFAOYSA-N -2 3 337.850 2.857 20 0 EFADHL O=C([O-])CC1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCC1 ZINC000094291148 544558158 /nfs/dbraw/zinc/55/81/58/544558158.db2.gz PADJATPOPMEOPI-UHFFFAOYSA-N -2 3 338.212 2.669 20 0 EFADHL COC(=O)c1ccc(C=CC(=O)[N-]N=c2cnc3ccccc3[n-]2)cc1 ZINC000163424346 544835175 /nfs/dbraw/zinc/83/51/75/544835175.db2.gz MTGYTYOFUJZITR-DHZHZOJOSA-N -2 3 348.362 2.573 20 0 EFADHL O=C(C=Cc1ccc([N+](=O)[O-])cc1)[N-]N=c1cnc2ccccc2[n-]1 ZINC000163608832 544836102 /nfs/dbraw/zinc/83/61/02/544836102.db2.gz WINPLYNLUJOACR-JXMROGBWSA-N -2 3 335.323 2.695 20 0 EFADHL C[C@@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000274955171 273135264 /nfs/dbraw/zinc/13/52/64/273135264.db2.gz UDWSRIBTZDZZES-ZETCQYMHSA-N -2 3 333.818 2.554 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000282096938 273513714 /nfs/dbraw/zinc/51/37/14/273513714.db2.gz XOKQDHSAOXNJAI-UHFFFAOYSA-N -2 3 340.228 2.773 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)ccc1[O-] ZINC000175688799 278186861 /nfs/dbraw/zinc/18/68/61/278186861.db2.gz KNIDDHXQNWYPFZ-UHFFFAOYSA-N -2 3 334.397 2.768 20 0 EFADHL CCc1ccc([O-])c([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000080941006 292808982 /nfs/dbraw/zinc/80/89/82/292808982.db2.gz IKBSYPJQXGIUJC-UHFFFAOYSA-N -2 3 339.388 2.914 20 0 EFADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000291032696 294253025 /nfs/dbraw/zinc/25/30/25/294253025.db2.gz XKNPLOVAAFMZAW-UHFFFAOYSA-N -2 3 345.364 2.690 20 0 EFADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)ccc2O1 ZINC000357694046 300543105 /nfs/dbraw/zinc/54/31/05/300543105.db2.gz IDJHOPNAGVLLBN-JTQLQIEISA-N -2 3 333.365 2.509 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c1F ZINC000313214598 311231459 /nfs/dbraw/zinc/23/14/59/311231459.db2.gz DTQTXJFSTAYCGS-VXGBXAGGSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000314773273 311233622 /nfs/dbraw/zinc/23/36/22/311233622.db2.gz SGGADRXNGHVXNP-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C1(C)CCCC1 ZINC000315336444 311234282 /nfs/dbraw/zinc/23/42/82/311234282.db2.gz NQCCUCNBTVJQBF-UHFFFAOYSA-N -2 3 347.820 2.658 20 0 EFADHL C[C@H]1CCC[C@]([N-]S(=O)(=O)c2ccc(F)cc2Cl)(C(=O)[O-])C1 ZINC000315287837 311234388 /nfs/dbraw/zinc/23/43/88/311234388.db2.gz HAACIBIRTOTHJN-LKFCYVNXSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@H]1CCC[C@]([N-]S(=O)(=O)c2cc(F)ccc2Cl)(C(=O)[O-])C1 ZINC000318314631 311236545 /nfs/dbraw/zinc/23/65/45/311236545.db2.gz VGHJAQVFYYPDOC-LKFCYVNXSA-N -2 3 349.811 2.791 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccc(F)cc2)c1F ZINC000319376853 311236930 /nfs/dbraw/zinc/23/69/30/311236930.db2.gz ZBJOKAGREVHORN-UHFFFAOYSA-N -2 3 327.308 2.605 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1 ZINC000319854445 311237124 /nfs/dbraw/zinc/23/71/24/311237124.db2.gz QNNIUQPPIWKRRI-UHFFFAOYSA-N -2 3 335.381 2.762 20 0 EFADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(C)c1 ZINC000320745865 311237952 /nfs/dbraw/zinc/23/79/52/311237952.db2.gz ZMZKFWSXLBIPPQ-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000325811094 311243715 /nfs/dbraw/zinc/24/37/15/311243715.db2.gz YXEUXDAXJRUCCN-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL Cc1cc(C(=O)N=c2[n-]nc(Cc3ccccc3F)s2)ccc1[O-] ZINC000499999435 315416578 /nfs/dbraw/zinc/41/65/78/315416578.db2.gz CQWCRKYMFDLLRS-UHFFFAOYSA-N -2 3 343.383 2.956 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000515350763 315610775 /nfs/dbraw/zinc/61/07/75/315610775.db2.gz ZZVHTCGUCZZRNW-DZGCQCFKSA-N -2 3 349.408 2.901 20 0 EFADHL CC[C@@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1nccs1 ZINC000521869866 316048459 /nfs/dbraw/zinc/04/84/59/316048459.db2.gz UXWYOZPVAROUEM-GFCCVEGCSA-N -2 3 346.455 2.507 20 0 EFADHL CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000530154547 317063779 /nfs/dbraw/zinc/06/37/79/317063779.db2.gz VXOAAEZQODUXMD-CQSZACIVSA-N -2 3 337.397 2.668 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000530206571 317079782 /nfs/dbraw/zinc/07/97/82/317079782.db2.gz LYNOUZGQEQMUPP-KRWDZBQOSA-N -2 3 327.340 2.521 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC000534026471 317530061 /nfs/dbraw/zinc/53/00/61/317530061.db2.gz MDFAHAHVZCZODB-UHFFFAOYSA-N -2 3 341.360 2.556 20 0 EFADHL Cc1cc(C(=O)N=c2[n-]nc(Cc3ccc(F)cc3)s2)ccc1[O-] ZINC000541855849 317792811 /nfs/dbraw/zinc/79/28/11/317792811.db2.gz LAMLURRVFYMUSJ-UHFFFAOYSA-N -2 3 343.383 2.956 20 0 EFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c1 ZINC000547576490 318019616 /nfs/dbraw/zinc/01/96/16/318019616.db2.gz LSYIZCZFWVPFBD-SNVBAGLBSA-N -2 3 349.836 2.660 20 0 EFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547578611 318019867 /nfs/dbraw/zinc/01/98/67/318019867.db2.gz VYZSAEFUDKSDKD-QMMMGPOBSA-N -2 3 325.839 2.713 20 0 EFADHL C[C@@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)CC(=O)[O-] ZINC000547613565 318021494 /nfs/dbraw/zinc/02/14/94/318021494.db2.gz FLLCFPQYCMCFDI-MRVPVSSYSA-N -2 3 347.845 2.944 20 0 EFADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000547613196 318021610 /nfs/dbraw/zinc/02/16/10/318021610.db2.gz ZPOQCVWJKOAXMT-NOZJJQNGSA-N -2 3 335.372 2.523 20 0 EFADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000547940276 318054269 /nfs/dbraw/zinc/05/42/69/318054269.db2.gz VJVVFUROWVWULB-ZANVPECISA-N -2 3 335.372 2.523 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C ZINC000548200658 318084315 /nfs/dbraw/zinc/08/43/15/318084315.db2.gz MKUCJZANAGZIIO-LBPRGKRZSA-N -2 3 343.376 2.658 20 0 EFADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000548237094 318086131 /nfs/dbraw/zinc/08/61/31/318086131.db2.gz CWARWZQFEHIXSX-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000548260894 318087057 /nfs/dbraw/zinc/08/70/57/318087057.db2.gz VWHUVHWPJCHCBE-ZYHUDNBSSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])cc1F ZINC000548262368 318087153 /nfs/dbraw/zinc/08/71/53/318087153.db2.gz HBAJRIFPULEAGE-MWLCHTKSSA-N -2 3 349.399 2.831 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)c1 ZINC000548540626 318118814 /nfs/dbraw/zinc/11/88/14/318118814.db2.gz AMPNVLFUAXHGPZ-BLLLJJGKSA-N -2 3 343.420 2.694 20 0 EFADHL O=C([O-])[C@@H](CCCc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000548545738 318118836 /nfs/dbraw/zinc/11/88/36/318118836.db2.gz RDTKBDRBHBGRNG-CYBMUJFWSA-N -2 3 339.438 2.503 20 0 EFADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)C(=O)[O-] ZINC000548592473 318121280 /nfs/dbraw/zinc/12/12/80/318121280.db2.gz HEXIGSQUNIJJKM-GXFFZTMASA-N -2 3 331.409 2.692 20 0 EFADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000548593432 318121873 /nfs/dbraw/zinc/12/18/73/318121873.db2.gz UIHYACOEBSRRJC-DTWKUNHWSA-N -2 3 339.866 2.959 20 0 EFADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2cc(F)ccc2Cl)(C(=O)[O-])C1 ZINC000551911906 318224942 /nfs/dbraw/zinc/22/49/42/318224942.db2.gz UENUOTOQIBILJI-AWEZNQCLSA-N -2 3 349.811 2.791 20 0 EFADHL O=C([O-])c1coc(C[N-]S(=O)(=O)c2csc3ccccc32)c1 ZINC000551998757 318235031 /nfs/dbraw/zinc/23/50/31/318235031.db2.gz VNFDJMWQKFRBFK-UHFFFAOYSA-N -2 3 337.378 2.671 20 0 EFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000555695112 318366049 /nfs/dbraw/zinc/36/60/49/318366049.db2.gz XERZFALMVCEDJS-LBPRGKRZSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1nc(C=Cc2cnc(-c3ccccc3)nc2)[n-]c(=O)c1CC(=O)[O-] ZINC000556777618 318408316 /nfs/dbraw/zinc/40/83/16/318408316.db2.gz PLHGSMQEMLUHIW-FPLPWBNLSA-N -2 3 348.362 2.745 20 0 EFADHL O=C([N-]c1n[nH]c(-c2ccccc2F)n1)c1c(F)ccc([O-])c1F ZINC000561960993 318617481 /nfs/dbraw/zinc/61/74/81/318617481.db2.gz BBJFKXDSRNZBMQ-UHFFFAOYSA-N -2 3 334.257 2.847 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000564711929 318884175 /nfs/dbraw/zinc/88/41/75/318884175.db2.gz SCCRPMYOGQSEHK-CYBMUJFWSA-N -2 3 339.438 2.941 20 0 EFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)CC(=O)[O-])c1Cl ZINC000565398232 318965666 /nfs/dbraw/zinc/96/56/66/318965666.db2.gz LHKGBGUSMKVXSR-UHFFFAOYSA-N -2 3 340.228 2.833 20 0 EFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000565702003 318994055 /nfs/dbraw/zinc/99/40/55/318994055.db2.gz LXYWXUSITZFVSW-CYBMUJFWSA-N -2 3 339.388 2.614 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000566179731 319044604 /nfs/dbraw/zinc/04/46/04/319044604.db2.gz NNGXBEMZELJIJC-LPEHRKFASA-N -2 3 347.458 2.558 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1C[C@H](C(=O)[O-])C1 ZINC000567228398 319151337 /nfs/dbraw/zinc/15/13/37/319151337.db2.gz SJEIHJHGMFVCPC-CZMCAQCFSA-N -2 3 343.788 2.536 20 0 EFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000567804574 319212569 /nfs/dbraw/zinc/21/25/69/319212569.db2.gz NWVMZIHRZIXMKK-LBPRGKRZSA-N -2 3 337.397 2.758 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCC[C@@H](C)C(=O)[O-] ZINC000567990141 319234445 /nfs/dbraw/zinc/23/44/45/319234445.db2.gz TVDMSAGVAMBOHA-SECBINFHSA-N -2 3 343.376 2.660 20 0 EFADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000569241482 319362666 /nfs/dbraw/zinc/36/26/66/319362666.db2.gz VQVKEGGLOGGGGX-WDEREUQCSA-N -2 3 341.367 2.767 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(C(C)C)cc2)cc1C(=O)[O-] ZINC000569336908 319371714 /nfs/dbraw/zinc/37/17/14/319371714.db2.gz SKFGJMRBOMWYBL-UHFFFAOYSA-N -2 3 337.397 2.888 20 0 EFADHL CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000570512026 319484153 /nfs/dbraw/zinc/48/41/53/319484153.db2.gz FIPLUDZEVUZRTN-NXEZZACHSA-N -2 3 347.458 2.702 20 0 EFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000576561219 320026869 /nfs/dbraw/zinc/02/68/69/320026869.db2.gz KAGCNUHQLVPKCH-LBPRGKRZSA-N -2 3 339.388 2.901 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C)C1CC1 ZINC000576874928 320056657 /nfs/dbraw/zinc/05/66/57/320056657.db2.gz FPWBZZYWRPCURD-AWEZNQCLSA-N -2 3 341.429 2.675 20 0 EFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1csc2ccccc21)C(F)F ZINC000577678980 320132707 /nfs/dbraw/zinc/13/27/07/320132707.db2.gz PNGYTEVFYPODOF-QMMMGPOBSA-N -2 3 349.380 2.536 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCCCC1(C)C ZINC000578067517 320170220 /nfs/dbraw/zinc/17/02/20/320170220.db2.gz SFVHKZAXAXHDJC-LLVKDONJSA-N -2 3 347.458 2.702 20 0 EFADHL CC(C)[C@@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1 ZINC000388851036 323770201 /nfs/dbraw/zinc/77/02/01/323770201.db2.gz VLXRCWKWJWDTNF-LLVKDONJSA-N -2 3 340.426 2.517 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C(C)(C)CC(C)(C)C ZINC000579105655 323885338 /nfs/dbraw/zinc/88/53/38/323885338.db2.gz FMLVJIJMIXIBIL-UHFFFAOYSA-N -2 3 349.474 2.948 20 0 EFADHL Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C)c1 ZINC000579953373 324065931 /nfs/dbraw/zinc/06/59/31/324065931.db2.gz XOPWEZYIKOGQJE-LBPRGKRZSA-N -2 3 337.397 2.504 20 0 EFADHL C[C@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCc2ccccc21 ZINC000583319883 324787370 /nfs/dbraw/zinc/78/73/70/324787370.db2.gz NPULISBNCSHJHJ-QGZVFWFLSA-N -2 3 349.408 2.550 20 0 EFADHL CCOC(=O)c1cc(NC(=O)c2cc3ccccc3cc2[O-])n[n-]1 ZINC000538648839 468365713 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UZKFUIZIVDQSGC-UHFFFAOYSA-N -2 3 343.379 2.908 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C)c2)c(C(=O)[O-])c1 ZINC000341800985 475312717 /nfs/dbraw/zinc/31/27/17/475312717.db2.gz VHQTVGLYJXVFHV-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL COc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345754488 475422242 /nfs/dbraw/zinc/42/22/42/475422242.db2.gz VTQUAOZCHGPOBQ-CQSZACIVSA-N -2 3 335.743 2.610 20 0 EFADHL Cc1ccc(-c2cc(C(=O)Nc3cccc(CC(=O)[O-])c3)n[n-]2)o1 ZINC000345819048 475479057 /nfs/dbraw/zinc/47/90/57/475479057.db2.gz AFIYPSOKSSLMRS-UHFFFAOYSA-N -2 3 325.324 2.858 20 0 EFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000296850851 475505217 /nfs/dbraw/zinc/50/52/17/475505217.db2.gz CPGGUBAYLXZBAU-QMMMGPOBSA-N -2 3 340.228 2.915 20 0 EFADHL Cc1ccc(-c2nc([N-]C(=O)c3nc4cccnc4s3)n[n-]2)o1 ZINC000354912017 475514037 /nfs/dbraw/zinc/51/40/37/475514037.db2.gz RNWLCQXWTFGWPY-UHFFFAOYSA-N -2 3 326.341 2.630 20 0 EFADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000297191219 475649165 /nfs/dbraw/zinc/64/91/65/475649165.db2.gz LWADTHLGVKYOOR-ZWNOBZJWSA-N -2 3 347.383 2.667 20 0 EFADHL Cc1ccc([O-])c(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)n1 ZINC000343013099 475699424 /nfs/dbraw/zinc/69/94/24/475699424.db2.gz RGQJLLCNKBCFII-UHFFFAOYSA-N -2 3 327.315 2.637 20 0 EFADHL O=C([N-]c1nnc(C(F)(F)F)s1)c1c(F)ccc([O-])c1F ZINC000343129205 475792540 /nfs/dbraw/zinc/79/25/40/475792540.db2.gz CTVHGMMKVFBRHA-UHFFFAOYSA-N -2 3 325.218 2.793 20 0 EFADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000361983092 475913672 /nfs/dbraw/zinc/91/36/72/475913672.db2.gz HIVWZLAONKAMEJ-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)ccc1F ZINC000361989668 475919472 /nfs/dbraw/zinc/91/94/72/475919472.db2.gz YTHCSMPAFKNVIM-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2C[C@H]2C2CCCCC2)c1 ZINC000355470458 475966689 /nfs/dbraw/zinc/96/66/89/475966689.db2.gz JARISNHLGGKJTI-RYUDHWBXSA-N -2 3 329.443 2.693 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)C2)c1 ZINC000355506292 475992737 /nfs/dbraw/zinc/99/27/37/475992737.db2.gz DFZMDIGGQUIWMI-GXSJLCMTSA-N -2 3 329.393 2.689 20 0 EFADHL Cc1cc2c(cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C)OCO2 ZINC000358875620 476005134 /nfs/dbraw/zinc/00/51/34/476005134.db2.gz KMVSCZCNRVQEFX-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)OCO3)c(C(=O)[O-])c1 ZINC000358885256 476011720 /nfs/dbraw/zinc/01/17/20/476011720.db2.gz ICQXWOWYFCRRLG-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1C)OCO2 ZINC000358906422 476029509 /nfs/dbraw/zinc/02/95/09/476029509.db2.gz WRNZUINXTZTOKI-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-] ZINC000362230603 476095420 /nfs/dbraw/zinc/09/54/20/476095420.db2.gz XOHMXAAJNRHICV-GFCCVEGCSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c1F ZINC000362229806 476095934 /nfs/dbraw/zinc/09/59/34/476095934.db2.gz SPZLAVXITRSNBE-LLVKDONJSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000362241033 476104103 /nfs/dbraw/zinc/10/41/03/476104103.db2.gz ZHQITJZKVYAQBF-LBPRGKRZSA-N -2 3 331.409 2.692 20 0 EFADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCO2 ZINC000336876009 476161658 /nfs/dbraw/zinc/16/16/58/476161658.db2.gz OYJKLVGKZDTEJW-UHFFFAOYSA-N -2 3 347.392 2.683 20 0 EFADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1F ZINC000359069662 476161765 /nfs/dbraw/zinc/16/17/65/476161765.db2.gz IKLKAJACCQMDNH-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000357030718 476172028 /nfs/dbraw/zinc/17/20/28/476172028.db2.gz PTZCAPHAZNYBAP-UHFFFAOYSA-N -2 3 335.381 2.513 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)cs1 ZINC000357152444 476265876 /nfs/dbraw/zinc/26/58/76/476265876.db2.gz VETSESWRVPUVJZ-UHFFFAOYSA-N -2 3 347.364 2.517 20 0 EFADHL CCCc1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c(C(=O)[O-])c1 ZINC000353985403 476348184 /nfs/dbraw/zinc/34/81/84/476348184.db2.gz ZXVFJFUIXKOIGJ-CYBMUJFWSA-N -2 3 341.429 2.648 20 0 EFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC000357426344 476377021 /nfs/dbraw/zinc/37/70/21/476377021.db2.gz RGFYKRJJIXXGDQ-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c1 ZINC000357546904 476444382 /nfs/dbraw/zinc/44/43/82/476444382.db2.gz QESJBOSQXPCKAE-UHFFFAOYSA-N -2 3 333.365 2.511 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)ccc1C(=O)[O-] ZINC000357699442 476545226 /nfs/dbraw/zinc/54/52/26/476545226.db2.gz IQWXRLYIXWXDHP-LLVKDONJSA-N -2 3 347.392 2.817 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000357876229 476666065 /nfs/dbraw/zinc/66/60/65/476666065.db2.gz XIEWBUCPRAFEMZ-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@H]1CC2CCC1CC2 ZINC000381489617 476737886 /nfs/dbraw/zinc/73/78/86/476737886.db2.gz HBFNJYRAYLVLKQ-HHISKICNSA-N -2 3 343.470 2.939 20 0 EFADHL CSCC1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1 ZINC000385298267 476759109 /nfs/dbraw/zinc/75/91/09/476759109.db2.gz JPDWRZCBFLLRSJ-UHFFFAOYSA-N -2 3 349.499 2.646 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)C1CCC1 ZINC000387826141 476774568 /nfs/dbraw/zinc/77/45/68/476774568.db2.gz XQFJLLGMYBSTSD-MRVPVSSYSA-N -2 3 347.820 2.514 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c1 ZINC000387940509 476775402 /nfs/dbraw/zinc/77/54/02/476775402.db2.gz ADXXKEVEUSSEOS-VXGBXAGGSA-N -2 3 331.409 2.692 20 0 EFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000399463373 476883654 /nfs/dbraw/zinc/88/36/54/476883654.db2.gz QWTUWNLLNPZGJU-PRHODGIISA-N -2 3 337.800 2.503 20 0 EFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000399463370 476883922 /nfs/dbraw/zinc/88/39/22/476883922.db2.gz QWTUWNLLNPZGJU-PELKAZGASA-N -2 3 337.800 2.503 20 0 EFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000401516670 476899368 /nfs/dbraw/zinc/89/93/68/476899368.db2.gz LLNCEIZLRPJSDY-SSDOTTSWSA-N -2 3 325.839 2.569 20 0 EFADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)no1 ZINC000430975387 476956285 /nfs/dbraw/zinc/95/62/85/476956285.db2.gz MCVXSTILWOXVEL-UHFFFAOYSA-N -2 3 338.385 2.612 20 0 EFADHL Cc1ncc(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])c(=O)[n-]1 ZINC000436828087 477604500 /nfs/dbraw/zinc/60/45/00/477604500.db2.gz PIVRYSAWBJAJMQ-UHFFFAOYSA-N -2 3 349.390 2.717 20 0 EFADHL Cc1cn([C@@H](C)c2ccccc2)[nH]c1=NC(=O)c1ccc([O-])cc1[O-] ZINC000436883709 477623624 /nfs/dbraw/zinc/62/36/24/477623624.db2.gz BPBBWUCQLBTVBW-ZDUSSCGKSA-N -2 3 337.379 2.886 20 0 EFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000436893597 477627783 /nfs/dbraw/zinc/62/77/83/477627783.db2.gz OECORKMWDRDUKG-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1ccc2c(c1[O-])CCCC2 ZINC000436975050 477653811 /nfs/dbraw/zinc/65/38/11/477653811.db2.gz GALRXSBBUWJCFA-UHFFFAOYSA-N -2 3 349.394 2.627 20 0 EFADHL CCOc1cccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c1 ZINC000558580912 477889703 /nfs/dbraw/zinc/88/97/03/477889703.db2.gz WXFAPZNTJNXOGB-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL CC[C@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])OC ZINC000421147138 477982902 /nfs/dbraw/zinc/98/29/02/477982902.db2.gz FGDUTBZSZINXHD-SECBINFHSA-N -2 3 327.324 2.578 20 0 EFADHL C[C@@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCc2ccccc21 ZINC000518971990 478201465 /nfs/dbraw/zinc/20/14/65/478201465.db2.gz FKYHNEDGPMHZJB-KRWDZBQOSA-N -2 3 349.408 2.550 20 0 EFADHL O=C([O-])c1c(Cl)cccc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000561962912 478209959 /nfs/dbraw/zinc/20/99/59/478209959.db2.gz BGCGZFFXDKZQCB-UHFFFAOYSA-N -2 3 331.699 2.732 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1C(=O)[O-] ZINC000536612703 478262701 /nfs/dbraw/zinc/26/27/01/478262701.db2.gz FBGARXMKCXLHSB-UHFFFAOYSA-N -3 3 339.344 2.593 20 0 EFADHL O=C(Nc1nnc(-c2ccco2)[n-]1)c1cccc(Br)c1[O-] ZINC000520736340 478338627 /nfs/dbraw/zinc/33/86/27/478338627.db2.gz MTPOISVDJPQZPM-UHFFFAOYSA-N -2 3 349.144 2.785 20 0 EFADHL O=C(Nc1nc(-c2ccco2)n[n-]1)c1cccc(Br)c1[O-] ZINC000520736340 478338631 /nfs/dbraw/zinc/33/86/31/478338631.db2.gz MTPOISVDJPQZPM-UHFFFAOYSA-N -2 3 349.144 2.785 20 0 EFADHL O=C(Nc1n[n-]c(-c2ccco2)n1)c1cccc(Br)c1[O-] ZINC000520736340 478338638 /nfs/dbraw/zinc/33/86/38/478338638.db2.gz MTPOISVDJPQZPM-UHFFFAOYSA-N -2 3 349.144 2.785 20 0 EFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000562966598 478396129 /nfs/dbraw/zinc/39/61/29/478396129.db2.gz GYTFAIIUHSGTEY-UHFFFAOYSA-N -2 3 345.829 2.698 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1 ZINC000581724370 478430329 /nfs/dbraw/zinc/43/03/29/478430329.db2.gz ZEVVLMSTOAZQNU-GMXVVIOVSA-N -2 3 327.402 2.615 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C2CCC(C(C)C)CC2)cc1C(=O)[O-] ZINC000563069567 478438259 /nfs/dbraw/zinc/43/82/59/478438259.db2.gz RZOYUJSSGBCVSS-UHFFFAOYSA-N -2 3 329.418 2.779 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ncsc2C(C)C)c1 ZINC000581846096 478450276 /nfs/dbraw/zinc/45/02/76/478450276.db2.gz DEPIEZNRKQGUHW-UHFFFAOYSA-N -2 3 328.415 2.782 20 0 EFADHL O=C([O-])CC[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccco1 ZINC000581882535 478457705 /nfs/dbraw/zinc/45/77/05/478457705.db2.gz ZUMJXAQCZJWEJM-CYBMUJFWSA-N -2 3 329.418 2.762 20 0 EFADHL CCc1cc(=O)[n-]c(CN(CC(=O)[O-])[C@@H](CC)c2ccccc2)n1 ZINC000582558125 478630020 /nfs/dbraw/zinc/63/00/20/478630020.db2.gz LOKZMZAVBNYWGA-HNNXBMFYSA-N -2 3 329.400 2.783 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(C)cc1 ZINC000572033959 478736635 /nfs/dbraw/zinc/73/66/35/478736635.db2.gz NROKETGOZGHCDT-NSHDSACASA-N -2 3 340.426 2.579 20 0 EFADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1OC ZINC000583438785 478853195 /nfs/dbraw/zinc/85/31/95/478853195.db2.gz FXYBYIHLMQAOQR-UHFFFAOYSA-N -2 3 349.836 2.660 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000556703150 479178411 /nfs/dbraw/zinc/17/84/11/479178411.db2.gz NVXZCOXJIVFWNE-FZMZJTMJSA-N -2 3 339.438 2.797 20 0 EFADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-] ZINC000573949374 479181794 /nfs/dbraw/zinc/18/17/94/479181794.db2.gz YDTTVMLHEJSMQI-NSHDSACASA-N -2 3 348.490 2.655 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC000584588464 479189900 /nfs/dbraw/zinc/18/99/00/479189900.db2.gz JIJHHNJDJCGUDK-FRRDWIJNSA-N -2 3 341.429 2.923 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC000584588467 479190489 /nfs/dbraw/zinc/19/04/89/479190489.db2.gz JIJHHNJDJCGUDK-YNEHKIRRSA-N -2 3 341.429 2.923 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000584704684 479209708 /nfs/dbraw/zinc/20/97/08/479209708.db2.gz WBMDQUHSQQADQV-GXTWGEPZSA-N -2 3 343.420 2.836 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)[C@H](C)C(=O)[O-] ZINC000574775164 479347599 /nfs/dbraw/zinc/34/75/99/479347599.db2.gz UBAZCPOIYRDCJS-VHSXEESVSA-N -2 3 341.816 2.881 20 0 EFADHL COc1ccc([O-])c(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c1 ZINC000590411091 479642301 /nfs/dbraw/zinc/64/23/01/479642301.db2.gz VOKPWRYFQASWDS-UHFFFAOYSA-N -2 3 329.352 2.518 20 0 EFADHL COc1ccc([O-])c(C(=O)N2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000621583841 479708950 /nfs/dbraw/zinc/70/89/50/479708950.db2.gz WPVHGJASZRGDHU-XJKSGUPXSA-N -2 3 347.411 2.896 20 0 EFADHL CC(C)(C)c1nc(=NC(=O)Cc2ccc([O-])c(Cl)c2)s[n-]1 ZINC000630912565 479775495 /nfs/dbraw/zinc/77/54/95/479775495.db2.gz SLUZXYYGTINHGK-UHFFFAOYSA-N -2 3 325.821 2.798 20 0 EFADHL CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC000629337221 480222390 /nfs/dbraw/zinc/22/23/90/480222390.db2.gz SUJISIRJOPZNLC-UHFFFAOYSA-N -2 3 341.401 2.796 20 0 EFADHL CCC(C)(C)CC[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000634654754 480402931 /nfs/dbraw/zinc/40/29/31/480402931.db2.gz SQIWDVWGHOCENR-UHFFFAOYSA-N -2 3 335.447 2.560 20 0 EFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000644571799 480445413 /nfs/dbraw/zinc/44/54/13/480445413.db2.gz CZVAPFLKNDEALV-UFBFGSQYSA-N -2 3 337.800 2.503 20 0 EFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000644571797 480445957 /nfs/dbraw/zinc/44/59/57/480445957.db2.gz CZVAPFLKNDEALV-PRHODGIISA-N -2 3 337.800 2.503 20 0 EFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000650231151 480949894 /nfs/dbraw/zinc/94/98/94/480949894.db2.gz FUCSCHGXIZICTN-SECBINFHSA-N -2 3 337.800 2.504 20 0 EFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1cccs1 ZINC000650238554 480954426 /nfs/dbraw/zinc/95/44/26/480954426.db2.gz HSCBJOGERININJ-SNVBAGLBSA-N -2 3 347.364 2.521 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000645945001 480984080 /nfs/dbraw/zinc/98/40/80/480984080.db2.gz AMWVJHXIGJSXSY-LLVKDONJSA-N -2 3 340.426 2.661 20 0 EFADHL COc1ccc([O-])c([N-]S(=O)(=O)[C@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000641686092 481007891 /nfs/dbraw/zinc/00/78/91/481007891.db2.gz QSRORRURPKKYHO-CJNGLKHVSA-N -2 3 337.372 2.838 20 0 EFADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000646030582 481030098 /nfs/dbraw/zinc/03/00/98/481030098.db2.gz VTEPTQQLMGVTRC-UHFFFAOYSA-N -2 3 325.839 2.713 20 0 EFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000650425772 481088894 /nfs/dbraw/zinc/08/88/94/481088894.db2.gz QQQAIKITQFFCIZ-SSDOTTSWSA-N -2 3 338.212 2.525 20 0 EFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000650425428 481089800 /nfs/dbraw/zinc/08/98/00/481089800.db2.gz FXFLPJKYAHHROF-SSDOTTSWSA-N -2 3 338.212 2.525 20 0 EFADHL C[C@@H]1CC[C@H](C(=O)[O-])N1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000650500962 481137606 /nfs/dbraw/zinc/13/76/06/481137606.db2.gz HDISJLMWUKXGNP-MWLCHTKSSA-N -2 3 327.340 2.519 20 0 EFADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc(-c2cccc(F)c2)no1 ZINC000642583151 481222244 /nfs/dbraw/zinc/22/22/44/481222244.db2.gz JJYGXCHLIJYURA-UHFFFAOYSA-N -2 3 341.224 2.870 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1 ZINC000653494084 481282522 /nfs/dbraw/zinc/28/25/22/481282522.db2.gz PMYIBRDVGZMSON-SDDRHHMPSA-N -2 3 343.420 2.548 20 0 EFADHL O=C(Nc1cc(Br)ccc1[O-])c1ccc2[nH][n-]c(=O)c2c1 ZINC000646897239 481539464 /nfs/dbraw/zinc/53/94/64/481539464.db2.gz FEWKEIAMWFMEHL-UHFFFAOYSA-N -2 3 348.156 2.989 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C)C(C)C ZINC000647125536 481648870 /nfs/dbraw/zinc/64/88/70/481648870.db2.gz ZVSBIZHLHXNKPB-AWEZNQCLSA-N -2 3 343.445 2.921 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(CCCC(=O)[O-])cc1)C(C)C ZINC000647129071 481653203 /nfs/dbraw/zinc/65/32/03/481653203.db2.gz AIHHAJGHRHBOKO-HNNXBMFYSA-N -2 3 343.445 2.507 20 0 EFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000654772789 482045725 /nfs/dbraw/zinc/04/57/25/482045725.db2.gz JYKNQZZPOZEJLZ-LLVKDONJSA-N -2 3 339.388 2.758 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC000663146243 482085340 /nfs/dbraw/zinc/08/53/40/482085340.db2.gz CCGCPNXMFNULTI-QGZVFWFLSA-N -2 3 325.364 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCc3ccccc32)oc1C(=O)[O-] ZINC000663418638 482221892 /nfs/dbraw/zinc/22/18/92/482221892.db2.gz KGJUDEWZXSHQBT-ZDUSSCGKSA-N -2 3 349.408 2.685 20 0 EFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000663419923 482222260 /nfs/dbraw/zinc/22/22/60/482222260.db2.gz NJGYIXMYBSRPJP-LBPRGKRZSA-N -2 3 337.397 2.758 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCc2ccccc2)oc1C(=O)[O-] ZINC000663420191 482223927 /nfs/dbraw/zinc/22/39/27/482223927.db2.gz OLULWFXPJLZMFJ-LBPRGKRZSA-N -2 3 337.397 2.586 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(C)c2C)oc1C(=O)[O-] ZINC000663423187 482224503 /nfs/dbraw/zinc/22/45/03/482224503.db2.gz RHWOCPRIRBXHOU-LBPRGKRZSA-N -2 3 337.397 2.943 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C1CCCCC1 ZINC000663422753 482224785 /nfs/dbraw/zinc/22/47/85/482224785.db2.gz LFZLZBXZGLIELD-LBPRGKRZSA-N -2 3 329.418 2.923 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@H]2C)oc1C(=O)[O-] ZINC000663422627 482224886 /nfs/dbraw/zinc/22/48/86/482224886.db2.gz GLUSBPPBVCKFPU-BMIGLBTASA-N -2 3 349.408 2.888 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@]2(C)CCCc3ccccc32)oc1C(=O)[O-] ZINC000663423483 482226017 /nfs/dbraw/zinc/22/60/17/482226017.db2.gz WXVMRMSXIDQKLJ-KRWDZBQOSA-N -2 3 349.408 2.816 20 0 EFADHL Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000663424720 482226415 /nfs/dbraw/zinc/22/64/15/482226415.db2.gz RRMPOQHEWBKGCN-VIFPVBQESA-N -2 3 343.426 2.566 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3c(C)cccc32)oc1C(=O)[O-] ZINC000663431036 482232386 /nfs/dbraw/zinc/23/23/86/482232386.db2.gz ADIGQZMWYKSJPJ-CQSZACIVSA-N -2 3 349.408 2.951 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@]2(c3ccccc3)CC2(C)C)oc1C(=O)[O-] ZINC000663435769 482233752 /nfs/dbraw/zinc/23/37/52/482233752.db2.gz RCJUURKDJRKCQF-QGZVFWFLSA-N -2 3 349.408 2.890 20 0 EFADHL COC(=O)c1cccc2nc(NC(=O)c3ccc([O-])c(Cl)c3)[n-]c21 ZINC000162485771 534284036 /nfs/dbraw/zinc/28/40/36/534284036.db2.gz FATAABYSUMZJQT-UHFFFAOYSA-N -2 3 345.742 2.961 20 0 EFADHL COC(=O)c1cccc2[n-]c(NC(=O)c3ccc([O-])c(Cl)c3)nc21 ZINC000162485771 534284038 /nfs/dbraw/zinc/28/40/38/534284038.db2.gz FATAABYSUMZJQT-UHFFFAOYSA-N -2 3 345.742 2.961 20 0 EFADHL CCc1cc2c([n-]c(COc3ccccc3C(=O)[O-])nc2=O)s1 ZINC000194399296 523847476 /nfs/dbraw/zinc/84/74/76/523847476.db2.gz RXBQPPBYMQQXOK-UHFFFAOYSA-N -2 3 330.365 2.824 20 0 EFADHL Cc1ccc(-n2[n-]c(C(=O)Nc3ccc([O-])cc3F)cc2=O)cc1 ZINC000183241714 525892160 /nfs/dbraw/zinc/89/21/60/525892160.db2.gz RVDXCHFZCDDGGQ-UHFFFAOYSA-N -2 3 327.315 2.571 20 0 EFADHL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c([O-])c1 ZINC000262960774 526137996 /nfs/dbraw/zinc/13/79/96/526137996.db2.gz RRZJSTVZFDNDSZ-HOTGVXAUSA-N -2 3 325.364 2.641 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cs1 ZINC000070156445 526355849 /nfs/dbraw/zinc/35/58/49/526355849.db2.gz RROJEUXZWLDQEC-UHFFFAOYSA-N -2 3 337.300 2.664 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1Cl ZINC000231656923 526382767 /nfs/dbraw/zinc/38/27/67/526382767.db2.gz IQMBJRAAXBBDKB-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCc3cc(F)ccc32)c1 ZINC000237964677 526406833 /nfs/dbraw/zinc/40/68/33/526406833.db2.gz JZYYPRMMGLFKBZ-GFCCVEGCSA-N -2 3 341.385 2.551 20 0 EFADHL CCc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)ccc1[O-] ZINC000341349984 536099430 /nfs/dbraw/zinc/09/94/30/536099430.db2.gz SNPJRCAHKXXRDY-UHFFFAOYSA-N -2 3 343.408 2.937 20 0 EFADHL CCc1cc(OC)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349115377 536155656 /nfs/dbraw/zinc/15/56/56/536155656.db2.gz XQUXLFBIWCYTMO-SOFGYWHQSA-N -2 3 328.368 2.859 20 0 EFADHL CCc1cc(OC)ccc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349115388 536155841 /nfs/dbraw/zinc/15/58/41/536155841.db2.gz XQUXLFBIWCYTMO-VURMDHGXSA-N -2 3 328.368 2.859 20 0 EFADHL CO[C@H](C)c1nc(=NC(=O)c2cc([O-])c3ccccc3c2)s[n-]1 ZINC000356245388 546091154 /nfs/dbraw/zinc/09/11/54/546091154.db2.gz MAIWBCOWYMHBDW-SECBINFHSA-N -2 3 329.381 2.779 20 0 EFADHL COc1ccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2[O-])c([O-])c1 ZINC000443563323 546246901 /nfs/dbraw/zinc/24/69/01/546246901.db2.gz WUSYTMUADKUCJL-UHFFFAOYSA-N -2 3 343.314 2.684 20 0 EFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(C(F)(F)F)cn1 ZINC000536610906 546326973 /nfs/dbraw/zinc/32/69/73/546326973.db2.gz UMMGBPWYYLYHNY-UHFFFAOYSA-N -2 3 336.266 2.746 20 0 EFADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CCF)C(=O)[O-])c1 ZINC000656165703 546704854 /nfs/dbraw/zinc/70/48/54/546704854.db2.gz YNCHKYHBUDVYTN-NSHDSACASA-N -2 3 337.800 2.555 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC000656614141 546864318 /nfs/dbraw/zinc/86/43/18/546864318.db2.gz VRXQZTNPICQJFN-HNNXBMFYSA-N -2 3 341.429 2.722 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc(Oc3cnccn3)cc2)[n-]c1=O ZINC000670369762 547473557 /nfs/dbraw/zinc/47/35/57/547473557.db2.gz AHZMMGJELAMKHR-UTCJRWHESA-N -2 3 336.307 2.633 20 0 EFADHL CCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000670370024 547474114 /nfs/dbraw/zinc/47/41/14/547474114.db2.gz RNWYDBMKIKCESP-VURMDHGXSA-N -2 3 330.340 2.848 20 0 EFADHL CCCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OC ZINC000670369967 547474143 /nfs/dbraw/zinc/47/41/43/547474143.db2.gz NUEHQBSPPASLJE-ALCCZGGFSA-N -2 3 330.340 2.848 20 0 EFADHL CCc1cccc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])c1[O-] ZINC000678370737 548909542 /nfs/dbraw/zinc/90/95/42/548909542.db2.gz CFLVLMYCHOFOKG-UHFFFAOYSA-N -2 3 349.408 2.706 20 0 EFADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000678959862 549025421 /nfs/dbraw/zinc/02/54/21/549025421.db2.gz KYDXRLLIBWWSGZ-UHFFFAOYSA-N -2 3 349.272 2.843 20 0 EFADHL O=C(Nc1nc(-c2ccccn2)n[n-]1)c1ccc(C(F)(F)F)cc1[O-] ZINC000678959862 549025424 /nfs/dbraw/zinc/02/54/24/549025424.db2.gz KYDXRLLIBWWSGZ-UHFFFAOYSA-N -2 3 349.272 2.843 20 0 EFADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc([O-])c(F)c2)CC1 ZINC000681056957 549452571 /nfs/dbraw/zinc/45/25/71/549452571.db2.gz XJSAGOIXNBTOER-UHFFFAOYSA-N -2 3 343.354 2.972 20 0 EFADHL CC[C@@](C)(NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(=O)[O-] ZINC000683920523 549964512 /nfs/dbraw/zinc/96/45/12/549964512.db2.gz DLVDMIPSOGGLKJ-QGZVFWFLSA-N -2 3 344.371 2.532 20 0 EFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)[C@H]1C ZINC000761237708 576134855 /nfs/dbraw/zinc/13/48/55/576134855.db2.gz JDLVAICMWBRYFF-VYUIOLGVSA-N -2 3 347.383 2.766 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000761264454 576137701 /nfs/dbraw/zinc/13/77/01/576137701.db2.gz JKPFMWIQNXNTCQ-MWLCHTKSSA-N -2 3 329.393 2.689 20 0 EFADHL CN(CC(=O)[O-])Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000737988354 577225867 /nfs/dbraw/zinc/22/58/67/577225867.db2.gz VQFPPJVWTAPQIW-UHFFFAOYSA-N -2 3 329.381 2.580 20 0 EFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1c(Cl)nc2sccn21 ZINC000768046886 577251243 /nfs/dbraw/zinc/25/12/43/577251243.db2.gz LJPNHUSKSMMQGE-UHFFFAOYSA-N -2 3 347.780 2.695 20 0 EFADHL CC(C)(C)c1cc([N-]C(=O)COC(=O)c2ccc([O-])cc2F)on1 ZINC000773552943 581444361 /nfs/dbraw/zinc/44/43/61/581444361.db2.gz MPGZTLLHVFSJDU-UHFFFAOYSA-N -2 3 336.319 2.612 20 0 EFADHL O=C([O-])C[C@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000819380408 597070465 /nfs/dbraw/zinc/07/04/65/597070465.db2.gz KTJLFEWTFIAVTD-LLVKDONJSA-N -2 3 341.367 2.768 20 0 EFADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c(C)c1 ZINC000324298495 597314536 /nfs/dbraw/zinc/31/45/36/597314536.db2.gz CFDXMIDLIVGGGA-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3c2cccc3Cl)o1 ZINC000740175077 599775003 /nfs/dbraw/zinc/77/50/03/599775003.db2.gz DAKWUFQPJRBBKD-LLVKDONJSA-N -2 3 341.772 2.597 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCCCc2ccccc2)o1 ZINC000740174993 599778427 /nfs/dbraw/zinc/77/84/27/599778427.db2.gz AUFPYCYITSTDBQ-UHFFFAOYSA-N -2 3 337.397 2.669 20 0 EFADHL O=C([O-])c1sccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000061093778 599852106 /nfs/dbraw/zinc/85/21/06/599852106.db2.gz NSRVEHAPSUWRKK-UHFFFAOYSA-N -2 3 337.300 2.664 20 0 EFADHL COc1cccc(C(=O)Nc2cccc(CSCC(=O)[O-])c2)c1[O-] ZINC000738082597 599923849 /nfs/dbraw/zinc/92/38/49/599923849.db2.gz BBWAOMQMSUHNFC-UHFFFAOYSA-N -2 3 347.392 2.971 20 0 EFADHL COc1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c([O-])c1 ZINC000324172992 599936884 /nfs/dbraw/zinc/93/68/84/599936884.db2.gz GCUFUYLEWFOTHI-OAHLLOKOSA-N -2 3 329.352 2.737 20 0 EFADHL Cc1ccc2oc(C(=O)[N-]c3nnc(CCCC(=O)[O-])s3)cc2n1 ZINC000738680999 600535873 /nfs/dbraw/zinc/53/58/73/600535873.db2.gz PIEAYRBVGPTOPK-UHFFFAOYSA-N -2 3 346.368 2.647 20 0 EFADHL O=C([O-])[C@H](C[N-]C(=O)C(F)(F)F)Cc1cccc2ccccc21 ZINC000739498887 600599010 /nfs/dbraw/zinc/59/90/10/600599010.db2.gz NEFQXQGUHYCXIO-LBPRGKRZSA-N -2 3 325.286 2.762 20 0 EFADHL Cc1ccc(C(=O)Nc2nnc(CCCC(=O)[O-])s2)c([O-])c1C ZINC000738519038 600603309 /nfs/dbraw/zinc/60/33/09/600603309.db2.gz DLDDGOYJGKRRAZ-UHFFFAOYSA-N -2 3 335.385 2.520 20 0 EFADHL O=C([O-])[C@H](C[N-]C(=O)C(F)(F)F)Cc1ccc2ccccc2c1 ZINC000739500635 600604127 /nfs/dbraw/zinc/60/41/27/600604127.db2.gz XKJRBCSPLWGFJU-ZDUSSCGKSA-N -2 3 325.286 2.762 20 0 EFADHL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000731902370 600693654 /nfs/dbraw/zinc/69/36/54/600693654.db2.gz HAWQJTGPYPNTHN-CQSZACIVSA-N -2 3 349.408 2.849 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](CC2CC2)c2ccccc2)o1 ZINC000833324303 600773489 /nfs/dbraw/zinc/77/34/89/600773489.db2.gz BUDWRKBCDKAYGL-ZDUSSCGKSA-N -2 3 335.381 2.798 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1C(=O)[O-] ZINC000028940187 600807942 /nfs/dbraw/zinc/80/79/42/600807942.db2.gz DYXRVQNZJFGFCD-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL COc1cccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1[O-] ZINC000325319500 600850009 /nfs/dbraw/zinc/85/00/09/600850009.db2.gz CQDKHYKBOOGSLH-NSHDSACASA-N -2 3 327.336 2.620 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cccnc2Cl)ccc1C(=O)[O-] ZINC000313869009 600886425 /nfs/dbraw/zinc/88/64/25/600886425.db2.gz QJTXBDZEPCZTOQ-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000833188062 600889414 /nfs/dbraw/zinc/88/94/14/600889414.db2.gz VTPXAYAXOOEUSI-DTWKUNHWSA-N -2 3 342.189 2.984 20 0 EFADHL O=C([O-])C[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(Cl)c1 ZINC000833200539 600980645 /nfs/dbraw/zinc/98/06/45/600980645.db2.gz UAWIUHRMEIHJAJ-CYBMUJFWSA-N -2 3 335.743 2.697 20 0 EFADHL C[C@H](CN(C)C(=O)c1cc(Oc2ccccc2)ccc1[O-])C(=O)[O-] ZINC000827436736 601187762 /nfs/dbraw/zinc/18/77/62/601187762.db2.gz HPMHICNFVOZBAD-GFCCVEGCSA-N -2 3 329.352 2.977 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000833028995 601216860 /nfs/dbraw/zinc/21/68/60/601216860.db2.gz VUCBDUYQFSNNFM-ZETCQYMHSA-N -2 3 345.323 2.604 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)cc1C(=O)[O-] ZINC000833026725 601217282 /nfs/dbraw/zinc/21/72/82/601217282.db2.gz IXKHFFUURWTOOV-UHFFFAOYSA-N -2 3 335.337 2.511 20 0 EFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@@H]1C ZINC000320024247 601227882 /nfs/dbraw/zinc/22/78/82/601227882.db2.gz OYTYNBQJDABTJG-FXPVBKGRSA-N -2 3 347.383 2.766 20 0 EFADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000314548091 601229945 /nfs/dbraw/zinc/22/99/45/601229945.db2.gz VBPVPYCBAPEADM-BDAKNGLRSA-N -2 3 333.356 2.520 20 0 EFADHL C[C@@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000323606742 601232245 /nfs/dbraw/zinc/23/22/45/601232245.db2.gz SCZAMFYWINTXLZ-NXEZZACHSA-N -2 3 347.383 2.768 20 0 EFADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC000318128334 601236871 /nfs/dbraw/zinc/23/68/71/601236871.db2.gz SGSOSFAQIOQZMT-QMMMGPOBSA-N -2 3 335.372 2.624 20 0 EFADHL C[C@@H]1CC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C[C@@H](C)C1 ZINC000320788076 601237728 /nfs/dbraw/zinc/23/77/28/601237728.db2.gz SUECWTXFQZKGIY-IUCAKERBSA-N -2 3 347.383 2.766 20 0 EFADHL CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000316011408 601238961 /nfs/dbraw/zinc/23/89/61/601238961.db2.gz RXRYROPNNPPJHI-DTWKUNHWSA-N -2 3 335.372 2.766 20 0 EFADHL O=C([O-])c1cc(C(=O)Nc2ccc(Br)cc2[O-])ccn1 ZINC000833152759 601277765 /nfs/dbraw/zinc/27/77/65/601277765.db2.gz GAGMNGMYGUPCBG-UHFFFAOYSA-N -2 3 337.129 2.500 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1F ZINC000072003598 601327173 /nfs/dbraw/zinc/32/71/73/601327173.db2.gz IKNILABBJDMZAS-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL CC(C)C[C@@H](NC(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC000826800297 601334877 /nfs/dbraw/zinc/33/48/77/601334877.db2.gz JBVCWVWLZYNVEZ-SNVBAGLBSA-N -2 3 345.193 2.776 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000832935195 601384586 /nfs/dbraw/zinc/38/45/86/601384586.db2.gz BQVGFNLVNGWXPY-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL O=C([O-])[C@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000738535543 601576850 /nfs/dbraw/zinc/57/68/50/601576850.db2.gz QPCMRVVGOZLCCP-LLVKDONJSA-N -2 3 327.340 2.521 20 0 EFADHL O=C([O-])[C@@]1(F)CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000833354381 601759540 /nfs/dbraw/zinc/75/95/40/601759540.db2.gz RJUWJZKVTITARX-GOSISDBHSA-N -2 3 345.326 2.823 20 0 EFADHL CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000388684965 601809957 /nfs/dbraw/zinc/80/99/57/601809957.db2.gz JMVHAYAJIMGOFI-PSASIEDQSA-N -2 3 333.356 2.520 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000326639380 601855379 /nfs/dbraw/zinc/85/53/79/601855379.db2.gz TUYHTTHVQAEWTK-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1cc(F)c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)cc1F ZINC000832887426 601865994 /nfs/dbraw/zinc/86/59/94/601865994.db2.gz YPIJBZJOEHAMHX-UHFFFAOYSA-N -2 3 341.339 2.784 20 0 EFADHL CC(C)c1csc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)n1 ZINC000827144971 602010655 /nfs/dbraw/zinc/01/06/55/602010655.db2.gz ZDYKIAZVVHVOBB-UHFFFAOYSA-N -2 3 346.455 2.505 20 0 EFADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000833132275 602056768 /nfs/dbraw/zinc/05/67/68/602056768.db2.gz ZQXNENVHNOJDHC-HIFRSBDPSA-N -2 3 342.395 2.682 20 0 EFADHL O=C([O-])[C@H]1CCCCCC[C@@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000833132277 602057149 /nfs/dbraw/zinc/05/71/49/602057149.db2.gz ZQXNENVHNOJDHC-ZFWWWQNUSA-N -2 3 342.395 2.682 20 0 EFADHL O=C([O-])CCc1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000833241096 604726907 /nfs/dbraw/zinc/72/69/07/604726907.db2.gz VYCNLLSMTYJIFY-UHFFFAOYSA-N -2 3 348.277 2.969 20 0 EFADHL O=C([O-])c1cccc(NC2CCN(C(=O)c3ccccc3[O-])CC2)c1 ZINC000833331568 604789331 /nfs/dbraw/zinc/78/93/31/604789331.db2.gz FMRJTZLSBZIAKG-UHFFFAOYSA-N -2 3 340.379 2.807 20 0 EFADHL CCOc1cc(C(=O)Nc2cccc([O-])c2F)ccc1OCC(=O)[O-] ZINC000833663909 604989356 /nfs/dbraw/zinc/98/93/56/604989356.db2.gz VJSJYIACGGEPBH-UHFFFAOYSA-N -2 3 349.314 2.646 20 0 EFADHL CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833425825 605016286 /nfs/dbraw/zinc/01/62/86/605016286.db2.gz QHVVPSSQLSGLPZ-UWVGGRQHSA-N -2 3 346.474 2.725 20 0 EFADHL CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833425828 605016378 /nfs/dbraw/zinc/01/63/78/605016378.db2.gz QHVVPSSQLSGLPZ-VHSXEESVSA-N -2 3 346.474 2.725 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c(C)c1 ZINC000833733319 605188072 /nfs/dbraw/zinc/18/80/72/605188072.db2.gz NSUFKWBNSZEHRL-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CC1(C)CC([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC(C)(C)C1 ZINC000833557111 605208435 /nfs/dbraw/zinc/20/84/35/605208435.db2.gz MEHFOPXQIBRWJY-UHFFFAOYSA-N -2 3 346.474 2.725 20 0 EFADHL C[C@@]1(C(=O)[O-])CCC[C@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000700690805 1269413292 /nfs/dbraw/zinc/41/32/92/1269413292.db2.gz ZKMWFRNQNIRZGN-BXUZGUMPSA-N -2 3 342.189 2.528 20 0 EFADHL O=C(NCCCCP(=O)([O-])[O-])c1ccc(-c2ccc(O)cc2)cc1 ZINC001148883303 1281810110 /nfs/dbraw/zinc/81/01/10/1281810110.db2.gz XOLUPLYNDPJVBR-UHFFFAOYSA-N -2 3 349.323 2.747 20 0 EFADHL O=c1[n-]cnc(Nc2c(F)cc(F)c([O-])c2F)c1Br ZINC001176662908 1288083250 /nfs/dbraw/zinc/08/32/50/1288083250.db2.gz CLKWCUCJHRFAIQ-UHFFFAOYSA-N -2 3 336.067 2.811 20 0 EFADHL C[C@@H](OCCP(=O)([O-])[O-])c1c(F)cccc1Br ZINC001224601558 1311412294 /nfs/dbraw/zinc/41/22/94/1311412294.db2.gz IATQONOYBVAEEM-SSDOTTSWSA-N -2 3 327.086 2.844 20 0 EFADHL O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cccc(F)c1[O-] ZINC001183251169 1290317241 /nfs/dbraw/zinc/31/72/41/1290317241.db2.gz OBGQEYLNHZAJGG-UHFFFAOYSA-N -2 3 348.721 2.928 20 0 EFADHL O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cccc(F)c1[O-] ZINC001183251169 1290317250 /nfs/dbraw/zinc/31/72/50/1290317250.db2.gz OBGQEYLNHZAJGG-UHFFFAOYSA-N -2 3 348.721 2.928 20 0 EFADHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1nc(C(F)(F)F)c[n-]1 ZINC001188288643 1291351421 /nfs/dbraw/zinc/35/14/21/1291351421.db2.gz HTEFKBMLMWTSKW-UHFFFAOYSA-N -2 3 337.261 2.572 20 0 EFADHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1ncc(C(F)(F)F)[n-]1 ZINC001188288643 1291351431 /nfs/dbraw/zinc/35/14/31/1291351431.db2.gz HTEFKBMLMWTSKW-UHFFFAOYSA-N -2 3 337.261 2.572 20 0 EFADHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(F)cc(C(F)(F)F)c1 ZINC001189956775 1291946548 /nfs/dbraw/zinc/94/65/48/1291946548.db2.gz DPTMZZWDIWVVJS-UHFFFAOYSA-N -2 3 336.266 2.746 20 0 EFADHL Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3ccc(F)c([O-])c3)c2)o1 ZINC001192265522 1292850729 /nfs/dbraw/zinc/85/07/29/1292850729.db2.gz OEOJBRINHGJSLR-UHFFFAOYSA-N -2 3 349.343 2.691 20 0 EFADHL CC/C=C/NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193288229 1293236769 /nfs/dbraw/zinc/23/67/69/1293236769.db2.gz GZMGQUILFDJDJQ-QDEBKDIKSA-N -2 3 346.408 2.847 20 0 EFADHL COc1ncccc1S(=O)(=O)[N-]c1c([S-])cccc1Cl ZINC001194720835 1293705610 /nfs/dbraw/zinc/70/56/10/1293705610.db2.gz XNIJTZSWISVRAW-UHFFFAOYSA-N -2 3 330.818 2.833 20 0 EFADHL CCOc1ccc([C@@H](C)Oc2[n-]c(=O)nc3cn[n-]c32)c(OCC)c1 ZINC001233940277 1313021831 /nfs/dbraw/zinc/02/18/31/1313021831.db2.gz VSNOYZXDBUGVGA-SNVBAGLBSA-N -2 3 344.371 2.584 20 0 EFADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccc1OC(F)(F)F ZINC001233939470 1313021919 /nfs/dbraw/zinc/02/19/19/1313021919.db2.gz KBBIISQTJCUYTB-ZETCQYMHSA-N -2 3 340.261 2.685 20 0 EFADHL COc1ccc2cc([C@H](C)Oc3[n-]c(=O)nc4cn[n-]c43)ccc2c1 ZINC001233940214 1313022047 /nfs/dbraw/zinc/02/20/47/1313022047.db2.gz TVSADWQTFNTHEF-JTQLQIEISA-N -2 3 336.351 2.948 20 0 EFADHL Cc1cc(OC(C)C)cc(C)c1COc1[n-]c(=O)nc2cn[n-]c21 ZINC001233942497 1313022952 /nfs/dbraw/zinc/02/29/52/1313022952.db2.gz CYSOSBURYRZSSO-UHFFFAOYSA-N -2 3 328.372 2.629 20 0 EFADHL O=c1nc2cn[n-]c2c(O[C@@H]2CCc3cc(C(F)(F)F)ccc32)[n-]1 ZINC001233942283 1313022991 /nfs/dbraw/zinc/02/29/91/1313022991.db2.gz ADPADOGBIIWLKC-LLVKDONJSA-N -2 3 336.273 2.731 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCCCC2)c(F)cc1F ZINC001195185771 1293828025 /nfs/dbraw/zinc/82/80/25/1293828025.db2.gz BLRBRDZYDJRMJM-UHFFFAOYSA-N -2 3 333.356 2.522 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCCC23CCC3)c(F)cc1F ZINC001195267805 1293868411 /nfs/dbraw/zinc/86/84/11/1293868411.db2.gz HKDXIKRCDGSIAF-CYBMUJFWSA-N -2 3 345.367 2.664 20 0 EFADHL O=C(Nc1nc(Br)ccc1[O-])c1cc([O-])cnc1Cl ZINC001195297432 1293883535 /nfs/dbraw/zinc/88/35/35/1293883535.db2.gz BAOYRJOSWKWKHZ-UHFFFAOYSA-N -2 3 344.552 2.556 20 0 EFADHL COc1cccc(Cl)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198782674 1295228342 /nfs/dbraw/zinc/22/83/42/1295228342.db2.gz MCRTZTPVKGUMOC-UHFFFAOYSA-N -2 3 341.772 2.848 20 0 EFADHL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cccc(Cl)c2[O-])cc1 ZINC001210220390 1314297886 /nfs/dbraw/zinc/29/78/86/1314297886.db2.gz UJUHWWICSMOZSI-UHFFFAOYSA-N -2 3 340.788 2.614 20 0 EFADHL O=C([O-])c1cc(-c2ccc(Cc3nnn[n-]3)cc2)c(F)cc1Cl ZINC001244612104 1314394993 /nfs/dbraw/zinc/39/49/93/1314394993.db2.gz KSRFVSVVGUPYRK-UHFFFAOYSA-N -2 3 332.722 2.948 20 0 EFADHL O=C([O-])c1cc(-c2ccc(Cc3nn[n-]n3)cc2)c(F)cc1Cl ZINC001244612104 1314394996 /nfs/dbraw/zinc/39/49/96/1314394996.db2.gz KSRFVSVVGUPYRK-UHFFFAOYSA-N -2 3 332.722 2.948 20 0 EFADHL CC(C)Oc1ncc(Cl)cc1COCCCCP(=O)([O-])[O-] ZINC001225020213 1311464870 /nfs/dbraw/zinc/46/48/70/1311464870.db2.gz LEYLQWZOPZDVRV-UHFFFAOYSA-N -2 3 337.740 2.997 20 0 EFADHL [S-]c1[n-]c(OC[C@H]2CCC(c3ccccc3)=NO2)nc2ncnc1-2 ZINC001226781409 1311722058 /nfs/dbraw/zinc/72/20/58/1311722058.db2.gz GOFXYMZDCWFOKH-LLVKDONJSA-N -2 3 341.396 2.604 20 0 EFADHL C[C@@H]1CCCC[C@H]1Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227593552 1311826064 /nfs/dbraw/zinc/82/60/64/1311826064.db2.gz DHGFTBFZAQSTCD-RNFRBKRXSA-N -2 3 327.182 2.779 20 0 EFADHL C[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1ccco1 ZINC001227597613 1311826513 /nfs/dbraw/zinc/82/65/13/1311826513.db2.gz QWPZAMDWNBYUCF-RXMQYKEDSA-N -2 3 325.122 2.554 20 0 EFADHL CCOC[C@H](C)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121553 1311902649 /nfs/dbraw/zinc/90/26/49/1311902649.db2.gz DWOAOPHSQSFPBQ-NSHDSACASA-N -2 3 332.352 2.838 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1OC1CCOCC1 ZINC001228120490 1311902882 /nfs/dbraw/zinc/90/28/82/1311902882.db2.gz WIOREDDFONARMX-UHFFFAOYSA-N -2 3 330.336 2.592 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@@H]1CCCCC1=O ZINC001228122483 1311903074 /nfs/dbraw/zinc/90/30/74/1311903074.db2.gz NHECTBJWNZSHHD-QGZVFWFLSA-N -2 3 342.347 2.925 20 0 EFADHL COc1c(Nc2cccc(C(=O)N(C)C)c2[O-])cccc1C(=O)[O-] ZINC001211040389 1314427261 /nfs/dbraw/zinc/42/72/61/1314427261.db2.gz LYGUUUYKABRCFF-UHFFFAOYSA-N -2 3 330.340 2.544 20 0 EFADHL Cc1ccc(NC(=S)NCCCCP(=O)([O-])[O-])cc1Cl ZINC001245855653 1314541526 /nfs/dbraw/zinc/54/15/26/1314541526.db2.gz PPBQPOBBPKZOFT-UHFFFAOYSA-N -2 3 336.781 2.893 20 0 EFADHL COc1ccc(Nc2cc(F)c([O-])c(F)c2)c(S(=O)(=O)[O-])c1 ZINC001213384667 1314546606 /nfs/dbraw/zinc/54/66/06/1314546606.db2.gz ZPMJCYVQFRAYPA-UHFFFAOYSA-N -2 3 331.296 2.669 20 0 EFADHL CCOc1ccc(C(=O)[O-])cc1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001214279669 1314671523 /nfs/dbraw/zinc/67/15/23/1314671523.db2.gz YSQSCFLMZSNKIE-UHFFFAOYSA-N -2 3 344.367 2.935 20 0 EFADHL CN(C)C(=O)c1cccc(Nc2cc(CC(=O)[O-])ccc2F)c1[O-] ZINC001216685859 1314993365 /nfs/dbraw/zinc/99/33/65/1314993365.db2.gz YKJMXSIEZVTWBR-UHFFFAOYSA-N -2 3 332.331 2.604 20 0 EFADHL CC(C)(C)OC(=O)c1ccc([N-]S(=O)(=O)C(F)(F)F)c([O-])c1 ZINC001252364630 1315439525 /nfs/dbraw/zinc/43/95/25/1315439525.db2.gz PYHOCRBEULMRMU-UHFFFAOYSA-N -2 3 341.307 2.609 20 0 EFADHL COC(=O)c1ccccc1S(=O)(=O)[N-]c1cc([O-])cc(Cl)c1 ZINC001254044792 1315669025 /nfs/dbraw/zinc/66/90/25/1315669025.db2.gz HWYOIVYPZXLONK-UHFFFAOYSA-N -2 3 341.772 2.633 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001256958729 1316015249 /nfs/dbraw/zinc/01/52/49/1316015249.db2.gz RESWWHQUOKAFBU-UHFFFAOYSA-N -2 3 329.381 2.687 20 0 EFADHL O=S(=O)([N-]c1c(Cl)ccc(Br)c1[O-])C1CC1 ZINC001259276945 1316224515 /nfs/dbraw/zinc/22/45/15/1316224515.db2.gz NWFHYRGNFWLQLR-UHFFFAOYSA-N -2 3 326.599 2.712 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccsc2)c(F)cc1Cl ZINC001259212836 1316221528 /nfs/dbraw/zinc/22/15/28/1316221528.db2.gz ZWVQNMIRYOPULK-UHFFFAOYSA-N -2 3 349.792 2.717 20 0 EFADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc2c(c1)CCO2 ZINC001259349565 1316231876 /nfs/dbraw/zinc/23/18/76/1316231876.db2.gz PSYCTBIRRZKWLK-UHFFFAOYSA-N -2 3 348.405 2.738 20 0 EFADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1ccc2ncsc2c1 ZINC001259391412 1316236426 /nfs/dbraw/zinc/23/64/26/1316236426.db2.gz IVOZMOZZJKRDQU-UHFFFAOYSA-N -2 3 341.801 2.851 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)Nc2cccc([O-])c2Cl)c1 ZINC001260189975 1316321976 /nfs/dbraw/zinc/32/19/76/1316321976.db2.gz SNZNZXQBJIVYKE-UHFFFAOYSA-N -2 3 327.745 2.545 20 0 EFADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(F)c1 ZINC001260227506 1316324215 /nfs/dbraw/zinc/32/42/15/1316324215.db2.gz AZQQLKBNLGTWTA-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc3occc3c2)ccc1O ZINC001260399500 1316337268 /nfs/dbraw/zinc/33/72/68/1316337268.db2.gz ORPUCEHQPJHHQV-UHFFFAOYSA-N -2 3 333.321 2.637 20 0 EFADHL Cc1cc(Cl)cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC001260400125 1316337384 /nfs/dbraw/zinc/33/73/84/1316337384.db2.gz NXLQGHAZPZKRAB-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ncc([O-])cc2Br)s1 ZINC001260679910 1316357874 /nfs/dbraw/zinc/35/78/74/1316357874.db2.gz OXFRRUBAODSCGC-UHFFFAOYSA-N -2 3 349.231 2.720 20 0 EFADHL O=S(=O)([N-]c1ccc(CO)cc1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875546 1316375098 /nfs/dbraw/zinc/37/50/98/1316375098.db2.gz VDRDNKMCCCRQKE-UHFFFAOYSA-N -2 3 348.207 2.992 20 0 EFADHL O=C([N-]c1nnc(-c2ccncc2)s1)c1c(F)ccc([O-])c1F ZINC001323732524 1329565998 /nfs/dbraw/zinc/56/59/98/1329565998.db2.gz XJDHKIHXJDDRNZ-UHFFFAOYSA-N -2 3 334.307 2.836 20 0 EFADHL CCOC(=O)c1ncc(NC(=O)c2cccc(C(F)(F)F)c2[O-])[n-]1 ZINC001454458998 1393030826 /nfs/dbraw/zinc/03/08/26/1393030826.db2.gz FPUCPGIYRCEAPN-UHFFFAOYSA-N -2 3 343.261 2.563 20 0 EFADHL CCOC(=O)c1nc(NC(=O)c2cccc(C(F)(F)F)c2[O-])c[n-]1 ZINC001454458998 1393030830 /nfs/dbraw/zinc/03/08/30/1393030830.db2.gz FPUCPGIYRCEAPN-UHFFFAOYSA-N -2 3 343.261 2.563 20 0 EFADHL CC(=O)c1ccc(C(=O)[N-]c2n[nH]c(-c3ccc([O-])c(Cl)c3)n2)o1 ZINC001457773593 1395323623 /nfs/dbraw/zinc/32/36/23/1395323623.db2.gz GSORUHRLWQCZQW-UHFFFAOYSA-N -2 3 346.730 2.879 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@H](c2nnn[n-]2)c2ccccc2)c([O-])c1 ZINC001557722738 1415140244 /nfs/dbraw/zinc/14/02/44/1415140244.db2.gz ISFXURMHCRWACX-INIZCTEOSA-N -2 3 337.383 2.548 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c(C)c1 ZINC000074811060 1424741943 /nfs/dbraw/zinc/74/19/43/1424741943.db2.gz PEYGAIUFZIMGDK-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c(C)c1 ZINC000074811060 1424741946 /nfs/dbraw/zinc/74/19/46/1424741946.db2.gz PEYGAIUFZIMGDK-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL CN(C(=O)c1cc2c(cc1[O-])CCCC2)c1cccc(-c2nn[n-]n2)c1 ZINC000825825932 1425192349 /nfs/dbraw/zinc/19/23/49/1425192349.db2.gz OJAXPGONJUUHBK-UHFFFAOYSA-N -2 3 349.394 2.728 20 0 EFADHL CN(C(=O)c1cc2c(cc1[O-])CCCC2)c1cccc(-c2nnn[n-]2)c1 ZINC000825825932 1425192353 /nfs/dbraw/zinc/19/23/53/1425192353.db2.gz OJAXPGONJUUHBK-UHFFFAOYSA-N -2 3 349.394 2.728 20 0 EFADHL Cc1cc([N-]C(=O)N[C@H](C)c2ccc(-c3nn[n-]n3)cc2)sn1 ZINC000822208147 1429929733 /nfs/dbraw/zinc/92/97/33/1429929733.db2.gz DAJHJEMSUPFYCR-SECBINFHSA-N -2 3 329.389 2.514 20 0 EFADHL Cc1cc([N-]C(=O)N[C@H](C)c2ccc(-c3nnn[n-]3)cc2)sn1 ZINC000822208147 1429929735 /nfs/dbraw/zinc/92/97/35/1429929735.db2.gz DAJHJEMSUPFYCR-SECBINFHSA-N -2 3 329.389 2.514 20 0 EFADHL CC[C@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825049293 1441616823 /nfs/dbraw/zinc/61/68/23/1441616823.db2.gz AHPSUKWIRDUMBM-VIFPVBQESA-N -2 3 328.401 2.975 20 0 EFADHL CC[C@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825049293 1441616826 /nfs/dbraw/zinc/61/68/26/1441616826.db2.gz AHPSUKWIRDUMBM-VIFPVBQESA-N -2 3 328.401 2.975 20 0 EFADHL CCCc1cnc([N-]C(=O)CCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825348675 1441698284 /nfs/dbraw/zinc/69/82/84/1441698284.db2.gz VYJRGBXPFHUOSO-UHFFFAOYSA-N -2 3 342.428 2.847 20 0 EFADHL CCCc1cnc([N-]C(=O)CCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825348675 1441698288 /nfs/dbraw/zinc/69/82/88/1441698288.db2.gz VYJRGBXPFHUOSO-UHFFFAOYSA-N -2 3 342.428 2.847 20 0 EFADHL C[C@@H]1C[C@H]1C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824899591 1442432308 /nfs/dbraw/zinc/43/23/08/1442432308.db2.gz LLYRXBOQFRQVEB-LDYMZIIASA-N -2 3 326.385 2.585 20 0 EFADHL C[C@@H]1C[C@H]1C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824899591 1442432310 /nfs/dbraw/zinc/43/23/10/1442432310.db2.gz LLYRXBOQFRQVEB-LDYMZIIASA-N -2 3 326.385 2.585 20 0 EFADHL CCc1cnc([N-]C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000821499242 1446307802 /nfs/dbraw/zinc/30/78/02/1446307802.db2.gz GBNTYJMMGVMCOO-UHFFFAOYSA-N -2 3 343.416 2.550 20 0 EFADHL CCc1cnc([N-]C(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000821499242 1446307807 /nfs/dbraw/zinc/30/78/07/1446307807.db2.gz GBNTYJMMGVMCOO-UHFFFAOYSA-N -2 3 343.416 2.550 20 0 EFADHL Cc1ncsc1[N-]C(=O)CSCc1ccc(-c2nn[n-]n2)cc1 ZINC000822482549 1447238783 /nfs/dbraw/zinc/23/87/83/1447238783.db2.gz VRFLRHZAXSLRFO-UHFFFAOYSA-N -2 3 346.441 2.504 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)cc1C ZINC000737362441 1449060311 /nfs/dbraw/zinc/06/03/11/1449060311.db2.gz OVTUGRMLKDLVRN-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)cc1C ZINC000737362441 1449060316 /nfs/dbraw/zinc/06/03/16/1449060316.db2.gz OVTUGRMLKDLVRN-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)n1 ZINC000822210907 1450227439 /nfs/dbraw/zinc/22/74/39/1450227439.db2.gz WDIMFPJTCTXWQC-SNVBAGLBSA-N -2 3 343.416 2.536 20 0 EFADHL Cc1cc(=O)[n-]c([C@@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)n1 ZINC000822210907 1450227443 /nfs/dbraw/zinc/22/74/43/1450227443.db2.gz WDIMFPJTCTXWQC-SNVBAGLBSA-N -2 3 343.416 2.536 20 0 EFADHL CCCC[C@@H](Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1)C(=O)[O-] ZINC000263561671 716989458 /nfs/dbraw/zinc/98/94/58/716989458.db2.gz SBHSZMOTGONKGJ-CYBMUJFWSA-N -2 3 330.388 2.862 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)c1 ZINC000000189859 720797811 /nfs/dbraw/zinc/79/78/11/720797811.db2.gz ZZFLALFEBQFGGM-UHFFFAOYSA-N -3 3 327.745 2.545 20 0 EFADHL C[C@@H](CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC000909456936 723414300 /nfs/dbraw/zinc/41/43/00/723414300.db2.gz YILDPCJIFRSPKQ-QMMMGPOBSA-N -2 3 331.290 2.736 20 0 EFADHL O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909539548 723552133 /nfs/dbraw/zinc/55/21/33/723552133.db2.gz ZQBAEENMPIPMDA-HNNXBMFYSA-N -2 3 345.370 2.666 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)cc1 ZINC000321838550 726272239 /nfs/dbraw/zinc/27/22/39/726272239.db2.gz RPLPVXSETHFUPU-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C([O-])C1([N-]C(=O)C(F)(F)c2cccc(Br)c2)CCC1 ZINC000907610671 726970929 /nfs/dbraw/zinc/97/09/29/726970929.db2.gz ZBWRGVDRIOIBRD-UHFFFAOYSA-N -2 3 348.143 2.664 20 0 EFADHL O=C([O-])[C@H]1CC12CCN(C(=O)c1cc([O-])c3ccccc3c1)CC2 ZINC000908659061 727237186 /nfs/dbraw/zinc/23/71/86/727237186.db2.gz IYIVISJUNQRZRQ-OAHLLOKOSA-N -2 3 325.364 2.872 20 0 EFADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1nnc2ccccc2c1[O-] ZINC000163581137 727279653 /nfs/dbraw/zinc/27/96/53/727279653.db2.gz CAPKOOADSGUWKM-UHFFFAOYSA-N -2 3 338.348 2.605 20 0 EFADHL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cc([O-])ccc1Cl ZINC000908981526 727297753 /nfs/dbraw/zinc/29/77/53/727297753.db2.gz WZSPWMAYXCRABQ-NSHDSACASA-N -2 3 343.807 2.635 20 0 EFADHL O=C([O-])C[C@H]1CSCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000909003761 727306084 /nfs/dbraw/zinc/30/60/84/727306084.db2.gz BHSCOWRNRBJQCR-ZDUSSCGKSA-N -2 3 331.393 2.578 20 0 EFADHL CC[C@@](C)(CC(=O)[O-])NC(=O)c1cc([O-])cc(Br)c1 ZINC000909054230 727314934 /nfs/dbraw/zinc/31/49/34/727314934.db2.gz DVNVNUJLIFZDFL-ZDUSSCGKSA-N -2 3 330.178 2.528 20 0 EFADHL CC(C)C[C@@H](C(=O)[O-])N(C)C(=O)c1cc([O-])cc(Br)c1 ZINC000909856445 727386064 /nfs/dbraw/zinc/38/60/64/727386064.db2.gz VXSAJRWRSIAKBJ-LBPRGKRZSA-N -2 3 344.205 2.726 20 0 EFADHL O=C([O-])[C@@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@H]1C1CC1 ZINC000909903517 727394741 /nfs/dbraw/zinc/39/47/41/727394741.db2.gz IQKBIOUBKVVRMB-QWHCGFSZSA-N -2 3 343.301 2.594 20 0 EFADHL O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000910104015 727412545 /nfs/dbraw/zinc/41/25/45/727412545.db2.gz UTXCTGCOTFLOEJ-HOTGVXAUSA-N -2 3 343.354 2.891 20 0 EFADHL O=C([O-])[C@]12CN(C(=O)CCCc3ccc([O-])c(F)c3)C[C@H]1CCCC2 ZINC000910152833 727415877 /nfs/dbraw/zinc/41/58/77/727415877.db2.gz VENAEVSPLZIIMB-AUUYWEPGSA-N -2 3 349.402 2.957 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1F ZINC000182496113 728190399 /nfs/dbraw/zinc/19/03/99/728190399.db2.gz CAFODDLAWUTAHC-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)sc1Cl ZINC000231806561 728636337 /nfs/dbraw/zinc/63/63/37/728636337.db2.gz BBELVXZPDXGGCT-UHFFFAOYSA-N -2 3 337.850 2.776 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1F ZINC000180015866 729672216 /nfs/dbraw/zinc/67/22/16/729672216.db2.gz GRGIFBZSMHAORT-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc2[nH]1 ZINC000324851591 971163401 /nfs/dbraw/zinc/16/34/01/971163401.db2.gz HDZWWRALNCYIAN-UHFFFAOYSA-N -2 3 349.343 2.509 20 0 EFADHL O=C([O-])C1(CNC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000325345351 971207145 /nfs/dbraw/zinc/20/71/45/971207145.db2.gz DIEAEYWYXIWVJT-UHFFFAOYSA-N -2 3 328.368 2.705 20 0 EFADHL O=C([O-])c1ccnc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)c1 ZINC001595263993 949728119 /nfs/dbraw/zinc/72/81/19/949728119.db2.gz ZOYCIPURQAKHDW-UHFFFAOYSA-N -2 3 343.726 2.527 20 0 EFADHL O=C([O-])[C@@H]1CCN(C(=O)c2nnc3ccccc3c2[O-])c2ccccc21 ZINC001594932580 954823616 /nfs/dbraw/zinc/82/36/16/954823616.db2.gz CUXFXHZSXSNFDZ-GFCCVEGCSA-N -2 3 349.346 2.554 20 0 EFADHL Cc1onc(OC(F)F)c1[N-]C(=O)c1coc(/C=C/C(=O)[O-])c1 ZINC001594510100 955377262 /nfs/dbraw/zinc/37/72/62/955377262.db2.gz BAOILABVKIUGAW-NSCUHMNNSA-N -2 3 328.227 2.528 20 0 EFADHL C[C@@H](CNC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001589064734 955746726 /nfs/dbraw/zinc/74/67/26/955746726.db2.gz ZRNNUHJNMXVWTQ-ZDUSSCGKSA-N -2 3 327.380 2.628 20 0 EFADHL C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C1 ZINC000389466854 972227833 /nfs/dbraw/zinc/22/78/33/972227833.db2.gz UATCPIWEWMOBJI-IUCAKERBSA-N -2 3 349.811 2.892 20 0 EFADHL CCC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000036807649 957236452 /nfs/dbraw/zinc/23/64/52/957236452.db2.gz VCBUSGCWDVETDX-GFCCVEGCSA-N -2 3 340.228 2.915 20 0 EFADHL CC(C)([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000040910635 957380800 /nfs/dbraw/zinc/38/08/00/957380800.db2.gz FLTUNFRCUHBQEJ-UHFFFAOYSA-N -2 3 345.726 2.500 20 0 EFADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(F)cc1F ZINC000047383437 957454952 /nfs/dbraw/zinc/45/49/52/957454952.db2.gz SQYJHAWRPNBJFE-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL COCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000391454459 972338483 /nfs/dbraw/zinc/33/84/83/972338483.db2.gz WDYAVDKPPBUCSG-UHFFFAOYSA-N -2 3 335.381 2.640 20 0 EFADHL C[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CC1 ZINC000124812841 958546846 /nfs/dbraw/zinc/54/68/46/958546846.db2.gz VFRPTLMRLPQAQB-SSDOTTSWSA-N -2 3 335.784 2.502 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1F ZINC001198771675 960583012 /nfs/dbraw/zinc/58/30/12/960583012.db2.gz JJIZEMMGVLBTKL-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL N#Cc1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c(Cl)c1 ZINC000236458056 960632860 /nfs/dbraw/zinc/63/28/60/960632860.db2.gz HKTPTVWKBJGOHU-UHFFFAOYSA-N -2 3 342.785 2.772 20 0 EFADHL CC(C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259222196 960684392 /nfs/dbraw/zinc/68/43/92/960684392.db2.gz LWFKZWIWUTZLMA-MRVPVSSYSA-N -2 3 337.800 2.890 20 0 EFADHL CCc1cccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1[O-] ZINC001573960340 961681699 /nfs/dbraw/zinc/68/16/99/961681699.db2.gz DBOLWVHQRUHXEG-CVEARBPZSA-N -2 3 325.364 2.998 20 0 EFADHL Cc1ccc(C(=O)N[C@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001571174951 962092352 /nfs/dbraw/zinc/09/23/52/962092352.db2.gz AENLUTFXBGEURS-CJNGLKHVSA-N -2 3 327.380 2.762 20 0 EFADHL CCOc1cc(C(=O)[O-])ccc1NC(=O)c1cc(OC)ccc1[O-] ZINC001571195495 962302695 /nfs/dbraw/zinc/30/26/95/962302695.db2.gz HGQFWYRFIDTDOC-UHFFFAOYSA-N -2 3 331.324 2.750 20 0 EFADHL O=C([O-])C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC001571227909 962602642 /nfs/dbraw/zinc/60/26/42/962602642.db2.gz DWOPOBBGXVJQJU-AWEZNQCLSA-N -2 3 335.306 2.545 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1(C)CC1 ZINC001571228737 962608577 /nfs/dbraw/zinc/60/85/77/962608577.db2.gz IYHSQODYBQCDQY-SSDOTTSWSA-N -2 3 335.784 2.644 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000314429882 963751784 /nfs/dbraw/zinc/75/17/84/963751784.db2.gz GFGGAZWNBINWTB-UHFFFAOYSA-N -2 3 339.398 2.533 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCCCC1 ZINC000314451752 963755846 /nfs/dbraw/zinc/75/58/46/963755846.db2.gz IMRABJKJCZOFNA-UHFFFAOYSA-N -2 3 349.811 2.935 20 0 EFADHL CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000316850135 964062700 /nfs/dbraw/zinc/06/27/00/964062700.db2.gz HJTGNZAENZXNLS-OUAUKWLOSA-N -2 3 346.474 2.580 20 0 EFADHL CC1(C(=O)[O-])CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC001326221703 969702465 /nfs/dbraw/zinc/70/24/65/969702465.db2.gz JGIINOKBILIKMB-UHFFFAOYSA-N -2 3 341.367 2.768 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1F ZINC000317378693 970352539 /nfs/dbraw/zinc/35/25/39/970352539.db2.gz IBSZOSNSXWLIDH-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000318225594 970419279 /nfs/dbraw/zinc/41/92/79/970419279.db2.gz IWZAVVGGVVPPMV-IUCAKERBSA-N -2 3 349.811 2.892 20 0 EFADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000318604991 970452790 /nfs/dbraw/zinc/45/27/90/970452790.db2.gz UMVNLESTYAXGRZ-UHFFFAOYSA-N -2 3 341.772 2.848 20 0 EFADHL Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000318834207 970479010 /nfs/dbraw/zinc/47/90/10/970479010.db2.gz AKFMFZNRZXNCMR-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL Cc1cccc([C@@H](NCc2nnc(-c3ccccc3[O-])o2)C(=O)[O-])c1 ZINC001605328464 973183009 /nfs/dbraw/zinc/18/30/09/973183009.db2.gz AGMVYZFRSHZUPT-MRXNPFEDSA-N -2 3 339.351 2.666 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@@H](CC2CCOCC2)C(=O)[O-])c([O-])c1 ZINC001591942701 976472812 /nfs/dbraw/zinc/47/28/12/976472812.db2.gz ZBZOTEJVMJUUMJ-HNNXBMFYSA-N -2 3 335.400 2.515 20 0 EFADHL CC(C)c1ccc(C(=O)NC[C@@H](Cc2ccncc2)C(=O)[O-])c([O-])c1 ZINC001591943306 976478147 /nfs/dbraw/zinc/47/81/47/976478147.db2.gz SPYKSJSIAKJQCX-OAHLLOKOSA-N -2 3 342.395 2.584 20 0 EFADHL CCC[C@](C)(NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700707100 976964395 /nfs/dbraw/zinc/96/43/95/976964395.db2.gz UBTNFQOMPNFPCV-ZDUSSCGKSA-N -2 3 330.178 2.528 20 0 EFADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc3ccccc3o2)s1 ZINC000739712355 978652052 /nfs/dbraw/zinc/65/20/52/978652052.db2.gz QZXGEGXWHSJGGO-UHFFFAOYSA-N -2 3 331.353 2.944 20 0 EFADHL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000806633375 978851174 /nfs/dbraw/zinc/85/11/74/978851174.db2.gz NQIXGYRRUUMTSB-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)CCOCC1CC1 ZINC000818048789 978907474 /nfs/dbraw/zinc/90/74/74/978907474.db2.gz MYBKBBKSVQFVKP-UHFFFAOYSA-N -2 3 349.408 2.706 20 0 EFADHL CC[C@@H](C)n1ncc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)c1C ZINC001595026918 979139394 /nfs/dbraw/zinc/13/93/94/979139394.db2.gz NGEFCOPLIDPTDW-LLVKDONJSA-N -2 3 343.449 2.549 20 0 EFADHL CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001595593833 981558750 /nfs/dbraw/zinc/55/87/50/981558750.db2.gz HOFFRMGLAFDGNZ-ZDUSSCGKSA-N -2 3 337.397 2.668 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCCCC1 ZINC001595604535 981589089 /nfs/dbraw/zinc/58/90/89/981589089.db2.gz JVLWPYMYJCTKLZ-NSHDSACASA-N -2 3 346.474 2.869 20 0 EFADHL CCCCOc1ccc(C(=O)NC[C@@H](CC2CC2)C(=O)[O-])c([O-])c1 ZINC001595777289 982546557 /nfs/dbraw/zinc/54/65/57/982546557.db2.gz PNSWLSUNBLHVLS-CYBMUJFWSA-N -2 3 335.400 2.802 20 0 EFADHL CC(=O)c1ccc(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)cc1[O-] ZINC001589273829 985978001 /nfs/dbraw/zinc/97/80/01/985978001.db2.gz QVNZKMVFFOHCCS-ZDUSSCGKSA-N -2 3 339.347 2.814 20 0 EFADHL CC(=O)c1ccc(C(=O)NCC2(CC(=O)[O-])CCCCC2)cc1[O-] ZINC001589275383 985982033 /nfs/dbraw/zinc/98/20/33/985982033.db2.gz AKHQTSAONAFZAF-UHFFFAOYSA-N -2 3 333.384 2.750 20 0 EFADHL CC(=O)c1ccc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)cc1[O-] ZINC001589277139 985992955 /nfs/dbraw/zinc/99/29/55/985992955.db2.gz DDJBCOQMFZRMQD-UHFFFAOYSA-N -2 3 327.336 2.864 20 0 EFADHL CC(C)(C(=O)[O-])n1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC001589672330 987674002 /nfs/dbraw/zinc/67/40/02/987674002.db2.gz GSGRFVRIZHZQFF-UHFFFAOYSA-N -2 3 349.362 2.509 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)c1 ZINC001597555718 988281779 /nfs/dbraw/zinc/28/17/79/988281779.db2.gz DWRYXSDUIGNLQT-MNOVXSKESA-N -2 3 345.317 2.680 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2CC[C@@H](c3ncc(C(=O)[O-])s3)C2)c1 ZINC001597556201 988287686 /nfs/dbraw/zinc/28/76/86/988287686.db2.gz JPZUMYFESWBONR-LLVKDONJSA-N -2 3 346.408 2.739 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2ccc3cnn(CC(=O)[O-])c3c2)c1 ZINC001597556874 988292074 /nfs/dbraw/zinc/29/20/74/988292074.db2.gz XIMIUAZIVBLCLY-UHFFFAOYSA-N -2 3 339.351 2.641 20 0 EFADHL CCc1cccc(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c1[O-] ZINC001597576722 988368572 /nfs/dbraw/zinc/36/85/72/988368572.db2.gz RFARLBBPLXFTPP-UHFFFAOYSA-N -2 3 325.324 2.781 20 0 EFADHL CSc1ccc([O-])c(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC001599819684 988489841 /nfs/dbraw/zinc/48/98/41/988489841.db2.gz CTKHKJVSGXRMGN-UHFFFAOYSA-N -2 3 331.393 2.785 20 0 EFADHL CSc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC001599819855 988493575 /nfs/dbraw/zinc/49/35/75/988493575.db2.gz JRGPCTAJTWBNAP-MRXNPFEDSA-N -2 3 343.404 2.938 20 0 EFADHL CSc1ccc([O-])c(C(=O)N(CCC(=O)[O-])Cc2ccncc2)c1 ZINC001599819948 988494958 /nfs/dbraw/zinc/49/49/58/988494958.db2.gz JYWNSABNTMKHEF-UHFFFAOYSA-N -2 3 346.408 2.626 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001599820382 988502892 /nfs/dbraw/zinc/50/28/92/988502892.db2.gz XBPJURSBKJZDCY-KRWDZBQOSA-N -2 3 346.408 2.629 20 0 EFADHL COc1cccc2c(C(=O)O[C@H](C(=O)[O-])c3ccccc3F)n[n-]c21 ZINC001599689427 991042221 /nfs/dbraw/zinc/04/22/21/991042221.db2.gz LFJPFGLUJIXEIN-HNNXBMFYSA-N -2 3 344.298 2.693 20 0 EFADHL CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001590980911 991135771 /nfs/dbraw/zinc/13/57/71/991135771.db2.gz MJDMYZWCGSLJTC-ZETCQYMHSA-N -2 3 345.364 2.702 20 0 EFADHL CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001591088247 991620566 /nfs/dbraw/zinc/62/05/66/991620566.db2.gz FWQDUCFRUNKOKJ-NWDGAFQWSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001591227168 992098421 /nfs/dbraw/zinc/09/84/21/992098421.db2.gz DSGTVEMQDSHSHV-YPMHNXCESA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001591227674 992099815 /nfs/dbraw/zinc/09/98/15/992099815.db2.gz JPKWNNUMZBQGML-MNOVXSKESA-N -2 3 346.474 2.725 20 0 EFADHL COc1ccc(OCc2nc(=O)c3c(C)c(C(=O)[O-])sc3[n-]2)cc1 ZINC001599606954 993898745 /nfs/dbraw/zinc/89/87/45/993898745.db2.gz TZHOTKWHSRJAMA-UHFFFAOYSA-N -2 3 346.364 2.579 20 0 EFADHL C[C@@H](Oc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC001593618057 995857054 /nfs/dbraw/zinc/85/70/54/995857054.db2.gz SYNSDYQUTZMGRZ-GFCCVEGCSA-N -2 3 329.352 2.527 20 0 EFADHL C[C@H](Oc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1)C(=O)[O-] ZINC001593618058 995857462 /nfs/dbraw/zinc/85/74/62/995857462.db2.gz SYNSDYQUTZMGRZ-LBPRGKRZSA-N -2 3 329.352 2.527 20 0 EFADHL C[C@]1(C(=O)[O-])CCN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC001593797783 996517028 /nfs/dbraw/zinc/51/70/28/996517028.db2.gz DIELOTKODMWODH-KRWDZBQOSA-N -2 3 346.408 2.805 20 0 EFADHL CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001593865754 996671869 /nfs/dbraw/zinc/67/18/69/996671869.db2.gz VCVUMFJOJYTGAN-AWEZNQCLSA-N -2 3 349.811 2.892 20 0 EFADHL CC1(C)CCC(C)(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CC1 ZINC001593874241 996688633 /nfs/dbraw/zinc/68/86/33/996688633.db2.gz PJZJBZOWPPWDAR-UHFFFAOYSA-N -2 3 329.418 2.863 20 0 EFADHL CO[C@@H]1CCC[C@H]([C@H](NC(=O)c2ccc(C(C)C)cc2[O-])C(=O)[O-])C1 ZINC001599109981 997548665 /nfs/dbraw/zinc/54/86/65/997548665.db2.gz VQVPXZUCSBEWRV-VBQJREDUSA-N -2 3 349.427 2.904 20 0 EFADHL COc1ccc(CCC(=O)[N-]OCc2ccc(C(=O)[O-])c(F)c2)cc1 ZINC001599552719 998037369 /nfs/dbraw/zinc/03/73/69/998037369.db2.gz OHKGVPBNSVEADV-UHFFFAOYSA-N -2 3 347.342 2.713 20 0 EFADHL COc1cc(C(=O)[O-])ccc1CCNC(=O)c1cc([O-])ccc1Cl ZINC001599365296 998325081 /nfs/dbraw/zinc/32/50/81/998325081.db2.gz RCAHSSGQMJZYQC-UHFFFAOYSA-N -2 3 349.770 2.725 20 0 EFADHL Cc1cc(NC(=O)c2ccc([O-])c(Cl)c2)cc(-c2nn[n-]n2)c1 ZINC001580985164 1091055507 /nfs/dbraw/zinc/05/55/07/1091055507.db2.gz QAWGZWMYQGQJKY-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL CC(=Cc1ccc(F)cc1C)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588770020 1092986645 /nfs/dbraw/zinc/98/66/45/1092986645.db2.gz DEZBHWAPXIIJGZ-RMKNXTFCSA-N -2 3 326.335 2.679 20 0 EFADHL CC(=Cc1ccc(F)cc1C)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588770020 1092986655 /nfs/dbraw/zinc/98/66/55/1092986655.db2.gz DEZBHWAPXIIJGZ-RMKNXTFCSA-N -2 3 326.335 2.679 20 0 EFADHL CC(C=C(C)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1)=Cc1ccccc1 ZINC001588771215 1092989007 /nfs/dbraw/zinc/98/90/07/1092989007.db2.gz SGERINITXZQERI-YPOAXGCUSA-N -2 3 334.383 2.765 20 0 EFADHL CC(C=C(C)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1)=Cc1ccccc1 ZINC001588771215 1092989018 /nfs/dbraw/zinc/98/90/18/1092989018.db2.gz SGERINITXZQERI-YPOAXGCUSA-N -2 3 334.383 2.765 20 0 EFADHL CC(=Cc1ccc(Cl)cc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588770946 1092990491 /nfs/dbraw/zinc/99/04/91/1092990491.db2.gz RXXWLLKXFHWNBQ-BQYQJAHWSA-N -2 3 328.763 2.885 20 0 EFADHL CC(=Cc1ccc(Cl)cc1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588770946 1092990496 /nfs/dbraw/zinc/99/04/96/1092990496.db2.gz RXXWLLKXFHWNBQ-BQYQJAHWSA-N -2 3 328.763 2.885 20 0 EFADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2o1 ZINC001589003317 1093017418 /nfs/dbraw/zinc/01/74/18/1093017418.db2.gz WPMDPGZDLWYJOS-LLVKDONJSA-N -2 3 349.350 2.827 20 0 EFADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2o1 ZINC001589003317 1093017427 /nfs/dbraw/zinc/01/74/27/1093017427.db2.gz WPMDPGZDLWYJOS-LLVKDONJSA-N -2 3 349.350 2.827 20 0 EFADHL CC(C)(C)CC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001589123842 1093036216 /nfs/dbraw/zinc/03/62/16/1093036216.db2.gz VHAZKHDZRXOKDJ-SNVBAGLBSA-N -2 3 338.799 2.607 20 0 EFADHL CC(C)(C)CC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001589123842 1093036223 /nfs/dbraw/zinc/03/62/23/1093036223.db2.gz VHAZKHDZRXOKDJ-SNVBAGLBSA-N -2 3 338.799 2.607 20 0 EFADHL CC(C)[C@@H](CNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F)C(=O)[O-] ZINC001589456716 1093085216 /nfs/dbraw/zinc/08/52/16/1093085216.db2.gz LGOBRRUIHCCOPW-SECBINFHSA-N -2 3 343.309 2.654 20 0 EFADHL CCc1c(C)sc([N-]S(=O)(=O)c2ccccc2)c1-c1nn[n-]n1 ZINC001590872877 1093607977 /nfs/dbraw/zinc/60/79/77/1093607977.db2.gz AHKIVGSIEUAZDU-UHFFFAOYSA-N -2 3 349.441 2.600 20 0 EFADHL COc1ccc(C=Cc2nc(C(=O)[O-])c(C)s2)cc1-c1nnn[n-]1 ZINC001591583016 1093779784 /nfs/dbraw/zinc/77/97/84/1093779784.db2.gz XNAGJHITHIGWNX-XQRVVYSFSA-N -2 3 343.368 2.509 20 0 EFADHL COc1ccc(C=Cc2nc(C(=O)[O-])c(C)s2)cc1-c1nn[n-]n1 ZINC001591583016 1093779792 /nfs/dbraw/zinc/77/97/92/1093779792.db2.gz XNAGJHITHIGWNX-XQRVVYSFSA-N -2 3 343.368 2.509 20 0 EFADHL Cc1ccc2c(CC(=O)[N-]Oc3cccc(-c4nnn[n-]4)c3)coc2c1 ZINC001592200362 1094026598 /nfs/dbraw/zinc/02/65/98/1094026598.db2.gz OYQHATDEWSTPHV-UHFFFAOYSA-N -2 3 349.350 2.574 20 0 EFADHL Cc1ccc2c(CC(=O)[N-]Oc3cccc(-c4nn[n-]n4)c3)coc2c1 ZINC001592200362 1094026601 /nfs/dbraw/zinc/02/66/01/1094026601.db2.gz OYQHATDEWSTPHV-UHFFFAOYSA-N -2 3 349.350 2.574 20 0 EFADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(F)c(F)c1[O-] ZINC001592797712 1094189870 /nfs/dbraw/zinc/18/98/70/1094189870.db2.gz KPNNLPPCFAGBEF-YVMONPNESA-N -2 3 343.293 2.502 20 0 EFADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(F)c(F)c1[O-] ZINC001592797712 1094189873 /nfs/dbraw/zinc/18/98/73/1094189873.db2.gz KPNNLPPCFAGBEF-YVMONPNESA-N -2 3 343.293 2.502 20 0 EFADHL O=C(Nc1cc(F)cc(-c2nn[n-]n2)c1)c1c([O-])cccc1Cl ZINC001593206882 1094238140 /nfs/dbraw/zinc/23/81/40/1094238140.db2.gz BLIOQVZPQUTMCA-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1sc2c(c1-c1nnn[n-]1)CCC2)c1cccc(F)c1[O-] ZINC001593270598 1094260497 /nfs/dbraw/zinc/26/04/97/1094260497.db2.gz MNFGGWNNQZIUMW-UHFFFAOYSA-N -2 3 345.359 2.514 20 0 EFADHL O=C(Nc1sc2c(c1-c1nn[n-]n1)CCC2)c1cccc(F)c1[O-] ZINC001593270598 1094260506 /nfs/dbraw/zinc/26/05/06/1094260506.db2.gz MNFGGWNNQZIUMW-UHFFFAOYSA-N -2 3 345.359 2.514 20 0 EFADHL O=C([O-])CC[C@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001593278336 1094262125 /nfs/dbraw/zinc/26/21/25/1094262125.db2.gz ZDTKCJCQJZWKHY-SNVBAGLBSA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CC[C@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001593278336 1094262130 /nfs/dbraw/zinc/26/21/30/1094262130.db2.gz ZDTKCJCQJZWKHY-SNVBAGLBSA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cc(F)c(F)c(F)c2)n1 ZINC001593282706 1094264607 /nfs/dbraw/zinc/26/46/07/1094264607.db2.gz BZORKAIYDNPINA-IWQZZHSRSA-N -2 3 347.256 2.548 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cc(F)c(F)c(F)c2)n1 ZINC001593282706 1094264610 /nfs/dbraw/zinc/26/46/10/1094264610.db2.gz BZORKAIYDNPINA-IWQZZHSRSA-N -2 3 347.256 2.548 20 0 EFADHL O=C([O-])c1ccc2oc(C=Cc3cc(-c4nnn[n-]4)cs3)nc2c1 ZINC001593283356 1094265459 /nfs/dbraw/zinc/26/54/59/1094265459.db2.gz ONWOJGQRRWJVOK-RQOWECAXSA-N -2 3 339.336 2.938 20 0 EFADHL O=C([O-])c1ccc2oc(C=Cc3cc(-c4nn[n-]n4)cs3)nc2c1 ZINC001593283356 1094265463 /nfs/dbraw/zinc/26/54/63/1094265463.db2.gz ONWOJGQRRWJVOK-RQOWECAXSA-N -2 3 339.336 2.938 20 0 EFADHL O=C([O-])c1ccc2nc(C=Cc3cc(-c4nnn[n-]4)cs3)oc2c1 ZINC001593282695 1094265759 /nfs/dbraw/zinc/26/57/59/1094265759.db2.gz BQPFMOZRVIPDGR-DUXPYHPUSA-N -2 3 339.336 2.938 20 0 EFADHL O=C([O-])c1ccc2nc(C=Cc3cc(-c4nn[n-]n4)cs3)oc2c1 ZINC001593282695 1094265762 /nfs/dbraw/zinc/26/57/62/1094265762.db2.gz BQPFMOZRVIPDGR-DUXPYHPUSA-N -2 3 339.336 2.938 20 0 EFADHL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc(CC)ccc1[O-] ZINC001596913218 1094553025 /nfs/dbraw/zinc/55/30/25/1094553025.db2.gz NGDIXJVYWLSYDQ-CYBMUJFWSA-N -2 3 337.416 2.544 20 0 EFADHL Cc1c(C(=O)[O-])cc(CNC(=O)CCCc2ccc([O-])c(F)c2)n1C ZINC001599991895 1094705139 /nfs/dbraw/zinc/70/51/39/1094705139.db2.gz YUJXISXWICRIFW-UHFFFAOYSA-N -2 3 348.374 2.516 20 0 EFADHL Cc1cc(C)c(C(=O)CCCC(=O)[N-]OCCCC(=O)[O-])c(C)c1 ZINC001600146085 1094803653 /nfs/dbraw/zinc/80/36/53/1094803653.db2.gz AXFLQDITZXEVAC-UHFFFAOYSA-N -2 3 335.400 2.877 20 0 EFADHL Cc1cc(=O)[n-]c([C@H](C)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)n1 ZINC001600285715 1094945893 /nfs/dbraw/zinc/94/58/93/1094945893.db2.gz CPRVKVGMBIFGSA-QWRGUYRKSA-N -2 3 348.428 2.586 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCC[C@@H](C)C2)oc1C(=O)[O-] ZINC001600300543 1094952508 /nfs/dbraw/zinc/95/25/08/1094952508.db2.gz XTUIQPSLZIVTDT-ADEWGFFLSA-N -2 3 329.418 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2c2ccccc2)oc1C(=O)[O-] ZINC001600300489 1094952600 /nfs/dbraw/zinc/95/26/00/1094952600.db2.gz TZZUJDGNFFDBFJ-ZIAGYGMSSA-N -2 3 349.408 2.901 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCCC2(C)C)oc1C(=O)[O-] ZINC001600299301 1094953596 /nfs/dbraw/zinc/95/35/96/1094953596.db2.gz XCNQSQGYNGVGEY-NSHDSACASA-N -2 3 329.418 2.781 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC[C@H](C)c2ccccc2)oc1C(=O)[O-] ZINC001600298337 1094953818 /nfs/dbraw/zinc/95/38/18/1094953818.db2.gz CGPKWLLJBWRCOZ-NSHDSACASA-N -2 3 337.397 2.758 20 0 EFADHL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])Oc3ccccc32)c([O-])c1C ZINC001600332454 1094978593 /nfs/dbraw/zinc/97/85/93/1094978593.db2.gz ZFAAVTCYYDCVMU-OAHLLOKOSA-N -2 3 327.336 2.501 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)o1 ZINC001600478897 1095097260 /nfs/dbraw/zinc/09/72/60/1095097260.db2.gz HIGDXJHHDHLBBT-GTNSWQLSSA-N -2 3 349.408 2.744 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])s2)c(F)c1F ZINC001600481406 1095098572 /nfs/dbraw/zinc/09/85/72/1095098572.db2.gz SGNFOWPYYJXCIA-UHFFFAOYSA-N -2 3 347.364 2.511 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)cc1C(=O)[O-] ZINC001600483683 1095099288 /nfs/dbraw/zinc/09/92/88/1095099288.db2.gz HTUGAJKSYZLYAC-UHFFFAOYSA-N -2 3 348.424 2.868 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(O)c2C)c(C(=O)[O-])c1 ZINC001600483167 1095100735 /nfs/dbraw/zinc/10/07/35/1095100735.db2.gz KCKYYYOWOFWTMU-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL Cc1cccc(CS(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])c(C)n2)c1 ZINC001600534147 1095142552 /nfs/dbraw/zinc/14/25/52/1095142552.db2.gz AQEJJESIXROWSU-UHFFFAOYSA-N -2 3 334.397 2.647 20 0 EFADHL Cc1cnc2ccccc2c1N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600626517 1095219960 /nfs/dbraw/zinc/21/99/60/1095219960.db2.gz MFEQEMSCVPQNOP-MMSRSVNZSA-N -2 3 340.379 2.545 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001600691595 1095264658 /nfs/dbraw/zinc/26/46/58/1095264658.db2.gz KNOYYMKHEOHRRX-UHFFFAOYSA-N -2 3 343.383 2.685 20 0 EFADHL Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC001600910293 1095422777 /nfs/dbraw/zinc/42/27/77/1095422777.db2.gz GDHQBKMLJQNNAP-CQSZACIVSA-N -2 3 344.367 2.502 20 0 EFADHL O=C([O-])[C@H](NC(=O)c1cc([O-])ccc1Cl)c1cc(F)ccc1F ZINC001601397661 1095654855 /nfs/dbraw/zinc/65/48/55/1095654855.db2.gz RKVNSATUTDYHOO-CYBMUJFWSA-N -2 3 341.697 2.880 20 0 EFADHL O=C([O-])[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1cc(F)ccc1F ZINC001601397662 1095654969 /nfs/dbraw/zinc/65/49/69/1095654969.db2.gz RKVNSATUTDYHOO-ZDUSSCGKSA-N -2 3 341.697 2.880 20 0 EFADHL O=C([O-])[C@@H](NC(=O)c1ccc(O)cc1[O-])c1cccc2ccccc21 ZINC001601400668 1095658124 /nfs/dbraw/zinc/65/81/24/1095658124.db2.gz NOEHDKTZPMSZLQ-KRWDZBQOSA-N -2 3 337.331 2.807 20 0 EFADHL O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC001601405859 1095661086 /nfs/dbraw/zinc/66/10/86/1095661086.db2.gz FTGUWBMDFACHCV-QMMMGPOBSA-N -2 3 345.195 2.546 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2[n-]cnc2C(F)(F)F)cc2[nH]ccc21 ZINC001601584522 1095743005 /nfs/dbraw/zinc/74/30/05/1095743005.db2.gz ZOBSZSRKUJUQDP-UHFFFAOYSA-N -2 3 338.245 2.860 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2nc[n-]c2C(F)(F)F)cc2[nH]ccc21 ZINC001601584522 1095743024 /nfs/dbraw/zinc/74/30/24/1095743024.db2.gz ZOBSZSRKUJUQDP-UHFFFAOYSA-N -2 3 338.245 2.860 20 0 EFADHL O=C([O-])[C@@H](c1ccc(Cl)cc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001601688711 1095818989 /nfs/dbraw/zinc/81/89/89/1095818989.db2.gz HTXWSCPLTPTPKT-CQSZACIVSA-N -2 3 345.786 2.855 20 0 EFADHL O=C([O-])C[C@@H]1CN(C(=O)c2[n-]cnc2C(F)(F)F)c2ccccc21 ZINC001601960885 1095994387 /nfs/dbraw/zinc/99/43/87/1095994387.db2.gz FIAJZUWBAWOXMJ-MRVPVSSYSA-N -2 3 339.273 2.647 20 0 EFADHL O=C([O-])C[C@@H]1CN(C(=O)c2nc[n-]c2C(F)(F)F)c2ccccc21 ZINC001601960885 1095994396 /nfs/dbraw/zinc/99/43/96/1095994396.db2.gz FIAJZUWBAWOXMJ-MRVPVSSYSA-N -2 3 339.273 2.647 20 0 EFADHL O=C([O-])CC[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1cscn1 ZINC001601973167 1095999685 /nfs/dbraw/zinc/99/96/85/1095999685.db2.gz WUNDBOVLSQRFEN-GFCCVEGCSA-N -2 3 346.474 2.625 20 0 EFADHL O=C([O-])CCC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC001601974635 1096001092 /nfs/dbraw/zinc/00/10/92/1096001092.db2.gz QDQJJLHJTWTUOH-UHFFFAOYSA-N -2 3 342.395 2.826 20 0 EFADHL O=C([O-])Cc1csc([N-]C(=O)c2cc(-c3cccc(F)c3)no2)n1 ZINC001602153455 1096095425 /nfs/dbraw/zinc/09/54/25/1096095425.db2.gz PHOCUKRBINCZRZ-UHFFFAOYSA-N -2 3 347.327 2.817 20 0 EFADHL O=C([O-])c1c[nH]c(SCc2cc(=O)[n-]c(-c3ccccc3)n2)n1 ZINC001602236460 1096131913 /nfs/dbraw/zinc/13/19/13/1096131913.db2.gz BRFVNWDASTVCTF-UHFFFAOYSA-N -2 3 328.353 2.563 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C2CCC=CCC2)c1F ZINC001602266305 1096149800 /nfs/dbraw/zinc/14/98/00/1096149800.db2.gz HUBIAOPDWJQIHT-UHFFFAOYSA-N -2 3 347.795 2.954 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)o1 ZINC001602396893 1096221246 /nfs/dbraw/zinc/22/12/46/1096221246.db2.gz CPYGDAJATANKBY-KBPBESRZSA-N -2 3 349.408 2.983 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)cn1 ZINC001602401843 1096222402 /nfs/dbraw/zinc/22/24/02/1096222402.db2.gz FEGOQYAQTGUVPF-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL O=C([O-])c1ccnc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC001602479988 1096266791 /nfs/dbraw/zinc/26/67/91/1096266791.db2.gz BXPFICDQXBOBKJ-UHFFFAOYSA-N -2 3 326.352 2.585 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)c1 ZINC001602558746 1096298686 /nfs/dbraw/zinc/29/86/86/1096298686.db2.gz GQQGDEBYYBJYDM-UHFFFAOYSA-N -2 3 347.348 2.716 20 0 EFADHL CC(=Cc1cccc(Cl)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602905969 1096395916 /nfs/dbraw/zinc/39/59/16/1096395916.db2.gz JLHUTTPPFJOJLE-SOFGYWHQSA-N -2 3 328.763 2.885 20 0 EFADHL CC(=Cc1cccc(Cl)c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602905969 1096395921 /nfs/dbraw/zinc/39/59/21/1096395921.db2.gz JLHUTTPPFJOJLE-SOFGYWHQSA-N -2 3 328.763 2.885 20 0 EFADHL CC(=Cc1coc2ccccc12)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602906570 1096397996 /nfs/dbraw/zinc/39/79/96/1096397996.db2.gz OCQXSWBFEPEDIX-CLFYSBASSA-N -2 3 334.339 2.977 20 0 EFADHL CC(=Cc1coc2ccccc12)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602906570 1096398001 /nfs/dbraw/zinc/39/80/01/1096398001.db2.gz OCQXSWBFEPEDIX-CLFYSBASSA-N -2 3 334.339 2.977 20 0 EFADHL CC(=O)c1ccc(C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)cc1[O-] ZINC001603108193 1096443826 /nfs/dbraw/zinc/44/38/26/1096443826.db2.gz YMQMYSQZVFMIJL-UHFFFAOYSA-N -2 3 331.299 2.993 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)cc1[O-] ZINC001603108970 1096445211 /nfs/dbraw/zinc/44/52/11/1096445211.db2.gz QVLHPVCDYARLJV-INIZCTEOSA-N -2 3 341.363 2.931 20 0 EFADHL CC(C)C[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)C(=O)[O-] ZINC001603263727 1096487979 /nfs/dbraw/zinc/48/79/79/1096487979.db2.gz SRBCVOSYSQVEGL-LLVKDONJSA-N -2 3 340.387 2.574 20 0 EFADHL CC(C)C[C@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)C(=O)[O-] ZINC001603263727 1096487985 /nfs/dbraw/zinc/48/79/85/1096487985.db2.gz SRBCVOSYSQVEGL-LLVKDONJSA-N -2 3 340.387 2.574 20 0 EFADHL CC(C)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001603728572 1096604835 /nfs/dbraw/zinc/60/48/35/1096604835.db2.gz DRBJTPXGIFXRDZ-ZDUSSCGKSA-N -2 3 337.397 2.523 20 0 EFADHL CC(C)OC[C@@H](C(=O)[O-])N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC001603917257 1096669979 /nfs/dbraw/zinc/66/99/79/1096669979.db2.gz PWVHXJUGJAJRIM-LBPRGKRZSA-N -2 3 337.397 2.557 20 0 EFADHL C[C@](CC(=O)[O-])(NC(=O)c1c[n-]c2c(Cl)cccc2c1=O)C1CC1 ZINC001604088761 1096728363 /nfs/dbraw/zinc/72/83/63/1096728363.db2.gz ZIMIJVRCGZCAJJ-QGZVFWFLSA-N -2 3 348.786 2.555 20 0 EFADHL C[C@H](Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1)C(=O)[O-] ZINC001604223836 1096778014 /nfs/dbraw/zinc/77/80/14/1096778014.db2.gz DFXSPKCDFSEFFH-LLVKDONJSA-N -2 3 331.343 2.976 20 0 EFADHL CC(F)(F)C(=O)[N-][C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001604249801 1096786347 /nfs/dbraw/zinc/78/63/47/1096786347.db2.gz RMBDFIVSCPLYDC-NSHDSACASA-N -2 3 336.132 2.520 20 0 EFADHL CCc1cc(-c2nnn[n-]2)c(NC(=O)c2cccc(F)c2[O-])s1 ZINC001604510827 1096884419 /nfs/dbraw/zinc/88/44/19/1096884419.db2.gz WWWWZMGSLORCRE-UHFFFAOYSA-N -2 3 333.348 2.588 20 0 EFADHL CCc1cc(-c2nn[n-]n2)c(NC(=O)c2cccc(F)c2[O-])s1 ZINC001604510827 1096884426 /nfs/dbraw/zinc/88/44/26/1096884426.db2.gz WWWWZMGSLORCRE-UHFFFAOYSA-N -2 3 333.348 2.588 20 0 EFADHL CC1(C)CCC[C@](NC(=O)c2cc(=O)c3ccccc3[n-]2)(C(=O)[O-])C1 ZINC001604526699 1096892273 /nfs/dbraw/zinc/89/22/73/1096892273.db2.gz AFOSKZUEZVXOBR-LJQANCHMSA-N -2 3 342.395 2.682 20 0 EFADHL CC[C@](CNC(=O)c1c([O-])cccc1OC)(C(=O)[O-])c1ccccc1 ZINC001605035998 1097007365 /nfs/dbraw/zinc/00/73/65/1097007365.db2.gz XLKIGZNYDSWTNG-LJQANCHMSA-N -2 3 343.379 2.563 20 0 EFADHL CCO[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc(C(=O)[O-])c1)C1CC1 ZINC001605594051 1097166031 /nfs/dbraw/zinc/16/60/31/1097166031.db2.gz VHFOGLUFYXAYKN-CYBMUJFWSA-N -2 3 347.820 2.595 20 0 EFADHL CCO[C@@H]1C[C@](NC(=O)c2ccc(C(C)C)cc2[O-])(C(=O)[O-])C1(C)C ZINC001605607994 1097168930 /nfs/dbraw/zinc/16/89/30/1097168930.db2.gz OLPKJYQCOVWPGE-BEFAXECRSA-N -2 3 349.427 2.904 20 0 EFADHL Cc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc(-c2nnn[n-]2)c1 ZINC001605716810 1097205261 /nfs/dbraw/zinc/20/52/61/1097205261.db2.gz XHWRNQGSMPHZIC-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cc1cc(NC(=O)c2cc(F)c([O-])c(Cl)c2)cc(-c2nn[n-]n2)c1 ZINC001605716810 1097205263 /nfs/dbraw/zinc/20/52/63/1097205263.db2.gz XHWRNQGSMPHZIC-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL CCc1cccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c1[O-] ZINC001605825676 1097239982 /nfs/dbraw/zinc/23/99/82/1097239982.db2.gz BCKQCUREUFVJNQ-MRXNPFEDSA-N -2 3 325.364 2.779 20 0 EFADHL CN(C(=O)c1cc2sccc2c([O-])c1)[C@H](COC1CCC1)C(=O)[O-] ZINC001605979977 1097291585 /nfs/dbraw/zinc/29/15/85/1097291585.db2.gz DXUHXHSDFBEQGT-CYBMUJFWSA-N -2 3 349.408 2.701 20 0 EFADHL Cc1sc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nc1C(=O)[O-] ZINC001606183515 1097340219 /nfs/dbraw/zinc/34/02/19/1097340219.db2.gz VZSBGDVPTDAUDK-HYXAFXHYSA-N -2 3 331.332 2.639 20 0 EFADHL Cc1sc(C=Cc2ccc(F)c(-c3nn[n-]n3)c2)nc1C(=O)[O-] ZINC001606183515 1097340221 /nfs/dbraw/zinc/34/02/21/1097340221.db2.gz VZSBGDVPTDAUDK-HYXAFXHYSA-N -2 3 331.332 2.639 20 0 EFADHL Cc1cc(N(C)C)ncc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167935947 1097349999 /nfs/dbraw/zinc/34/99/99/1097349999.db2.gz FXZXAVIAWFCSDJ-UHFFFAOYSA-N -2 3 347.355 2.541 20 0 EFADHL COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)[O-])c3ccccc23)[n-]1 ZINC001606574224 1097421200 /nfs/dbraw/zinc/42/12/00/1097421200.db2.gz JHPYRRWCLBBPPX-UHFFFAOYSA-N -2 3 338.319 2.905 20 0 EFADHL O=C([O-])CCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001606958539 1097481526 /nfs/dbraw/zinc/48/15/26/1097481526.db2.gz XBZFXUNUDGNZLJ-UHFFFAOYSA-N -2 3 329.282 2.552 20 0 EFADHL O=C([O-])CCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001606958539 1097481530 /nfs/dbraw/zinc/48/15/30/1097481530.db2.gz XBZFXUNUDGNZLJ-UHFFFAOYSA-N -2 3 329.282 2.552 20 0 EFADHL O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1ccc([O-])c(Cl)c1 ZINC001606978873 1097487812 /nfs/dbraw/zinc/48/78/12/1097487812.db2.gz MIQLKABZYVAEDV-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1ccc([O-])c(Cl)c1 ZINC001606978873 1097487815 /nfs/dbraw/zinc/48/78/15/1097487815.db2.gz MIQLKABZYVAEDV-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL COc1ccc([C@H](NC(=O)c2cc([O-])ccc2Cl)C(=O)[O-])cc1 ZINC001607228468 1097566590 /nfs/dbraw/zinc/56/65/90/1097566590.db2.gz VJOMGZLKCJSLBV-AWEZNQCLSA-N -2 3 335.743 2.610 20 0 EFADHL COc1ccc([C@@H](NCc2nc(C)ccc2[O-])C(=O)[O-])cc1Cl ZINC001607233905 1097568416 /nfs/dbraw/zinc/56/84/16/1097568416.db2.gz BJDNUQHLIMVMHW-OAHLLOKOSA-N -2 3 336.775 2.673 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)c1 ZINC001607277170 1097582706 /nfs/dbraw/zinc/58/27/06/1097582706.db2.gz WSSAQZJHKUUVGV-VIFPVBQESA-N -2 3 349.314 2.644 20 0 EFADHL CSc1ccc([O-])c(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001607409417 1097622752 /nfs/dbraw/zinc/62/27/52/1097622752.db2.gz KRLFYDFQVOBDFS-ZDUSSCGKSA-N -2 3 349.330 2.593 20 0 EFADHL C[C@H]1CN(C(=O)c2cc([O-])cc(C(F)(F)F)c2)C[C@]1(C)C(=O)[O-] ZINC001607475112 1097635613 /nfs/dbraw/zinc/63/56/13/1097635613.db2.gz TXBDCPYXBBHFKZ-RTHLEPHNSA-N -2 3 331.290 2.594 20 0 EFADHL Cc1[nH]c(C(=O)COC(=O)c2cc3ccsc3[n-]2)c(C)c1C(=O)[O-] ZINC001607486623 1097639271 /nfs/dbraw/zinc/63/92/71/1097639271.db2.gz KKUNLAPIEBBOFN-UHFFFAOYSA-N -2 3 346.364 2.912 20 0 EFADHL Cc1c(C(=O)[O-])ccc(Cl)c1[N-]S(=O)(=O)c1cncc(F)c1 ZINC001607519395 1097649693 /nfs/dbraw/zinc/64/96/93/1097649693.db2.gz YHXALKZCTNEJBG-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL Cc1c(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)oc2ccccc12 ZINC001607528797 1097652710 /nfs/dbraw/zinc/65/27/10/1097652710.db2.gz YCESRCJFRROPAN-UHFFFAOYSA-N -2 3 335.337 2.511 20 0 EFADHL Cc1cc(=O)[n-]c(C(C)(C)NCc2cccc(C(=O)[O-])c2Cl)n1 ZINC001607560916 1097660730 /nfs/dbraw/zinc/66/07/30/1097660730.db2.gz PRZZOWRHIPVBPG-UHFFFAOYSA-N -2 3 335.791 2.867 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])s2)cc1F ZINC001607661478 1097692969 /nfs/dbraw/zinc/69/29/69/1097692969.db2.gz FKTFUFWQQHIPJA-UHFFFAOYSA-N -2 3 347.364 2.511 20 0 EFADHL Cc1ccccc1CS(=O)(=O)[N-]c1cc(C)c(C(=O)[O-])c(C)n1 ZINC001607883704 1097766425 /nfs/dbraw/zinc/76/64/25/1097766425.db2.gz XSBKRJBEXKFKDP-UHFFFAOYSA-N -2 3 334.397 2.647 20 0 EFADHL Cc1n[n-]c(C)c1S(=O)(=O)Oc1cc2ccccc2cc1C(=O)[O-] ZINC001607936438 1097782955 /nfs/dbraw/zinc/78/29/55/1097782955.db2.gz HCEHMMQLWJWODT-UHFFFAOYSA-N -2 3 346.364 2.646 20 0 EFADHL Cc1nc(-c2ccccc2)sc1C(=O)[N-]c1nc(C(=O)[O-])ns1 ZINC001607942609 1097783425 /nfs/dbraw/zinc/78/34/25/1097783425.db2.gz WKDOWIAYVLAQQD-UHFFFAOYSA-N -2 3 346.393 2.921 20 0 EFADHL O=C([O-])[C@@H](CC1CC1)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001608391925 1097910169 /nfs/dbraw/zinc/91/01/69/1097910169.db2.gz AHXUCJZDXQZUDL-QGZVFWFLSA-N -2 3 339.391 2.966 20 0 EFADHL O=C([O-])[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)CC1CCCC1 ZINC001608421097 1097917129 /nfs/dbraw/zinc/91/71/29/1097917129.db2.gz ITSNSVPOJBNRNQ-ZDUSSCGKSA-N -2 3 342.395 2.539 20 0 EFADHL O=C([O-])c1sc([N-]C(=O)c2ocnc2C(F)F)nc1C1CC1 ZINC001608524401 1097940514 /nfs/dbraw/zinc/94/05/14/1097940514.db2.gz NTRYGCUITFSNFQ-UHFFFAOYSA-N -2 3 329.284 2.897 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CCC[C@H]32)c(F)cc1Cl ZINC001608860519 1098047454 /nfs/dbraw/zinc/04/74/54/1098047454.db2.gz OZEDFXVIVZLYOX-DNSOKLHBSA-N -2 3 347.795 2.644 20 0 EFADHL O=C([O-])c1cccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)c1 ZINC001608935291 1098081357 /nfs/dbraw/zinc/08/13/57/1098081357.db2.gz WUOGGIKCYOBDNL-UHFFFAOYSA-N -2 3 344.273 2.757 20 0 EFADHL O=C([O-])c1cncc(CN2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC001608980857 1098097134 /nfs/dbraw/zinc/09/71/34/1098097134.db2.gz SUFMVSIFUZJKTQ-UHFFFAOYSA-N -2 3 340.379 2.858 20 0 EFADHL O=C([O-])C12CC(C1)CN2C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001609027423 1098117185 /nfs/dbraw/zinc/11/71/85/1098117185.db2.gz UGDREJNQPZYSIZ-UHFFFAOYSA-N -2 3 337.375 2.672 20 0 EFADHL CC(=Cc1cc(F)c(F)cc1F)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060293 1098125759 /nfs/dbraw/zinc/12/57/59/1098125759.db2.gz HNZVCRPRGYEUQM-ZZXKWVIFSA-N -2 3 348.288 2.649 20 0 EFADHL CC(=Cc1cc(F)c(F)cc1F)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060293 1098125763 /nfs/dbraw/zinc/12/57/63/1098125763.db2.gz HNZVCRPRGYEUQM-ZZXKWVIFSA-N -2 3 348.288 2.649 20 0 EFADHL Cc1sc(C=Cc2ccc(-c3nnn[n-]3)c(C)c2)nc1C(=O)[O-] ZINC001609400032 1098289422 /nfs/dbraw/zinc/28/94/22/1098289422.db2.gz ZXMMOFYJRDRRTE-GQCTYLIASA-N -2 3 327.369 2.809 20 0 EFADHL Cc1sc(C=Cc2ccc(-c3nn[n-]n3)c(C)c2)nc1C(=O)[O-] ZINC001609400032 1098289425 /nfs/dbraw/zinc/28/94/25/1098289425.db2.gz ZXMMOFYJRDRRTE-GQCTYLIASA-N -2 3 327.369 2.809 20 0 EFADHL Cc1ccc(C(=O)Nc2cc(Cl)c([O-])cc2F)cc1-c1nn[n-]n1 ZINC001609419493 1098305806 /nfs/dbraw/zinc/30/58/06/1098305806.db2.gz KOWNWNJAHSGYDB-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1-c1nnn[n-]1 ZINC001609424193 1098309917 /nfs/dbraw/zinc/30/99/17/1098309917.db2.gz TYXRQRBIRQYTJW-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609424193 1098309923 /nfs/dbraw/zinc/30/99/23/1098309923.db2.gz TYXRQRBIRQYTJW-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cc(F)c(F)cc2F)n1 ZINC001609571815 1098383982 /nfs/dbraw/zinc/38/39/82/1098383982.db2.gz DEEWSYGTHZACBP-IWQZZHSRSA-N -2 3 347.256 2.548 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cc(F)c(F)cc2F)n1 ZINC001609571815 1098383986 /nfs/dbraw/zinc/38/39/86/1098383986.db2.gz DEEWSYGTHZACBP-IWQZZHSRSA-N -2 3 347.256 2.548 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cscc2Cl)n1 ZINC001609572445 1098385334 /nfs/dbraw/zinc/38/53/34/1098385334.db2.gz XZKTYHISHUBPTA-IWQZZHSRSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cscc2Cl)n1 ZINC001609572445 1098385339 /nfs/dbraw/zinc/38/53/39/1098385339.db2.gz XZKTYHISHUBPTA-IWQZZHSRSA-N -2 3 333.760 2.845 20 0 EFADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCCC1 ZINC001609825355 1098469743 /nfs/dbraw/zinc/46/97/43/1098469743.db2.gz UTVJAJILAKRNDZ-UHFFFAOYSA-N -2 3 335.784 2.788 20 0 EFADHL CCc1cccc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1[O-] ZINC001610064868 1098536215 /nfs/dbraw/zinc/53/62/15/1098536215.db2.gz GOXFPMABYJUVFX-HXUWFJFHSA-N -2 3 339.391 2.823 20 0 EFADHL COc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1C(=O)[O-] ZINC001610304050 1098611637 /nfs/dbraw/zinc/61/16/37/1098611637.db2.gz KYTJUUUDLHKCFL-UHFFFAOYSA-N -2 3 343.261 2.520 20 0 EFADHL COc1cccc2c(C(=O)OCc3cccc(C(=O)[O-])c3)n[n-]c21 ZINC001610359573 1098640186 /nfs/dbraw/zinc/64/01/86/1098640186.db2.gz CLDFLZFVYLHRTO-UHFFFAOYSA-N -2 3 326.308 2.627 20 0 EFADHL COc1cccc2c(C(=O)OCc3cccc(C(=O)[O-])c3)[n-]nc21 ZINC001610359573 1098640192 /nfs/dbraw/zinc/64/01/92/1098640192.db2.gz CLDFLZFVYLHRTO-UHFFFAOYSA-N -2 3 326.308 2.627 20 0 EFADHL Cc1c([O-])ccc2c(CSc3nc(C(=O)[O-])c[nH]3)cc(=O)oc12 ZINC001610427509 1098672433 /nfs/dbraw/zinc/67/24/33/1098672433.db2.gz XGKKXHJKFCIGIS-UHFFFAOYSA-N -2 3 332.337 2.521 20 0 EFADHL Cc1cc2cc([N-]S(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)ccc2[nH]1 ZINC001610479106 1098700241 /nfs/dbraw/zinc/70/02/41/1098700241.db2.gz OHOXIMKSYYHSTB-UHFFFAOYSA-N -2 3 346.364 2.681 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c(C(=O)[O-])c1 ZINC001610513221 1098724513 /nfs/dbraw/zinc/72/45/13/1098724513.db2.gz JGBSRUJJHAZPSI-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2N(C)C)c(C)c1 ZINC001610513793 1098724858 /nfs/dbraw/zinc/72/48/58/1098724858.db2.gz VWTAJWTZYSQBCQ-UHFFFAOYSA-N -2 3 348.424 2.868 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1F ZINC001610523796 1098730430 /nfs/dbraw/zinc/73/04/30/1098730430.db2.gz FQMNBJXALZHDAI-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1ccccc1C(F)(F)C(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-] ZINC001610531549 1098736481 /nfs/dbraw/zinc/73/64/81/1098736481.db2.gz PTMIFOBGGPANDC-SECBINFHSA-N -2 3 325.233 2.609 20 0 EFADHL Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(F)cc3C(=O)[O-])ccc12 ZINC001610549750 1098746115 /nfs/dbraw/zinc/74/61/15/1098746115.db2.gz VCRGGAGXXSCQLG-UHFFFAOYSA-N -2 3 349.343 2.509 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001610586463 1098770707 /nfs/dbraw/zinc/77/07/07/1098770707.db2.gz GZZLOJGPWVXASW-SECBINFHSA-N -2 3 341.360 2.507 20 0 EFADHL Cc1sc2[n-]c([C@@H](C)OC(=O)CCCC(=O)[O-])nc(=O)c2c1C ZINC001610593501 1098774603 /nfs/dbraw/zinc/77/46/03/1098774603.db2.gz UQXBQGPGDJRBEB-MRVPVSSYSA-N -2 3 338.385 2.873 20 0 EFADHL O=C([O-])C1(CS(=O)(=O)[N-]c2cc(Cl)ccc2[O-])CCCCC1 ZINC001610728848 1098854175 /nfs/dbraw/zinc/85/41/75/1098854175.db2.gz YVSHVQGUYPGKAA-UHFFFAOYSA-N -3 3 347.820 2.822 20 0 EFADHL O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1C(=O)c1ccc(O)cc1[O-] ZINC001610802162 1098899845 /nfs/dbraw/zinc/89/98/45/1098899845.db2.gz GZYZXTANZXBKKB-GJZGRUSLSA-N -2 3 327.336 2.528 20 0 EFADHL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC001610807503 1098902154 /nfs/dbraw/zinc/90/21/54/1098902154.db2.gz WWUJHHZYOQRFLW-SECBINFHSA-N -2 3 339.747 2.504 20 0 EFADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC001610833232 1098923623 /nfs/dbraw/zinc/92/36/23/1098923623.db2.gz RWKYCUHRHOQUIZ-JTQLQIEISA-N -2 3 339.747 2.504 20 0 EFADHL O=C([O-])c1cccc(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1Cl ZINC001610845985 1098932530 /nfs/dbraw/zinc/93/25/30/1098932530.db2.gz LXKOCBQAPBGOGJ-SNVBAGLBSA-N -2 3 337.763 2.506 20 0 EFADHL CCOC(=O)c1cnc(NC(=O)c2cc3sccc3c([O-])c2)[n-]1 ZINC001642162900 1101194424 /nfs/dbraw/zinc/19/44/24/1101194424.db2.gz OKVTTZYPVQCHRB-UHFFFAOYSA-N -2 3 331.353 2.759 20 0 EFADHL CC(=O)[N-]S(=O)(=O)c1ccc(Nc2cccc([O-])c2Cl)cc1 ZINC001210855454 1102909383 /nfs/dbraw/zinc/90/93/83/1102909383.db2.gz OGYBNAZJDCRVQY-UHFFFAOYSA-N -2 3 340.788 2.614 20 0 EFADHL Cc1nc(C=Cc2ccc3c(c2)CCCO3)[n-]c(=O)c1CC(=O)[O-] ZINC000899372775 1109303356 /nfs/dbraw/zinc/30/33/56/1109303356.db2.gz PCHYBDYMSOYFJB-ALCCZGGFSA-N -2 3 326.352 2.613 20 0 EFADHL C[C@H](OCCP(=O)([O-])[O-])c1ccc(F)c(Br)c1 ZINC001224602191 1109947431 /nfs/dbraw/zinc/94/74/31/1109947431.db2.gz OWHFVWQCHZBNBV-ZETCQYMHSA-N -2 3 327.086 2.844 20 0 EFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]CC2CCC2)c1 ZINC000184937158 1119636655 /nfs/dbraw/zinc/63/66/55/1119636655.db2.gz GHTFWQOJSIOWHS-UHFFFAOYSA-N -2 3 338.212 2.770 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCCC1 ZINC000038036708 202090970 /nfs/dbraw/zinc/09/09/70/202090970.db2.gz GZPSRYATMDECSE-NSHDSACASA-N -2 3 337.850 2.713 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)cc1C(=O)[O-] ZINC000071837528 202355361 /nfs/dbraw/zinc/35/53/61/202355361.db2.gz AEIQWJACMBYASD-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2CCC(C(=O)[O-])CC2)sc1Cl ZINC000231806664 201047820 /nfs/dbraw/zinc/04/78/20/201047820.db2.gz OMJAQNYGZUNZSD-UHFFFAOYSA-N -2 3 337.850 2.632 20 0 EFADHL CCCC[C@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000261755521 201198507 /nfs/dbraw/zinc/19/85/07/201198507.db2.gz UIVVGVORZAELHO-JTQLQIEISA-N -2 3 339.335 2.627 20 0 EFADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000275038409 201275956 /nfs/dbraw/zinc/27/59/56/201275956.db2.gz VDQGLLOJQCNTSO-SECBINFHSA-N -2 3 339.335 2.627 20 0 EFADHL COc1cccc(Cl)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000195503264 240227352 /nfs/dbraw/zinc/22/73/52/240227352.db2.gz KRSZTHWKZWGNQB-SOFGYWHQSA-N -2 3 348.786 2.928 20 0 EFADHL CSc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433808551 248091098 /nfs/dbraw/zinc/09/10/98/248091098.db2.gz PUTRQMBRLCHDBE-UHFFFAOYSA-N -3 3 339.394 2.613 20 0 EFADHL COCc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)cc1 ZINC000443439669 250194476 /nfs/dbraw/zinc/19/44/76/250194476.db2.gz HOOCFYKKMNEKAW-CLFYSBASSA-N -2 3 328.368 2.825 20 0 EFADHL Cc1nc(C=Cc2c(F)ccc([O-])c2F)[n-]c(=O)c1CCC(=O)[O-] ZINC000443446084 250195687 /nfs/dbraw/zinc/19/56/87/250195687.db2.gz LFLIKNBUSFQPQL-QHHAFSJGSA-N -3 3 336.294 2.662 20 0 EFADHL O=S(=O)(C[C@H]1CCCO1)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000175025333 207085054 /nfs/dbraw/zinc/08/50/54/207085054.db2.gz LSGVVETYJBVGES-MRXNPFEDSA-N -2 3 347.436 2.904 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000013042144 207276197 /nfs/dbraw/zinc/27/61/97/207276197.db2.gz ACQFPWYTMJZKKO-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL COc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000346011138 142132842 /nfs/dbraw/zinc/13/28/42/142132842.db2.gz GWQSMCPYEXFVFQ-BZNIZROVSA-N -2 3 329.352 2.593 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2SC)c1 ZINC000342613314 145159756 /nfs/dbraw/zinc/15/97/56/145159756.db2.gz HNTLXEISPAZODW-UHFFFAOYSA-N -2 3 325.411 2.924 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C(C)=O)c(C)c2)c1 ZINC000342756958 145186127 /nfs/dbraw/zinc/18/61/27/145186127.db2.gz LPPCZOUPCMVUBC-UHFFFAOYSA-N -2 3 335.381 2.713 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000342776263 145189544 /nfs/dbraw/zinc/18/95/44/145189544.db2.gz GQMQIHPQDBKPSF-UHFFFAOYSA-N -2 3 333.287 2.619 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3cnco3)c2)c1 ZINC000342783903 145192542 /nfs/dbraw/zinc/19/25/42/145192542.db2.gz QGZACZBCXYMKNH-UHFFFAOYSA-N -2 3 346.364 2.857 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2O)c1 ZINC000342788470 145192993 /nfs/dbraw/zinc/19/29/93/145192993.db2.gz YJAUKKXQABBBCU-UHFFFAOYSA-N -2 3 329.761 2.561 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2c(F)ccc([O-])c2F)c([O-])c1 ZINC000343863259 145311740 /nfs/dbraw/zinc/31/17/40/145311740.db2.gz PHJGZYXQCIKKLN-UHFFFAOYSA-N -2 3 337.278 2.805 20 0 EFADHL COc1cc(F)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)cc1F ZINC000344016648 145346994 /nfs/dbraw/zinc/34/69/94/145346994.db2.gz PGGSFPPVZSUKDM-UHFFFAOYSA-N -2 3 349.336 2.534 20 0 EFADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000348880562 146018844 /nfs/dbraw/zinc/01/88/44/146018844.db2.gz OLMINAWTXPAPKT-UHFFFAOYSA-N -2 3 331.715 2.641 20 0 EFADHL Cc1nc(C=Cc2nc(-c3ccccc3)c[nH]2)[n-]c(=O)c1CC(=O)[O-] ZINC000349102799 146053080 /nfs/dbraw/zinc/05/30/80/146053080.db2.gz BGDWINIPQZTZEL-FPLPWBNLSA-N -2 3 336.351 2.678 20 0 EFADHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1c[n-]nc1-c1ccccc1 ZINC000355795974 147066839 /nfs/dbraw/zinc/06/68/39/147066839.db2.gz INMDGPCXXWKJLZ-UHFFFAOYSA-N -2 3 346.350 2.820 20 0 EFADHL COc1ccc(F)cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000359163058 148012225 /nfs/dbraw/zinc/01/22/25/148012225.db2.gz NLUMOSHLUJYMEF-CLTKARDFSA-N -2 3 332.331 2.826 20 0 EFADHL Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360525298 148382574 /nfs/dbraw/zinc/38/25/74/148382574.db2.gz NSUZBCXCQAXCCT-UHFFFAOYSA-N -3 3 341.772 2.853 20 0 EFADHL CC(=O)c1ccc(C(=O)[N-]c2n[n-]c(-c3c(F)cccc3F)n2)o1 ZINC000373184185 151129665 /nfs/dbraw/zinc/12/96/65/151129665.db2.gz VKZFVBJFTJQHIO-UHFFFAOYSA-N -2 3 332.266 2.798 20 0 EFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000136257579 544693009 /nfs/dbraw/zinc/69/30/09/544693009.db2.gz PTYIEQMTLBCZDC-SNVBAGLBSA-N -2 3 340.228 2.771 20 0 EFADHL O=C(C=Cc1ccccc1[N+](=O)[O-])[N-]N=c1cnc2ccccc2[n-]1 ZINC000163427746 544834919 /nfs/dbraw/zinc/83/49/19/544834919.db2.gz ZOQDLACYEDGVQB-MDZDMXLPSA-N -2 3 335.323 2.695 20 0 EFADHL O=C(C=Cc1cnc2ccccc2n1)[N-]N=c1cnc2ccccc2[n-]1 ZINC000163464024 544836220 /nfs/dbraw/zinc/83/62/20/544836220.db2.gz YBNDOYFCPOAZHQ-MDZDMXLPSA-N -2 3 342.362 2.730 20 0 EFADHL CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000273746412 266547029 /nfs/dbraw/zinc/54/70/29/266547029.db2.gz PIBWGXIKQYMEQC-WDEREUQCSA-N -2 3 349.499 2.789 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C ZINC000278258035 267381828 /nfs/dbraw/zinc/38/18/28/267381828.db2.gz NKJVCGVWRGYQPN-LBPRGKRZSA-N -2 3 349.836 2.516 20 0 EFADHL COc1cccc(OC)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000279514224 273223335 /nfs/dbraw/zinc/22/33/35/273223335.db2.gz RYNOOHULXZQJMV-VQHVLOKHSA-N -2 3 344.367 2.695 20 0 EFADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000281910324 273486215 /nfs/dbraw/zinc/48/62/15/273486215.db2.gz ZXWNAPFLECEQAY-LBPRGKRZSA-N -2 3 331.409 2.775 20 0 EFADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)ccc2O1 ZINC000361998097 281371237 /nfs/dbraw/zinc/37/12/37/281371237.db2.gz BFACHTNSUVCTMX-UHFFFAOYSA-N -2 3 347.392 2.899 20 0 EFADHL COc1cc2nc(-c3ccc([O-])c(Cl)c3)[n-]c(=O)c2cc1OC ZINC000119730987 292913473 /nfs/dbraw/zinc/91/34/73/292913473.db2.gz FNDOFQKRIIOXJT-UHFFFAOYSA-N -2 3 332.743 2.966 20 0 EFADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000290931616 294223417 /nfs/dbraw/zinc/22/34/17/294223417.db2.gz JEVSNASZKDKWNY-ZETCQYMHSA-N -2 3 345.364 2.689 20 0 EFADHL CC[C@@H](C)CO[N-]C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000293821780 295057192 /nfs/dbraw/zinc/05/71/92/295057192.db2.gz VCUOCWXYHBQNEY-GFCCVEGCSA-N -2 3 344.415 2.579 20 0 EFADHL Cc1noc([N-]C(=O)c2nn(-c3cccc(C(C)C)c3)cc2[O-])n1 ZINC000176275730 310771989 /nfs/dbraw/zinc/77/19/89/310771989.db2.gz FXTJHBQVTLFEHO-UHFFFAOYSA-N -2 3 327.344 2.645 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)C1=CCCC1 ZINC000308770343 311228180 /nfs/dbraw/zinc/22/81/80/311228180.db2.gz UDUKLTXPKXOIGG-UHFFFAOYSA-N -2 3 329.443 2.861 20 0 EFADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000309730496 311228461 /nfs/dbraw/zinc/22/84/61/311228461.db2.gz ROMLDJMNKSIFDM-CABZTGNLSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c1F ZINC000313221689 311231365 /nfs/dbraw/zinc/23/13/65/311231365.db2.gz QARODSSNOCDDNH-NSHDSACASA-N -2 3 331.409 2.692 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000314448437 311233304 /nfs/dbraw/zinc/23/33/04/311233304.db2.gz CVZKTRDABOGCBW-UHFFFAOYSA-N -2 3 327.308 2.605 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)[O-])cc1 ZINC000322015439 311239215 /nfs/dbraw/zinc/23/92/15/311239215.db2.gz BPEATUSBZFICTO-UHFFFAOYSA-N -2 3 335.381 2.757 20 0 EFADHL O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000323948694 311240779 /nfs/dbraw/zinc/24/07/79/311240779.db2.gz WFONOCKEJBUHMT-CYBMUJFWSA-N -2 3 347.383 2.667 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c(F)c1 ZINC000404960453 311974001 /nfs/dbraw/zinc/97/40/01/311974001.db2.gz BBKVXPTUSUVIHJ-UHFFFAOYSA-N -2 3 331.409 2.694 20 0 EFADHL O=C(NCCCN=c1nc(C2CCCC2)[n-]s1)c1cccc([O-])c1 ZINC000420584852 312373812 /nfs/dbraw/zinc/37/38/12/312373812.db2.gz MZUZYUCOUIGSBJ-UHFFFAOYSA-N -2 3 346.456 2.555 20 0 EFADHL O=C(/C=C\c1cncc([O-])c1)Nc1ccc(Br)cc1[O-] ZINC000492472316 314002553 /nfs/dbraw/zinc/00/25/53/314002553.db2.gz JVXCMZFEAVECII-RJRFIUFISA-N -2 3 335.157 2.907 20 0 EFADHL Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000515643352 315632028 /nfs/dbraw/zinc/63/20/28/315632028.db2.gz ODXDRWGDHAOPBU-GFCCVEGCSA-N -2 3 337.397 2.504 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)Cc1ccccc1 ZINC000521432112 316023280 /nfs/dbraw/zinc/02/32/80/316023280.db2.gz MTDVQZIQEPDPQP-UHFFFAOYSA-N -2 3 337.397 2.525 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1C(=O)[O-] ZINC000532279210 317379105 /nfs/dbraw/zinc/37/91/05/317379105.db2.gz KLHPFWHSOPVQNK-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])cc1 ZINC000532648566 317425337 /nfs/dbraw/zinc/42/53/37/317425337.db2.gz ASGUJEDTYXHJJN-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL Cc1cc(CS(=O)(=O)[N-]c2ccc([C@H](C)CC(=O)[O-])cc2)on1 ZINC000547616332 318022049 /nfs/dbraw/zinc/02/20/49/318022049.db2.gz USIZOSNDISIIRV-SNVBAGLBSA-N -2 3 338.385 2.503 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccs1 ZINC000547869533 318050458 /nfs/dbraw/zinc/05/04/58/318050458.db2.gz LOBCSWPHLWGTOP-SNVBAGLBSA-N -2 3 349.792 2.645 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000547872257 318050495 /nfs/dbraw/zinc/05/04/95/318050495.db2.gz YUDNQQHZVOVFIM-SECBINFHSA-N -2 3 333.818 2.696 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c(F)cc1F ZINC000547886807 318051374 /nfs/dbraw/zinc/05/13/74/318051374.db2.gz IEIPYMOZZCMQJS-SNVBAGLBSA-N -2 3 335.372 2.585 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])cc1F ZINC000547887841 318051413 /nfs/dbraw/zinc/05/14/13/318051413.db2.gz AXYXWNOUAZRKIS-ZFWWWQNUSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](C)CCC(=O)[O-] ZINC000547901431 318052188 /nfs/dbraw/zinc/05/21/88/318052188.db2.gz ZYOPJEQPXUTXKD-VIFPVBQESA-N -2 3 343.376 2.660 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-] ZINC000547938957 318053760 /nfs/dbraw/zinc/05/37/60/318053760.db2.gz QKIQSSDEQMDPJX-UHFFFAOYSA-N -2 3 331.409 2.694 20 0 EFADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000547940273 318054320 /nfs/dbraw/zinc/05/43/20/318054320.db2.gz VJVVFUROWVWULB-NOZJJQNGSA-N -2 3 335.372 2.523 20 0 EFADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000547939959 318054336 /nfs/dbraw/zinc/05/43/36/318054336.db2.gz QHNUYGSAJJICKC-CABZTGNLSA-N -2 3 335.372 2.523 20 0 EFADHL CC1([C@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C(=O)[O-])CCCCC1 ZINC000548029630 318065517 /nfs/dbraw/zinc/06/55/17/318065517.db2.gz FWZNKWXZACMCKJ-CYBMUJFWSA-N -2 3 347.383 2.667 20 0 EFADHL CC1([C@@H]([N-]S(=O)(=O)c2cc(F)cc(F)c2)C(=O)[O-])CCCCC1 ZINC000548029631 318065524 /nfs/dbraw/zinc/06/55/24/318065524.db2.gz FWZNKWXZACMCKJ-ZDUSSCGKSA-N -2 3 347.383 2.667 20 0 EFADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c1 ZINC000548239699 318086101 /nfs/dbraw/zinc/08/61/01/318086101.db2.gz PNSLDNLSXVNWEJ-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000548260893 318086976 /nfs/dbraw/zinc/08/69/76/318086976.db2.gz VWHUVHWPJCHCBE-PWSUYJOCSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])C(C)C ZINC000548268513 318087718 /nfs/dbraw/zinc/08/77/18/318087718.db2.gz DYWWTSZTSSVOQZ-GFCCVEGCSA-N -2 3 343.376 2.515 20 0 EFADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1c(C)cccc1F)C(=O)[O-] ZINC000548592474 318121255 /nfs/dbraw/zinc/12/12/55/318121255.db2.gz HEXIGSQUNIJJKM-MFKMUULPSA-N -2 3 331.409 2.692 20 0 EFADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000548592001 318121433 /nfs/dbraw/zinc/12/14/33/318121433.db2.gz MTRUPLFCHTZZBQ-ZWNOBZJWSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)cc1F ZINC000548590570 318121443 /nfs/dbraw/zinc/12/14/43/318121443.db2.gz ZWWMMOMDOHRLOF-SNVBAGLBSA-N -2 3 349.399 2.831 20 0 EFADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000548596212 318121677 /nfs/dbraw/zinc/12/16/77/318121677.db2.gz GXFBXTDNVPHANR-YPMHNXCESA-N -2 3 347.383 2.667 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCC(C)CC2)cc1F ZINC000548837581 318148967 /nfs/dbraw/zinc/14/89/67/318148967.db2.gz CIILGSCXJIIQDX-UHFFFAOYSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)C2CC2)c(Cl)cc1F ZINC000548981884 318159926 /nfs/dbraw/zinc/15/99/26/318159926.db2.gz QAISGAOKRVNIPW-OQPBUACISA-N -2 3 349.811 2.565 20 0 EFADHL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000551596016 318210690 /nfs/dbraw/zinc/21/06/90/318210690.db2.gz BMSGAGYYIRCQHZ-OAHLLOKOSA-N -2 3 349.399 2.913 20 0 EFADHL Cc1nc(C)c(S(=O)(=O)[N-][C@](C)(CCC(C)(C)C)C(=O)[O-])s1 ZINC000556415925 318389863 /nfs/dbraw/zinc/38/98/63/318389863.db2.gz UTVZBXYCAFCQLA-CQSZACIVSA-N -2 3 348.490 2.708 20 0 EFADHL Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000566175902 319043834 /nfs/dbraw/zinc/04/38/34/319043834.db2.gz HLPJELCHPMWQOE-UHFFFAOYSA-N -2 3 337.397 2.586 20 0 EFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000567382611 319166773 /nfs/dbraw/zinc/16/67/73/319166773.db2.gz NTOOVYDDRLGIMB-CQSZACIVSA-N -2 3 337.397 2.696 20 0 EFADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000567674428 319195102 /nfs/dbraw/zinc/19/51/02/319195102.db2.gz XFEKTGNSUQLFPA-LLVKDONJSA-N -2 3 349.399 2.914 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C3CC3)C2)cc1C(=O)[O-] ZINC000567793836 319212373 /nfs/dbraw/zinc/21/23/73/319212373.db2.gz HPQDFRIZIUVGAB-NWDGAFQWSA-N -2 3 327.402 2.533 20 0 EFADHL C[C@@H]1CC[C@H](C(=O)[O-])CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000569241480 319362171 /nfs/dbraw/zinc/36/21/71/319362171.db2.gz VQVKEGGLOGGGGX-MNOVXSKESA-N -2 3 341.367 2.767 20 0 EFADHL Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)s1 ZINC000569572221 319393308 /nfs/dbraw/zinc/39/33/08/319393308.db2.gz XMQLRXTZFYJOBP-QMMMGPOBSA-N -2 3 343.426 2.566 20 0 EFADHL Cc1nc(C=Cc2ccnn2C2CCCC2)[n-]c(=O)c1CCC(=O)[O-] ZINC000570368551 319469642 /nfs/dbraw/zinc/46/96/42/319469642.db2.gz QAQDWLYYRIDOEX-VURMDHGXSA-N -2 3 342.399 2.990 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)c1 ZINC000573087326 319732423 /nfs/dbraw/zinc/73/24/23/319732423.db2.gz BUZVGDDJBWRQNR-OAHLLOKOSA-N -2 3 335.381 2.798 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)[C@@H](C)C(=O)[O-] ZINC000575333951 319940901 /nfs/dbraw/zinc/94/09/01/319940901.db2.gz IGRUDYJAWJQLHS-VXNVDRBHSA-N -2 3 345.804 2.782 20 0 EFADHL CC(C)[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000575745595 319949705 /nfs/dbraw/zinc/94/97/05/319949705.db2.gz LSZUYQWHGLKDTN-GFCCVEGCSA-N -2 3 340.426 2.517 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000575764594 319952045 /nfs/dbraw/zinc/95/20/45/319952045.db2.gz GSZZVISZSLCOFT-RYUDHWBXSA-N -2 3 331.459 2.758 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000577105464 320077902 /nfs/dbraw/zinc/07/79/02/320077902.db2.gz JDRJFXHSILKVPY-HNNXBMFYSA-N -2 3 335.381 2.716 20 0 EFADHL CCC[C@@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000577315425 320098234 /nfs/dbraw/zinc/09/82/34/320098234.db2.gz SRJVXYQYFSTTRT-ZETCQYMHSA-N -2 3 345.364 2.546 20 0 EFADHL C[C@@H]1OCC[C@H]1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1C(=O)[O-] ZINC000577388903 320106720 /nfs/dbraw/zinc/10/67/20/320106720.db2.gz RULMIWGPLLLPEZ-IINYFYTJSA-N -2 3 341.429 2.601 20 0 EFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000577583690 320123106 /nfs/dbraw/zinc/12/31/06/320123106.db2.gz FAFAJAIPDHFTRM-ZDUSSCGKSA-N -2 3 339.388 2.757 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C(C)C ZINC000578197482 320182667 /nfs/dbraw/zinc/18/26/67/320182667.db2.gz LZTASPRRSXSFTR-UHFFFAOYSA-N -2 3 349.836 2.760 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])c1 ZINC000578318248 320194479 /nfs/dbraw/zinc/19/44/79/320194479.db2.gz KSIVUGUBKPLCRB-GXTWGEPZSA-N -2 3 343.420 2.836 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000578318250 320194635 /nfs/dbraw/zinc/19/46/35/320194635.db2.gz KSIVUGUBKPLCRB-OCCSQVGLSA-N -2 3 343.420 2.836 20 0 EFADHL C[C@H]1CCC[C@]([N-]S(=O)(=O)c2ccc(Cl)cc2F)(C(=O)[O-])C1 ZINC000385787092 323758482 /nfs/dbraw/zinc/75/84/82/323758482.db2.gz MWEUMWDFKOTZQL-LKFCYVNXSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1ccccc1C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000386660845 323763262 /nfs/dbraw/zinc/76/32/62/323763262.db2.gz FSLKTAVFPLBTRK-LLVKDONJSA-N -2 3 339.438 2.664 20 0 EFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000389344315 323771408 /nfs/dbraw/zinc/77/14/08/323771408.db2.gz JUTVBKSQEMMIOL-JSGCOSHPSA-N -2 3 349.811 2.791 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C1CCC1 ZINC000399206216 323795619 /nfs/dbraw/zinc/79/56/19/323795619.db2.gz NJEWVGHUYSVQMX-NSHDSACASA-N -2 3 338.212 2.525 20 0 EFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000399432531 323795909 /nfs/dbraw/zinc/79/59/09/323795909.db2.gz INXOCMJQRVZYON-LDYMZIIASA-N -2 3 337.800 2.503 20 0 EFADHL CCc1cc(=O)[n-]c(CN2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC000580097574 324098839 /nfs/dbraw/zinc/09/88/39/324098839.db2.gz RXKDVDJGOIDEJI-HIFRSBDPSA-N -2 3 333.432 2.600 20 0 EFADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000580868637 324253288 /nfs/dbraw/zinc/25/32/88/324253288.db2.gz YBVBIKCYZYPTHV-UONOGXRCSA-N -2 3 347.383 2.667 20 0 EFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000581710611 324441790 /nfs/dbraw/zinc/44/17/90/324441790.db2.gz LLMNZNIENCKYJO-AWEZNQCLSA-N -2 3 339.388 2.757 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1 ZINC000581724369 324446363 /nfs/dbraw/zinc/44/63/63/324446363.db2.gz ZEVVLMSTOAZQNU-DMDPSCGWSA-N -2 3 327.402 2.615 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C(C)(C)CC(=O)[O-] ZINC000582098347 324517336 /nfs/dbraw/zinc/51/73/36/324517336.db2.gz DAXJLQMKDVQEQL-UHFFFAOYSA-N -2 3 345.804 2.926 20 0 EFADHL CCOC(=O)c1cc(NC(=O)c2ccc3ccccc3c2[O-])n[n-]1 ZINC000540976309 468373972 /nfs/dbraw/zinc/37/39/72/468373972.db2.gz VUZVOXIFKQILPN-UHFFFAOYSA-N -2 3 325.324 2.698 20 0 EFADHL CCOC(=O)c1cc(NC(=O)c2ccc3ccccc3c2[O-])[n-]n1 ZINC000540976309 468373976 /nfs/dbraw/zinc/37/39/76/468373976.db2.gz VUZVOXIFKQILPN-UHFFFAOYSA-N -2 3 325.324 2.698 20 0 EFADHL O=C(Nc1ccc([O-])cc1F)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000124431445 473244515 /nfs/dbraw/zinc/24/45/15/473244515.db2.gz YKJVDYPUWNSNTB-UHFFFAOYSA-N -2 3 331.278 2.814 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CC2)c(F)c1 ZINC000184893918 473266707 /nfs/dbraw/zinc/26/67/07/473266707.db2.gz KUGKLSHSGJWFAC-UHFFFAOYSA-N -2 3 349.383 2.534 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1nc(C)cs1 ZINC000185006946 473297971 /nfs/dbraw/zinc/29/79/71/473297971.db2.gz FAWOCLXZSKKWFX-VIFPVBQESA-N -2 3 346.455 2.641 20 0 EFADHL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000013267974 471823324 /nfs/dbraw/zinc/82/33/24/471823324.db2.gz UQZBWIBJZRVYGF-UHFFFAOYSA-N -2 3 331.393 2.603 20 0 EFADHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000020302224 471988735 /nfs/dbraw/zinc/98/87/35/471988735.db2.gz MXRBSFRNBRYOBA-RDDDGLTNSA-N -2 3 340.228 2.771 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000035085819 471993444 /nfs/dbraw/zinc/99/34/44/471993444.db2.gz UUEPITLVCSPYFO-MRVPVSSYSA-N -2 3 345.726 2.500 20 0 EFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000036961337 472007783 /nfs/dbraw/zinc/00/77/83/472007783.db2.gz DXNNTOXWIIZLRO-JTQLQIEISA-N -2 3 340.228 2.771 20 0 EFADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000037413184 472011291 /nfs/dbraw/zinc/01/12/91/472011291.db2.gz KIMVMYFFTMQALS-ZCFIWIBFSA-N -2 3 345.726 2.500 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000024432836 472055446 /nfs/dbraw/zinc/05/54/46/472055446.db2.gz CNBZIPYNNMOTPC-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000084147182 472151246 /nfs/dbraw/zinc/15/12/46/472151246.db2.gz AAKQGYIWJIEMBA-UHFFFAOYSA-N -2 3 326.201 2.525 20 0 EFADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000084147187 472151383 /nfs/dbraw/zinc/15/13/83/472151383.db2.gz WEIMRULGTAEROR-UHFFFAOYSA-N -2 3 326.201 2.525 20 0 EFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl ZINC000055311343 472165679 /nfs/dbraw/zinc/16/56/79/472165679.db2.gz RMAXHMPJGSJXIG-UHFFFAOYSA-N -2 3 333.724 2.880 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])cc1C ZINC000032596970 472445758 /nfs/dbraw/zinc/44/57/58/472445758.db2.gz MEVIXADBUCYVIV-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc1C(=O)[O-] ZINC000045946418 472488384 /nfs/dbraw/zinc/48/83/84/472488384.db2.gz ZXLNASJWAAVERR-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccc([O-])cc3F)n2)cc1 ZINC000119381963 472551945 /nfs/dbraw/zinc/55/19/45/472551945.db2.gz AIJBAFJCNNSUFO-UHFFFAOYSA-N -2 3 343.314 2.684 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1cccs1 ZINC000129762997 472563368 /nfs/dbraw/zinc/56/33/68/472563368.db2.gz VDEYLCWBFIARSL-NSHDSACASA-N -2 3 349.792 2.645 20 0 EFADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000060800319 472678599 /nfs/dbraw/zinc/67/85/99/472678599.db2.gz WFNVXCMWABOMPW-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000060800124 472678660 /nfs/dbraw/zinc/67/86/60/472678660.db2.gz OTRFNRINVJXASM-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000048382902 472870954 /nfs/dbraw/zinc/87/09/54/472870954.db2.gz WHFAJEONRCHXAX-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL Cc1nc(C)c(CC(=O)Nc2cc(Cl)c([O-])c(Cl)c2)c(=O)[n-]1 ZINC000159321166 473018222 /nfs/dbraw/zinc/01/82/22/473018222.db2.gz QYSCNQRGYSMYGW-UHFFFAOYSA-N -2 3 342.182 2.580 20 0 EFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000135573388 473096093 /nfs/dbraw/zinc/09/60/93/473096093.db2.gz RHIIRVLGLCSQGM-UFBFGSQYSA-N -2 3 337.850 2.713 20 0 EFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000123896697 473196122 /nfs/dbraw/zinc/19/61/22/473196122.db2.gz FGBSVXFKHZDWEO-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1 ZINC000172810206 473687616 /nfs/dbraw/zinc/68/76/16/473687616.db2.gz AZHRLFDGYCEMJN-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000262617243 473701187 /nfs/dbraw/zinc/70/11/87/473701187.db2.gz DRARBQWSJQIQAV-VIFPVBQESA-N -2 3 326.201 2.525 20 0 EFADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000282034187 473925855 /nfs/dbraw/zinc/92/58/55/473925855.db2.gz RQRIPKDMEQANLN-MRVPVSSYSA-N -2 3 340.228 2.915 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC(=O)[O-] ZINC000275075616 474061006 /nfs/dbraw/zinc/06/10/06/474061006.db2.gz XPGVPBWKIHXZIK-UHFFFAOYSA-N -2 3 340.228 2.773 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)[O-])c1nccs1 ZINC000226475782 474242551 /nfs/dbraw/zinc/24/25/51/474242551.db2.gz ZEAVNDYRPUNAJJ-MRVPVSSYSA-N -2 3 346.455 2.641 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)ccc1[O-] ZINC000175689004 474282854 /nfs/dbraw/zinc/28/28/54/474282854.db2.gz CPEGZQRSJNGOJU-UHFFFAOYSA-N -2 3 338.360 2.599 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)cc1 ZINC000340891676 474753787 /nfs/dbraw/zinc/75/37/87/474753787.db2.gz BWZLFGSQQFJIEW-UHFFFAOYSA-N -2 3 349.408 2.686 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000312671956 474851915 /nfs/dbraw/zinc/85/19/15/474851915.db2.gz XYBPVJHBNRLOAD-UHFFFAOYSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(F)cc(F)cc1F ZINC000316481428 474879406 /nfs/dbraw/zinc/87/94/06/474879406.db2.gz UMQLASSGOJHHKQ-UHFFFAOYSA-N -2 3 335.259 2.504 20 0 EFADHL CCC(CC)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000317246939 474886650 /nfs/dbraw/zinc/88/66/50/474886650.db2.gz XBSMLJYQFLZJQW-UHFFFAOYSA-N -2 3 349.836 2.761 20 0 EFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000320403569 474911517 /nfs/dbraw/zinc/91/15/17/474911517.db2.gz GMCYZFSAEUIHAJ-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1 ZINC000320611099 474915435 /nfs/dbraw/zinc/91/54/35/474915435.db2.gz ZWSBGGKNZJWTEK-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F ZINC000285245141 474943648 /nfs/dbraw/zinc/94/36/48/474943648.db2.gz UKALAFZOKOZUKS-LURJTMIESA-N -2 3 345.726 2.500 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)COC2 ZINC000323370804 474949824 /nfs/dbraw/zinc/94/98/24/474949824.db2.gz ZZJPKOPTCJEJDR-UHFFFAOYSA-N -2 3 333.365 2.524 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1C ZINC000323699353 474953913 /nfs/dbraw/zinc/95/39/13/474953913.db2.gz IKEYVJMDUAHNSI-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1cccc(CC(=O)[O-])c1 ZINC000323892151 474957234 /nfs/dbraw/zinc/95/72/34/474957234.db2.gz XFFOPSBRYKWZHM-UHFFFAOYSA-N -2 3 337.372 2.870 20 0 EFADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000268559045 475036235 /nfs/dbraw/zinc/03/62/35/475036235.db2.gz INNYNRDKDRDWQV-SNVBAGLBSA-N -2 3 347.820 2.657 20 0 EFADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc([O-])ccc1Cl ZINC000339691823 475415964 /nfs/dbraw/zinc/41/59/64/475415964.db2.gz RLBJRNYEKFLSPN-UHFFFAOYSA-N -2 3 331.715 2.641 20 0 EFADHL Cc1ccc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c([O-])c1 ZINC000339891361 475595897 /nfs/dbraw/zinc/59/58/97/475595897.db2.gz ODLLAANXMNMVAP-UHFFFAOYSA-N -2 3 327.315 2.983 20 0 EFADHL CC(C)c1ccc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c([O-])c1 ZINC000332349832 475609786 /nfs/dbraw/zinc/60/97/86/475609786.db2.gz QMYFYAXOIYEYOP-LBPRGKRZSA-N -2 3 331.372 2.624 20 0 EFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000297274708 475687259 /nfs/dbraw/zinc/68/72/59/475687259.db2.gz SXUFDJHCXNZMDH-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL CC1(C)Cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)ccc2O1 ZINC000362002421 475927725 /nfs/dbraw/zinc/92/77/25/475927725.db2.gz RLYKBDWKQGIZAU-UHFFFAOYSA-N -2 3 347.392 2.899 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000340324906 475945914 /nfs/dbraw/zinc/94/59/14/475945914.db2.gz LWTOPWLVUUCXCJ-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C2CCCCCC2)c1 ZINC000355506440 475994157 /nfs/dbraw/zinc/99/41/57/475994157.db2.gz FCTQTCWEYZUCFH-UHFFFAOYSA-N -2 3 329.393 2.833 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC000362241032 476104944 /nfs/dbraw/zinc/10/49/44/476104944.db2.gz ZHQITJZKVYAQBF-GFCCVEGCSA-N -2 3 331.409 2.692 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)CCc2cccs2)c1 ZINC000357013204 476154698 /nfs/dbraw/zinc/15/46/98/476154698.db2.gz HENLZBZOYNFCLZ-UHFFFAOYSA-N -2 3 329.374 2.570 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000357022230 476164303 /nfs/dbraw/zinc/16/43/03/476164303.db2.gz BIRWHPCPYYLSJV-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000357033491 476174621 /nfs/dbraw/zinc/17/46/21/476174621.db2.gz XVELLMOIGNAPRA-UHFFFAOYSA-N -2 3 343.763 2.907 20 0 EFADHL Cc1nc(C)c(Cc2nc(-c3ccc([O-])cc3Cl)no2)c(=O)[n-]1 ZINC000350811242 476302801 /nfs/dbraw/zinc/30/28/01/476302801.db2.gz BQQISFYATJIVAR-UHFFFAOYSA-N -2 3 332.747 2.799 20 0 EFADHL O=C([N-]c1n[n-]c(-c2c(F)cccc2F)n1)c1ocnc1C1CC1 ZINC000377710263 476539555 /nfs/dbraw/zinc/53/95/55/476539555.db2.gz WONVSFKZCLLNCJ-UHFFFAOYSA-N -2 3 331.282 2.868 20 0 EFADHL Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C)OCO2 ZINC000357715076 476554978 /nfs/dbraw/zinc/55/49/78/476554978.db2.gz KSZACUYUKXJMBH-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL CCC[C@](C)([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000386468548 476766948 /nfs/dbraw/zinc/76/69/48/476766948.db2.gz JUFPGWZJZRQFEL-LBPRGKRZSA-N -2 3 339.335 2.627 20 0 EFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000387930884 476775166 /nfs/dbraw/zinc/77/51/66/476775166.db2.gz VSNIWPKHLXGJFI-FZMZJTMJSA-N -2 3 349.811 2.791 20 0 EFADHL CC(C)(C)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000401542597 476898316 /nfs/dbraw/zinc/89/83/16/476898316.db2.gz BXZJBAJRIJEXSG-SECBINFHSA-N -2 3 337.800 2.647 20 0 EFADHL O=C([N-]c1n[n-]c(-c2ccccn2)n1)c1ncsc1C(F)(F)F ZINC000431763699 477090983 /nfs/dbraw/zinc/09/09/83/477090983.db2.gz CLQQZXXAJJRJAM-UHFFFAOYSA-N -2 3 340.290 2.594 20 0 EFADHL COc1cccc(C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)c1[O-] ZINC000448537063 477185436 /nfs/dbraw/zinc/18/54/36/477185436.db2.gz GADLHZOWYMZHPN-UHFFFAOYSA-N -2 3 328.299 2.869 20 0 EFADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1C ZINC000435734200 477360569 /nfs/dbraw/zinc/36/05/69/477360569.db2.gz WJTJOYLBZHALHJ-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C[C@@H](C)c1ccccc1 ZINC000436477330 477486783 /nfs/dbraw/zinc/48/67/83/477486783.db2.gz LDOUOGATYNBKNS-GFCCVEGCSA-N -2 3 349.408 2.724 20 0 EFADHL O=C(Nc1nnc(-c2c(F)cccc2F)[n-]1)c1c([O-])cccc1F ZINC000436612471 477533129 /nfs/dbraw/zinc/53/31/29/477533129.db2.gz YHCZGXACWJAMNX-UHFFFAOYSA-N -2 3 334.257 2.847 20 0 EFADHL O=C(Nc1nc(-c2c(F)cccc2F)n[n-]1)c1c([O-])cccc1F ZINC000436612471 477533137 /nfs/dbraw/zinc/53/31/37/477533137.db2.gz YHCZGXACWJAMNX-UHFFFAOYSA-N -2 3 334.257 2.847 20 0 EFADHL O=C(Nc1n[n-]c(-c2c(F)cccc2F)n1)c1c([O-])cccc1F ZINC000436612471 477533145 /nfs/dbraw/zinc/53/31/45/477533145.db2.gz YHCZGXACWJAMNX-UHFFFAOYSA-N -2 3 334.257 2.847 20 0 EFADHL COc1cc(C(=O)[O-])cc(NC(=O)c2ccc(C)cc2[O-])c1OC ZINC000436647043 477545036 /nfs/dbraw/zinc/54/50/36/477545036.db2.gz IZFXPKDSIJSGOX-UHFFFAOYSA-N -2 3 331.324 2.668 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000436668173 477551175 /nfs/dbraw/zinc/55/11/75/477551175.db2.gz WOGPSWAASHVALL-UHFFFAOYSA-N -2 3 349.408 2.905 20 0 EFADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC000436837972 477607855 /nfs/dbraw/zinc/60/78/55/477607855.db2.gz PJPXKOVBLQGARC-UHFFFAOYSA-N -2 3 328.303 2.648 20 0 EFADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC000436837972 477607863 /nfs/dbraw/zinc/60/78/63/477607863.db2.gz PJPXKOVBLQGARC-UHFFFAOYSA-N -2 3 328.303 2.648 20 0 EFADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC000436837972 477607872 /nfs/dbraw/zinc/60/78/72/477607872.db2.gz PJPXKOVBLQGARC-UHFFFAOYSA-N -2 3 328.303 2.648 20 0 EFADHL O=C(Nc1ncccc1[O-])c1cc(F)cc(Br)c1[O-] ZINC000436856689 477614597 /nfs/dbraw/zinc/61/45/97/477614597.db2.gz YXHLKOIEZVOPGO-UHFFFAOYSA-N -2 3 327.109 2.647 20 0 EFADHL Cc1cn([C@H](C)c2ccccc2)[nH]c1=NC(=O)c1ccc([O-])cc1[O-] ZINC000436883708 477623155 /nfs/dbraw/zinc/62/31/55/477623155.db2.gz BPBBWUCQLBTVBW-CYBMUJFWSA-N -2 3 337.379 2.886 20 0 EFADHL O=C(N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1)c1c([O-])cccc1F ZINC000436890527 477628031 /nfs/dbraw/zinc/62/80/31/477628031.db2.gz UKYNORZRQKCWHG-UHFFFAOYSA-N -2 3 333.269 2.874 20 0 EFADHL CCc1c([N-]C(=O)C(=O)c2ccc([O-])cc2)onc1C(F)(F)F ZINC000436913712 477634465 /nfs/dbraw/zinc/63/44/65/477634465.db2.gz WPBOVIYCGLHWRK-UHFFFAOYSA-N -2 3 328.246 2.783 20 0 EFADHL COC(=O)c1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1OC ZINC000436928742 477640022 /nfs/dbraw/zinc/64/00/22/477640022.db2.gz SYMVIWGKWCVGQL-UHFFFAOYSA-N -2 3 326.308 2.503 20 0 EFADHL Cc1ccc(C(=O)NCCC(=O)Nc2c([O-])cccc2Cl)c([O-])c1 ZINC000558472544 477876743 /nfs/dbraw/zinc/87/67/43/477876743.db2.gz HSGDRKJDMKCRGI-UHFFFAOYSA-N -2 3 348.786 2.818 20 0 EFADHL Cc1ccccc1-c1cc(=NC(=O)c2csc(=NC3CC3)[n-]2)[nH][n-]1 ZINC000494307058 477962450 /nfs/dbraw/zinc/96/24/50/477962450.db2.gz DHXFVKQOQLGUIU-UHFFFAOYSA-N -2 3 339.424 2.512 20 0 EFADHL CC[C@H](CS(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C)OC ZINC000421155820 477985183 /nfs/dbraw/zinc/98/51/83/477985183.db2.gz OTVOXYVQVKOWMX-LLVKDONJSA-N -2 3 329.418 2.675 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])c(F)c1 ZINC000560480681 478090947 /nfs/dbraw/zinc/09/09/47/478090947.db2.gz GDTMNUQHAVSZFZ-OCCSQVGLSA-N -2 3 343.420 2.836 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000560888768 478140293 /nfs/dbraw/zinc/14/02/93/478140293.db2.gz BVCRYPVOVOLAJG-OLZOCXBDSA-N -2 3 337.422 2.648 20 0 EFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000518878875 478196213 /nfs/dbraw/zinc/19/62/13/478196213.db2.gz SXPXPUQOTZKAGS-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL COCCc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000536611461 478262210 /nfs/dbraw/zinc/26/22/10/478262210.db2.gz UKPJDIGJHAWCET-UHFFFAOYSA-N -2 3 325.361 2.521 20 0 EFADHL Cc1cc([C@@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C)s1 ZINC000570088594 478281205 /nfs/dbraw/zinc/28/12/05/478281205.db2.gz KAXJMTVZLUXYNL-SSDOTTSWSA-N -2 3 346.455 2.559 20 0 EFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000562645001 478295651 /nfs/dbraw/zinc/29/56/51/478295651.db2.gz UMUZVGQTGXNDIQ-INIZCTEOSA-N -2 3 339.388 2.758 20 0 EFADHL Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000579469539 478305601 /nfs/dbraw/zinc/30/56/01/478305601.db2.gz JVVNKACGWSOGIZ-GFCCVEGCSA-N -2 3 337.397 2.504 20 0 EFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000570756440 478436749 /nfs/dbraw/zinc/43/67/49/478436749.db2.gz KXVPBPXBUAZSOU-SNVBAGLBSA-N -2 3 340.228 2.771 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)C ZINC000570750023 478436265 /nfs/dbraw/zinc/43/62/65/478436265.db2.gz KRVWVCNXWGJFBM-GFCCVEGCSA-N -2 3 343.376 2.658 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1C ZINC000539854618 478445454 /nfs/dbraw/zinc/44/54/54/478445454.db2.gz DUJGPIHJJUDUKG-UHFFFAOYSA-N -3 3 335.381 2.762 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](C)CC1 ZINC000571162238 478534013 /nfs/dbraw/zinc/53/40/13/478534013.db2.gz LWMYNAZEBDDOSF-NXEZZACHSA-N -2 3 347.458 2.702 20 0 EFADHL O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000563455321 478564158 /nfs/dbraw/zinc/56/41/58/478564158.db2.gz MANNCYQQWFRULS-JKSUJKDBSA-N -2 3 339.395 2.850 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000582600790 478639423 /nfs/dbraw/zinc/63/94/23/478639423.db2.gz BEUVAWHHAFGWAD-RYUDHWBXSA-N -2 3 341.404 2.547 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000583319961 478822031 /nfs/dbraw/zinc/82/20/31/478822031.db2.gz RYJYTZDSJGUAMZ-DZGCQCFKSA-N -2 3 349.408 2.668 20 0 EFADHL C[C@H]1CCN(Cc2cccc([O-])c2Br)C[C@@H]1C(=O)[O-] ZINC000564970615 478873094 /nfs/dbraw/zinc/87/30/94/478873094.db2.gz GIOPFCBWQMTXKR-ONGXEEELSA-N -2 3 328.206 2.697 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc([C@@H]3CCOC3)cc2)c1 ZINC000573196871 479012608 /nfs/dbraw/zinc/01/26/08/479012608.db2.gz NFFOVWNOURXARD-CYBMUJFWSA-N -2 3 349.408 2.706 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@H]2C)cc1C(=O)[O-] ZINC000584111214 479018636 /nfs/dbraw/zinc/01/86/36/479018636.db2.gz RAOQFIBGPVZLKZ-HWPZZCPQSA-N -2 3 349.408 2.888 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@H](C)C(=O)[O-] ZINC000565702232 479064973 /nfs/dbraw/zinc/06/49/73/479064973.db2.gz RFVTYXZKKANFPI-JGVFFNPUSA-N -2 3 347.845 2.942 20 0 EFADHL CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000596086821 479130509 /nfs/dbraw/zinc/13/05/09/479130509.db2.gz BIJUAOYYJAGLHY-WDEREUQCSA-N -2 3 347.458 2.629 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1C(=O)[O-] ZINC000584588465 479189647 /nfs/dbraw/zinc/18/96/47/479189647.db2.gz JIJHHNJDJCGUDK-JHJVBQTASA-N -2 3 341.429 2.923 20 0 EFADHL Cc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)c1 ZINC000557346604 479273354 /nfs/dbraw/zinc/27/33/54/479273354.db2.gz YMASIZVTHUODAK-UHFFFAOYSA-N -2 3 339.438 2.584 20 0 EFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C1(C)CCCCC1 ZINC000574514762 479300191 /nfs/dbraw/zinc/30/01/91/479300191.db2.gz DAXDYAFCQTUGOZ-UHFFFAOYSA-N -2 3 345.392 2.534 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCC1=CCCCC1 ZINC000576105162 479540690 /nfs/dbraw/zinc/54/06/90/479540690.db2.gz NNRXMRWNDNNBBB-UHFFFAOYSA-N -2 3 345.442 2.624 20 0 EFADHL CC(C)(C)c1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(C(=O)[O-])c1 ZINC000605291792 479630728 /nfs/dbraw/zinc/63/07/28/479630728.db2.gz WCQINGNTCQRFJX-LBPRGKRZSA-N -2 3 341.429 2.603 20 0 EFADHL COc1ccc([O-])c(C(=O)N2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000621583838 479708890 /nfs/dbraw/zinc/70/88/90/479708890.db2.gz WPVHGJASZRGDHU-BBRMVZONSA-N -2 3 347.411 2.896 20 0 EFADHL CCO[C@@H](CS(=O)(=O)[N-]c1ccc(CC)cc1C(=O)[O-])C1CC1 ZINC000629290930 480202902 /nfs/dbraw/zinc/20/29/02/480202902.db2.gz ZUDVUWYWEQVHLG-HNNXBMFYSA-N -2 3 341.429 2.504 20 0 EFADHL CCO[C@H](CS(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-])C1CC1 ZINC000629294785 480203482 /nfs/dbraw/zinc/20/34/82/480203482.db2.gz CPMXOFPFLVJKJB-GFCCVEGCSA-N -2 3 347.820 2.595 20 0 EFADHL Cc1cc(Cl)c([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)c(C(=O)[O-])c1 ZINC000629293172 480203999 /nfs/dbraw/zinc/20/39/99/480203999.db2.gz FILDRCGELCKDPT-SECBINFHSA-N -2 3 347.820 2.656 20 0 EFADHL Cc1cc(Cl)c(C(=O)[O-])cc1[N-]S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000629304928 480207308 /nfs/dbraw/zinc/20/73/08/480207308.db2.gz WTNAABLUSCMZPB-SECBINFHSA-N -2 3 347.820 2.656 20 0 EFADHL CCC(F)(F)C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000629337029 480222507 /nfs/dbraw/zinc/22/25/07/480222507.db2.gz NXLDVUFWDAGNBO-UHFFFAOYSA-N -2 3 339.360 2.636 20 0 EFADHL CCc1c(=O)n(-c2cn[n-]c(=O)c2Cl)[n-]c1-c1cccc(C)c1 ZINC000634587270 480369746 /nfs/dbraw/zinc/36/97/46/480369746.db2.gz JLDAQXJHEJRNHL-LLVKDONJSA-N -2 3 330.775 2.921 20 0 EFADHL CC(C)c1c(-c2ccccc2)[n-]n(-c2cn[n-]c(=O)c2Cl)c1=O ZINC000634587442 480370514 /nfs/dbraw/zinc/37/05/14/480370514.db2.gz ONBWNRIHMZMXRJ-LBPRGKRZSA-N -2 3 330.775 2.859 20 0 EFADHL CCCCn1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c(C)n1 ZINC000634790324 480525479 /nfs/dbraw/zinc/52/54/79/480525479.db2.gz BRGKSYLUKMMBGT-UHFFFAOYSA-N -2 3 327.381 2.637 20 0 EFADHL CSc1nc(CNC(=O)c2ccc(C(C)C)cc2[O-])cc(=O)[n-]1 ZINC000640658874 480546310 /nfs/dbraw/zinc/54/63/10/480546310.db2.gz RYOFBCHPHRWGAY-UHFFFAOYSA-N -2 3 333.413 2.663 20 0 EFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccs1 ZINC000650238509 480954264 /nfs/dbraw/zinc/95/42/64/480954264.db2.gz BWUOEAPOZRKLGE-JTQLQIEISA-N -2 3 347.364 2.521 20 0 EFADHL O=c1cc(CN=c2nc(C3CCCC3)[n-]s2)nc(C2CCC2)[n-]1 ZINC000641682375 481002449 /nfs/dbraw/zinc/00/24/49/481002449.db2.gz YPWLYDILQWOSOE-UHFFFAOYSA-N -2 3 331.445 2.993 20 0 EFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CC1 ZINC000650425776 481088739 /nfs/dbraw/zinc/08/87/39/481088739.db2.gz QVMFBQBBAIFHSN-ZETCQYMHSA-N -2 3 338.212 2.525 20 0 EFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000650425773 481088756 /nfs/dbraw/zinc/08/87/56/481088756.db2.gz QQQAIKITQFFCIZ-ZETCQYMHSA-N -2 3 338.212 2.525 20 0 EFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000650425855 481090026 /nfs/dbraw/zinc/09/00/26/481090026.db2.gz TXMVRBGAKKMWGF-ZETCQYMHSA-N -2 3 338.212 2.525 20 0 EFADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000653344483 481239488 /nfs/dbraw/zinc/23/94/88/481239488.db2.gz YOYSJDYZKZKDBM-MRXNPFEDSA-N -2 3 327.380 2.918 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493137 481281154 /nfs/dbraw/zinc/28/11/54/481281154.db2.gz LHPNDDWLEGUYHF-SDDRHHMPSA-N -2 3 343.420 2.548 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653493136 481281186 /nfs/dbraw/zinc/28/11/86/481281186.db2.gz LHPNDDWLEGUYHF-GRYCIOLGSA-N -2 3 343.420 2.548 20 0 EFADHL CC(C)c1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])c([O-])c(C(C)C)c1 ZINC000653558008 481326770 /nfs/dbraw/zinc/32/67/70/481326770.db2.gz JWFASRSPAQILQQ-HNNXBMFYSA-N -2 3 335.400 2.565 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])C(C)C ZINC000647128521 481650638 /nfs/dbraw/zinc/65/06/38/481650638.db2.gz HMANUZXXDKHKGL-LLVKDONJSA-N -2 3 349.836 2.759 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1ccc2ccccc2c1F)CC(=O)[O-] ZINC000654770112 482044745 /nfs/dbraw/zinc/04/47/45/482044745.db2.gz WDEDBMHJKXPPTI-UHFFFAOYSA-N -2 3 339.388 2.758 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(NCC3(C(=O)[O-])CCCC3)nc2)n1 ZINC000649401989 482062615 /nfs/dbraw/zinc/06/26/15/482062615.db2.gz CHKYGQMMGJIFIW-UHFFFAOYSA-N -2 3 342.399 2.864 20 0 EFADHL CCN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])[C@H](C)C(=O)[O-] ZINC000663124532 482079989 /nfs/dbraw/zinc/07/99/89/482079989.db2.gz LARVGSNNXLSGRM-CYBMUJFWSA-N -2 3 343.379 2.906 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CCC2)oc1C(=O)[O-] ZINC000663419809 482222464 /nfs/dbraw/zinc/22/24/64/482222464.db2.gz DJZLWGJXWPQWQR-UHFFFAOYSA-N -2 3 349.408 2.686 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2ccccc2)oc1C(=O)[O-] ZINC000663418448 482222661 /nfs/dbraw/zinc/22/26/61/482222661.db2.gz HGJPCLZEBNZMCN-UHFFFAOYSA-N -2 3 337.397 2.542 20 0 EFADHL CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000663423135 482224579 /nfs/dbraw/zinc/22/45/79/482224579.db2.gz SKUPVOVGRIIEQO-ZDUSSCGKSA-N -2 3 337.397 2.586 20 0 EFADHL O=C(Nc1nnc(-c2ccccn2)[n-]1)c1ccc2ccccc2c1[O-] ZINC000175473545 534478268 /nfs/dbraw/zinc/47/82/68/534478268.db2.gz WARDBMHOJSFIOW-UHFFFAOYSA-N -2 3 331.335 2.978 20 0 EFADHL C[C@H](CN(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC000263268914 524287416 /nfs/dbraw/zinc/28/74/16/524287416.db2.gz VRUCZFNTHBILPJ-CYBMUJFWSA-N -2 3 343.379 2.764 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])cc2)sc1Cl ZINC000231806541 525411483 /nfs/dbraw/zinc/41/14/83/525411483.db2.gz XSRONVFKZCFFSN-UHFFFAOYSA-N -2 3 345.829 2.887 20 0 EFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000192701421 527638673 /nfs/dbraw/zinc/63/86/73/527638673.db2.gz OBLKEOSNUDWYPU-UHFFFAOYSA-N -2 3 343.763 2.907 20 0 EFADHL Cc1ccc(-c2cc(C(=O)[N-]c3nc(CC(=O)[O-])cs3)on2)cc1 ZINC000237710785 545567763 /nfs/dbraw/zinc/56/77/63/545567763.db2.gz VKQZHLZNSGKJCC-UHFFFAOYSA-N -2 3 343.364 2.986 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)c2ccccc2)c1 ZINC000656519115 546826443 /nfs/dbraw/zinc/82/64/43/546826443.db2.gz FKBDHUYCJHTUJL-SMDDNHRTSA-N -2 3 339.438 2.592 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C(C)=O)c1[O-])C1CCCC1 ZINC000656630009 546869290 /nfs/dbraw/zinc/86/92/90/546869290.db2.gz SFCPUONQNCMHKI-HNNXBMFYSA-N -2 3 341.429 2.542 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc(OCC(F)(F)F)cc2)[n-]c1=O ZINC000670369942 547474283 /nfs/dbraw/zinc/47/42/83/547474283.db2.gz LZSMXAJEYQINQI-ZZXKWVIFSA-N -2 3 340.257 2.992 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CC(=O)[O-])c1cccs1 ZINC000681556939 549565895 /nfs/dbraw/zinc/56/58/95/549565895.db2.gz GNKCOPJBWBXAMR-NSHDSACASA-N -2 3 343.401 2.690 20 0 EFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1cccs1 ZINC000681556935 549565914 /nfs/dbraw/zinc/56/59/14/549565914.db2.gz GKVUEFVKXVTZKX-VIFPVBQESA-N -2 3 347.364 2.521 20 0 EFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc(F)c1F)c1cccs1 ZINC000681556934 549565940 /nfs/dbraw/zinc/56/59/40/549565940.db2.gz GKVUEFVKXVTZKX-SECBINFHSA-N -2 3 347.364 2.521 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](CC(=O)[O-])c1cccs1 ZINC000681556938 549566126 /nfs/dbraw/zinc/56/61/26/549566126.db2.gz GNKCOPJBWBXAMR-LLVKDONJSA-N -2 3 343.401 2.690 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC(C)(C)CC(=O)[O-] ZINC000681576704 549569434 /nfs/dbraw/zinc/56/94/34/549569434.db2.gz VBNBQVFFFRAORQ-UHFFFAOYSA-N -2 3 343.376 2.660 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-] ZINC000683729730 549936555 /nfs/dbraw/zinc/93/65/55/549936555.db2.gz ZNOCBXHMWKLVBT-JTQLQIEISA-N -2 3 349.836 2.660 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-] ZINC000683729731 549936734 /nfs/dbraw/zinc/93/67/34/549936734.db2.gz ZNOCBXHMWKLVBT-SNVBAGLBSA-N -2 3 349.836 2.660 20 0 EFADHL Cc1cc(Cl)cc(NC(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c1[O-] ZINC000760474095 576029333 /nfs/dbraw/zinc/02/93/33/576029333.db2.gz WJGKAXWDCCXDQD-UHFFFAOYSA-N -2 3 338.713 2.750 20 0 EFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)[C@@H]1C ZINC000761237703 576134658 /nfs/dbraw/zinc/13/46/58/576134658.db2.gz JDLVAICMWBRYFF-JRKPZEMJSA-N -2 3 347.383 2.766 20 0 EFADHL Cc1ccsc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000761244184 576135114 /nfs/dbraw/zinc/13/51/14/576135114.db2.gz JXEIUEHDNVKOGK-UHFFFAOYSA-N -2 3 343.401 2.681 20 0 EFADHL CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000761304724 576143619 /nfs/dbraw/zinc/14/36/19/576143619.db2.gz IXLAOQXOSZKUAU-VHSXEESVSA-N -2 3 347.383 2.910 20 0 EFADHL O=C([O-])c1csc([N-]C(=O)c2scnc2Br)c1 ZINC000762142075 576264814 /nfs/dbraw/zinc/26/48/14/576264814.db2.gz OWKSPUOVTLPIEH-UHFFFAOYSA-N -2 3 333.188 2.918 20 0 EFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c1F ZINC000766051820 577102116 /nfs/dbraw/zinc/10/21/16/577102116.db2.gz LEJZSQODTOFHOM-UHFFFAOYSA-N -2 3 341.404 2.833 20 0 EFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3cccc(C(=O)[O-])c3)cc2)n1 ZINC000820949330 598140875 /nfs/dbraw/zinc/14/08/75/598140875.db2.gz PKPDSPAFUIZFGK-UHFFFAOYSA-N -2 3 349.346 2.696 20 0 EFADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000740146893 599854082 /nfs/dbraw/zinc/85/40/82/599854082.db2.gz WSRVZPXEYYEZRQ-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)c1C(=O)[O-] ZINC000738743890 600103627 /nfs/dbraw/zinc/10/36/27/600103627.db2.gz FYEUSQXSQFHBJU-UHFFFAOYSA-N -2 3 334.397 2.560 20 0 EFADHL O=C([O-])c1coc(COC(=O)c2cccc(Br)c2[O-])c1 ZINC000740269167 600110198 /nfs/dbraw/zinc/11/01/98/600110198.db2.gz DGXPDQHHMOGCMY-UHFFFAOYSA-N -2 3 341.113 2.803 20 0 EFADHL O=C([O-])Nc1cc(NC(=O)c2nnc3ccccc3c2[O-])ccc1F ZINC000740011356 600485564 /nfs/dbraw/zinc/48/55/64/600485564.db2.gz BIHFVIGOUDLIQS-UHFFFAOYSA-N -2 3 342.286 2.817 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)c([O-])c1 ZINC000737155986 600578444 /nfs/dbraw/zinc/57/84/44/600578444.db2.gz YMEKUCSOBYZWIC-UHFFFAOYSA-N -2 3 329.308 2.519 20 0 EFADHL COC(=O)Nc1ccc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc1[O-] ZINC000831210081 600731464 /nfs/dbraw/zinc/73/14/64/600731464.db2.gz KSEMPPBMVZDUOC-QMMMGPOBSA-N -2 3 349.295 2.780 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](CC2CC2)c2ccccc2)o1 ZINC000833324302 600773570 /nfs/dbraw/zinc/77/35/70/600773570.db2.gz BUDWRKBCDKAYGL-CYBMUJFWSA-N -2 3 335.381 2.798 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000324912095 600808812 /nfs/dbraw/zinc/80/88/12/600808812.db2.gz SBSWAQAFSWIIKJ-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL O=C([O-])C[C@H]1CN(C(=O)c2c[n-]c3ccccc3c2=O)c2ccccc21 ZINC000739647506 600912402 /nfs/dbraw/zinc/91/24/02/600912402.db2.gz WUCMIAVQFRTQPS-LBPRGKRZSA-N -2 3 348.358 2.747 20 0 EFADHL Cc1nc([N-]C(=O)c2noc(-c3cccc(F)c3)n2)sc1C(=O)[O-] ZINC000738865887 601115353 /nfs/dbraw/zinc/11/53/53/601115353.db2.gz IOWVYDQGZHTRIY-UHFFFAOYSA-N -2 3 348.315 2.591 20 0 EFADHL CCOc1cc(C(=O)Nc2cc(F)ccc2[O-])ccc1OCC(=O)[O-] ZINC000830037717 601186693 /nfs/dbraw/zinc/18/66/93/601186693.db2.gz IGXQQOBTTQMDRH-UHFFFAOYSA-N -2 3 349.314 2.646 20 0 EFADHL O=C([O-])c1cn(CC(=O)Nc2cc(F)ccc2[O-])c2ccccc12 ZINC000833119511 601186942 /nfs/dbraw/zinc/18/69/42/601186942.db2.gz GFFHUNRQCJUKFN-UHFFFAOYSA-N -2 3 328.299 2.823 20 0 EFADHL O=C([O-])CC1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCC1 ZINC000325550703 601187137 /nfs/dbraw/zinc/18/71/37/601187137.db2.gz SOHZPWVZHNPRSQ-UHFFFAOYSA-N -2 3 328.368 2.848 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000833028737 601215091 /nfs/dbraw/zinc/21/50/91/601215091.db2.gz PRBNGAAFDUWZCA-SSDOTTSWSA-N -2 3 345.323 2.604 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000833027403 601220183 /nfs/dbraw/zinc/22/01/83/601220183.db2.gz SIMHQUWGCGVRCY-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)c2cccc(C)c2)cc1C(=O)[O-] ZINC000832966305 601222636 /nfs/dbraw/zinc/22/26/36/601222636.db2.gz MMPHKPYVBHJANW-NSHDSACASA-N -2 3 337.397 2.677 20 0 EFADHL C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000314155977 601227839 /nfs/dbraw/zinc/22/78/39/601227839.db2.gz JKHBJKYHCCYOEW-WPRPVWTQSA-N -2 3 333.356 2.520 20 0 EFADHL C[C@H]1CCC[C@@H](C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000323606747 601232304 /nfs/dbraw/zinc/23/23/04/601232304.db2.gz SCZAMFYWINTXLZ-VHSXEESVSA-N -2 3 347.383 2.768 20 0 EFADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@H](C)C1 ZINC000320409030 601235639 /nfs/dbraw/zinc/23/56/39/601235639.db2.gz BNIMNIMNKLMWIE-FXPVBKGRSA-N -2 3 347.383 2.766 20 0 EFADHL CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000316011407 601238824 /nfs/dbraw/zinc/23/88/24/601238824.db2.gz RXRYROPNNPPJHI-BDAKNGLRSA-N -2 3 335.372 2.766 20 0 EFADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000391878273 601273310 /nfs/dbraw/zinc/27/33/10/601273310.db2.gz SJBWZBZEBOXHQN-UHFFFAOYSA-N -2 3 333.319 2.704 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c(F)c1 ZINC000832950683 601382831 /nfs/dbraw/zinc/38/28/31/601382831.db2.gz UMMOJJKBHHDOBK-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL CCCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000829340737 601403547 /nfs/dbraw/zinc/40/35/47/601403547.db2.gz RRJTUPKGQZGNCM-QMMMGPOBSA-N -2 3 325.839 2.713 20 0 EFADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000828677079 601480447 /nfs/dbraw/zinc/48/04/47/601480447.db2.gz JCUPVLVHYZPFNW-LBPRGKRZSA-N -2 3 340.228 2.915 20 0 EFADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000828677077 601480539 /nfs/dbraw/zinc/48/05/39/601480539.db2.gz JCUPVLVHYZPFNW-GFCCVEGCSA-N -2 3 340.228 2.915 20 0 EFADHL O=C([O-])[C@H]1CCC[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000833184316 601587057 /nfs/dbraw/zinc/58/70/57/601587057.db2.gz ADPHHRDWGDEMTP-BDAKNGLRSA-N -2 3 342.189 2.984 20 0 EFADHL Cc1sc(C(=O)[O-])cc1CO[N-]C(=O)CCOc1ccccc1 ZINC000833031232 601635679 /nfs/dbraw/zinc/63/56/79/601635679.db2.gz IJCMHEADXCPNJQ-UHFFFAOYSA-N -2 3 335.381 2.772 20 0 EFADHL COc1cccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c1[O-] ZINC000390884040 601746395 /nfs/dbraw/zinc/74/63/95/601746395.db2.gz XBAHHOPLCLNXQB-UHFFFAOYSA-N -2 3 336.369 2.517 20 0 EFADHL O=C([O-])CCC1CCN(Cn2[n-]c(-c3ccccn3)nc2=S)CC1 ZINC000833225874 601799766 /nfs/dbraw/zinc/79/97/66/601799766.db2.gz RCXYMSKCOOEWDQ-UHFFFAOYSA-N -2 3 347.444 2.537 20 0 EFADHL C[C@@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000828386931 601801089 /nfs/dbraw/zinc/80/10/89/601801089.db2.gz OYTDCPZWIRNRCS-DYVFJYSZSA-N -2 3 339.391 2.776 20 0 EFADHL CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000388684971 601809854 /nfs/dbraw/zinc/80/98/54/601809854.db2.gz JMVHAYAJIMGOFI-SCZZXKLOSA-N -2 3 333.356 2.520 20 0 EFADHL COc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])c([O-])c1 ZINC000832169678 604393212 /nfs/dbraw/zinc/39/32/12/604393212.db2.gz BJTPJJAADQKPMY-INIZCTEOSA-N -2 3 343.379 2.983 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CC3CCC2CC3)c1F ZINC000323800496 604660001 /nfs/dbraw/zinc/66/00/01/604660001.db2.gz GIWCTCVKEGRTGT-AMUVOQDHSA-N -2 3 345.367 2.520 20 0 EFADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000391164730 604942381 /nfs/dbraw/zinc/94/23/81/604942381.db2.gz CULDCVPFMZWGLZ-SNVBAGLBSA-N -2 3 335.429 2.720 20 0 EFADHL CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833425816 605016297 /nfs/dbraw/zinc/01/62/97/605016297.db2.gz QHVVPSSQLSGLPZ-NXEZZACHSA-N -2 3 346.474 2.725 20 0 EFADHL Cc1sc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(C(=O)[O-])c1C ZINC000833758088 605322176 /nfs/dbraw/zinc/32/21/76/605322176.db2.gz MDWGXFQRWCLZJZ-GHXNOFRVSA-N -2 3 342.376 2.786 20 0 EFADHL O=c1cc(-c2nc(-c3ccc4[n-]c(=S)sc4c3)no2)nc[n-]1 ZINC001212360290 1257958582 /nfs/dbraw/zinc/95/85/82/1257958582.db2.gz BWMNACBNTRHLPM-UHFFFAOYSA-N -2 3 329.366 2.798 20 0 EFADHL Cc1noc(C(C)C)c1C(=O)[N-]NC(=O)c1cc(Cl)ccc1[O-] ZINC000073558456 1259268665 /nfs/dbraw/zinc/26/86/65/1259268665.db2.gz LGLDXEZZUBILDZ-UHFFFAOYSA-N -2 3 337.763 2.540 20 0 EFADHL O=S(=O)(C[C@@H]1CCCOC1)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000788139636 1276053502 /nfs/dbraw/zinc/05/35/02/1276053502.db2.gz NEWGCEFFFVUWKG-SECBINFHSA-N -2 3 339.335 2.579 20 0 EFADHL O=S(=O)(C[C@H]1CCCOC1)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000788139638 1276053992 /nfs/dbraw/zinc/05/39/92/1276053992.db2.gz NEWGCEFFFVUWKG-VIFPVBQESA-N -2 3 339.335 2.579 20 0 EFADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000793386271 1279613655 /nfs/dbraw/zinc/61/36/55/1279613655.db2.gz YNCYAHVAUVXANO-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@@H]2C=CCC2)c1 ZINC000871982362 1287384884 /nfs/dbraw/zinc/38/48/84/1287384884.db2.gz LWLJZLMENXYGQH-MRVPVSSYSA-N -2 3 336.196 2.689 20 0 EFADHL Cc1ncc(CO)c(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1[O-] ZINC001147843078 1281318078 /nfs/dbraw/zinc/31/80/78/1281318078.db2.gz RFUKIIIWOSQBLA-UHFFFAOYSA-N -2 3 342.273 2.565 20 0 EFADHL CC(=O)c1cc(C(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)ccc1[O-] ZINC001148664765 1281720342 /nfs/dbraw/zinc/72/03/42/1281720342.db2.gz SVQDLIWODYBQLD-UHFFFAOYSA-N -2 3 337.335 2.738 20 0 EFADHL Cc1noc(C(F)(F)F)c1C(=O)[N-]c1n[n-]c(-c2ccco2)n1 ZINC001134128460 1286354381 /nfs/dbraw/zinc/35/43/81/1286354381.db2.gz OTQQHJUQUWUUQR-UHFFFAOYSA-N -2 3 327.222 2.632 20 0 EFADHL CN1CCc2ccc(Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)cc2C1 ZINC001176245150 1287914132 /nfs/dbraw/zinc/91/41/32/1287914132.db2.gz VGRNJAFIGYCJHZ-UHFFFAOYSA-N -2 3 326.352 2.815 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)O)cc2)cc1C(=O)[O-] ZINC001184695930 1290494190 /nfs/dbraw/zinc/49/41/90/1290494190.db2.gz OJLCADBRKWDSDC-NSHDSACASA-N -2 3 335.381 2.547 20 0 EFADHL C=Cc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC001185303674 1290642413 /nfs/dbraw/zinc/64/24/13/1290642413.db2.gz QFSGCLTUTOAULF-UHFFFAOYSA-N -2 3 333.365 2.837 20 0 EFADHL O=c1cc([N-]S(=O)(=O)c2cc3ccccc3s2)nc(Cl)[n-]1 ZINC001185430012 1290676074 /nfs/dbraw/zinc/67/60/74/1290676074.db2.gz XXEPWATTYKRLIG-UHFFFAOYSA-N -2 3 341.801 2.851 20 0 EFADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001185836830 1290768185 /nfs/dbraw/zinc/76/81/85/1290768185.db2.gz NQHKZRLFVNTQRM-UHFFFAOYSA-N -2 3 347.371 2.826 20 0 EFADHL O=C(Nc1ncc([O-])cc1Br)c1ccc([O-])c(F)c1 ZINC001186208976 1290911799 /nfs/dbraw/zinc/91/17/99/1290911799.db2.gz LRMWDXOKKQUWBH-UHFFFAOYSA-N -2 3 327.109 2.647 20 0 EFADHL Cc1ccnc(F)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001187547925 1291189563 /nfs/dbraw/zinc/18/95/63/1291189563.db2.gz GFCXMYVOYRDGQG-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL O=S(=O)(CCc1cccc2ccccc21)[N-]c1ncccc1[O-] ZINC001187614489 1291199939 /nfs/dbraw/zinc/19/99/39/1291199939.db2.gz IHVZUPGQIGAXEK-UHFFFAOYSA-N -2 3 328.393 2.925 20 0 EFADHL O=C(NCCP(=O)([O-])[O-])Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC001188226967 1291348716 /nfs/dbraw/zinc/34/87/16/1291348716.db2.gz AXNQSPROYFOXED-UHFFFAOYSA-N -2 3 346.629 2.658 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ncc2F)ccc1Cl ZINC001188282656 1291365017 /nfs/dbraw/zinc/36/50/17/1291365017.db2.gz UULQAMMJMYSWDR-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL CC(C)(C)OC(=O)c1ccc(NC(=O)c2ccncc2[O-])c([O-])c1 ZINC001188636787 1291439808 /nfs/dbraw/zinc/43/98/08/1291439808.db2.gz IFMZFCMNQKWIDN-UHFFFAOYSA-N -2 3 330.340 2.700 20 0 EFADHL O=C(NCCP(=O)([O-])[O-])Nc1ccc(Cl)cc1C(F)(F)F ZINC001189128420 1291589828 /nfs/dbraw/zinc/58/98/28/1291589828.db2.gz JTTXKTYKVNZLLW-UHFFFAOYSA-N -2 3 346.629 2.658 20 0 EFADHL O=C(Nc1ncc([O-])cc1Br)c1c([O-])ccc(F)c1F ZINC001192728995 1293002619 /nfs/dbraw/zinc/00/26/19/1293002619.db2.gz CRYDBNGTHOMEAH-UHFFFAOYSA-N -2 3 345.099 2.786 20 0 EFADHL C=Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC001192714110 1293018965 /nfs/dbraw/zinc/01/89/65/1293018965.db2.gz GBJFUYGDSJBKHO-UHFFFAOYSA-N -2 3 333.365 2.594 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc(C)c1C ZINC001192725783 1293025121 /nfs/dbraw/zinc/02/51/21/1293025121.db2.gz CSEWOYAMJXSOQR-UHFFFAOYSA-N -2 3 349.408 2.876 20 0 EFADHL O=C(Nc1ncc([O-])cc1Br)c1ccc([O-])c(F)c1F ZINC001192831218 1293067719 /nfs/dbraw/zinc/06/77/19/1293067719.db2.gz CRFFUVUHXXNKAR-UHFFFAOYSA-N -2 3 345.099 2.786 20 0 EFADHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1c[n-]c(C(F)(F)F)n1 ZINC001194783137 1293709462 /nfs/dbraw/zinc/70/94/62/1293709462.db2.gz GISXMUXWDDEOIH-UHFFFAOYSA-N -2 3 337.261 2.572 20 0 EFADHL COc1ccc([C@H](Oc2[n-]c(=O)nc3cn[n-]c32)c2ccccc2)cc1 ZINC001233939375 1313022186 /nfs/dbraw/zinc/02/21/86/1313022186.db2.gz IWUFVOJWYDHGNC-QGZVFWFLSA-N -2 3 348.362 2.823 20 0 EFADHL C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195187704 1293828810 /nfs/dbraw/zinc/82/88/10/1293828810.db2.gz WHAUOHMKWAWYGX-QPUJVOFHSA-N -2 3 333.356 2.520 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CC[C@@H]3CCC[C@@H]32)c(F)cc1F ZINC001195255233 1293863607 /nfs/dbraw/zinc/86/36/07/1293863607.db2.gz VICWLUVOJDHWRN-RVBZMBCESA-N -2 3 345.367 2.520 20 0 EFADHL CC1(C)CC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195259253 1293865179 /nfs/dbraw/zinc/86/51/79/1293865179.db2.gz AODYZBHTQQVUDD-QMMMGPOBSA-N -2 3 333.356 2.520 20 0 EFADHL O=C([O-])c1ccc(NC(=S)Nc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001197074702 1294453638 /nfs/dbraw/zinc/45/36/38/1294453638.db2.gz BRCPUJBBLQBBCJ-UHFFFAOYSA-N -2 3 330.369 2.567 20 0 EFADHL Cc1ccc(NS(=O)(=O)c2ccccc2C(=O)[O-])c(Cl)c1[O-] ZINC001198783324 1295228146 /nfs/dbraw/zinc/22/81/46/1295228146.db2.gz YTWVYVQUPCJBGN-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(F)c1F ZINC001198782780 1295228314 /nfs/dbraw/zinc/22/83/14/1295228314.db2.gz PYSLGKMSJGDURP-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=S(=O)([N-]c1nccs1)c1ccc(-c2ccccc2[O-])nc1 ZINC001241007483 1314091912 /nfs/dbraw/zinc/09/19/12/1314091912.db2.gz DDWFEAWGISCWSB-UHFFFAOYSA-N -2 3 333.394 2.712 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccccc3[O-])nc2)no1 ZINC001241008038 1314091984 /nfs/dbraw/zinc/09/19/84/1314091984.db2.gz FBRCZUXRTNXTJR-UHFFFAOYSA-N -2 3 331.353 2.551 20 0 EFADHL O=S(=O)([N-]c1ccccn1)c1ccc(-c2cccc([O-])c2F)nc1 ZINC001243544074 1314296647 /nfs/dbraw/zinc/29/66/47/1314296647.db2.gz KGZAYGOZBNQAAH-UHFFFAOYSA-N -2 3 345.355 2.789 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3cccc([O-])c3F)nc2)no1 ZINC001243543546 1314296753 /nfs/dbraw/zinc/29/67/53/1314296753.db2.gz GKDQZDONKWJASB-UHFFFAOYSA-N -2 3 349.343 2.691 20 0 EFADHL Cc1cc(-c2cccc3c2NC(=O)[N-]S3(=O)=O)cc(Cl)c1[O-] ZINC001244551325 1314389593 /nfs/dbraw/zinc/38/95/93/1314389593.db2.gz YYUGFTIWSYZFQS-UHFFFAOYSA-N -2 3 338.772 2.845 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc([N-]c3nonc3N)c2)cc1 ZINC001211014318 1314423916 /nfs/dbraw/zinc/42/39/16/1314423916.db2.gz UEJSEECPWHHEMC-UHFFFAOYSA-N -2 3 345.384 2.505 20 0 EFADHL C[C@@H](OCCP(=O)([O-])[O-])c1cc(Br)ccc1F ZINC001224606737 1311412706 /nfs/dbraw/zinc/41/27/06/1311412706.db2.gz RMKXKXVYOPOIHX-SSDOTTSWSA-N -2 3 327.086 2.844 20 0 EFADHL C[C@H](OCCP(=O)([O-])[O-])c1c(F)cc(Br)cc1F ZINC001224603485 1311412851 /nfs/dbraw/zinc/41/28/51/1311412851.db2.gz YSWXOWISOQYRBN-LURJTMIESA-N -2 3 345.076 2.983 20 0 EFADHL [S-]c1[n-]c(OC[C@@H]2CCC(c3ccccc3)=NO2)nc2ncnc1-2 ZINC001226781411 1311722125 /nfs/dbraw/zinc/72/21/25/1311722125.db2.gz GOFXYMZDCWFOKH-NSHDSACASA-N -2 3 341.396 2.604 20 0 EFADHL O=c1nc(O[C@H]2CCN(c3ccccc3)c3ccccc32)[n-]c(=O)[n-]1 ZINC001227568679 1311823472 /nfs/dbraw/zinc/82/34/72/1311823472.db2.gz BGGPOGYJKRZHSY-HNNXBMFYSA-N -2 3 336.351 2.945 20 0 EFADHL C[C@@H]1COCC[C@@H]1Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121279 1311902526 /nfs/dbraw/zinc/90/25/26/1311902526.db2.gz BKDKYAZYDIPTJT-DIFFPNOSSA-N -2 3 344.363 2.838 20 0 EFADHL O=C1CC(Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)C1 ZINC001229774103 1312136738 /nfs/dbraw/zinc/13/67/38/1312136738.db2.gz OPFMMCRGGRDQHZ-UHFFFAOYSA-N -2 3 338.315 2.982 20 0 EFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000400443191 1314765197 /nfs/dbraw/zinc/76/51/97/1314765197.db2.gz LNGAYPJTVAWMMB-CBAPKCEASA-N -2 3 339.866 2.878 20 0 EFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000400443192 1314765188 /nfs/dbraw/zinc/76/51/88/1314765188.db2.gz LNGAYPJTVAWMMB-IONNQARKSA-N -2 3 339.866 2.878 20 0 EFADHL [O-]c1cc([O-])c(-c2nc(-c3ccccn3)no2)cc1Br ZINC001215473558 1314840040 /nfs/dbraw/zinc/84/00/40/1314840040.db2.gz LNEGGGMMYGHACJ-UHFFFAOYSA-N -2 3 334.129 2.972 20 0 EFADHL CN(C)C(=O)c1cccc(Nc2c(F)cc(C(=O)[O-])cc2F)c1[O-] ZINC001215614774 1314857597 /nfs/dbraw/zinc/85/75/97/1314857597.db2.gz UTHFCRQHSHENHB-UHFFFAOYSA-N -2 3 336.294 2.814 20 0 EFADHL Nc1cccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)[O-])c2F)c1 ZINC001215698782 1314869847 /nfs/dbraw/zinc/86/98/47/1314869847.db2.gz ZKZGJJGFHBWFKF-UHFFFAOYSA-N -2 3 344.751 2.560 20 0 EFADHL CN(C)c1cccc2c1cccc2S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001250640173 1315235705 /nfs/dbraw/zinc/23/57/05/1315235705.db2.gz OFHFNHQWVHAFFO-UHFFFAOYSA-N -2 3 343.408 2.807 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001258936717 1316193678 /nfs/dbraw/zinc/19/36/78/1316193678.db2.gz CSDRUXJRQILWKE-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1c([O-])cccc1F)C(=O)C2 ZINC001258972763 1316198336 /nfs/dbraw/zinc/19/83/36/1316198336.db2.gz NUXYUWIYVJHGPP-QFYYESIMSA-N -2 3 341.404 2.668 20 0 EFADHL CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1c([O-])cccc1F)C(=O)C2 ZINC001258985358 1316199010 /nfs/dbraw/zinc/19/90/10/1316199010.db2.gz NUXYUWIYVJHGPP-QLJPJBMISA-N -2 3 341.404 2.668 20 0 EFADHL COc1cccc(S(=O)(=O)[N-]c2nc3c(cccc3[O-])s2)c1 ZINC001259182753 1316216341 /nfs/dbraw/zinc/21/63/41/1316216341.db2.gz KEEGJHLBOAUSRI-UHFFFAOYSA-N -2 3 336.394 2.811 20 0 EFADHL C[C@@H]1CC[C@@H](C)C1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259226495 1316221932 /nfs/dbraw/zinc/22/19/32/1316221932.db2.gz UZHCTFXDUAPHMB-HTQZYQBOSA-N -2 3 349.811 2.890 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c(F)cc1Cl ZINC001259225407 1316222006 /nfs/dbraw/zinc/22/20/06/1316222006.db2.gz OMNAGUAZOQIYPN-MRVPVSSYSA-N -2 3 333.768 2.564 20 0 EFADHL O=S(=O)(CCC(F)(F)F)[N-]c1nc2c(cccc2[O-])s1 ZINC001259865567 1316289547 /nfs/dbraw/zinc/28/95/47/1316289547.db2.gz OPOGZDDOEGJAGR-UHFFFAOYSA-N -2 3 326.321 2.696 20 0 EFADHL Cc1ccccc1CS(=O)(=O)[N-]c1cc2ccc([O-])cc2oc1=O ZINC001260017040 1316307156 /nfs/dbraw/zinc/30/71/56/1316307156.db2.gz YHOINLLANSZCNM-UHFFFAOYSA-N -2 3 345.376 2.749 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(Cl)n1 ZINC001260184087 1316320887 /nfs/dbraw/zinc/32/08/87/1316320887.db2.gz RMXALOGXCDZEAB-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)cc1 ZINC001260221979 1316324141 /nfs/dbraw/zinc/32/41/41/1316324141.db2.gz DPGAGZWDPQCFLF-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL COc1ccc(F)cc1S(=O)(=O)[N-]c1cc([O-])cc(Cl)c1 ZINC001260650649 1316354423 /nfs/dbraw/zinc/35/44/23/1316354423.db2.gz IYVGZHRQYXNAAO-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(F)cc1C(F)(F)F ZINC001261004670 1316384119 /nfs/dbraw/zinc/38/41/19/1316384119.db2.gz BFVMFGRXHVSXCE-UHFFFAOYSA-N -2 3 336.266 2.746 20 0 EFADHL O=P([O-])([O-])CCCCNC(=S)Nc1ccc(F)c(Cl)c1 ZINC001200594085 1334168053 /nfs/dbraw/zinc/16/80/53/1334168053.db2.gz SQWGCZFMTNXWSW-UHFFFAOYSA-N -2 3 340.744 2.723 20 0 EFADHL O=C([O-])[C@H]1C[C@H]2[C@H](NC(=O)c3cc([O-])cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001551450527 1414078002 /nfs/dbraw/zinc/07/80/02/1414078002.db2.gz OCYDZDPNCDUYMB-OVIHVDIASA-N -2 3 343.301 2.640 20 0 EFADHL CCc1csc([N-]C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000821499370 1429527741 /nfs/dbraw/zinc/52/77/41/1429527741.db2.gz IWETUGSKZIOWMS-SECBINFHSA-N -2 3 343.416 2.768 20 0 EFADHL CCc1csc([N-]C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000821499370 1429527749 /nfs/dbraw/zinc/52/77/49/1429527749.db2.gz IWETUGSKZIOWMS-SECBINFHSA-N -2 3 343.416 2.768 20 0 EFADHL CSC=CC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826227052 1426362586 /nfs/dbraw/zinc/36/25/86/1426362586.db2.gz KWLBSPGHOTYVQN-WAYWQWQTSA-N -2 3 344.425 2.805 20 0 EFADHL CSC=CC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826227052 1426362590 /nfs/dbraw/zinc/36/25/90/1426362590.db2.gz KWLBSPGHOTYVQN-WAYWQWQTSA-N -2 3 344.425 2.805 20 0 EFADHL CSC=CC(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821956187 1428006412 /nfs/dbraw/zinc/00/64/12/1428006412.db2.gz JHBSUIXNUMDMIB-SREVYHEPSA-N -2 3 344.425 2.805 20 0 EFADHL CSC=CC(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821956187 1428006414 /nfs/dbraw/zinc/00/64/14/1428006414.db2.gz JHBSUIXNUMDMIB-SREVYHEPSA-N -2 3 344.425 2.805 20 0 EFADHL CCCc1cnc([N-]C(=O)NCc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000825348049 1441707581 /nfs/dbraw/zinc/70/75/81/1441707581.db2.gz BGWNCIBIGNHFPA-UHFFFAOYSA-N -2 3 343.416 2.597 20 0 EFADHL CCCc1cnc([N-]C(=O)NCc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000825348049 1441707585 /nfs/dbraw/zinc/70/75/85/1441707585.db2.gz BGWNCIBIGNHFPA-UHFFFAOYSA-N -2 3 343.416 2.597 20 0 EFADHL CC=C(C)C(=O)[N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000820826152 1443760404 /nfs/dbraw/zinc/76/04/04/1443760404.db2.gz KAAKVZKASUVPAI-KMKOMSMNSA-N -2 3 340.412 2.819 20 0 EFADHL CC=C(C)C(=O)[N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000820826152 1443760407 /nfs/dbraw/zinc/76/04/07/1443760407.db2.gz KAAKVZKASUVPAI-KMKOMSMNSA-N -2 3 340.412 2.819 20 0 EFADHL Cc1ccccc1[C@H](C)CC(=O)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822345093 1446277499 /nfs/dbraw/zinc/27/74/99/1446277499.db2.gz DFQDDPXQPCRPLJ-SNVBAGLBSA-N -2 3 328.401 2.764 20 0 EFADHL Cc1ccccc1[C@H](C)CC(=O)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822345093 1446277504 /nfs/dbraw/zinc/27/75/04/1446277504.db2.gz DFQDDPXQPCRPLJ-SNVBAGLBSA-N -2 3 328.401 2.764 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2ccc(F)c(-c3nn[n-]n3)c2)c1 ZINC000736688303 1449415851 /nfs/dbraw/zinc/41/58/51/1449415851.db2.gz CQZJBMVTFQQGMJ-UHFFFAOYSA-N -2 3 327.319 2.526 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2ccc(F)c(-c3nnn[n-]3)c2)c1 ZINC000736688303 1449415856 /nfs/dbraw/zinc/41/58/56/1449415856.db2.gz CQZJBMVTFQQGMJ-UHFFFAOYSA-N -2 3 327.319 2.526 20 0 EFADHL CC1(C)C[C@H]1C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824796911 1450325963 /nfs/dbraw/zinc/32/59/63/1450325963.db2.gz UPSKZOQWBJWJFN-NSHDSACASA-N -2 3 340.412 2.975 20 0 EFADHL CC1(C)C[C@H]1C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824796911 1450325969 /nfs/dbraw/zinc/32/59/69/1450325969.db2.gz UPSKZOQWBJWJFN-NSHDSACASA-N -2 3 340.412 2.975 20 0 EFADHL CCC(CC)(CC(=O)[O-])NC(=O)c1cc([O-])cc(Br)c1 ZINC000909375326 716236775 /nfs/dbraw/zinc/23/67/75/716236775.db2.gz LZGLDZXUOSCPRE-UHFFFAOYSA-N -2 3 344.205 2.918 20 0 EFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)C)c1Cl ZINC000261615505 719763576 /nfs/dbraw/zinc/76/35/76/719763576.db2.gz AVCLTHNGHQXYKB-JTQLQIEISA-N -2 3 340.228 2.689 20 0 EFADHL CC(C)[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000906950162 726837228 /nfs/dbraw/zinc/83/72/28/726837228.db2.gz DIQFUCVQINUDRM-QMMMGPOBSA-N -2 3 345.364 2.702 20 0 EFADHL O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000908988624 727302647 /nfs/dbraw/zinc/30/26/47/727302647.db2.gz KPSNVEYQAADGCX-OAHLLOKOSA-N -2 3 343.379 2.641 20 0 EFADHL O=C([O-])C[C@@H]1CSCCN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000909003760 727306155 /nfs/dbraw/zinc/30/61/55/727306155.db2.gz BHSCOWRNRBJQCR-CYBMUJFWSA-N -2 3 331.393 2.578 20 0 EFADHL CC[C@H](C)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909864561 727390049 /nfs/dbraw/zinc/39/00/49/727390049.db2.gz BJMWJHZDRYYWFC-FZMZJTMJSA-N -2 3 325.380 2.860 20 0 EFADHL CC(C)(C)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909874943 727391226 /nfs/dbraw/zinc/39/12/26/727391226.db2.gz UPXDTSKGWAPAHS-CYBMUJFWSA-N -2 3 325.380 2.860 20 0 EFADHL COc1ccc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)c([O-])c1 ZINC000910106386 727412830 /nfs/dbraw/zinc/41/28/30/727412830.db2.gz ZWPNROFARWZQBR-LBPRGKRZSA-N -2 3 348.380 2.533 20 0 EFADHL O=C([O-])c1nc(NC(=O)Cc2ccc([O-])c(F)c2)sc1C1CC1 ZINC000910734518 727460311 /nfs/dbraw/zinc/46/03/11/727460311.db2.gz QFUREFBKTJHWSF-UHFFFAOYSA-N -2 3 336.344 2.745 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)c(=O)[n-]1 ZINC000324458223 971122512 /nfs/dbraw/zinc/12/25/12/971122512.db2.gz CDFQPNRFDOJUDR-UHFFFAOYSA-N -2 3 349.774 2.722 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCC1 ZINC000325131992 971188788 /nfs/dbraw/zinc/18/87/88/971188788.db2.gz MDZLDBOHKVERLY-NSHDSACASA-N -2 3 347.383 2.910 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H](C2CC2)C2CCC2)c1F ZINC000325130184 971189274 /nfs/dbraw/zinc/18/92/74/971189274.db2.gz JLDJDAGXGLIIAL-AWEZNQCLSA-N -2 3 345.367 2.520 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000823387684 946421418 /nfs/dbraw/zinc/42/14/18/946421418.db2.gz UKRRHFYRSBTZAF-ABHPZVFCSA-N -2 3 325.353 2.591 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000823387684 946421423 /nfs/dbraw/zinc/42/14/23/946421423.db2.gz UKRRHFYRSBTZAF-ABHPZVFCSA-N -2 3 325.353 2.591 20 0 EFADHL CCCCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC001589652423 949784857 /nfs/dbraw/zinc/78/48/57/949784857.db2.gz BCEKBHGCGIRYLB-OCCSQVGLSA-N -2 3 335.400 2.754 20 0 EFADHL CCCCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])[C@H](C)C2)c([O-])c1 ZINC001589652424 949785000 /nfs/dbraw/zinc/78/50/00/949785000.db2.gz BCEKBHGCGIRYLB-TZMCWYRMSA-N -2 3 335.400 2.754 20 0 EFADHL O=C([O-])CC[C@@H]1CCCN(Cc2ncc(Br)cc2[O-])C1 ZINC001595017085 951294956 /nfs/dbraw/zinc/29/49/56/951294956.db2.gz NBMHMQZQQIPYNH-JTQLQIEISA-N -2 3 343.221 2.627 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])[nH]n1 ZINC001595209435 952357273 /nfs/dbraw/zinc/35/72/73/952357273.db2.gz GAEZJKSJVVQMKB-UHFFFAOYSA-N -2 3 339.307 2.858 20 0 EFADHL O=C([O-])c1ccc(C(=O)Nc2cc(Br)ccc2[O-])cn1 ZINC001594800326 953732819 /nfs/dbraw/zinc/73/28/19/953732819.db2.gz NIRQBHKZRCHOMS-UHFFFAOYSA-N -2 3 337.129 2.500 20 0 EFADHL CN(C)c1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)cc1 ZINC001593714424 954199022 /nfs/dbraw/zinc/19/90/22/954199022.db2.gz BGKSGEYFSOBZPT-UHFFFAOYSA-N -2 3 348.424 2.571 20 0 EFADHL O=C([O-])C1(C(=O)Nc2cc(Br)ccc2[O-])CC=CC1 ZINC001594869320 954334889 /nfs/dbraw/zinc/33/48/89/954334889.db2.gz OTZANOTVGKLXNB-UHFFFAOYSA-N -2 3 326.146 2.514 20 0 EFADHL CC(C)(CCC(=O)[O-])NC(=O)c1cc([O-])cc(Br)c1 ZINC000700707732 954869574 /nfs/dbraw/zinc/86/95/74/954869574.db2.gz ZJXLDLWRPRWYRP-UHFFFAOYSA-N -2 3 330.178 2.528 20 0 EFADHL O=C([O-])c1cccc(CNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC001594685485 956711158 /nfs/dbraw/zinc/71/11/58/956711158.db2.gz QLECTFKMKKSWQQ-UHFFFAOYSA-N -2 3 331.343 2.869 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-])C(F)F ZINC000389610155 972234587 /nfs/dbraw/zinc/23/45/87/972234587.db2.gz IDCLXIKOBVQTSL-LURJTMIESA-N -2 3 335.353 2.531 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]Cc2cccs2)c1F ZINC000036667053 957231734 /nfs/dbraw/zinc/23/17/34/957231734.db2.gz VASDBNBKQLKXCT-UHFFFAOYSA-N -2 3 349.792 2.717 20 0 EFADHL CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000049094296 957474071 /nfs/dbraw/zinc/47/40/71/957474071.db2.gz WVGCPLYPAYBOIA-JGVFFNPUSA-N -2 3 337.800 2.890 20 0 EFADHL O=C([O-])Cc1sc([N-]C(=O)c2cnns2)nc1-c1ccccc1 ZINC000054232885 957525874 /nfs/dbraw/zinc/52/58/74/957525874.db2.gz NXTICURTVBFVNM-UHFFFAOYSA-N -2 3 346.393 2.541 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000085325617 957893703 /nfs/dbraw/zinc/89/37/03/957893703.db2.gz XDNHWSQPWDOQGX-GMSGAONNSA-N -2 3 338.212 2.525 20 0 EFADHL CC[C@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000094221067 958267069 /nfs/dbraw/zinc/26/70/69/958267069.db2.gz LXIHSWIGQWZUDG-NSHDSACASA-N -2 3 326.201 2.525 20 0 EFADHL CC[C@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000094220825 958267478 /nfs/dbraw/zinc/26/74/78/958267478.db2.gz LVXWPCKYIWSXMA-NSHDSACASA-N -2 3 326.201 2.525 20 0 EFADHL CC(C)(C)CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000123849259 958509716 /nfs/dbraw/zinc/50/97/16/958509716.db2.gz VYVVXHRJVODDBZ-UHFFFAOYSA-N -2 3 337.800 2.892 20 0 EFADHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000392115486 972410949 /nfs/dbraw/zinc/41/09/49/972410949.db2.gz VUWBLYLGGKGNIP-UHFFFAOYSA-N -2 3 349.408 2.958 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1Cl ZINC000231657069 960201246 /nfs/dbraw/zinc/20/12/46/960201246.db2.gz YRICZJVIPYMYSC-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL CCC[C@@](C)([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000231806648 960205999 /nfs/dbraw/zinc/20/59/99/960205999.db2.gz YZBBPPLPEXYGFM-LLVKDONJSA-N -2 3 325.839 2.632 20 0 EFADHL CC(C)([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CC1 ZINC000232527770 960279628 /nfs/dbraw/zinc/27/96/28/960279628.db2.gz QGMJURZCWXQBKP-UHFFFAOYSA-N -2 3 335.784 2.644 20 0 EFADHL CC1(C)CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001259226715 960693254 /nfs/dbraw/zinc/69/32/54/960693254.db2.gz ZJZLEIQQQLCAGY-UHFFFAOYSA-N -2 3 349.811 2.892 20 0 EFADHL CC[C@@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001571175543 962098602 /nfs/dbraw/zinc/09/86/02/962098602.db2.gz KQZRIXDAHWMGOD-MRXNPFEDSA-N -2 3 327.380 2.770 20 0 EFADHL O=C([O-])C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccc(F)cc1 ZINC001571227910 962601765 /nfs/dbraw/zinc/60/17/65/962601765.db2.gz DWOPOBBGXVJQJU-CQSZACIVSA-N -2 3 335.306 2.545 20 0 EFADHL C[C@@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000308419516 963273266 /nfs/dbraw/zinc/27/32/66/963273266.db2.gz MBALVGJWQNBBCY-PSLIRLAXSA-N -2 3 347.383 2.910 20 0 EFADHL CC(C)CC1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCC1 ZINC000316875038 964065993 /nfs/dbraw/zinc/06/59/93/964065993.db2.gz BDGHYXQUWYCHHC-UHFFFAOYSA-N -2 3 329.418 2.863 20 0 EFADHL CC(C)CC1(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CCCC1 ZINC000317981932 970401112 /nfs/dbraw/zinc/40/11/12/970401112.db2.gz LNSWFXUCQAFRBB-UHFFFAOYSA-N -2 3 346.474 2.726 20 0 EFADHL CC(C)C(C)(C)C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000319756346 970569658 /nfs/dbraw/zinc/56/96/58/970569658.db2.gz DFZZXPKCIRVJOQ-UHFFFAOYSA-N -2 3 335.372 2.624 20 0 EFADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1 ZINC000320516660 970674096 /nfs/dbraw/zinc/67/40/96/970674096.db2.gz ZPHPTVHKTHWONH-UHFFFAOYSA-N -2 3 335.381 2.568 20 0 EFADHL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 ZINC000320548517 970677535 /nfs/dbraw/zinc/67/75/35/970677535.db2.gz CRLVCLNXFFRNQA-BAQGIRSFSA-N -2 3 339.319 2.863 20 0 EFADHL CC(C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1)C(F)(F)F ZINC000393866452 972652778 /nfs/dbraw/zinc/65/27/78/972652778.db2.gz QJYHPNNFIPIKOW-UHFFFAOYSA-N -2 3 345.726 2.657 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc([C@H](C)C(=O)[O-])cc1 ZINC000396626803 972924729 /nfs/dbraw/zinc/92/47/29/972924729.db2.gz LUSZPIXAAYUXJD-QMMMGPOBSA-N -2 3 347.396 2.653 20 0 EFADHL CC(C)[C@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000397129170 972970950 /nfs/dbraw/zinc/97/09/50/972970950.db2.gz SZQCQOWFSYEBOO-RISCZKNCSA-N -2 3 349.811 2.890 20 0 EFADHL O=C([O-])c1ccc2c(c1)CCCN2C(=O)c1c[n-]c2ccccc2c1=O ZINC001606502394 973994570 /nfs/dbraw/zinc/99/45/70/973994570.db2.gz YTSLKPGRZGHIGA-UHFFFAOYSA-N -2 3 348.358 2.819 20 0 EFADHL C[C@](CC(=O)[O-])(NC(=O)c1cc([O-])ccc1Cl)c1ccncc1 ZINC001592302660 977652116 /nfs/dbraw/zinc/65/21/16/977652116.db2.gz DHGMATBDOYQKMD-MRXNPFEDSA-N -2 3 334.759 2.561 20 0 EFADHL C[C@@H](CC[N-]S(=O)(=O)c1scnc1C(=O)[O-])CC(C)(C)C ZINC001592521492 978374806 /nfs/dbraw/zinc/37/48/06/978374806.db2.gz VQZADVWBACQCGN-VIFPVBQESA-N -2 3 334.463 2.582 20 0 EFADHL O=C([O-])[C@H]1CCCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC000738533683 978552589 /nfs/dbraw/zinc/55/25/89/978552589.db2.gz DLWYWXXNKABNAH-GFCCVEGCSA-N -2 3 337.759 2.591 20 0 EFADHL CC[C@@](NCc1nc(C)cc(=O)[n-]1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595306277 980457080 /nfs/dbraw/zinc/45/70/80/980457080.db2.gz YJZQHWKBXDQAKQ-INIZCTEOSA-N -2 3 335.791 2.624 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H]1CC1(C)C ZINC001595313657 980478494 /nfs/dbraw/zinc/47/84/94/980478494.db2.gz VGHFFVWKPPUROZ-WPRPVWTQSA-N -2 3 347.383 2.766 20 0 EFADHL CSC1(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CCCCC1 ZINC000903023579 980952808 /nfs/dbraw/zinc/95/28/08/980952808.db2.gz SHACFVUFKZDIEX-UHFFFAOYSA-N -2 3 347.458 2.630 20 0 EFADHL CCC1CCC(NC(=O)c2ccc(C(C)=O)c([O-])c2)(C(=O)[O-])CC1 ZINC001595425102 981044767 /nfs/dbraw/zinc/04/47/67/981044767.db2.gz WTRKBGIEHDZACP-UHFFFAOYSA-N -2 3 333.384 2.748 20 0 EFADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000909678299 981567678 /nfs/dbraw/zinc/56/76/78/981567678.db2.gz JLKWISBTOPSFLG-VMGRFDJRSA-N -2 3 325.364 2.871 20 0 EFADHL CC[C@@H](C(=O)[O-])C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC001594766643 981723605 /nfs/dbraw/zinc/72/36/05/981723605.db2.gz YYNQDOIXVSLBGH-CBAPKCEASA-N -2 3 338.385 2.729 20 0 EFADHL CC[C@H](C(=O)[O-])C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC001594766645 981723768 /nfs/dbraw/zinc/72/37/68/981723768.db2.gz YYNQDOIXVSLBGH-VXNVDRBHSA-N -2 3 338.385 2.729 20 0 EFADHL CCCCC[C@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC001595687064 982177942 /nfs/dbraw/zinc/17/79/42/982177942.db2.gz KPIGQIXILHEQJN-LBPRGKRZSA-N -2 3 335.372 2.585 20 0 EFADHL CCCCOc1ccc(C(=O)N2C[C@@H](C)[C@H](CC(=O)[O-])C2)c([O-])c1 ZINC001595774623 982533865 /nfs/dbraw/zinc/53/38/65/982533865.db2.gz XDKWKSINHQLXNX-CHWSQXEVSA-N -2 3 335.400 2.754 20 0 EFADHL C/C(=C/C(=O)[O-])CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC001588951986 984683448 /nfs/dbraw/zinc/68/34/48/984683448.db2.gz JYAYWLDLAAJUSB-YFHOEESVSA-N -2 3 342.380 2.644 20 0 EFADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001589199550 985634673 /nfs/dbraw/zinc/63/46/73/985634673.db2.gz QXXNBCPUQIHJFT-OAHLLOKOSA-N -2 3 348.399 2.504 20 0 EFADHL CC(=O)c1cccc(NC(=O)CCc2ccccc2C(=O)[O-])c1[O-] ZINC001589310838 986086562 /nfs/dbraw/zinc/08/65/62/986086562.db2.gz BSYDIEQADMJVAS-UHFFFAOYSA-N -2 3 327.336 2.864 20 0 EFADHL CCOc1cc(CN2CCC[C@]2(COC)C(=O)[O-])cc(Cl)c1[O-] ZINC001597033007 986459163 /nfs/dbraw/zinc/45/91/63/986459163.db2.gz WXCPJQNPTONLDV-INIZCTEOSA-N -2 3 343.807 2.510 20 0 EFADHL C[C@H](C(=O)[O-])c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC001589521279 987165437 /nfs/dbraw/zinc/16/54/37/987165437.db2.gz MTJWFYDLGWTGMO-JTQLQIEISA-N -2 3 337.335 2.776 20 0 EFADHL C[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC001589523752 987193103 /nfs/dbraw/zinc/19/31/03/987193103.db2.gz RGYWKSPFKKOJRM-GFCCVEGCSA-N -2 3 348.424 2.742 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(NCC(C)(C)CC(=O)[O-])nc2)n1 ZINC001597420937 987736883 /nfs/dbraw/zinc/73/68/83/987736883.db2.gz AWHRYIOHOBVAGV-UHFFFAOYSA-N -2 3 330.388 2.719 20 0 EFADHL CCc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(OC)cc2)c([O-])c1 ZINC001597500838 988059421 /nfs/dbraw/zinc/05/94/21/988059421.db2.gz YASJJBSIWFLNRH-MRXNPFEDSA-N -2 3 343.379 2.909 20 0 EFADHL CSc1cc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)co1 ZINC001599807145 988273734 /nfs/dbraw/zinc/27/37/34/988273734.db2.gz IRBPFAHRGNAJMQ-UHFFFAOYSA-N -2 3 327.387 2.513 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c1 ZINC001597555719 988281663 /nfs/dbraw/zinc/28/16/63/988281663.db2.gz DWRYXSDUIGNLQT-WDEREUQCSA-N -2 3 345.317 2.680 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(Cl)cc1 ZINC001599842344 988865678 /nfs/dbraw/zinc/86/56/78/988865678.db2.gz KHALDMZKQAWORT-SSDOTTSWSA-N -2 3 346.817 2.534 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1occc1C(=O)[O-])C1CCCCC1 ZINC001590774174 990575451 /nfs/dbraw/zinc/57/54/51/990575451.db2.gz FWCSIEOQMRKMDQ-UHFFFAOYSA-N -2 3 329.418 2.863 20 0 EFADHL CC(C)CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001591227165 992098570 /nfs/dbraw/zinc/09/85/70/992098570.db2.gz DSGTVEMQDSHSHV-AAEUAGOBSA-N -2 3 329.418 2.861 20 0 EFADHL COc1ccc([O-])c(C(=O)N2CCCc3ccc(C(=O)[O-])cc32)c1 ZINC001599598739 993784843 /nfs/dbraw/zinc/78/48/43/993784843.db2.gz WOHIMKDDXINZHV-UHFFFAOYSA-N -2 3 327.336 2.692 20 0 EFADHL C[C@H](c1cc(F)ccc1F)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593687846 996128195 /nfs/dbraw/zinc/12/81/95/996128195.db2.gz TXUOERIZXIFTAI-YWHRXPLCSA-N -2 3 339.338 2.523 20 0 EFADHL COc1cc(C)c(C)cc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001599390590 997027260 /nfs/dbraw/zinc/02/72/60/997027260.db2.gz FSQFSUYPMJXPKE-UHFFFAOYSA-N -2 3 341.429 2.699 20 0 EFADHL COCCON=C([O-])Nc1scc(-c2ccccc2)c1C(=O)[O-] ZINC001599252884 998262032 /nfs/dbraw/zinc/26/20/32/998262032.db2.gz WQUWZJVQKAXBFX-UHFFFAOYSA-N -2 3 336.369 2.813 20 0 EFADHL CC(=CC=Cc1ccc(F)cc1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588767935 1092986778 /nfs/dbraw/zinc/98/67/78/1092986778.db2.gz JAUVZXSYOIURIY-DMXZVYFZSA-N -2 3 338.346 2.514 20 0 EFADHL CC(=CC=Cc1ccc(F)cc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588767935 1092986787 /nfs/dbraw/zinc/98/67/87/1092986787.db2.gz JAUVZXSYOIURIY-DMXZVYFZSA-N -2 3 338.346 2.514 20 0 EFADHL CC(=Cc1ccc(Cl)s1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588770396 1092989640 /nfs/dbraw/zinc/98/96/40/1092989640.db2.gz LSXICHBZNGZALW-AATRIKPKSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1ccc(Cl)s1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588770396 1092989645 /nfs/dbraw/zinc/98/96/45/1092989645.db2.gz LSXICHBZNGZALW-AATRIKPKSA-N -2 3 334.792 2.946 20 0 EFADHL C[C@H](OC(=O)c1c(F)cc([O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001590012238 1093221728 /nfs/dbraw/zinc/22/17/28/1093221728.db2.gz YPGIKOJAYPIMPJ-QMMMGPOBSA-N -2 3 346.293 2.769 20 0 EFADHL CSCc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001591700513 1093834085 /nfs/dbraw/zinc/83/40/85/1093834085.db2.gz NXVOVRMPSVZCHP-UHFFFAOYSA-N -2 3 341.396 2.688 20 0 EFADHL Cc1c(Cl)cccc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001591820131 1093870724 /nfs/dbraw/zinc/87/07/24/1093870724.db2.gz ZSBANWKXQWOXOF-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C ZINC001592104162 1093982131 /nfs/dbraw/zinc/98/21/31/1093982131.db2.gz NKOIILRKSROLPH-QGZVFWFLSA-N -2 3 345.403 2.641 20 0 EFADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C ZINC001592104162 1093982136 /nfs/dbraw/zinc/98/21/36/1093982136.db2.gz NKOIILRKSROLPH-QGZVFWFLSA-N -2 3 345.403 2.641 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccc(Cl)s2)n1 ZINC001593282770 1094265446 /nfs/dbraw/zinc/26/54/46/1094265446.db2.gz DZYJIQCWSZRBPK-DAFODLJHSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccc(Cl)s2)n1 ZINC001593282770 1094265450 /nfs/dbraw/zinc/26/54/50/1094265450.db2.gz DZYJIQCWSZRBPK-DAFODLJHSA-N -2 3 333.760 2.845 20 0 EFADHL O=C(OCc1ccc(-c2nnn[n-]2)c(F)c1)c1cc([S-])ccc1F ZINC001593294449 1094270858 /nfs/dbraw/zinc/27/08/58/1094270858.db2.gz VQEVZSLUYORSGO-UHFFFAOYSA-N -2 3 348.334 2.791 20 0 EFADHL O=C(OCc1ccc(-c2nn[n-]n2)c(F)c1)c1cc([S-])ccc1F ZINC001593294449 1094270861 /nfs/dbraw/zinc/27/08/61/1094270861.db2.gz VQEVZSLUYORSGO-UHFFFAOYSA-N -2 3 348.334 2.791 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC001211622608 1094373831 /nfs/dbraw/zinc/37/38/31/1094373831.db2.gz IPRUJRALKRTTRU-UHFFFAOYSA-N -2 3 340.788 2.730 20 0 EFADHL Cc1cc(C)cc(C[C@@H](C)[N-]S(=O)(=O)c2occc2C(=O)[O-])c1 ZINC001600172023 1094837669 /nfs/dbraw/zinc/83/76/69/1094837669.db2.gz DCWSPGDBYQMAJC-GFCCVEGCSA-N -2 3 337.397 2.504 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCCC[C@H]2C)oc1C(=O)[O-] ZINC001600298662 1094952841 /nfs/dbraw/zinc/95/28/41/1094952841.db2.gz KCBQPXZFPUYBTK-PWSUYJOCSA-N -2 3 329.418 2.781 20 0 EFADHL Cc1ccc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c(F)c1 ZINC001600422458 1095054167 /nfs/dbraw/zinc/05/41/67/1095054167.db2.gz YGPFMHMTFWKZDO-UHFFFAOYSA-N -2 3 341.335 2.913 20 0 EFADHL Cc1ccc([O-])c(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c1 ZINC001600465382 1095087479 /nfs/dbraw/zinc/08/74/79/1095087479.db2.gz WPLXCUIOXXQAKI-SECBINFHSA-N -2 3 332.381 2.599 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)o1 ZINC001600478898 1095096851 /nfs/dbraw/zinc/09/68/51/1095096851.db2.gz HIGDXJHHDHLBBT-PIGZYNQJSA-N -2 3 349.408 2.744 20 0 EFADHL Cc1cccc([O-])c1C(=O)N1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001600542887 1095149595 /nfs/dbraw/zinc/14/95/95/1095149595.db2.gz TXKGRWFKFZMSJI-UHFFFAOYSA-N -2 3 329.327 2.736 20 0 EFADHL Cc1cscc1[N-]S(=O)(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC001600667383 1095248761 /nfs/dbraw/zinc/24/87/61/1095248761.db2.gz CZFAUMAKIDVKPM-GFCCVEGCSA-N -2 3 325.411 2.667 20 0 EFADHL Cc1nc2ccc([N-]S(=O)(=O)c3cccc(C)c3C(=O)[O-])cc2[nH]1 ZINC001600726632 1095291176 /nfs/dbraw/zinc/29/11/76/1095291176.db2.gz QRISUJIHAPPWJV-UHFFFAOYSA-N -2 3 345.380 2.679 20 0 EFADHL Cc1oc2ccccc2c1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001600860303 1095387845 /nfs/dbraw/zinc/38/78/45/1095387845.db2.gz OGTOJUAGXCZAPJ-UHFFFAOYSA-N -2 3 349.364 2.553 20 0 EFADHL O=C([O-])c1ccc(NC(=O)COC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001601335102 1095620652 /nfs/dbraw/zinc/62/06/52/1095620652.db2.gz DRTHQKALOOJMPN-UHFFFAOYSA-N -2 3 349.726 2.539 20 0 EFADHL O=C([O-])c1cc(Cl)cc(NC(=O)Cc2ccc([O-])c(F)c2)c1O ZINC001601361554 1095635032 /nfs/dbraw/zinc/63/50/32/1095635032.db2.gz OBFKPQGYZMLYMF-UHFFFAOYSA-N -2 3 339.706 2.770 20 0 EFADHL O=C([O-])[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C1CC1 ZINC001601393019 1095651275 /nfs/dbraw/zinc/65/12/75/1095651275.db2.gz FFEFOTMARZMIKT-GOSISDBHSA-N -2 3 339.391 2.770 20 0 EFADHL O=C([O-])[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc2ccccc21 ZINC001601400670 1095657883 /nfs/dbraw/zinc/65/78/83/1095657883.db2.gz NOEHDKTZPMSZLQ-QGZVFWFLSA-N -2 3 337.331 2.807 20 0 EFADHL O=C([O-])[C@H](CC1CCOCC1)NC(=O)c1cc2sccc2c([O-])c1 ZINC001601412628 1095664674 /nfs/dbraw/zinc/66/46/74/1095664674.db2.gz OXRFRDMWBCTSHJ-ZDUSSCGKSA-N -2 3 349.408 2.607 20 0 EFADHL O=C([O-])C1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CCC1 ZINC001601429921 1095671053 /nfs/dbraw/zinc/67/10/53/1095671053.db2.gz XPAUUQQEZPCDOU-UHFFFAOYSA-N -2 3 327.336 2.922 20 0 EFADHL O=C([O-])c1nc([N-]C(=O)c2conc2C(F)(F)F)sc1C1CC1 ZINC001601629821 1095772715 /nfs/dbraw/zinc/77/27/15/1095772715.db2.gz YERQTZQQOBLWMG-UHFFFAOYSA-N -2 3 347.274 2.978 20 0 EFADHL O=C([O-])[C@H](NCc1cccc([O-])c1Cl)c1ccc2c(c1)CCO2 ZINC001601676615 1095809771 /nfs/dbraw/zinc/80/97/71/1095809771.db2.gz UPASNCXKMXDNEM-MRXNPFEDSA-N -2 3 333.771 2.896 20 0 EFADHL O=C([O-])[C@@H](SCCc1nnn[n-]1)c1cccc(Cl)c1Cl ZINC001601688231 1095819387 /nfs/dbraw/zinc/81/93/87/1095819387.db2.gz BYOMGFNBXBSRAF-JTQLQIEISA-N -2 3 333.200 2.608 20 0 EFADHL O=C([O-])[C@@H](SCCc1nn[n-]n1)c1cccc(Cl)c1Cl ZINC001601688231 1095819413 /nfs/dbraw/zinc/81/94/13/1095819413.db2.gz BYOMGFNBXBSRAF-JTQLQIEISA-N -2 3 333.200 2.608 20 0 EFADHL O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc3sccc3c([O-])c1)CC2 ZINC001601773966 1095898478 /nfs/dbraw/zinc/89/84/78/1095898478.db2.gz NPPHFESBCYDQOJ-LBPRGKRZSA-N -2 3 331.393 2.934 20 0 EFADHL O=C([O-])/C=C/c1ccc(C(=O)[N-]c2nnc(-c3ccccn3)s2)o1 ZINC001601878246 1095951591 /nfs/dbraw/zinc/95/15/91/1095951591.db2.gz ZXZYIRHTKRVHIL-FNORWQNLSA-N -2 3 342.336 2.543 20 0 EFADHL O=C([O-])CCCCC(=O)[N-]OCc1ccc(F)cc1Br ZINC001601982221 1096005249 /nfs/dbraw/zinc/00/52/49/1096005249.db2.gz HJBWQEGYMLQKBQ-UHFFFAOYSA-N -2 3 348.168 2.781 20 0 EFADHL O=C([O-])CCCc1csc(NC(=O)c2nc[n-]c2C(F)(F)F)n1 ZINC001602001225 1096014377 /nfs/dbraw/zinc/01/43/77/1096014377.db2.gz VAVMVOSOSVXARJ-UHFFFAOYSA-N -2 3 348.306 2.545 20 0 EFADHL O=C([O-])CCCc1csc([N-]C(=O)c2conc2C(F)(F)F)n1 ZINC001602000654 1096015350 /nfs/dbraw/zinc/01/53/50/1096015350.db2.gz NNSCWAQPOGFOSF-UHFFFAOYSA-N -2 3 349.290 2.810 20 0 EFADHL O=C([O-])CCN(Cc1ccncc1)C(=O)c1cc([O-])ccc1Cl ZINC001602008976 1096021422 /nfs/dbraw/zinc/02/14/22/1096021422.db2.gz DGCQSCVSEAMEES-UHFFFAOYSA-N -2 3 334.759 2.558 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCCC2CC2)c1F ZINC001602228417 1096127879 /nfs/dbraw/zinc/12/78/79/1096127879.db2.gz OJNMSZTUJJJBQG-UHFFFAOYSA-N -2 3 333.356 2.522 20 0 EFADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC001602232108 1096129759 /nfs/dbraw/zinc/12/97/59/1096129759.db2.gz OFFIQWXHERHODM-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL O=C([O-])c1ccc(CNC(=O)c2cc3sccc3c([O-])c2)nc1 ZINC001602342318 1096191147 /nfs/dbraw/zinc/19/11/47/1096191147.db2.gz ZNLMTGMOWOLOFI-UHFFFAOYSA-N -2 3 328.349 2.630 20 0 EFADHL O=C([O-])c1ccc(Cl)c(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)c1 ZINC001602358808 1096203188 /nfs/dbraw/zinc/20/31/88/1096203188.db2.gz NAQLQXQAZVQYCT-UHFFFAOYSA-N -2 3 331.715 2.872 20 0 EFADHL O=C([O-])c1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1F ZINC001602383775 1096216509 /nfs/dbraw/zinc/21/65/09/1096216509.db2.gz CLABXWJCZLFBBY-UHFFFAOYSA-N -2 3 331.225 2.650 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cn1 ZINC001602402160 1096222504 /nfs/dbraw/zinc/22/25/04/1096222504.db2.gz KUKSDZHLLPFEDC-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL O=C([O-])c1ccc2c(c1)CCCCN2C(=O)c1cccc2n[n-]nc21 ZINC001602416067 1096231526 /nfs/dbraw/zinc/23/15/26/1096231526.db2.gz SFJYDLCIAQHZBR-UHFFFAOYSA-N -2 3 336.351 2.639 20 0 EFADHL O=C([O-])c1ccc2c(c1)N(C(=O)c1c[n-]c3ccccc3c1=O)CCC2 ZINC001602423228 1096236471 /nfs/dbraw/zinc/23/64/71/1096236471.db2.gz SNRBPFXWAUNNHO-UHFFFAOYSA-N -2 3 348.358 2.819 20 0 EFADHL O=C([O-])c1cccc(-c2nc(CNC3(C(=O)[O-])CCCC3)cs2)c1 ZINC001602429628 1096241286 /nfs/dbraw/zinc/24/12/86/1096241286.db2.gz VDFCERXZMMIZTD-UHFFFAOYSA-N -2 3 346.408 2.995 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2c2ccccc2)c1 ZINC001602557069 1096297210 /nfs/dbraw/zinc/29/72/10/1096297210.db2.gz PMEPBDXZDSDUIY-HIFRSBDPSA-N -2 3 349.408 2.840 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC[C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001602558684 1096298116 /nfs/dbraw/zinc/29/81/16/1096298116.db2.gz DAVITSBNGQYWAB-ZIAGYGMSSA-N -2 3 349.408 2.525 20 0 EFADHL O=C([O-])c1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc1Cl ZINC001602656436 1096339649 /nfs/dbraw/zinc/33/96/49/1096339649.db2.gz NVTMDFYERSOGGT-JYRVWZFOSA-N -2 3 342.738 2.761 20 0 EFADHL CC(=CC1=Cc2ccccc2OC1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602902463 1096394610 /nfs/dbraw/zinc/39/46/10/1096394610.db2.gz ZPBDOIIJQGQJEV-JXMROGBWSA-N -2 3 348.366 2.550 20 0 EFADHL CC(=CC1=Cc2ccccc2OC1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602902463 1096394621 /nfs/dbraw/zinc/39/46/21/1096394621.db2.gz ZPBDOIIJQGQJEV-JXMROGBWSA-N -2 3 348.366 2.550 20 0 EFADHL CC(=Cc1coc2ccccc12)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602906571 1096396961 /nfs/dbraw/zinc/39/69/61/1096396961.db2.gz OCQXSWBFEPEDIX-VQHVLOKHSA-N -2 3 334.339 2.977 20 0 EFADHL CC(=Cc1coc2ccccc12)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602906571 1096396965 /nfs/dbraw/zinc/39/69/65/1096396965.db2.gz OCQXSWBFEPEDIX-VQHVLOKHSA-N -2 3 334.339 2.977 20 0 EFADHL CC(C)(C)c1cnc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)s1 ZINC001603120308 1096450971 /nfs/dbraw/zinc/45/09/71/1096450971.db2.gz FGYWBHHWKKXKNP-UHFFFAOYSA-N -2 3 344.400 2.579 20 0 EFADHL C[C@@H](C(=O)[O-])[C@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001603187593 1096469253 /nfs/dbraw/zinc/46/92/53/1096469253.db2.gz LHIUZLFRXVGCPJ-DIFFPNOSSA-N -2 3 331.343 2.652 20 0 EFADHL CC(C)C[C@@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)C(=O)[O-] ZINC001603263728 1096488962 /nfs/dbraw/zinc/48/89/62/1096488962.db2.gz SRBCVOSYSQVEGL-NSHDSACASA-N -2 3 340.387 2.574 20 0 EFADHL CC(C)C[C@@H](CNc1cc(-c2nn[n-]n2)c2ccccc2n1)C(=O)[O-] ZINC001603263728 1096488965 /nfs/dbraw/zinc/48/89/65/1096488965.db2.gz SRBCVOSYSQVEGL-NSHDSACASA-N -2 3 340.387 2.574 20 0 EFADHL C[C@H](Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1)C(=O)[O-] ZINC001604229219 1096780358 /nfs/dbraw/zinc/78/03/58/1096780358.db2.gz UFSVRSOVEODZOX-LLVKDONJSA-N -2 3 327.384 2.935 20 0 EFADHL CC1(C)C[C@]1(C[N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccccc1 ZINC001604520215 1096889964 /nfs/dbraw/zinc/88/99/64/1096889964.db2.gz DVIQVZNYDFGQPM-KRWDZBQOSA-N -2 3 349.408 2.624 20 0 EFADHL CC1(C)CCC(C)(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001604522085 1096890758 /nfs/dbraw/zinc/89/07/58/1096890758.db2.gz UIHUISKMIDOFMZ-UHFFFAOYSA-N -2 3 329.418 2.863 20 0 EFADHL C[C@@H]1CC[C@@](NC(=O)c2ccccc2[O-])(C(=O)[O-])c2ccccc21 ZINC001604708029 1096937129 /nfs/dbraw/zinc/93/71/29/1096937129.db2.gz YFLMFXFBOFOOAZ-BLVKFPJESA-N -2 3 325.364 2.999 20 0 EFADHL CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1ccc(Cl)c([O-])c1 ZINC001604799190 1096957923 /nfs/dbraw/zinc/95/79/23/1096957923.db2.gz QXMSXQRGCNQOJX-UHFFFAOYSA-N -2 3 349.803 2.559 20 0 EFADHL CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1ccc(Cl)c([O-])c1 ZINC001604799190 1096957928 /nfs/dbraw/zinc/95/79/28/1096957928.db2.gz QXMSXQRGCNQOJX-UHFFFAOYSA-N -2 3 349.803 2.559 20 0 EFADHL CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001604894534 1096976982 /nfs/dbraw/zinc/97/69/82/1096976982.db2.gz ZBQOPTNUNMSAQK-MRVPVSSYSA-N -2 3 335.372 2.766 20 0 EFADHL CCC(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001605065193 1097014585 /nfs/dbraw/zinc/01/45/85/1097014585.db2.gz PIXWHCPUXKOLBD-SECBINFHSA-N -2 3 336.132 2.736 20 0 EFADHL Cc1cc2ccnc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)c2[nH]1 ZINC001167934296 1097336848 /nfs/dbraw/zinc/33/68/48/1097336848.db2.gz QXOAITZVSCNMGR-UHFFFAOYSA-N -2 3 343.323 2.956 20 0 EFADHL Cc1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c2nccn2c1 ZINC001167935900 1097348520 /nfs/dbraw/zinc/34/85/20/1097348520.db2.gz FJBZCLHGKQISCL-UHFFFAOYSA-N -2 3 343.323 2.727 20 0 EFADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)Nc1cc(Cl)c([O-])cc1F ZINC001606601528 1097427177 /nfs/dbraw/zinc/42/71/77/1097427177.db2.gz DWMRPKXPTOBXGW-UHFFFAOYSA-N -2 3 347.737 2.546 20 0 EFADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)C(F)=CC1CCCCC1 ZINC001606863540 1097464489 /nfs/dbraw/zinc/46/44/89/1097464489.db2.gz FHEBLBOVCOGJRD-NTEUORMPSA-N -2 3 331.351 2.710 20 0 EFADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C(F)=CC1CCCCC1 ZINC001606863540 1097464495 /nfs/dbraw/zinc/46/44/95/1097464495.db2.gz FHEBLBOVCOGJRD-NTEUORMPSA-N -2 3 331.351 2.710 20 0 EFADHL COc1ccc([C@H](NCc2ccc(C(=O)[O-])c(C)c2)C(=O)[O-])cc1F ZINC001607234000 1097568569 /nfs/dbraw/zinc/56/85/69/1097568569.db2.gz FSEQJFSNNZCUJP-INIZCTEOSA-N -2 3 347.342 2.756 20 0 EFADHL COc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c(C(=O)[O-])c1 ZINC001607275872 1097581677 /nfs/dbraw/zinc/58/16/77/1097581677.db2.gz ODPQOHJQHRMNKA-UHFFFAOYSA-N -2 3 343.261 2.520 20 0 EFADHL COc1cccc2c(C(=O)OCc3ccc(F)cc3C(=O)[O-])n[n-]c21 ZINC001607333495 1097603881 /nfs/dbraw/zinc/60/38/81/1097603881.db2.gz HWGBJUXGOOKOSK-UHFFFAOYSA-N -2 3 344.298 2.766 20 0 EFADHL COc1cccc2c(C(=O)OCc3ccc(F)cc3C(=O)[O-])[n-]nc21 ZINC001607333495 1097603886 /nfs/dbraw/zinc/60/38/86/1097603886.db2.gz HWGBJUXGOOKOSK-UHFFFAOYSA-N -2 3 344.298 2.766 20 0 EFADHL Cc1c(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc(F)c1C(=O)[O-] ZINC001607548722 1097658322 /nfs/dbraw/zinc/65/83/22/1097658322.db2.gz IRRKORVRJUHQGA-WQLSENKSSA-N -2 3 340.310 2.555 20 0 EFADHL Cc1cc(C(=O)[O-])cc(Cl)c1[N-]S(=O)(=O)c1cncc(F)c1 ZINC001607591318 1097668964 /nfs/dbraw/zinc/66/89/64/1097668964.db2.gz PCGIQAWTGWOMIX-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL Cc1cc(=O)[n-]c([C@H](C)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])n1 ZINC001607699482 1097703136 /nfs/dbraw/zinc/70/31/36/1097703136.db2.gz PBXRISJKSAFXFU-SMDDNHRTSA-N -2 3 341.367 2.583 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](c2ccccc2)C2CC2)oc1C(=O)[O-] ZINC001607707938 1097705364 /nfs/dbraw/zinc/70/53/64/1097705364.db2.gz WZZGFAMYUUYLPI-AWEZNQCLSA-N -2 3 349.408 2.758 20 0 EFADHL O=C([O-])[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(O)c1 ZINC001608305378 1097888796 /nfs/dbraw/zinc/88/87/96/1097888796.db2.gz LASBEYPTZFLPNQ-KRWDZBQOSA-N -2 3 347.342 2.502 20 0 EFADHL O=C([O-])[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)CC1CCCC1 ZINC001608421096 1097917402 /nfs/dbraw/zinc/91/74/02/1097917402.db2.gz ITSNSVPOJBNRNQ-CYBMUJFWSA-N -2 3 342.395 2.539 20 0 EFADHL O=C([O-])c1c2c(sc1NC([O-])=NOCc1ccccc1)COCC2 ZINC001608484993 1097930243 /nfs/dbraw/zinc/93/02/43/1097930243.db2.gz YGPAPYYMDPTPJV-UHFFFAOYSA-N -2 3 348.380 2.772 20 0 EFADHL O=C([O-])[C@@H](CS(=O)(=O)[N-]c1ccc(F)cc1F)c1ccccc1 ZINC001608540946 1097945157 /nfs/dbraw/zinc/94/51/57/1097945157.db2.gz XTRKPHUOEPYQPM-LBPRGKRZSA-N -2 3 341.335 2.575 20 0 EFADHL O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(O)cc1[O-] ZINC001608596816 1097964934 /nfs/dbraw/zinc/96/49/34/1097964934.db2.gz FJHICAXTXMIULA-SWLSCSKDSA-N -2 3 333.384 2.593 20 0 EFADHL O=C([O-])CCc1ccccc1C(=O)Nc1[nH][n-]c2cc(=O)ccc1-2 ZINC001608740655 1098006113 /nfs/dbraw/zinc/00/61/13/1098006113.db2.gz LDESTNNQLQGSQF-UHFFFAOYSA-N -2 3 325.324 2.538 20 0 EFADHL O=C([O-])CCc1csc(NC(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC001608741283 1098006951 /nfs/dbraw/zinc/00/69/51/1098006951.db2.gz NMDCTBFZECMDCT-UHFFFAOYSA-N -2 3 346.408 2.997 20 0 EFADHL O=C([O-])COc1ccccc1CN[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001608765374 1098013827 /nfs/dbraw/zinc/01/38/27/1098013827.db2.gz HBPCIBBNNRZSFN-JKSUJKDBSA-N -2 3 341.363 2.553 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@H]2CCCC23CC3)c1F ZINC001608828029 1098035858 /nfs/dbraw/zinc/03/58/58/1098035858.db2.gz JWWKULYBZSOIQF-VIFPVBQESA-N -2 3 345.367 2.522 20 0 EFADHL O=C([O-])c1c[nH]c2cc(NC(=O)c3cc(F)cc4n[n-]nc43)ccc12 ZINC001608832417 1098037756 /nfs/dbraw/zinc/03/77/56/1098037756.db2.gz PIYIMQSYBQWZTN-UHFFFAOYSA-N -2 3 339.286 2.529 20 0 EFADHL O=C([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCC(F)F ZINC001608845945 1098042369 /nfs/dbraw/zinc/04/23/69/1098042369.db2.gz ZPMUKPPVJSDSKY-UHFFFAOYSA-N -2 3 348.154 2.625 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC[C@@H]23)c(F)cc1Cl ZINC001608860520 1098048099 /nfs/dbraw/zinc/04/80/99/1098048099.db2.gz OZEDFXVIVZLYOX-JOAULVNJSA-N -2 3 347.795 2.644 20 0 EFADHL O=C([O-])c1ccc(NC(=O)c2cnc(C3CC3)[n-]c2=O)cc1Cl ZINC001608902514 1098066581 /nfs/dbraw/zinc/06/65/81/1098066581.db2.gz HUPBZZLMPFOVEE-UHFFFAOYSA-N -2 3 333.731 2.664 20 0 EFADHL O=C([O-])c1cncc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)c1 ZINC001608983299 1098098174 /nfs/dbraw/zinc/09/81/74/1098098174.db2.gz ZGZUOHOOASFZTC-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)c1 ZINC001608990809 1098101039 /nfs/dbraw/zinc/10/10/39/1098101039.db2.gz QBIYMCWNKLFFFZ-UHFFFAOYSA-N -2 3 331.349 2.610 20 0 EFADHL CC(=Cc1cc(F)ccc1F)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060239 1098126135 /nfs/dbraw/zinc/12/61/35/1098126135.db2.gz FUCPXIRHDTZRFM-ALCCZGGFSA-N -2 3 330.298 2.509 20 0 EFADHL CC(=Cc1cc(F)ccc1F)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060239 1098126143 /nfs/dbraw/zinc/12/61/43/1098126143.db2.gz FUCPXIRHDTZRFM-ALCCZGGFSA-N -2 3 330.298 2.509 20 0 EFADHL CC(C)(CCC(=O)[O-])Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001609082807 1098135344 /nfs/dbraw/zinc/13/53/44/1098135344.db2.gz GAZRXMFWQICKCZ-UHFFFAOYSA-N -2 3 343.309 2.941 20 0 EFADHL CC(C)c1ncc(C=Cc2nc(C(=O)[O-])ccc2-c2nnn[n-]2)s1 ZINC001609106044 1098148406 /nfs/dbraw/zinc/14/84/06/1098148406.db2.gz IAOWJLIDRGYAJN-HYXAFXHYSA-N -2 3 342.384 2.710 20 0 EFADHL CC(C)c1ncc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[n-]n2)s1 ZINC001609106044 1098148409 /nfs/dbraw/zinc/14/84/09/1098148409.db2.gz IAOWJLIDRGYAJN-HYXAFXHYSA-N -2 3 342.384 2.710 20 0 EFADHL CSc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1C ZINC001609373300 1098273015 /nfs/dbraw/zinc/27/30/15/1098273015.db2.gz QENZSJOTMDTHGM-UHFFFAOYSA-N -2 3 341.396 2.855 20 0 EFADHL CC(C)[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001609690097 1098428648 /nfs/dbraw/zinc/42/86/48/1098428648.db2.gz PVJJAYYZTQXNKP-WDEREUQCSA-N -2 3 346.474 2.725 20 0 EFADHL CC[C@@](NC(=O)Cc1ccc([O-])c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001609928244 1098497225 /nfs/dbraw/zinc/49/72/25/1098497225.db2.gz NDJLIYUFXBBOFO-SFHVURJKSA-N -2 3 331.343 2.580 20 0 EFADHL CCc1ccc(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC001610060390 1098534941 /nfs/dbraw/zinc/53/49/41/1098534941.db2.gz PMZBQYNXRGKVNQ-OAHLLOKOSA-N -2 3 331.343 2.692 20 0 EFADHL CCc1cccc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1[O-] ZINC001610064867 1098536356 /nfs/dbraw/zinc/53/63/56/1098536356.db2.gz GOXFPMABYJUVFX-FQEVSTJZSA-N -2 3 339.391 2.823 20 0 EFADHL O=C([O-])c1cn(CC(=O)Nc2cccc([O-])c2F)c2ccccc12 ZINC001610676558 1098821849 /nfs/dbraw/zinc/82/18/49/1098821849.db2.gz AAUBCWBHHSEPEU-UHFFFAOYSA-N -2 3 328.299 2.823 20 0 EFADHL O=C([O-])c1ccc(Cl)c(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC001610887174 1098960045 /nfs/dbraw/zinc/96/00/45/1098960045.db2.gz REXNKJGMSGIFPY-WQLSENKSSA-N -2 3 342.738 2.761 20 0 EFADHL Cc1nc(-c2ccc(C(=O)Nc3c(C)nc(=O)[n-]c3[O-])s2)cs1 ZINC001635080829 1100642673 /nfs/dbraw/zinc/64/26/73/1100642673.db2.gz YUJZQXHWMVFJGV-UHFFFAOYSA-N -2 3 348.409 2.942 20 0 EFADHL O=C(Cc1ccc([O-])c(F)c1)Nc1c(=O)[nH][n-]c1-c1ccccc1 ZINC001641393928 1101132256 /nfs/dbraw/zinc/13/22/56/1101132256.db2.gz YXQHGGZSJBZLKN-UHFFFAOYSA-N -2 3 327.315 2.808 20 0 EFADHL O=P([O-])([O-])CCCCO[C@H]1Cc2cccc(Br)c2C1 ZINC001225019231 1104250493 /nfs/dbraw/zinc/25/04/93/1104250493.db2.gz UXEPBDYFAGLELW-NSHDSACASA-N -2 3 349.161 2.891 20 0 EFADHL Cc1nc(C=Cc2ccc3c(c2)C[C@H](C)O3)[n-]c(=O)c1CC(=O)[O-] ZINC000899371660 1109303346 /nfs/dbraw/zinc/30/33/46/1109303346.db2.gz JCBOBZWZNWNXBW-OAQKJQOQSA-N -2 3 326.352 2.612 20 0 EFADHL Cc1nc(C=Cc2ccc3c(c2)C[C@@H](C)O3)[n-]c(=O)c1CC(=O)[O-] ZINC000899371657 1109303397 /nfs/dbraw/zinc/30/33/97/1109303397.db2.gz JCBOBZWZNWNXBW-AYYIZTPMSA-N -2 3 326.352 2.612 20 0 EFADHL Cc1nc(C=Cc2ccc3c(c2)CCCO3)[n-]c(=O)c1CC(=O)[O-] ZINC000899372776 1109303672 /nfs/dbraw/zinc/30/36/72/1109303672.db2.gz PCHYBDYMSOYFJB-FNORWQNLSA-N -2 3 326.352 2.613 20 0 EFADHL Cc1nc(C=Cc2ccc3c(c2)C[C@@H](C)O3)[n-]c(=O)c1CC(=O)[O-] ZINC000899371659 1109303705 /nfs/dbraw/zinc/30/37/05/1109303705.db2.gz JCBOBZWZNWNXBW-DFVUYQKZSA-N -2 3 326.352 2.612 20 0 EFADHL Cc1nc(C=Cc2ccc3c(c2)C[C@H](C)O3)[n-]c(=O)c1CC(=O)[O-] ZINC000899371662 1109303780 /nfs/dbraw/zinc/30/37/80/1109303780.db2.gz JCBOBZWZNWNXBW-RWCYGVJQSA-N -2 3 326.352 2.612 20 0 EFADHL C[C@@H](OCCP(=O)([O-])[O-])c1cccc(Br)c1F ZINC001224603505 1109955680 /nfs/dbraw/zinc/95/56/80/1109955680.db2.gz ZFYNMMYAFIXSOP-SSDOTTSWSA-N -2 3 327.086 2.844 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)cc1 ZINC000058355185 214558696 /nfs/dbraw/zinc/55/86/96/214558696.db2.gz SIXRYEMGTMRCRS-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1 ZINC000047030364 213826969 /nfs/dbraw/zinc/82/69/69/213826969.db2.gz NHYWGKHXZWUKKR-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1cccc(Cl)c1[O-] ZINC000179724077 233368550 /nfs/dbraw/zinc/36/85/50/233368550.db2.gz RSOZKUAJYGSPIE-UHFFFAOYSA-N -2 3 335.791 2.987 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000037406151 213144297 /nfs/dbraw/zinc/14/42/97/213144297.db2.gz DAURGWSALZIODC-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000036838091 213122455 /nfs/dbraw/zinc/12/24/55/213122455.db2.gz YMMOYUNNHVCDEK-SNVBAGLBSA-N -2 3 326.201 2.525 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000036838287 213122299 /nfs/dbraw/zinc/12/22/99/213122299.db2.gz YWNSYYVEYSQXRE-SNVBAGLBSA-N -2 3 326.201 2.525 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1F ZINC000023716946 212391916 /nfs/dbraw/zinc/39/19/16/212391916.db2.gz FOCOFCPINIHKMF-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000229517597 242172607 /nfs/dbraw/zinc/17/26/07/242172607.db2.gz DYOMPUOTYUHFKW-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(C)C)C(=O)[O-])sc1Cl ZINC000231807630 242272279 /nfs/dbraw/zinc/27/22/79/242272279.db2.gz GVZSPZXPCUHRCJ-VIFPVBQESA-N -2 3 339.866 2.735 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c[nH]1 ZINC000020550763 212146466 /nfs/dbraw/zinc/14/64/66/212146466.db2.gz NFKKAHNRNSFVPM-UHFFFAOYSA-N -2 3 335.168 2.821 20 0 EFADHL CCOc1ccccc1C(F)(F)C(=O)[N-]Cc1ccc(C(=O)[O-])o1 ZINC000262819127 245195939 /nfs/dbraw/zinc/19/59/39/245195939.db2.gz VRXOGPKJXKXYOR-UHFFFAOYSA-N -2 3 339.294 2.785 20 0 EFADHL O=C([O-])[C@@]12CCC[C@H]1CN(C(=O)c1ccc3c(c1[O-])CCCC3)C2 ZINC000263468653 304167777 /nfs/dbraw/zinc/16/77/77/304167777.db2.gz XFMKEVGWSQYMGA-ORAYPTAESA-N -2 3 329.396 2.598 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3ncccc3c2)c1F ZINC000427291035 247334299 /nfs/dbraw/zinc/33/42/99/247334299.db2.gz YJYAEBPAXXHFHB-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL Cc1cccc2ncc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)n21 ZINC000443450600 250196628 /nfs/dbraw/zinc/19/66/28/250196628.db2.gz FBFDBJHKMLIRCS-SOFGYWHQSA-N -2 3 338.367 2.634 20 0 EFADHL Cc1nc(C=Cc2ccc3c(c2)ncn3C)[n-]c(=O)c1CCC(=O)[O-] ZINC000443455698 250196695 /nfs/dbraw/zinc/19/66/95/250196695.db2.gz SKYIPHHDBJTDDO-QPJJXVBHSA-N -2 3 338.367 2.565 20 0 EFADHL Cc1ccc(F)c(-c2cc(=NC(=O)c3c([O-])cccc3[O-])[nH][n-]2)c1 ZINC000444787288 250349705 /nfs/dbraw/zinc/34/97/05/250349705.db2.gz QUGKGTSZJQJTBT-UHFFFAOYSA-N -3 3 327.315 2.610 20 0 EFADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)CCOC(C)C ZINC000268535248 252003159 /nfs/dbraw/zinc/00/31/59/252003159.db2.gz BPKHGIVZAMHRIS-UHFFFAOYSA-N -2 3 335.809 2.513 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(C(=O)[O-])c1 ZINC000341402199 145046523 /nfs/dbraw/zinc/04/65/23/145046523.db2.gz LDUKQONKWCAKAT-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000342636496 145163728 /nfs/dbraw/zinc/16/37/28/145163728.db2.gz NOVRLZDIEWRGTP-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000342638649 145163745 /nfs/dbraw/zinc/16/37/45/145163745.db2.gz RBUSSAGMZOJYMU-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c(Cl)c1 ZINC000348905270 146022476 /nfs/dbraw/zinc/02/24/76/146022476.db2.gz BQEKEVMPACIIIJ-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000349013911 146037335 /nfs/dbraw/zinc/03/73/35/146037335.db2.gz ZLQSNMALGVCXQU-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL COC(=O)c1cccc2nc(NC(=O)c3c(F)ccc([O-])c3F)[n-]c21 ZINC000349094698 146051745 /nfs/dbraw/zinc/05/17/45/146051745.db2.gz NMAJFQXGVNAKOI-UHFFFAOYSA-N -2 3 347.277 2.586 20 0 EFADHL COC(=O)c1cccc2[n-]c(NC(=O)c3c(F)ccc([O-])c3F)nc21 ZINC000349094698 146051747 /nfs/dbraw/zinc/05/17/47/146051747.db2.gz NMAJFQXGVNAKOI-UHFFFAOYSA-N -2 3 347.277 2.586 20 0 EFADHL Cc1nc(C=Cc2cc(Cl)cc3c2OCC3)[n-]c(=O)c1CC(=O)[O-] ZINC000349105741 146053962 /nfs/dbraw/zinc/05/39/62/146053962.db2.gz HFQCDRHJLUMDKS-IHWYPQMZSA-N -2 3 346.770 2.876 20 0 EFADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000350730920 146084813 /nfs/dbraw/zinc/08/48/13/146084813.db2.gz WIWNQZZCGBSQFK-UHFFFAOYSA-N -2 3 333.365 2.511 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(C)c1C(=O)[O-] ZINC000350741655 146086294 /nfs/dbraw/zinc/08/62/94/146086294.db2.gz QOTSAIWZEYWOOD-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL CCC(=O)c1cccc(S(=O)(=O)[N-]c2cc([O-])cc(OC)c2)c1 ZINC000355809852 147071804 /nfs/dbraw/zinc/07/18/04/147071804.db2.gz KGVVZVHFIYLRLA-UHFFFAOYSA-N -2 3 335.381 2.794 20 0 EFADHL CCCc1nc(=NCc2ccc([O-])c(Br)c2)s[n-]1 ZINC000360065929 148263801 /nfs/dbraw/zinc/26/38/01/148263801.db2.gz LWVAOCKDQWHMBO-UHFFFAOYSA-N -2 3 328.235 2.993 20 0 EFADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000340449540 164559866 /nfs/dbraw/zinc/55/98/66/164559866.db2.gz CYCJMABOPVOOOG-SECBINFHSA-N -2 3 327.789 2.635 20 0 EFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000166674609 544852325 /nfs/dbraw/zinc/85/23/25/544852325.db2.gz CISLDVQNJCVSEH-UHFFFAOYSA-N -2 3 338.212 2.527 20 0 EFADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000281910323 273486235 /nfs/dbraw/zinc/48/62/35/273486235.db2.gz ZXWNAPFLECEQAY-GFCCVEGCSA-N -2 3 331.409 2.775 20 0 EFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000020302046 279002951 /nfs/dbraw/zinc/00/29/51/279002951.db2.gz RGIPFILQEBATTR-LLVKDONJSA-N -2 3 340.228 2.771 20 0 EFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000262642114 279002963 /nfs/dbraw/zinc/00/29/63/279002963.db2.gz PPIMIXNQCJTHDN-SNVBAGLBSA-N -2 3 340.228 2.771 20 0 EFADHL Cc1ccc(-n2[n-]c(C(=O)Nc3cccc([O-])c3F)cc2=O)cc1 ZINC000129759455 293143630 /nfs/dbraw/zinc/14/36/30/293143630.db2.gz GGCRAPXOCUWAAV-UHFFFAOYSA-N -2 3 327.315 2.571 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1Cl ZINC000131548026 293200180 /nfs/dbraw/zinc/20/01/80/293200180.db2.gz JGOJOPDRJXHKNR-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000131541699 293200289 /nfs/dbraw/zinc/20/02/89/293200289.db2.gz KCPYBKXEZAKOBG-UHFFFAOYSA-N -2 3 338.360 2.681 20 0 EFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1Cl ZINC000219473019 293603358 /nfs/dbraw/zinc/60/33/58/293603358.db2.gz AHLTUTNXNDKWMW-UHFFFAOYSA-N -2 3 333.724 2.880 20 0 EFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000290872803 294208891 /nfs/dbraw/zinc/20/88/91/294208891.db2.gz BCILMKYNTUGFQS-SSDOTTSWSA-N -2 3 345.364 2.545 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000342636004 295166767 /nfs/dbraw/zinc/16/67/67/295166767.db2.gz MSHCLUBUZWWGLA-UHFFFAOYSA-N -2 3 345.323 2.803 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccs1 ZINC000159595681 310688643 /nfs/dbraw/zinc/68/86/43/310688643.db2.gz WTAKVZOISGITRU-LLVKDONJSA-N -2 3 349.792 2.645 20 0 EFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1 ZINC000175018468 310769001 /nfs/dbraw/zinc/76/90/01/310769001.db2.gz GZHICFYCBGCWEB-UHFFFAOYSA-N -2 3 343.763 2.907 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1F ZINC000180024151 310794231 /nfs/dbraw/zinc/79/42/31/310794231.db2.gz VZUWRFUHOYPYAM-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000314781504 311233682 /nfs/dbraw/zinc/23/36/82/311233682.db2.gz TXYXQZZIYLHJQO-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000317539871 311236042 /nfs/dbraw/zinc/23/60/42/311236042.db2.gz LIABRZXUBRKMSI-PWSUYJOCSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c1 ZINC000318554919 311236519 /nfs/dbraw/zinc/23/65/19/311236519.db2.gz IIKBDTMJTPRMJX-LLVKDONJSA-N -2 3 331.409 2.692 20 0 EFADHL C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2cc(F)ccc2Cl)(C(=O)[O-])C1 ZINC000318314632 311236587 /nfs/dbraw/zinc/23/65/87/311236587.db2.gz VGHJAQVFYYPDOC-OTYXRUKQSA-N -2 3 349.811 2.791 20 0 EFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(F)cc(F)c2)CCCCC1 ZINC000320393506 311237748 /nfs/dbraw/zinc/23/77/48/311237748.db2.gz NGBWICADQQMAQW-UHFFFAOYSA-N -2 3 347.383 2.668 20 0 EFADHL COc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)ccc1C(=O)[O-] ZINC000323285497 311239972 /nfs/dbraw/zinc/23/99/72/311239972.db2.gz KBZMODNBKGEUHQ-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(C)c1O ZINC000323344239 311240191 /nfs/dbraw/zinc/24/01/91/311240191.db2.gz QIHCCSVEPVGQRC-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)CC(F)(F)F ZINC000402551164 311973654 /nfs/dbraw/zinc/97/36/54/311973654.db2.gz FFSGKHNSJGSURN-SSDOTTSWSA-N -2 3 345.364 2.703 20 0 EFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)CC(F)(F)F ZINC000402551166 311973666 /nfs/dbraw/zinc/97/36/66/311973666.db2.gz FFSGKHNSJGSURN-ZETCQYMHSA-N -2 3 345.364 2.703 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)(C)c1ccccc1 ZINC000516567684 315686570 /nfs/dbraw/zinc/68/65/70/315686570.db2.gz VWXKXLDZILOAIX-NSHDSACASA-N -2 3 337.397 2.622 20 0 EFADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)CCC(F)(F)CC1 ZINC000530151183 317063252 /nfs/dbraw/zinc/06/32/52/317063252.db2.gz IHDOOJRKRROBGH-UHFFFAOYSA-N -2 3 339.385 2.693 20 0 EFADHL O=C(NCc1ccc([O-])c(F)c1)c1cccc(Br)c1[O-] ZINC000537663010 317678891 /nfs/dbraw/zinc/67/88/91/317678891.db2.gz HOGYGJWEFGWWOA-UHFFFAOYSA-N -2 3 340.148 2.929 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C(=O)[O-])C1CC1 ZINC000547578339 318019814 /nfs/dbraw/zinc/01/98/14/318019814.db2.gz JGRXWHUHWMTRNH-LBPRGKRZSA-N -2 3 343.788 2.536 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c(F)cc1F ZINC000547608732 318021354 /nfs/dbraw/zinc/02/13/54/318021354.db2.gz KZMDQLCIIBPHID-MWLCHTKSSA-N -2 3 349.399 2.831 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2ccccc2o1)c1ccccc1F ZINC000548196007 318083890 /nfs/dbraw/zinc/08/38/90/318083890.db2.gz MDICHVZAHOTIIM-OAHLLOKOSA-N -2 3 349.339 2.676 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c(C)c1 ZINC000548241482 318086238 /nfs/dbraw/zinc/08/62/38/318086238.db2.gz XTXCYWQUKFIYCY-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])cc1F ZINC000548262370 318087260 /nfs/dbraw/zinc/08/72/60/318087260.db2.gz HBAJRIFPULEAGE-ONGXEEELSA-N -2 3 349.399 2.831 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548528328 318117784 /nfs/dbraw/zinc/11/77/84/318117784.db2.gz BCQHZVSMAHRRBA-GFCCVEGCSA-N -2 3 327.789 2.635 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)c1F ZINC000548550564 318119076 /nfs/dbraw/zinc/11/90/76/318119076.db2.gz CEIXJTDGMVQMPR-BZNIZROVSA-N -2 3 343.420 2.694 20 0 EFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000548554111 318119135 /nfs/dbraw/zinc/11/91/35/318119135.db2.gz LWDVTJBYNZUVKK-VIFPVBQESA-N -2 3 337.800 2.791 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C ZINC000548550388 318119151 /nfs/dbraw/zinc/11/91/51/318119151.db2.gz VHWUGANNRKTEFF-LLVKDONJSA-N -2 3 331.409 2.549 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)c1F ZINC000548550571 318119158 /nfs/dbraw/zinc/11/91/58/318119158.db2.gz CEIXJTDGMVQMPR-ZBEGNZNMSA-N -2 3 343.420 2.694 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C ZINC000548550390 318119176 /nfs/dbraw/zinc/11/91/76/318119176.db2.gz VHWUGANNRKTEFF-NSHDSACASA-N -2 3 331.409 2.549 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC(C)(C)C(=O)[O-] ZINC000548554240 318119209 /nfs/dbraw/zinc/11/92/09/318119209.db2.gz HQDMFNJTNUOSSJ-UHFFFAOYSA-N -2 3 345.804 2.784 20 0 EFADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(F)c(F)c2)(CC(=O)[O-])C1 ZINC000548557360 318119607 /nfs/dbraw/zinc/11/96/07/318119607.db2.gz YAUMHPZVVJWEOS-MEBBXXQBSA-N -2 3 347.383 2.524 20 0 EFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000548590300 318121210 /nfs/dbraw/zinc/12/12/10/318121210.db2.gz JRAUKYFQLFNLGB-LLVKDONJSA-N -2 3 337.800 2.647 20 0 EFADHL C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])C1 ZINC000548771486 318142188 /nfs/dbraw/zinc/14/21/88/318142188.db2.gz JZEDUFPTUFUFQH-OTYXRUKQSA-N -2 3 349.811 2.791 20 0 EFADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1OC ZINC000551371556 318206870 /nfs/dbraw/zinc/20/68/70/318206870.db2.gz ZBYBIXYRNCUKOS-UHFFFAOYSA-N -2 3 341.360 2.658 20 0 EFADHL O=C([O-])c1ccc(Br)c([N-]S(=O)(=O)c2ccoc2)c1 ZINC000551910847 318224641 /nfs/dbraw/zinc/22/46/41/318224641.db2.gz AKUPOXFJSXYAEE-UHFFFAOYSA-N -2 3 346.158 2.541 20 0 EFADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2ccc(Cl)s2)(C(=O)[O-])C1 ZINC000551914995 318225013 /nfs/dbraw/zinc/22/50/13/318225013.db2.gz GDHSPTVMKFSJOS-LBPRGKRZSA-N -2 3 337.850 2.713 20 0 EFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1c(F)c(F)cc(F)c1F ZINC000551948230 318228806 /nfs/dbraw/zinc/22/88/06/318228806.db2.gz LUHVEASOFPWFLV-UHFFFAOYSA-N -2 3 339.241 2.889 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c(F)cc1F ZINC000558862102 318494609 /nfs/dbraw/zinc/49/46/09/318494609.db2.gz FPEXPFGBSZSLBY-NSHDSACASA-N -2 3 349.399 2.689 20 0 EFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000562925471 318714021 /nfs/dbraw/zinc/71/40/21/318714021.db2.gz HFQOTWKDIAGSPD-SNVBAGLBSA-N -2 3 340.228 2.771 20 0 EFADHL CC[C@](C)([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1nccs1 ZINC000566007684 319023204 /nfs/dbraw/zinc/02/32/04/319023204.db2.gz NMKUNECCHGOZCE-LBPRGKRZSA-N -2 3 346.455 2.507 20 0 EFADHL CCc1cc(=O)[n-]c(CN2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)n1 ZINC000566510597 319085779 /nfs/dbraw/zinc/08/57/79/319085779.db2.gz WAKCQUXODIZJSC-GJZGRUSLSA-N -2 3 327.384 2.535 20 0 EFADHL O=C([O-])[C@H]1C[C@@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000567350095 319162809 /nfs/dbraw/zinc/16/28/09/319162809.db2.gz SBHSLJKPKVEVRB-WAAGHKOSSA-N -2 3 345.829 2.696 20 0 EFADHL CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000567796789 319212402 /nfs/dbraw/zinc/21/24/02/319212402.db2.gz HONMJODAICTGQS-DTWKUNHWSA-N -2 3 335.447 2.558 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C2CC(C)(c3ccccc3)C2)cc1C(=O)[O-] ZINC000568083432 319245253 /nfs/dbraw/zinc/24/52/53/319245253.db2.gz GNNJKCOQHQMOTM-UHFFFAOYSA-N -2 3 349.408 2.685 20 0 EFADHL CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000572599122 319686648 /nfs/dbraw/zinc/68/66/48/319686648.db2.gz OTAKZECVLZJWSQ-CYBMUJFWSA-N -2 3 337.397 2.586 20 0 EFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000573778322 319796683 /nfs/dbraw/zinc/79/66/83/319796683.db2.gz MFPLZJHRPACLOA-LLVKDONJSA-N -2 3 343.376 2.802 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)c1 ZINC000576396566 320011893 /nfs/dbraw/zinc/01/18/93/320011893.db2.gz FLNUKXMHHDLIJM-UHFFFAOYSA-N -2 3 349.408 2.983 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@@H](C)c1ccccc1 ZINC000576870263 320055874 /nfs/dbraw/zinc/05/58/74/320055874.db2.gz QFESJXVRGKFPPC-GHMZBOCLSA-N -2 3 339.438 2.917 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@@H](C)c1ccccc1 ZINC000576870264 320056107 /nfs/dbraw/zinc/05/61/07/320056107.db2.gz QFESJXVRGKFPPC-MNOVXSKESA-N -2 3 339.438 2.917 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000577105465 320078029 /nfs/dbraw/zinc/07/80/29/320078029.db2.gz JDRJFXHSILKVPY-OAHLLOKOSA-N -2 3 335.381 2.716 20 0 EFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000577583689 320123171 /nfs/dbraw/zinc/12/31/71/320123171.db2.gz FAFAJAIPDHFTRM-CYBMUJFWSA-N -2 3 339.388 2.757 20 0 EFADHL CC(C)(C)c1n[n-]c(CN=c2[n-]nc(Cc3ccccc3)s2)n1 ZINC000577707400 320135877 /nfs/dbraw/zinc/13/58/77/320135877.db2.gz GGYMKUXBMNAWJC-UHFFFAOYSA-N -2 3 328.445 2.579 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000578318251 320194572 /nfs/dbraw/zinc/19/45/72/320194572.db2.gz KSIVUGUBKPLCRB-TZMCWYRMSA-N -2 3 343.420 2.836 20 0 EFADHL COC1(CS(=O)(=O)[N-]c2c(C)ccc(F)c2C(=O)[O-])CCCC1 ZINC000578809598 320240976 /nfs/dbraw/zinc/24/09/76/320240976.db2.gz WVIJWTQMKOIBPJ-UHFFFAOYSA-N -2 3 345.392 2.533 20 0 EFADHL O=C(Nc1cccc([O-])c1F)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000181272991 323231488 /nfs/dbraw/zinc/23/14/88/323231488.db2.gz WFRSVWPVEFNZEH-UHFFFAOYSA-N -2 3 331.278 2.814 20 0 EFADHL Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000181738292 323247623 /nfs/dbraw/zinc/24/76/23/323247623.db2.gz UXBQVZRRRZFPSH-UHFFFAOYSA-N -2 3 341.408 2.801 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C(=O)[O-])C(C)C)sc1Cl ZINC000399728088 323796735 /nfs/dbraw/zinc/79/67/35/323796735.db2.gz KYGFCUCJVLWIEY-WPRPVWTQSA-N -2 3 339.866 2.734 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]CC2(c3ccccc3)CCC2)cc1C(=O)[O-] ZINC000580428623 324161846 /nfs/dbraw/zinc/16/18/46/324161846.db2.gz WRHSTMXOSFDLAD-UHFFFAOYSA-N -2 3 349.408 2.686 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000583201808 324760856 /nfs/dbraw/zinc/76/08/56/324760856.db2.gz NUHLOSBUFAWIQF-KBPBESRZSA-N -2 3 349.408 2.668 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000583319963 324787261 /nfs/dbraw/zinc/78/72/61/324787261.db2.gz RYJYTZDSJGUAMZ-UKRRQHHQSA-N -2 3 349.408 2.668 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1 ZINC000006328197 471541180 /nfs/dbraw/zinc/54/11/80/471541180.db2.gz KVZSYKOEHPKNBE-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000013340052 471826787 /nfs/dbraw/zinc/82/67/87/471826787.db2.gz NZXQZEJSTSFUBW-ZCFIWIBFSA-N -2 3 326.201 2.768 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2cccc(Cl)c2)c1 ZINC000013309725 471824851 /nfs/dbraw/zinc/82/48/51/471824851.db2.gz OVHOMJPUKQRJGQ-UHFFFAOYSA-N -2 3 345.829 2.621 20 0 EFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000020302229 471987982 /nfs/dbraw/zinc/98/79/82/471987982.db2.gz MXRBSFRNBRYOBA-CPCISQLKSA-N -2 3 340.228 2.771 20 0 EFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000035390716 471996624 /nfs/dbraw/zinc/99/66/24/471996624.db2.gz PTRFFJZJDDMWQG-JTQLQIEISA-N -2 3 340.228 2.771 20 0 EFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000035390695 471996652 /nfs/dbraw/zinc/99/66/52/471996652.db2.gz XZYSBGJHTKUZTE-SNVBAGLBSA-N -2 3 340.228 2.771 20 0 EFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCCC(=O)[O-])c1Cl ZINC000037406082 472011692 /nfs/dbraw/zinc/01/16/92/472011692.db2.gz WTXLFBNNHYJZRX-UHFFFAOYSA-N -2 3 340.228 2.753 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)[O-])c(C)c1 ZINC000055587059 472209791 /nfs/dbraw/zinc/20/97/91/472209791.db2.gz KKXUPIDTSXRYSU-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000085325902 472237327 /nfs/dbraw/zinc/23/73/27/472237327.db2.gz IZLZBKVRHJJEQF-MNOVXSKESA-N -2 3 338.212 2.525 20 0 EFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)CC(=O)[O-] ZINC000088273726 472354920 /nfs/dbraw/zinc/35/49/20/472354920.db2.gz IMBQEXBKJVOQDY-VIFPVBQESA-N -2 3 339.866 2.817 20 0 EFADHL CCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000031666077 472387398 /nfs/dbraw/zinc/38/73/98/472387398.db2.gz VOIANRRVHLFUES-UHFFFAOYSA-N -2 3 335.381 2.762 20 0 EFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)C1 ZINC000097062609 472430420 /nfs/dbraw/zinc/43/04/20/472430420.db2.gz HZCYIGPGRVIBHI-APPZFPTMSA-N -2 3 338.212 2.525 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000069848807 472450768 /nfs/dbraw/zinc/45/07/68/472450768.db2.gz ZDAJFBSLWLJDSQ-UHFFFAOYSA-N -2 3 335.381 2.649 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])c(C)c1 ZINC000089611959 472469329 /nfs/dbraw/zinc/46/93/29/472469329.db2.gz BLGIAXULFPYLOR-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1F ZINC000045947279 472488818 /nfs/dbraw/zinc/48/88/18/472488818.db2.gz NKPWREIIJKXJKH-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000129470429 472544799 /nfs/dbraw/zinc/54/47/99/472544799.db2.gz MNDDOTVWDPKVJH-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1cccs1 ZINC000129763194 472563601 /nfs/dbraw/zinc/56/36/01/472563601.db2.gz VDEYLCWBFIARSL-LLVKDONJSA-N -2 3 349.792 2.645 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccs1 ZINC000129769320 472563863 /nfs/dbraw/zinc/56/38/63/472563863.db2.gz QVLLWPMMOFMJCN-LLVKDONJSA-N -2 3 349.792 2.645 20 0 EFADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000063476401 472780148 /nfs/dbraw/zinc/78/01/48/472780148.db2.gz WGEQYLHRQFSFNW-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL CCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)c1 ZINC000047949031 472787797 /nfs/dbraw/zinc/78/77/97/472787797.db2.gz YUIHVUODZFGVNN-UHFFFAOYSA-N -2 3 335.381 2.757 20 0 EFADHL CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc(F)ccc1[O-])C(=O)C2 ZINC000133556950 472817651 /nfs/dbraw/zinc/81/76/51/472817651.db2.gz GUYURQIXKBBWII-QFYYESIMSA-N -2 3 341.404 2.668 20 0 EFADHL CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1cc([O-])cc(F)c1)C(=O)C2 ZINC000133631143 472825301 /nfs/dbraw/zinc/82/53/01/472825301.db2.gz CIBPIBAYTKSFEI-QFYYESIMSA-N -2 3 341.404 2.668 20 0 EFADHL Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000080241016 473002086 /nfs/dbraw/zinc/00/20/86/473002086.db2.gz GVQKXVYGYOTDBF-MRVPVSSYSA-N -2 3 345.467 2.726 20 0 EFADHL Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)ccc12 ZINC000093909277 473161752 /nfs/dbraw/zinc/16/17/52/473161752.db2.gz TXSWMCOGCSODGT-UHFFFAOYSA-N -2 3 345.380 2.679 20 0 EFADHL Cc1ccc(-c2cc(C(=O)Nc3cccc(OCC(=O)[O-])c3)n[n-]2)o1 ZINC000178198977 473474430 /nfs/dbraw/zinc/47/44/30/473474430.db2.gz XCCBMCRHJYYXPY-UHFFFAOYSA-N -2 3 341.323 2.694 20 0 EFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000262696429 473712420 /nfs/dbraw/zinc/71/24/20/473712420.db2.gz XOPUCICDXRWILE-RCOVLWMOSA-N -2 3 345.364 2.545 20 0 EFADHL O=C([O-])[C@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000263415917 473753270 /nfs/dbraw/zinc/75/32/70/473753270.db2.gz KADYHIUNOZANHR-INIZCTEOSA-N -2 3 339.391 2.920 20 0 EFADHL CC(C)Oc1c([N-]S(=O)(=O)CCC2CC2)cccc1C(=O)[O-] ZINC000282057553 473932726 /nfs/dbraw/zinc/93/27/26/473932726.db2.gz RXWUHWSMXCNUIY-UHFFFAOYSA-N -2 3 327.402 2.714 20 0 EFADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC(=O)[O-] ZINC000275025502 474046394 /nfs/dbraw/zinc/04/63/94/474046394.db2.gz PIOMPLMWGMNAJZ-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000274945427 474024518 /nfs/dbraw/zinc/02/45/18/474024518.db2.gz FRJGWBAPODVYLL-LBPRGKRZSA-N -2 3 349.836 2.516 20 0 EFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCC(=O)[O-])c1Cl ZINC000275084206 474064373 /nfs/dbraw/zinc/06/43/73/474064373.db2.gz ZIBZQMAZUFFKIE-QMMMGPOBSA-N -2 3 340.228 2.833 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC(=O)[O-] ZINC000275070205 474058812 /nfs/dbraw/zinc/05/88/12/474058812.db2.gz WMDVUXMBLXYESY-UHFFFAOYSA-N -2 3 340.228 2.773 20 0 EFADHL C[C@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC(=O)[O-] ZINC000275079077 474063043 /nfs/dbraw/zinc/06/30/43/474063043.db2.gz YFXSQEBAJBSVDV-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])n1 ZINC000226475814 474242968 /nfs/dbraw/zinc/24/29/68/474242968.db2.gz VRJGACZTOPHDFZ-MRVPVSSYSA-N -2 3 346.455 2.559 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2ccc([O-])c(NC(C)=O)c2)cc1 ZINC000175688928 474282451 /nfs/dbraw/zinc/28/24/51/474282451.db2.gz KQFBEAMYLOIUFI-UHFFFAOYSA-N -2 3 334.397 2.714 20 0 EFADHL COc1cc(OC)c(C(=O)[O-])cc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000629076000 480117157 /nfs/dbraw/zinc/11/71/57/480117157.db2.gz XPZRXLKUXULEGL-AATRIKPKSA-N -2 3 342.351 2.945 20 0 EFADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1ncsc1C(F)(F)F ZINC000278660065 474761355 /nfs/dbraw/zinc/76/13/55/474761355.db2.gz PEWAHOGPLHLTEJ-UHFFFAOYSA-N -2 3 331.201 2.551 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1CC(=O)[O-] ZINC000340910052 474769508 /nfs/dbraw/zinc/76/95/08/474769508.db2.gz DFWLMIHPBGRPKD-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC23CCCCC3)o1 ZINC000312991161 474853261 /nfs/dbraw/zinc/85/32/61/474853261.db2.gz RIPHTAMICZGCBQ-GFCCVEGCSA-N -2 3 327.402 2.759 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC23CCCCC3)o1 ZINC000312991163 474853750 /nfs/dbraw/zinc/85/37/50/474853750.db2.gz RIPHTAMICZGCBQ-LBPRGKRZSA-N -2 3 327.402 2.759 20 0 EFADHL C[C@H](CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000314953469 474867407 /nfs/dbraw/zinc/86/74/07/474867407.db2.gz CMKCKCMOFNPMPK-LLVKDONJSA-N -2 3 339.438 2.918 20 0 EFADHL C/C=C\c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000341070712 474941018 /nfs/dbraw/zinc/94/10/18/474941018.db2.gz WTJGKOKCEJVLFE-IHWYPQMZSA-N -2 3 347.392 2.984 20 0 EFADHL COc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1OCCC(=O)[O-] ZINC000339115972 474941515 /nfs/dbraw/zinc/94/15/15/474941515.db2.gz WFZQADSYJOBYAD-GQCTYLIASA-N -2 3 330.340 2.523 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000323828849 474954858 /nfs/dbraw/zinc/95/48/58/474954858.db2.gz QDWHEZBSHPRRON-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C([O-])CC[C@@H]1CCCN(C(=O)c2c[n-]c3ccccc3c2=O)C1 ZINC000324650833 474974886 /nfs/dbraw/zinc/97/48/86/474974886.db2.gz ZPZVMDOTZPDMDN-LBPRGKRZSA-N -2 3 328.368 2.657 20 0 EFADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000324900962 474979428 /nfs/dbraw/zinc/97/94/28/474979428.db2.gz VEJSBSVVAOMXHV-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000296829214 475494840 /nfs/dbraw/zinc/49/48/40/475494840.db2.gz AZLVVFHTLOWHAV-YPMHNXCESA-N -2 3 329.393 2.528 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2ccc3c(ccn3CC(=O)[O-])c2)c1 ZINC000345890610 475537426 /nfs/dbraw/zinc/53/74/26/475537426.db2.gz RSPWLKVZVKJSDG-UHFFFAOYSA-N -2 3 340.335 2.692 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(C)c1C(=O)[O-] ZINC000338124846 475606900 /nfs/dbraw/zinc/60/69/00/475606900.db2.gz CSXIWMUQQSMVJK-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL CCO[C@@H](C)c1ncc(C(=O)[N-]c2n[n-]c(-c3ccco3)n2)s1 ZINC000361623657 475607522 /nfs/dbraw/zinc/60/75/22/475607522.db2.gz VZUYWMARLFCYFJ-QMMMGPOBSA-N -2 3 333.373 2.871 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)c(C)c1C(=O)[O-] ZINC000338130533 475612099 /nfs/dbraw/zinc/61/20/99/475612099.db2.gz NAIRXCXBPNIOEO-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000342970179 475664120 /nfs/dbraw/zinc/66/41/20/475664120.db2.gz GYWPCWOXPXPELK-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000297260893 475679437 /nfs/dbraw/zinc/67/94/37/475679437.db2.gz RQPNNNANQZQSRA-SECBINFHSA-N -2 3 339.335 2.627 20 0 EFADHL Cc1ccc(-c2nc([N-]C(=O)c3coc(C4CCOCC4)n3)n[n-]2)o1 ZINC000338417571 475884013 /nfs/dbraw/zinc/88/40/13/475884013.db2.gz XTEORTNNRDWKAB-UHFFFAOYSA-N -2 3 343.343 2.507 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H](C)CCC(C)C)c1 ZINC000355474459 475969918 /nfs/dbraw/zinc/96/99/18/475969918.db2.gz QSODGHCAIRJFON-LLVKDONJSA-N -2 3 331.409 2.935 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(C)c1 ZINC000362131682 476020251 /nfs/dbraw/zinc/02/02/51/476020251.db2.gz YHDFMLVDJPSHOK-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000362230576 476095211 /nfs/dbraw/zinc/09/52/11/476095211.db2.gz XGQIUGYDNCVURA-MRVPVSSYSA-N -2 3 339.866 2.959 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c(F)c1 ZINC000362231766 476096724 /nfs/dbraw/zinc/09/67/24/476096724.db2.gz FKSHWVHXXILARB-GFCCVEGCSA-N -2 3 331.409 2.692 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(F)c1 ZINC000336867120 476149696 /nfs/dbraw/zinc/14/96/96/476149696.db2.gz KOUJGGRBNWKCRZ-UHFFFAOYSA-N -2 3 335.356 2.813 20 0 EFADHL Cc1coc2ccc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])cc12 ZINC000359089621 476178791 /nfs/dbraw/zinc/17/87/91/476178791.db2.gz YRQNCUJZPWLQDF-UHFFFAOYSA-N -3 3 347.348 2.946 20 0 EFADHL CCOc1cc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])ccc1C ZINC000340727188 476235746 /nfs/dbraw/zinc/23/57/46/476235746.db2.gz UFDCUQSVLWFZRN-UHFFFAOYSA-N -2 3 337.397 2.909 20 0 EFADHL O=S(=O)(CCCOCc1ccccc1)[N-]c1cc(F)ccc1[O-] ZINC000304397100 476284634 /nfs/dbraw/zinc/28/46/34/476284634.db2.gz VAQNAAFFNFBLNG-UHFFFAOYSA-N -2 3 339.388 2.880 20 0 EFADHL COc1cc([O-])cc(-c2nc3cc(OC)cc(OC)c3c(=O)[n-]2)c1 ZINC000362597390 476322876 /nfs/dbraw/zinc/32/28/76/476322876.db2.gz XBFJOGORGUHLST-UHFFFAOYSA-N -2 3 328.324 2.734 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)ccc1C(=O)[O-] ZINC000357383311 476352322 /nfs/dbraw/zinc/35/23/22/476352322.db2.gz OUNQKCVABUOPRW-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1ccc(-c2cc(=NC(=O)c3csc(=NC4CC4)[n-]3)[nH][n-]2)s1 ZINC000354024653 476373802 /nfs/dbraw/zinc/37/38/02/476373802.db2.gz SAKOAZSNJBVYJQ-UHFFFAOYSA-N -2 3 345.453 2.574 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)cc1C(=O)[O-] ZINC000357540174 476440069 /nfs/dbraw/zinc/44/00/69/476440069.db2.gz JSMYTQCUHRAEKQ-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL CCc1ccc([O-])c(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000354153918 476465822 /nfs/dbraw/zinc/46/58/22/476465822.db2.gz PLIGGMJPEYFWCM-UHFFFAOYSA-N -2 3 343.408 2.937 20 0 EFADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)ccc2O1 ZINC000357697176 476544400 /nfs/dbraw/zinc/54/44/00/476544400.db2.gz UDSCOBJDVPWROM-SNVBAGLBSA-N -2 3 333.365 2.509 20 0 EFADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000363184150 476596793 /nfs/dbraw/zinc/59/67/93/476596793.db2.gz PGBSZCAQMLYNDJ-UHFFFAOYSA-N -2 3 325.364 2.833 20 0 EFADHL C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2ccc(Cl)cc2F)(C(=O)[O-])C1 ZINC000385787093 476762533 /nfs/dbraw/zinc/76/25/33/476762533.db2.gz MWEUMWDFKOTZQL-OTYXRUKQSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(C(=O)[O-])c1 ZINC000392206857 476822676 /nfs/dbraw/zinc/82/26/76/476822676.db2.gz KYHZNZUBNDGQED-UHFFFAOYSA-N -2 3 347.392 2.737 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccccc2F)c(F)c1 ZINC000396537536 476847332 /nfs/dbraw/zinc/84/73/32/476847332.db2.gz QEAYAFJTVQORQE-UHFFFAOYSA-N -2 3 327.308 2.605 20 0 EFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000400393168 476889268 /nfs/dbraw/zinc/88/92/68/476889268.db2.gz NHGKCOAFYGHWMF-JGVFFNPUSA-N -2 3 325.839 2.569 20 0 EFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000401542599 476899478 /nfs/dbraw/zinc/89/94/78/476899478.db2.gz BXZJBAJRIJEXSG-VIFPVBQESA-N -2 3 337.800 2.647 20 0 EFADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)no1 ZINC000430975392 476956418 /nfs/dbraw/zinc/95/64/18/476956418.db2.gz MDSSLIWQMMHFGR-UHFFFAOYSA-N -2 3 338.385 2.612 20 0 EFADHL Cc1cscc1C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000447153760 476958846 /nfs/dbraw/zinc/95/88/46/476958846.db2.gz GIPCFBGEQNWIBK-UHFFFAOYSA-N -2 3 343.401 2.681 20 0 EFADHL Cc1cc2cc[nH]c2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000436166927 477433277 /nfs/dbraw/zinc/43/32/77/477433277.db2.gz DZLDWBVLCORJIR-UHFFFAOYSA-N -3 3 346.364 2.681 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)C[C@H](C)c1ccccc1 ZINC000436477332 477487340 /nfs/dbraw/zinc/48/73/40/477487340.db2.gz LDOUOGATYNBKNS-LBPRGKRZSA-N -2 3 349.408 2.724 20 0 EFADHL Cc1ccc(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)[O-])c([O-])c1 ZINC000436646559 477543831 /nfs/dbraw/zinc/54/38/31/477543831.db2.gz HGGFPOKUZIEFAD-ZDUSSCGKSA-N -2 3 331.343 2.513 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2[O-])c([O-])c1 ZINC000436710948 477567015 /nfs/dbraw/zinc/56/70/15/477567015.db2.gz BKHCGAMGFJGKLZ-UHFFFAOYSA-N -2 3 331.324 2.535 20 0 EFADHL Cn1[n-]c(=NC(=O)c2cc3ccccc3cc2[O-])cc1OC(F)F ZINC000436735277 477574902 /nfs/dbraw/zinc/57/49/02/477574902.db2.gz CFBSDTCCOOAKOX-UHFFFAOYSA-N -2 3 333.294 2.555 20 0 EFADHL O=C(c1cc2ccccc2cc1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000436792970 477590592 /nfs/dbraw/zinc/59/05/92/477590592.db2.gz PYTBMHTYUYQOEX-UHFFFAOYSA-N -2 3 339.351 2.654 20 0 EFADHL CCOC(=O)c1sc2[n-]c(-c3ccc([O-])cn3)nc(=O)c2c1C ZINC000427464334 477774558 /nfs/dbraw/zinc/77/45/58/477774558.db2.gz INICATSGDZTPFX-UHFFFAOYSA-N -2 3 331.353 2.650 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1C(=O)[O-] ZINC000438712923 477878963 /nfs/dbraw/zinc/87/89/63/477878963.db2.gz CBNUYMKUAVWQQC-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL C=Cc1ccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)cc1 ZINC000461887204 477887308 /nfs/dbraw/zinc/88/73/08/477887308.db2.gz DVCYMWBJJUDZLC-UHFFFAOYSA-N -2 3 349.383 2.688 20 0 EFADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000421157050 477986842 /nfs/dbraw/zinc/98/68/42/477986842.db2.gz RBCNRSMHAIMQMJ-LLVKDONJSA-N -2 3 349.836 2.841 20 0 EFADHL CC(C)[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccoc2)(C(=O)[O-])c2ccccc21 ZINC000560418794 478072766 /nfs/dbraw/zinc/07/27/66/478072766.db2.gz IQLDUINNLYFTJL-YOEHRIQHSA-N -2 3 349.408 2.681 20 0 EFADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])C1 ZINC000560418403 478072839 /nfs/dbraw/zinc/07/28/39/478072839.db2.gz SJOLFGWJYVXDCI-CQSZACIVSA-N -2 3 349.811 2.791 20 0 EFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000560492753 478095963 /nfs/dbraw/zinc/09/59/63/478095963.db2.gz BSSDNHSGNPWWQZ-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1ccc(C(=O)OCC)cc1[O-] ZINC000562440888 478249512 /nfs/dbraw/zinc/24/95/12/478249512.db2.gz XKFDMYXMIGYUBZ-GFCCVEGCSA-N -2 3 329.418 2.889 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCC1(C)CC1 ZINC000570157554 478296693 /nfs/dbraw/zinc/29/66/93/478296693.db2.gz ACEJIKVSXWXPDR-UHFFFAOYSA-N -2 3 347.820 2.515 20 0 EFADHL CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000520575515 478325988 /nfs/dbraw/zinc/32/59/88/478325988.db2.gz QTUCPKHVSXNMOW-CYBMUJFWSA-N -2 3 337.397 2.668 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C[C@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000581820591 478443948 /nfs/dbraw/zinc/44/39/48/478443948.db2.gz NDDPCZSYXOYERZ-CYBMUJFWSA-N -2 3 349.408 2.685 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])c(C)c1 ZINC000543663007 478764566 /nfs/dbraw/zinc/76/45/66/478764566.db2.gz OQHCRTFQAOTINH-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL COc1ccc([O-])c(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)c1 ZINC000500854540 478796631 /nfs/dbraw/zinc/79/66/31/478796631.db2.gz AIKNKGUQAMKQGL-UHFFFAOYSA-N -2 3 329.381 2.835 20 0 EFADHL C[C@@H]1CCN(Cc2cccc([O-])c2Br)C[C@H]1C(=O)[O-] ZINC000564970614 478872713 /nfs/dbraw/zinc/87/27/13/478872713.db2.gz GIOPFCBWQMTXKR-MWLCHTKSSA-N -2 3 328.206 2.697 20 0 EFADHL C[C@@H]1CCN(Cc2cccc([O-])c2Br)C[C@@H]1C(=O)[O-] ZINC000564970612 478873433 /nfs/dbraw/zinc/87/34/33/478873433.db2.gz GIOPFCBWQMTXKR-KOLCDFICSA-N -2 3 328.206 2.697 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2C)cc1C(=O)[O-] ZINC000584111215 479017941 /nfs/dbraw/zinc/01/79/41/479017941.db2.gz RAOQFIBGPVZLKZ-MGPLVRAMSA-N -2 3 349.408 2.888 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@@H](C)C(=O)[O-] ZINC000565702226 479063993 /nfs/dbraw/zinc/06/39/93/479063993.db2.gz RFVTYXZKKANFPI-HTQZYQBOSA-N -2 3 347.845 2.942 20 0 EFADHL CCS[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)C1 ZINC000596086809 479130768 /nfs/dbraw/zinc/13/07/68/479130768.db2.gz BIJUAOYYJAGLHY-GHMZBOCLSA-N -2 3 347.458 2.629 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000569807411 479181955 /nfs/dbraw/zinc/18/19/55/479181955.db2.gz GAMMEEPNTWQZQK-KBPBESRZSA-N -2 3 349.408 2.668 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H](Cc3ccccc3)C2)o1 ZINC000569807414 479182294 /nfs/dbraw/zinc/18/22/94/479182294.db2.gz GAMMEEPNTWQZQK-UONOGXRCSA-N -2 3 349.408 2.668 20 0 EFADHL COC(=O)C1(CS(=O)(=O)[N-]c2cccc(C)c2[O-])CCCCC1 ZINC000589964913 479587568 /nfs/dbraw/zinc/58/75/68/479587568.db2.gz DSDXUSKYSICWAX-UHFFFAOYSA-N -2 3 341.429 2.566 20 0 EFADHL COc1ccc([O-])c(C(=O)N2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])c1 ZINC000621583840 479708488 /nfs/dbraw/zinc/70/84/88/479708488.db2.gz WPVHGJASZRGDHU-CZUORRHYSA-N -2 3 347.411 2.896 20 0 EFADHL COC(=O)c1cc(C(=O)[N-]c2cc(Cl)cc(Cl)c2[O-])on1 ZINC000612774482 479757303 /nfs/dbraw/zinc/75/73/03/479757303.db2.gz HZBKQSYWOCPQSG-UHFFFAOYSA-N -2 3 331.111 2.726 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])c(F)c1F ZINC000629296062 480205205 /nfs/dbraw/zinc/20/52/05/480205205.db2.gz DDUAVARGGMFFBY-IAQYHMDHSA-N -2 3 347.383 2.585 20 0 EFADHL C[C@H]1CN(Cc2cccc([O-])c2Br)CC[C@H]1C(=O)[O-] ZINC000629773294 480398500 /nfs/dbraw/zinc/39/85/00/480398500.db2.gz OABPJFAXSIUJKP-GXSJLCMTSA-N -2 3 328.206 2.697 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2c2ccccc2)o1 ZINC000634653434 480401086 /nfs/dbraw/zinc/40/10/86/480401086.db2.gz VKOQVZNXYAEYDP-CHWSQXEVSA-N -2 3 335.381 2.592 20 0 EFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)c1cccs1 ZINC000650238553 480953550 /nfs/dbraw/zinc/95/35/50/480953550.db2.gz HSCBJOGERININJ-JTQLQIEISA-N -2 3 347.364 2.521 20 0 EFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000645952980 480987453 /nfs/dbraw/zinc/98/74/53/480987453.db2.gz POXIMYZDQVFYEH-CYBMUJFWSA-N -2 3 337.397 2.696 20 0 EFADHL COc1ccc([O-])c([N-]S(=O)(=O)[C@@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000641686094 481007726 /nfs/dbraw/zinc/00/77/26/481007726.db2.gz QSRORRURPKKYHO-XJKSGUPXSA-N -2 3 337.372 2.838 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1c([O-])cccc1Cl)C1CCCC1 ZINC000641687118 481008552 /nfs/dbraw/zinc/00/85/52/481008552.db2.gz HVMCYQBSJLWEES-CYBMUJFWSA-N -2 3 333.837 2.993 20 0 EFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@H](CC3CC3)C(=O)[O-])sc21 ZINC000646034049 481030298 /nfs/dbraw/zinc/03/02/98/481030298.db2.gz ZMRHFKGKOPGSTL-GFCCVEGCSA-N -2 3 339.438 2.741 20 0 EFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000650425360 481089360 /nfs/dbraw/zinc/08/93/60/481089360.db2.gz DQZXZCAEJSFAHZ-ZETCQYMHSA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])C[C@@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000650507055 481143086 /nfs/dbraw/zinc/14/30/86/481143086.db2.gz DKQDPOFURKNKNK-NSHDSACASA-N -2 3 341.367 2.911 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1C(=O)[O-] ZINC000647919589 481182350 /nfs/dbraw/zinc/18/23/50/481182350.db2.gz FWEPBBCTYKDHGK-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc(C)c1[O-] ZINC000643269551 481378747 /nfs/dbraw/zinc/37/87/47/481378747.db2.gz XWSCREWJZLUOBW-OAHLLOKOSA-N -2 3 335.425 2.700 20 0 EFADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC000663114627 482076412 /nfs/dbraw/zinc/07/64/12/482076412.db2.gz HQFOXOGIPMMWDB-CYBMUJFWSA-N -2 3 328.162 2.594 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C1CCCCC1 ZINC000663422752 482224679 /nfs/dbraw/zinc/22/46/79/482224679.db2.gz LFZLZBXZGLIELD-GFCCVEGCSA-N -2 3 329.418 2.923 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CC(C)(C)c3ccccc32)oc1C(=O)[O-] ZINC000663422572 482224759 /nfs/dbraw/zinc/22/47/59/482224759.db2.gz LPIUHUFXUOOFOK-ZDUSSCGKSA-N -2 3 349.408 2.987 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@]2(c3ccccc3)CC2(C)C)cc1C(=O)[O-] ZINC000663435025 482233631 /nfs/dbraw/zinc/23/36/31/482233631.db2.gz NXDDEWSADVJZBL-QGZVFWFLSA-N -2 3 349.408 2.890 20 0 EFADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000131902074 533829440 /nfs/dbraw/zinc/82/94/40/533829440.db2.gz IDXUIRGEGMBGFW-MRVPVSSYSA-N -2 3 340.228 2.915 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1[O-] ZINC000120383392 519708082 /nfs/dbraw/zinc/70/80/82/519708082.db2.gz YKCIRZHKMXZPSW-UHFFFAOYSA-N -2 3 340.788 2.805 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)c(F)c1 ZINC000238199131 526381697 /nfs/dbraw/zinc/38/16/97/526381697.db2.gz AGQOFVBJKMRTCT-HNNXBMFYSA-N -2 3 349.383 2.880 20 0 EFADHL CCCCN(C)S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000174731418 528367311 /nfs/dbraw/zinc/36/73/11/528367311.db2.gz YBXATIIGDKMZQN-UHFFFAOYSA-N -2 3 326.340 2.800 20 0 EFADHL CCCCn1ncc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1C ZINC000342782157 535179011 /nfs/dbraw/zinc/17/90/11/535179011.db2.gz PGMAFDHOGLBAFX-UHFFFAOYSA-N -2 3 339.417 2.507 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000360535409 535706665 /nfs/dbraw/zinc/70/66/65/535706665.db2.gz OXVOYIAOPWIPQM-NSHDSACASA-N -2 3 345.804 2.926 20 0 EFADHL CCn1cc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1C(=O)[O-] ZINC000318067065 545812721 /nfs/dbraw/zinc/81/27/21/545812721.db2.gz HKGCKLZNQXFXCV-UHFFFAOYSA-N -2 3 346.767 2.800 20 0 EFADHL Cc1c[nH]c(=O)n1-c1cccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)c1 ZINC000351862189 546044805 /nfs/dbraw/zinc/04/48/05/546044805.db2.gz OIZYTQMWTLJSIC-UHFFFAOYSA-N -2 3 334.335 2.908 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(NC[C@@H](C(=O)[O-])C(C)C)nc2)n1 ZINC000656091347 546676066 /nfs/dbraw/zinc/67/60/66/546676066.db2.gz ABDUSMCJOHRJRX-CYBMUJFWSA-N -2 3 330.388 2.575 20 0 EFADHL C[C@@H](CC(F)(F)F)CS(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000656510149 546825326 /nfs/dbraw/zinc/82/53/26/546825326.db2.gz ICRPWVGLMYZBBI-ZETCQYMHSA-N -2 3 343.298 2.854 20 0 EFADHL CC(C)[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1F ZINC000656720024 546900511 /nfs/dbraw/zinc/90/05/11/546900511.db2.gz KGRDJIHXMCHYFF-CQSZACIVSA-N -2 3 341.360 2.793 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CC[C@@H]2c2ccccc2)c1 ZINC000656728997 546902614 /nfs/dbraw/zinc/90/26/14/546902614.db2.gz RQOZTYJFVXJJNU-CHWSQXEVSA-N -2 3 337.422 2.671 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)c1 ZINC000657144222 547044004 /nfs/dbraw/zinc/04/40/04/547044004.db2.gz FMDPSDUGJWOSDE-MNOVXSKESA-N -2 3 331.459 2.614 20 0 EFADHL COc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OC(F)F ZINC000670370181 547474010 /nfs/dbraw/zinc/47/40/10/547474010.db2.gz JVJBJIPOTINUMM-HYXAFXHYSA-N -2 3 338.266 2.661 20 0 EFADHL O=C([O-])c1cnc(C=Cc2cc(Br)cs2)[n-]c1=O ZINC000670369862 547474051 /nfs/dbraw/zinc/47/40/51/547474051.db2.gz GXRSMCLZDLSCQU-UPHRSURJSA-N -2 3 327.159 2.875 20 0 EFADHL CC[C@](C)(NC(=O)Nc1ccc(-c2cc(=O)[n-]c(C)n2)cc1)C(=O)[O-] ZINC000683920522 549964415 /nfs/dbraw/zinc/96/44/15/549964415.db2.gz DLVDMIPSOGGLKJ-KRWDZBQOSA-N -2 3 344.371 2.532 20 0 EFADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)CCCC(=O)[O-])c2)n1 ZINC000753976391 575369795 /nfs/dbraw/zinc/36/97/95/575369795.db2.gz MHMGMAWXZROBKH-UHFFFAOYSA-N -2 3 329.356 2.605 20 0 EFADHL Cc1cc([O-])ccc1C(=O)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000758548974 575872340 /nfs/dbraw/zinc/87/23/40/575872340.db2.gz YJRORRROYNXGPB-UHFFFAOYSA-N -2 3 326.304 2.870 20 0 EFADHL CCCCC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761234566 576133836 /nfs/dbraw/zinc/13/38/36/576133836.db2.gz MSMVCKCVWICQKB-VIFPVBQESA-N -2 3 335.372 2.910 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCC(C)C)cc1C(=O)[O-] ZINC000761238228 576134814 /nfs/dbraw/zinc/13/48/14/576134814.db2.gz NOCAMHHFMPGNLU-LLVKDONJSA-N -2 3 331.409 2.935 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCC2CCCC2)c(F)cc1F ZINC000761260323 576137197 /nfs/dbraw/zinc/13/71/97/576137197.db2.gz UJXZPUDWGFUNTR-UHFFFAOYSA-N -2 3 347.383 2.912 20 0 EFADHL COCc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000766571053 577167392 /nfs/dbraw/zinc/16/73/92/577167392.db2.gz GPQMMITWXVDWGH-UHFFFAOYSA-N -2 3 349.408 2.949 20 0 EFADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000768047145 577251211 /nfs/dbraw/zinc/25/12/11/577251211.db2.gz OQDUYYBGFYVOOP-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc2c(cc1[O-])OCO2 ZINC000769244359 577346710 /nfs/dbraw/zinc/34/67/10/577346710.db2.gz PKCCLSRJUMHMCA-UHFFFAOYSA-N -2 3 330.321 2.803 20 0 EFADHL Cc1nc(-c2ccc(NC(=O)NCCCCC(=O)[O-])cc2)cc(=O)[n-]1 ZINC000821153294 598164989 /nfs/dbraw/zinc/16/49/89/598164989.db2.gz QRGWQZSHVSJIEN-UHFFFAOYSA-N -2 3 344.371 2.534 20 0 EFADHL O=C([O-])[C@H]1CCN(C(=O)c2cc(CCc3ccccc3)ccc2[O-])C1 ZINC000739594431 599740704 /nfs/dbraw/zinc/74/07/04/599740704.db2.gz UTHRSRZTEDMUBX-INIZCTEOSA-N -2 3 339.391 2.724 20 0 EFADHL O=C([O-])CCCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000739671151 599741621 /nfs/dbraw/zinc/74/16/21/599741621.db2.gz VMHUBEOECBMNEB-UHFFFAOYSA-N -2 3 327.380 2.968 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc3ccccc32)o1 ZINC000390324467 599775696 /nfs/dbraw/zinc/77/56/96/599775696.db2.gz BGDSJGNZIQWYFL-UHFFFAOYSA-N -2 3 331.349 2.610 20 0 EFADHL O=C([O-])c1coc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)c1 ZINC000740270030 599846178 /nfs/dbraw/zinc/84/61/78/599846178.db2.gz VETQNYZZEOJDQH-UHFFFAOYSA-N -2 3 329.352 2.778 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC000736513202 599859316 /nfs/dbraw/zinc/85/93/16/599859316.db2.gz RYKZZGOQEBHAOX-MRXNPFEDSA-N -2 3 327.380 2.941 20 0 EFADHL O=C([O-])Nc1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc1F ZINC000740012628 600092122 /nfs/dbraw/zinc/09/21/22/600092122.db2.gz PGUGWHVWVDOZPH-XYOKQWHBSA-N -2 3 341.298 2.639 20 0 EFADHL O=C([O-])Nc1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc1F ZINC000740012627 600092213 /nfs/dbraw/zinc/09/22/13/600092213.db2.gz PGUGWHVWVDOZPH-WQLSENKSSA-N -2 3 341.298 2.639 20 0 EFADHL CCN(CC(=O)[O-])Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000737076365 600101924 /nfs/dbraw/zinc/10/19/24/600101924.db2.gz YMAJGWVJUPUJNZ-UHFFFAOYSA-N -2 3 333.369 2.563 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000738041844 600283933 /nfs/dbraw/zinc/28/39/33/600283933.db2.gz NEJMZYRGNSHFMX-UHFFFAOYSA-N -2 3 330.340 2.763 20 0 EFADHL O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1Cl ZINC000740318306 600482892 /nfs/dbraw/zinc/48/28/92/600482892.db2.gz ZOZVNVTUEVDKPC-MDWZMJQESA-N -2 3 342.738 2.761 20 0 EFADHL COC(=O)Nc1ccc(C(=O)OCc2cc(C(=O)[O-])c(C)o2)cc1[O-] ZINC000831209649 600729030 /nfs/dbraw/zinc/72/90/30/600729030.db2.gz FECQOUYOHQABQC-UHFFFAOYSA-N -2 3 349.295 2.527 20 0 EFADHL CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320226245 600993075 /nfs/dbraw/zinc/99/30/75/600993075.db2.gz UNKDPDBPXSXYPW-ONGXEEELSA-N -2 3 347.383 2.910 20 0 EFADHL CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320226242 600993117 /nfs/dbraw/zinc/99/31/17/600993117.db2.gz UNKDPDBPXSXYPW-KOLCDFICSA-N -2 3 347.383 2.910 20 0 EFADHL O=C([O-])[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1F ZINC000833352764 601099123 /nfs/dbraw/zinc/09/91/23/601099123.db2.gz ZGDGPBQDFFHIOO-CQSZACIVSA-N -2 3 330.271 2.792 20 0 EFADHL O=C([O-])[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1F ZINC000833352764 601099127 /nfs/dbraw/zinc/09/91/27/601099127.db2.gz ZGDGPBQDFFHIOO-CQSZACIVSA-N -2 3 330.271 2.792 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)cc1C(=O)[O-] ZINC000833027045 601213964 /nfs/dbraw/zinc/21/39/64/601213964.db2.gz AJXRMCVUNHGVQC-UHFFFAOYSA-N -2 3 339.413 2.533 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000833028738 601214906 /nfs/dbraw/zinc/21/49/06/601214906.db2.gz PRBNGAAFDUWZCA-ZETCQYMHSA-N -2 3 345.323 2.604 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]Cc2coc3ccccc23)cc1C(=O)[O-] ZINC000833027488 601222431 /nfs/dbraw/zinc/22/24/31/601222431.db2.gz UVACHQAPKDIFDO-UHFFFAOYSA-N -2 3 335.337 2.511 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)cc1C(=O)[O-] ZINC000833028406 601223579 /nfs/dbraw/zinc/22/35/79/601223579.db2.gz NKQUTLYNHKZJGC-CHWSQXEVSA-N -2 3 327.402 2.533 20 0 EFADHL C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000314155973 601227885 /nfs/dbraw/zinc/22/78/85/601227885.db2.gz JKHBJKYHCCYOEW-PSASIEDQSA-N -2 3 333.356 2.520 20 0 EFADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000314548094 601229894 /nfs/dbraw/zinc/22/98/94/601229894.db2.gz VBPVPYCBAPEADM-DTWKUNHWSA-N -2 3 333.356 2.520 20 0 EFADHL C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320588641 601232250 /nfs/dbraw/zinc/23/22/50/601232250.db2.gz WLZHBBPTLBRIQQ-UWVGGRQHSA-N -2 3 347.383 2.768 20 0 EFADHL CC1([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCCC1 ZINC000315483787 601232446 /nfs/dbraw/zinc/23/24/46/601232446.db2.gz VYJTVAKTQWOIJP-UHFFFAOYSA-N -2 3 333.356 2.664 20 0 EFADHL CCC(CC)(CC)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000387974595 601238117 /nfs/dbraw/zinc/23/81/17/601238117.db2.gz MTSSGRQOWBHIID-UHFFFAOYSA-N -2 3 335.372 2.910 20 0 EFADHL O=C([O-])c1nc(Cl)ccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000833345040 601383283 /nfs/dbraw/zinc/38/32/83/601383283.db2.gz OQSPNTOVZNLOEN-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000316454156 601443318 /nfs/dbraw/zinc/44/33/18/601443318.db2.gz ONFSTEISXXVUNE-JTQLQIEISA-N -2 3 333.356 2.520 20 0 EFADHL COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(Cl)cc2)c([O-])c1 ZINC000832169693 601586287 /nfs/dbraw/zinc/58/62/87/601586287.db2.gz CMUTXXUPBPMRRQ-CQSZACIVSA-N -2 3 335.743 2.610 20 0 EFADHL O=C([O-])[C@@]1(F)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000833354428 601759656 /nfs/dbraw/zinc/75/96/56/601759656.db2.gz UTZMAHSJWYFCII-LJQANCHMSA-N -2 3 343.354 2.622 20 0 EFADHL C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000828386938 601801152 /nfs/dbraw/zinc/80/11/52/601801152.db2.gz OYTDCPZWIRNRCS-SUMWQHHRSA-N -2 3 339.391 2.776 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2F)cc(F)c1F ZINC000080307865 601829960 /nfs/dbraw/zinc/82/99/60/601829960.db2.gz VRZUVOXZSXSFML-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc(F)c1F ZINC000080307931 601830020 /nfs/dbraw/zinc/83/00/20/601830020.db2.gz UXNRGWYWOHVHNO-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c(F)c1 ZINC000751142354 601831235 /nfs/dbraw/zinc/83/12/35/601831235.db2.gz NYBCQRHKWLSBJO-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000833295227 601855276 /nfs/dbraw/zinc/85/52/76/601855276.db2.gz SGPUQTSZRZOKGC-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Oc1ccc(NC(=O)[O-])cc1 ZINC000829777396 603496742 /nfs/dbraw/zinc/49/67/42/603496742.db2.gz ADOWGCGJFGLKPK-UHFFFAOYSA-N -2 3 335.341 2.522 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])c(F)c2)c([O-])c1 ZINC000829881740 604277449 /nfs/dbraw/zinc/27/74/49/604277449.db2.gz WYQKORNZXOZNCB-UHFFFAOYSA-N -2 3 347.298 2.659 20 0 EFADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000833418064 604986585 /nfs/dbraw/zinc/98/65/85/604986585.db2.gz XLAZUHWVKIRFSJ-GFCCVEGCSA-N -2 3 338.379 2.564 20 0 EFADHL CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833605868 605017359 /nfs/dbraw/zinc/01/73/59/605017359.db2.gz LYKXJESGLNOKIQ-MXWKQRLJSA-N -2 3 346.474 2.580 20 0 EFADHL CC(C)CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833481471 605024834 /nfs/dbraw/zinc/02/48/34/605024834.db2.gz VCTCUJDTRYZEAV-WDEREUQCSA-N -2 3 346.474 2.725 20 0 EFADHL CC(C)c1csc(C[N-]S(=O)(=O)c2ccsc2C(=O)[O-])n1 ZINC000833511155 605048217 /nfs/dbraw/zinc/04/82/17/605048217.db2.gz CSGDGVOHDYQBRS-UHFFFAOYSA-N -2 3 346.455 2.505 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000833733290 605168847 /nfs/dbraw/zinc/16/88/47/605168847.db2.gz MGPMGKWIURFJTO-UHFFFAOYSA-N -2 3 341.772 2.848 20 0 EFADHL CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833424598 605193604 /nfs/dbraw/zinc/19/36/04/605193604.db2.gz KQWCKHQAJYJNMO-VXGBXAGGSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)c1nc(C=Cc2ccccc2-c2nnn[n-]2)ncc1C(=O)[O-] ZINC000824358274 607884577 /nfs/dbraw/zinc/88/45/77/607884577.db2.gz FMSRSVVMMVWZBY-BQYQJAHWSA-N -2 3 336.355 2.649 20 0 EFADHL CC(C)c1nc(C=Cc2ccccc2-c2nn[n-]n2)ncc1C(=O)[O-] ZINC000824358274 607884578 /nfs/dbraw/zinc/88/45/78/607884578.db2.gz FMSRSVVMMVWZBY-BQYQJAHWSA-N -2 3 336.355 2.649 20 0 EFADHL CC(F)(F)CC[N-]S(=O)(=O)c1cc(F)c(Cl)c(C(=O)[O-])c1 ZINC000379310118 1267497698 /nfs/dbraw/zinc/49/76/98/1267497698.db2.gz ZJKAAIVFGQFNPE-UHFFFAOYSA-N -2 3 345.726 2.501 20 0 EFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000785724599 1275156280 /nfs/dbraw/zinc/15/62/80/1275156280.db2.gz FINXVSGEKKQXRG-NXEZZACHSA-N -2 3 347.383 2.910 20 0 EFADHL CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000821177402 1277478595 /nfs/dbraw/zinc/47/85/95/1277478595.db2.gz CRPBNAVYDQQTNP-LBPRGKRZSA-N -2 3 349.836 2.828 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(N)c(Cl)c1 ZINC001174981321 1287287397 /nfs/dbraw/zinc/28/73/97/1287287397.db2.gz ADVIDONDLNZCHC-UHFFFAOYSA-N -2 3 340.788 2.730 20 0 EFADHL O=C(CC12CC3CC(CC(C3)C1)C2)NCCCCP(=O)([O-])[O-] ZINC001144930927 1280454259 /nfs/dbraw/zinc/45/42/59/1280454259.db2.gz KXYDNMXJNSXZDV-UHFFFAOYSA-N -2 3 329.377 2.667 20 0 EFADHL O=C(CCCc1c[nH]c2ccccc12)NCCCCP(=O)([O-])[O-] ZINC001144976773 1280630885 /nfs/dbraw/zinc/63/08/85/1280630885.db2.gz LLHLERGGDDCEFP-UHFFFAOYSA-N -2 3 338.344 2.565 20 0 EFADHL O=C([O-])c1cc(Nc2cc(=O)n(-c3ccccc3)[n-]2)cc(C(=O)[O-])c1 ZINC001176239212 1287911603 /nfs/dbraw/zinc/91/16/03/1287911603.db2.gz NNRSICXKLQRTSH-UHFFFAOYSA-N -3 3 339.307 2.718 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc3c2CCC3)cc1C(=O)[O-] ZINC001184653781 1290489909 /nfs/dbraw/zinc/48/99/09/1290489909.db2.gz QONBAHBIRLWIMW-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL COc1cc([N-]S(=O)(=O)c2ccc3n[nH]cc3c2)ccc1[S-] ZINC001186001365 1290806367 /nfs/dbraw/zinc/80/63/67/1290806367.db2.gz UGXZWRJPSQNWJQ-UHFFFAOYSA-N -2 3 335.410 2.661 20 0 EFADHL Cc1cnc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(Cl)c1 ZINC001186144111 1290876558 /nfs/dbraw/zinc/87/65/58/1290876558.db2.gz MYEWRUGCZSSTHQ-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(Oc2cccnc2)cc1 ZINC001188857582 1291497744 /nfs/dbraw/zinc/49/77/44/1291497744.db2.gz IZKHBNAYTLBDQA-UHFFFAOYSA-N -2 3 343.364 2.775 20 0 EFADHL CCc1cccc(CC)c1NC(=O)NCCCCP(=O)([O-])[O-] ZINC001189786008 1291858739 /nfs/dbraw/zinc/85/87/39/1291858739.db2.gz ZFPGRQMWLVFVII-UHFFFAOYSA-N -2 3 328.349 2.891 20 0 EFADHL O=S(=O)([N-]c1ccc(Br)cc1[S-])c1ccncc1 ZINC001190898272 1292369732 /nfs/dbraw/zinc/36/97/32/1292369732.db2.gz SYGMXMNEDCGCCU-UHFFFAOYSA-N -2 3 345.243 2.934 20 0 EFADHL Cc1ccc(-c2cccc(C(=O)NCCCCP(=O)([O-])[O-])n2)cc1 ZINC001192069017 1292772718 /nfs/dbraw/zinc/77/27/18/1292772718.db2.gz QONJBGBYSIFNEH-UHFFFAOYSA-N -2 3 348.339 2.745 20 0 EFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2cccc(C3CC3)c2)cc1 ZINC001192728400 1293002540 /nfs/dbraw/zinc/00/25/40/1293002540.db2.gz GICRTGFPIUGCNG-UHFFFAOYSA-N -2 3 347.392 2.828 20 0 EFADHL CCOC(=O)C(C)(C)S(=O)(=O)[N-]c1c([O-])ccc2ccccc21 ZINC001193057220 1293163355 /nfs/dbraw/zinc/16/33/55/1293163355.db2.gz BRVLNGVLVYUDTI-UHFFFAOYSA-N -2 3 337.397 2.629 20 0 EFADHL COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(F)c([O-])c1F ZINC001193789196 1293431343 /nfs/dbraw/zinc/43/13/43/1293431343.db2.gz MMLXPCWJILRMJC-UHFFFAOYSA-N -2 3 341.241 2.554 20 0 EFADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccc(OC(F)(F)F)c1 ZINC001233944178 1313023126 /nfs/dbraw/zinc/02/31/26/1313023126.db2.gz MFAITIFHASYKBJ-ZETCQYMHSA-N -2 3 340.261 2.685 20 0 EFADHL C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195187702 1293829536 /nfs/dbraw/zinc/82/95/36/1293829536.db2.gz WHAUOHMKWAWYGX-PRHODGIISA-N -2 3 333.356 2.520 20 0 EFADHL O=C(NCCCCP(=O)([O-])[O-])c1cc(Cl)c(Cl)s1 ZINC001195178134 1293840473 /nfs/dbraw/zinc/84/04/73/1293840473.db2.gz BBUIEGWMPCVFAH-UHFFFAOYSA-N -2 3 332.145 2.743 20 0 EFADHL CCCC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCC1 ZINC001195264394 1293866773 /nfs/dbraw/zinc/86/67/73/1293866773.db2.gz YBQXPOXIZOCHMC-UHFFFAOYSA-N -2 3 333.356 2.664 20 0 EFADHL COC(=O)CCCCS(=O)(=O)[N-]c1c([O-])ccc2ccccc21 ZINC001196955099 1294421769 /nfs/dbraw/zinc/42/17/69/1294421769.db2.gz USRAEIRLRUOIHU-UHFFFAOYSA-N -2 3 337.397 2.630 20 0 EFADHL O=S(=O)(Cc1ccccn1)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC001197822008 1294752657 /nfs/dbraw/zinc/75/26/57/1294752657.db2.gz QDQOAVBYBGRWCR-UHFFFAOYSA-N -2 3 332.303 2.748 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(N2CCCC2)cc1 ZINC001198730637 1295208676 /nfs/dbraw/zinc/20/86/76/1295208676.db2.gz UBBLVBPFDDDDON-UHFFFAOYSA-N -2 3 346.408 2.786 20 0 EFADHL CC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(F)c1 ZINC001198782666 1295228677 /nfs/dbraw/zinc/22/86/77/1295228677.db2.gz NHHGLKMMNVAEDF-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL COc1ccc(-c2nnn[n-]2)cc1-c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001206044875 1313396427 /nfs/dbraw/zinc/39/64/27/1313396427.db2.gz AATJUEFOKZKQKC-UHFFFAOYSA-N -2 3 332.266 2.519 20 0 EFADHL COc1ccc(-c2nn[n-]n2)cc1-c1cc(F)c(F)c(C(=O)[O-])c1 ZINC001206044875 1313396431 /nfs/dbraw/zinc/39/64/31/1313396431.db2.gz AATJUEFOKZKQKC-UHFFFAOYSA-N -2 3 332.266 2.519 20 0 EFADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cc(F)c(F)c(F)c1 ZINC001259496106 1316251546 /nfs/dbraw/zinc/25/15/46/1316251546.db2.gz CAWGTIBGBNKZRC-UHFFFAOYSA-N -2 3 338.694 2.659 20 0 EFADHL CCCCOC[C@H](C)OC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019467 1311464907 /nfs/dbraw/zinc/46/49/07/1311464907.db2.gz WZFQPKMMROJPDI-KBPBESRZSA-N -2 3 326.370 2.571 20 0 EFADHL C[C@@H]1CCC[C@@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)C1 ZINC001227595098 1311826146 /nfs/dbraw/zinc/82/61/46/1311826146.db2.gz VGBCPWADOKYNHJ-RNFRBKRXSA-N -2 3 327.182 2.779 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1OC[C@@H]1CCCO1 ZINC001228119119 1311901994 /nfs/dbraw/zinc/90/19/94/1311901994.db2.gz CVUIRNITSZWGJX-ZDUSSCGKSA-N -2 3 330.336 2.592 20 0 EFADHL CC[C@@H](COc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-])OC ZINC001228122460 1311902460 /nfs/dbraw/zinc/90/24/60/1311902460.db2.gz MHBRAWSVIYYKPI-ZDUSSCGKSA-N -2 3 332.352 2.838 20 0 EFADHL CC(C)OCCOc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228119810 1311902733 /nfs/dbraw/zinc/90/27/33/1311902733.db2.gz MLUBRHBVYQAQDA-UHFFFAOYSA-N -2 3 332.352 2.838 20 0 EFADHL C[C@@H]1C[C@@H](Oc2cc([O-])ccc2C(=O)c2ccc(O)cc2[O-])CCO1 ZINC001228121579 1311902839 /nfs/dbraw/zinc/90/28/39/1311902839.db2.gz FKDVZNSJJSRKDO-RISCZKNCSA-N -2 3 344.363 2.981 20 0 EFADHL O=C([O-])c1cc(-c2cncc(-c3nnn[n-]3)c2)c(Cl)cc1Cl ZINC001245004655 1314432400 /nfs/dbraw/zinc/43/24/00/1314432400.db2.gz MDUXVFBGYDKQBM-UHFFFAOYSA-N -2 3 336.138 2.934 20 0 EFADHL O=C([O-])c1cc(-c2cncc(-c3nn[n-]n3)c2)c(Cl)cc1Cl ZINC001245004655 1314432401 /nfs/dbraw/zinc/43/24/01/1314432401.db2.gz MDUXVFBGYDKQBM-UHFFFAOYSA-N -2 3 336.138 2.934 20 0 EFADHL COC(=O)c1nc2nc(-c3ccc(C(=O)[O-])cc3Cl)ccc2[n-]1 ZINC001245374612 1314479302 /nfs/dbraw/zinc/47/93/02/1314479302.db2.gz WPALRDVWASXQDG-UHFFFAOYSA-N -2 3 331.715 2.763 20 0 EFADHL CN(C)c1nc(Nc2cc(F)c([O-])c(Cl)c2)c(N=O)c(=O)[n-]1 ZINC001214485279 1314698758 /nfs/dbraw/zinc/69/87/58/1314698758.db2.gz YNTYNTMQCZXEDM-UHFFFAOYSA-N -2 3 327.703 2.888 20 0 EFADHL Cc1noc([N-]c2c(Cl)cc(C(=O)[O-])cc2Cl)c1C(N)=O ZINC001214508824 1314700794 /nfs/dbraw/zinc/70/07/94/1314700794.db2.gz DVVNUFHGADZWBP-UHFFFAOYSA-N -2 3 330.127 2.831 20 0 EFADHL [O-]c1cc([O-])c(-c2nc(-c3ccncc3)no2)cc1Br ZINC001215473493 1314840376 /nfs/dbraw/zinc/84/03/76/1314840376.db2.gz JSNRXWNGPKSAKY-UHFFFAOYSA-N -2 3 334.129 2.972 20 0 EFADHL CN(C)c1nc(Nc2c(F)ccc([O-])c2Cl)c(N=O)c(=O)[n-]1 ZINC001250230065 1315187108 /nfs/dbraw/zinc/18/71/08/1315187108.db2.gz SYFWDUIXXUVXLG-UHFFFAOYSA-N -2 3 327.703 2.888 20 0 EFADHL CC(=O)c1ccc(OCc2ccccc2)c([N-]S(C)(=O)=O)c1[O-] ZINC001252733904 1315496964 /nfs/dbraw/zinc/49/69/64/1315496964.db2.gz VTCWSQNOWIPCAM-UHFFFAOYSA-N -2 3 335.381 2.545 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CCC1 ZINC001259225690 1316221837 /nfs/dbraw/zinc/22/18/37/1316221837.db2.gz CAYDICBBMBPREA-SSDOTTSWSA-N -2 3 335.784 2.644 20 0 EFADHL COc1ccc(CS(=O)(=O)[N-]c2c([O-])cc(F)cc2F)cc1 ZINC001259899719 1316294906 /nfs/dbraw/zinc/29/49/06/1316294906.db2.gz VLIOXHOXIXCUCG-UHFFFAOYSA-N -2 3 329.324 2.621 20 0 EFADHL COc1ccc(CS(=O)(=O)[N-]c2c([O-])cccc2C(C)=O)cc1 ZINC001259900928 1316295515 /nfs/dbraw/zinc/29/55/15/1316295515.db2.gz XOURNTLXEGEEBX-UHFFFAOYSA-N -2 3 335.381 2.545 20 0 EFADHL O=c1oc2cc([O-])ccc2cc1[N-]S(=O)(=O)Cc1ccccc1F ZINC001260622415 1316349206 /nfs/dbraw/zinc/34/92/06/1316349206.db2.gz JBIDDZCJSMAPFX-UHFFFAOYSA-N -2 3 349.339 2.580 20 0 EFADHL COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(F)c([O-])c1 ZINC001260770992 1316367423 /nfs/dbraw/zinc/36/74/23/1316367423.db2.gz RKOACUPUYKNTEG-UHFFFAOYSA-N -2 3 325.361 2.958 20 0 EFADHL COc1cc(S(=O)(=O)[N-]c2ccc([S-])c(OC)c2)ccc1F ZINC001200560053 1334122171 /nfs/dbraw/zinc/12/21/71/1334122171.db2.gz RWCWMEOXXJWWMG-UHFFFAOYSA-N -2 3 343.401 2.932 20 0 EFADHL O=C(Nc1cccc([O-])c1F)c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC001466117272 1396739365 /nfs/dbraw/zinc/73/93/65/1396739365.db2.gz DVZFNDAAXBNBAF-UHFFFAOYSA-N -2 3 349.268 2.953 20 0 EFADHL O=C([O-])[C@@H]1C[C@H]2C[C@@H](NC(=O)c3cc([O-])cc(C(F)(F)F)c3)[C@H]2C1 ZINC001551450532 1414077639 /nfs/dbraw/zinc/07/76/39/1414077639.db2.gz OCYDZDPNCDUYMB-UWIAMKHRSA-N -2 3 343.301 2.640 20 0 EFADHL CC=C(C)C(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820827248 1428918369 /nfs/dbraw/zinc/91/83/69/1428918369.db2.gz QVXPEXJQYVZLJV-OQFOIZHKSA-N -2 3 326.385 2.895 20 0 EFADHL CC=C(C)C(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820827248 1428918370 /nfs/dbraw/zinc/91/83/70/1428918370.db2.gz QVXPEXJQYVZLJV-OQFOIZHKSA-N -2 3 326.385 2.895 20 0 EFADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000826284836 1429031694 /nfs/dbraw/zinc/03/16/94/1429031694.db2.gz HQDNAFGZCYFBCB-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC001645876266 1416577555 /nfs/dbraw/zinc/57/75/55/1416577555.db2.gz FOFSRFGOBKNYDJ-UHFFFAOYSA-N -2 3 338.212 2.527 20 0 EFADHL CCCc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000123634343 1423507386 /nfs/dbraw/zinc/50/73/86/1423507386.db2.gz ISOFVJYZDBNPQD-UHFFFAOYSA-N -2 3 343.412 2.620 20 0 EFADHL CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)cc1 ZINC000007230199 1424565989 /nfs/dbraw/zinc/56/59/89/1424565989.db2.gz AZENRQQNGTXNDJ-UHFFFAOYSA-N -2 3 343.412 2.791 20 0 EFADHL CC(C)c1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1 ZINC000007230199 1424565991 /nfs/dbraw/zinc/56/59/91/1424565991.db2.gz AZENRQQNGTXNDJ-UHFFFAOYSA-N -2 3 343.412 2.791 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)cc1Cl ZINC000074811079 1424839498 /nfs/dbraw/zinc/83/94/98/1424839498.db2.gz MVBQDDRYEJBHNH-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000823417625 1424886710 /nfs/dbraw/zinc/88/67/10/1424886710.db2.gz FMNKBTLYCZHQSM-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cc(F)cc(Cl)c1[O-] ZINC000823417625 1424886720 /nfs/dbraw/zinc/88/67/20/1424886720.db2.gz FMNKBTLYCZHQSM-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000737327322 1426424483 /nfs/dbraw/zinc/42/44/83/1426424483.db2.gz ZLNFXQQCFBGNEK-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1 ZINC000736692793 1426691589 /nfs/dbraw/zinc/69/15/89/1426691589.db2.gz YQDLQUDYBPXEBM-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000736692793 1426691590 /nfs/dbraw/zinc/69/15/90/1426691590.db2.gz YQDLQUDYBPXEBM-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL CC=C(C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825028371 1426862317 /nfs/dbraw/zinc/86/23/17/1426862317.db2.gz HFZHQJCFIZBIJP-YCRREMRBSA-N -2 3 326.385 2.895 20 0 EFADHL CC=C(C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825028371 1426862327 /nfs/dbraw/zinc/86/23/27/1426862327.db2.gz HFZHQJCFIZBIJP-YCRREMRBSA-N -2 3 326.385 2.895 20 0 EFADHL O=C([N-]c1ncc(-c2nnn[n-]2)s1)C1(c2cccc(F)c2)CCC1 ZINC000823380444 1427082236 /nfs/dbraw/zinc/08/22/36/1427082236.db2.gz XZZMSOKDNUSHGO-UHFFFAOYSA-N -2 3 344.375 2.523 20 0 EFADHL Cc1nc2ccccc2c(C(=O)Nc2ccccc2-c2nn[n-]n2)c1[O-] ZINC001149198499 1429831884 /nfs/dbraw/zinc/83/18/84/1429831884.db2.gz VBVOMMHACAKYSL-UHFFFAOYSA-N -2 3 346.350 2.681 20 0 EFADHL Cc1nc2ccccc2c(C(=O)Nc2ccccc2-c2nnn[n-]2)c1[O-] ZINC001149198499 1429831895 /nfs/dbraw/zinc/83/18/95/1429831895.db2.gz VBVOMMHACAKYSL-UHFFFAOYSA-N -2 3 346.350 2.681 20 0 EFADHL CCc1cnc([N-]C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000821499145 1441776815 /nfs/dbraw/zinc/77/68/15/1441776815.db2.gz DIVYEHPAWXVFLI-SECBINFHSA-N -2 3 343.416 2.768 20 0 EFADHL CCc1cnc([N-]C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000821499145 1441776819 /nfs/dbraw/zinc/77/68/19/1441776819.db2.gz DIVYEHPAWXVFLI-SECBINFHSA-N -2 3 343.416 2.768 20 0 EFADHL CC=C(C)C(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000820827251 1441859124 /nfs/dbraw/zinc/85/91/24/1441859124.db2.gz QVXPEXJQYVZLJV-YCRREMRBSA-N -2 3 326.385 2.895 20 0 EFADHL CC=C(C)C(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000820827251 1441859127 /nfs/dbraw/zinc/85/91/27/1441859127.db2.gz QVXPEXJQYVZLJV-YCRREMRBSA-N -2 3 326.385 2.895 20 0 EFADHL CCc1cccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000736696875 1443889497 /nfs/dbraw/zinc/88/94/97/1443889497.db2.gz DCKXEBYZOTXEIH-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL CCCNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccccc1[O-] ZINC000825333118 1446146935 /nfs/dbraw/zinc/14/69/35/1446146935.db2.gz RXNDPPCZSCCJIN-UHFFFAOYSA-N -2 3 338.371 2.647 20 0 EFADHL CCCNc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ccccc1[O-] ZINC000825333118 1446146936 /nfs/dbraw/zinc/14/69/36/1446146936.db2.gz RXNDPPCZSCCJIN-UHFFFAOYSA-N -2 3 338.371 2.647 20 0 EFADHL O=C(OCc1ccccc1-c1nn[n-]n1)c1cccc(Cl)c1[O-] ZINC000826467263 1446841179 /nfs/dbraw/zinc/84/11/79/1446841179.db2.gz ODZVWJLPIKNFMW-UHFFFAOYSA-N -2 3 330.731 2.583 20 0 EFADHL O=C(OCc1ccccc1-c1nnn[n-]1)c1cccc(Cl)c1[O-] ZINC000826467263 1446841183 /nfs/dbraw/zinc/84/11/83/1446841183.db2.gz ODZVWJLPIKNFMW-UHFFFAOYSA-N -2 3 330.731 2.583 20 0 EFADHL CCC(CC)(NC(=O)c1cc2ccccc2cc1[O-])c1nnn[n-]1 ZINC001140064057 1450242534 /nfs/dbraw/zinc/24/25/34/1450242534.db2.gz IIWKFPABHTYOOT-UHFFFAOYSA-N -2 3 325.372 2.504 20 0 EFADHL CCC(CC)(NC(=O)c1cc2ccccc2cc1[O-])c1nn[n-]n1 ZINC001140064057 1450242538 /nfs/dbraw/zinc/24/25/38/1450242538.db2.gz IIWKFPABHTYOOT-UHFFFAOYSA-N -2 3 325.372 2.504 20 0 EFADHL C[C@@H]1C[C@@H]1C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824899589 1450373284 /nfs/dbraw/zinc/37/32/84/1450373284.db2.gz LLYRXBOQFRQVEB-KCJUWKMLSA-N -2 3 326.385 2.585 20 0 EFADHL C[C@@H]1C[C@@H]1C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824899589 1450373287 /nfs/dbraw/zinc/37/32/87/1450373287.db2.gz LLYRXBOQFRQVEB-KCJUWKMLSA-N -2 3 326.385 2.585 20 0 EFADHL CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000926530282 716362306 /nfs/dbraw/zinc/36/23/06/716362306.db2.gz GYAAIZUWMGKEDQ-MRVPVSSYSA-N -2 3 343.298 2.533 20 0 EFADHL O=C([O-])[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccs1 ZINC000909633437 724678460 /nfs/dbraw/zinc/67/84/60/724678460.db2.gz PEKQWQHNOMACQL-HNNXBMFYSA-N -2 3 337.372 2.858 20 0 EFADHL O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000319792847 722007605 /nfs/dbraw/zinc/00/76/05/722007605.db2.gz HMAQYBMEUZQKBB-GFCCVEGCSA-N -2 3 337.681 2.525 20 0 EFADHL O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000319792850 722007612 /nfs/dbraw/zinc/00/76/12/722007612.db2.gz HMAQYBMEUZQKBB-LBPRGKRZSA-N -2 3 337.681 2.525 20 0 EFADHL CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000908032436 727082279 /nfs/dbraw/zinc/08/22/79/727082279.db2.gz DUAPDEHMQVSERN-CQSZACIVSA-N -2 3 325.380 2.860 20 0 EFADHL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000908582800 727214482 /nfs/dbraw/zinc/21/44/82/727214482.db2.gz NEYZFMFREFITEM-MRXNPFEDSA-N -2 3 345.370 2.666 20 0 EFADHL O=C([O-])c1ccc(CCNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000908602636 727223250 /nfs/dbraw/zinc/22/32/50/727223250.db2.gz PXBASQGFSQIGOT-UHFFFAOYSA-N -2 3 345.370 2.911 20 0 EFADHL O=C([O-])CCN(C(=O)c1cc([O-])c2ccccc2c1)C1CCOCC1 ZINC000909029789 727306964 /nfs/dbraw/zinc/30/69/64/727306964.db2.gz AADGPBKRMNWQTL-UHFFFAOYSA-N -2 3 343.379 2.641 20 0 EFADHL CC[C@](CNC(=O)Cc1ccc([O-])c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000909844304 727389123 /nfs/dbraw/zinc/38/91/23/727389123.db2.gz DMWJLPCKPCPSIL-LJQANCHMSA-N -2 3 345.370 2.623 20 0 EFADHL CC(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@@H]32)cc1[O-] ZINC000909963676 727399719 /nfs/dbraw/zinc/39/97/19/727399719.db2.gz ZUZOCBFIDNTQTN-PMPSAXMXSA-N -2 3 345.395 2.700 20 0 EFADHL Cc1ccc(C(=O)N2CCC[C@H]2c2nc(C(=O)[O-])cs2)c([O-])c1 ZINC000910114837 727413814 /nfs/dbraw/zinc/41/38/14/727413814.db2.gz PMHNPBMFRBXEOO-LBPRGKRZSA-N -2 3 332.381 2.833 20 0 EFADHL O=C([O-])c1n[nH]cc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001601580627 971024533 /nfs/dbraw/zinc/02/45/33/971024533.db2.gz IBFSCNWSIKQTDL-UHFFFAOYSA-N -2 3 339.307 2.858 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)cc1C ZINC000325592014 971229614 /nfs/dbraw/zinc/22/96/14/971229614.db2.gz CBDSGQGQLYKQFO-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL O=C([O-])c1cccc(CCNC(=O)c2cc(=O)c3ccccc3[n-]2)c1 ZINC000327365951 971393628 /nfs/dbraw/zinc/39/36/28/971393628.db2.gz YBXXPVBINIDHKJ-UHFFFAOYSA-N -2 3 336.347 2.611 20 0 EFADHL CCCCOc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)c([O-])c1 ZINC001589653925 949797284 /nfs/dbraw/zinc/79/72/84/949797284.db2.gz BZYUWUCDILEXEZ-JKSUJKDBSA-N -2 3 347.411 2.754 20 0 EFADHL O=C([O-])C1(COC(=O)c2cc3cc(Cl)sc3[n-]2)CCOCC1 ZINC001595275474 949911194 /nfs/dbraw/zinc/91/11/94/949911194.db2.gz ZBNZGPYCOMMPBI-UHFFFAOYSA-N -2 3 343.788 2.921 20 0 EFADHL CC(C)C[C@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)CC(=O)[O-] ZINC000325079272 951080865 /nfs/dbraw/zinc/08/08/65/951080865.db2.gz YHBAUIRPLJYUKC-LBPRGKRZSA-N -2 3 330.384 2.807 20 0 EFADHL CCc1ccc(C(=O)NC[C@@](C)(C(=O)[O-])c2ccccc2)c([O-])c1 ZINC001593635186 953604448 /nfs/dbraw/zinc/60/44/48/953604448.db2.gz DIYGRGFQNXTIIJ-LJQANCHMSA-N -2 3 327.380 2.727 20 0 EFADHL O=C([O-])CCCCCNC(=O)c1cc([O-])cc(Br)c1 ZINC000700710201 954870446 /nfs/dbraw/zinc/87/04/46/954870446.db2.gz MUUBCBKEOSPTCW-UHFFFAOYSA-N -2 3 330.178 2.530 20 0 EFADHL O=C([O-])/C=C\c1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1 ZINC000386541321 972063622 /nfs/dbraw/zinc/06/36/22/972063622.db2.gz JLCNADQUINLIHA-YVMONPNESA-N -2 3 338.772 2.634 20 0 EFADHL C[C@@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589115285 956090811 /nfs/dbraw/zinc/09/08/11/956090811.db2.gz QOKDYDGYLIBHGJ-JFUSQASVSA-N -2 3 325.792 2.911 20 0 EFADHL CSc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000013033084 956909852 /nfs/dbraw/zinc/90/98/52/956909852.db2.gz IZWVPZWHFYNCPR-UHFFFAOYSA-N -2 3 339.394 2.613 20 0 EFADHL C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC[C@@H]1C(=O)[O-] ZINC001331755339 957732089 /nfs/dbraw/zinc/73/20/89/957732089.db2.gz NRZPUWQPDYNRQE-MNOVXSKESA-N -2 3 341.367 2.624 20 0 EFADHL O=C([O-])[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000085325595 957893372 /nfs/dbraw/zinc/89/33/72/957893372.db2.gz BJRXCXHSWMNMCD-WCBMZHEXSA-N -2 3 338.212 2.525 20 0 EFADHL Cc1cc(F)cc2c(=O)c(C(=O)Nc3cccc(C(=O)[O-])c3)c[n-]c12 ZINC001594311577 958031185 /nfs/dbraw/zinc/03/11/85/958031185.db2.gz FUHFQPSWMINTBS-UHFFFAOYSA-N -2 3 340.310 2.926 20 0 EFADHL CC1(C)CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000391343151 972329530 /nfs/dbraw/zinc/32/95/30/972329530.db2.gz DTQKFDIZMZWHJH-VIFPVBQESA-N -2 3 347.383 2.910 20 0 EFADHL CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001573389694 958686157 /nfs/dbraw/zinc/68/61/57/958686157.db2.gz FAUAZEAVJUPTNJ-GFCCVEGCSA-N -2 3 342.355 2.903 20 0 EFADHL CC(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)cc1[O-] ZINC001588528152 958880485 /nfs/dbraw/zinc/88/04/85/958880485.db2.gz BAFSRKNCFGIQHM-HNNXBMFYSA-N -2 3 339.347 2.814 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)cc1C ZINC000392085022 972407934 /nfs/dbraw/zinc/40/79/34/972407934.db2.gz FRHORJRRSMITQL-UHFFFAOYSA-N -2 3 349.408 2.958 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC001198770271 960581178 /nfs/dbraw/zinc/58/11/78/960581178.db2.gz BYQQSNKKGPCNIR-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL CCc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c([O-])c1 ZINC001571196975 962325050 /nfs/dbraw/zinc/32/50/50/962325050.db2.gz SVULPOYRONOUMI-HNNXBMFYSA-N -2 3 331.343 2.519 20 0 EFADHL O=C([O-])C1([N-]C(=O)C(F)(F)c2cc(F)cc(F)c2)CCCCC1 ZINC001574638702 962327337 /nfs/dbraw/zinc/32/73/37/962327337.db2.gz PNPYANDHQFLHNE-UHFFFAOYSA-N -2 3 333.281 2.960 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCCCC1 ZINC000314581144 963771068 /nfs/dbraw/zinc/77/10/68/963771068.db2.gz PKJZBUUJAWXJJJ-CYBMUJFWSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000316048698 963970053 /nfs/dbraw/zinc/97/00/53/963970053.db2.gz WYBKMZFTRYRWFW-UHFFFAOYSA-N -2 3 340.788 2.851 20 0 EFADHL O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000324372172 968030567 /nfs/dbraw/zinc/03/05/67/968030567.db2.gz JSRFPXVPVKXCBZ-GFCCVEGCSA-N -2 3 328.368 2.657 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c(C)c1 ZINC000320748781 970710494 /nfs/dbraw/zinc/71/04/94/970710494.db2.gz XAOTZIDATQEMAD-UHFFFAOYSA-N -2 3 335.381 2.568 20 0 EFADHL C[C@@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000396378410 972870182 /nfs/dbraw/zinc/87/01/82/972870182.db2.gz NFBZXZQYRBECPI-LLVKDONJSA-N -2 3 347.392 2.610 20 0 EFADHL C[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000396378414 972871484 /nfs/dbraw/zinc/87/14/84/972871484.db2.gz NFBZXZQYRBECPI-NSHDSACASA-N -2 3 347.392 2.610 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)C(=O)[O-])cc2)cc1C ZINC000396480876 972902370 /nfs/dbraw/zinc/90/23/70/972902370.db2.gz HFDXACVFSVOASA-GFCCVEGCSA-N -2 3 349.408 2.993 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2ccc([C@@H](C)C(=O)[O-])cc2)c(=O)[n-]1 ZINC000396654456 972930748 /nfs/dbraw/zinc/93/07/48/972930748.db2.gz VMUQBHJDNGYVIR-SNVBAGLBSA-N -2 3 343.383 2.558 20 0 EFADHL CC(C)([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCC1 ZINC000398165126 973077107 /nfs/dbraw/zinc/07/71/07/973077107.db2.gz WYODZVMWTQCTJM-UHFFFAOYSA-N -2 3 333.356 2.520 20 0 EFADHL C[C@@H](CCC1CC1)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000398475662 973146971 /nfs/dbraw/zinc/14/69/71/973146971.db2.gz PSWCTRXOFKCSQD-QMMMGPOBSA-N -2 3 333.356 2.520 20 0 EFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000400439352 973278449 /nfs/dbraw/zinc/27/84/49/973278449.db2.gz FHQYUKVHZIWMPZ-WCBMZHEXSA-N -2 3 337.800 2.647 20 0 EFADHL O=C([O-])Cc1noc(-c2cc(OCc3ccccc3)ccc2[O-])n1 ZINC001606326018 973750308 /nfs/dbraw/zinc/75/03/08/973750308.db2.gz YWMWQYQGUPFPBR-UHFFFAOYSA-N -2 3 326.308 2.648 20 0 EFADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl)C(C)(F)F ZINC000405875281 973909632 /nfs/dbraw/zinc/90/96/32/973909632.db2.gz DSAKCDLWGRRFCF-UHFFFAOYSA-N -2 3 341.763 2.750 20 0 EFADHL CC(C)c1ccc(C(=O)NC[C@H](Cc2ccncc2)C(=O)[O-])c([O-])c1 ZINC001591943305 976478481 /nfs/dbraw/zinc/47/84/81/976478481.db2.gz SPYKSJSIAKJQCX-HNNXBMFYSA-N -2 3 342.395 2.584 20 0 EFADHL CC(C)c1ccc(C(=O)N(C)[C@@H](COC2CCC2)C(=O)[O-])c([O-])c1 ZINC001591943877 976485604 /nfs/dbraw/zinc/48/56/04/976485604.db2.gz WYSSRPPWQAYADC-HNNXBMFYSA-N -2 3 335.400 2.610 20 0 EFADHL C[C@H](/C=C\C(=O)[O-])NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001592204700 977235223 /nfs/dbraw/zinc/23/52/23/977235223.db2.gz MFVRQKAKMOYAJI-MQGYJPLLSA-N -2 3 327.336 2.944 20 0 EFADHL O=C([O-])CC1CC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000718124505 977954094 /nfs/dbraw/zinc/95/40/94/977954094.db2.gz CDUPGDIOMIXONS-UHFFFAOYSA-N -2 3 338.212 2.525 20 0 EFADHL CN1CCCc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc21 ZINC000738014377 978466833 /nfs/dbraw/zinc/46/68/33/978466833.db2.gz BQUODFYANFXSCD-UHFFFAOYSA-N -2 3 346.408 2.568 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)cc1F ZINC000788748956 978798174 /nfs/dbraw/zinc/79/81/74/978798174.db2.gz OOTWIFSMDOJIKY-UHFFFAOYSA-N -2 3 349.339 2.699 20 0 EFADHL CC[C@H](CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-])OC ZINC000817353029 978903731 /nfs/dbraw/zinc/90/37/31/978903731.db2.gz BNRAWLVGNMIRNN-CYBMUJFWSA-N -2 3 337.397 2.705 20 0 EFADHL CCC(CC)(C(=O)[O-])C(=O)COC(=O)c1cccc(Cl)c1[O-] ZINC001595045600 979254049 /nfs/dbraw/zinc/25/40/49/979254049.db2.gz QXOUBWGWTSFHSU-UHFFFAOYSA-N -2 3 328.748 2.663 20 0 EFADHL CCC(C)(C)CC[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001594801045 981893706 /nfs/dbraw/zinc/89/37/06/981893706.db2.gz YFDHUUUWFSNLBX-UHFFFAOYSA-N -2 3 335.372 2.768 20 0 EFADHL CCCCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC001595687743 982180588 /nfs/dbraw/zinc/18/05/88/982180588.db2.gz SYHQETVRISUQDN-JTQLQIEISA-N -2 3 337.800 2.791 20 0 EFADHL CCCCOc1ccc(C(=O)NC[C@H](CC2CC2)C(=O)[O-])c([O-])c1 ZINC001595777290 982546671 /nfs/dbraw/zinc/54/66/71/982546671.db2.gz PNSWLSUNBLHVLS-ZDUSSCGKSA-N -2 3 335.400 2.802 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2cc(F)cc(C(=O)[O-])c2)c([O-])c1 ZINC001596724618 984978221 /nfs/dbraw/zinc/97/82/21/984978221.db2.gz QTVNRQIXXPEMHM-UHFFFAOYSA-N -2 3 347.298 2.659 20 0 EFADHL CCO[C@@H](CS(=O)(=O)[N-]c1c(C)sc(C)c1C(=O)[O-])C1CC1 ZINC001596791601 985276516 /nfs/dbraw/zinc/27/65/16/985276516.db2.gz IDJQEFRFMXRWLK-NSHDSACASA-N -2 3 347.458 2.620 20 0 EFADHL CC(=O)Nc1ccc([O-])c(C(=O)NC2(CCC(=O)[O-])CCCCC2)c1 ZINC001589199269 985629037 /nfs/dbraw/zinc/62/90/37/985629037.db2.gz ALSYVBVABMOZGF-UHFFFAOYSA-N -2 3 348.399 2.648 20 0 EFADHL CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](CC2CCCCC2)C(=O)[O-])c1 ZINC001589199549 985634548 /nfs/dbraw/zinc/63/45/48/985634548.db2.gz QXXNBCPUQIHJFT-HNNXBMFYSA-N -2 3 348.399 2.504 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])cc1 ZINC001597126019 986834925 /nfs/dbraw/zinc/83/49/25/986834925.db2.gz PDLXXJPCDJXSKT-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1 ZINC001589520643 987162012 /nfs/dbraw/zinc/16/20/12/987162012.db2.gz ADJYBZNYRDDYCD-MRVPVSSYSA-N -2 3 328.303 2.537 20 0 EFADHL C[C@H](C(=O)[O-])c1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001589531595 987205148 /nfs/dbraw/zinc/20/51/48/987205148.db2.gz HVOVVCJJVLFVQO-VIFPVBQESA-N -2 3 327.340 2.500 20 0 EFADHL CCc1[nH]c(C(=O)Nc2cccc(C(C)=O)c2[O-])c(C)c1C(=O)[O-] ZINC001597374307 987560799 /nfs/dbraw/zinc/56/07/99/987560799.db2.gz JRBVZIDVVXMGJR-UHFFFAOYSA-N -2 3 330.340 2.744 20 0 EFADHL CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(C)c2)c([O-])c1 ZINC001597500594 988057943 /nfs/dbraw/zinc/05/79/43/988057943.db2.gz QZWJLNPCVOUBBF-MRXNPFEDSA-N -2 3 331.343 2.958 20 0 EFADHL CCc1ccc([O-])c(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1 ZINC001597556927 988292513 /nfs/dbraw/zinc/29/25/13/988292513.db2.gz QTGOQKUUACFVMJ-UHFFFAOYSA-N -2 3 349.333 2.960 20 0 EFADHL CCc1cccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c1[O-] ZINC001597576980 988370960 /nfs/dbraw/zinc/37/09/60/988370960.db2.gz XMBXQOAOJYGQSZ-SNVBAGLBSA-N -2 3 346.408 2.853 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc([C@H](C)C(=O)[O-])c1 ZINC001599827584 988621507 /nfs/dbraw/zinc/62/15/07/988621507.db2.gz PIJQGVZZIQRRHN-QMMMGPOBSA-N -2 3 347.396 2.653 20 0 EFADHL C[C@@H]1CC=CC[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001599848027 988966430 /nfs/dbraw/zinc/96/64/30/988966430.db2.gz CXCBIGUOVRCHSK-LDYMZIIASA-N -2 3 347.795 2.810 20 0 EFADHL CC(C)(CF)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC001590701755 990419221 /nfs/dbraw/zinc/41/92/21/990419221.db2.gz QOHFTBOGJHTOOF-UHFFFAOYSA-N -2 3 344.191 2.718 20 0 EFADHL CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1 ZINC001590980909 991135292 /nfs/dbraw/zinc/13/52/92/991135292.db2.gz MJDMYZWCGSLJTC-SSDOTTSWSA-N -2 3 345.364 2.702 20 0 EFADHL CC(C)C1CCC(C[N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001591082785 991600619 /nfs/dbraw/zinc/60/06/19/991600619.db2.gz YGUHDTUZPAFWJU-UHFFFAOYSA-N -2 3 346.474 2.582 20 0 EFADHL CC(C)CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001591227166 992098773 /nfs/dbraw/zinc/09/87/73/992098773.db2.gz DSGTVEMQDSHSHV-DGCLKSJQSA-N -2 3 329.418 2.861 20 0 EFADHL CN(Cc1ccc(OCC(=O)[O-])cc1)Cc1c(F)ccc([O-])c1F ZINC001598524134 992697828 /nfs/dbraw/zinc/69/78/28/992697828.db2.gz YXUJBNBXCFJTBT-UHFFFAOYSA-N -2 3 337.322 2.766 20 0 EFADHL C[C@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1nc(C(=O)[O-])co1 ZINC001593526027 995566027 /nfs/dbraw/zinc/56/60/27/995566027.db2.gz QJLPQQKKMFFPOL-VIFPVBQESA-N -2 3 337.303 2.845 20 0 EFADHL C[C@@H](c1c(F)cccc1F)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593685793 996119152 /nfs/dbraw/zinc/11/91/52/996119152.db2.gz CDDDTGHMVMXSMT-UJVFDKLUSA-N -2 3 339.338 2.523 20 0 EFADHL COc1cc(C)ccc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCCC1 ZINC001599395085 997110396 /nfs/dbraw/zinc/11/03/96/997110396.db2.gz LRTRZAFKPXBCQG-UHFFFAOYSA-N -2 3 341.429 2.780 20 0 EFADHL COC(=O)c1cnc(S[C@@H](C(=O)[O-])c2ccc(Cl)cc2)[n-]1 ZINC001598917190 997494560 /nfs/dbraw/zinc/49/45/60/997494560.db2.gz LFTYSSGCJURLOJ-SNVBAGLBSA-N -2 3 326.761 2.768 20 0 EFADHL COc1ccc([C@H](NC(=O)c2cc(SC)ccc2[O-])C(=O)[O-])cc1 ZINC001599524199 997531364 /nfs/dbraw/zinc/53/13/64/997531364.db2.gz GWLMRRSAFIHVPN-HNNXBMFYSA-N -2 3 347.392 2.678 20 0 EFADHL COC(=O)c1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)[O-])[n-]1 ZINC001598958276 998284633 /nfs/dbraw/zinc/28/46/33/998284633.db2.gz BBNRXKWKHJGKRB-UHFFFAOYSA-N -2 3 338.319 2.905 20 0 EFADHL CC(=Cc1cc(F)c(F)c(F)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588770038 1092986240 /nfs/dbraw/zinc/98/62/40/1092986240.db2.gz DNKNGKYBZXSHIS-UTCJRWHESA-N -2 3 348.288 2.649 20 0 EFADHL CC(=Cc1cc(F)c(F)c(F)c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588770038 1092986249 /nfs/dbraw/zinc/98/62/49/1092986249.db2.gz DNKNGKYBZXSHIS-UTCJRWHESA-N -2 3 348.288 2.649 20 0 EFADHL CC(C)(C)CC[C@H](Nc1ncc(-c2nnn[n-]2)cc1Cl)C(=O)[O-] ZINC001589123841 1093036643 /nfs/dbraw/zinc/03/66/43/1093036643.db2.gz VHAZKHDZRXOKDJ-JTQLQIEISA-N -2 3 338.799 2.607 20 0 EFADHL CC(C)(C)CC[C@H](Nc1ncc(-c2nn[n-]n2)cc1Cl)C(=O)[O-] ZINC001589123841 1093036646 /nfs/dbraw/zinc/03/66/46/1093036646.db2.gz VHAZKHDZRXOKDJ-JTQLQIEISA-N -2 3 338.799 2.607 20 0 EFADHL CC(C)Oc1ccc(NC2CCC(C(=O)[O-])CC2)cc1-c1nnn[n-]1 ZINC001589758735 1093135705 /nfs/dbraw/zinc/13/57/05/1093135705.db2.gz LSQFTAIWKUJNGL-UHFFFAOYSA-N -2 3 345.403 2.709 20 0 EFADHL CC(C)Oc1ccc(NC2CCC(C(=O)[O-])CC2)cc1-c1nn[n-]n1 ZINC001589758735 1093135713 /nfs/dbraw/zinc/13/57/13/1093135713.db2.gz LSQFTAIWKUJNGL-UHFFFAOYSA-N -2 3 345.403 2.709 20 0 EFADHL CC(C)c1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC001589768554 1093138707 /nfs/dbraw/zinc/13/87/07/1093138707.db2.gz NKKQXTOHMWLZEX-UHFFFAOYSA-N -2 3 349.441 2.852 20 0 EFADHL C[C@@H](Cc1ccc(NCc2cc(-c3nnn[n-]3)cs2)cc1)C(=O)[O-] ZINC001589896492 1093170021 /nfs/dbraw/zinc/17/00/21/1093170021.db2.gz GRCAXOCRTRXQQA-JTQLQIEISA-N -2 3 343.412 2.804 20 0 EFADHL C[C@@H](Cc1ccc(NCc2cc(-c3nn[n-]n3)cs2)cc1)C(=O)[O-] ZINC001589896492 1093170024 /nfs/dbraw/zinc/17/00/24/1093170024.db2.gz GRCAXOCRTRXQQA-JTQLQIEISA-N -2 3 343.412 2.804 20 0 EFADHL C[C@H]1CCc2[n-]n(-c3ccc(-c4nnn[n-]4)c(Cl)c3)c(=O)c2C1 ZINC001590241303 1093329245 /nfs/dbraw/zinc/32/92/45/1093329245.db2.gz VUWQCASDRDXMJW-KWQFWETISA-N -2 3 330.779 2.659 20 0 EFADHL C[C@H]1CCc2[n-]n(-c3ccc(-c4nn[n-]n4)c(Cl)c3)c(=O)c2C1 ZINC001590241303 1093329253 /nfs/dbraw/zinc/32/92/53/1093329253.db2.gz VUWQCASDRDXMJW-KWQFWETISA-N -2 3 330.779 2.659 20 0 EFADHL CCON(CC1CCCCC1)C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001590819317 1093580783 /nfs/dbraw/zinc/58/07/83/1093580783.db2.gz PONKHZQQWUUKLO-UHFFFAOYSA-N -2 3 345.403 2.546 20 0 EFADHL CCOc1cccc(C=Cc2nc(C(=O)[O-])ccc2-c2nnn[n-]2)c1 ZINC001590842858 1093594175 /nfs/dbraw/zinc/59/41/75/1093594175.db2.gz OGFSMCTXRHCZQE-SOFGYWHQSA-N -2 3 337.339 2.529 20 0 EFADHL CCOc1cccc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[n-]n2)c1 ZINC001590842858 1093594184 /nfs/dbraw/zinc/59/41/84/1093594184.db2.gz OGFSMCTXRHCZQE-SOFGYWHQSA-N -2 3 337.339 2.529 20 0 EFADHL COc1cc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)ccc1C ZINC001591522056 1093750306 /nfs/dbraw/zinc/75/03/06/1093750306.db2.gz BTEVMMHZSCHJMC-YFHOEESVSA-N -2 3 338.371 2.548 20 0 EFADHL COc1cc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)ccc1C ZINC001591522056 1093750310 /nfs/dbraw/zinc/75/03/10/1093750310.db2.gz BTEVMMHZSCHJMC-YFHOEESVSA-N -2 3 338.371 2.548 20 0 EFADHL Cc1cc(Cl)c2ncc(-c3nnn[n-]3)c(N[C@H](C)CC(=O)[O-])c2c1 ZINC001591974963 1093942394 /nfs/dbraw/zinc/94/23/94/1093942394.db2.gz DNAVXFODIOEPKM-MRVPVSSYSA-N -2 3 346.778 2.652 20 0 EFADHL Cc1cc(Cl)c2ncc(-c3nn[n-]n3)c(N[C@H](C)CC(=O)[O-])c2c1 ZINC001591974963 1093942395 /nfs/dbraw/zinc/94/23/95/1093942395.db2.gz DNAVXFODIOEPKM-MRVPVSSYSA-N -2 3 346.778 2.652 20 0 EFADHL Cc1nc(-c2ccc(C3CC3)c(-c3nnn[n-]3)c2)sc1C(=O)[O-] ZINC001592332428 1094080207 /nfs/dbraw/zinc/08/02/07/1094080207.db2.gz SQNPFUUKGIVBGS-UHFFFAOYSA-N -2 3 327.369 2.874 20 0 EFADHL Cc1nc(-c2ccc(C3CC3)c(-c3nn[n-]n3)c2)sc1C(=O)[O-] ZINC001592332428 1094080214 /nfs/dbraw/zinc/08/02/14/1094080214.db2.gz SQNPFUUKGIVBGS-UHFFFAOYSA-N -2 3 327.369 2.874 20 0 EFADHL Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC001592501146 1094115459 /nfs/dbraw/zinc/11/54/59/1094115459.db2.gz QDNIPYDJBZJDLM-UHFFFAOYSA-N -2 3 337.698 2.519 20 0 EFADHL Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC001592501146 1094115463 /nfs/dbraw/zinc/11/54/63/1094115463.db2.gz QDNIPYDJBZJDLM-UHFFFAOYSA-N -2 3 337.698 2.519 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccsc2Cl)n1 ZINC001593283075 1094265260 /nfs/dbraw/zinc/26/52/60/1094265260.db2.gz KJPCAFXJJYHWBF-HNQUOIGGSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccsc2Cl)n1 ZINC001593283075 1094265264 /nfs/dbraw/zinc/26/52/64/1094265264.db2.gz KJPCAFXJJYHWBF-HNQUOIGGSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccsc2Cl)n1 ZINC001593283076 1094265825 /nfs/dbraw/zinc/26/58/25/1094265825.db2.gz KJPCAFXJJYHWBF-IWQZZHSRSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccsc2Cl)n1 ZINC001593283076 1094265830 /nfs/dbraw/zinc/26/58/30/1094265830.db2.gz KJPCAFXJJYHWBF-IWQZZHSRSA-N -2 3 333.760 2.845 20 0 EFADHL Cc1cc([C@@H](NCc2cc(C(=O)[O-])n(C)c2)C(=O)[O-])ccc1Cl ZINC001600146837 1094803965 /nfs/dbraw/zinc/80/39/65/1094803965.db2.gz KUJFJDHYYGWRPE-CQSZACIVSA-N -2 3 336.775 2.601 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCC[C@@H](C)C2)oc1C(=O)[O-] ZINC001600300545 1094952742 /nfs/dbraw/zinc/95/27/42/1094952742.db2.gz XTUIQPSLZIVTDT-USWWRNFRSA-N -2 3 329.418 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CC2)oc1C(=O)[O-] ZINC001600300000 1094953110 /nfs/dbraw/zinc/95/31/10/1094953110.db2.gz ZADZQVIBUNGBPC-UHFFFAOYSA-N -2 3 349.408 2.587 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)C2CCCC2)oc1C(=O)[O-] ZINC001600299153 1094953220 /nfs/dbraw/zinc/95/32/20/1094953220.db2.gz IRPSHTRQOLEKRM-UHFFFAOYSA-N -2 3 329.418 2.781 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCC[C@@H]2C)oc1C(=O)[O-] ZINC001600298659 1094953660 /nfs/dbraw/zinc/95/36/60/1094953660.db2.gz KCBQPXZFPUYBTK-CMPLNLGQSA-N -2 3 329.418 2.781 20 0 EFADHL Cc1ccc(-c2cc(C(=O)OCc3ccccc3CC(=O)[O-])n[n-]2)o1 ZINC001600313154 1094962634 /nfs/dbraw/zinc/96/26/34/1094962634.db2.gz PJSIMQMIYNNEQG-UHFFFAOYSA-N -2 3 340.335 2.962 20 0 EFADHL Cc1ccc(C(=O)CC(C)(C)CC(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001600329236 1094977541 /nfs/dbraw/zinc/97/75/41/1094977541.db2.gz OFXNRKGDWFEBSE-UHFFFAOYSA-N -2 3 335.400 2.897 20 0 EFADHL Cc1ccc(CSc2nc(NC(=O)CCCC(=O)[O-])n[n-]2)cc1 ZINC001600422790 1095055371 /nfs/dbraw/zinc/05/53/71/1095055371.db2.gz ZMERRVDQPJEIHH-UHFFFAOYSA-N -2 3 334.401 2.599 20 0 EFADHL Cc1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1C(=O)[O-] ZINC001600462530 1095086770 /nfs/dbraw/zinc/08/67/70/1095086770.db2.gz BODXILSNGOMFDB-UHFFFAOYSA-N -2 3 327.262 2.820 20 0 EFADHL Cc1ccc([O-])c(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)c1 ZINC001600465179 1095088663 /nfs/dbraw/zinc/08/86/63/1095088663.db2.gz QKAPMESRVFAQQV-SNVBAGLBSA-N -2 3 333.315 2.944 20 0 EFADHL Cc1ccc([O-])c(NC(=O)c2ccccc2S[C@H](C)C(=O)[O-])n1 ZINC001600467526 1095089290 /nfs/dbraw/zinc/08/92/90/1095089290.db2.gz YMWBWIRFQHLASH-SNVBAGLBSA-N -2 3 332.381 2.913 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]CCc2cc3ccc(C(=O)[O-])cc3o2)o1 ZINC001600482336 1095097551 /nfs/dbraw/zinc/09/75/51/1095097551.db2.gz PHVBSIYDYDIGNG-UHFFFAOYSA-N -2 3 349.364 2.553 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)c(C(=O)[O-])c1 ZINC001600483110 1095100378 /nfs/dbraw/zinc/10/03/78/1095100378.db2.gz DSIZHPNTWOJFTJ-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]Cc1cc2cc(C)ccc2o1 ZINC001600505334 1095120138 /nfs/dbraw/zinc/12/01/38/1095120138.db2.gz YDRPZXLDZAYJKT-UHFFFAOYSA-N -2 3 349.364 2.819 20 0 EFADHL Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])C1 ZINC001600588707 1095192217 /nfs/dbraw/zinc/19/22/17/1095192217.db2.gz ONVJRFFCNZPWGB-HAQNSBGRSA-N -2 3 335.381 2.511 20 0 EFADHL Cc1ncc(NC(=O)c2cc3c(cc2[O-])CCCC3)cc1C(=O)[O-] ZINC001600742906 1095304411 /nfs/dbraw/zinc/30/44/11/1095304411.db2.gz CJTUGPVKWFYXAK-UHFFFAOYSA-N -2 3 326.352 2.925 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]CC[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC001600857037 1095385903 /nfs/dbraw/zinc/38/59/03/1095385903.db2.gz DHSNZJNMVSLDCH-LLVKDONJSA-N -2 3 337.397 2.758 20 0 EFADHL O=C([O-])[C@@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC001601393579 1095651097 /nfs/dbraw/zinc/65/10/97/1095651097.db2.gz VBHHVRALUFBEMA-INIZCTEOSA-N -2 3 327.336 2.778 20 0 EFADHL O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001601571102 1095737025 /nfs/dbraw/zinc/73/70/25/1095737025.db2.gz AHXQBEXJYRCRAH-WBVHZDCISA-N -2 3 339.391 2.770 20 0 EFADHL O=C([O-])c1nc(C(=O)[N-]c2nnc(C3CCCCC3)s2)cs1 ZINC001601634457 1095776195 /nfs/dbraw/zinc/77/61/95/1095776195.db2.gz VZUVMDFQBABZJQ-UHFFFAOYSA-N -2 3 338.414 2.993 20 0 EFADHL O=C([O-])C(=O)CCCSc1nnc([N-]c2ccccc2F)s1 ZINC001601638362 1095777858 /nfs/dbraw/zinc/77/78/58/1095777858.db2.gz UXSRKXIGNMOLQE-UHFFFAOYSA-N -2 3 341.389 2.947 20 0 EFADHL O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)[N-]C(=O)C(F)(F)C(F)F ZINC001601642172 1095781471 /nfs/dbraw/zinc/78/14/71/1095781471.db2.gz OGRWZNOLDDCAPX-JQWIXIFHSA-N -2 3 347.308 2.966 20 0 EFADHL O=C([O-])C12CCC(C(=O)Nc3[nH][n-]c4cc(=O)ccc3-4)(CC1)CC2 ZINC001601731656 1095871048 /nfs/dbraw/zinc/87/10/48/1095871048.db2.gz FMSBECFXHYFSNZ-UHFFFAOYSA-N -2 3 329.356 2.632 20 0 EFADHL O=C([O-])C[C@H]([N-]C(=O)C(F)(F)c1nccs1)c1cccs1 ZINC001601897471 1095962676 /nfs/dbraw/zinc/96/26/76/1095962676.db2.gz XMMUSEFLBWEQFL-ZETCQYMHSA-N -2 3 332.353 2.629 20 0 EFADHL O=C([O-])C[C@@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccncc1 ZINC001601903997 1095968630 /nfs/dbraw/zinc/96/86/30/1095968630.db2.gz NZUUCVKXSFYOFV-CYBMUJFWSA-N -2 3 342.376 2.948 20 0 EFADHL O=C([O-])C[C@@H]1CCCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001601949860 1095989808 /nfs/dbraw/zinc/98/98/08/1095989808.db2.gz VUNHRCDMGBUCSG-JTQLQIEISA-N -2 3 348.786 2.651 20 0 EFADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc3ccncc3s2)s1 ZINC001602003710 1096015950 /nfs/dbraw/zinc/01/59/50/1096015950.db2.gz XFAKGHKDKUWTJR-UHFFFAOYSA-N -2 3 348.409 2.807 20 0 EFADHL O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc2sccc2c([O-])c1 ZINC001602004530 1096016127 /nfs/dbraw/zinc/01/61/27/1096016127.db2.gz DUKMVFBBQRWQNV-GFCCVEGCSA-N -2 3 349.408 2.703 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c1F ZINC001602225513 1096125852 /nfs/dbraw/zinc/12/58/52/1096125852.db2.gz AVQQHNZRJSYWNM-UHFFFAOYSA-N -2 3 345.367 2.664 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCC2CCC2)c1F ZINC001602228153 1096128350 /nfs/dbraw/zinc/12/83/50/1096128350.db2.gz NKAXAIXAOPAMKW-UHFFFAOYSA-N -2 3 333.356 2.522 20 0 EFADHL O=C([O-])c1ccc(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)nc1 ZINC001602336092 1096186309 /nfs/dbraw/zinc/18/63/09/1096186309.db2.gz IYUNIKHFLATOLZ-UHFFFAOYSA-N -2 3 340.379 2.580 20 0 EFADHL O=C([O-])c1ccc(C[N-]C(=O)C(F)(F)c2cccc(Cl)c2)nc1 ZINC001602340037 1096190225 /nfs/dbraw/zinc/19/02/25/1096190225.db2.gz VYDYSDMMOORHAZ-UHFFFAOYSA-N -2 3 340.713 2.841 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cn1 ZINC001602401707 1096222418 /nfs/dbraw/zinc/22/24/18/1096222418.db2.gz PFJPPOUFCMHUNF-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC(F)(F)c2ccccc2)s1 ZINC001602400395 1096222452 /nfs/dbraw/zinc/22/24/52/1096222452.db2.gz ZBXWMCZVDCYZLF-UHFFFAOYSA-N -2 3 347.364 2.517 20 0 EFADHL O=C([O-])c1cccnc1SCc1nnc(-c2ccccc2[O-])o1 ZINC001602477043 1096265299 /nfs/dbraw/zinc/26/52/99/1096265299.db2.gz WZMRZBPHFIKVBP-UHFFFAOYSA-N -2 3 329.337 2.828 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCc2cc(Cl)ccc21 ZINC001602488896 1096270327 /nfs/dbraw/zinc/27/03/27/1096270327.db2.gz XPWXRQJYYFUERW-LBPRGKRZSA-N -2 3 341.772 2.597 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]CCCCCc1ccccc1 ZINC001602488844 1096270901 /nfs/dbraw/zinc/27/09/01/1096270901.db2.gz MUKIYVWWEBSFLA-UHFFFAOYSA-N -2 3 337.397 2.669 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1ccc(-c2ccccc2)o1 ZINC001602487626 1096271051 /nfs/dbraw/zinc/27/10/51/1096271051.db2.gz FAKNQVIZNBFYDA-UHFFFAOYSA-N -2 3 347.348 2.716 20 0 EFADHL O=C([O-])c1ccccc1CCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC001602614840 1096325136 /nfs/dbraw/zinc/32/51/36/1096325136.db2.gz QXLQGKGQKYUMNH-UHFFFAOYSA-N -2 3 326.308 2.767 20 0 EFADHL O=C([O-])c1ccccc1CCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC001602614840 1096325138 /nfs/dbraw/zinc/32/51/38/1096325138.db2.gz QXLQGKGQKYUMNH-UHFFFAOYSA-N -2 3 326.308 2.767 20 0 EFADHL CC(=O)c1ccc(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)cc1[O-] ZINC001603107529 1096443833 /nfs/dbraw/zinc/44/38/33/1096443833.db2.gz AONAYJNBFLUYDU-UHFFFAOYSA-N -2 3 331.299 2.613 20 0 EFADHL CC(C)(C(=O)[O-])[C@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC001603247889 1096485442 /nfs/dbraw/zinc/48/54/42/1096485442.db2.gz XESIZSIJCYTBBP-OAHLLOKOSA-N -2 3 338.367 2.540 20 0 EFADHL CC1(C)Cc2ccccc2N(C(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)C1 ZINC001603793013 1096629035 /nfs/dbraw/zinc/62/90/35/1096629035.db2.gz NUWUWXMDVHHZFD-UHFFFAOYSA-N -2 3 349.394 2.801 20 0 EFADHL CCN(C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1)c1ccc2[nH]ccc2c1 ZINC001604266864 1096789578 /nfs/dbraw/zinc/78/95/78/1096789578.db2.gz QOASBAYDMANESS-UHFFFAOYSA-N -2 3 348.366 2.720 20 0 EFADHL C[C@H]1CC[C@@](NC(=O)c2ccccc2[O-])(C(=O)[O-])c2ccccc21 ZINC001604708030 1096937146 /nfs/dbraw/zinc/93/71/46/1096937146.db2.gz YFLMFXFBOFOOAZ-BUXKBTBVSA-N -2 3 325.364 2.999 20 0 EFADHL CNc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cccc(Cl)c1[O-] ZINC001604898494 1096978558 /nfs/dbraw/zinc/97/85/58/1096978558.db2.gz FPHGYODGDWFOOA-UHFFFAOYSA-N -2 3 344.762 2.520 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c1 ZINC001605821299 1097237917 /nfs/dbraw/zinc/23/79/17/1097237917.db2.gz BPSGZKZGYSJRKI-SNVBAGLBSA-N -2 3 346.408 2.853 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2ncc(C(=O)[O-])cc2Cl)cc1 ZINC001605823290 1097238796 /nfs/dbraw/zinc/23/87/96/1097238796.db2.gz DUEPZMQQIMVJQK-UHFFFAOYSA-N -2 3 340.788 2.796 20 0 EFADHL CCc1cccc(C(=O)[O-])c1NC(=O)CCc1c(C)nc(C)[n-]c1=O ZINC001605826699 1097240388 /nfs/dbraw/zinc/24/03/88/1097240388.db2.gz VUQHNGLXHDCLIU-UHFFFAOYSA-N -2 3 343.383 2.631 20 0 EFADHL COC(=N)c1cccc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)c1 ZINC001167939039 1097382202 /nfs/dbraw/zinc/38/22/02/1097382202.db2.gz NLHXJXXCGCBVGH-UHFFFAOYSA-N -2 3 346.323 2.743 20 0 EFADHL O=C(Nc1ccc(Cl)cc1-c1nnn[n-]1)c1cccc(F)c1[O-] ZINC001606920975 1097473696 /nfs/dbraw/zinc/47/36/96/1097473696.db2.gz NHGXVYNKZQCIIX-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1ccc(Cl)cc1-c1nn[n-]n1)c1cccc(F)c1[O-] ZINC001606920975 1097473697 /nfs/dbraw/zinc/47/36/97/1097473697.db2.gz NHGXVYNKZQCIIX-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C([O-])c1cccc(C=Cc2ccncc2-c2nnn[n-]2)c1Cl ZINC001606962284 1097481435 /nfs/dbraw/zinc/48/14/35/1097481435.db2.gz NSJUQPCXMJYPFT-SNAWJCMRSA-N -2 3 327.731 2.784 20 0 EFADHL O=C([O-])c1cccc(C=Cc2ccncc2-c2nn[n-]n2)c1Cl ZINC001606962284 1097481439 /nfs/dbraw/zinc/48/14/39/1097481439.db2.gz NSJUQPCXMJYPFT-SNAWJCMRSA-N -2 3 327.731 2.784 20 0 EFADHL O=c1c2c([n-]n1-c1cc(-c3nnn[n-]3)cc(Cl)n1)CCCCCC2 ZINC001607038225 1097501289 /nfs/dbraw/zinc/50/12/89/1097501289.db2.gz RBQOCGRYIUSZEO-JTQLQIEISA-N -2 3 345.794 2.588 20 0 EFADHL O=c1c2c([n-]n1-c1cc(-c3nn[n-]n3)cc(Cl)n1)CCCCCC2 ZINC001607038225 1097501295 /nfs/dbraw/zinc/50/12/95/1097501295.db2.gz RBQOCGRYIUSZEO-JTQLQIEISA-N -2 3 345.794 2.588 20 0 EFADHL COc1ccc(Cl)cc1C(F)(F)C(=O)[N-][C@@](C)(C(=O)[O-])C1CC1 ZINC001607265700 1097578691 /nfs/dbraw/zinc/57/86/91/1097578691.db2.gz ZTRNSYXKTDTDKW-CQSZACIVSA-N -2 3 347.745 2.810 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(CCC(=O)[O-])c2)c(C)c1 ZINC001607289877 1097584650 /nfs/dbraw/zinc/58/46/50/1097584650.db2.gz FNCGDOIVKKDSJK-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc([C@@H](C)C(=O)[O-])c2)c(C)c1 ZINC001607289926 1097584913 /nfs/dbraw/zinc/58/49/13/1097584913.db2.gz LMBNPVHZOOCMCC-GFCCVEGCSA-N -2 3 349.408 2.993 20 0 EFADHL Cc1c(Br)ccc([O-])c1NC(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001607502488 1097644137 /nfs/dbraw/zinc/64/41/37/1097644137.db2.gz QVVREMMCSWACHL-UHFFFAOYSA-N -2 3 339.145 2.742 20 0 EFADHL Cc1cc(=O)[n-]c([C@@H](C)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])n1 ZINC001607699475 1097703509 /nfs/dbraw/zinc/70/35/09/1097703509.db2.gz PBXRISJKSAFXFU-BXUZGUMPSA-N -2 3 341.367 2.583 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2)oc1C(=O)[O-] ZINC001607708213 1097705406 /nfs/dbraw/zinc/70/54/06/1097705406.db2.gz GQSMRWNKWUEMHD-SECBINFHSA-N -2 3 343.788 2.979 20 0 EFADHL O=C([O-])c1cnc(CCNC(=O)c2cc3sccc3c([O-])c2)s1 ZINC001608456173 1097925125 /nfs/dbraw/zinc/92/51/25/1097925125.db2.gz UFKIXXOUCDAJAG-UHFFFAOYSA-N -2 3 348.405 2.734 20 0 EFADHL O=C([O-])c1ccc(CNC(=O)c2cc([O-])ccc2Cl)nc1C1CC1 ZINC001608465111 1097926860 /nfs/dbraw/zinc/92/68/60/1097926860.db2.gz NVMDIDCWIUSTIJ-UHFFFAOYSA-N -2 3 346.770 2.946 20 0 EFADHL O=C([O-])c1c[nH]c2cc(NC(=O)c3cc4c(cc3[O-])OCO4)ccc12 ZINC001608514562 1097938201 /nfs/dbraw/zinc/93/82/01/1097938201.db2.gz YMPCFBXINURFMQ-UHFFFAOYSA-N -2 3 340.291 2.553 20 0 EFADHL O=C([O-])C1(CS(=O)(=O)[N-]c2cc(F)ccc2F)CCCCC1 ZINC001608574538 1097959099 /nfs/dbraw/zinc/95/90/99/1097959099.db2.gz FWXMFTAUXHZGIK-UHFFFAOYSA-N -2 3 333.356 2.742 20 0 EFADHL O=C([O-])[C@@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(O)cc1[O-] ZINC001608596821 1097964397 /nfs/dbraw/zinc/96/43/97/1097964397.db2.gz FJHICAXTXMIULA-WFASDCNBSA-N -2 3 333.384 2.593 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@]23C[C@H]2CCCC3)c1F ZINC001608827836 1098034559 /nfs/dbraw/zinc/03/45/59/1098034559.db2.gz APXQKMZPEIOGMS-PSLIRLAXSA-N -2 3 345.367 2.522 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCC[C@@H]2C=CCC2)c1F ZINC001608827964 1098035536 /nfs/dbraw/zinc/03/55/36/1098035536.db2.gz GQRMHFQGVSYVKH-SNVBAGLBSA-N -2 3 345.367 2.688 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2C=CCCC2)c1F ZINC001608846197 1098043490 /nfs/dbraw/zinc/04/34/90/1098043490.db2.gz NSPDGWBKHHPSDV-VIFPVBQESA-N -2 3 333.768 2.564 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C2(C3CCC3)CC2)c1F ZINC001608846290 1098043603 /nfs/dbraw/zinc/04/36/03/1098043603.db2.gz RUZSEWOFISQYMZ-UHFFFAOYSA-N -2 3 347.795 2.788 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCC2)c(F)cc1Cl ZINC001608862250 1098047800 /nfs/dbraw/zinc/04/78/00/1098047800.db2.gz DYJPLEHQDIJVSO-QPUJVOFHSA-N -2 3 347.795 2.644 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@H]2CCCCO2)c2ccccc12 ZINC001608905361 1098066699 /nfs/dbraw/zinc/06/66/99/1098066699.db2.gz TVZCNXCDGBQNCJ-GFCCVEGCSA-N -2 3 349.408 2.849 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCCO2 ZINC001608949336 1098087488 /nfs/dbraw/zinc/08/74/88/1098087488.db2.gz OIBXSHIDBYUFGP-UHFFFAOYSA-N -2 3 333.365 2.511 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1cc2ccccc2s1 ZINC001608956297 1098090517 /nfs/dbraw/zinc/09/05/17/1098090517.db2.gz NKKWGTHNEAPBQB-UHFFFAOYSA-N -2 3 337.378 2.671 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCc2cccc3ccccc32)c1 ZINC001608990668 1098100688 /nfs/dbraw/zinc/10/06/88/1098100688.db2.gz KBILRICLTUAUDB-UHFFFAOYSA-N -2 3 345.376 2.652 20 0 EFADHL O=C([O-])c1coc(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)c1 ZINC001608989746 1098100721 /nfs/dbraw/zinc/10/07/21/1098100721.db2.gz GXTUKNYILZDLOC-ZDUSSCGKSA-N -2 3 327.296 2.649 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCCc2ccc(Cl)cc2)c1 ZINC001608990715 1098101066 /nfs/dbraw/zinc/10/10/66/1098101066.db2.gz LUMBVFQAVUSVSF-UHFFFAOYSA-N -2 3 343.788 2.542 20 0 EFADHL CC(=Cc1ccc(F)c(F)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060335 1098125685 /nfs/dbraw/zinc/12/56/85/1098125685.db2.gz IZVQAOIBZQWADB-FNORWQNLSA-N -2 3 330.298 2.509 20 0 EFADHL CC(=Cc1ccc(F)c(F)c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060335 1098125688 /nfs/dbraw/zinc/12/56/88/1098125688.db2.gz IZVQAOIBZQWADB-FNORWQNLSA-N -2 3 330.298 2.509 20 0 EFADHL CC(C)c1cccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001609105749 1098148181 /nfs/dbraw/zinc/14/81/81/1098148181.db2.gz VMNPSVCMJLJIBD-UHFFFAOYSA-N -2 3 337.383 2.972 20 0 EFADHL CC1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c2ccccc21 ZINC001609146059 1098167480 /nfs/dbraw/zinc/16/74/80/1098167480.db2.gz QBIDNHUOWUHKDB-UHFFFAOYSA-N -2 3 349.394 2.900 20 0 EFADHL Cc1sc(NC(=O)CC2(CC(=O)[O-])CCC2)c(-c2nnn[n-]2)c1C ZINC001609471913 1098342733 /nfs/dbraw/zinc/34/27/33/1098342733.db2.gz YJKKPYFTALDPQE-UHFFFAOYSA-N -2 3 349.416 2.519 20 0 EFADHL Cc1sc(NC(=O)CC2(CC(=O)[O-])CCC2)c(-c2nn[n-]n2)c1C ZINC001609471913 1098342740 /nfs/dbraw/zinc/34/27/40/1098342740.db2.gz YJKKPYFTALDPQE-UHFFFAOYSA-N -2 3 349.416 2.519 20 0 EFADHL O=C([O-])c1ccc2oc(C=Cc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC001609572999 1098385207 /nfs/dbraw/zinc/38/52/07/1098385207.db2.gz SIDUWNXDVFVBBQ-BAQGIRSFSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc2oc(C=Cc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC001609572999 1098385213 /nfs/dbraw/zinc/38/52/13/1098385213.db2.gz SIDUWNXDVFVBBQ-BAQGIRSFSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cccc(Cl)c2F)n1 ZINC001609572260 1098386029 /nfs/dbraw/zinc/38/60/29/1098386029.db2.gz NSHIPAVCSVHBQM-XQRVVYSFSA-N -2 3 345.721 2.923 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cccc(Cl)c2F)n1 ZINC001609572260 1098386034 /nfs/dbraw/zinc/38/60/34/1098386034.db2.gz NSHIPAVCSVHBQM-XQRVVYSFSA-N -2 3 345.721 2.923 20 0 EFADHL O=C([O-])CCCCCNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609572398 1098386275 /nfs/dbraw/zinc/38/62/75/1098386275.db2.gz VFVCQRUSFMUOBW-UHFFFAOYSA-N -2 3 343.309 2.942 20 0 EFADHL O=C([O-])CCCCCNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609572398 1098386281 /nfs/dbraw/zinc/38/62/81/1098386281.db2.gz VFVCQRUSFMUOBW-UHFFFAOYSA-N -2 3 343.309 2.942 20 0 EFADHL O=C([O-])c1cccc2oc(C=Cc3ccc(-c4nnn[n-]4)cc3)nc21 ZINC001609572603 1098386379 /nfs/dbraw/zinc/38/63/79/1098386379.db2.gz FILAZOMKUNIIBH-RMKNXTFCSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1cccc2oc(C=Cc3ccc(-c4nn[n-]n4)cc3)nc21 ZINC001609572603 1098386383 /nfs/dbraw/zinc/38/63/83/1098386383.db2.gz FILAZOMKUNIIBH-RMKNXTFCSA-N -2 3 333.307 2.877 20 0 EFADHL CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001609690096 1098428738 /nfs/dbraw/zinc/42/87/38/1098428738.db2.gz PVJJAYYZTQXNKP-QWRGUYRKSA-N -2 3 346.474 2.725 20 0 EFADHL C[C@](Cc1ccccc1)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC001609753859 1098446751 /nfs/dbraw/zinc/44/67/51/1098446751.db2.gz RKMMMMPASCOTRU-QGZVFWFLSA-N -2 3 349.408 2.668 20 0 EFADHL C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ncc(C(=O)[O-])s1 ZINC001609762100 1098449618 /nfs/dbraw/zinc/44/96/18/1098449618.db2.gz PUVCHJTXFAFHET-SSDOTTSWSA-N -2 3 344.314 2.950 20 0 EFADHL CCc1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)c([O-])c1 ZINC001610060145 1098533948 /nfs/dbraw/zinc/53/39/48/1098533948.db2.gz CKEYGHAWQKENQO-GFCCVEGCSA-N -2 3 343.379 2.909 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)c1 ZINC001610062562 1098535631 /nfs/dbraw/zinc/53/56/31/1098535631.db2.gz IYLJEEZMXXVDGB-UHFFFAOYSA-N -2 3 325.364 2.851 20 0 EFADHL COC(=O)Nc1ccc(C(=O)O[C@@H](CC(C)(C)C)C(=O)[O-])cc1[O-] ZINC001610189615 1098563793 /nfs/dbraw/zinc/56/37/93/1098563793.db2.gz ACIGHVJEMMFESH-LBPRGKRZSA-N -2 3 339.344 2.617 20 0 EFADHL COC(=O)c1cnc(S[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])[n-]1 ZINC001610195182 1098566349 /nfs/dbraw/zinc/56/63/49/1098566349.db2.gz DOHKIWJVEROSRE-NSHDSACASA-N -2 3 340.788 2.638 20 0 EFADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1c(C)csc1C(=O)[O-] ZINC001610230652 1098582514 /nfs/dbraw/zinc/58/25/14/1098582514.db2.gz NUKUOKXRIMDPHW-SNVBAGLBSA-N -2 3 335.447 2.558 20 0 EFADHL Cc1ccc(C(=O)Nc2cccnc2SCCC(=O)[O-])c([O-])c1 ZINC001610485113 1098705511 /nfs/dbraw/zinc/70/55/11/1098705511.db2.gz DZPJWMIFEDDXAQ-UHFFFAOYSA-N -2 3 332.381 2.915 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc([O-])cc1 ZINC001610488048 1098707462 /nfs/dbraw/zinc/70/74/62/1098707462.db2.gz SSTHOUBVGNPSIR-NSHDSACASA-N -2 3 343.335 2.583 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2Cl)cn1 ZINC001610514067 1098724650 /nfs/dbraw/zinc/72/46/50/1098724650.db2.gz FLPGQXAAIWKYEG-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(Cl)cs2)s1 ZINC001610772435 1098879737 /nfs/dbraw/zinc/87/97/37/1098879737.db2.gz KJFGNZGSRUBPTI-UHFFFAOYSA-N -2 3 331.806 2.913 20 0 EFADHL O=C([O-])c1ccc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)o1 ZINC001610823973 1098913285 /nfs/dbraw/zinc/91/32/85/1098913285.db2.gz YBMQLGJXJBEQEP-UHFFFAOYSA-N -2 3 333.300 2.888 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001610867182 1098945598 /nfs/dbraw/zinc/94/55/98/1098945598.db2.gz KSPGWKAQMOOJGV-HIFRSBDPSA-N -2 3 349.408 2.983 20 0 EFADHL C[C@@H](OCCCCP(=O)([O-])[O-])c1ccc(Br)nc1 ZINC001225019061 1104250194 /nfs/dbraw/zinc/25/01/94/1104250194.db2.gz PYBLTTBAQBKPFX-SECBINFHSA-N -2 3 338.138 2.880 20 0 EFADHL O=C(NCCc1n[n-]c(=S)n1C1CC1)c1cc(Cl)ccc1[O-] ZINC000067119279 215114641 /nfs/dbraw/zinc/11/46/41/215114641.db2.gz ICSWMEKGTSIEHG-UHFFFAOYSA-N -2 3 338.820 2.607 20 0 EFADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000037413182 213145715 /nfs/dbraw/zinc/14/57/15/213145715.db2.gz KIMVMYFFTMQALS-LURJTMIESA-N -2 3 345.726 2.500 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2F)sc1C(=O)[O-] ZINC000037238985 213136091 /nfs/dbraw/zinc/13/60/91/213136091.db2.gz IGALSCNMTYPOON-UHFFFAOYSA-N -2 3 333.337 2.834 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000036408756 213098289 /nfs/dbraw/zinc/09/82/89/213098289.db2.gz NDAPIKYEDLUYDD-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000035085710 213008219 /nfs/dbraw/zinc/00/82/19/213008219.db2.gz RGSHVHZVOPSFDQ-QMMMGPOBSA-N -2 3 345.726 2.500 20 0 EFADHL COCc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1 ZINC000071798579 215834266 /nfs/dbraw/zinc/83/42/66/215834266.db2.gz YDRURRTYODCMSJ-UHFFFAOYSA-N -2 3 349.408 2.949 20 0 EFADHL O=C([O-])CCC[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000037406079 213144362 /nfs/dbraw/zinc/14/43/62/213144362.db2.gz JOJFZDYUXLDFOF-UHFFFAOYSA-N -2 3 345.726 2.502 20 0 EFADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000131850865 223277827 /nfs/dbraw/zinc/27/78/27/223277827.db2.gz YKNPDRDXFVBXRZ-QMMMGPOBSA-N -2 3 340.228 2.915 20 0 EFADHL Cc1ccc(-c2cc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)n[n-]2)o1 ZINC000192958640 240075372 /nfs/dbraw/zinc/07/53/72/240075372.db2.gz TZJQWYJRHRUGRE-GFCCVEGCSA-N -2 3 337.335 2.807 20 0 EFADHL Cc1ccc(-c2cc(C(=O)N3C[C@@H](C(=O)[O-])c4ccccc43)[n-]n2)o1 ZINC000192958640 240075388 /nfs/dbraw/zinc/07/53/88/240075388.db2.gz TZJQWYJRHRUGRE-GFCCVEGCSA-N -2 3 337.335 2.807 20 0 EFADHL C[C@@H](CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000229519694 242172601 /nfs/dbraw/zinc/17/26/01/242172601.db2.gz LKZSAMVBTSNHCH-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccccc1[O-] ZINC000436912382 249628996 /nfs/dbraw/zinc/62/89/96/249628996.db2.gz CLQXHKPRRZEJOL-UHFFFAOYSA-N -2 3 330.731 2.789 20 0 EFADHL COc1ccc(C)cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443442445 250196478 /nfs/dbraw/zinc/19/64/78/250196478.db2.gz LTXQNMUKWKMOTR-VMPITWQZSA-N -2 3 328.368 2.995 20 0 EFADHL CCOc1nc2ccc(C(=O)N=c3nc(C(C)(C)C)[n-]s3)cc2[n-]1 ZINC000449841269 251174348 /nfs/dbraw/zinc/17/43/48/251174348.db2.gz KEOOLOFSKYJOHY-UHFFFAOYSA-N -2 3 345.428 2.785 20 0 EFADHL CCOc1nc2cc(C(=O)N=c3nc(C(C)(C)C)[n-]s3)ccc2[n-]1 ZINC000449841269 251174352 /nfs/dbraw/zinc/17/43/52/251174352.db2.gz KEOOLOFSKYJOHY-UHFFFAOYSA-N -2 3 345.428 2.785 20 0 EFADHL COc1ccc([O-])c(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)c1 ZINC000346030800 142136669 /nfs/dbraw/zinc/13/66/69/142136669.db2.gz SYGGMYQKKOEFKO-UHFFFAOYSA-N -2 3 349.770 2.781 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1C(=O)[O-] ZINC000341322088 145032717 /nfs/dbraw/zinc/03/27/17/145032717.db2.gz JTWVHVMQUHIOEL-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c1C(=O)[O-] ZINC000342283313 145093199 /nfs/dbraw/zinc/09/31/99/145093199.db2.gz PYDKBWOXEZVASF-NSHDSACASA-N -2 3 347.392 2.817 20 0 EFADHL CC[C@H](C)n1nc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1C ZINC000342776617 145189776 /nfs/dbraw/zinc/18/97/76/145189776.db2.gz HSKNCFXTNFQWHA-JTQLQIEISA-N -2 3 339.417 2.678 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3cnco3)cc2)c1 ZINC000342785189 145191930 /nfs/dbraw/zinc/19/19/30/145191930.db2.gz SKIQKOKNOOMLGL-UHFFFAOYSA-N -2 3 346.364 2.857 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c(C)c1 ZINC000349005990 146035737 /nfs/dbraw/zinc/03/57/37/146035737.db2.gz NSHKXCWYALHAAJ-UHFFFAOYSA-N -2 3 349.408 2.958 20 0 EFADHL Cc1nc(C=Cc2cccc(C(=O)[O-])c2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000349115015 146054898 /nfs/dbraw/zinc/05/48/98/146054898.db2.gz WIHRVHYFJDARNL-WAYWQWQTSA-N -3 3 348.742 2.640 20 0 EFADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000349115249 146055358 /nfs/dbraw/zinc/05/53/58/146055358.db2.gz XCLNKGWKXZRSEP-UHFFFAOYSA-N -2 3 349.408 2.958 20 0 EFADHL O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000350828184 146093851 /nfs/dbraw/zinc/09/38/51/146093851.db2.gz FPNFSWOTFHMYQG-LBPRGKRZSA-N -2 3 339.351 2.654 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1Cl ZINC000360517544 148381265 /nfs/dbraw/zinc/38/12/65/148381265.db2.gz YPOTWJDYWXLNNM-UHFFFAOYSA-N -3 3 341.772 2.853 20 0 EFADHL COC(=O)c1cccc2nc(NC(=O)c3cc(F)c([O-])c(F)c3)[n-]c21 ZINC000186887742 265077827 /nfs/dbraw/zinc/07/78/27/265077827.db2.gz CLIAOTCIYDDRGP-UHFFFAOYSA-N -2 3 347.277 2.586 20 0 EFADHL COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)c([O-])c(F)c3)nc21 ZINC000186887742 265077830 /nfs/dbraw/zinc/07/78/30/265077830.db2.gz CLIAOTCIYDDRGP-UHFFFAOYSA-N -2 3 347.277 2.586 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2F)c1 ZINC000187000872 265084019 /nfs/dbraw/zinc/08/40/19/265084019.db2.gz XHSGYQQGGOQAHJ-UHFFFAOYSA-N -2 3 349.792 2.717 20 0 EFADHL CC(=O)c1ccc([O-])c(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000272224706 266195604 /nfs/dbraw/zinc/19/56/04/266195604.db2.gz KUMRZIGOQGFNCB-UHFFFAOYSA-N -2 3 343.383 2.949 20 0 EFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000275032707 266743099 /nfs/dbraw/zinc/74/30/99/266743099.db2.gz CURNGFPVKKOCBS-MRVPVSSYSA-N -2 3 337.800 2.647 20 0 EFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000131519639 293199547 /nfs/dbraw/zinc/19/95/47/293199547.db2.gz LYPSQJWNWNXYQY-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc([O-])c2F)ccc1C ZINC000131538915 293200191 /nfs/dbraw/zinc/20/01/91/293200191.db2.gz VSTIADCTFJDNAH-UHFFFAOYSA-N -2 3 338.360 2.599 20 0 EFADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)CC(=O)[O-] ZINC000290927946 294222538 /nfs/dbraw/zinc/22/25/38/294222538.db2.gz INWMHXLJEHDDDU-ZETCQYMHSA-N -2 3 345.364 2.546 20 0 EFADHL O=C(CCCCCC(=O)[N-]OC/C=C/Cl)[N-]OC/C=C/Cl ZINC000291723768 294463880 /nfs/dbraw/zinc/46/38/80/294463880.db2.gz FBYLPROIIIKXOA-KBXRYBNXSA-N -2 3 339.219 2.538 20 0 EFADHL O=C(c1nn(-c2ccccc2)cc1[O-])N1CCCc2cccc([O-])c21 ZINC000182923261 304613828 /nfs/dbraw/zinc/61/38/28/304613828.db2.gz RGMMGXXMFVELEQ-UHFFFAOYSA-N -2 3 335.363 2.877 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c1F ZINC000313214593 311231400 /nfs/dbraw/zinc/23/14/00/311231400.db2.gz DTQTXJFSTAYCGS-NWDGAFQWSA-N -2 3 331.409 2.692 20 0 EFADHL C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2ccc(F)cc2Cl)(C(=O)[O-])C1 ZINC000315287842 311234323 /nfs/dbraw/zinc/23/43/23/311234323.db2.gz HAACIBIRTOTHJN-YMTOWFKASA-N -2 3 349.811 2.791 20 0 EFADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000316206933 311235113 /nfs/dbraw/zinc/23/51/13/311235113.db2.gz FSNAFZQSBAUWNT-ZJUUUORDSA-N -2 3 335.372 2.523 20 0 EFADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000317165077 311235593 /nfs/dbraw/zinc/23/55/93/311235593.db2.gz KQQWIBLJPWUHCF-NSHDSACASA-N -2 3 335.372 2.523 20 0 EFADHL O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccccc1F ZINC000318701648 311236558 /nfs/dbraw/zinc/23/65/58/311236558.db2.gz DOELATBCEKRKIY-CYBMUJFWSA-N -2 3 329.393 2.528 20 0 EFADHL Cc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c([O-])c1 ZINC000328478407 311245978 /nfs/dbraw/zinc/24/59/78/311245978.db2.gz FYBVTYDHHONIBG-MRXNPFEDSA-N -2 3 338.363 2.608 20 0 EFADHL COc1cc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc(OC)c1[O-] ZINC000350834200 311827233 /nfs/dbraw/zinc/82/72/33/311827233.db2.gz IBJYRGJHDJLAOF-UHFFFAOYSA-N -2 3 332.287 2.971 20 0 EFADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)C1 ZINC000515347985 315610783 /nfs/dbraw/zinc/61/07/83/315610783.db2.gz SBHSLJKPKVEVRB-CZMCAQCFSA-N -2 3 345.829 2.696 20 0 EFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000518878876 315832401 /nfs/dbraw/zinc/83/24/01/315832401.db2.gz SXPXPUQOTZKAGS-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]C1(C)CCC(F)(F)CC1 ZINC000530149318 317063330 /nfs/dbraw/zinc/06/33/30/317063330.db2.gz AVYCGHKUFNUSSO-UHFFFAOYSA-N -2 3 337.344 2.533 20 0 EFADHL C[C@]1(C(=O)[O-])CCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000530206575 317079591 /nfs/dbraw/zinc/07/95/91/317079591.db2.gz LYNOUZGQEQMUPP-QGZVFWFLSA-N -2 3 327.340 2.521 20 0 EFADHL COc1cccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2[O-])c1 ZINC000536421110 317632826 /nfs/dbraw/zinc/63/28/26/317632826.db2.gz QGOQSXCRARGIPW-OAHLLOKOSA-N -2 3 329.352 2.655 20 0 EFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(Br)o1 ZINC000546071843 317952426 /nfs/dbraw/zinc/95/24/26/317952426.db2.gz HZIXFWGSUQLZJL-UHFFFAOYSA-N -2 3 336.138 2.688 20 0 EFADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000547578768 318020010 /nfs/dbraw/zinc/02/00/10/318020010.db2.gz JPVSWWMLBWTQCE-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000547613197 318021624 /nfs/dbraw/zinc/02/16/24/318021624.db2.gz ZPOQCVWJKOAXMT-RNCFNFMXSA-N -2 3 335.372 2.523 20 0 EFADHL CC1([C@@H]([N-]S(=O)(=O)c2ccccc2F)C(=O)[O-])CCCCC1 ZINC000547701722 318031772 /nfs/dbraw/zinc/03/17/72/318031772.db2.gz YXEBBGQYJCSMHX-ZDUSSCGKSA-N -2 3 329.393 2.528 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)c(F)c1 ZINC000547879035 318050949 /nfs/dbraw/zinc/05/09/49/318050949.db2.gz DMDLQUQCXCWQKL-NSHDSACASA-N -2 3 331.409 2.549 20 0 EFADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000547939960 318054202 /nfs/dbraw/zinc/05/42/02/318054202.db2.gz QHNUYGSAJJICKC-JOYOIKCWSA-N -2 3 335.372 2.523 20 0 EFADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000547939961 318054286 /nfs/dbraw/zinc/05/42/86/318054286.db2.gz QHNUYGSAJJICKC-SKDRFNHKSA-N -2 3 335.372 2.523 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1F ZINC000548193645 318083527 /nfs/dbraw/zinc/08/35/27/318083527.db2.gz BBSQONBFORWTBT-NSHDSACASA-N -2 3 349.792 2.645 20 0 EFADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(F)cc2F)(CC(=O)[O-])C1 ZINC000548227380 318085460 /nfs/dbraw/zinc/08/54/60/318085460.db2.gz NUYIVLRWIIUQQG-BONVTDFDSA-N -2 3 347.383 2.524 20 0 EFADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)Cc1ccccc1F ZINC000548529710 318117909 /nfs/dbraw/zinc/11/79/09/318117909.db2.gz INHCZVVFBWVQFD-UHFFFAOYSA-N -2 3 341.335 2.913 20 0 EFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000548540873 318118650 /nfs/dbraw/zinc/11/86/50/318118650.db2.gz DEDWJPPBHSMGCY-HNNXBMFYSA-N -2 3 343.376 2.660 20 0 EFADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(F)c(F)c2)(CC(=O)[O-])C1 ZINC000548557359 318119596 /nfs/dbraw/zinc/11/95/96/318119596.db2.gz YAUMHPZVVJWEOS-BONVTDFDSA-N -2 3 347.383 2.524 20 0 EFADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000548593408 318121857 /nfs/dbraw/zinc/12/18/57/318121857.db2.gz UIHYACOEBSRRJC-BDAKNGLRSA-N -2 3 339.866 2.959 20 0 EFADHL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000551593430 318210515 /nfs/dbraw/zinc/21/05/15/318210515.db2.gz XMPHAODCLWQYPY-CQSZACIVSA-N -2 3 348.852 2.683 20 0 EFADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000555695111 318365953 /nfs/dbraw/zinc/36/59/53/318365953.db2.gz XERZFALMVCEDJS-GFCCVEGCSA-N -2 3 340.228 2.773 20 0 EFADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000555955188 318375297 /nfs/dbraw/zinc/37/52/97/318375297.db2.gz VONDWRGSAYXDKC-LLVKDONJSA-N -2 3 349.399 2.914 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000556703149 318400925 /nfs/dbraw/zinc/40/09/25/318400925.db2.gz NVXZCOXJIVFWNE-BXUZGUMPSA-N -2 3 339.438 2.797 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC(C)(C)C2)c(F)cc1F ZINC000556775701 318407996 /nfs/dbraw/zinc/40/79/96/318407996.db2.gz VERHNZXZPDTVQQ-HNNXBMFYSA-N -2 3 347.383 2.585 20 0 EFADHL CC1(C)CC[C@@]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])C1 ZINC000560418401 318549041 /nfs/dbraw/zinc/54/90/41/318549041.db2.gz SJOLFGWJYVXDCI-AWEZNQCLSA-N -2 3 349.811 2.791 20 0 EFADHL COC(=O)C1(CS(=O)(=O)[N-]c2c(C)cccc2[O-])CCCCC1 ZINC000562371462 318640678 /nfs/dbraw/zinc/64/06/78/318640678.db2.gz NWSDWTBUFRHXDS-UHFFFAOYSA-N -2 3 341.429 2.566 20 0 EFADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000562378720 318641509 /nfs/dbraw/zinc/64/15/09/318641509.db2.gz DLLIMSZUAKZUGE-UHFFFAOYSA-N -2 3 326.201 2.525 20 0 EFADHL CC[C@H](CC[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000562651864 318677572 /nfs/dbraw/zinc/67/75/72/318677572.db2.gz UNHXWQFWJLRKEN-LLVKDONJSA-N -2 3 339.388 2.758 20 0 EFADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000563602435 318801570 /nfs/dbraw/zinc/80/15/70/318801570.db2.gz ISWQKPXRFCYVOL-JTQLQIEISA-N -2 3 325.361 2.511 20 0 EFADHL CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)C1 ZINC000564920588 318911377 /nfs/dbraw/zinc/91/13/77/318911377.db2.gz NUGUDGQVWSQDJY-UWVGGRQHSA-N -2 3 347.458 2.702 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000565597083 318985767 /nfs/dbraw/zinc/98/57/67/318985767.db2.gz KFOWLHUXMYKSLI-AWEZNQCLSA-N -2 3 335.381 2.642 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCCCC(C)(C)C ZINC000566178026 319044311 /nfs/dbraw/zinc/04/43/11/319044311.db2.gz VKXOMVVWOBRNPM-UHFFFAOYSA-N -2 3 349.474 2.950 20 0 EFADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)CCC(F)(F)F ZINC000566311467 319061695 /nfs/dbraw/zinc/06/16/95/319061695.db2.gz DFJZALURGRJYKR-UHFFFAOYSA-N -2 3 329.271 2.526 20 0 EFADHL CCCC1(C[N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)CCC1 ZINC000566735269 319105784 /nfs/dbraw/zinc/10/57/84/319105784.db2.gz CRTGWWARCJXYRS-UHFFFAOYSA-N -2 3 347.458 2.704 20 0 EFADHL CC[C@@H](CC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000566958503 319124999 /nfs/dbraw/zinc/12/49/99/319124999.db2.gz PLHXRYHGKOMVND-JTQLQIEISA-N -2 3 343.376 2.660 20 0 EFADHL C/C=C/C[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000567163945 319144378 /nfs/dbraw/zinc/14/43/78/319144378.db2.gz HQOUPVAGTIFWKM-PCAWENJQSA-N -2 3 341.360 2.578 20 0 EFADHL C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1C(=O)[O-] ZINC000567166238 319144738 /nfs/dbraw/zinc/14/47/38/319144738.db2.gz UJKMHRSIQOGFQI-ZYHUDNBSSA-N -2 3 341.367 2.624 20 0 EFADHL CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000567798750 319212699 /nfs/dbraw/zinc/21/26/99/319212699.db2.gz VAXIQMNAKPHVPC-UHFFFAOYSA-N -2 3 337.397 2.668 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@@H]3C2)o1 ZINC000567805565 319213121 /nfs/dbraw/zinc/21/31/21/319213121.db2.gz LVGXYRWYYWGQJB-IJLUTSLNSA-N -2 3 327.402 2.615 20 0 EFADHL CC[C@@](C)([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1nccs1 ZINC000568506656 319291063 /nfs/dbraw/zinc/29/10/63/319291063.db2.gz HEMSUFNCPLXNIZ-GFCCVEGCSA-N -2 3 346.455 2.507 20 0 EFADHL C[C@H](CC[N-]S(=O)(=O)c1ccc2ccccc2c1F)CC(=O)[O-] ZINC000572816909 319706131 /nfs/dbraw/zinc/70/61/31/319706131.db2.gz ZDWNYOWIOLBVFY-LLVKDONJSA-N -2 3 339.388 2.758 20 0 EFADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc2ccccc2c1F)CC(=O)[O-] ZINC000572816910 319706289 /nfs/dbraw/zinc/70/62/89/319706289.db2.gz ZDWNYOWIOLBVFY-NSHDSACASA-N -2 3 339.388 2.758 20 0 EFADHL C[C@H](c1ccccc1)[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000576870265 320055933 /nfs/dbraw/zinc/05/59/33/320055933.db2.gz QFESJXVRGKFPPC-QWRGUYRKSA-N -2 3 339.438 2.917 20 0 EFADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000577134222 320080337 /nfs/dbraw/zinc/08/03/37/320080337.db2.gz UQNYDEPKHDLYTL-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)c2cccs2)cc1C(=O)[O-] ZINC000578353600 320198738 /nfs/dbraw/zinc/19/87/38/320198738.db2.gz NJNRDJKQYFUUJI-UHFFFAOYSA-N -2 3 329.399 2.561 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1nc(C)cs1 ZINC000578440309 320206897 /nfs/dbraw/zinc/20/68/97/320206897.db2.gz RAUUNZAHODFXAX-QMMMGPOBSA-N -2 3 346.455 2.641 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2C2CC2)c1 ZINC000578605136 320220773 /nfs/dbraw/zinc/22/07/73/320220773.db2.gz AFXLAQDZACWIKT-JQWIXIFHSA-N -2 3 329.443 2.551 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@H]2CCC[C@H]2C2CC2)c1 ZINC000578605137 320220856 /nfs/dbraw/zinc/22/08/56/320220856.db2.gz AFXLAQDZACWIKT-PWSUYJOCSA-N -2 3 329.443 2.551 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCCc3ccccc32)o1 ZINC000578765117 320237931 /nfs/dbraw/zinc/23/79/31/320237931.db2.gz HWUITUJIXAZUFJ-ZDUSSCGKSA-N -2 3 335.381 2.724 20 0 EFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000013311852 323211076 /nfs/dbraw/zinc/21/10/76/323211076.db2.gz JXKGXICFKNYZKI-LLVKDONJSA-N -2 3 339.438 2.918 20 0 EFADHL Cc1ccc(NC(=O)c2n[n-]c3ccc([N+](=O)[O-])cc32)c(C(=O)[O-])c1 ZINC000184943513 323378361 /nfs/dbraw/zinc/37/83/61/323378361.db2.gz PLNVRIUTXQIYFS-UHFFFAOYSA-N -2 3 340.295 2.730 20 0 EFADHL C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2ccc(Cl)cc2F)(C(=O)[O-])C1 ZINC000385787094 323758495 /nfs/dbraw/zinc/75/84/95/323758495.db2.gz MWEUMWDFKOTZQL-XPTSAGLGSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000387930887 323767577 /nfs/dbraw/zinc/76/75/77/323767577.db2.gz VSNIWPKHLXGJFI-SMDDNHRTSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c(C)c1 ZINC000579953372 324065801 /nfs/dbraw/zinc/06/58/01/324065801.db2.gz XOPWEZYIKOGQJE-GFCCVEGCSA-N -2 3 337.397 2.504 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1F ZINC000580687315 324211318 /nfs/dbraw/zinc/21/13/18/324211318.db2.gz KXTPMVVRHHKCGX-UHFFFAOYSA-N -2 3 345.298 2.744 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccccc2)o1 ZINC000581009752 324286851 /nfs/dbraw/zinc/28/68/51/324286851.db2.gz VKOQVZNXYAEYDP-QWHCGFSZSA-N -2 3 335.381 2.592 20 0 EFADHL CCC[C@H](CC)S(=O)(=O)[N-]c1c(OC)cc(OC)cc1C(=O)[O-] ZINC000581194512 324325965 /nfs/dbraw/zinc/32/59/65/324325965.db2.gz DMVOXMHEXKYXTE-NSHDSACASA-N -2 3 345.417 2.722 20 0 EFADHL Cc1ccc([C@@H]2C[C@H]2[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000581427180 324375483 /nfs/dbraw/zinc/37/54/83/324375483.db2.gz HQWWGYZMQHDEFT-QWHCGFSZSA-N -2 3 337.422 2.589 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)CCC(C)(C)C ZINC000581486335 324389307 /nfs/dbraw/zinc/38/93/07/324389307.db2.gz GVCAPFXOXDEKSM-SECBINFHSA-N -2 3 349.474 2.948 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]Cc2ccccc2C)c1 ZINC000184883192 473262150 /nfs/dbraw/zinc/26/21/50/473262150.db2.gz QCKGYGKMZYGNHW-UHFFFAOYSA-N -2 3 337.372 2.619 20 0 EFADHL CCc1ccc(C[N-]S(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])s1 ZINC000184927796 473275754 /nfs/dbraw/zinc/27/57/54/473275754.db2.gz FNASEBLQACVJAT-UHFFFAOYSA-N -2 3 343.426 2.697 20 0 EFADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)Cc1cccs1 ZINC000185065824 473317647 /nfs/dbraw/zinc/31/76/47/473317647.db2.gz WLYOCIGYXLNPEK-SECBINFHSA-N -2 3 345.467 2.665 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000006372999 471543262 /nfs/dbraw/zinc/54/32/62/471543262.db2.gz UFDLWQHLUTYJMQ-WCIBSUBMSA-N -2 3 333.365 2.594 20 0 EFADHL C[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013306351 471825106 /nfs/dbraw/zinc/82/51/06/471825106.db2.gz YTYRHHMOFPDNOZ-NSHDSACASA-N -2 3 339.438 2.746 20 0 EFADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000035085491 471993583 /nfs/dbraw/zinc/99/35/83/471993583.db2.gz YHMIUIJLCLEUCZ-NSHDSACASA-N -2 3 340.228 2.915 20 0 EFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c1C ZINC000026543893 472142606 /nfs/dbraw/zinc/14/26/06/472142606.db2.gz ATOFJBJUXWLEDJ-UHFFFAOYSA-N -2 3 347.392 2.737 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000085325603 472238075 /nfs/dbraw/zinc/23/80/75/472238075.db2.gz BJRXCXHSWMNMCD-SCZZXKLOSA-N -2 3 338.212 2.525 20 0 EFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000087491885 472340018 /nfs/dbraw/zinc/34/00/18/472340018.db2.gz FVBCCKSNPDPQAD-SECBINFHSA-N -2 3 340.228 2.629 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)ccc1[O-] ZINC000030601369 472341453 /nfs/dbraw/zinc/34/14/53/472341453.db2.gz WBUNZJFRHGDCHI-UHFFFAOYSA-N -2 3 340.788 2.805 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c(C)c1 ZINC000031665383 472387812 /nfs/dbraw/zinc/38/78/12/472387812.db2.gz DMYOJLBTGKIFRU-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1C ZINC000031665371 472387844 /nfs/dbraw/zinc/38/78/44/472387844.db2.gz SUTXMIZUAREHJO-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC000031665573 472387910 /nfs/dbraw/zinc/38/79/10/472387910.db2.gz KYFQAQHTWMCEGY-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL O=C([N-]c1n[n-]c(-c2ccco2)n1)c1cnc([C@H]2CCCO2)s1 ZINC000089689398 472486795 /nfs/dbraw/zinc/48/67/95/472486795.db2.gz XFTJPJFCRVIAOX-SECBINFHSA-N -2 3 331.357 2.625 20 0 EFADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000058341415 472550249 /nfs/dbraw/zinc/55/02/49/472550249.db2.gz NOZJOJHWRMOVNZ-UHFFFAOYSA-N -2 3 335.381 2.568 20 0 EFADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1c[n-]c2ccccc2c1=O ZINC000071803297 472569294 /nfs/dbraw/zinc/56/92/94/472569294.db2.gz WFESCOUEVIRMTP-UHFFFAOYSA-N -2 3 348.318 2.536 20 0 EFADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cnc2ccccc2c1[O-] ZINC000071803297 472569299 /nfs/dbraw/zinc/56/92/99/472569299.db2.gz WFESCOUEVIRMTP-UHFFFAOYSA-N -2 3 348.318 2.536 20 0 EFADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000078710488 472757285 /nfs/dbraw/zinc/75/72/85/472757285.db2.gz HZXUERJDYJKDLG-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL Cc1ccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c([O-])c1C ZINC000105649272 472765573 /nfs/dbraw/zinc/76/55/73/472765573.db2.gz JLTOIMKSNSWLLN-UHFFFAOYSA-N -2 3 325.324 2.605 20 0 EFADHL Cc1ccc(C#N)cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C ZINC000063878513 472824320 /nfs/dbraw/zinc/82/43/20/472824320.db2.gz KQEKVQJPLLJZMP-UHFFFAOYSA-N -2 3 344.392 2.983 20 0 EFADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(C)cc1[O-] ZINC000122574454 473033184 /nfs/dbraw/zinc/03/31/84/473033184.db2.gz LZBCYVVGTHHTFW-UHFFFAOYSA-N -2 3 334.397 2.715 20 0 EFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000136255755 473147142 /nfs/dbraw/zinc/14/71/42/473147142.db2.gz REIVGEGHSDDXQK-JTQLQIEISA-N -2 3 340.228 2.771 20 0 EFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000123896894 473196072 /nfs/dbraw/zinc/19/60/72/473196072.db2.gz FGBSVXFKHZDWEO-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000263539939 473771477 /nfs/dbraw/zinc/77/14/77/473771477.db2.gz BZSPCLHKENIPHV-UHFFFAOYSA-N -2 3 340.228 2.915 20 0 EFADHL O=C([O-])[C@@H]1CCCN1C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000263564405 473777836 /nfs/dbraw/zinc/77/78/36/473777836.db2.gz DYLFRSSTDNQFLW-INIZCTEOSA-N -2 3 341.363 2.660 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)c(F)c1 ZINC000174270767 474015936 /nfs/dbraw/zinc/01/59/36/474015936.db2.gz JUXQORIKLFCFFX-UHFFFAOYSA-N -2 3 343.763 2.656 20 0 EFADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC(=O)[O-] ZINC000275025497 474046496 /nfs/dbraw/zinc/04/64/96/474046496.db2.gz PIIVECWXCPRJNE-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1noc([N-]C(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])n1 ZINC000175517374 474239872 /nfs/dbraw/zinc/23/98/72/474239872.db2.gz YSVCDNXCMOJCLA-UHFFFAOYSA-N -2 3 327.344 2.645 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(=O)[O-])C2)sc1Cl ZINC000231806970 474263730 /nfs/dbraw/zinc/26/37/30/474263730.db2.gz FYDCUJOWYRWTAY-DTWKUNHWSA-N -2 3 337.850 2.632 20 0 EFADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000175689565 474282625 /nfs/dbraw/zinc/28/26/25/474282625.db2.gz QSMGPDWPNZWQDT-UHFFFAOYSA-N -2 3 334.397 2.714 20 0 EFADHL CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000236944622 474307815 /nfs/dbraw/zinc/30/78/15/474307815.db2.gz ZDMDWJWQBWJVBN-ZYHUDNBSSA-N -2 3 329.393 2.771 20 0 EFADHL COc1ccc(OCCS(=O)(=O)[N-]c2ccc(C)cc2[O-])cc1 ZINC000271351085 474505043 /nfs/dbraw/zinc/50/50/43/474505043.db2.gz LLFAETWIRPWCEA-UHFFFAOYSA-N -2 3 337.397 2.530 20 0 EFADHL COCCS(=O)(=O)[N-]c1cc(-c2ccccc2)sc1C(=O)[O-] ZINC000340903427 474763665 /nfs/dbraw/zinc/76/36/65/474763665.db2.gz RTDHDFFYSKGXJV-UHFFFAOYSA-N -2 3 341.410 2.501 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2C)cc1CC(=O)[O-] ZINC000340907636 474768316 /nfs/dbraw/zinc/76/83/16/474768316.db2.gz BPUZIWINBCOAAS-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@@H]1C ZINC000316954003 474882822 /nfs/dbraw/zinc/88/28/22/474882822.db2.gz YYNJYFWTIPMXPG-KWQFWETISA-N -2 3 347.820 2.514 20 0 EFADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000319880139 474904638 /nfs/dbraw/zinc/90/46/38/474904638.db2.gz QDBZZBTUPZHVAV-JQWIXIFHSA-N -2 3 329.393 2.771 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1 ZINC000320448875 474911673 /nfs/dbraw/zinc/91/16/73/474911673.db2.gz NGZJOIPGSYDNPS-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000320693952 474914502 /nfs/dbraw/zinc/91/45/02/474914502.db2.gz QUBAAPMJXBALMI-UHFFFAOYSA-N -2 3 335.381 2.513 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1F ZINC000320740869 474917822 /nfs/dbraw/zinc/91/78/22/474917822.db2.gz VZHKSCLPUPPYCZ-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])cc1C ZINC000321685497 474930999 /nfs/dbraw/zinc/93/09/99/474930999.db2.gz XUEUIWPFEZMPDB-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000323889140 474957816 /nfs/dbraw/zinc/95/78/16/474957816.db2.gz OQHWJHVAPZZQAW-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])ccc1C#N ZINC000324113294 474960489 /nfs/dbraw/zinc/96/04/89/474960489.db2.gz RELWXFUVVYRQRR-UHFFFAOYSA-N -2 3 334.328 2.505 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1C(=O)[O-] ZINC000325110560 474982944 /nfs/dbraw/zinc/98/29/44/474982944.db2.gz DSDCUFTVUOTBOR-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)ccc1C(=O)[O-] ZINC000326284294 475001783 /nfs/dbraw/zinc/00/17/83/475001783.db2.gz DKWNRTJFUYKCBF-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000341351151 475043692 /nfs/dbraw/zinc/04/36/92/475043692.db2.gz ACPVWWBGEJXOBR-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c(F)c1 ZINC000337736891 475283965 /nfs/dbraw/zinc/28/39/65/475283965.db2.gz AVFBPADCGIILAB-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL Cc1nc(C=Cc2ccccc2OC(F)F)[n-]c(=O)c1CC(=O)[O-] ZINC000347418274 475310601 /nfs/dbraw/zinc/31/06/01/475310601.db2.gz NLLUCKSYZVHAME-VOTSOKGWSA-N -2 3 336.294 2.890 20 0 EFADHL CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC000663117618 482077242 /nfs/dbraw/zinc/07/72/42/482077242.db2.gz ZTMQIGIANGHCDT-JTQLQIEISA-N -2 3 330.178 2.840 20 0 EFADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000297132074 475623735 /nfs/dbraw/zinc/62/37/35/475623735.db2.gz HMOCXHNYDFLANR-YGRLFVJLSA-N -2 3 347.383 2.667 20 0 EFADHL COCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000342972587 475665869 /nfs/dbraw/zinc/66/58/69/475665869.db2.gz RFENZACIZQZTCR-UHFFFAOYSA-N -2 3 349.408 2.683 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1O ZINC000348454865 475677284 /nfs/dbraw/zinc/67/72/84/475677284.db2.gz ZXKCGVDVYXHCHE-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@H]2C)c1 ZINC000346675751 475753961 /nfs/dbraw/zinc/75/39/61/475753961.db2.gz QJDZUVVSNITVDX-MNOVXSKESA-N -2 3 329.393 2.547 20 0 EFADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000358564318 475774674 /nfs/dbraw/zinc/77/46/74/475774674.db2.gz JLHDYSHDMUIANU-UHFFFAOYSA-N -2 3 349.408 2.902 20 0 EFADHL COc1c(F)ccc(F)c1C(=O)[N-]c1n[n-]c(-c2ccc(C)o2)n1 ZINC000353511928 476033563 /nfs/dbraw/zinc/03/35/63/476033563.db2.gz VUBHTVFYLPSEJA-UHFFFAOYSA-N -2 3 334.282 2.912 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]ccc3c2)cc1C(=O)[O-] ZINC000353577105 476093421 /nfs/dbraw/zinc/09/34/21/476093421.db2.gz KAQHYQMWCBLVRK-UHFFFAOYSA-N -2 3 346.364 2.676 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-] ZINC000362230605 476096020 /nfs/dbraw/zinc/09/60/20/476096020.db2.gz XOHMXAAJNRHICV-LBPRGKRZSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])c(F)c1 ZINC000362231768 476096915 /nfs/dbraw/zinc/09/69/15/476096915.db2.gz FKSHWVHXXILARB-LBPRGKRZSA-N -2 3 331.409 2.692 20 0 EFADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000362233568 476098496 /nfs/dbraw/zinc/09/84/96/476098496.db2.gz KRQKEYJZWWVPHS-NSHDSACASA-N -2 3 335.372 2.523 20 0 EFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)cc(F)c1F ZINC000336865274 476148440 /nfs/dbraw/zinc/14/84/40/476148440.db2.gz CVNKRVUOOWVOMG-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(O)c2)c(C)c1CC(=O)[O-] ZINC000336878589 476166465 /nfs/dbraw/zinc/16/64/65/476166465.db2.gz GQUFLUGDDLWPTI-UHFFFAOYSA-N -2 3 349.408 2.745 20 0 EFADHL CCc1oc(C(=O)[N-]c2n[n-]c(-c3ccc(C)o3)n2)cc1C(=O)OC ZINC000338823676 476215158 /nfs/dbraw/zinc/21/51/58/476215158.db2.gz YSYQERLEYQBTOR-UHFFFAOYSA-N -2 3 344.327 2.567 20 0 EFADHL CC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1F ZINC000350517562 476226621 /nfs/dbraw/zinc/22/66/21/476226621.db2.gz RRCUIDMCHQHJBP-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1C(=O)[O-] ZINC000357204155 476289144 /nfs/dbraw/zinc/28/91/44/476289144.db2.gz SFGWYQSASOSZQW-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000357362737 476346180 /nfs/dbraw/zinc/34/61/80/476346180.db2.gz TZYNMXHTGDJVCQ-UHFFFAOYSA-N -2 3 325.777 2.824 20 0 EFADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000387625153 476773674 /nfs/dbraw/zinc/77/36/74/476773674.db2.gz XBNSEMAVBKAKIK-SNVBAGLBSA-N -2 3 335.372 2.523 20 0 EFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000391713572 476816370 /nfs/dbraw/zinc/81/63/70/476816370.db2.gz AOAHLMQXAWHDTH-SNVBAGLBSA-N -2 3 340.228 2.915 20 0 EFADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccco3)c2)n1 ZINC000370468635 476824664 /nfs/dbraw/zinc/82/46/64/476824664.db2.gz JXLAFBLAXHFOIL-UHFFFAOYSA-N -2 3 345.380 2.805 20 0 EFADHL Cc1o[n-]c(=NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])c1C ZINC000452166935 476862793 /nfs/dbraw/zinc/86/27/93/476862793.db2.gz UIWQDLMLWWTMLS-UHFFFAOYSA-N -2 3 340.383 2.980 20 0 EFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000399478957 476884051 /nfs/dbraw/zinc/88/40/51/476884051.db2.gz XCNSVBQNVVWTOT-UFBFGSQYSA-N -2 3 337.800 2.503 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C(=O)[O-])C(C)C)sc1Cl ZINC000399728076 476885031 /nfs/dbraw/zinc/88/50/31/476885031.db2.gz KYGFCUCJVLWIEY-SCZZXKLOSA-N -2 3 339.866 2.734 20 0 EFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000400393176 476888363 /nfs/dbraw/zinc/88/83/63/476888363.db2.gz NHGKCOAFYGHWMF-YUMQZZPRSA-N -2 3 325.839 2.569 20 0 EFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])oc1C)CC(F)(F)F ZINC000402618834 476906652 /nfs/dbraw/zinc/90/66/52/476906652.db2.gz UNRIKPHVMAKSLE-QMMMGPOBSA-N -2 3 343.323 2.543 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c(F)c1 ZINC000404968822 476924701 /nfs/dbraw/zinc/92/47/01/476924701.db2.gz MLZIFIIXITYQQL-LLVKDONJSA-N -2 3 331.409 2.692 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)c1 ZINC000432007243 477137613 /nfs/dbraw/zinc/13/76/13/477137613.db2.gz MEEXADYZHTVYLP-LLVKDONJSA-N -2 3 329.352 2.916 20 0 EFADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC000424367546 477381321 /nfs/dbraw/zinc/38/13/21/477381321.db2.gz MOVOTUDKONHLCT-UHFFFAOYSA-N -2 3 349.836 2.518 20 0 EFADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2C[C@@H](C)c3ccccc32)c1 ZINC000436718697 477569508 /nfs/dbraw/zinc/56/95/08/477569508.db2.gz FXOFNAZBVSDMOT-LLVKDONJSA-N -2 3 347.392 2.711 20 0 EFADHL O=C(c1cc2ccccc2cc1[O-])N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000436793518 477591321 /nfs/dbraw/zinc/59/13/21/477591321.db2.gz SAJHUFJUAIXLKF-CYBMUJFWSA-N -2 3 339.351 2.654 20 0 EFADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436821729 477601707 /nfs/dbraw/zinc/60/17/07/477601707.db2.gz XXRVMEMYETUGQR-UHFFFAOYSA-N -2 3 349.272 2.843 20 0 EFADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436821729 477601711 /nfs/dbraw/zinc/60/17/11/477601711.db2.gz XXRVMEMYETUGQR-UHFFFAOYSA-N -2 3 349.272 2.843 20 0 EFADHL O=c1cc(C=Cc2cc(F)c([O-])c(F)c2)nc(-c2ccncc2)[n-]1 ZINC000436932191 477639276 /nfs/dbraw/zinc/63/92/76/477639276.db2.gz MQYSCXXTIZZRCF-UPHRSURJSA-N -2 3 327.290 2.986 20 0 EFADHL Cc1cc(C)c(-c2cc(=NC(=O)C(=O)c3ccc([O-])cc3)[nH][n-]2)cc1C ZINC000436931115 477639858 /nfs/dbraw/zinc/63/98/58/477639858.db2.gz JLAJBRFVPCKOFP-UHFFFAOYSA-N -2 3 349.390 2.951 20 0 EFADHL Cc1cccc(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000436930419 477639877 /nfs/dbraw/zinc/63/98/77/477639877.db2.gz HQOCYGSRLWSPIG-HNNXBMFYSA-N -2 3 327.380 2.907 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@@H](C)C2)cc1F ZINC000558589076 477891174 /nfs/dbraw/zinc/89/11/74/477891174.db2.gz XAULEWHVWJYENB-PSLIRLAXSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1[n-][nH]c(=NC(=O)c2csc(=NC3CC3)[n-]2)c1-c1ccccc1 ZINC000532652102 477966296 /nfs/dbraw/zinc/96/62/96/477966296.db2.gz VEHLRXYRTXMLNS-UHFFFAOYSA-N -2 3 339.424 2.512 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)CC2CCCCC2)cc1C(=O)[O-] ZINC000516648448 477967329 /nfs/dbraw/zinc/96/73/29/477967329.db2.gz VJIKWGSENLCZGA-SNVBAGLBSA-N -2 3 329.418 2.923 20 0 EFADHL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(C)cc1[O-] ZINC000421145444 477979861 /nfs/dbraw/zinc/97/98/61/477979861.db2.gz XRXLAVUOKPNUFL-HNNXBMFYSA-N -2 3 335.425 2.700 20 0 EFADHL CC[C@@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])OC ZINC000421158474 477989485 /nfs/dbraw/zinc/98/94/85/477989485.db2.gz SCHDSATYZZMARE-VIFPVBQESA-N -2 3 335.809 2.513 20 0 EFADHL CC[C@](C)(C[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000562645002 478296096 /nfs/dbraw/zinc/29/60/96/478296096.db2.gz UMUZVGQTGXNDIQ-MRXNPFEDSA-N -2 3 339.388 2.758 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])cc1F ZINC000581583364 478392564 /nfs/dbraw/zinc/39/25/64/478392564.db2.gz VBMPGOBKGCKJPF-JTQLQIEISA-N -2 3 335.372 2.585 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000570679514 478419346 /nfs/dbraw/zinc/41/93/46/478419346.db2.gz ZEXMBWQQHWARGH-OAHLLOKOSA-N -2 3 337.397 2.962 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@H]1C ZINC000563071327 478438178 /nfs/dbraw/zinc/43/81/78/478438178.db2.gz BFYHMQHBZIREQV-IVZWLZJFSA-N -2 3 347.458 2.558 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CC[C@H](C)C[C@@H]1C ZINC000563071329 478438851 /nfs/dbraw/zinc/43/88/51/478438851.db2.gz BFYHMQHBZIREQV-LPEHRKFASA-N -2 3 347.458 2.558 20 0 EFADHL O=C([O-])CCCc1ccccc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000563227167 478489792 /nfs/dbraw/zinc/48/97/92/478489792.db2.gz YQEGQUYNZNIGMZ-UHFFFAOYSA-N -2 3 339.335 2.788 20 0 EFADHL CC(C)(C)CC[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)C(=O)[O-] ZINC000570964078 478492414 /nfs/dbraw/zinc/49/24/14/478492414.db2.gz GRBODAXLMKQJNF-CQSZACIVSA-N -2 3 330.384 2.537 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCC[C@@H](C)CC1 ZINC000571162241 478535009 /nfs/dbraw/zinc/53/50/09/478535009.db2.gz LWMYNAZEBDDOSF-ZJUUUORDSA-N -2 3 347.458 2.702 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccc(C)cc1 ZINC000572033952 478736593 /nfs/dbraw/zinc/73/65/93/478736593.db2.gz NROKETGOZGHCDT-LLVKDONJSA-N -2 3 340.426 2.579 20 0 EFADHL C[C@]1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCC[C@@H]1C(=O)[O-] ZINC000583497946 478864780 /nfs/dbraw/zinc/86/47/80/478864780.db2.gz PVNDYJZOHCMFNL-PELKAZGASA-N -2 3 337.850 2.713 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@H]1CCC[C@H](C)C1 ZINC000573840425 479157194 /nfs/dbraw/zinc/15/71/94/479157194.db2.gz XPXLGWOGAAMNCO-UWVGGRQHSA-N -2 3 347.458 2.560 20 0 EFADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cnc(CC)s1)C(=O)[O-] ZINC000573949373 479181835 /nfs/dbraw/zinc/18/18/35/479181835.db2.gz YDTTVMLHEJSMQI-LLVKDONJSA-N -2 3 348.490 2.655 20 0 EFADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2ccccc2Cl)n[n-]1 ZINC000584878770 479269247 /nfs/dbraw/zinc/26/92/47/479269247.db2.gz IBRHNKSQONECMH-UHFFFAOYSA-N -2 3 346.865 2.901 20 0 EFADHL COC(=O)c1cc(Cl)cc(NC(=O)c2ccc([O-])c(F)c2)c1[O-] ZINC000588099260 479395723 /nfs/dbraw/zinc/39/57/23/479395723.db2.gz NMVMRFGQUWQTPW-UHFFFAOYSA-N -2 3 339.706 2.929 20 0 EFADHL CCOC(=O)c1cnc(NC(=O)c2cc([O-])ccc2C(F)(F)F)[n-]1 ZINC000590355653 479635287 /nfs/dbraw/zinc/63/52/87/479635287.db2.gz YXBLTSIKJXNWSQ-UHFFFAOYSA-N -2 3 343.261 2.563 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c(F)c1F ZINC000629295470 480204905 /nfs/dbraw/zinc/20/49/05/480204905.db2.gz PLCQCIYYTVHYMY-JTQLQIEISA-N -2 3 335.372 2.585 20 0 EFADHL CCOc1cc(CN2CC[C@H](C(=O)[O-])[C@H](C)C2)cc(Cl)c1[O-] ZINC000629772940 480398237 /nfs/dbraw/zinc/39/82/37/480398237.db2.gz ZSQNYIVKBNDXGC-PWSUYJOCSA-N -2 3 327.808 2.987 20 0 EFADHL CCOc1cc(CN2CC[C@@H](C(=O)[O-])[C@H](C)C2)cc(Cl)c1[O-] ZINC000629772941 480399858 /nfs/dbraw/zinc/39/98/58/480399858.db2.gz ZSQNYIVKBNDXGC-ZYHUDNBSSA-N -2 3 327.808 2.987 20 0 EFADHL CC(C)(F)C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC000634653785 480401023 /nfs/dbraw/zinc/40/10/23/480401023.db2.gz JUMPSKRUYXOFKR-UHFFFAOYSA-N -2 3 331.390 2.626 20 0 EFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccs1 ZINC000650238561 480953617 /nfs/dbraw/zinc/95/36/17/480953617.db2.gz IGCONNOVBIKZBH-LLVKDONJSA-N -2 3 347.364 2.521 20 0 EFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1ccccc1Cl)c1cccs1 ZINC000650238525 480953802 /nfs/dbraw/zinc/95/38/02/480953802.db2.gz DHQNLCLYSQIAON-SNVBAGLBSA-N -2 3 345.829 2.896 20 0 EFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccs1 ZINC000650238562 480954308 /nfs/dbraw/zinc/95/43/08/480954308.db2.gz IGCONNOVBIKZBH-NSHDSACASA-N -2 3 347.364 2.521 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C1CCCCC1 ZINC000645961668 480990809 /nfs/dbraw/zinc/99/08/09/480990809.db2.gz SVWBPCLAXWDVMF-CYBMUJFWSA-N -2 3 329.418 2.923 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)o1 ZINC000645963911 480992952 /nfs/dbraw/zinc/99/29/52/480992952.db2.gz DTDLJTXZHVDIFF-HNNXBMFYSA-N -2 3 335.381 2.798 20 0 EFADHL CC[C@](C)([N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC000646007105 481018095 /nfs/dbraw/zinc/01/80/95/481018095.db2.gz BHVMRDPOBLHPNO-AWEZNQCLSA-N -2 3 327.427 2.741 20 0 EFADHL O=C([O-])c1ccc(Cl)c([N-]S(=O)(=O)CCC(F)(F)F)c1 ZINC000650387460 481063293 /nfs/dbraw/zinc/06/32/93/481063293.db2.gz MEJZLFMEPCKXOY-UHFFFAOYSA-N -2 3 331.699 2.732 20 0 EFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000650427378 481091094 /nfs/dbraw/zinc/09/10/94/481091094.db2.gz HSJAEJMFPOZRFS-ZETCQYMHSA-N -2 3 338.212 2.525 20 0 EFADHL CC[C@H](C(=O)[O-])N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000653343765 481239680 /nfs/dbraw/zinc/23/96/80/481239680.db2.gz DMKXMCFBDQVPBE-MRXNPFEDSA-N -2 3 343.379 2.906 20 0 EFADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000669623370 481245753 /nfs/dbraw/zinc/24/57/53/481245753.db2.gz FRVGKDROUHJOFO-NSHDSACASA-N -2 3 349.399 2.914 20 0 EFADHL COCCN(CC(=O)[O-])C(=O)c1cc(C(C)C)cc(C(C)C)c1[O-] ZINC000653536058 481311729 /nfs/dbraw/zinc/31/17/29/481311729.db2.gz JZXYQGNZCFCLTQ-UHFFFAOYSA-N -2 3 337.416 2.812 20 0 EFADHL CC(C)c1cc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c([O-])c(C(C)C)c1 ZINC000653545070 481317394 /nfs/dbraw/zinc/31/73/94/481317394.db2.gz UOYLLQWKYLWURO-OAHLLOKOSA-N -2 3 335.400 2.565 20 0 EFADHL Cc1n[n-]c(=NC(=O)c2cc3cc(Br)sc3[n-]2)s1 ZINC000646626082 481409562 /nfs/dbraw/zinc/40/95/62/481409562.db2.gz QFMRTEHVWLNQJJ-UHFFFAOYSA-N -2 3 343.231 2.826 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])C(C)C ZINC000647127584 481650197 /nfs/dbraw/zinc/65/01/97/481650197.db2.gz WFKZSYJCLFBCNT-GFCCVEGCSA-N -2 3 341.351 2.824 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)oc1C(=O)[O-] ZINC000663420127 482223074 /nfs/dbraw/zinc/22/30/74/482223074.db2.gz FBWXGNHUWJPGFW-RWMBFGLXSA-N -2 3 341.429 2.923 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)oc1C(=O)[O-] ZINC000663421631 482223610 /nfs/dbraw/zinc/22/36/10/482223610.db2.gz WOJARWMBHAOAEI-UHFFFAOYSA-N -2 3 335.381 2.644 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C2CC2)oc1C(=O)[O-] ZINC000663425138 482226400 /nfs/dbraw/zinc/22/64/00/482226400.db2.gz WDPQDNBOHNOJPX-AWEZNQCLSA-N -2 3 349.408 2.586 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C3CC3)C2)oc1C(=O)[O-] ZINC000663426665 482227936 /nfs/dbraw/zinc/22/79/36/482227936.db2.gz MVQOSKFGIFQHRB-NWDGAFQWSA-N -2 3 327.402 2.533 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)CC(F)(F)F ZINC000663436414 482235644 /nfs/dbraw/zinc/23/56/44/482235644.db2.gz GWESMMVECGQELP-UHFFFAOYSA-N -2 3 345.364 2.703 20 0 EFADHL COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2ccc(C)cc2[O-])c1 ZINC000263203337 524190381 /nfs/dbraw/zinc/19/03/81/524190381.db2.gz OAJLTSNTRFEJAY-IBGZPJMESA-N -2 3 343.379 2.829 20 0 EFADHL C[C@H]1C[C@H](C(=O)[O-])CN(Cc2cccc([O-])c2Br)C1 ZINC000263028990 524876409 /nfs/dbraw/zinc/87/64/09/524876409.db2.gz GRSUXMBAUCFEHM-ONGXEEELSA-N -2 3 328.206 2.697 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCc3cc(F)ccc32)c1 ZINC000237964830 526407350 /nfs/dbraw/zinc/40/73/50/526407350.db2.gz JZYYPRMMGLFKBZ-LBPRGKRZSA-N -2 3 341.385 2.551 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cscc2C)ccc1[O-] ZINC000161591636 526930607 /nfs/dbraw/zinc/93/06/07/526930607.db2.gz OYIZDYWIWJWORT-UHFFFAOYSA-N -2 3 326.399 2.521 20 0 EFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1 ZINC000078365111 527638421 /nfs/dbraw/zinc/63/84/21/527638421.db2.gz CUUITOBFXVSYKX-UHFFFAOYSA-N -2 3 343.763 2.907 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c1F ZINC000313226877 545810437 /nfs/dbraw/zinc/81/04/37/545810437.db2.gz NGYQFCLNDPGDJK-JTQLQIEISA-N -2 3 343.401 2.690 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc(C(=O)[O-])c1 ZINC000350472223 546026530 /nfs/dbraw/zinc/02/65/30/546026530.db2.gz BMMGYRGJOVLFLO-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc(C(=O)[O-])c1 ZINC000507562399 546295743 /nfs/dbraw/zinc/29/57/43/546295743.db2.gz CYLIMNUDEFDOEK-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1C ZINC000507555640 546295968 /nfs/dbraw/zinc/29/59/68/546295968.db2.gz XRFNJNOETLOAOQ-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CC(C)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](CCF)C(=O)[O-])c1 ZINC000656165702 546705163 /nfs/dbraw/zinc/70/51/63/546705163.db2.gz YNCHKYHBUDVYTN-LLVKDONJSA-N -2 3 337.800 2.555 20 0 EFADHL C[C@H](CC(F)(F)F)CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-] ZINC000656509242 546823827 /nfs/dbraw/zinc/82/38/27/546823827.db2.gz PBFRXFTZFIMNOM-SSDOTTSWSA-N -2 3 343.298 2.854 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1[O-])C1CCCC1 ZINC000656620747 546866078 /nfs/dbraw/zinc/86/60/78/546866078.db2.gz GHXFXGICFABFOA-CQSZACIVSA-N -2 3 333.837 2.993 20 0 EFADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@@H](OC)C2CCCC2)c1 ZINC000656624079 546866972 /nfs/dbraw/zinc/86/69/72/546866972.db2.gz JMIARPICXHCABT-MRXNPFEDSA-N -2 3 327.446 2.902 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1cc([O-])c(F)cc1F)C1CCCC1 ZINC000656630742 546870182 /nfs/dbraw/zinc/87/01/82/546870182.db2.gz BKMXCUNHZQLAST-CQSZACIVSA-N -2 3 335.372 2.617 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc(F)c(Br)c2)[n-]c1=O ZINC000670370270 547474290 /nfs/dbraw/zinc/47/42/90/547474290.db2.gz WVEPPCVMMOKNDC-RQOWECAXSA-N -2 3 339.120 2.952 20 0 EFADHL COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000677793968 548768148 /nfs/dbraw/zinc/76/81/48/548768148.db2.gz DWYGAYCPYMOWEK-OAHLLOKOSA-N -2 3 329.352 2.655 20 0 EFADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2c([O-])cccc2O)CC1 ZINC000678344024 548904071 /nfs/dbraw/zinc/90/40/71/548904071.db2.gz UONRIVAZDIRFNU-UHFFFAOYSA-N -2 3 341.363 2.539 20 0 EFADHL COc1ccc(-n2cc([O-])c(C(=O)Nc3cccc([O-])c3F)n2)cc1 ZINC000679412232 549124519 /nfs/dbraw/zinc/12/45/19/549124519.db2.gz MWKOPZKKPYDLKQ-UHFFFAOYSA-N -2 3 343.314 2.684 20 0 EFADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2c([O-])cccc2F)CC1 ZINC000681311449 549507300 /nfs/dbraw/zinc/50/73/00/549507300.db2.gz SHCNMPMQODEJKG-UHFFFAOYSA-N -2 3 343.354 2.972 20 0 EFADHL O=C(CSc1n[n-]c(=S)s1)Nc1cccc(Cl)c1[O-] ZINC000759714554 575925035 /nfs/dbraw/zinc/92/50/35/575925035.db2.gz ZKDCXIVWAPQURM-UHFFFAOYSA-N -2 3 333.847 2.917 20 0 EFADHL Cc1ccsc1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761244689 576135086 /nfs/dbraw/zinc/13/50/86/576135086.db2.gz QOPLBPUIXHPURE-UHFFFAOYSA-N -2 3 347.364 2.511 20 0 EFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](C)C2)c1F ZINC000761264196 576137685 /nfs/dbraw/zinc/13/76/85/576137685.db2.gz DARDITHCXSILCG-BXKDBHETSA-N -2 3 329.393 2.689 20 0 EFADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1c([O-])cccc1Cl ZINC000769650319 577376871 /nfs/dbraw/zinc/37/68/71/577376871.db2.gz BPPCOLDBVKVDAF-UHFFFAOYSA-N -2 3 340.788 2.669 20 0 EFADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000828672171 601480180 /nfs/dbraw/zinc/48/01/80/601480180.db2.gz OGKWGIBOBUZSPD-GFCCVEGCSA-N -2 3 340.228 2.915 20 0 EFADHL CN(CCC(=O)[O-])Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000818467787 596996820 /nfs/dbraw/zinc/99/68/20/596996820.db2.gz XYXUKIHYFDRRMP-UHFFFAOYSA-N -2 3 333.369 2.563 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1C ZINC000391972806 597314234 /nfs/dbraw/zinc/31/42/34/597314234.db2.gz WVRZHUXSITZCES-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c(C)c1 ZINC000818244779 597314490 /nfs/dbraw/zinc/31/44/90/597314490.db2.gz MDWUJQPAKAXSDF-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(NC3CCC(C(=O)[O-])CC3)nc2)n1 ZINC000263567481 598145724 /nfs/dbraw/zinc/14/57/24/598145724.db2.gz XORABDAROMQDIR-UHFFFAOYSA-N -2 3 342.399 2.862 20 0 EFADHL C[C@@H](CN(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC000736568568 599739149 /nfs/dbraw/zinc/73/91/49/599739149.db2.gz FBMBCLFOEJDGDL-AWEZNQCLSA-N -2 3 341.407 2.970 20 0 EFADHL CC(C)[C@H]1CC[C@@H](C)C[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315868153 599769523 /nfs/dbraw/zinc/76/95/23/599769523.db2.gz NAKBDIMBTDPUDV-IJLUTSLNSA-N -2 3 329.418 2.717 20 0 EFADHL C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315841281 599770342 /nfs/dbraw/zinc/77/03/42/599770342.db2.gz KUMZJLHTWHRJOO-SECBINFHSA-N -2 3 343.788 2.541 20 0 EFADHL CC(C)CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736427802 599777975 /nfs/dbraw/zinc/77/79/75/599777975.db2.gz UXIHWWDPRFSDSX-NEPJUHHUSA-N -2 3 329.418 2.861 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2ccc(F)c(NC(=O)[O-])c2)c(=O)[n-]1 ZINC000738848799 600088867 /nfs/dbraw/zinc/08/88/67/600088867.db2.gz ZRSRYRYRUYIWHZ-UHFFFAOYSA-N -2 3 348.334 2.599 20 0 EFADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000740144156 600093605 /nfs/dbraw/zinc/09/36/05/600093605.db2.gz KSSFMSHWOSQVMW-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1C ZINC000738654775 600302901 /nfs/dbraw/zinc/30/29/01/600302901.db2.gz HCOVKLAPZQEKFO-UHFFFAOYSA-N -2 3 334.397 2.872 20 0 EFADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(Cl)ccc2F)s1 ZINC000739713070 600539125 /nfs/dbraw/zinc/53/91/25/600539125.db2.gz XKQCGLIUUXIWOK-UHFFFAOYSA-N -2 3 343.767 2.990 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(OCC2CC2)cc1 ZINC000740240343 600565700 /nfs/dbraw/zinc/56/57/00/600565700.db2.gz IOXCQRZNFBRRGN-UHFFFAOYSA-N -2 3 347.392 2.974 20 0 EFADHL CC(C)c1ccc(C(=O)NCc2cccc(OCC(=O)[O-])c2)c([O-])c1 ZINC000736513636 600648274 /nfs/dbraw/zinc/64/82/74/600648274.db2.gz SWJOTXPSEVIKDF-UHFFFAOYSA-N -2 3 343.379 2.909 20 0 EFADHL COC(=O)Nc1ccc(C(=O)O[C@@H](C(=O)[O-])c2ccccc2)cc1[O-] ZINC000831209757 600730056 /nfs/dbraw/zinc/73/00/56/600730056.db2.gz JPBUNZUFLGNEFE-CQSZACIVSA-N -2 3 345.307 2.553 20 0 EFADHL COC(=O)Nc1ccc(C(=O)OCc2cccc(C(=O)[O-])c2)cc1[O-] ZINC000831209643 600731210 /nfs/dbraw/zinc/73/12/10/600731210.db2.gz DUBHEFUJHNFILF-UHFFFAOYSA-N -2 3 345.307 2.626 20 0 EFADHL COc1ccc([O-])c(C(=O)N2C[C@H](CC(=O)[O-])c3ccccc32)c1 ZINC000325317993 600851146 /nfs/dbraw/zinc/85/11/46/600851146.db2.gz CEEDUWXIPSVWCE-NSHDSACASA-N -2 3 327.336 2.620 20 0 EFADHL O=C([O-])C[C@H]1CN(C(=O)c2nnc3ccccc3c2[O-])c2ccccc21 ZINC000739654080 600910036 /nfs/dbraw/zinc/91/00/36/600910036.db2.gz RLPSAQPBGGFWDP-NSHDSACASA-N -2 3 349.346 2.554 20 0 EFADHL CCCc1ncc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)s1 ZINC000737047208 601024607 /nfs/dbraw/zinc/02/46/07/601024607.db2.gz RQSCXXIDXJAYPD-UHFFFAOYSA-N -2 3 340.430 2.607 20 0 EFADHL O=C([O-])[C@@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccccc1F ZINC000833352761 601098377 /nfs/dbraw/zinc/09/83/77/601098377.db2.gz ZGDGPBQDFFHIOO-AWEZNQCLSA-N -2 3 330.271 2.792 20 0 EFADHL O=C([O-])[C@@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccccc1F ZINC000833352761 601098380 /nfs/dbraw/zinc/09/83/80/601098380.db2.gz ZGDGPBQDFFHIOO-AWEZNQCLSA-N -2 3 330.271 2.792 20 0 EFADHL COc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000832169896 601165369 /nfs/dbraw/zinc/16/53/69/601165369.db2.gz WJHHMOIBWTVXRA-BDJLRTHQSA-N -2 3 329.352 2.593 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccccc2Cl)cc1C(=O)[O-] ZINC000833028110 601215012 /nfs/dbraw/zinc/21/50/12/601215012.db2.gz JIIUKBJOAQNAPM-MRVPVSSYSA-N -2 3 343.788 2.979 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCC2CCCC2)c1F ZINC000314424072 601229948 /nfs/dbraw/zinc/22/99/48/601229948.db2.gz DVOHKSVAMKGSGH-UHFFFAOYSA-N -2 3 333.356 2.522 20 0 EFADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@@H](C)C1 ZINC000320409034 601235683 /nfs/dbraw/zinc/23/56/83/601235683.db2.gz BNIMNIMNKLMWIE-WCABBAIRSA-N -2 3 347.383 2.766 20 0 EFADHL C[C@@H]1CCC[C@H](C)[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828234032 601236737 /nfs/dbraw/zinc/23/67/37/601236737.db2.gz UHIHOSXSJDWZRH-QRJZZWFUSA-N -2 3 347.383 2.766 20 0 EFADHL CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000391285139 601238124 /nfs/dbraw/zinc/23/81/24/601238124.db2.gz OYUDSXFKGJRMJG-ZJUUUORDSA-N -2 3 347.383 2.910 20 0 EFADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000828804179 601268127 /nfs/dbraw/zinc/26/81/27/601268127.db2.gz IINKGAQDSODLPK-UHFFFAOYSA-N -2 3 337.800 2.791 20 0 EFADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(F)cc2F)c1 ZINC000832888550 601321001 /nfs/dbraw/zinc/32/10/01/601321001.db2.gz XFRVFWGOMIHFOJ-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000137201076 601574522 /nfs/dbraw/zinc/57/45/22/601574522.db2.gz VIRJHFAUNAKDPP-JTQLQIEISA-N -2 3 338.212 2.525 20 0 EFADHL COc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c([O-])c1 ZINC000832169692 601586134 /nfs/dbraw/zinc/58/61/34/601586134.db2.gz CMUTXXUPBPMRRQ-AWEZNQCLSA-N -2 3 335.743 2.610 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(F)c2F)cc(F)c1F ZINC000080308970 601838223 /nfs/dbraw/zinc/83/82/23/601838223.db2.gz WFNBQKDDYFPMPA-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000833295247 601855296 /nfs/dbraw/zinc/85/52/96/601855296.db2.gz SZDGHELRBZPHTP-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL Cc1[nH]c(C(=O)[C@H](C)SCc2nc(C)cc(=O)[n-]2)c(C)c1C(=O)[O-] ZINC000832899556 601958064 /nfs/dbraw/zinc/95/80/64/601958064.db2.gz QDFQBPDVLHPWSI-JTQLQIEISA-N -2 3 349.412 2.638 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000325036917 601982544 /nfs/dbraw/zinc/98/25/44/601982544.db2.gz KXQAUPMLKHISCH-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL COc1cc(F)c([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1F ZINC000832011466 602123677 /nfs/dbraw/zinc/12/36/77/602123677.db2.gz ZNOYEDAZWHLHHA-UHFFFAOYSA-N -2 3 349.336 2.534 20 0 EFADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000828679473 602162239 /nfs/dbraw/zinc/16/22/39/602162239.db2.gz ZZULRSRMEFNROH-OAHLLOKOSA-N -2 3 343.376 2.802 20 0 EFADHL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000826103506 604391406 /nfs/dbraw/zinc/39/14/06/604391406.db2.gz RARYNWPBBNOPJJ-HNNXBMFYSA-N -2 3 329.352 2.680 20 0 EFADHL O=C([O-])CCc1csc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC000833240683 604733555 /nfs/dbraw/zinc/73/35/55/604733555.db2.gz NMGJCOSNBARKDK-UHFFFAOYSA-N -2 3 346.408 2.997 20 0 EFADHL C[C@]1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000833569503 604809028 /nfs/dbraw/zinc/80/90/28/604809028.db2.gz LUADGCOYAJTKHH-YGRLFVJLSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1sc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c(C(=O)[O-])c1C ZINC000833758089 605322055 /nfs/dbraw/zinc/32/20/55/605322055.db2.gz MDWGXFQRWCLZJZ-KPKJPENVSA-N -2 3 342.376 2.786 20 0 EFADHL CC(C)(CC(=O)[O-])CC(=O)NCc1ccc([O-])c(Br)c1 ZINC000833454215 605717488 /nfs/dbraw/zinc/71/74/88/605717488.db2.gz GJZPWNQKUHHTTR-UHFFFAOYSA-N -2 3 344.205 2.662 20 0 EFADHL CN(C)C(=O)c1cccc(Nc2ccc(C(=O)[O-])c(F)c2F)c1[O-] ZINC001212516085 1268363979 /nfs/dbraw/zinc/36/39/79/1268363979.db2.gz YGFGGGIHLQVUAD-UHFFFAOYSA-N -2 3 336.294 2.814 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1 ZINC000793349722 1279596269 /nfs/dbraw/zinc/59/62/69/1279596269.db2.gz TYNFWOAFYAMLDP-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL Cc1ccc2c(/C=C/C(=O)NCCCCP(=O)([O-])[O-])c[nH]c2c1 ZINC001178496486 1288789674 /nfs/dbraw/zinc/78/96/74/1288789674.db2.gz WODMKHCDWOMMGB-FNORWQNLSA-N -2 3 336.328 2.564 20 0 EFADHL O=C([O-])C1(C(=O)Nc2ncc([O-])cc2Br)CCCCC1 ZINC001180434411 1289522138 /nfs/dbraw/zinc/52/21/38/1289522138.db2.gz LPLPZEXTZNDPOE-UHFFFAOYSA-N -2 3 343.177 2.523 20 0 EFADHL CCC1(C(=O)NCCCCP(=O)([O-])[O-])CCC(F)(F)CC1 ZINC001184654018 1290490351 /nfs/dbraw/zinc/49/03/51/1290490351.db2.gz QUQHQYNAZKGWAT-UHFFFAOYSA-N -2 3 327.308 2.666 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc(C3CC3)c2)ccc1F ZINC001186151521 1290884261 /nfs/dbraw/zinc/88/42/61/1290884261.db2.gz ZQZSUYVJAYLPSP-UHFFFAOYSA-N -2 3 336.344 2.597 20 0 EFADHL Cc1ccc([O-])c([N-]S(=O)(=O)CCc2ccc(Cl)cc2)n1 ZINC001189073257 1291573613 /nfs/dbraw/zinc/57/36/13/1291573613.db2.gz MGOANPPPROFCKF-UHFFFAOYSA-N -2 3 326.805 2.733 20 0 EFADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)Cc1ccc(F)c(F)c1 ZINC001189319207 1291672168 /nfs/dbraw/zinc/67/21/68/1291672168.db2.gz ZZIMMEVOXORIFO-UHFFFAOYSA-N -2 3 341.335 2.815 20 0 EFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)c([O-])c2)c1 ZINC001189606001 1291780505 /nfs/dbraw/zinc/78/05/05/1291780505.db2.gz PWSINPIRKGRKKL-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)C(Cl)(Cl)Cl ZINC001192004991 1292734605 /nfs/dbraw/zinc/73/46/05/1292734605.db2.gz NQIZBBFZSQYVCT-UHFFFAOYSA-N -2 3 325.988 2.510 20 0 EFADHL O=C(Nc1ncc([O-])cc1Br)c1c(F)ccc(F)c1[O-] ZINC001192693529 1292992206 /nfs/dbraw/zinc/99/22/06/1292992206.db2.gz KNPSAOQJIKCHRR-UHFFFAOYSA-N -2 3 345.099 2.786 20 0 EFADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccc1OC(F)(F)F ZINC001233939464 1313021727 /nfs/dbraw/zinc/02/17/27/1313021727.db2.gz KBBIISQTJCUYTB-SSDOTTSWSA-N -2 3 340.261 2.685 20 0 EFADHL CC(C)Oc1ccc(COc2[n-]c(=O)nc3cn[n-]c32)cc1Cl ZINC001233945754 1313023101 /nfs/dbraw/zinc/02/31/01/1313023101.db2.gz VYOYLYPDONIFKU-UHFFFAOYSA-N -2 3 334.763 2.666 20 0 EFADHL CCCC(CCC)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195247025 1293860933 /nfs/dbraw/zinc/86/09/33/1293860933.db2.gz LHSPVOZNKUOUNE-UHFFFAOYSA-N -2 3 335.372 2.910 20 0 EFADHL CCS(=O)(=O)[N-]c1cc(Br)c(C(F)(F)F)cc1[O-] ZINC001253373804 1293866316 /nfs/dbraw/zinc/86/63/16/1293866316.db2.gz OPPLCSUAYZPGHL-UHFFFAOYSA-N -2 3 348.140 2.935 20 0 EFADHL CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195264067 1293866860 /nfs/dbraw/zinc/86/68/60/1293866860.db2.gz QCIKNTVEFRYWJQ-ZDUSSCGKSA-N -2 3 347.383 2.910 20 0 EFADHL O=C(Nc1ncc([O-])cc1Br)c1cc([O-])cnc1Cl ZINC001195297392 1293883392 /nfs/dbraw/zinc/88/33/92/1293883392.db2.gz AYPUHJCJPMUVCB-UHFFFAOYSA-N -2 3 344.552 2.556 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)cc(C(=O)[O-])c1F ZINC000133704448 1293983001 /nfs/dbraw/zinc/98/30/01/1293983001.db2.gz QNSYMCOUOHKIJM-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cc1cc(C(=O)NCCCCP(=O)([O-])[O-])cc(C)c1OC(C)C ZINC001197240325 1294483204 /nfs/dbraw/zinc/48/32/04/1294483204.db2.gz ZQBZBRQULVEKJU-UHFFFAOYSA-N -2 3 343.360 2.778 20 0 EFADHL Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC001198738653 1295214493 /nfs/dbraw/zinc/21/44/93/1295214493.db2.gz DDDCYAYRPUZKNE-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc([O-])c(Cl)cc1F ZINC001198778577 1295249194 /nfs/dbraw/zinc/24/91/94/1295249194.db2.gz HMJIQGDJTFFYHU-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)[N-]OCCOc1ccccc1 ZINC000889448271 1295742784 /nfs/dbraw/zinc/74/27/84/1295742784.db2.gz XKDVUCXKHKXDKS-UHFFFAOYSA-N -2 3 345.399 2.529 20 0 EFADHL Cc1nc(Cl)sc1S(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC001201755703 1297053165 /nfs/dbraw/zinc/05/31/65/1297053165.db2.gz AGQNZRFVPQXCIA-UHFFFAOYSA-N -2 3 340.760 2.890 20 0 EFADHL Cc1nc(SCc2cc(=O)oc3cc([O-])ccc23)[n-]c(=O)c1C ZINC000776869136 1301203677 /nfs/dbraw/zinc/20/36/77/1301203677.db2.gz JGNAOGIOCGWSGU-UHFFFAOYSA-N -2 3 330.365 2.903 20 0 EFADHL O=S(=O)([N-]c1ccccn1)c1ccc(-c2cc([O-])cc(F)c2)nc1 ZINC001241261878 1314105851 /nfs/dbraw/zinc/10/58/51/1314105851.db2.gz FVVHTBDCPJZTHZ-UHFFFAOYSA-N -2 3 345.355 2.789 20 0 EFADHL O=C1[N-]S(=O)(=O)c2ccc(-c3ccc([O-])c(C(F)(F)F)c3)cc21 ZINC001242157577 1314185729 /nfs/dbraw/zinc/18/57/29/1314185729.db2.gz JJYDQIWCUXFEJW-UHFFFAOYSA-N -2 3 343.282 2.510 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)c([O-])c(Cl)c1)C(F)(F)F ZINC001260876844 1316375235 /nfs/dbraw/zinc/37/52/35/1316375235.db2.gz GLJLFXZBLQRDSM-SCSAIBSYSA-N -2 3 338.134 2.928 20 0 EFADHL COc1ccc(COCCP(=O)([O-])[O-])cc1OC1CCCC1 ZINC001224605752 1311412869 /nfs/dbraw/zinc/41/28/69/1311412869.db2.gz JXPWZRYNCXNUFH-UHFFFAOYSA-N -2 3 330.317 2.711 20 0 EFADHL O=C(c1ccco1)[C@@H](OCCCCP(=O)([O-])[O-])c1ccco1 ZINC001225022000 1311465647 /nfs/dbraw/zinc/46/56/47/1311465647.db2.gz LIGCRIPALWKDRP-AWEZNQCLSA-N -2 3 328.257 2.771 20 0 EFADHL COc1ccc(OC)c([C@H](C)Oc2nc3ncnc-3c([S-])[n-]2)c1 ZINC001226786726 1311723525 /nfs/dbraw/zinc/72/35/25/1311723525.db2.gz RMJULMGBCRBHPP-QMMMGPOBSA-N -2 3 332.385 2.799 20 0 EFADHL O=c1nc(O[C@@H]2CCN(c3ccccc3)c3ccccc32)[n-]c(=O)[n-]1 ZINC001227568683 1311823259 /nfs/dbraw/zinc/82/32/59/1311823259.db2.gz BGGPOGYJKRZHSY-OAHLLOKOSA-N -2 3 336.351 2.945 20 0 EFADHL C[C@@H]1CCCC[C@@H]1Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227593553 1311825901 /nfs/dbraw/zinc/82/59/01/1311825901.db2.gz DHGFTBFZAQSTCD-RQJHMYQMSA-N -2 3 327.182 2.779 20 0 EFADHL C[C@@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)C1CCCC1 ZINC001227595605 1311826405 /nfs/dbraw/zinc/82/64/05/1311826405.db2.gz BALGLDGRAVFBDM-ZCFIWIBFSA-N -2 3 327.182 2.779 20 0 EFADHL CCOC[C@@H](C)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121552 1311902867 /nfs/dbraw/zinc/90/28/67/1311902867.db2.gz DWOAOPHSQSFPBQ-LLVKDONJSA-N -2 3 332.352 2.838 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1OC1CC2(COC2)C1 ZINC001228123132 1311903304 /nfs/dbraw/zinc/90/33/04/1311903304.db2.gz RXWFKFRVHCQULZ-UHFFFAOYSA-N -2 3 342.347 2.592 20 0 EFADHL Cc1ccc(Cl)cc1NC(=S)NCCCCP(=O)([O-])[O-] ZINC001245181241 1314446431 /nfs/dbraw/zinc/44/64/31/1314446431.db2.gz KSNUSRDQLOTDII-UHFFFAOYSA-N -2 3 336.781 2.893 20 0 EFADHL O=c1cc(-c2cccc(OC(F)(F)F)c2)[n-]n1-c1cc(=O)[n-]cn1 ZINC001245929744 1314550481 /nfs/dbraw/zinc/55/04/81/1314550481.db2.gz PDHAABZLSCKFSI-UHFFFAOYSA-N -2 3 338.245 2.639 20 0 EFADHL CCN(CC)c1ccc(-c2cc(=O)n(-c3cc(=O)[n-]cn3)[n-]2)cc1 ZINC001245944197 1314553307 /nfs/dbraw/zinc/55/33/07/1314553307.db2.gz OUQGRLKHFNGMCG-UHFFFAOYSA-N -2 3 325.372 2.587 20 0 EFADHL [O-]c1cc([O-])c(-c2nc(-c3cccnc3)no2)cc1Br ZINC001215473083 1314840026 /nfs/dbraw/zinc/84/00/26/1314840026.db2.gz AEBXAPKRJBJAGD-UHFFFAOYSA-N -2 3 334.129 2.972 20 0 EFADHL Cc1cc(Cl)ccc1NC(=S)NCCCCP(=O)([O-])[O-] ZINC001248437937 1314934621 /nfs/dbraw/zinc/93/46/21/1314934621.db2.gz BZUUBHBIFVLHCG-UHFFFAOYSA-N -2 3 336.781 2.893 20 0 EFADHL CN(C)c1nc(Nc2cc([O-])c(F)c(F)c2F)c(N=O)c(=O)[n-]1 ZINC001249960424 1315160328 /nfs/dbraw/zinc/16/03/28/1315160328.db2.gz GYDRQUVVPRCYBP-UHFFFAOYSA-N -2 3 329.238 2.513 20 0 EFADHL CN(C)c1nc(Nc2cc(Cl)c([O-])cc2F)c(N=O)c(=O)[n-]1 ZINC001250020431 1315167725 /nfs/dbraw/zinc/16/77/25/1315167725.db2.gz VJIHQKHNQVCCGU-UHFFFAOYSA-N -2 3 327.703 2.888 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1OC1CCC(O)CC1 ZINC001218365012 1315185246 /nfs/dbraw/zinc/18/52/46/1315185246.db2.gz PCVCLINBERICKT-UHFFFAOYSA-N -2 3 344.363 2.717 20 0 EFADHL Cc1cc([O-])c([N-]S(=O)(=O)C(F)(F)F)cc1Br ZINC001252355680 1315438158 /nfs/dbraw/zinc/43/81/58/1315438158.db2.gz WGJZHMSMXSHWHQ-UHFFFAOYSA-N -2 3 334.113 2.725 20 0 EFADHL CC(C)S(=O)(=O)[N-]c1c(Cl)ccc(Br)c1[O-] ZINC001252544230 1315465709 /nfs/dbraw/zinc/46/57/09/1315465709.db2.gz APIMIBRFAHDVNR-UHFFFAOYSA-N -2 3 328.615 2.958 20 0 EFADHL CCS(=O)(=O)[N-]c1c([O-])c(C(C)=O)ccc1OCc1ccccc1 ZINC001253366636 1315596574 /nfs/dbraw/zinc/59/65/74/1315596574.db2.gz AEZLOWWGVRDXJS-UHFFFAOYSA-N -2 3 349.408 2.935 20 0 EFADHL CCCCS(=O)(=O)[N-]c1cc(OC)cc(Br)c1[O-] ZINC001253849511 1315647947 /nfs/dbraw/zinc/64/79/47/1315647947.db2.gz WWAILEPIVPPWCF-UHFFFAOYSA-N -2 3 338.223 2.705 20 0 EFADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001258927477 1316192727 /nfs/dbraw/zinc/19/27/27/1316192727.db2.gz CLJOGIIAPAAION-UHFFFAOYSA-N -2 3 347.371 2.826 20 0 EFADHL O=c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)n(C2CCCC2)[n-]1 ZINC001258942198 1316195054 /nfs/dbraw/zinc/19/50/54/1316195054.db2.gz OKEHDQRIVUFAKC-UHFFFAOYSA-N -2 3 343.355 2.783 20 0 EFADHL O=c1cc([N-]S(=O)(=O)c2c(F)cccc2F)n(C2CCCC2)[n-]1 ZINC001259063609 1316203333 /nfs/dbraw/zinc/20/33/33/1316203333.db2.gz LHEGGHBFFYFXPW-UHFFFAOYSA-N -2 3 343.355 2.783 20 0 EFADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cnc3cccc([O-])c3c2)cc1 ZINC001259172411 1316214558 /nfs/dbraw/zinc/21/45/58/1316214558.db2.gz GARCZZBTLTUMQS-UHFFFAOYSA-N -2 3 342.376 2.944 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c(F)cc1Cl ZINC001259225598 1316221859 /nfs/dbraw/zinc/22/18/59/1316221859.db2.gz YAFNYJKWWJWNFP-MRVPVSSYSA-N -2 3 333.768 2.564 20 0 EFADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CCc1cccc(F)c1 ZINC001259774563 1316276317 /nfs/dbraw/zinc/27/63/17/1316276317.db2.gz CSLDYBTXMZYMCD-UHFFFAOYSA-N -2 3 337.372 2.718 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(Cl)nc2Cl)c1 ZINC001260183454 1316320656 /nfs/dbraw/zinc/32/06/56/1316320656.db2.gz RHGRAHUMSLVRPR-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL CCCc1cccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c1 ZINC001260400616 1316337599 /nfs/dbraw/zinc/33/75/99/1316337599.db2.gz VPPKFRYWMOQMHG-UHFFFAOYSA-N -2 3 335.381 2.844 20 0 EFADHL CCC(CC)([N-]C(=O)C(F)(F)c1ccc(Cl)cc1)c1nn[n-]n1 ZINC001362786535 1336742118 /nfs/dbraw/zinc/74/21/18/1336742118.db2.gz PPRFANLBLMXCCX-UHFFFAOYSA-N -2 3 343.765 2.777 20 0 EFADHL O=C(Nc1ccc(-n2ccc(=O)[n-]2)cc1)c1nc[n-]c1C(F)(F)F ZINC001470668905 1397108892 /nfs/dbraw/zinc/10/88/92/1397108892.db2.gz CLNIVSWJIVBREN-UHFFFAOYSA-N -2 3 337.261 2.572 20 0 EFADHL CC1(C)C[C@@H]1C(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000824812188 1429256422 /nfs/dbraw/zinc/25/64/22/1429256422.db2.gz KTHAQKZVMBGNHM-LLVKDONJSA-N -2 3 340.412 2.975 20 0 EFADHL CC1(C)C[C@@H]1C(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000824812188 1429256430 /nfs/dbraw/zinc/25/64/30/1429256430.db2.gz KTHAQKZVMBGNHM-LLVKDONJSA-N -2 3 340.412 2.975 20 0 EFADHL O=C([N-]c1ncc(-c2nn[n-]n2)s1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823379873 1425649408 /nfs/dbraw/zinc/64/94/08/1425649408.db2.gz MHHJXEHPZWUBJZ-RNFRBKRXSA-N -2 3 346.338 2.630 20 0 EFADHL O=C([N-]c1ncc(-c2nnn[n-]2)s1)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000823379873 1425649413 /nfs/dbraw/zinc/64/94/13/1425649413.db2.gz MHHJXEHPZWUBJZ-RNFRBKRXSA-N -2 3 346.338 2.630 20 0 EFADHL O=C(c1ccccc1[O-])N1CC=C(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000826474528 1426255053 /nfs/dbraw/zinc/25/50/53/1426255053.db2.gz UGNHCVRNZKCEHM-UHFFFAOYSA-N -2 3 347.378 2.502 20 0 EFADHL O=C(c1ccccc1[O-])N1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826474528 1426255058 /nfs/dbraw/zinc/25/50/58/1426255058.db2.gz UGNHCVRNZKCEHM-UHFFFAOYSA-N -2 3 347.378 2.502 20 0 EFADHL O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000823430902 1427300096 /nfs/dbraw/zinc/30/00/96/1427300096.db2.gz LGRPQXGFPCHBKI-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000823430902 1427300102 /nfs/dbraw/zinc/30/01/02/1427300102.db2.gz LGRPQXGFPCHBKI-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL C[C@]1(C(=O)[N-]c2ncc(-c3nnn[n-]3)s2)CCCc2ccccc21 ZINC000820577407 1427970825 /nfs/dbraw/zinc/97/08/25/1427970825.db2.gz PTBOJROAZJXPCN-INIZCTEOSA-N -2 3 340.412 2.556 20 0 EFADHL O=C(CCc1ccccc1Cl)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822983144 1430106381 /nfs/dbraw/zinc/10/63/81/1430106381.db2.gz LEHGKHLWSXPPCK-UHFFFAOYSA-N -2 3 334.792 2.548 20 0 EFADHL O=C(CCc1ccccc1Cl)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822983144 1430106385 /nfs/dbraw/zinc/10/63/85/1430106385.db2.gz LEHGKHLWSXPPCK-UHFFFAOYSA-N -2 3 334.792 2.548 20 0 EFADHL CCCc1cnc([N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000825348576 1441621863 /nfs/dbraw/zinc/62/18/63/1441621863.db2.gz QOMCXSIALZNGTI-HJWRWDBZSA-N -2 3 340.412 2.928 20 0 EFADHL CCCc1cnc([N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000825348576 1441621866 /nfs/dbraw/zinc/62/18/66/1441621866.db2.gz QOMCXSIALZNGTI-HJWRWDBZSA-N -2 3 340.412 2.928 20 0 EFADHL O=C(CCC=Cc1ccccc1)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822955000 1442111395 /nfs/dbraw/zinc/11/13/95/1442111395.db2.gz HXVDDJZLPPYDHD-YWEYNIOJSA-N -2 3 326.385 2.755 20 0 EFADHL O=C(CCC=Cc1ccccc1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822955000 1442111400 /nfs/dbraw/zinc/11/14/00/1442111400.db2.gz HXVDDJZLPPYDHD-YWEYNIOJSA-N -2 3 326.385 2.755 20 0 EFADHL Cc1cc([N-]C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)sn1 ZINC000822208148 1443748300 /nfs/dbraw/zinc/74/83/00/1443748300.db2.gz DAJHJEMSUPFYCR-VIFPVBQESA-N -2 3 329.389 2.514 20 0 EFADHL Cc1cc([N-]C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)sn1 ZINC000822208148 1443748301 /nfs/dbraw/zinc/74/83/01/1443748301.db2.gz DAJHJEMSUPFYCR-VIFPVBQESA-N -2 3 329.389 2.514 20 0 EFADHL Cc1cc(=O)[n-]c(CSc2ccc(-c3nn[n-]n3)cc2Cl)n1 ZINC000826271689 1446481805 /nfs/dbraw/zinc/48/18/05/1446481805.db2.gz CRUBBWQEHZUJOG-UHFFFAOYSA-N -2 3 334.792 2.616 20 0 EFADHL CCCc1csc([N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000825348594 1446497088 /nfs/dbraw/zinc/49/70/88/1446497088.db2.gz RGJOXWLLFZWTSZ-CMDGGOBGSA-N -2 3 340.412 2.928 20 0 EFADHL CCCc1csc([N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000825348594 1446497090 /nfs/dbraw/zinc/49/70/90/1446497090.db2.gz RGJOXWLLFZWTSZ-CMDGGOBGSA-N -2 3 340.412 2.928 20 0 EFADHL CCc1ncsc1[N-]C(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000825755306 1446595014 /nfs/dbraw/zinc/59/50/14/1446595014.db2.gz SPSQTOZJLAEVIV-UHFFFAOYSA-N -2 3 343.416 2.550 20 0 EFADHL CCc1ncsc1[N-]C(=O)N(C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825755306 1446595017 /nfs/dbraw/zinc/59/50/17/1446595017.db2.gz SPSQTOZJLAEVIV-UHFFFAOYSA-N -2 3 343.416 2.550 20 0 EFADHL C[C@H]1C[C@@H]1C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824899590 1447229253 /nfs/dbraw/zinc/22/92/53/1447229253.db2.gz LLYRXBOQFRQVEB-KWQFWETISA-N -2 3 326.385 2.585 20 0 EFADHL C[C@H]1C[C@@H]1C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824899590 1447229259 /nfs/dbraw/zinc/22/92/59/1447229259.db2.gz LLYRXBOQFRQVEB-KWQFWETISA-N -2 3 326.385 2.585 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCCF)c(Cl)cc1Cl ZINC000312569720 720604166 /nfs/dbraw/zinc/60/41/66/720604166.db2.gz ODFMZFUEBHXXAT-UHFFFAOYSA-N -2 3 344.191 2.720 20 0 EFADHL CC(C)=CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000191632263 720765890 /nfs/dbraw/zinc/76/58/90/720765890.db2.gz SOZBBCONONFNAT-UHFFFAOYSA-N -2 3 338.212 2.936 20 0 EFADHL O=C([O-])CC[C@@H]1CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000909487002 723501620 /nfs/dbraw/zinc/50/16/20/723501620.db2.gz YQYCESVOYXWGPA-AWEZNQCLSA-N -2 3 337.391 2.957 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)ccc1F ZINC000320322899 723507137 /nfs/dbraw/zinc/50/71/37/723507137.db2.gz WXEVZTZICQXJLD-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL CC(=O)c1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)[O-])C2)cc1[O-] ZINC000909489314 723509312 /nfs/dbraw/zinc/50/93/12/723509312.db2.gz DSZQNCWIIILDNS-ZDUSSCGKSA-N -2 3 333.384 2.558 20 0 EFADHL CC(C)[C@@](C)(CC(=O)[O-])NC(=O)c1cc([O-])cc(Br)c1 ZINC000909688580 727367133 /nfs/dbraw/zinc/36/71/33/727367133.db2.gz OGENECAIRWCUAU-CQSZACIVSA-N -2 3 344.205 2.774 20 0 EFADHL O=C([O-])CC1(CNC(=O)c2cc([O-])c3ccccc3c2)CCOCC1 ZINC000910121290 727415425 /nfs/dbraw/zinc/41/54/25/727415425.db2.gz CJTOBVKIGBTIGU-UHFFFAOYSA-N -2 3 343.379 2.547 20 0 EFADHL O=C([O-])C12CCC(CC1)N2C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000910296596 727431189 /nfs/dbraw/zinc/43/11/89/727431189.db2.gz WWDDWHDMJWUASS-UHFFFAOYSA-N -2 3 329.274 2.633 20 0 EFADHL CC(C)c1sc(NC(=O)Cc2ccc([O-])c(F)c2)nc1C(=O)[O-] ZINC000910699795 727459221 /nfs/dbraw/zinc/45/92/21/727459221.db2.gz FOXAJDPIBYWGJM-UHFFFAOYSA-N -2 3 338.360 2.991 20 0 EFADHL Cc1cccc([O-])c1C(=O)N1C[C@@H](c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001600543012 970825108 /nfs/dbraw/zinc/82/51/08/970825108.db2.gz ZXELZZZIXUMQQH-LSDHHAIUSA-N -2 3 325.364 2.641 20 0 EFADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(C)ccc1F ZINC000322877566 970939285 /nfs/dbraw/zinc/93/92/85/970939285.db2.gz ISVMZDCVDXJZQA-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C([O-])c1cccc2c1CCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC000322935681 970947057 /nfs/dbraw/zinc/94/70/57/970947057.db2.gz OJLCDSWDKRTAGL-UHFFFAOYSA-N -2 3 331.755 2.942 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)c(CC(=O)[O-])c1 ZINC000324879267 971165409 /nfs/dbraw/zinc/16/54/09/971165409.db2.gz QZHIQAHNAVLMKK-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL O=C([O-])c1ccc2c(c1)CCN2C(=O)c1c[n-]c2ccccc2c1=O ZINC000326788483 971328187 /nfs/dbraw/zinc/32/81/87/971328187.db2.gz WNGFJCKWRNXCHV-UHFFFAOYSA-N -2 3 334.331 2.842 20 0 EFADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000380088448 971675102 /nfs/dbraw/zinc/67/51/02/971675102.db2.gz CPVZPPBCNHGPKQ-SNVBAGLBSA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])C1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CCC1 ZINC001594741299 953363254 /nfs/dbraw/zinc/36/32/54/953363254.db2.gz ROSMLHNYEOCPAK-UHFFFAOYSA-N -2 3 339.391 2.968 20 0 EFADHL O=C([O-])c1ccc(C(=O)Nc2ccc(Br)cc2[O-])cn1 ZINC001594802884 953755181 /nfs/dbraw/zinc/75/51/81/953755181.db2.gz JBSNKHJXOAIVIB-UHFFFAOYSA-N -2 3 337.129 2.500 20 0 EFADHL CC[C@@H](C(=O)[O-])N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001589445554 954756483 /nfs/dbraw/zinc/75/64/83/954756483.db2.gz SPCJKMHOBMDKPJ-PWSUYJOCSA-N -2 3 344.333 2.522 20 0 EFADHL CC[C@@H](C(=O)[O-])N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001589445553 954756815 /nfs/dbraw/zinc/75/68/15/954756815.db2.gz SPCJKMHOBMDKPJ-JQWIXIFHSA-N -2 3 344.333 2.522 20 0 EFADHL C[C@H]1CC[C@@H](C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C1 ZINC000389466850 972227962 /nfs/dbraw/zinc/22/79/62/972227962.db2.gz UATCPIWEWMOBJI-DTWKUNHWSA-N -2 3 349.811 2.892 20 0 EFADHL O=C([O-])CCS(=O)(=O)[N-]c1ccccc1SCC(F)(F)F ZINC000036983638 957257084 /nfs/dbraw/zinc/25/70/84/957257084.db2.gz UAGOZWNFZLSALL-UHFFFAOYSA-N -2 3 343.348 2.557 20 0 EFADHL O=C([O-])CCS(=O)(=O)[N-]c1ccccc1SC1CCCC1 ZINC000037004842 957258391 /nfs/dbraw/zinc/25/83/91/957258391.db2.gz QPWGUPGYTBORPL-UHFFFAOYSA-N -2 3 329.443 2.938 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCCC23CCCC3)o1 ZINC000389993548 972259821 /nfs/dbraw/zinc/25/98/21/972259821.db2.gz NXAFFFUAZODDJU-LBPRGKRZSA-N -2 3 327.402 2.759 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCCC2)cc1F ZINC001594311155 958022667 /nfs/dbraw/zinc/02/26/67/958022667.db2.gz YGLDECZREWWCKS-UHFFFAOYSA-N -2 3 347.383 2.729 20 0 EFADHL CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cc3sccc3c([O-])c2)n1 ZINC001573382613 958671429 /nfs/dbraw/zinc/67/14/29/958671429.db2.gz AVJSVJMWZKEYAD-UHFFFAOYSA-N -2 3 345.380 2.875 20 0 EFADHL CSc1ccc([O-])c(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c1 ZINC001594192894 959172236 /nfs/dbraw/zinc/17/22/36/959172236.db2.gz JJPQINSGWZKDFZ-NSHDSACASA-N -2 3 325.430 2.981 20 0 EFADHL CCC(CC)([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000231807604 960205959 /nfs/dbraw/zinc/20/59/59/960205959.db2.gz CDLRQZJNSHTNAP-UHFFFAOYSA-N -2 3 325.839 2.632 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)ccc1F ZINC001198773276 960584306 /nfs/dbraw/zinc/58/43/06/960584306.db2.gz VPBDENPHJYCYEQ-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL COc1cc(C)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1C ZINC001198789306 960588223 /nfs/dbraw/zinc/58/82/23/960588223.db2.gz ARUUXWWTMCRYDJ-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC[C@H]1C(=O)[O-] ZINC001331755341 961386073 /nfs/dbraw/zinc/38/60/73/961386073.db2.gz NRZPUWQPDYNRQE-WDEREUQCSA-N -2 3 341.367 2.624 20 0 EFADHL CCc1cccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1[O-] ZINC001573960344 961682055 /nfs/dbraw/zinc/68/20/55/961682055.db2.gz DBOLWVHQRUHXEG-JKSUJKDBSA-N -2 3 325.364 2.998 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C(C)C)C2)oc1C(=O)[O-] ZINC001571187669 962227679 /nfs/dbraw/zinc/22/76/79/962227679.db2.gz LEMOYDPQKFUMJB-NWDGAFQWSA-N -2 3 329.418 2.779 20 0 EFADHL O=C([O-])[C@@H]1CN(C(=O)c2cc3sccc3c([O-])c2)C[C@H]1C1CC1 ZINC001571198398 962335125 /nfs/dbraw/zinc/33/51/25/962335125.db2.gz GYGYCHFKHXISIN-QWHCGFSZSA-N -2 3 331.393 2.790 20 0 EFADHL CC(C)[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001571228747 962610116 /nfs/dbraw/zinc/61/01/16/962610116.db2.gz JUBPFUVQONJCCS-WRWORJQWSA-N -2 3 335.784 2.500 20 0 EFADHL O=C([O-])c1cncc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC000700689607 968980493 /nfs/dbraw/zinc/98/04/93/968980493.db2.gz RBISAXRRHQBCLY-UHFFFAOYSA-N -2 3 337.129 2.500 20 0 EFADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000317472311 970362567 /nfs/dbraw/zinc/36/25/67/970362567.db2.gz XUMNOVKBJHMFGG-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000319612589 970554014 /nfs/dbraw/zinc/55/40/14/970554014.db2.gz XNRSJDJKZRZLOT-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL CC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000400472359 973285506 /nfs/dbraw/zinc/28/55/06/973285506.db2.gz UBXDSVYOXDZPCH-GZMMTYOYSA-N -2 3 337.800 2.647 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(O)c2)c([O-])c1 ZINC001591942565 976469993 /nfs/dbraw/zinc/46/99/93/976469993.db2.gz UNQMXVFUTMMYRK-INIZCTEOSA-N -2 3 329.352 2.777 20 0 EFADHL COc1ccc(C(=O)N(CCC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC000692437288 976476294 /nfs/dbraw/zinc/47/62/94/976476294.db2.gz PNFXCWDRLQCVKX-UHFFFAOYSA-N -2 3 329.352 2.518 20 0 EFADHL O=C([O-])c1ccnc(NC(=O)c2cc([O-])cc(Br)c2)c1 ZINC000700689088 976964355 /nfs/dbraw/zinc/96/43/55/976964355.db2.gz LEMFUAYDGRZPAV-UHFFFAOYSA-N -2 3 337.129 2.500 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-])C1CC1 ZINC000828771689 978988264 /nfs/dbraw/zinc/98/82/64/978988264.db2.gz CYHGWJVRYPOMLO-MRXNPFEDSA-N -2 3 349.408 2.705 20 0 EFADHL CCC(CC)(CC(=O)[O-])C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC001595048733 979267782 /nfs/dbraw/zinc/26/77/82/979267782.db2.gz JXFDOKFZZPSSQD-UHFFFAOYSA-N -2 3 348.355 2.767 20 0 EFADHL C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592896040 979793827 /nfs/dbraw/zinc/79/38/27/979793827.db2.gz DILWMJGLDBVKSF-VIFPVBQESA-N -2 3 343.788 2.541 20 0 EFADHL CCC(F)(F)C[N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-] ZINC001595226985 980079462 /nfs/dbraw/zinc/07/94/62/980079462.db2.gz ZXGZNUIIARMNEI-UHFFFAOYSA-N -2 3 349.380 2.923 20 0 EFADHL CC[C@@]([N-]C(=O)C(F)(F)c1nccs1)(C(=O)[O-])c1ccccc1 ZINC001595232918 980128297 /nfs/dbraw/zinc/12/82/97/980128297.db2.gz NEBMNRCVFJUYBO-AWEZNQCLSA-N -2 3 340.351 2.741 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2(C3CCCCC3)CC2)oc1C(=O)[O-] ZINC000903556938 980976605 /nfs/dbraw/zinc/97/66/05/980976605.db2.gz MVYNYEOUIUKIKJ-UHFFFAOYSA-N -2 3 327.402 2.677 20 0 EFADHL CC[C@H](C(=O)[O-])C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC001594766644 981723764 /nfs/dbraw/zinc/72/37/64/981723764.db2.gz YYNQDOIXVSLBGH-IONNQARKSA-N -2 3 338.385 2.729 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])c([O-])c1 ZINC001596724315 984975278 /nfs/dbraw/zinc/97/52/78/984975278.db2.gz CKTJQSPXSGHVCG-UHFFFAOYSA-N -2 3 329.308 2.519 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(C)c(C)c2)cc1[O-] ZINC001589276204 985986923 /nfs/dbraw/zinc/98/69/23/985986923.db2.gz RFVKFBUHVASGLZ-KRWDZBQOSA-N -2 3 341.363 2.767 20 0 EFADHL CCOc1cc(C(=O)[N-]c2nc(C(C)(C)C)c(C(=O)[O-])s2)on1 ZINC001597011321 986356608 /nfs/dbraw/zinc/35/66/08/986356608.db2.gz RMQNCGFUUWSYDI-UHFFFAOYSA-N -2 3 339.373 2.778 20 0 EFADHL C[C@@H](C(=O)[O-])c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC001589521280 987165365 /nfs/dbraw/zinc/16/53/65/987165365.db2.gz MTJWFYDLGWTGMO-SNVBAGLBSA-N -2 3 337.335 2.776 20 0 EFADHL C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001589531594 987205377 /nfs/dbraw/zinc/20/53/77/987205377.db2.gz HVOVVCJJVLFVQO-SECBINFHSA-N -2 3 327.340 2.500 20 0 EFADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001589638548 987560610 /nfs/dbraw/zinc/56/06/10/987560610.db2.gz KMSKOYBFKOORPG-UHFFFAOYSA-N -2 3 341.367 2.674 20 0 EFADHL CC(C)(C(=O)[O-])n1cc(NC(=O)CCCc2ccc([O-])c(F)c2)cn1 ZINC001589663444 987640782 /nfs/dbraw/zinc/64/07/82/987640782.db2.gz BAUPSIJMHGLRHT-UHFFFAOYSA-N -2 3 349.362 2.509 20 0 EFADHL CCc1ccc(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)c([O-])c1 ZINC001597502927 988069988 /nfs/dbraw/zinc/06/99/88/988069988.db2.gz MFPILUBURCRHAS-UHFFFAOYSA-N -2 3 325.324 2.781 20 0 EFADHL CCc1cccc(C(=O)N2CCOc3ccccc3[C@H]2C(=O)[O-])c1[O-] ZINC001597570399 988343839 /nfs/dbraw/zinc/34/38/39/988343839.db2.gz HBUKAYCULXSGLY-INIZCTEOSA-N -2 3 341.363 2.615 20 0 EFADHL CCc1cccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1[O-] ZINC001597570491 988344475 /nfs/dbraw/zinc/34/44/75/988344475.db2.gz LPYGWIRVVWHNLL-INIZCTEOSA-N -2 3 325.364 2.779 20 0 EFADHL CCc1cccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1[O-] ZINC001597570714 988349569 /nfs/dbraw/zinc/34/95/69/988349569.db2.gz ZPTBASHGCHEGSL-SJORKVTESA-N -2 3 339.391 2.895 20 0 EFADHL CCc1cccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)OC)c2)c1[O-] ZINC001597575736 988361586 /nfs/dbraw/zinc/36/15/86/988361586.db2.gz FGDVJNGCEWQZLW-UHFFFAOYSA-N -2 3 343.335 2.692 20 0 EFADHL CSc1ccc([O-])c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1 ZINC001599820389 988502782 /nfs/dbraw/zinc/50/27/82/988502782.db2.gz XGGWHKFGEUVNFI-AWEZNQCLSA-N -2 3 331.393 2.712 20 0 EFADHL CCc1nc(C)c(C(=O)[N-]c2cccnc2SCCC(=O)[O-])o1 ZINC001597658355 988723678 /nfs/dbraw/zinc/72/36/78/988723678.db2.gz WSLXTBDMBFEUCI-UHFFFAOYSA-N -2 3 335.385 2.760 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CCCCC1 ZINC001590765857 990568151 /nfs/dbraw/zinc/56/81/51/990568151.db2.gz BULDHIITCONWIK-UHFFFAOYSA-N -2 3 329.418 2.863 20 0 EFADHL CC(C)(CS(=O)(=O)[N-]c1ccc2nc(C3CC3)oc2c1)C(=O)[O-] ZINC001590812292 990643836 /nfs/dbraw/zinc/64/38/36/990643836.db2.gz LRXPROKVYWVMDR-UHFFFAOYSA-N -2 3 338.385 2.558 20 0 EFADHL CC(C)(NC(=O)c1cc([O-])c2ccccc2c1)c1cc(C(=O)[O-])on1 ZINC001590858836 990749632 /nfs/dbraw/zinc/74/96/32/990749632.db2.gz QKOHMMFAVMMVHZ-UHFFFAOYSA-N -2 3 340.335 2.897 20 0 EFADHL COc1cccc2c(C(=O)OCc3cc(C(=O)[O-])oc3C)n[n-]c21 ZINC001599689434 991043085 /nfs/dbraw/zinc/04/30/85/991043085.db2.gz LLZILAMOULYZHR-UHFFFAOYSA-N -2 3 330.296 2.528 20 0 EFADHL COc1cccc2c(C(=O)OCc3cc(C(=O)[O-])oc3C)[n-]nc21 ZINC001599689434 991043094 /nfs/dbraw/zinc/04/30/94/991043094.db2.gz LLZILAMOULYZHR-UHFFFAOYSA-N -2 3 330.296 2.528 20 0 EFADHL CC(C)CC[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001591227675 992099638 /nfs/dbraw/zinc/09/96/38/992099638.db2.gz JPKWNNUMZBQGML-QWRGUYRKSA-N -2 3 346.474 2.725 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1 ZINC001599598406 993779787 /nfs/dbraw/zinc/77/97/87/993779787.db2.gz MILGXWQXVTXOFT-UONOGXRCSA-N -2 3 327.336 2.841 20 0 EFADHL CC1(C)C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001593870078 996679246 /nfs/dbraw/zinc/67/92/46/996679246.db2.gz IXMXMORIOXLSFC-SSDOTTSWSA-N -2 3 335.784 2.502 20 0 EFADHL COc1ccc([C@H](NCc2cccc([O-])c2Cl)C(=O)[O-])cc1O ZINC001599530728 997646589 /nfs/dbraw/zinc/64/65/89/997646589.db2.gz HSJYJBNBEQMGQP-HNNXBMFYSA-N -2 3 337.759 2.675 20 0 EFADHL COC(=O)c1cc(C(=O)OCc2c(Cl)cccc2C(=O)[O-])c[n-]1 ZINC001598926025 997647899 /nfs/dbraw/zinc/64/78/99/997647899.db2.gz CQKAVYMULDMWQL-UHFFFAOYSA-N -2 3 337.715 2.510 20 0 EFADHL COc1ccc(CCC(=O)[N-]OCc2ccccc2C(=O)[O-])cc1 ZINC001599553067 998043459 /nfs/dbraw/zinc/04/34/59/998043459.db2.gz XIAYLZPOAPAZAC-UHFFFAOYSA-N -2 3 329.352 2.574 20 0 EFADHL COC(=O)c1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)[n-]1 ZINC001598958719 998292842 /nfs/dbraw/zinc/29/28/42/998292842.db2.gz PJXFEIBHAOIIGU-UHFFFAOYSA-N -2 3 346.339 2.539 20 0 EFADHL CC(C)=C[C@H]1[C@H](C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC001573942108 1087911493 /nfs/dbraw/zinc/91/14/93/1087911493.db2.gz LKABNQHETNRMSK-UONOGXRCSA-N -2 3 327.388 2.515 20 0 EFADHL CC(C)=C[C@H]1[C@H](C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC001573942108 1087911507 /nfs/dbraw/zinc/91/15/07/1087911507.db2.gz LKABNQHETNRMSK-UONOGXRCSA-N -2 3 327.388 2.515 20 0 EFADHL Cc1sc(NC(=O)c2cccc(F)c2[O-])c(-c2nnn[n-]2)c1C ZINC001581741546 1091272916 /nfs/dbraw/zinc/27/29/16/1091272916.db2.gz GAHKSFWPIPPHFI-UHFFFAOYSA-N -2 3 333.348 2.642 20 0 EFADHL Cc1sc(NC(=O)c2cccc(F)c2[O-])c(-c2nn[n-]n2)c1C ZINC001581741546 1091272921 /nfs/dbraw/zinc/27/29/21/1091272921.db2.gz GAHKSFWPIPPHFI-UHFFFAOYSA-N -2 3 333.348 2.642 20 0 EFADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1 ZINC001589769251 1093139409 /nfs/dbraw/zinc/13/94/09/1093139409.db2.gz LAGNCFSSOFPXNC-UHFFFAOYSA-N -2 3 343.412 2.791 20 0 EFADHL CCNc1cc(C)ccc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001590745943 1093560341 /nfs/dbraw/zinc/56/03/41/1093560341.db2.gz AKJUITWUOVVLMZ-UHFFFAOYSA-N -2 3 338.371 2.565 20 0 EFADHL CN(Cc1cc(-c2nnn[n-]2)cs1)C(=O)c1cccc(Cl)c1[O-] ZINC001591127701 1093664792 /nfs/dbraw/zinc/66/47/92/1093664792.db2.gz IJTHIVWQKPRVPJ-UHFFFAOYSA-N -2 3 349.803 2.559 20 0 EFADHL CN(Cc1cc(-c2nn[n-]n2)cs1)C(=O)c1cccc(Cl)c1[O-] ZINC001591127701 1093664795 /nfs/dbraw/zinc/66/47/95/1093664795.db2.gz IJTHIVWQKPRVPJ-UHFFFAOYSA-N -2 3 349.803 2.559 20 0 EFADHL COc1ccccc1C=CC=Cc1nc(C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001591647901 1093817082 /nfs/dbraw/zinc/81/70/82/1093817082.db2.gz MLWBFKHTLXVUTL-XATRDHJGSA-N -2 3 349.350 2.695 20 0 EFADHL COc1ccccc1C=CC=Cc1nc(C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001591647901 1093817084 /nfs/dbraw/zinc/81/70/84/1093817084.db2.gz MLWBFKHTLXVUTL-XATRDHJGSA-N -2 3 349.350 2.695 20 0 EFADHL Cc1cc(-c2nn[n-]n2)ccc1COC(=O)c1ccc([O-])c(Cl)c1 ZINC001591869204 1093903543 /nfs/dbraw/zinc/90/35/43/1093903543.db2.gz NAPMLKVGDHQEGR-UHFFFAOYSA-N -2 3 344.758 2.891 20 0 EFADHL Cc1cc(COC(=O)c2ccc([O-])c(Cl)c2)ccc1-c1nn[n-]n1 ZINC001591971596 1093940415 /nfs/dbraw/zinc/94/04/15/1093940415.db2.gz WSJMHUDEKIYKPG-UHFFFAOYSA-N -2 3 344.758 2.891 20 0 EFADHL Cc1cc(Cl)c2ncc(-c3nnn[n-]3)c(NC[C@@H](C)C(=O)[O-])c2c1 ZINC001591974937 1093942310 /nfs/dbraw/zinc/94/23/10/1093942310.db2.gz CWLGXFYHJBAPRR-MRVPVSSYSA-N -2 3 346.778 2.509 20 0 EFADHL Cc1cc(Cl)c2ncc(-c3nn[n-]n3)c(NC[C@@H](C)C(=O)[O-])c2c1 ZINC001591974937 1093942315 /nfs/dbraw/zinc/94/23/15/1093942315.db2.gz CWLGXFYHJBAPRR-MRVPVSSYSA-N -2 3 346.778 2.509 20 0 EFADHL Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1c([O-])cc(F)cc1F ZINC001591986403 1093947734 /nfs/dbraw/zinc/94/77/34/1093947734.db2.gz MWHQPCLKCREBIS-UHFFFAOYSA-N -2 3 349.272 2.550 20 0 EFADHL Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1c([O-])cc(F)cc1F ZINC001591986403 1093947738 /nfs/dbraw/zinc/94/77/38/1093947738.db2.gz MWHQPCLKCREBIS-UHFFFAOYSA-N -2 3 349.272 2.550 20 0 EFADHL Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1cc(F)cc(F)c1[O-] ZINC001591987401 1093949324 /nfs/dbraw/zinc/94/93/24/1093949324.db2.gz VEIXQDKDRMBBJB-UHFFFAOYSA-N -2 3 349.272 2.550 20 0 EFADHL Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc(F)c1[O-] ZINC001591987401 1093949326 /nfs/dbraw/zinc/94/93/26/1093949326.db2.gz VEIXQDKDRMBBJB-UHFFFAOYSA-N -2 3 349.272 2.550 20 0 EFADHL O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593230400 1094247726 /nfs/dbraw/zinc/24/77/26/1094247726.db2.gz IGXOOFYSYQUZHK-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C([O-])c1ccccc1C1CCN(c2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001593283162 1094264803 /nfs/dbraw/zinc/26/48/03/1094264803.db2.gz MXDKRNXVNLUXCI-UHFFFAOYSA-N -2 3 349.394 2.949 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2coc3ccccc23)n1 ZINC001593283954 1094265387 /nfs/dbraw/zinc/26/53/87/1094265387.db2.gz TVKWQJRWWFHCCL-ALCCZGGFSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2coc3ccccc23)n1 ZINC001593283954 1094265390 /nfs/dbraw/zinc/26/53/90/1094265390.db2.gz TVKWQJRWWFHCCL-ALCCZGGFSA-N -2 3 333.307 2.877 20 0 EFADHL Cc1ccc(-c2nc(NC(=O)c3cc(C)cc(C(=O)[O-])c3)n[n-]2)o1 ZINC001600111066 1094778721 /nfs/dbraw/zinc/77/87/21/1094778721.db2.gz UVSULGPPUGONEQ-UHFFFAOYSA-N -2 3 326.312 2.632 20 0 EFADHL Cc1cc([C@@H](C)OC(=O)c2cc(F)cc3[n-]nnc32)oc1C(=O)[O-] ZINC001600140392 1094798633 /nfs/dbraw/zinc/79/86/33/1094798633.db2.gz BGJXIUNQFBVOPD-SSDOTTSWSA-N -2 3 333.275 2.615 20 0 EFADHL Cc1cc([C@@H](C)OC(=O)c2cc(F)cc3nn[n-]c32)oc1C(=O)[O-] ZINC001600140392 1094798646 /nfs/dbraw/zinc/79/86/46/1094798646.db2.gz BGJXIUNQFBVOPD-SSDOTTSWSA-N -2 3 333.275 2.615 20 0 EFADHL Cc1cc([C@@H](C)OC(=O)c2cc(F)cc3n[n-]nc32)oc1C(=O)[O-] ZINC001600140392 1094798659 /nfs/dbraw/zinc/79/86/59/1094798659.db2.gz BGJXIUNQFBVOPD-SSDOTTSWSA-N -2 3 333.275 2.615 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001600156110 1094819465 /nfs/dbraw/zinc/81/94/65/1094819465.db2.gz ULQUOJCVEIIHKR-UHFFFAOYSA-N -2 3 328.303 2.664 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CCC[C@H](C)C2)oc1C(=O)[O-] ZINC001600300546 1094952883 /nfs/dbraw/zinc/95/28/83/1094952883.db2.gz XTUIQPSLZIVTDT-ZMLRMANQSA-N -2 3 329.418 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC(C)(C)C[C@@H]2C)oc1C(=O)[O-] ZINC001600298172 1094953351 /nfs/dbraw/zinc/95/33/51/1094953351.db2.gz AJIVLBZCWZWIPG-WDEREUQCSA-N -2 3 329.418 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCC[C@H](C)C2)oc1C(=O)[O-] ZINC001600300544 1094954025 /nfs/dbraw/zinc/95/40/25/1094954025.db2.gz XTUIQPSLZIVTDT-DLOVCJGASA-N -2 3 329.418 2.779 20 0 EFADHL Cc1ccc(-c2cc(C(=O)O[C@H]3C[C@H]4C[C@@H](C(=O)[O-])C[C@H]43)n[n-]2)o1 ZINC001600312549 1094963410 /nfs/dbraw/zinc/96/34/10/1094963410.db2.gz GDJVSTYVZWEXIQ-CZFOOCMKSA-N -2 3 330.340 2.634 20 0 EFADHL Cc1ccc(-c2cc(C(=O)O[C@H](C(=O)[O-])c3ccccc3)n[n-]2)o1 ZINC001600312554 1094963517 /nfs/dbraw/zinc/96/35/17/1094963517.db2.gz GDXIZNUQGPPXKM-HNNXBMFYSA-N -2 3 326.308 2.961 20 0 EFADHL Cc1ccc(C(=O)Nc2ccc(O[C@@H](C)C(=O)[O-])c(F)c2)c([O-])c1 ZINC001600343730 1094988412 /nfs/dbraw/zinc/98/84/12/1094988412.db2.gz PEHSISKZFKTLNH-JTQLQIEISA-N -2 3 333.315 2.944 20 0 EFADHL Cc1ccc(C(=O)[O-])c2c1N(CCC[N-]C(=O)C(F)(F)F)CCC2 ZINC001600349449 1094990698 /nfs/dbraw/zinc/99/06/98/1094990698.db2.gz CZCLWZNKARNRAO-UHFFFAOYSA-N -2 3 344.333 2.514 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1NC(=O)COC(=O)c1cc2occc2[n-]1 ZINC001600355674 1094997204 /nfs/dbraw/zinc/99/72/04/1094997204.db2.gz BEKMESXJDNNVMB-UHFFFAOYSA-N -2 3 342.307 2.563 20 0 EFADHL Cc1ccc(C2(C[N-]S(=O)(=O)c3cc(C(=O)[O-])co3)CC2)c(C)c1 ZINC001600392927 1095029975 /nfs/dbraw/zinc/02/99/75/1095029975.db2.gz PMTRCYCPRDXDMW-UHFFFAOYSA-N -2 3 349.408 2.605 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)c(F)c1F ZINC001600479704 1095098663 /nfs/dbraw/zinc/09/86/63/1095098663.db2.gz RANFGEBKVMINIS-UHFFFAOYSA-N -2 3 347.383 2.729 20 0 EFADHL Cc1cccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCCO3)c1[O-] ZINC001600513596 1095123590 /nfs/dbraw/zinc/12/35/90/1095123590.db2.gz QGXFBQZYGAVRMJ-UHFFFAOYSA-N -2 3 343.335 2.812 20 0 EFADHL Cc1cccc(C[C@H](CNC(=O)c2c(C)cccc2[O-])C(=O)[O-])c1 ZINC001600527162 1095136549 /nfs/dbraw/zinc/13/65/49/1095136549.db2.gz DSYNYKTZVNIMCG-OAHLLOKOSA-N -2 3 327.380 2.682 20 0 EFADHL Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])co2)C1 ZINC001600588885 1095192191 /nfs/dbraw/zinc/19/21/91/1095192191.db2.gz SVSQMBOJUXUQJM-AULYBMBSSA-N -2 3 335.381 2.511 20 0 EFADHL Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C)c1ncc(C(=O)[O-])s1 ZINC001600590623 1095192588 /nfs/dbraw/zinc/19/25/88/1095192588.db2.gz ARODBRWQLBFIAD-MRVPVSSYSA-N -2 3 341.339 2.514 20 0 EFADHL Cc1oc(CN(C)Cc2cc(=O)oc3cc([O-])ccc23)cc1C(=O)[O-] ZINC001600843068 1095372529 /nfs/dbraw/zinc/37/25/29/1095372529.db2.gz XPZHFVDSMDQABI-UHFFFAOYSA-N -2 3 343.335 2.730 20 0 EFADHL Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1cc(F)cc2n[n-]nc21 ZINC001600876443 1095399984 /nfs/dbraw/zinc/39/99/84/1095399984.db2.gz NWTVJSLBVUJSTD-UHFFFAOYSA-N -2 3 334.332 2.726 20 0 EFADHL Cn1c(C(=O)[O-])ccc1[C@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001600907942 1095420564 /nfs/dbraw/zinc/42/05/64/1095420564.db2.gz CEYGGCTXXDKKIE-CQSZACIVSA-N -2 3 328.368 2.796 20 0 EFADHL O=C([O-])c1cccc(NC(=O)COC(=O)c2cccc(Cl)c2[O-])c1 ZINC001601335256 1095621261 /nfs/dbraw/zinc/62/12/61/1095621261.db2.gz KVFAXPOEVRQOKP-UHFFFAOYSA-N -2 3 349.726 2.539 20 0 EFADHL O=C([O-])c1cnc(CNC(=O)c2cc([O-])c3ccccc3c2)s1 ZINC001601550214 1095731529 /nfs/dbraw/zinc/73/15/29/1095731529.db2.gz JMAJFPJJHWEVLT-UHFFFAOYSA-N -2 3 328.349 2.630 20 0 EFADHL O=C([O-])c1cc(NC(=O)[N-]O[C@@H]2CCCCO2)cc(F)c1Cl ZINC001601563927 1095732344 /nfs/dbraw/zinc/73/23/44/1095732344.db2.gz VJWGUPFIHAOFCU-SNVBAGLBSA-N -2 3 332.715 2.757 20 0 EFADHL O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001601571998 1095736515 /nfs/dbraw/zinc/73/65/15/1095736515.db2.gz YWIMKYOBZDTDBF-ZBFHGGJFSA-N -2 3 325.364 2.576 20 0 EFADHL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1cccnc1 ZINC001601664463 1095794583 /nfs/dbraw/zinc/79/45/83/1095794583.db2.gz LVMNDEXJEAKHEM-LBPRGKRZSA-N -2 3 340.713 2.769 20 0 EFADHL O=C([O-])[C@@H](NCc1cccc([O-])c1Cl)c1ccc2c(c1)CCO2 ZINC001601676614 1095808495 /nfs/dbraw/zinc/80/84/95/1095808495.db2.gz UPASNCXKMXDNEM-INIZCTEOSA-N -2 3 333.771 2.896 20 0 EFADHL O=C([O-])C[C@@H]([N-]C(=O)C(F)(F)c1nccs1)c1ccc(F)cc1 ZINC001601896019 1095963371 /nfs/dbraw/zinc/96/33/71/1095963371.db2.gz GKOIYHSLYPKLQX-SNVBAGLBSA-N -2 3 344.314 2.706 20 0 EFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCC1 ZINC001601922647 1095977732 /nfs/dbraw/zinc/97/77/32/1095977732.db2.gz OZVZKYRRTVGSOT-UHFFFAOYSA-N -2 3 349.811 2.793 20 0 EFADHL O=C([O-])CC1(NC(=O)c2cc(CCc3ccccc3)ccc2[O-])CC1 ZINC001601929492 1095980968 /nfs/dbraw/zinc/98/09/68/1095980968.db2.gz AIUZIZBNTLJXRM-UHFFFAOYSA-N -2 3 339.391 2.915 20 0 EFADHL O=C([O-])CCOc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001602024768 1096024542 /nfs/dbraw/zinc/02/45/42/1096024542.db2.gz FCUIKMZJIYHLOK-UHFFFAOYSA-N -2 3 333.315 2.566 20 0 EFADHL O=C([O-])CCc1nnc([N-]C(=O)c2c(Cl)cncc2Cl)s1 ZINC001602048645 1096038392 /nfs/dbraw/zinc/03/83/92/1096038392.db2.gz WAKLLUGXROZYFD-UHFFFAOYSA-N -2 3 347.183 2.509 20 0 EFADHL O=C([O-])c1cc(-c2csc([N-]c3ncnc4ccncc43)n2)c[nH]1 ZINC001602235890 1096131780 /nfs/dbraw/zinc/13/17/80/1096131780.db2.gz DIIUMMDEWGWSBC-UHFFFAOYSA-N -2 3 338.352 2.918 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(C3CC3)CCC2)c(F)cc1Cl ZINC001602293096 1096162761 /nfs/dbraw/zinc/16/27/61/1096162761.db2.gz MRCBBBYHUFUAHV-UHFFFAOYSA-N -2 3 347.795 2.788 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)CCOCC2CC2)c2ccccc12 ZINC001602384502 1096217425 /nfs/dbraw/zinc/21/74/25/1096217425.db2.gz PCVHJYDOFLZQCZ-UHFFFAOYSA-N -2 3 349.408 2.706 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001602488396 1096270674 /nfs/dbraw/zinc/27/06/74/1096270674.db2.gz GPYDSTQGQFVZEO-QJPTWQEYSA-N -2 3 327.402 2.615 20 0 EFADHL O=C([O-])c1ccccc1OCCOC(=O)c1cc(-c2ccco2)[n-]n1 ZINC001602613716 1096325074 /nfs/dbraw/zinc/32/50/74/1096325074.db2.gz CYVMYEKAPITNHI-UHFFFAOYSA-N -2 3 342.307 2.604 20 0 EFADHL O=C([O-])c1ccccc1OCCOC(=O)c1cc(-c2ccco2)n[n-]1 ZINC001602613716 1096325084 /nfs/dbraw/zinc/32/50/84/1096325084.db2.gz CYVMYEKAPITNHI-UHFFFAOYSA-N -2 3 342.307 2.604 20 0 EFADHL CC(C)(C)CCS(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1O ZINC001603333462 1096508941 /nfs/dbraw/zinc/50/89/41/1096508941.db2.gz OMHWDJATDDFTLW-UHFFFAOYSA-N -2 3 329.418 2.587 20 0 EFADHL CC(C)c1ccc([N-]S(=O)(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC001603398919 1096519878 /nfs/dbraw/zinc/51/98/78/1096519878.db2.gz ISBMXSHRLFSSCD-UHFFFAOYSA-N -2 3 343.412 2.791 20 0 EFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccccc1 ZINC001603721737 1096601474 /nfs/dbraw/zinc/60/14/74/1096601474.db2.gz FHBGGEMUVBWTJG-AWEZNQCLSA-N -2 3 337.397 2.696 20 0 EFADHL CC(C)C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001603836621 1096641527 /nfs/dbraw/zinc/64/15/27/1096641527.db2.gz LXOZRGVUVZGPLJ-PRHODGIISA-N -2 3 349.811 2.890 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@@H]2CCCn3nc(C(=O)[O-])cc32)c([O-])c1 ZINC001603996650 1096690760 /nfs/dbraw/zinc/69/07/60/1096690760.db2.gz KRJFBUOIVAFQMD-CYBMUJFWSA-N -2 3 343.383 2.675 20 0 EFADHL CC1(C)C[C@@]1(C[N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccccc1 ZINC001604520216 1096889982 /nfs/dbraw/zinc/88/99/82/1096889982.db2.gz DVIQVZNYDFGQPM-QGZVFWFLSA-N -2 3 349.408 2.624 20 0 EFADHL C[C@H]1CC[C@](NC(=O)c2ccccc2[O-])(C(=O)[O-])c2ccccc21 ZINC001604708032 1096937242 /nfs/dbraw/zinc/93/72/42/1096937242.db2.gz YFLMFXFBOFOOAZ-HXPMCKFVSA-N -2 3 325.364 2.999 20 0 EFADHL CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001604894535 1096976817 /nfs/dbraw/zinc/97/68/17/1096976817.db2.gz ZBQOPTNUNMSAQK-QMMMGPOBSA-N -2 3 335.372 2.766 20 0 EFADHL CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605229616 1097061135 /nfs/dbraw/zinc/06/11/35/1097061135.db2.gz QWCZMIHDRONLMD-NEPJUHHUSA-N -2 3 329.418 2.863 20 0 EFADHL CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605229618 1097061632 /nfs/dbraw/zinc/06/16/32/1097061632.db2.gz QWCZMIHDRONLMD-RYUDHWBXSA-N -2 3 329.418 2.863 20 0 EFADHL CSc1ccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1 ZINC001605387980 1097113440 /nfs/dbraw/zinc/11/34/40/1097113440.db2.gz YMBZBXQDMINAOS-UHFFFAOYSA-N -2 3 341.396 2.571 20 0 EFADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC001605794690 1097228542 /nfs/dbraw/zinc/22/85/42/1097228542.db2.gz GVZKYTZQLWAZBH-UHFFFAOYSA-N -2 3 343.387 2.539 20 0 EFADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC001605794690 1097228545 /nfs/dbraw/zinc/22/85/45/1097228545.db2.gz GVZKYTZQLWAZBH-UHFFFAOYSA-N -2 3 343.387 2.539 20 0 EFADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1ncc2ccccc2c1[O-] ZINC001605798920 1097230118 /nfs/dbraw/zinc/23/01/18/1097230118.db2.gz GZRGPTATQZWTEC-UHFFFAOYSA-N -2 3 346.350 2.681 20 0 EFADHL CCc1ccc(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC001605805802 1097232604 /nfs/dbraw/zinc/23/26/04/1097232604.db2.gz CJNPINHHQVAZAC-HNNXBMFYSA-N -2 3 327.380 2.770 20 0 EFADHL CCc1ccc(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001605805158 1097232678 /nfs/dbraw/zinc/23/26/78/1097232678.db2.gz RSPBXFHTVYOICX-INIZCTEOSA-N -2 3 325.364 2.779 20 0 EFADHL CCc1ccc(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)c([O-])c1 ZINC001605804573 1097232863 /nfs/dbraw/zinc/23/28/63/1097232863.db2.gz JIAMBAIRSZSQGJ-UHFFFAOYSA-N -2 3 329.352 2.591 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC001605821767 1097238159 /nfs/dbraw/zinc/23/81/59/1097238159.db2.gz UKJZABXSHOJTNQ-INIZCTEOSA-N -2 3 325.364 2.606 20 0 EFADHL CN(CCC(=O)[O-])Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001606104537 1097320412 /nfs/dbraw/zinc/32/04/12/1097320412.db2.gz CGBPJHBYLFBSKP-UHFFFAOYSA-N -2 3 343.379 2.870 20 0 EFADHL Cc1noc(C2CC2)c1[N-]C(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC001606132558 1097325803 /nfs/dbraw/zinc/32/58/03/1097325803.db2.gz XTIRCJAPRRLIPC-UHFFFAOYSA-N -2 3 346.297 2.571 20 0 EFADHL O=C(Nc1cc(F)c([O-])cc1Cl)c1ccc(-c2nnn[n-]2)s1 ZINC001606904601 1097470224 /nfs/dbraw/zinc/47/02/24/1097470224.db2.gz NBHIUMQTBGXFJP-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1ccc(Cl)cc1F)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001606921043 1097474007 /nfs/dbraw/zinc/47/40/07/1097474007.db2.gz RARVQSJCTQEHHN-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C([O-])CCCCNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001606957752 1097481198 /nfs/dbraw/zinc/48/11/98/1097481198.db2.gz JDZBYVHSUVZOMO-UHFFFAOYSA-N -2 3 329.282 2.552 20 0 EFADHL O=C([O-])CCCCNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001606957752 1097481201 /nfs/dbraw/zinc/48/12/01/1097481201.db2.gz JDZBYVHSUVZOMO-UHFFFAOYSA-N -2 3 329.282 2.552 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cc(F)cc(Cl)c2)n1 ZINC001606962288 1097481267 /nfs/dbraw/zinc/48/12/67/1097481267.db2.gz NVUVLTRNDYCWAF-HNQUOIGGSA-N -2 3 345.721 2.923 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cc(F)cc(Cl)c2)n1 ZINC001606962288 1097481268 /nfs/dbraw/zinc/48/12/68/1097481268.db2.gz NVUVLTRNDYCWAF-HNQUOIGGSA-N -2 3 345.721 2.923 20 0 EFADHL O=C([O-])CC[C@@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001606960469 1097481300 /nfs/dbraw/zinc/48/13/00/1097481300.db2.gz ITKOXYWIXGGIMT-JTQLQIEISA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CC[C@@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001606960469 1097481303 /nfs/dbraw/zinc/48/13/03/1097481303.db2.gz ITKOXYWIXGGIMT-JTQLQIEISA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CC[C@H]1CCCN(c2ccc(Cl)cc2-c2nnn[n-]2)C1 ZINC001606960470 1097481559 /nfs/dbraw/zinc/48/15/59/1097481559.db2.gz ITKOXYWIXGGIMT-SNVBAGLBSA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CC[C@H]1CCCN(c2ccc(Cl)cc2-c2nn[n-]n2)C1 ZINC001606960470 1097481564 /nfs/dbraw/zinc/48/15/64/1097481564.db2.gz ITKOXYWIXGGIMT-SNVBAGLBSA-N -2 3 335.795 2.601 20 0 EFADHL Cc1[nH]c(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1C(=O)[O-] ZINC001607495803 1097642121 /nfs/dbraw/zinc/64/21/21/1097642121.db2.gz YWGJUEXISLYQDF-UHFFFAOYSA-N -2 3 342.395 2.822 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCOC2 ZINC001607599473 1097671431 /nfs/dbraw/zinc/67/14/31/1097671431.db2.gz VXIIMQUKUIHLFN-UHFFFAOYSA-N -2 3 347.392 2.567 20 0 EFADHL Cc1cc([C@@H](C)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)oc1C(=O)[O-] ZINC001607608924 1097675184 /nfs/dbraw/zinc/67/51/84/1097675184.db2.gz TZEUJBIDZFTKEG-SECBINFHSA-N -2 3 329.356 2.736 20 0 EFADHL Cc1cc(=O)[n-]c([C@@H](C)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])n1 ZINC001607699479 1097703318 /nfs/dbraw/zinc/70/33/18/1097703318.db2.gz PBXRISJKSAFXFU-RISCZKNCSA-N -2 3 341.367 2.583 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCC2)oc1C(=O)[O-] ZINC001607705846 1097703883 /nfs/dbraw/zinc/70/38/83/1097703883.db2.gz HWKDRSIWICMEGH-UHFFFAOYSA-N -2 3 349.408 2.730 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2CC3CCC2CC3)oc1C(=O)[O-] ZINC001607705807 1097704112 /nfs/dbraw/zinc/70/41/12/1097704112.db2.gz UIAQQPVJVUXECH-XVSSEFHLSA-N -2 3 341.429 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)oc1C(=O)[O-] ZINC001607706481 1097704432 /nfs/dbraw/zinc/70/44/32/1097704432.db2.gz URPAWDZDGBPQRH-IJLUTSLNSA-N -2 3 327.402 2.533 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2c(C)oc3ccccc32)oc1C(=O)[O-] ZINC001607707030 1097705226 /nfs/dbraw/zinc/70/52/26/1097705226.db2.gz SAIKVTPRWBMBGC-UHFFFAOYSA-N -2 3 349.364 2.819 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C2CC2)oc1C(=O)[O-] ZINC001607707939 1097705416 /nfs/dbraw/zinc/70/54/16/1097705416.db2.gz WZZGFAMYUUYLPI-CQSZACIVSA-N -2 3 349.408 2.758 20 0 EFADHL Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)c([O-])c1C ZINC001607726051 1097710464 /nfs/dbraw/zinc/71/04/64/1097710464.db2.gz RDNLIXVVTKAPEZ-UHFFFAOYSA-N -2 3 329.352 2.749 20 0 EFADHL Cc1cccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c1[O-] ZINC001607840133 1097749173 /nfs/dbraw/zinc/74/91/73/1097749173.db2.gz SZRRYMQEAZBNMU-VIFPVBQESA-N -2 3 332.381 2.599 20 0 EFADHL Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2occc2C(=O)[O-])c1 ZINC001607841395 1097750700 /nfs/dbraw/zinc/75/07/00/1097750700.db2.gz KMHQCIJHMSSJFN-UHFFFAOYSA-N -2 3 337.397 2.542 20 0 EFADHL Cn1cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C2CC2)cc1F ZINC001608100960 1097835124 /nfs/dbraw/zinc/83/51/24/1097835124.db2.gz NIYADJKGCAIMQU-UHFFFAOYSA-N -2 3 338.360 2.541 20 0 EFADHL O=C([O-])[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccsc1 ZINC001608543557 1097946199 /nfs/dbraw/zinc/94/61/99/1097946199.db2.gz PDLYREAPZCBVSE-LLVKDONJSA-N -2 3 329.299 2.921 20 0 EFADHL O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(O)cc1[O-] ZINC001608596810 1097964791 /nfs/dbraw/zinc/96/47/91/1097964791.db2.gz FJHICAXTXMIULA-IUODEOHRSA-N -2 3 333.384 2.593 20 0 EFADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc(Cl)ncc2Cl)s1 ZINC001608742237 1098006708 /nfs/dbraw/zinc/00/67/08/1098006708.db2.gz YNZKRYOXEWKAFT-UHFFFAOYSA-N -2 3 347.183 2.509 20 0 EFADHL O=C([O-])Cc1c2ccccc2[nH]c1C(=O)Nc1cccc([O-])c1F ZINC001608775297 1098017550 /nfs/dbraw/zinc/01/75/50/1098017550.db2.gz CNHNVFOGYREXOM-UHFFFAOYSA-N -2 3 328.299 2.892 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@@]23C[C@@H]2CCCC3)c1F ZINC001608827835 1098034915 /nfs/dbraw/zinc/03/49/15/1098034915.db2.gz APXQKMZPEIOGMS-BJOHPYRUSA-N -2 3 345.367 2.522 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2C=CCCC2)c1F ZINC001608846196 1098043539 /nfs/dbraw/zinc/04/35/39/1098043539.db2.gz NSPDGWBKHHPSDV-SECBINFHSA-N -2 3 333.768 2.564 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)c(F)cc1Cl ZINC001608860778 1098048077 /nfs/dbraw/zinc/04/80/77/1098048077.db2.gz ZEWPUDDGGLABMW-RGNHYFCHSA-N -2 3 347.795 2.644 20 0 EFADHL O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)c1c([O-])cccc1O)CCC2 ZINC001608918244 1098071368 /nfs/dbraw/zinc/07/13/68/1098071368.db2.gz DSHRQXGBJCQYMH-ZDUSSCGKSA-N -2 3 341.363 2.646 20 0 EFADHL O=C([O-])c1cccc(C(=O)Nc2ccc(Br)cc2[O-])n1 ZINC001608929490 1098077918 /nfs/dbraw/zinc/07/79/18/1098077918.db2.gz OMBHTNQJXQENIU-UHFFFAOYSA-N -2 3 337.129 2.500 20 0 EFADHL O=C([O-])c1cccc(CN2CCC(c3n[n-]c(=O)o3)CC2)c1Cl ZINC001608930774 1098078744 /nfs/dbraw/zinc/07/87/44/1098078744.db2.gz CEILEJSBDHTYNI-UHFFFAOYSA-N -2 3 337.763 2.506 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCC[C@H](c2ccccc2)C1 ZINC001608956372 1098090038 /nfs/dbraw/zinc/09/00/38/1098090038.db2.gz QQTGHYSYRYIFBT-UONOGXRCSA-N -2 3 349.408 2.983 20 0 EFADHL CC(=Cc1ccc2c(c1)CCC2)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060586 1098126602 /nfs/dbraw/zinc/12/66/02/1098126602.db2.gz RLYYBVUHDZDCNO-CSKARUKUSA-N -2 3 334.383 2.720 20 0 EFADHL CC(=Cc1ccc2c(c1)CCC2)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060586 1098126603 /nfs/dbraw/zinc/12/66/03/1098126603.db2.gz RLYYBVUHDZDCNO-CSKARUKUSA-N -2 3 334.383 2.720 20 0 EFADHL CCC(CC)(CNc1nc2ccccc2cc1-c1nnn[n-]1)C(=O)[O-] ZINC001609188935 1098189234 /nfs/dbraw/zinc/18/92/34/1098189234.db2.gz NJCOBSWIAGFMEF-UHFFFAOYSA-N -2 3 340.387 2.718 20 0 EFADHL CCC(CC)(CNc1nc2ccccc2cc1-c1nn[n-]n1)C(=O)[O-] ZINC001609188935 1098189238 /nfs/dbraw/zinc/18/92/38/1098189238.db2.gz NJCOBSWIAGFMEF-UHFFFAOYSA-N -2 3 340.387 2.718 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccc3ncccc3c2)n1 ZINC001609571725 1098384478 /nfs/dbraw/zinc/38/44/78/1098384478.db2.gz BHQGXTOQRLZWLL-DAXSKMNVSA-N -2 3 344.334 2.679 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccc3ncccc3c2)n1 ZINC001609571725 1098384482 /nfs/dbraw/zinc/38/44/82/1098384482.db2.gz BHQGXTOQRLZWLL-DAXSKMNVSA-N -2 3 344.334 2.679 20 0 EFADHL O=C(c1ccc(-c2nn[n-]n2)c([O-])c1)N1CC2(CCC2)c2ccccc21 ZINC001609581340 1098390368 /nfs/dbraw/zinc/39/03/68/1098390368.db2.gz ZDQMOCSIWSTYAH-UHFFFAOYSA-N -2 3 347.378 2.654 20 0 EFADHL CC(C)(C)c1nc(NC(=O)c2ccc(N)cc2[O-])sc1C(=O)[O-] ZINC001609671511 1098422245 /nfs/dbraw/zinc/42/22/45/1098422245.db2.gz VHVILWWYOAPOLV-UHFFFAOYSA-N -2 3 335.385 2.679 20 0 EFADHL C[C@H](CCC1CCCCC1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609738680 1098442896 /nfs/dbraw/zinc/44/28/96/1098442896.db2.gz OFPLHAXYAJBICA-SNVBAGLBSA-N -2 3 346.474 2.869 20 0 EFADHL CC1(C(=O)[O-])CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001609811780 1098465827 /nfs/dbraw/zinc/46/58/27/1098465827.db2.gz DYPXKKLKTJSUMM-UHFFFAOYSA-N -2 3 325.364 2.530 20 0 EFADHL CCc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])c1[O-] ZINC001610064711 1098536275 /nfs/dbraw/zinc/53/62/75/1098536275.db2.gz BGSYGGJXZXNGCG-UHFFFAOYSA-N -2 3 345.351 2.922 20 0 EFADHL COC(=O)c1cnc(S[C@H](C(=O)[O-])c2ccccc2Cl)[n-]1 ZINC001610197084 1098567678 /nfs/dbraw/zinc/56/76/78/1098567678.db2.gz XWEBOPAKYRQQTI-JTQLQIEISA-N -2 3 326.761 2.768 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)ccc1C(=O)[O-] ZINC001211655337 1098707696 /nfs/dbraw/zinc/70/76/96/1098707696.db2.gz VWVUPNHWOSJCPR-UHFFFAOYSA-N -2 3 340.788 2.730 20 0 EFADHL Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cnc(C)c(C(=O)[O-])c1 ZINC001610523051 1098730855 /nfs/dbraw/zinc/73/08/55/1098730855.db2.gz OVKBOZOJWJXWOA-UHFFFAOYSA-N -2 3 340.788 2.851 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2cccnc2Cl)c1C(=O)[O-] ZINC001610526748 1098731416 /nfs/dbraw/zinc/73/14/16/1098731416.db2.gz VHQAZCZXAXLTRZ-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c(=O)[n-]1 ZINC001610553709 1098748993 /nfs/dbraw/zinc/74/89/93/1098748993.db2.gz WXHQLRFYELNMSW-SNVBAGLBSA-N -2 3 343.383 2.558 20 0 EFADHL Cc1ncc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1C(=O)[O-] ZINC001610564019 1098756595 /nfs/dbraw/zinc/75/65/95/1098756595.db2.gz WIDZAHTZRIGYOE-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL O=C([O-])CC1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1 ZINC001610763092 1098872024 /nfs/dbraw/zinc/87/20/24/1098872024.db2.gz LGWPQILSFLMNAV-UHFFFAOYSA-N -2 3 341.367 2.768 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)CCC2CC2)c(OC(F)F)c1 ZINC001610835843 1098925657 /nfs/dbraw/zinc/92/56/57/1098925657.db2.gz HUOXQUQEGWGAQT-UHFFFAOYSA-N -2 3 335.328 2.528 20 0 EFADHL O=C([O-])c1cccc(C(=O)Nc2cc(Br)ccc2[O-])n1 ZINC001610845148 1098930345 /nfs/dbraw/zinc/93/03/45/1098930345.db2.gz HTWDUAZQZILXFK-UHFFFAOYSA-N -2 3 337.129 2.500 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2(c3ccccc3Cl)CC2)c1 ZINC001610867397 1098945784 /nfs/dbraw/zinc/94/57/84/1098945784.db2.gz KYWLOBYBAXNOKR-UHFFFAOYSA-N -2 3 341.772 2.599 20 0 EFADHL O=C([O-])c1ccc(Cl)c(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC001610887175 1098959293 /nfs/dbraw/zinc/95/92/93/1098959293.db2.gz REXNKJGMSGIFPY-XYOKQWHBSA-N -2 3 342.738 2.761 20 0 EFADHL O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc(Cl)cc1[O-] ZINC001638875997 1100894019 /nfs/dbraw/zinc/89/40/19/1100894019.db2.gz QRKASGDINSZZIL-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc2c(cc1[O-])OCO2 ZINC000436909016 1103719508 /nfs/dbraw/zinc/71/95/08/1103719508.db2.gz NXYPRSTZVORUPM-UHFFFAOYSA-N -2 3 325.679 2.871 20 0 EFADHL CC(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000184853333 1119551425 /nfs/dbraw/zinc/55/14/25/1119551425.db2.gz HBFYTVBFXCEBFU-UHFFFAOYSA-N -2 3 326.201 2.626 20 0 EFADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000050196065 214049068 /nfs/dbraw/zinc/04/90/68/214049068.db2.gz PZDMTISYBCRYPL-UHFFFAOYSA-N -2 3 340.228 2.915 20 0 EFADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000050196069 214050074 /nfs/dbraw/zinc/05/00/74/214050074.db2.gz QOFOAHNBZCLVOB-UHFFFAOYSA-N -2 3 340.228 2.915 20 0 EFADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(F)cc3)c1)CCC2 ZINC000055547186 214328673 /nfs/dbraw/zinc/32/86/73/214328673.db2.gz AXQCAIRHCYPVPN-UHFFFAOYSA-N -2 3 335.356 2.813 20 0 EFADHL O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccccc3F)c1)CCC2 ZINC000055548904 214329577 /nfs/dbraw/zinc/32/95/77/214329577.db2.gz ZYZFXVNXICSMHX-UHFFFAOYSA-N -2 3 335.356 2.813 20 0 EFADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2cccc(Cl)c2)n[n-]1 ZINC000342441379 535121973 /nfs/dbraw/zinc/12/19/73/535121973.db2.gz FBNBDXPMURSOLY-UHFFFAOYSA-N -2 3 346.865 2.901 20 0 EFADHL O=C(Nc1nnc(-c2ccco2)[n-]1)c1ccc(Br)cc1[O-] ZINC000436568784 304013539 /nfs/dbraw/zinc/01/35/39/304013539.db2.gz WMGGSNNWIZXWJF-UHFFFAOYSA-N -2 3 349.144 2.785 20 0 EFADHL O=C(Nc1nc(-c2ccco2)n[n-]1)c1ccc(Br)cc1[O-] ZINC000436568784 304013542 /nfs/dbraw/zinc/01/35/42/304013542.db2.gz WMGGSNNWIZXWJF-UHFFFAOYSA-N -2 3 349.144 2.785 20 0 EFADHL O=C(Nc1n[n-]c(-c2ccco2)n1)c1ccc(Br)cc1[O-] ZINC000436568784 304013546 /nfs/dbraw/zinc/01/35/46/304013546.db2.gz WMGGSNNWIZXWJF-UHFFFAOYSA-N -2 3 349.144 2.785 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1 ZINC000036437613 213098036 /nfs/dbraw/zinc/09/80/36/213098036.db2.gz SNXCNZRRNSKJEF-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CCCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000035085533 213006025 /nfs/dbraw/zinc/00/60/25/213006025.db2.gz HOCDWYGWJKXBIW-VIFPVBQESA-N -2 3 340.228 2.915 20 0 EFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000037405999 213144925 /nfs/dbraw/zinc/14/49/25/213144925.db2.gz SUOABCKNFVDCAC-SECBINFHSA-N -2 3 340.228 2.771 20 0 EFADHL C[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000131766608 223270385 /nfs/dbraw/zinc/27/03/85/223270385.db2.gz LWPZWMQDYORRGQ-RQJHMYQMSA-N -2 3 338.212 2.626 20 0 EFADHL COc1ccc(-n2cc([O-])c(C(=O)Nc3ccccc3[O-])n2)cc1 ZINC000176987580 239350868 /nfs/dbraw/zinc/35/08/68/239350868.db2.gz XZPOPLHNIPKFDW-UHFFFAOYSA-N -2 3 325.324 2.544 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)COC3)cc1C(=O)[O-] ZINC000326444083 241205575 /nfs/dbraw/zinc/20/55/75/241205575.db2.gz XCYHJCVEHLVSBA-UHFFFAOYSA-N -2 3 347.392 2.833 20 0 EFADHL C[C@H](CCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000229517220 242173112 /nfs/dbraw/zinc/17/31/12/242173112.db2.gz XPAONCFWEGCRQO-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-])sc1Cl ZINC000231806886 242271054 /nfs/dbraw/zinc/27/10/54/242271054.db2.gz OTBLDMQFHFOUEI-UHFFFAOYSA-N -2 3 325.839 2.632 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000079097358 217191757 /nfs/dbraw/zinc/19/17/57/217191757.db2.gz QNWNCTVBSFXFFZ-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c(C)c1 ZINC000427327949 247338136 /nfs/dbraw/zinc/33/81/36/247338136.db2.gz GBLJWJZMKAZORL-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000445246809 250398555 /nfs/dbraw/zinc/39/85/55/250398555.db2.gz FGSFCDAEZVQCJX-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(F)c([O-])c(Cl)c1 ZINC000445246809 250398559 /nfs/dbraw/zinc/39/85/59/250398559.db2.gz FGSFCDAEZVQCJX-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL COc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000346011142 142132836 /nfs/dbraw/zinc/13/28/36/142132836.db2.gz GWQSMCPYEXFVFQ-MEDUHNTESA-N -2 3 329.352 2.593 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)ccc1C(=O)[O-] ZINC000349975434 142386091 /nfs/dbraw/zinc/38/60/91/142386091.db2.gz RYSHGNPQRUKKGB-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL CCc1cc(=O)[n-]c(-c2cccc([N-]S(=O)(=O)c3ccoc3)c2)n1 ZINC000349987923 142387797 /nfs/dbraw/zinc/38/77/97/142387797.db2.gz BQPMDSLPKOBNNB-UHFFFAOYSA-N -2 3 345.380 2.805 20 0 EFADHL C[C@@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)cc1 ZINC000342434748 145125785 /nfs/dbraw/zinc/12/57/85/145125785.db2.gz JEFVSHHOGAKGFM-WFASDCNBSA-N -2 3 341.429 2.576 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(C)C)cc2)c1 ZINC000342776197 145189553 /nfs/dbraw/zinc/18/95/53/145189553.db2.gz IMRCJOWSAFGNOL-UHFFFAOYSA-N -2 3 337.397 2.989 20 0 EFADHL CC[C@@H](C)n1nc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1C ZINC000342776619 145189638 /nfs/dbraw/zinc/18/96/38/145189638.db2.gz HSKNCFXTNFQWHA-SNVBAGLBSA-N -2 3 339.417 2.678 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3ncco3)cc2)c1 ZINC000342775433 145189856 /nfs/dbraw/zinc/18/98/56/145189856.db2.gz FEZCMCZEOLHQAG-UHFFFAOYSA-N -2 3 346.364 2.857 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000342779660 145190534 /nfs/dbraw/zinc/19/05/34/145190534.db2.gz NJAGCKNXHRNIFQ-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL Cc1nc(C=Cc2cnc(C(F)(F)F)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349103863 146053088 /nfs/dbraw/zinc/05/30/88/146053088.db2.gz DJPWMRBUQLKMSN-IHWYPQMZSA-N -2 3 345.302 2.763 20 0 EFADHL Cc1nc(C=Cc2coc(-c3ccccc3)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000349107449 146053718 /nfs/dbraw/zinc/05/37/18/146053718.db2.gz JXBMYOJSIZPFDH-BQYQJAHWSA-N -2 3 337.335 2.943 20 0 EFADHL Cc1nc(C=CC=Cc2ccc(F)cc2F)[n-]c(=O)c1CC(=O)[O-] ZINC000349106299 146053981 /nfs/dbraw/zinc/05/39/81/146053981.db2.gz HUXWCOSTLOJLAC-ZUVMSYQZSA-N -2 3 332.306 2.710 20 0 EFADHL Cc1nc(C=Cc2cc(Cl)cc3c2OCC3)[n-]c(=O)c1CC(=O)[O-] ZINC000349105743 146053986 /nfs/dbraw/zinc/05/39/86/146053986.db2.gz HFQCDRHJLUMDKS-NSCUHMNNSA-N -2 3 346.770 2.876 20 0 EFADHL CCCn1nc(C)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c1C ZINC000349108600 146054023 /nfs/dbraw/zinc/05/40/23/146054023.db2.gz LTHZHHSNGNGPAP-VOTSOKGWSA-N -2 3 330.388 2.511 20 0 EFADHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(OCCC(=O)[O-])cc1 ZINC000349107120 146054045 /nfs/dbraw/zinc/05/40/45/146054045.db2.gz JWMMUDHTWYECLM-UHFFFAOYSA-N -2 3 335.381 2.649 20 0 EFADHL COc1c(C)cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1C ZINC000349112592 146054678 /nfs/dbraw/zinc/05/46/78/146054678.db2.gz OSNZVFGULVXGNY-AATRIKPKSA-N -2 3 328.368 2.914 20 0 EFADHL CCn1nc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c2ccccc21 ZINC000349113317 146054681 /nfs/dbraw/zinc/05/46/81/146054681.db2.gz RCMUOUHIDLTLDR-CMDGGOBGSA-N -2 3 338.367 2.658 20 0 EFADHL Cc1nc(C=Cc2cccc(OC(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349115346 146055262 /nfs/dbraw/zinc/05/52/62/146055262.db2.gz XLSJWCWDLDPHLF-AATRIKPKSA-N -2 3 336.294 2.890 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])cc1 ZINC000356475373 147254758 /nfs/dbraw/zinc/25/47/58/147254758.db2.gz IFIWPWIAKNYFHG-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL C=Cc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000359980532 148240930 /nfs/dbraw/zinc/24/09/30/148240930.db2.gz CYKCPPWBVMPEFY-UHFFFAOYSA-N -2 3 337.422 2.610 20 0 EFADHL Cc1cc(Cl)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360501134 148377798 /nfs/dbraw/zinc/37/77/98/148377798.db2.gz RLLNWAVLDUTVSN-UHFFFAOYSA-N -3 3 341.772 2.853 20 0 EFADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000369304114 150324895 /nfs/dbraw/zinc/32/48/95/150324895.db2.gz XUFMIBDNJPXLHB-CYBMUJFWSA-N -2 3 341.411 2.852 20 0 EFADHL Cc1cccc(C[C@H](CNC(=O)c2ccc(C)cc2[O-])C(=O)[O-])c1 ZINC000237591266 273071783 /nfs/dbraw/zinc/07/17/83/273071783.db2.gz OLNAMYKISQQZQI-OAHLLOKOSA-N -2 3 327.380 2.682 20 0 EFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000087492278 292828415 /nfs/dbraw/zinc/82/84/15/292828415.db2.gz DYVFWCQPKWRJLE-LLVKDONJSA-N -2 3 340.228 2.629 20 0 EFADHL O=C(NCc1ccc([O-])c(Br)c1)c1ccc(F)cc1[O-] ZINC000124174029 292993562 /nfs/dbraw/zinc/99/35/62/292993562.db2.gz LZCVEGWOYPSVTP-UHFFFAOYSA-N -2 3 340.148 2.929 20 0 EFADHL CC[C@@H](C)CO[N-]C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000293746565 295040741 /nfs/dbraw/zinc/04/07/41/295040741.db2.gz OSCIZGOKIVCTGT-GFCCVEGCSA-N -2 3 344.415 2.579 20 0 EFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000166667211 310733843 /nfs/dbraw/zinc/73/38/43/310733843.db2.gz ONINNQROBVBVMR-UHFFFAOYSA-N -2 3 338.212 2.527 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])CC(C)(C)C)c1F ZINC000313221686 311231385 /nfs/dbraw/zinc/23/13/85/311231385.db2.gz QARODSSNOCDDNH-LLVKDONJSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c1F ZINC000313220997 311231578 /nfs/dbraw/zinc/23/15/78/311231578.db2.gz OOMCLBOHXAIJNY-LBPRGKRZSA-N -2 3 331.409 2.549 20 0 EFADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000316302357 311235085 /nfs/dbraw/zinc/23/50/85/311235085.db2.gz MGBGDSLIMMESAZ-ZJUUUORDSA-N -2 3 335.372 2.523 20 0 EFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(F)c(F)c2)CCCCC1 ZINC000320247258 311237419 /nfs/dbraw/zinc/23/74/19/311237419.db2.gz BSOAKGPMNXTMHK-UHFFFAOYSA-N -2 3 347.383 2.668 20 0 EFADHL CCCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1 ZINC000320704525 311237969 /nfs/dbraw/zinc/23/79/69/311237969.db2.gz SJWMSRCHUFEEDE-UHFFFAOYSA-N -2 3 335.381 2.974 20 0 EFADHL COc1ccc([O-])c([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)c1 ZINC000451027985 312800694 /nfs/dbraw/zinc/80/06/94/312800694.db2.gz NTIXEKYDIKZYCM-INIZCTEOSA-N -2 3 337.397 2.530 20 0 EFADHL COc1cccc(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000453028826 312848325 /nfs/dbraw/zinc/84/83/25/312848325.db2.gz RASJJESLWKJBQX-CLFYSBASSA-N -2 3 328.368 2.995 20 0 EFADHL CN(CCCC(=O)[O-])C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000455760407 312974017 /nfs/dbraw/zinc/97/40/17/312974017.db2.gz WMKNPGKBOFJBCX-UHFFFAOYSA-N -2 3 343.379 2.908 20 0 EFADHL COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000495538367 314748185 /nfs/dbraw/zinc/74/81/85/314748185.db2.gz CNSVCRXQTCDIAH-UHFFFAOYSA-N -2 3 340.332 2.510 20 0 EFADHL Cc1ccc(NC(=O)OC(C)(C)C)cc1C(=O)N=c1ccc([O-])n[n-]1 ZINC000497074497 315300430 /nfs/dbraw/zinc/30/04/30/315300430.db2.gz UCYNWAUPLCKUIK-UHFFFAOYSA-N -2 3 344.371 2.512 20 0 EFADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000531434521 317267148 /nfs/dbraw/zinc/26/71/48/317267148.db2.gz BGRDEPLAYDKTFN-UHFFFAOYSA-N -2 3 347.392 2.683 20 0 EFADHL CC(C)c1nc(=NC2CCN(C(=O)c3ccccc3[O-])CC2)s[n-]1 ZINC000538870024 317708818 /nfs/dbraw/zinc/70/88/18/317708818.db2.gz HPZGAAPQDNPKDH-UHFFFAOYSA-N -2 3 346.456 2.506 20 0 EFADHL Cc1oc(C[N-]S(=O)(=O)c2cc(F)cc(Cl)c2)cc1C(=O)[O-] ZINC000541003260 317765218 /nfs/dbraw/zinc/76/52/18/317765218.db2.gz GNNBYNSOZISEHX-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@]1(CC(=O)[O-])CC[C@@H](C)C1 ZINC000547561499 318019072 /nfs/dbraw/zinc/01/90/72/318019072.db2.gz SLKCFNDUQZFIBP-BZNIZROVSA-N -2 3 343.420 2.694 20 0 EFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000547578610 318019959 /nfs/dbraw/zinc/01/99/59/318019959.db2.gz VYZSAEFUDKSDKD-MRVPVSSYSA-N -2 3 325.839 2.713 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)OCO2 ZINC000547879151 318050970 /nfs/dbraw/zinc/05/09/70/318050970.db2.gz GRAVQSZUDXRMML-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])cc1F ZINC000547887839 318051318 /nfs/dbraw/zinc/05/13/18/318051318.db2.gz AXYXWNOUAZRKIS-HIFRSBDPSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-] ZINC000547896663 318051694 /nfs/dbraw/zinc/05/16/94/318051694.db2.gz LHEQCRJEXSFQAH-SECBINFHSA-N -2 3 343.376 2.802 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000547934694 318053482 /nfs/dbraw/zinc/05/34/82/318053482.db2.gz VBTYJHFUBCOVFU-NEPJUHHUSA-N -2 3 331.409 2.692 20 0 EFADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000547939958 318054272 /nfs/dbraw/zinc/05/42/72/318054272.db2.gz QHNUYGSAJJICKC-BXKDBHETSA-N -2 3 335.372 2.523 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)(C)C)c(Cl)cc1F ZINC000548200640 318084330 /nfs/dbraw/zinc/08/43/30/318084330.db2.gz UCEDEZDFMQISEB-NSHDSACASA-N -2 3 337.800 2.565 20 0 EFADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc2ncccc2c1 ZINC000548235964 318085818 /nfs/dbraw/zinc/08/58/18/318085818.db2.gz QPFLCEJUXSGMRD-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000548261692 318087036 /nfs/dbraw/zinc/08/70/36/318087036.db2.gz KABHSYDVRZQNOM-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cc1ccc(CS(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1F ZINC000548521812 318117258 /nfs/dbraw/zinc/11/72/58/318117258.db2.gz VNEQNDJYAJHXDF-UHFFFAOYSA-N -2 3 341.335 2.913 20 0 EFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000548554138 318119008 /nfs/dbraw/zinc/11/90/08/318119008.db2.gz FRJIKAJQDFKWBO-JSGCOSHPSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000548554106 318119142 /nfs/dbraw/zinc/11/91/42/318119142.db2.gz LWDVTJBYNZUVKK-SECBINFHSA-N -2 3 337.800 2.791 20 0 EFADHL C[C@H]1CC[C@](C[N-]S(=O)(=O)c2ccc(F)c(F)c2)(CC(=O)[O-])C1 ZINC000548557361 318119395 /nfs/dbraw/zinc/11/93/95/318119395.db2.gz YAUMHPZVVJWEOS-ZUZCIYMTSA-N -2 3 347.383 2.524 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-]CC1(CC(=O)[O-])CCCCC1 ZINC000548565718 318119797 /nfs/dbraw/zinc/11/97/97/318119797.db2.gz PJMNFDGSPNATPQ-UHFFFAOYSA-N -2 3 343.420 2.838 20 0 EFADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000548591097 318121342 /nfs/dbraw/zinc/12/13/42/318121342.db2.gz CJNBPOXUINAVHA-WCQYABFASA-N -2 3 329.393 2.528 20 0 EFADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000548593784 318121762 /nfs/dbraw/zinc/12/17/62/318121762.db2.gz UIHYACOEBSRRJC-RKDXNWHRSA-N -2 3 339.866 2.959 20 0 EFADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000548596209 318121813 /nfs/dbraw/zinc/12/18/13/318121813.db2.gz GXFBXTDNVPHANR-AAEUAGOBSA-N -2 3 347.383 2.667 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)C2CC2)c(Cl)cc1F ZINC000548981876 318159874 /nfs/dbraw/zinc/15/98/74/318159874.db2.gz QAISGAOKRVNIPW-AMIZOPFISA-N -2 3 349.811 2.565 20 0 EFADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cccc([O-])c2F)no1 ZINC000552032054 318238933 /nfs/dbraw/zinc/23/89/33/318238933.db2.gz SSWHEVFGYVBOKD-UHFFFAOYSA-N -2 3 328.365 2.759 20 0 EFADHL Cc1nc(C)c(S(=O)(=O)[N-][C@@](C)(CCC(C)(C)C)C(=O)[O-])s1 ZINC000556415924 318389778 /nfs/dbraw/zinc/38/97/78/318389778.db2.gz UTVZBXYCAFCQLA-AWEZNQCLSA-N -2 3 348.490 2.708 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000560888770 318580312 /nfs/dbraw/zinc/58/03/12/318580312.db2.gz BVCRYPVOVOLAJG-STQMWFEESA-N -2 3 337.422 2.648 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000563073374 318737119 /nfs/dbraw/zinc/73/71/19/318737119.db2.gz VVUNKSKWGMEPBQ-LLVKDONJSA-N -2 3 341.410 2.704 20 0 EFADHL O=C(NCCN=c1nc(C2CCCCC2)[n-]s1)c1ccc([O-])cc1 ZINC000563803330 318817516 /nfs/dbraw/zinc/81/75/16/318817516.db2.gz YONKVNCSUVIFRC-UHFFFAOYSA-N -2 3 346.456 2.555 20 0 EFADHL O=C([N-]c1n[nH]c(Cc2cccc(F)c2)n1)c1c(F)ccc([O-])c1F ZINC000565977577 319019814 /nfs/dbraw/zinc/01/98/14/319019814.db2.gz KAOZNJPZJYRUSS-UHFFFAOYSA-N -2 3 348.284 2.771 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC1CCC(C)CC1 ZINC000566179510 319044553 /nfs/dbraw/zinc/04/45/53/319044553.db2.gz PGWCSOYRSMDWQX-UHFFFAOYSA-N -2 3 347.458 2.560 20 0 EFADHL Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c([O-])c1 ZINC000566288953 319057953 /nfs/dbraw/zinc/05/79/53/319057953.db2.gz NEGMVVWPFQHBCX-UHFFFAOYSA-N -2 3 326.352 2.601 20 0 EFADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@@H](C)CC(=O)[O-])c2)n1 ZINC000566926022 319123072 /nfs/dbraw/zinc/12/30/72/319123072.db2.gz GGDXBFBNVZJQQB-LLVKDONJSA-N -2 3 343.383 2.851 20 0 EFADHL Cc1cccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1[O-] ZINC000567879456 319221393 /nfs/dbraw/zinc/22/13/93/319221393.db2.gz UAIWEVCXZJGKQA-CVEARBPZSA-N -2 3 325.364 2.641 20 0 EFADHL CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000572599123 319686327 /nfs/dbraw/zinc/68/63/27/319686327.db2.gz OTAKZECVLZJWSQ-ZDUSSCGKSA-N -2 3 337.397 2.586 20 0 EFADHL Cc1ccccc1CC(C)(C)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000573114824 319735812 /nfs/dbraw/zinc/73/58/12/319735812.db2.gz QZSSWXXSAIJDEO-UHFFFAOYSA-N -2 3 337.397 2.586 20 0 EFADHL CC(C)(C)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)C[C@@H]2CCCO2)c1 ZINC000573578797 319780200 /nfs/dbraw/zinc/78/02/00/319780200.db2.gz WJJRUHNMRONWFZ-LBPRGKRZSA-N -2 3 341.429 2.603 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]CC2(c3ccccc3C)CC2)cc1C(=O)[O-] ZINC000573917399 319811861 /nfs/dbraw/zinc/81/18/61/319811861.db2.gz SUHKFJXDIIEYPI-UHFFFAOYSA-N -2 3 349.408 2.605 20 0 EFADHL C[C@H]1OCC[C@H]1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1C(=O)[O-] ZINC000577388904 320106472 /nfs/dbraw/zinc/10/64/72/320106472.db2.gz RULMIWGPLLLPEZ-QMTHXVAHSA-N -2 3 341.429 2.601 20 0 EFADHL COC(=O)c1ccc(F)c([N-]C(=O)c2cc(F)c(F)c([O-])c2F)c1 ZINC000184933090 323378234 /nfs/dbraw/zinc/37/82/34/323378234.db2.gz QOCRBCZHWZXYHK-UHFFFAOYSA-N -2 3 343.232 2.988 20 0 EFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000387581503 323766165 /nfs/dbraw/zinc/76/61/65/323766165.db2.gz MJRDOKCIBLVRFK-OCCSQVGLSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000387699565 323766233 /nfs/dbraw/zinc/76/62/33/323766233.db2.gz OZWBECAESXGLJH-OCCSQVGLSA-N -2 3 349.811 2.791 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCC(C)(C)C ZINC000387955994 323767623 /nfs/dbraw/zinc/76/76/23/323767623.db2.gz ZHIIQJTWLFUMGI-UHFFFAOYSA-N -2 3 349.836 2.761 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000389344314 323771796 /nfs/dbraw/zinc/77/17/96/323771796.db2.gz JUTVBKSQEMMIOL-GXTWGEPZSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)[O-] ZINC000392935374 323788687 /nfs/dbraw/zinc/78/86/87/323788687.db2.gz WILISPXZFMTPFY-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCC1 ZINC000399200777 323795702 /nfs/dbraw/zinc/79/57/02/323795702.db2.gz LITCLARCHOKGMG-LLVKDONJSA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CCC1 ZINC000399200780 323796105 /nfs/dbraw/zinc/79/61/05/323796105.db2.gz LITCLARCHOKGMG-NSHDSACASA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C1CCC1 ZINC000580688283 324211892 /nfs/dbraw/zinc/21/18/92/324211892.db2.gz ZKUPUCWAAHVTCC-LLVKDONJSA-N -2 3 338.212 2.525 20 0 EFADHL CC(=O)c1[n-]c(=NCc2ccc(OCCCC(=O)[O-])cc2)sc1C ZINC000581887454 324474410 /nfs/dbraw/zinc/47/44/10/324474410.db2.gz QUXPHXTZCSCLDR-UHFFFAOYSA-N -2 3 348.424 2.932 20 0 EFADHL Cc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cccc(Cl)c2Cl)n1 ZINC000007385650 462733711 /nfs/dbraw/zinc/73/37/11/462733711.db2.gz SPTBMLIGKTVLBW-UHFFFAOYSA-N -2 3 347.227 2.706 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cs1 ZINC000112835852 473319447 /nfs/dbraw/zinc/31/94/47/473319447.db2.gz SLGVLLQVNKJJBP-UHFFFAOYSA-N -2 3 337.300 2.664 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1cccs1 ZINC000125290047 473389419 /nfs/dbraw/zinc/38/94/19/473389419.db2.gz ILJRESDDFGDHRK-VIFPVBQESA-N -2 3 337.831 2.567 20 0 EFADHL COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)c([O-])c1 ZINC000622000531 479876183 /nfs/dbraw/zinc/87/61/83/479876183.db2.gz QSPYDJGNCZJCBG-YDHLFZDLSA-N -2 3 333.384 2.506 20 0 EFADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000035085493 471993812 /nfs/dbraw/zinc/99/38/12/471993812.db2.gz YHMIUIJLCLEUCZ-LLVKDONJSA-N -2 3 340.228 2.915 20 0 EFADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000035085499 471994003 /nfs/dbraw/zinc/99/40/03/471994003.db2.gz OQGAMUVNIOPMQJ-JTQLQIEISA-N -2 3 340.228 2.915 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC000067124058 471994830 /nfs/dbraw/zinc/99/48/30/471994830.db2.gz AXAPBEUODAYZGJ-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000035390696 471996906 /nfs/dbraw/zinc/99/69/06/471996906.db2.gz XZYSBGJHTKUZTE-JTQLQIEISA-N -2 3 340.228 2.771 20 0 EFADHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000036961350 472008543 /nfs/dbraw/zinc/00/85/43/472008543.db2.gz NQBNAUPDCGAHAA-HQJQHLMTSA-N -2 3 340.228 2.771 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000024432792 472054881 /nfs/dbraw/zinc/05/48/81/472054881.db2.gz ARZFNDKBIRWNAG-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL CC1(C)Oc2ccc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2O1 ZINC000042792227 472170535 /nfs/dbraw/zinc/17/05/35/472170535.db2.gz QXHXCRZJOANSCQ-UHFFFAOYSA-N -2 3 349.364 2.693 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000076195259 472294353 /nfs/dbraw/zinc/29/43/53/472294353.db2.gz WSYJHHZXZWQMAO-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000087672996 472343962 /nfs/dbraw/zinc/34/39/62/472343962.db2.gz CIVBCDYAHACPGP-RKDXNWHRSA-N -2 3 339.866 2.959 20 0 EFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000087491908 472340676 /nfs/dbraw/zinc/34/06/76/472340676.db2.gz YNECXPOHAGVGKK-QMMMGPOBSA-N -2 3 340.228 2.629 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])cc1C ZINC000032596922 472445247 /nfs/dbraw/zinc/44/52/47/472445247.db2.gz UUPRPMBHOCIHON-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C([O-])c1cc(N2CCCC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000033007169 472488160 /nfs/dbraw/zinc/48/81/60/472488160.db2.gz HDJSPOVZHWJARO-UHFFFAOYSA-N -2 3 346.408 2.786 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C#N)cc2)cc1C(=O)[O-] ZINC000045946188 472489001 /nfs/dbraw/zinc/48/90/01/472489001.db2.gz DANOMIOUDPHTSV-UHFFFAOYSA-N -2 3 330.365 2.674 20 0 EFADHL O=C([O-])CCCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000070198365 472495170 /nfs/dbraw/zinc/49/51/70/472495170.db2.gz PDYKFPXYUBXEQK-UHFFFAOYSA-N -2 3 326.201 2.527 20 0 EFADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000070312087 472496633 /nfs/dbraw/zinc/49/66/33/472496633.db2.gz BCVGNQLHZLMNFG-SSDOTTSWSA-N -2 3 326.201 2.525 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)c(F)c1 ZINC000058368590 472556331 /nfs/dbraw/zinc/55/63/31/472556331.db2.gz SHQBXJPCSNBFQF-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL CCN(c1ccccc1)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1[O-] ZINC000058377318 472557437 /nfs/dbraw/zinc/55/74/37/472557437.db2.gz JMFZYDDNGMRDMD-UHFFFAOYSA-N -2 3 335.381 2.614 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(C)(C)C(=O)[O-])cc2)cc1 ZINC000071916513 472620476 /nfs/dbraw/zinc/62/04/76/472620476.db2.gz OCZZGMSMWDNGKE-UHFFFAOYSA-N -2 3 349.408 2.858 20 0 EFADHL Cc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c([O-])c1 ZINC000104137693 472657447 /nfs/dbraw/zinc/65/74/47/472657447.db2.gz HRYCHAVHMNMXMB-UHFFFAOYSA-N -2 3 327.315 2.983 20 0 EFADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccccc2F)on1 ZINC000047528253 472726004 /nfs/dbraw/zinc/72/60/04/472726004.db2.gz QKCPYTJSULHALP-UHFFFAOYSA-N -2 3 341.224 2.870 20 0 EFADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccc(F)cc2F)c1 ZINC000078710535 472757756 /nfs/dbraw/zinc/75/77/56/472757756.db2.gz UUEOTCDDZRIYOQ-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL COc1ccc2nc(-c3cc(Cl)c([O-])c(OC)c3)[n-]c(=O)c2c1 ZINC000063580802 472790081 /nfs/dbraw/zinc/79/00/81/472790081.db2.gz NYYMGJNSOSYVAC-UHFFFAOYSA-N -2 3 332.743 2.966 20 0 EFADHL Cc1ccc([O-])c([N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)c1 ZINC000133555223 472816171 /nfs/dbraw/zinc/81/61/71/472816171.db2.gz YNDOWEJNVIHVKH-SJKOYZFVSA-N -2 3 337.441 2.838 20 0 EFADHL CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1cc([O-])cc(F)c1)C(=O)C2 ZINC000133631319 472825166 /nfs/dbraw/zinc/82/51/66/472825166.db2.gz CIBPIBAYTKSFEI-QLJPJBMISA-N -2 3 341.404 2.668 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c([O-])c1 ZINC000092258898 472883383 /nfs/dbraw/zinc/88/33/83/472883383.db2.gz CGIZLKGIRUHYCY-UHFFFAOYSA-N -2 3 325.361 2.660 20 0 EFADHL Cc1cc([C@H](C)[N-]S(=O)(=O)c2scnc2C(=O)[O-])c(C)s1 ZINC000134680474 472951484 /nfs/dbraw/zinc/95/14/84/472951484.db2.gz CLPUNMCCFBMWLX-ZETCQYMHSA-N -2 3 346.455 2.559 20 0 EFADHL Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)s1 ZINC000080241019 473002240 /nfs/dbraw/zinc/00/22/40/473002240.db2.gz GVQKXVYGYOTDBF-QMMMGPOBSA-N -2 3 345.467 2.726 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000135573411 473096153 /nfs/dbraw/zinc/09/61/53/473096153.db2.gz RHIIRVLGLCSQGM-QPUJVOFHSA-N -2 3 337.850 2.713 20 0 EFADHL Cc1[nH]nc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3C)ccc12 ZINC000093909146 473161846 /nfs/dbraw/zinc/16/18/46/473161846.db2.gz UMJKEJBMUIDQIC-UHFFFAOYSA-N -2 3 345.380 2.679 20 0 EFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000123891146 473194991 /nfs/dbraw/zinc/19/49/91/473194991.db2.gz RTYMXQWHRRAMDT-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000166674733 473529667 /nfs/dbraw/zinc/52/96/67/473529667.db2.gz GAXUJBGAXPVEMP-UHFFFAOYSA-N -2 3 338.212 2.527 20 0 EFADHL O=C([O-])c1ccccc1OCc1nc(=O)c2c3c(sc2[n-]1)CCC3 ZINC000194399158 473892263 /nfs/dbraw/zinc/89/22/63/473892263.db2.gz JBFDSHVXLKCZMR-UHFFFAOYSA-N -2 3 342.376 2.751 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCC(F)(F)F)c(Cl)c1 ZINC000282165549 473967585 /nfs/dbraw/zinc/96/75/85/473967585.db2.gz LPKZNERWQMAXCS-UHFFFAOYSA-N -2 3 345.726 2.659 20 0 EFADHL COc1cc2nc(-c3ccc([O-])cc3Cl)[n-]c(=O)c2cc1OC ZINC000190097268 474547428 /nfs/dbraw/zinc/54/74/28/474547428.db2.gz UIEVQLQHMZAGMC-UHFFFAOYSA-N -2 3 332.743 2.966 20 0 EFADHL CCOc1cccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000337051911 474664066 /nfs/dbraw/zinc/66/40/66/474664066.db2.gz RXCARKWKSJRJEU-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL O=C(NN=Cc1cc(Br)ccc1[O-])c1ccccc1[O-] ZINC000254514505 474773041 /nfs/dbraw/zinc/77/30/41/474773041.db2.gz OJYRTKAXLIHPGV-UHFFFAOYSA-N -2 3 335.157 2.624 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCCC(C)C ZINC000314438809 474862527 /nfs/dbraw/zinc/86/25/27/474862527.db2.gz ZTTHXTWFAKPGKS-UHFFFAOYSA-N -2 3 349.836 2.761 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000314945828 474867633 /nfs/dbraw/zinc/86/76/33/474867633.db2.gz BQHBAXLHFYICMC-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2)c1F ZINC000315091269 474869984 /nfs/dbraw/zinc/86/99/84/474869984.db2.gz OKRYFCYFOLDONN-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1 ZINC000318746024 474893233 /nfs/dbraw/zinc/89/32/33/474893233.db2.gz ADIXUWBKONMURA-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1F ZINC000318868029 474893797 /nfs/dbraw/zinc/89/37/97/474893797.db2.gz JTJQETLHUUOVDT-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL COc1c(C)ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000319608695 474901727 /nfs/dbraw/zinc/90/17/27/474901727.db2.gz NBOYHNZWUKNANR-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000319490861 474901922 /nfs/dbraw/zinc/90/19/22/474901922.db2.gz DKJFBLBIBGMYJS-UHFFFAOYSA-N -2 3 335.381 2.513 20 0 EFADHL C/C=C/c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000341064315 474935405 /nfs/dbraw/zinc/93/54/05/474935405.db2.gz MCYQHVSTYLOVMV-NSCUHMNNSA-N -3 3 333.365 2.924 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1O ZINC000323085633 474946238 /nfs/dbraw/zinc/94/62/38/474946238.db2.gz UKXCTIBBYLXCOH-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000323334355 474947828 /nfs/dbraw/zinc/94/78/28/474947828.db2.gz NJMMRFQXOQACKC-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1Cc1nc(=O)c2sccc2[n-]1 ZINC000294284982 475066024 /nfs/dbraw/zinc/06/60/24/475066024.db2.gz ULCZFJILAZDTTD-USWWRNFRSA-N -2 3 333.413 2.615 20 0 EFADHL COc1cccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1OC ZINC000347389668 475290254 /nfs/dbraw/zinc/29/02/54/475290254.db2.gz JDYAFVGDAGRHNZ-CLFYSBASSA-N -2 3 344.367 2.695 20 0 EFADHL CCO[C@H](C)c1ncc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)s1 ZINC000361365718 475389049 /nfs/dbraw/zinc/38/90/49/475389049.db2.gz MOCWCWWNYWCFAP-RXMQYKEDSA-N -2 3 335.311 2.630 20 0 EFADHL Cc1ccc(-c2cc(C(=O)N=c3nc(C(C)(C)C)[n-]s3)[n-]n2)o1 ZINC000354892453 475496964 /nfs/dbraw/zinc/49/69/64/475496964.db2.gz XMFDCNORXIEPTL-UHFFFAOYSA-N -2 3 331.401 2.801 20 0 EFADHL Cc1ccc(-c2cc(C(=O)N=c3nc(C(C)(C)C)[n-]s3)n[n-]2)o1 ZINC000354892453 475496972 /nfs/dbraw/zinc/49/69/72/475496972.db2.gz XMFDCNORXIEPTL-UHFFFAOYSA-N -2 3 331.401 2.801 20 0 EFADHL CC(=O)Nc1ccc([O-])c(C(=O)N2CCCc3cccc([O-])c32)c1 ZINC000352664096 475506761 /nfs/dbraw/zinc/50/67/61/475506761.db2.gz KLVWDUPQAHGZBS-UHFFFAOYSA-N -2 3 326.352 2.649 20 0 EFADHL CCO[C@H](C)c1ncc(C(=O)[N-]c2n[n-]c(-c3ccco3)n2)s1 ZINC000361623656 475607135 /nfs/dbraw/zinc/60/71/35/475607135.db2.gz VZUYWMARLFCYFJ-MRVPVSSYSA-N -2 3 333.373 2.871 20 0 EFADHL CC(C)c1ccc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c([O-])c1 ZINC000332349831 475609598 /nfs/dbraw/zinc/60/95/98/475609598.db2.gz QMYFYAXOIYEYOP-GFCCVEGCSA-N -2 3 331.372 2.624 20 0 EFADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000297132071 475623257 /nfs/dbraw/zinc/62/32/57/475623257.db2.gz HMOCXHNYDFLANR-QMTHXVAHSA-N -2 3 347.383 2.667 20 0 EFADHL Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000348420784 475656036 /nfs/dbraw/zinc/65/60/36/475656036.db2.gz KWMUBIGJIYXGKN-UHFFFAOYSA-N -2 3 349.408 2.603 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1 ZINC000342972243 475665899 /nfs/dbraw/zinc/66/58/99/475665899.db2.gz OUHFSAHXAAQMNG-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL CC[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000297274705 475686992 /nfs/dbraw/zinc/68/69/92/475686992.db2.gz SXUFDJHCXNZMDH-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000297278104 475688708 /nfs/dbraw/zinc/68/87/08/475688708.db2.gz TWYKMUHLJWSBTQ-SECBINFHSA-N -2 3 340.228 2.915 20 0 EFADHL CC[C@H](C)c1ncc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cn1 ZINC000358495633 475724984 /nfs/dbraw/zinc/72/49/84/475724984.db2.gz JWMLGPMDFKYJFE-JTQLQIEISA-N -2 3 337.401 2.505 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000340329900 475950323 /nfs/dbraw/zinc/95/03/23/475950323.db2.gz NFYBQGJVMVBXEZ-UHFFFAOYSA-N -2 3 325.777 2.824 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)c1 ZINC000355470448 475966385 /nfs/dbraw/zinc/96/63/85/475966385.db2.gz JARISNHLGGKJTI-NEPJUHHUSA-N -2 3 329.443 2.693 20 0 EFADHL CCS[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000355477066 475971106 /nfs/dbraw/zinc/97/11/06/475971106.db2.gz YVQDQCYTFORCOD-GHMZBOCLSA-N -2 3 349.499 2.789 20 0 EFADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000353579150 476095801 /nfs/dbraw/zinc/09/58/01/476095801.db2.gz PNOFYYIMFZSFGE-UHFFFAOYSA-N -2 3 346.364 2.681 20 0 EFADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000362234628 476099552 /nfs/dbraw/zinc/09/95/52/476099552.db2.gz NAFJIWVYFYHZNU-LBPRGKRZSA-N -2 3 335.372 2.523 20 0 EFADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)ccc1F ZINC000336865533 476148699 /nfs/dbraw/zinc/14/86/99/476148699.db2.gz XBTYPXPZEYZZQG-UHFFFAOYSA-N -2 3 335.356 2.813 20 0 EFADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000336868370 476149513 /nfs/dbraw/zinc/14/95/13/476149513.db2.gz XGFGMYMQHJJABF-UHFFFAOYSA-N -2 3 343.788 2.727 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C)c1 ZINC000336867392 476150443 /nfs/dbraw/zinc/15/04/43/476150443.db2.gz MUVVUJJZBDOMND-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1 ZINC000336875508 476159712 /nfs/dbraw/zinc/15/97/12/476159712.db2.gz HZASLPHFOYXMQF-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000357037545 476177750 /nfs/dbraw/zinc/17/77/50/476177750.db2.gz YTNLSPHCIVJOTH-UHFFFAOYSA-N -2 3 343.763 2.907 20 0 EFADHL CS(=O)(=O)[N-]c1ccc(-c2noc(-c3cc(F)ccc3[O-])n2)cc1 ZINC000350565119 476247556 /nfs/dbraw/zinc/24/75/56/476247556.db2.gz BJSAIUAIMWQKDA-UHFFFAOYSA-N -2 3 349.343 2.620 20 0 EFADHL CCOc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000337033935 476273183 /nfs/dbraw/zinc/27/31/83/476273183.db2.gz HJULXVJFLRCLEZ-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cccc1C(=O)[O-] ZINC000357198095 476286666 /nfs/dbraw/zinc/28/66/66/476286666.db2.gz HICWFOOVWNUFID-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(C(=O)[O-])cc3)ccc2O1 ZINC000357694049 476542922 /nfs/dbraw/zinc/54/29/22/476542922.db2.gz IDJHOPNAGVLLBN-SNVBAGLBSA-N -2 3 333.365 2.509 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CC1CCCC1 ZINC000386583503 476768620 /nfs/dbraw/zinc/76/86/20/476768620.db2.gz SWRVWBIUMCFBAM-UHFFFAOYSA-N -2 3 347.820 2.515 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c1 ZINC000387940507 476774433 /nfs/dbraw/zinc/77/44/33/476774433.db2.gz ADXXKEVEUSSEOS-RYUDHWBXSA-N -2 3 331.409 2.692 20 0 EFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000400393164 476889402 /nfs/dbraw/zinc/88/94/02/476889402.db2.gz NHGKCOAFYGHWMF-HTQZYQBOSA-N -2 3 325.839 2.569 20 0 EFADHL CC(C)(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000401516671 476899430 /nfs/dbraw/zinc/89/94/30/476899430.db2.gz LLNCEIZLRPJSDY-ZETCQYMHSA-N -2 3 325.839 2.569 20 0 EFADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000431160219 476987379 /nfs/dbraw/zinc/98/73/79/476987379.db2.gz KXNWQGBCSUCLCP-UHFFFAOYSA-N -2 3 345.298 2.532 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c(F)c1 ZINC000435875895 477385677 /nfs/dbraw/zinc/38/56/77/477385677.db2.gz GDLKEXFEXLZKFI-HDJSIYSDSA-N -2 3 349.383 2.748 20 0 EFADHL COC(=O)c1ccc([O-])c(NC(=O)Cc2ccc([O-])cc2Cl)c1 ZINC000436510194 477497891 /nfs/dbraw/zinc/49/78/91/477497891.db2.gz SPWLIRNTXMPGGQ-UHFFFAOYSA-N -2 3 335.743 2.719 20 0 EFADHL O=C(Nc1ccc(Cc2nnn[n-]2)cc1)c1cc2c(cc1[O-])CCCC2 ZINC000436582793 477523332 /nfs/dbraw/zinc/52/33/32/477523332.db2.gz CAJBSRZKEKNTNC-UHFFFAOYSA-N -2 3 349.394 2.627 20 0 EFADHL O=C(NCc1ccc([O-])c(F)c1)c1ccc(Br)cc1[O-] ZINC000436605519 477531793 /nfs/dbraw/zinc/53/17/93/477531793.db2.gz PRVKIBDYOVHSMV-UHFFFAOYSA-N -2 3 340.148 2.929 20 0 EFADHL O=C(Nc1nnc(-c2cc3ccccc3o2)[n-]1)C(=O)c1ccc([O-])cc1 ZINC000436627292 477536997 /nfs/dbraw/zinc/53/69/97/477536997.db2.gz VQZXJCAGFVHYAR-UHFFFAOYSA-N -2 3 348.318 2.745 20 0 EFADHL O=C(Nc1nc(-c2cc3ccccc3o2)n[n-]1)C(=O)c1ccc([O-])cc1 ZINC000436627292 477537002 /nfs/dbraw/zinc/53/70/02/477537002.db2.gz VQZXJCAGFVHYAR-UHFFFAOYSA-N -2 3 348.318 2.745 20 0 EFADHL O=C(Nc1n[n-]c(-c2cc3ccccc3o2)n1)C(=O)c1ccc([O-])cc1 ZINC000436627292 477537006 /nfs/dbraw/zinc/53/70/06/477537006.db2.gz VQZXJCAGFVHYAR-UHFFFAOYSA-N -2 3 348.318 2.745 20 0 EFADHL O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)c1ccc([O-])cc1[O-] ZINC000436631610 477538493 /nfs/dbraw/zinc/53/84/93/477538493.db2.gz VVYBLAMDJWRUFS-UHFFFAOYSA-N -3 3 335.772 2.877 20 0 EFADHL Cc1cccc(N(C)S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2[O-])c1 ZINC000436684329 477558560 /nfs/dbraw/zinc/55/85/60/477558560.db2.gz YREQSOVNCDTARJ-UHFFFAOYSA-N -2 3 335.381 2.532 20 0 EFADHL Cn1[n-]c(=NC(=O)c2ccc3ccccc3c2[O-])cc1OC(F)F ZINC000436739543 477575291 /nfs/dbraw/zinc/57/52/91/477575291.db2.gz OMLYNLXIHXWOJJ-UHFFFAOYSA-N -2 3 333.294 2.555 20 0 EFADHL CCc1ccc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])c([O-])c1 ZINC000436834276 477606603 /nfs/dbraw/zinc/60/66/03/477606603.db2.gz LTYSDMYEEPNYRL-UHFFFAOYSA-N -2 3 349.408 2.706 20 0 EFADHL O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1cc(F)ccc1[O-] ZINC000436914947 477632511 /nfs/dbraw/zinc/63/25/11/477632511.db2.gz LQPJANKECXXVBL-UHFFFAOYSA-N -2 3 348.721 2.928 20 0 EFADHL O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1cc(F)ccc1[O-] ZINC000436914947 477632522 /nfs/dbraw/zinc/63/25/22/477632522.db2.gz LQPJANKECXXVBL-UHFFFAOYSA-N -2 3 348.721 2.928 20 0 EFADHL CC(C)(C)c1ccc([N-]S(=O)(=O)c2c[nH]c(=O)s2)c([O-])c1 ZINC000451041858 477799214 /nfs/dbraw/zinc/79/92/14/477799214.db2.gz BNBWLXJRAUUKKX-UHFFFAOYSA-N -2 3 328.415 2.653 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)c1 ZINC000451090556 477817748 /nfs/dbraw/zinc/81/77/48/477817748.db2.gz UTTUCKMBYWSOLW-UHFFFAOYSA-N -2 3 337.397 2.989 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1C(=O)[O-] ZINC000532648516 477964427 /nfs/dbraw/zinc/96/44/27/477964427.db2.gz SZCAXVZUAWFCJR-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@H](Cc2ccccc2)OC)c1 ZINC000421158081 477987633 /nfs/dbraw/zinc/98/76/33/477987633.db2.gz RKLCMPXZRQNQHI-INIZCTEOSA-N -2 3 349.452 2.954 20 0 EFADHL CC(C)(C)c1n[n-]c(CN=c2[n-]c(-c3cccc(Cl)c3)no2)n1 ZINC000516957265 478021458 /nfs/dbraw/zinc/02/14/58/478021458.db2.gz ZHQBXGFMIOMABS-UHFFFAOYSA-N -2 3 332.795 2.840 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000560420931 478072664 /nfs/dbraw/zinc/07/26/64/478072664.db2.gz NYXIQPHHOMATNV-PLNGDYQASA-N -3 3 342.351 2.603 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])c(F)c1 ZINC000560480682 478090657 /nfs/dbraw/zinc/09/06/57/478090657.db2.gz GDTMNUQHAVSZFZ-TZMCWYRMSA-N -2 3 343.420 2.836 20 0 EFADHL CCc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000534150684 478128744 /nfs/dbraw/zinc/12/87/44/478128744.db2.gz DREOHUHUUCMTNN-UHFFFAOYSA-N -3 3 339.344 2.593 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000560888769 478140321 /nfs/dbraw/zinc/14/03/21/478140321.db2.gz BVCRYPVOVOLAJG-QWHCGFSZSA-N -2 3 337.422 2.648 20 0 EFADHL Cc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c([O-])c1 ZINC000518195681 478150386 /nfs/dbraw/zinc/15/03/86/478150386.db2.gz ZQQKZZPKBCBWNV-IBGZPJMESA-N -2 3 325.364 2.569 20 0 EFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1C ZINC000536395462 478250340 /nfs/dbraw/zinc/25/03/40/478250340.db2.gz NJSVLNWENOPZBS-UHFFFAOYSA-N -3 3 339.344 2.647 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c2cccnc12 ZINC000536609939 478262527 /nfs/dbraw/zinc/26/25/27/478262527.db2.gz UDQDZNZKQXMSSP-UHFFFAOYSA-N -2 3 348.355 2.889 20 0 EFADHL O=C([O-])[C@H]1C[C@H]([N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)C1 ZINC000579582563 478330652 /nfs/dbraw/zinc/33/06/52/478330652.db2.gz FRVJGEDXVULZAW-XYPYZODXSA-N -2 3 339.800 2.635 20 0 EFADHL Cc1nc(C=Cc2ccnn2C2CCCC2)[n-]c(=O)c1CCC(=O)[O-] ZINC000570368549 478342602 /nfs/dbraw/zinc/34/26/02/478342602.db2.gz QAQDWLYYRIDOEX-SOFGYWHQSA-N -2 3 342.399 2.990 20 0 EFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000562967859 478396216 /nfs/dbraw/zinc/39/62/16/478396216.db2.gz LLMNZNIENCKYJO-CQSZACIVSA-N -2 3 339.388 2.757 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)C ZINC000570750024 478436150 /nfs/dbraw/zinc/43/61/50/478436150.db2.gz KRVWVCNXWGJFBM-LBPRGKRZSA-N -2 3 343.376 2.658 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CC[C@@H](C)C[C@H]1C ZINC000563071330 478438516 /nfs/dbraw/zinc/43/85/16/478438516.db2.gz BFYHMQHBZIREQV-OPRDCNLKSA-N -2 3 347.458 2.558 20 0 EFADHL CC1(C)CCC([N-]S(=O)(=O)c2cc(F)cc(F)c2)(C(=O)[O-])CC1 ZINC000541930690 478616113 /nfs/dbraw/zinc/61/61/13/478616113.db2.gz NYCDWDHOGOYXOJ-UHFFFAOYSA-N -2 3 347.383 2.667 20 0 EFADHL CC(C)[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000572638126 478885278 /nfs/dbraw/zinc/88/52/78/478885278.db2.gz PBQSAFUYORJGAQ-LLVKDONJSA-N -2 3 325.839 2.569 20 0 EFADHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1c[n-]c2ccccc2c1=O ZINC000507350932 478917133 /nfs/dbraw/zinc/91/71/33/478917133.db2.gz WSBUAIXMEIBTDK-UHFFFAOYSA-N -2 3 346.346 2.876 20 0 EFADHL O=C(Nc1ccc(-c2cc(=O)[nH][n-]2)cc1)c1cnc2ccccc2c1[O-] ZINC000507350932 478917139 /nfs/dbraw/zinc/91/71/39/478917139.db2.gz WSBUAIXMEIBTDK-UHFFFAOYSA-N -2 3 346.346 2.876 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2(C3CCC3)CCC2)c1 ZINC000584219240 479055598 /nfs/dbraw/zinc/05/55/98/479055598.db2.gz SMHUNQDTFWSRGX-UHFFFAOYSA-N -2 3 329.443 2.695 20 0 EFADHL CC(C)(C)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)C[C@H]2CCCO2)c1 ZINC000573578796 479098431 /nfs/dbraw/zinc/09/84/31/479098431.db2.gz WJJRUHNMRONWFZ-GFCCVEGCSA-N -2 3 341.429 2.603 20 0 EFADHL CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000584467299 479145671 /nfs/dbraw/zinc/14/56/71/479145671.db2.gz GJIUPTRAMBFQDQ-MNOVXSKESA-N -2 3 347.458 2.629 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@](C)(CC(=O)[O-])C(C)C ZINC000574274885 479254226 /nfs/dbraw/zinc/25/42/26/479254226.db2.gz WCTQPSBPLUNMDI-CQSZACIVSA-N -2 3 349.836 2.516 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)[C@H](C)C(=O)[O-] ZINC000575333949 479432766 /nfs/dbraw/zinc/43/27/66/479432766.db2.gz IGRUDYJAWJQLHS-CBAPKCEASA-N -2 3 345.804 2.782 20 0 EFADHL CCOC(=O)c1ncc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])[n-]1 ZINC000619447702 479795553 /nfs/dbraw/zinc/79/55/53/479795553.db2.gz LFKRQGZDOZZXKZ-UHFFFAOYSA-N -2 3 343.261 2.563 20 0 EFADHL CCOC(=O)c1nc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c[n-]1 ZINC000619447702 479795557 /nfs/dbraw/zinc/79/55/57/479795557.db2.gz LFKRQGZDOZZXKZ-UHFFFAOYSA-N -2 3 343.261 2.563 20 0 EFADHL CCO[C@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000629292627 480203241 /nfs/dbraw/zinc/20/32/41/480203241.db2.gz SHYPGUUTLYTJKO-CYBMUJFWSA-N -2 3 347.820 2.595 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@]2(C)C(=O)[O-])c(F)c1F ZINC000629296064 480204832 /nfs/dbraw/zinc/20/48/32/480204832.db2.gz DDUAVARGGMFFBY-NHYWBVRUSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c(F)c1F ZINC000629295489 480204916 /nfs/dbraw/zinc/20/49/16/480204916.db2.gz QDRBWDXIFOLMCE-GHMZBOCLSA-N -2 3 349.399 2.831 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)c(F)c1F ZINC000629296584 480205100 /nfs/dbraw/zinc/20/51/00/480205100.db2.gz HYEBAAOMKINOCT-SNVBAGLBSA-N -2 3 349.399 2.689 20 0 EFADHL O=c1c2c([n-]n1-c1cn[n-]c(=O)c1Cl)-c1ccccc1CCC2 ZINC000634586935 480370569 /nfs/dbraw/zinc/37/05/69/480370569.db2.gz ADPIEEUNJDTPPS-LLVKDONJSA-N -2 3 328.759 2.539 20 0 EFADHL CCOc1cc(CN2CC[C@@H](C(=O)[O-])[C@@H](C)C2)cc(Cl)c1[O-] ZINC000629772938 480399484 /nfs/dbraw/zinc/39/94/84/480399484.db2.gz ZSQNYIVKBNDXGC-CMPLNLGQSA-N -2 3 327.808 2.987 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC000634653481 480400402 /nfs/dbraw/zinc/40/04/02/480400402.db2.gz WWZNYPZOGDMYES-ZIAGYGMSSA-N -2 3 335.381 2.592 20 0 EFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000644571796 480446076 /nfs/dbraw/zinc/44/60/76/480446076.db2.gz CZVAPFLKNDEALV-PELKAZGASA-N -2 3 337.800 2.503 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)CCC(C)C ZINC000645941206 480979746 /nfs/dbraw/zinc/97/97/46/480979746.db2.gz TZFJJBQUDBWADQ-SECBINFHSA-N -2 3 335.447 2.558 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)c1cccs1 ZINC000645944799 480981827 /nfs/dbraw/zinc/98/18/27/480981827.db2.gz GACRCLWBOFNMMN-ZETCQYMHSA-N -2 3 347.439 2.556 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCC2)c1 ZINC000646059965 481051242 /nfs/dbraw/zinc/05/12/42/481051242.db2.gz WICPVQBSZCGFCQ-CQSZACIVSA-N -2 3 327.402 2.615 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c1F ZINC000653494117 481282765 /nfs/dbraw/zinc/28/27/65/481282765.db2.gz QKUPMGQBKCGDIM-GRYCIOLGSA-N -2 3 343.420 2.548 20 0 EFADHL CC(C)c1cc(C(=O)N2CCO[C@H](C(=O)[O-])C2)c([O-])c(C(C)C)c1 ZINC000653545069 481317700 /nfs/dbraw/zinc/31/77/00/481317700.db2.gz UOYLLQWKYLWURO-HNNXBMFYSA-N -2 3 335.400 2.565 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])C(C)C ZINC000647127585 481650254 /nfs/dbraw/zinc/65/02/54/481650254.db2.gz WFKZSYJCLFBCNT-LBPRGKRZSA-N -2 3 341.351 2.824 20 0 EFADHL O=C([O-])[C@@H]1CC[C@H](NC(=O)c2c[n-]nc2-c2ccc(Cl)s2)C1 ZINC000647262129 481733522 /nfs/dbraw/zinc/73/35/22/481733522.db2.gz CUZHTAPDPNBWTN-SFYZADRCSA-N -2 3 339.804 2.775 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC000663146242 482085653 /nfs/dbraw/zinc/08/56/53/482085653.db2.gz CCGCPNXMFNULTI-KRWDZBQOSA-N -2 3 325.364 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CCCCc2ccccc2)oc1C(=O)[O-] ZINC000663419721 482222629 /nfs/dbraw/zinc/22/26/29/482222629.db2.gz BPIGHWWROPFOLB-UHFFFAOYSA-N -2 3 337.397 2.587 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(C)C)cc2)oc1C(=O)[O-] ZINC000663421455 482223376 /nfs/dbraw/zinc/22/33/76/482223376.db2.gz PRRJQQPRKFPELR-UHFFFAOYSA-N -2 3 337.397 2.888 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(C)c2C)oc1C(=O)[O-] ZINC000663423184 482224972 /nfs/dbraw/zinc/22/49/72/482224972.db2.gz RHWOCPRIRBXHOU-GFCCVEGCSA-N -2 3 337.397 2.943 20 0 EFADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000131851073 533829827 /nfs/dbraw/zinc/82/98/27/533829827.db2.gz YKNPDRDXFVBXRZ-MRVPVSSYSA-N -2 3 340.228 2.915 20 0 EFADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000131917721 533830094 /nfs/dbraw/zinc/83/00/94/533830094.db2.gz KVXSBNFFKLDUKU-MRVPVSSYSA-N -2 3 340.228 2.915 20 0 EFADHL C[C@H]1CC[C@@H](C(=O)[O-])CN1Cc1cccc([O-])c1Br ZINC000263017492 524338802 /nfs/dbraw/zinc/33/88/02/524338802.db2.gz DFOJICUICNILJU-GXSJLCMTSA-N -2 3 328.206 2.840 20 0 EFADHL CCC(=O)c1cccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1 ZINC000342772588 535347782 /nfs/dbraw/zinc/34/77/82/535347782.db2.gz ALCGQSFCKMYTPF-UHFFFAOYSA-N -2 3 335.381 2.794 20 0 EFADHL COc1cc(C)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000349105618 536558492 /nfs/dbraw/zinc/55/84/92/536558492.db2.gz GTHUHRYSGLQCTG-AATRIKPKSA-N -2 3 344.367 2.614 20 0 EFADHL CO[C@H](C)CS(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000193332847 536869580 /nfs/dbraw/zinc/86/95/80/536869580.db2.gz MFZFXQIJEYTUTR-CYBMUJFWSA-N -2 3 335.425 2.760 20 0 EFADHL CCn1cc(S(=O)(=O)[N-]c2ccc(C)cc2Cl)cc1C(=O)[O-] ZINC000315361339 545810981 /nfs/dbraw/zinc/81/09/81/545810981.db2.gz DAHIMODUTYLBDH-UHFFFAOYSA-N -2 3 342.804 2.969 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc(C(=O)[O-])c1 ZINC000507563184 546295916 /nfs/dbraw/zinc/29/59/16/546295916.db2.gz GWUDWDVOTHEFBP-LLVKDONJSA-N -2 3 347.392 2.817 20 0 EFADHL C[C@@H](CC(F)(F)F)CS(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000656509886 546825077 /nfs/dbraw/zinc/82/50/77/546825077.db2.gz ZKIJGBWCMCUKDC-ZETCQYMHSA-N -2 3 343.298 2.854 20 0 EFADHL C[C@@H](CC(F)(F)F)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000656509998 546825238 /nfs/dbraw/zinc/82/52/38/546825238.db2.gz CDALPZUTJDNUTL-ZETCQYMHSA-N -2 3 343.298 2.854 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)c2ccccc2)c1 ZINC000656519113 546827013 /nfs/dbraw/zinc/82/70/13/546827013.db2.gz FKBDHUYCJHTUJL-FZMZJTMJSA-N -2 3 339.438 2.592 20 0 EFADHL CC(C)(C)c1ccc(S(=O)(=O)[N-][C@@](C)(CCF)C(=O)[O-])s1 ZINC000656726080 546902268 /nfs/dbraw/zinc/90/22/68/546902268.db2.gz YRVRUKURAUEAFG-ZDUSSCGKSA-N -2 3 337.438 2.527 20 0 EFADHL O=C([O-])c1cnc(C=Cc2cc(Br)cs2)[n-]c1=O ZINC000670369861 547474277 /nfs/dbraw/zinc/47/42/77/547474277.db2.gz GXRSMCLZDLSCQU-OWOJBTEDSA-N -2 3 327.159 2.875 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc(Oc3cnccn3)cc2)[n-]c1=O ZINC000670369763 547474350 /nfs/dbraw/zinc/47/43/50/547474350.db2.gz AHZMMGJELAMKHR-ZZXKWVIFSA-N -2 3 336.307 2.633 20 0 EFADHL Cc1c(F)ccc(C(=O)[O-])c1[N-]S(=O)(=O)CCC(F)(F)F ZINC000679746456 549193302 /nfs/dbraw/zinc/19/33/02/549193302.db2.gz QTVLPHWYKMFWST-UHFFFAOYSA-N -2 3 329.271 2.526 20 0 EFADHL Cc1ccc(F)c(C(=O)[O-])c1[N-]S(=O)(=O)C1Cc2ccccc2C1 ZINC000681565449 549568117 /nfs/dbraw/zinc/56/81/17/549568117.db2.gz WCMJDOKLYCEVJK-UHFFFAOYSA-N -2 3 349.383 2.741 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC(=O)[O-] ZINC000681576544 549569625 /nfs/dbraw/zinc/56/96/25/549569625.db2.gz OYNRKXFMKWLXCP-UHFFFAOYSA-N -2 3 340.228 2.773 20 0 EFADHL CCCCC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761234562 576133952 /nfs/dbraw/zinc/13/39/52/576133952.db2.gz MSMVCKCVWICQKB-SECBINFHSA-N -2 3 335.372 2.910 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000761264455 576137648 /nfs/dbraw/zinc/13/76/48/576137648.db2.gz JKPFMWIQNXNTCQ-ONGXEEELSA-N -2 3 329.393 2.689 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c(Cl)c1 ZINC000398159262 577285106 /nfs/dbraw/zinc/28/51/06/577285106.db2.gz FMRKCIGWJMUJHZ-SNVBAGLBSA-N -2 3 339.747 2.504 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)cc1Cl ZINC000398213920 577285694 /nfs/dbraw/zinc/28/56/94/577285694.db2.gz UCVDLRLHJHLBKZ-SNVBAGLBSA-N -2 3 339.747 2.504 20 0 EFADHL CSc1nc([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)n[n-]1 ZINC000768858653 577311016 /nfs/dbraw/zinc/31/10/16/577311016.db2.gz REEWJAGIRNPAKN-AATRIKPKSA-N -2 3 330.822 2.593 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1N(C)C ZINC000738240312 577350355 /nfs/dbraw/zinc/35/03/55/577350355.db2.gz NLXIFANCKDHCQP-UHFFFAOYSA-N -2 3 334.397 2.560 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(N[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000738295549 577381457 /nfs/dbraw/zinc/38/14/57/577381457.db2.gz PXPHHGDHXFYAKH-LBPRGKRZSA-N -2 3 334.397 2.681 20 0 EFADHL COc1cccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c1F ZINC000769888835 577391704 /nfs/dbraw/zinc/39/17/04/577391704.db2.gz GBPQHQGZOCYNCJ-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2Cl)c(F)cc1F ZINC000740090611 577423852 /nfs/dbraw/zinc/42/38/52/577423852.db2.gz ZVIAAKZNRWNGEM-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL COc1ccc(C(=O)Nc2nc(Br)ccc2[O-])c([O-])c1 ZINC000771576716 581224345 /nfs/dbraw/zinc/22/43/45/581224345.db2.gz STRFESCTNVHFSU-UHFFFAOYSA-N -2 3 339.145 2.516 20 0 EFADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000072833910 599349352 /nfs/dbraw/zinc/34/93/52/599349352.db2.gz OCHUCEZUKMTTCZ-UHFFFAOYSA-N -2 3 338.352 2.923 20 0 EFADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc2[n-]c(=S)oc2c1 ZINC000072833910 599349354 /nfs/dbraw/zinc/34/93/54/599349354.db2.gz OCHUCEZUKMTTCZ-UHFFFAOYSA-N -2 3 338.352 2.923 20 0 EFADHL CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315635152 599769469 /nfs/dbraw/zinc/76/94/69/599769469.db2.gz YHTRTVMABQZUJL-GHMZBOCLSA-N -2 3 329.418 2.861 20 0 EFADHL CSc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000738202589 599848617 /nfs/dbraw/zinc/84/86/17/599848617.db2.gz IUZGKRKQHXWNRA-AWEZNQCLSA-N -2 3 347.392 2.766 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC000736513200 599859345 /nfs/dbraw/zinc/85/93/45/599859345.db2.gz RYKZZGOQEBHAOX-INIZCTEOSA-N -2 3 327.380 2.941 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c(F)c1 ZINC000738632803 600093111 /nfs/dbraw/zinc/09/31/11/600093111.db2.gz MPJDIZRPKOVOHX-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C([O-])c1ccoc1COC(=O)c1cccc(Br)c1[O-] ZINC000740251923 600109947 /nfs/dbraw/zinc/10/99/47/600109947.db2.gz JLAWQFMZKZOOGC-UHFFFAOYSA-N -2 3 341.113 2.803 20 0 EFADHL COC(=O)c1cc(Oc2nc3ccccc3c(=O)[n-]2)cc(C(=O)[O-])c1 ZINC000737673896 600178227 /nfs/dbraw/zinc/17/82/27/600178227.db2.gz FOXZUXKSDASCDB-UHFFFAOYSA-N -2 3 340.291 2.613 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cnc1Cl ZINC000738477072 600299190 /nfs/dbraw/zinc/29/91/90/600299190.db2.gz HOWVCYLZDBXQHA-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(CNC(=O)[O-])cc2)cc1 ZINC000737268157 600301927 /nfs/dbraw/zinc/30/19/27/600301927.db2.gz UHOBARVHDOSGLB-UHFFFAOYSA-N -2 3 334.397 2.817 20 0 EFADHL O=C([O-])[C@@H]1CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739591619 600437490 /nfs/dbraw/zinc/43/74/90/600437490.db2.gz HYFUFTMDCKLJDC-JTQLQIEISA-N -2 3 345.380 2.706 20 0 EFADHL O=C([O-])[C@@H](C[N-]C(=O)C(F)(F)F)Cc1cccc2ccccc21 ZINC000739498886 600598980 /nfs/dbraw/zinc/59/89/80/600598980.db2.gz NEFQXQGUHYCXIO-GFCCVEGCSA-N -2 3 325.286 2.762 20 0 EFADHL COC(=O)Nc1ccc(C(=O)OCc2ccc(C(=O)[O-])cc2)cc1[O-] ZINC000831209653 600730257 /nfs/dbraw/zinc/73/02/57/600730257.db2.gz FMDGGYVUDZPSLB-UHFFFAOYSA-N -2 3 345.307 2.626 20 0 EFADHL COc1cc(C(=O)[O-])cc(NC(=O)c2cc(C)ccc2[O-])c1OC ZINC000737854165 600875972 /nfs/dbraw/zinc/87/59/72/600875972.db2.gz BMPXJJVSRWQJGH-UHFFFAOYSA-N -2 3 331.324 2.668 20 0 EFADHL O=C([O-])C[C@@H]1CN(C(=O)c2nnc3ccccc3c2[O-])c2ccccc21 ZINC000739654077 600909828 /nfs/dbraw/zinc/90/98/28/600909828.db2.gz RLPSAQPBGGFWDP-LLVKDONJSA-N -2 3 349.346 2.554 20 0 EFADHL Cc1ccc(-c2cc(C(=O)Oc3ccccc3CC(=O)[O-])n[n-]2)o1 ZINC000832905650 600960269 /nfs/dbraw/zinc/96/02/69/600960269.db2.gz FPVMQKOHSMHJHP-UHFFFAOYSA-N -2 3 326.308 2.824 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@H]3C2)cc1C(=O)[O-] ZINC000833028724 601223913 /nfs/dbraw/zinc/22/39/13/601223913.db2.gz PFBCIGTWNZGMFK-GRYCIOLGSA-N -2 3 327.402 2.533 20 0 EFADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000828810293 601268061 /nfs/dbraw/zinc/26/80/61/601268061.db2.gz HUPCHTOCRMEYSG-UHFFFAOYSA-N -2 3 337.800 2.791 20 0 EFADHL CC(C)C[C@H](NC(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC000826800296 601334930 /nfs/dbraw/zinc/33/49/30/601334930.db2.gz JBVCWVWLZYNVEZ-JTQLQIEISA-N -2 3 345.193 2.776 20 0 EFADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000324767722 601359698 /nfs/dbraw/zinc/35/96/98/601359698.db2.gz BORHEEBOBNAJSH-XGICHPGQSA-N -2 3 346.408 2.651 20 0 EFADHL CN(C)c1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000324767721 601359814 /nfs/dbraw/zinc/35/98/14/601359814.db2.gz BORHEEBOBNAJSH-LFYBBSHMSA-N -2 3 346.408 2.651 20 0 EFADHL CCc1[nH]c(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)c(C)c1C(=O)[O-] ZINC000830202819 602144069 /nfs/dbraw/zinc/14/40/69/602144069.db2.gz RTYBGJXMVLXKRU-UHFFFAOYSA-N -2 3 343.343 2.523 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(NC(=O)[O-])cc1 ZINC000829777628 603487413 /nfs/dbraw/zinc/48/74/13/603487413.db2.gz ILPCBTHWVSBAEL-UHFFFAOYSA-N -2 3 334.357 2.555 20 0 EFADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2ccc([O-])c(F)c2)C1 ZINC000833418066 604986666 /nfs/dbraw/zinc/98/66/66/604986666.db2.gz XLAZUHWVKIRFSJ-LBPRGKRZSA-N -2 3 338.379 2.564 20 0 EFADHL CC(C)CC1(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CCCC1 ZINC000833480940 605046021 /nfs/dbraw/zinc/04/60/21/605046021.db2.gz RWADEDNKTNYFCK-UHFFFAOYSA-N -2 3 346.474 2.726 20 0 EFADHL Cc1c(C(=O)[O-])csc1[N-]S(=O)(=O)CCc1ccccc1 ZINC000833741215 605126520 /nfs/dbraw/zinc/12/65/20/605126520.db2.gz BXBPRKYCZOKBBD-UHFFFAOYSA-N -2 3 325.411 2.739 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@]2(C)CCCC[C@@H]2C(=O)[O-])cc1F ZINC000833744802 605245971 /nfs/dbraw/zinc/24/59/71/605245971.db2.gz PKNJTGZUNAYPGU-MEBBXXQBSA-N -2 3 347.383 2.585 20 0 EFADHL O=C([O-])CCCCCCNC(=O)c1cc([O-])cc(Br)c1 ZINC000700708789 1269442040 /nfs/dbraw/zinc/44/20/40/1269442040.db2.gz HDXBANQVEZETEB-UHFFFAOYSA-N -2 3 344.205 2.920 20 0 EFADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)Cc1cc(F)cc(F)c1 ZINC001185134982 1290601957 /nfs/dbraw/zinc/60/19/57/1290601957.db2.gz HETGITIEUGQNCZ-UHFFFAOYSA-N -2 3 341.335 2.815 20 0 EFADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc2n[nH]cc2c1 ZINC001185944279 1290787732 /nfs/dbraw/zinc/78/77/32/1290787732.db2.gz RIXHBWWCQUPXEP-UHFFFAOYSA-N -2 3 346.393 2.679 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(Cl)ncc2F)ccc1F ZINC001186144224 1290875437 /nfs/dbraw/zinc/87/54/37/1290875437.db2.gz ZVAYPCBHRZUCPX-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL O=S(=O)(CC1CC1)[N-]c1c(Cl)ccc(Br)c1[O-] ZINC001188976184 1291514447 /nfs/dbraw/zinc/51/44/47/1291514447.db2.gz BXLTZDJWHABWSG-UHFFFAOYSA-N -2 3 340.626 2.960 20 0 EFADHL CC(=O)c1cccc([N-]S(=O)(=O)Cc2ccc(F)c(F)c2)c1[O-] ZINC001189317882 1291670602 /nfs/dbraw/zinc/67/06/02/1291670602.db2.gz NJKUDSQWVSTAHG-UHFFFAOYSA-N -2 3 341.335 2.815 20 0 EFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccccc2C2CC2)cc1 ZINC001192677775 1292980699 /nfs/dbraw/zinc/98/06/99/1292980699.db2.gz NKTBKCYRQIHPLN-UHFFFAOYSA-N -2 3 347.392 2.828 20 0 EFADHL CSc1nnc([N-]C(=O)c2c(F)ccc(F)c2[O-])c(SC)n1 ZINC001192694578 1292993955 /nfs/dbraw/zinc/99/39/55/1292993955.db2.gz JMEFPWYIKVGVIL-UHFFFAOYSA-N -2 3 344.368 2.552 20 0 EFADHL CCCc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001192727276 1293002228 /nfs/dbraw/zinc/00/22/28/1293002228.db2.gz SRCONIZRKSUPQB-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL Cc1ccc(-c2cc(C(=O)NCCCCP(=O)([O-])[O-])c[nH]2)cc1 ZINC001193780689 1293428968 /nfs/dbraw/zinc/42/89/68/1293428968.db2.gz APDWHOYXRZLNFW-UHFFFAOYSA-N -2 3 336.328 2.678 20 0 EFADHL O=c1nc2cn[n-]c2c(O[C@@H](COc2ccccc2)c2ccccc2)[n-]1 ZINC001233939084 1313021933 /nfs/dbraw/zinc/02/19/33/1313021933.db2.gz HHQVKHHSQWBJJT-INIZCTEOSA-N -2 3 348.362 2.845 20 0 EFADHL Cc1cc(COc2[n-]c(=O)nc3cn[n-]c32)cc(C)c1OC(C)C ZINC001233943292 1313022803 /nfs/dbraw/zinc/02/28/03/1313022803.db2.gz HZGWOFNRRARQML-UHFFFAOYSA-N -2 3 328.372 2.629 20 0 EFADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccc(OC(F)(F)F)c1 ZINC001233944171 1313023048 /nfs/dbraw/zinc/02/30/48/1313023048.db2.gz MFAITIFHASYKBJ-SSDOTTSWSA-N -2 3 340.261 2.685 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc(C(=O)[O-])c1F ZINC000132998138 1293741167 /nfs/dbraw/zinc/74/11/67/1293741167.db2.gz ZUJTZFAZLFIBHZ-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL C[Si](C)(C)CCS(=O)(=O)[N-]c1cc2ccc([O-])cc2oc1=O ZINC001195041699 1293782001 /nfs/dbraw/zinc/78/20/01/1293782001.db2.gz JGXDKNMDSZBBFC-UHFFFAOYSA-N -2 3 341.461 2.579 20 0 EFADHL CC1(C)CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001195257226 1293864015 /nfs/dbraw/zinc/86/40/15/1293864015.db2.gz CWMSWSUQGZVSCM-UHFFFAOYSA-N -2 3 347.383 2.910 20 0 EFADHL CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195264066 1293866975 /nfs/dbraw/zinc/86/69/75/1293866975.db2.gz QCIKNTVEFRYWJQ-CYBMUJFWSA-N -2 3 347.383 2.910 20 0 EFADHL CC(C)(CC1CCC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195263888 1293867092 /nfs/dbraw/zinc/86/70/92/1293867092.db2.gz NIBOFFAKFGGOAK-UHFFFAOYSA-N -2 3 347.383 2.910 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnc(Cl)cc2C)c1 ZINC000775676863 1294102118 /nfs/dbraw/zinc/10/21/18/1294102118.db2.gz NQNMZBSDYZTKAT-UHFFFAOYSA-N -2 3 328.777 2.558 20 0 EFADHL COc1ccc(F)c(S(=O)(=O)[N-]c2cc([O-])c(F)cc2F)c1 ZINC001196760850 1294347780 /nfs/dbraw/zinc/34/77/80/1294347780.db2.gz GGCICLGCYWCXRP-UHFFFAOYSA-N -2 3 333.287 2.619 20 0 EFADHL O=S(=O)(Cc1cccnc1)[N-]c1c([O-])cccc1C(F)(F)F ZINC001197465079 1294556119 /nfs/dbraw/zinc/55/61/19/1294556119.db2.gz USXQRMNHYZLDRG-UHFFFAOYSA-N -2 3 332.303 2.748 20 0 EFADHL O=S(=O)(Cc1ccccn1)[N-]c1c([O-])cccc1C(F)(F)F ZINC001197828952 1294756739 /nfs/dbraw/zinc/75/67/39/1294756739.db2.gz KGCADVOFOAMCQU-UHFFFAOYSA-N -2 3 332.303 2.748 20 0 EFADHL COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cccc([O-])c1Cl ZINC001198702478 1295187656 /nfs/dbraw/zinc/18/76/56/1295187656.db2.gz VOZPOCKGHHUWOP-UHFFFAOYSA-N -2 3 349.195 2.903 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)nc1Cl ZINC001198738963 1295214586 /nfs/dbraw/zinc/21/45/86/1295214586.db2.gz JCGZGLZDRKNREK-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)Nc1cccc([O-])c1Cl ZINC001198783184 1295228295 /nfs/dbraw/zinc/22/82/95/1295228295.db2.gz XLDYILGBECXCCI-UHFFFAOYSA-N -2 3 327.745 2.545 20 0 EFADHL O=S(=O)([N-]c1ccccn1)c1ccc(-c2ccccc2[O-])nc1 ZINC001241008691 1314091933 /nfs/dbraw/zinc/09/19/33/1314091933.db2.gz JTFSLXVYBQMRRN-UHFFFAOYSA-N -2 3 327.365 2.650 20 0 EFADHL CCOc1ccc(C(=O)[O-])cc1-c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001244419601 1314378580 /nfs/dbraw/zinc/37/85/80/1314378580.db2.gz KJKQPLHOEYEIOF-UHFFFAOYSA-N -2 3 328.303 2.770 20 0 EFADHL CCOc1ccc(C(=O)[O-])cc1-c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001244419601 1314378583 /nfs/dbraw/zinc/37/85/83/1314378583.db2.gz KJKQPLHOEYEIOF-UHFFFAOYSA-N -2 3 328.303 2.770 20 0 EFADHL CC1(C)CCC[C@@H](CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)O1 ZINC000901654844 1310829712 /nfs/dbraw/zinc/82/97/12/1310829712.db2.gz ZPPMLSYJOJMOCV-NSHDSACASA-N -2 3 345.392 2.613 20 0 EFADHL CCCCOC[C@@H](C)OC[C@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019468 1311465027 /nfs/dbraw/zinc/46/50/27/1311465027.db2.gz WZFQPKMMROJPDI-KGLIPLIRSA-N -2 3 326.370 2.571 20 0 EFADHL CC(C)CCOC(=O)[C@H](OCCP(=O)([O-])[O-])c1ccccc1 ZINC001224605866 1311412617 /nfs/dbraw/zinc/41/26/17/1311412617.db2.gz KTDNZOHNGUZVPA-CQSZACIVSA-N -2 3 330.317 2.511 20 0 EFADHL C[C@@H](COc1ccccc1)OCCCOCCCCP(=O)([O-])[O-] ZINC001225018889 1311464989 /nfs/dbraw/zinc/46/49/89/1311464989.db2.gz KYDQYJAQJSXSCD-HNNXBMFYSA-N -2 3 346.360 2.835 20 0 EFADHL CCCCOC[C@@H](C)OC[C@@H](C)OCCCCP(=O)([O-])[O-] ZINC001225019470 1311465143 /nfs/dbraw/zinc/46/51/43/1311465143.db2.gz WZFQPKMMROJPDI-ZIAGYGMSSA-N -2 3 326.370 2.571 20 0 EFADHL CCOC(=O)C[C@H](Oc1nc2ncnc-2c([S-])[n-]1)c1ccccc1 ZINC001226780799 1311722182 /nfs/dbraw/zinc/72/21/82/1311722182.db2.gz VBSFEWDZQIXODC-NSHDSACASA-N -2 3 344.396 2.715 20 0 EFADHL [S-]c1[n-]c(O[C@H]2C[C@H](OCc3ccccc3)C2)nc2ncnc1-2 ZINC001226782636 1311722882 /nfs/dbraw/zinc/72/28/82/1311722882.db2.gz SGCXKHUFEFGXMW-HAQNSBGRSA-N -2 3 328.397 2.768 20 0 EFADHL O=c1nc2nc(Br)[n-]c2c(OC2CCC(F)(F)CC2)[n-]1 ZINC001227593576 1311825779 /nfs/dbraw/zinc/82/57/79/1311825779.db2.gz DPKBJCYQHJFUSQ-UHFFFAOYSA-N -2 3 349.135 2.778 20 0 EFADHL CO[C@H](C)CCOc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121183 1311902621 /nfs/dbraw/zinc/90/26/21/1311902621.db2.gz AMCFJOMICJDZSA-LLVKDONJSA-N -2 3 332.352 2.838 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@@H]1CCCOC1 ZINC001228119794 1311903066 /nfs/dbraw/zinc/90/30/66/1311903066.db2.gz LZBRXFWCVOXBST-CYBMUJFWSA-N -2 3 330.336 2.592 20 0 EFADHL [NH3+]Cc1ccc(S(=O)(=O)[N-]c2cc([S-])cc([S-])c2)cc1 ZINC001161751959 1311965266 /nfs/dbraw/zinc/96/52/66/1311965266.db2.gz NPRZPSDMISBERO-UHFFFAOYSA-N -2 3 326.468 2.524 20 0 EFADHL CN1CC(Oc2c(=O)c3c([O-])cc([O-])cc3oc2-c2ccccc2)C1 ZINC001229771897 1312136581 /nfs/dbraw/zinc/13/65/81/1312136581.db2.gz UHDUDHTYLOCGHK-UHFFFAOYSA-N -2 3 339.347 2.564 20 0 EFADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC001211481526 1314507468 /nfs/dbraw/zinc/50/74/68/1314507468.db2.gz IUNKNVWMHHLCNO-UHFFFAOYSA-N -2 3 344.205 2.746 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c([O-])c2F)cc1N ZINC001214799374 1314738922 /nfs/dbraw/zinc/73/89/22/1314738922.db2.gz UPSVRSCNTKMYRU-UHFFFAOYSA-N -2 3 330.768 2.876 20 0 EFADHL O=C([O-])c1cc(Nc2ncc(Br)cc2[O-])cnc1F ZINC001215099607 1314781274 /nfs/dbraw/zinc/78/12/74/1314781274.db2.gz HOJHNFDWEQCJJH-UHFFFAOYSA-N -2 3 328.097 2.526 20 0 EFADHL CSc1ccccc1[N-]C(=S)Nc1[nH]c(=O)[n-]c(=O)c1N=O ZINC001249688915 1315123513 /nfs/dbraw/zinc/12/35/13/1315123513.db2.gz NADSEXYCIQVGCF-UHFFFAOYSA-N -2 3 337.386 2.817 20 0 EFADHL CSc1ccccc1[N-]C(=S)NCCCCP(=O)([O-])[O-] ZINC001249712528 1315126336 /nfs/dbraw/zinc/12/63/36/1315126336.db2.gz CHUONBVADDHJHO-UHFFFAOYSA-N -3 3 334.403 2.653 20 0 EFADHL CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cncc([O-])c1 ZINC001318408076 1328578579 /nfs/dbraw/zinc/57/85/79/1328578579.db2.gz AHHBPGADAWCCTE-UHFFFAOYSA-N -2 3 344.396 2.550 20 0 EFADHL Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1cc([O-])cc(Cl)c1 ZINC001258432237 1316150949 /nfs/dbraw/zinc/15/09/49/1316150949.db2.gz XADGXAQPHZLDMT-UHFFFAOYSA-N -2 3 336.200 2.542 20 0 EFADHL COc1cc(C)ccc1S(=O)(=O)[N-]c1ncc([O-])cc1Cl ZINC001259198383 1316218927 /nfs/dbraw/zinc/21/89/27/1316218927.db2.gz MFQXMFLLMCTAFB-UHFFFAOYSA-N -2 3 328.777 2.558 20 0 EFADHL CCC(CC)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259212664 1316221496 /nfs/dbraw/zinc/22/14/96/1316221496.db2.gz MUAXNGMTLCBIEO-UHFFFAOYSA-N -2 3 337.800 2.892 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC23CCCC3)c(F)cc1Cl ZINC001259224470 1316221993 /nfs/dbraw/zinc/22/19/93/1316221993.db2.gz IXJYTBLSNBKUPA-GFCCVEGCSA-N -2 3 347.795 2.788 20 0 EFADHL COC(=O)c1ccc([N-]S(=O)(=O)CC2CCCCC2)c([O-])c1 ZINC001259618860 1316262974 /nfs/dbraw/zinc/26/29/74/1316262974.db2.gz ZACITUJUAHKVHC-UHFFFAOYSA-N -2 3 327.402 2.501 20 0 EFADHL Cc1ccsc1S(=O)(=O)[N-]c1ncc([O-])cc1Br ZINC001260062505 1316311669 /nfs/dbraw/zinc/31/16/69/1316311669.db2.gz GKAMGYRPUFTABM-UHFFFAOYSA-N -2 3 349.231 2.720 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@@H](O)CCC3)cc1 ZINC001260228811 1316324619 /nfs/dbraw/zinc/32/46/19/1316324619.db2.gz ZREWTNOCGOSEFZ-INIZCTEOSA-N -2 3 347.392 2.555 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc(C)c1C ZINC001260399814 1316337583 /nfs/dbraw/zinc/33/75/83/1316337583.db2.gz FSFMFFGGHLDNAS-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001260457798 1316340418 /nfs/dbraw/zinc/34/04/18/1316340418.db2.gz KCRNKEBWDPMCJO-UHFFFAOYSA-N -2 3 343.202 2.659 20 0 EFADHL CC1(C)CCc2cc(S(=O)(=O)[N-]c3cncc([O-])c3)ccc2O1 ZINC001260712668 1316361410 /nfs/dbraw/zinc/36/14/10/1316361410.db2.gz JVDQVFSDDIPRIB-UHFFFAOYSA-N -2 3 334.397 2.692 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cccc(C)c1C ZINC001260998961 1316382841 /nfs/dbraw/zinc/38/28/41/1316382841.db2.gz NOGHNQPULOTHBY-UHFFFAOYSA-N -2 3 335.381 2.596 20 0 EFADHL CN(Cc1n[n-]c(=O)o1)C(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001457858674 1395369353 /nfs/dbraw/zinc/36/93/53/1395369353.db2.gz DXONLORRSDIUND-UHFFFAOYSA-N -2 3 341.323 2.545 20 0 EFADHL Cc1nc([N-]C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)sc1C ZINC000822449508 1429208448 /nfs/dbraw/zinc/20/84/48/1429208448.db2.gz BVMGMUBWBXEJRV-SECBINFHSA-N -2 3 343.416 2.823 20 0 EFADHL Cc1nc([N-]C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)sc1C ZINC000822449508 1429208451 /nfs/dbraw/zinc/20/84/51/1429208451.db2.gz BVMGMUBWBXEJRV-SECBINFHSA-N -2 3 343.416 2.823 20 0 EFADHL CCCc1csc([N-]C(=O)NCc2cccc(-c3nn[n-]n3)c2)n1 ZINC000825353608 1425133128 /nfs/dbraw/zinc/13/31/28/1425133128.db2.gz ZCZQSIMUVSAFPW-UHFFFAOYSA-N -2 3 343.416 2.597 20 0 EFADHL CCCc1csc([N-]C(=O)NCc2cccc(-c3nnn[n-]3)c2)n1 ZINC000825353608 1425133134 /nfs/dbraw/zinc/13/31/34/1425133134.db2.gz ZCZQSIMUVSAFPW-UHFFFAOYSA-N -2 3 343.416 2.597 20 0 EFADHL Cc1cc([N-]C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)sn1 ZINC000822208368 1426765075 /nfs/dbraw/zinc/76/50/75/1426765075.db2.gz OSZOFZANDUGDIJ-SECBINFHSA-N -2 3 329.389 2.514 20 0 EFADHL Cc1cc([N-]C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)sn1 ZINC000822208368 1426765079 /nfs/dbraw/zinc/76/50/79/1426765079.db2.gz OSZOFZANDUGDIJ-SECBINFHSA-N -2 3 329.389 2.514 20 0 EFADHL Cc1cc(=O)[n-]c([C@H](C)Sc2nc(C)cc(C)c2-c2nn[n-]n2)n1 ZINC000822210906 1427338801 /nfs/dbraw/zinc/33/88/01/1427338801.db2.gz WDIMFPJTCTXWQC-JTQLQIEISA-N -2 3 343.416 2.536 20 0 EFADHL Cc1cc(=O)[n-]c([C@H](C)Sc2nc(C)cc(C)c2-c2nnn[n-]2)n1 ZINC000822210906 1427338808 /nfs/dbraw/zinc/33/88/08/1427338808.db2.gz WDIMFPJTCTXWQC-JTQLQIEISA-N -2 3 343.416 2.536 20 0 EFADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)[N-]c1ncc(Cl)s1 ZINC000822935256 1429907349 /nfs/dbraw/zinc/90/73/49/1429907349.db2.gz ISPVIYKKGPCCRK-AATRIKPKSA-N -2 3 332.776 2.629 20 0 EFADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)[N-]c1ncc(Cl)s1 ZINC000822935256 1429907351 /nfs/dbraw/zinc/90/73/51/1429907351.db2.gz ISPVIYKKGPCCRK-AATRIKPKSA-N -2 3 332.776 2.629 20 0 EFADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(Cl)cc1[O-] ZINC000826401853 1441433725 /nfs/dbraw/zinc/43/37/25/1441433725.db2.gz IDGBCOUIGMGSEA-YVMONPNESA-N -2 3 341.758 2.878 20 0 EFADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(Cl)cc1[O-] ZINC000826401853 1441433727 /nfs/dbraw/zinc/43/37/27/1441433727.db2.gz IDGBCOUIGMGSEA-YVMONPNESA-N -2 3 341.758 2.878 20 0 EFADHL CCCc1cnc([N-]C(=O)NCc2cccc(-c3nnn[n-]3)c2)s1 ZINC000825348119 1441442358 /nfs/dbraw/zinc/44/23/58/1441442358.db2.gz CTBZALDVRWDSKQ-UHFFFAOYSA-N -2 3 343.416 2.597 20 0 EFADHL CCCc1cnc([N-]C(=O)NCc2cccc(-c3nn[n-]n3)c2)s1 ZINC000825348119 1441442360 /nfs/dbraw/zinc/44/23/60/1441442360.db2.gz CTBZALDVRWDSKQ-UHFFFAOYSA-N -2 3 343.416 2.597 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C)c2-c2nnn[n-]2)c(C)c1 ZINC000826292780 1441471571 /nfs/dbraw/zinc/47/15/71/1441471571.db2.gz LLPILSZRPVFQNY-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL O=C(CCc1ccc(Cl)cc1)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822978226 1443139123 /nfs/dbraw/zinc/13/91/23/1443139123.db2.gz GUTDISLBMXPMPX-UHFFFAOYSA-N -2 3 334.792 2.548 20 0 EFADHL O=C(CCc1ccc(Cl)cc1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822978226 1443139125 /nfs/dbraw/zinc/13/91/25/1443139125.db2.gz GUTDISLBMXPMPX-UHFFFAOYSA-N -2 3 334.792 2.548 20 0 EFADHL O=C(CCCc1ccc(Cl)cc1)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822958923 1443366400 /nfs/dbraw/zinc/36/64/00/1443366400.db2.gz NRJOIHIZOYZZIL-UHFFFAOYSA-N -2 3 348.819 2.938 20 0 EFADHL O=C(CCCc1ccc(Cl)cc1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822958923 1443366405 /nfs/dbraw/zinc/36/64/05/1443366405.db2.gz NRJOIHIZOYZZIL-UHFFFAOYSA-N -2 3 348.819 2.938 20 0 EFADHL Cc1cccc(CSCC(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000822303805 1446681284 /nfs/dbraw/zinc/68/12/84/1446681284.db2.gz JVAGTPALVBTXEO-UHFFFAOYSA-N -2 3 346.441 2.504 20 0 EFADHL COCc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000326462750 714951005 /nfs/dbraw/zinc/95/10/05/714951005.db2.gz BNRCPRDTGNUYCA-UHFFFAOYSA-N -2 3 349.408 2.949 20 0 EFADHL C[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000235458300 717799341 /nfs/dbraw/zinc/79/93/41/717799341.db2.gz ICGUXDMHRHMDNQ-ZCFIWIBFSA-N -2 3 345.726 2.657 20 0 EFADHL CC(C)(CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000906943645 726827297 /nfs/dbraw/zinc/82/72/97/726827297.db2.gz BWIVZUOQVZZONB-UHFFFAOYSA-N -2 3 343.298 2.533 20 0 EFADHL CC(C)(C)[C@H](CC(=O)[O-])NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000908032435 727082262 /nfs/dbraw/zinc/08/22/62/727082262.db2.gz DUAPDEHMQVSERN-AWEZNQCLSA-N -2 3 325.380 2.860 20 0 EFADHL C[C@@](NC(=O)CCCc1ccc([O-])c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000908933699 727287641 /nfs/dbraw/zinc/28/76/41/727287641.db2.gz RFONTAQXAXIMTA-IBGZPJMESA-N -2 3 345.370 2.970 20 0 EFADHL CC(C)[C@@]1(C(=O)[O-])CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000909699174 727363941 /nfs/dbraw/zinc/36/39/41/727363941.db2.gz DLPMTYLFAKSUBW-GOSISDBHSA-N -2 3 337.391 2.813 20 0 EFADHL CC(C)(C)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909874946 727391231 /nfs/dbraw/zinc/39/12/31/727391231.db2.gz UPXDTSKGWAPAHS-ZDUSSCGKSA-N -2 3 325.380 2.860 20 0 EFADHL Cc1nc(N2CCC(C(=O)c3ccc([O-])cc3)CC2)ccc1C(=O)[O-] ZINC000910287253 727427977 /nfs/dbraw/zinc/42/79/77/727427977.db2.gz IKPOSWCIMOHEEK-UHFFFAOYSA-N -2 3 340.379 2.893 20 0 EFADHL O=C([O-])[C@]12CCC[C@H]1N(C(=O)CCCc1ccc([O-])c(F)c1)CC2 ZINC000910396773 727438730 /nfs/dbraw/zinc/43/87/30/727438730.db2.gz RQUMFDSXSCREOG-QAPCUYQASA-N -2 3 335.375 2.710 20 0 EFADHL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)c1cc([O-])c3ccccc3c1)C2 ZINC000910422855 727439849 /nfs/dbraw/zinc/43/98/49/727439849.db2.gz XUZCHNOECCTPHF-LIRRHRJNSA-N -2 3 325.364 2.872 20 0 EFADHL Cc1sc(NC(=O)CCCc2ccc([O-])c(F)c2)nc1C(=O)[O-] ZINC000910785288 727463585 /nfs/dbraw/zinc/46/35/85/727463585.db2.gz AGYTWDJTYJQNJS-UHFFFAOYSA-N -2 3 338.360 2.956 20 0 EFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc([O-])c(Cl)c1 ZINC000225614031 728174782 /nfs/dbraw/zinc/17/47/82/728174782.db2.gz LWMBLEPTKCTGJW-UHFFFAOYSA-N -3 3 347.801 2.915 20 0 EFADHL O=C(Nc1cc(Cl)ccc1[O-])c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000063811435 728647735 /nfs/dbraw/zinc/64/77/35/728647735.db2.gz JKBJGWHUHYEJMJ-UHFFFAOYSA-N -2 3 347.783 2.823 20 0 EFADHL O=C([O-])C1(NC(=O)c2cc([O-])cc(Br)c2)CCCCC1 ZINC000700689052 939055190 /nfs/dbraw/zinc/05/51/90/939055190.db2.gz KETFNOBUQDWGJC-UHFFFAOYSA-N -2 3 342.189 2.672 20 0 EFADHL COc1cc(NC(=O)c2ccc(C)cc2[O-])c(C(=O)[O-])cc1OC ZINC000323939885 971062941 /nfs/dbraw/zinc/06/29/41/971062941.db2.gz AGZVHNIXNVLFMB-UHFFFAOYSA-N -2 3 331.324 2.668 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)cc1Cl ZINC000826292951 947851581 /nfs/dbraw/zinc/85/15/81/947851581.db2.gz UOIOGEIZYITHSC-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001573729710 948572066 /nfs/dbraw/zinc/57/20/66/948572066.db2.gz JHPBEDYWIUOLDR-SNVBAGLBSA-N -2 3 343.774 2.734 20 0 EFADHL C[C@@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001573729710 948572072 /nfs/dbraw/zinc/57/20/72/948572072.db2.gz JHPBEDYWIUOLDR-SNVBAGLBSA-N -2 3 343.774 2.734 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)C2(C(=O)[O-])CCCCC2)c([O-])c1 ZINC001591176435 951086690 /nfs/dbraw/zinc/08/66/90/951086690.db2.gz OCIFJKVAJGBAON-UHFFFAOYSA-N -2 3 335.356 2.543 20 0 EFADHL CCOc1cc(C(=O)[N-]c2sc3c(c2C(=O)[O-])CCCC3)on1 ZINC001592094296 951297387 /nfs/dbraw/zinc/29/73/87/951297387.db2.gz LHDPXRDMHURCJJ-UHFFFAOYSA-N -2 3 336.369 2.964 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2cc3c(cc2[O-])CCCC3)ccc1O ZINC001595210510 952362342 /nfs/dbraw/zinc/36/23/42/952362342.db2.gz WPEUXTRBMBJLQH-UHFFFAOYSA-N -2 3 327.336 2.927 20 0 EFADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC001594802915 953756872 /nfs/dbraw/zinc/75/68/72/953756872.db2.gz KBXPVCQTQRCOQP-JGVFFNPUSA-N -2 3 328.162 2.594 20 0 EFADHL C[C@@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000384779068 971957056 /nfs/dbraw/zinc/95/70/56/971957056.db2.gz VWAUIMCQPWMUJQ-QMMMGPOBSA-N -2 3 335.372 2.766 20 0 EFADHL CC[C@H](C(=O)[O-])N1C[C@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001589445552 954755430 /nfs/dbraw/zinc/75/54/30/954755430.db2.gz SPCJKMHOBMDKPJ-CMPLNLGQSA-N -2 3 344.333 2.522 20 0 EFADHL O=C([O-])c1ccc(NC(=O)c2cc([O-])cc(Br)c2)nc1 ZINC000700687466 954870305 /nfs/dbraw/zinc/87/03/05/954870305.db2.gz CYVRYXLKIZJXJK-UHFFFAOYSA-N -2 3 337.129 2.500 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c1F ZINC000386918395 972090471 /nfs/dbraw/zinc/09/04/71/972090471.db2.gz OWPHEXZEGYCHFZ-LLVKDONJSA-N -2 3 345.367 2.664 20 0 EFADHL C[C@](NCc1nnc(-c2ccccc2[O-])o1)(C(=O)[O-])c1ccccc1 ZINC001589132653 956218392 /nfs/dbraw/zinc/21/83/92/956218392.db2.gz WBOQTYVQUFQKNK-GOSISDBHSA-N -2 3 339.351 2.532 20 0 EFADHL CC(C)CCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000038093491 957356457 /nfs/dbraw/zinc/35/64/57/957356457.db2.gz QBLIHHBIGGMUOZ-UHFFFAOYSA-N -2 3 337.800 2.892 20 0 EFADHL CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000049094298 957473910 /nfs/dbraw/zinc/47/39/10/957473910.db2.gz WVGCPLYPAYBOIA-SFYZADRCSA-N -2 3 337.800 2.890 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]Cc2ccsc2)c1F ZINC000063153087 957637276 /nfs/dbraw/zinc/63/72/76/957637276.db2.gz SWRCDCUDWSGQKQ-UHFFFAOYSA-N -2 3 349.792 2.717 20 0 EFADHL C[C@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC[C@@H]1C(=O)[O-] ZINC001331755340 957731829 /nfs/dbraw/zinc/73/18/29/957731829.db2.gz NRZPUWQPDYNRQE-QWRGUYRKSA-N -2 3 341.367 2.624 20 0 EFADHL O=C([O-])[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000085325614 957893175 /nfs/dbraw/zinc/89/31/75/957893175.db2.gz XDNHWSQPWDOQGX-OIBJUYFYSA-N -2 3 338.212 2.525 20 0 EFADHL Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000088188855 958046864 /nfs/dbraw/zinc/04/68/64/958046864.db2.gz IEBCJRHMQIRVJL-UHFFFAOYSA-N -2 3 332.790 2.604 20 0 EFADHL CC[C@@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000094221068 958267199 /nfs/dbraw/zinc/26/71/99/958267199.db2.gz LXIHSWIGQWZUDG-LLVKDONJSA-N -2 3 326.201 2.525 20 0 EFADHL CC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000094220889 958267348 /nfs/dbraw/zinc/26/73/48/958267348.db2.gz ICTMWERMWSQYSJ-NSHDSACASA-N -2 3 326.201 2.525 20 0 EFADHL Cc1ccc(CSc2nc(NC(=O)CCCCC(=O)[O-])n[n-]2)cc1 ZINC001594362790 958465858 /nfs/dbraw/zinc/46/58/58/958465858.db2.gz MCJUMJAVOWRYTD-UHFFFAOYSA-N -2 3 348.428 2.989 20 0 EFADHL CC(=O)c1ccc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)cc1[O-] ZINC001588528153 958880700 /nfs/dbraw/zinc/88/07/00/958880700.db2.gz BAFSRKNCFGIQHM-OAHLLOKOSA-N -2 3 339.347 2.814 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CCC1 ZINC000137666271 958937841 /nfs/dbraw/zinc/93/78/41/958937841.db2.gz LWMXSEAUNLRJJP-SSDOTTSWSA-N -2 3 335.784 2.644 20 0 EFADHL CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC001588634457 959638284 /nfs/dbraw/zinc/63/82/84/959638284.db2.gz QDGYDDQGEQFZHY-JTQLQIEISA-N -2 3 330.178 2.840 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001574257792 960549009 /nfs/dbraw/zinc/54/90/09/960549009.db2.gz QCEAGCSZLXVPLG-AWEZNQCLSA-N -2 3 335.356 2.809 20 0 EFADHL CC(C)([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC1 ZINC001259221833 960685019 /nfs/dbraw/zinc/68/50/19/960685019.db2.gz WDOPWMJALVRRKB-UHFFFAOYSA-N -2 3 335.784 2.644 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)ccc1O ZINC001260399238 960720657 /nfs/dbraw/zinc/72/06/57/960720657.db2.gz CZWGBYDRAQVLFB-UHFFFAOYSA-N -2 3 333.365 2.769 20 0 EFADHL Cc1cccnc1C(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574408465 961270856 /nfs/dbraw/zinc/27/08/56/961270856.db2.gz ZJEUVHTXTZUTJW-LBPRGKRZSA-N -2 3 338.285 2.563 20 0 EFADHL CCc1cccc(C(=O)N[C@H]2C[C@H](C(=O)[O-])c3ccccc32)c1[O-] ZINC001573960341 961682317 /nfs/dbraw/zinc/68/23/17/961682317.db2.gz DBOLWVHQRUHXEG-HOTGVXAUSA-N -2 3 325.364 2.998 20 0 EFADHL O=C([O-])[C@H](CCF)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001571207731 962416813 /nfs/dbraw/zinc/41/68/13/962416813.db2.gz BUHZXDHATXXDLW-AWEZNQCLSA-N -2 3 333.315 2.727 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C1CCCCC1 ZINC000314581145 963771566 /nfs/dbraw/zinc/77/15/66/963771566.db2.gz PKJZBUUJAWXJJJ-ZDUSSCGKSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1cccc2ccccc21 ZINC000315947102 963957441 /nfs/dbraw/zinc/95/74/41/963957441.db2.gz JSJQWTTYICYPSQ-SNVBAGLBSA-N -2 3 346.364 2.566 20 0 EFADHL CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000316966961 964082277 /nfs/dbraw/zinc/08/22/77/964082277.db2.gz ZFUPGWGNXFBZMS-UWVGGRQHSA-N -2 3 346.474 2.725 20 0 EFADHL O=C([O-])[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)Cc2ccccc21 ZINC000323870954 968027214 /nfs/dbraw/zinc/02/72/14/968027214.db2.gz RYLZAVIMPXCQKT-CQSZACIVSA-N -2 3 331.755 2.870 20 0 EFADHL C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000318225593 970419313 /nfs/dbraw/zinc/41/93/13/970419313.db2.gz IWZAVVGGVVPPMV-DTWKUNHWSA-N -2 3 349.811 2.892 20 0 EFADHL CC(C)C1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CC1 ZINC000318527420 970442180 /nfs/dbraw/zinc/44/21/80/970442180.db2.gz HMOQBKHEXYBJQD-UHFFFAOYSA-N -2 3 349.811 2.892 20 0 EFADHL Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000318971862 970493278 /nfs/dbraw/zinc/49/32/78/970493278.db2.gz CAAMUKCLFWIULT-UHFFFAOYSA-N -2 3 340.788 2.851 20 0 EFADHL C[C@@]1([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CC=CCC1 ZINC000398366292 973127042 /nfs/dbraw/zinc/12/70/42/973127042.db2.gz HMMKPGJHUMXEMX-CQSZACIVSA-N -2 3 347.795 2.954 20 0 EFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000400436970 973278692 /nfs/dbraw/zinc/27/86/92/973278692.db2.gz DGTBAEHMZNYMMB-KWQFWETISA-N -2 3 337.800 2.647 20 0 EFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000400436971 973278983 /nfs/dbraw/zinc/27/89/83/973278983.db2.gz DGTBAEHMZNYMMB-LDYMZIIASA-N -2 3 337.800 2.647 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2cc(Cc3ccccc3)ccc2[O-])[nH]n1 ZINC001606465922 973936324 /nfs/dbraw/zinc/93/63/24/973936324.db2.gz GVAMUDBEWFZXLC-UHFFFAOYSA-N -2 3 337.335 2.657 20 0 EFADHL CCCCOc1ccc(C(=O)N2CCC(C)(C(=O)[O-])CC2)c([O-])c1 ZINC001603648166 974008356 /nfs/dbraw/zinc/00/83/56/974008356.db2.gz CICVQSMFNZWXPR-UHFFFAOYSA-N -2 3 335.400 2.898 20 0 EFADHL CCCCOc1ccc(C(=O)N2CC[C@H](C)[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001603649506 974013599 /nfs/dbraw/zinc/01/35/99/974013599.db2.gz ZXAZSBQEEPVIAY-WFASDCNBSA-N -2 3 335.400 2.754 20 0 EFADHL CC(C)(C)C[C@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700768699 976971663 /nfs/dbraw/zinc/97/16/63/976971663.db2.gz XNHMPZJIWQKMGI-NSHDSACASA-N -2 3 344.205 2.774 20 0 EFADHL C[C@@H](/C=C/C(=O)[O-])NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001592204705 977235195 /nfs/dbraw/zinc/23/51/95/977235195.db2.gz MFVRQKAKMOYAJI-PMDBQALLSA-N -2 3 327.336 2.944 20 0 EFADHL C[C@@H](CC(=O)[O-])CC(=O)[N-]OCc1ccc(F)cc1Br ZINC001592391433 977937763 /nfs/dbraw/zinc/93/77/63/977937763.db2.gz KXJPZMVXDWHZRI-MRVPVSSYSA-N -2 3 348.168 2.637 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000788091040 978796789 /nfs/dbraw/zinc/79/67/89/978796789.db2.gz YZNHNEIOFCYEGZ-UHFFFAOYSA-N -2 3 337.335 2.903 20 0 EFADHL C[C@@H](Cc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1)C(=O)[O-] ZINC001592872120 979727096 /nfs/dbraw/zinc/72/70/96/979727096.db2.gz CVDUCWBVIDOPTH-JTQLQIEISA-N -2 3 341.367 2.575 20 0 EFADHL C[C@H](F)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001592950937 980034191 /nfs/dbraw/zinc/03/41/91/980034191.db2.gz WMTUFFWXCGFCMX-LURJTMIESA-N -2 3 344.191 2.718 20 0 EFADHL C[C@@H](F)CC[N-]S(=O)(=O)c1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001592950938 980034247 /nfs/dbraw/zinc/03/42/47/980034247.db2.gz WMTUFFWXCGFCMX-ZCFIWIBFSA-N -2 3 344.191 2.718 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CCC2(c3ccccc3)CC2)oc1C(=O)[O-] ZINC000903042477 980956549 /nfs/dbraw/zinc/95/65/49/980956549.db2.gz WXHGASGIGUATQY-UHFFFAOYSA-N -2 3 349.408 2.686 20 0 EFADHL CC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595444636 981089440 /nfs/dbraw/zinc/08/94/40/981089440.db2.gz SNZHZGPIYNTYNT-RYUDHWBXSA-N -2 3 329.418 2.781 20 0 EFADHL CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001595593831 981559014 /nfs/dbraw/zinc/55/90/14/981559014.db2.gz HOFFRMGLAFDGNZ-CYBMUJFWSA-N -2 3 337.397 2.668 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)CC2(CC(=O)[O-])CCCC2)c([O-])c1 ZINC001596723546 984970560 /nfs/dbraw/zinc/97/05/60/984970560.db2.gz IBIUIMSEHWHHPG-UHFFFAOYSA-N -2 3 349.383 2.933 20 0 EFADHL Cc1n[n-]cc1C(=O)O[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC001599969406 985977590 /nfs/dbraw/zinc/97/75/90/985977590.db2.gz UYNWSOAWESKTSO-LBPRGKRZSA-N -2 3 342.273 2.590 20 0 EFADHL CCOc1cc(CN2CCC[C@@]2(COC)C(=O)[O-])cc(Cl)c1[O-] ZINC001597033009 986458900 /nfs/dbraw/zinc/45/89/00/986458900.db2.gz WXCPJQNPTONLDV-MRXNPFEDSA-N -2 3 343.807 2.510 20 0 EFADHL C[C@@H](C(=O)[O-])N(C(=O)c1cc([O-])cc(Br)c1)C1CCC1 ZINC001589477746 986987165 /nfs/dbraw/zinc/98/71/65/986987165.db2.gz TZUNUNSMORJOCW-QMMMGPOBSA-N -2 3 342.189 2.623 20 0 EFADHL C[C@@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC001589540242 987241665 /nfs/dbraw/zinc/24/16/65/987241665.db2.gz SPQMDBSBJMJZCS-LLVKDONJSA-N -2 3 347.392 2.610 20 0 EFADHL CCc1ccc(C(=O)NCc2ccc(C(=O)[O-])c(OC)c2)c([O-])c1 ZINC001597500900 988060608 /nfs/dbraw/zinc/06/06/08/988060608.db2.gz BYMXHLNWPXFRHY-UHFFFAOYSA-N -2 3 329.352 2.591 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)c1 ZINC001597555669 988281933 /nfs/dbraw/zinc/28/19/33/988281933.db2.gz AOZHVXQWPCXCCC-MRXNPFEDSA-N -2 3 345.326 2.586 20 0 EFADHL CSc1cc(F)ccc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001599809183 988303907 /nfs/dbraw/zinc/30/39/07/988303907.db2.gz WJRRKJKQHUWYJE-UHFFFAOYSA-N -2 3 347.433 2.934 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@](C)(CC(=O)[O-])c2ccccn2)c1 ZINC001599820209 988500488 /nfs/dbraw/zinc/50/04/88/988500488.db2.gz SEPCCBBEKSJCJZ-QGZVFWFLSA-N -2 3 346.408 2.629 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1 ZINC001599598381 993780110 /nfs/dbraw/zinc/78/01/10/993780110.db2.gz LRVNHKPFKILJBK-UHFFFAOYSA-N -2 3 334.353 2.685 20 0 EFADHL COc1cccc(-c2nsc([N-]C(=O)c3cc(C(=O)[O-])co3)n2)c1 ZINC001599641955 994371925 /nfs/dbraw/zinc/37/19/25/994371925.db2.gz PJMMVWJTMXTNGM-UHFFFAOYSA-N -2 3 345.336 2.757 20 0 EFADHL C[C@@H](c1c(F)cccc1F)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593685786 996119112 /nfs/dbraw/zinc/11/91/12/996119112.db2.gz CDDDTGHMVMXSMT-MMZRQWAXSA-N -2 3 339.338 2.523 20 0 EFADHL CC1(C)CC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001593886857 996724769 /nfs/dbraw/zinc/72/47/69/996724769.db2.gz VHOIRBKOKWPSDB-LLVKDONJSA-N -2 3 335.784 2.644 20 0 EFADHL COc1cc(OC)cc([C@@H](OC(=O)c2cc3occc3[n-]2)C(=O)[O-])c1 ZINC001599453492 998147792 /nfs/dbraw/zinc/14/77/92/998147792.db2.gz VVYSEMBJFCVQEK-OAHLLOKOSA-N -2 3 345.307 2.761 20 0 EFADHL COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c1 ZINC001599581823 998545299 /nfs/dbraw/zinc/54/52/99/998545299.db2.gz PISCEKCWEDUJKM-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CC(C)=C[C@@H]1[C@@H](C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC001573942107 1087912264 /nfs/dbraw/zinc/91/22/64/1087912264.db2.gz LKABNQHETNRMSK-KGLIPLIRSA-N -2 3 327.388 2.515 20 0 EFADHL CC(C)=C[C@@H]1[C@@H](C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC001573942107 1087912281 /nfs/dbraw/zinc/91/22/81/1087912281.db2.gz LKABNQHETNRMSK-KGLIPLIRSA-N -2 3 327.388 2.515 20 0 EFADHL CC(C)=C[C@H]1[C@@H](C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC001573942105 1087912646 /nfs/dbraw/zinc/91/26/46/1087912646.db2.gz LKABNQHETNRMSK-KBPBESRZSA-N -2 3 327.388 2.515 20 0 EFADHL CC(C)=C[C@H]1[C@@H](C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC001573942105 1087912654 /nfs/dbraw/zinc/91/26/54/1087912654.db2.gz LKABNQHETNRMSK-KBPBESRZSA-N -2 3 327.388 2.515 20 0 EFADHL O=C(NCc1nc([O-])cc(=O)[n-]1)c1ccccc1Oc1ccccc1 ZINC001647868588 1089900546 /nfs/dbraw/zinc/90/05/46/1089900546.db2.gz SSPAAMBSWYIKAP-UHFFFAOYSA-N -2 3 337.335 2.610 20 0 EFADHL CC(C=C(C)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1)=Cc1ccccc1 ZINC001588771209 1092989308 /nfs/dbraw/zinc/98/93/08/1092989308.db2.gz SGERINITXZQERI-BFWCKKHCSA-N -2 3 334.383 2.765 20 0 EFADHL CC(C=C(C)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1)=Cc1ccccc1 ZINC001588771209 1092989317 /nfs/dbraw/zinc/98/93/17/1092989317.db2.gz SGERINITXZQERI-BFWCKKHCSA-N -2 3 334.383 2.765 20 0 EFADHL CC(=Cc1ccc(Cl)cc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588770947 1092989486 /nfs/dbraw/zinc/98/94/86/1092989486.db2.gz RXXWLLKXFHWNBQ-FPLPWBNLSA-N -2 3 328.763 2.885 20 0 EFADHL CC(=Cc1ccc(Cl)cc1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588770947 1092989493 /nfs/dbraw/zinc/98/94/93/1092989493.db2.gz RXXWLLKXFHWNBQ-FPLPWBNLSA-N -2 3 328.763 2.885 20 0 EFADHL CC(=Cc1cc(F)c(F)c(F)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588770039 1092989747 /nfs/dbraw/zinc/98/97/47/1092989747.db2.gz DNKNGKYBZXSHIS-ZZXKWVIFSA-N -2 3 348.288 2.649 20 0 EFADHL CC(=Cc1cc(F)c(F)c(F)c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588770039 1092989753 /nfs/dbraw/zinc/98/97/53/1092989753.db2.gz DNKNGKYBZXSHIS-ZZXKWVIFSA-N -2 3 348.288 2.649 20 0 EFADHL CC(C)(C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC001589054294 1093024259 /nfs/dbraw/zinc/02/42/59/1093024259.db2.gz BGYMKLNPGDNTKP-UHFFFAOYSA-N -2 3 329.404 2.883 20 0 EFADHL CC(C)[C@H]1CCc2[n-]n(Cc3ccc(-c4nn[n-]n4)cc3)c(=O)c2C1 ZINC001589501113 1093097345 /nfs/dbraw/zinc/09/73/45/1093097345.db2.gz BYAZLWWBYGLWBI-GJZGRUSLSA-N -2 3 338.415 2.637 20 0 EFADHL C[C@H]1CCc2[n-]n(-c3ccc(-c4nnn[n-]4)c(Cl)c3)c(=O)c2C1 ZINC001590241301 1093330334 /nfs/dbraw/zinc/33/03/34/1093330334.db2.gz VUWQCASDRDXMJW-GZMMTYOYSA-N -2 3 330.779 2.659 20 0 EFADHL C[C@H]1CCc2[n-]n(-c3ccc(-c4nn[n-]n4)c(Cl)c3)c(=O)c2C1 ZINC001590241301 1093330338 /nfs/dbraw/zinc/33/03/38/1093330338.db2.gz VUWQCASDRDXMJW-GZMMTYOYSA-N -2 3 330.779 2.659 20 0 EFADHL CCCOc1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001590647156 1093531275 /nfs/dbraw/zinc/53/12/75/1093531275.db2.gz MENPJDQKGYQCGO-UHFFFAOYSA-N -2 3 339.355 2.613 20 0 EFADHL Cc1cc(COC(=O)c2cc([S-])ccc2F)ccc1-c1nn[n-]n1 ZINC001591971326 1093940214 /nfs/dbraw/zinc/94/02/14/1093940214.db2.gz MNYHXTXUACSAIS-UHFFFAOYSA-N -2 3 344.371 2.960 20 0 EFADHL Cc1cc(Cl)c2ncc(-c3nnn[n-]3)c(NCCCC(=O)[O-])c2c1 ZINC001591974970 1093942452 /nfs/dbraw/zinc/94/24/52/1093942452.db2.gz FBPQFBLFHQPXRI-UHFFFAOYSA-N -2 3 346.778 2.653 20 0 EFADHL Cc1cc(Cl)c2ncc(-c3nn[n-]n3)c(NCCCC(=O)[O-])c2c1 ZINC001591974970 1093942455 /nfs/dbraw/zinc/94/24/55/1093942455.db2.gz FBPQFBLFHQPXRI-UHFFFAOYSA-N -2 3 346.778 2.653 20 0 EFADHL Cc1ccc(CN2CC[C@@H](C(=O)[O-])c3ccccc32)cc1-c1nn[n-]n1 ZINC001592153610 1094002726 /nfs/dbraw/zinc/00/27/26/1094002726.db2.gz HPKGAJITYPBXHK-OAHLLOKOSA-N -2 3 349.394 2.754 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nn[n-]n2)c(Cl)c1 ZINC001592195647 1094025196 /nfs/dbraw/zinc/02/51/96/1094025196.db2.gz KLHFVPIDHAAISA-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL O=C([O-])C1CCC(Nc2cccc(C(F)F)c2-c2nnn[n-]2)CC1 ZINC001593275827 1094260968 /nfs/dbraw/zinc/26/09/68/1094260968.db2.gz XWZMKKINUBHGCH-UHFFFAOYSA-N -2 3 337.330 2.860 20 0 EFADHL O=C([O-])C1CCC(Nc2cccc(C(F)F)c2-c2nn[n-]n2)CC1 ZINC001593275827 1094260974 /nfs/dbraw/zinc/26/09/74/1094260974.db2.gz XWZMKKINUBHGCH-UHFFFAOYSA-N -2 3 337.330 2.860 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2cccc(F)c2-c2nnn[n-]2)s1 ZINC001593277216 1094261823 /nfs/dbraw/zinc/26/18/23/1094261823.db2.gz UPZHFPBODKQDRY-GUBXDBFYSA-N -2 3 343.343 2.731 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2cccc(F)c2-c2nn[n-]n2)s1 ZINC001593277216 1094261829 /nfs/dbraw/zinc/26/18/29/1094261829.db2.gz UPZHFPBODKQDRY-GUBXDBFYSA-N -2 3 343.343 2.731 20 0 EFADHL O=C([O-])CC[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)c(Cl)c2)C1 ZINC001593278335 1094261968 /nfs/dbraw/zinc/26/19/68/1094261968.db2.gz ZDTKCJCQJZWKHY-JTQLQIEISA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CC[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)c(Cl)c2)C1 ZINC001593278335 1094261973 /nfs/dbraw/zinc/26/19/73/1094261973.db2.gz ZDTKCJCQJZWKHY-JTQLQIEISA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2coc3ccccc23)n1 ZINC001593283957 1094265526 /nfs/dbraw/zinc/26/55/26/1094265526.db2.gz TVKWQJRWWFHCCL-FNORWQNLSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2coc3ccccc23)n1 ZINC001593283957 1094265531 /nfs/dbraw/zinc/26/55/31/1094265531.db2.gz TVKWQJRWWFHCCL-FNORWQNLSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2sccc2Cl)n1 ZINC001593283999 1094266088 /nfs/dbraw/zinc/26/60/88/1094266088.db2.gz UZDKRSJPPRRERD-ONEGZZNKSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2sccc2Cl)n1 ZINC001593283999 1094266096 /nfs/dbraw/zinc/26/60/96/1094266096.db2.gz UZDKRSJPPRRERD-ONEGZZNKSA-N -2 3 333.760 2.845 20 0 EFADHL [O-]c1ccc(CNc2nc(-c3nnn[n-]3)c(Cl)s2)cc1Cl ZINC001593540282 1094353552 /nfs/dbraw/zinc/35/35/52/1094353552.db2.gz DOCGKOBEHIRIKI-UHFFFAOYSA-N -2 3 343.199 2.948 20 0 EFADHL Cc1cc(C(=O)[O-])c2c(=O)[n-]c(SCOC3CCCC3)nc2n1 ZINC001600108946 1094776804 /nfs/dbraw/zinc/77/68/04/1094776804.db2.gz OVVVPCZQIGPHQC-UHFFFAOYSA-N -2 3 335.385 2.746 20 0 EFADHL Cc1cc(=O)[n-]c(CSCCOc2ccc(C=CC(=O)[O-])cc2)n1 ZINC001600286168 1094946075 /nfs/dbraw/zinc/94/60/75/1094946075.db2.gz UVOVQJKSZMDZEX-DAXSKMNVSA-N -2 3 346.408 2.901 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2F)oc1C(=O)[O-] ZINC001600300530 1094952770 /nfs/dbraw/zinc/95/27/70/1094952770.db2.gz XARIVQSMSLLWEA-QMMMGPOBSA-N -2 3 345.323 2.604 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@@H]2C)oc1C(=O)[O-] ZINC001600298171 1094953044 /nfs/dbraw/zinc/95/30/44/1094953044.db2.gz AJIVLBZCWZWIPG-QWRGUYRKSA-N -2 3 329.418 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H]2C(C)(C)C)oc1C(=O)[O-] ZINC001600299341 1094953186 /nfs/dbraw/zinc/95/31/86/1094953186.db2.gz WZMFHSSEJCBQKG-MNOVXSKESA-N -2 3 329.418 2.779 20 0 EFADHL Cc1cc2n[nH]cc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC001600307182 1094959802 /nfs/dbraw/zinc/95/98/02/1094959802.db2.gz MOUQXFOCPOLZGY-UHFFFAOYSA-N -2 3 345.380 2.679 20 0 EFADHL Cc1ccc(-c2cc(C(=O)OCc3cc(C(=O)[O-])oc3C)n[n-]2)o1 ZINC001600313133 1094963216 /nfs/dbraw/zinc/96/32/16/1094963216.db2.gz OCQRMYIFMJCUSP-UHFFFAOYSA-N -2 3 330.296 2.935 20 0 EFADHL Cc1ccc(-c2cc(C(=O)OCc3cc(C(=O)[O-])oc3C)[n-]n2)o1 ZINC001600313133 1094963224 /nfs/dbraw/zinc/96/32/24/1094963224.db2.gz OCQRMYIFMJCUSP-UHFFFAOYSA-N -2 3 330.296 2.935 20 0 EFADHL Cc1ccc(C(=O)N[C@H](Cc2cc3ccccc3o2)C(=O)[O-])c([O-])c1 ZINC001600338419 1094983876 /nfs/dbraw/zinc/98/38/76/1094983876.db2.gz XAXOWXHPHIXUDI-OAHLLOKOSA-N -2 3 339.347 2.873 20 0 EFADHL Cc1ccc(C(=O)N[C@@H](Cc2cc3ccccc3o2)C(=O)[O-])c([O-])c1 ZINC001600338418 1094984501 /nfs/dbraw/zinc/98/45/01/1094984501.db2.gz XAXOWXHPHIXUDI-HNNXBMFYSA-N -2 3 339.347 2.873 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)C[C@@H](C(=O)[O-])c2ccccc2)c(F)c1 ZINC001600463727 1095086003 /nfs/dbraw/zinc/08/60/03/1095086003.db2.gz JXSXZFMOLKQBEC-CYBMUJFWSA-N -2 3 337.372 2.744 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCO3)c(C(=O)[O-])c1 ZINC001600483235 1095100649 /nfs/dbraw/zinc/10/06/49/1095100649.db2.gz PSUIDWOWZIWZIZ-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL Cc1cccc([O-])c1C(=O)Nc1nc2c(s1)CC[C@@H](C(=O)[O-])C2 ZINC001600542828 1095149123 /nfs/dbraw/zinc/14/91/23/1095149123.db2.gz RKHULLWVJHHXDW-SECBINFHSA-N -2 3 332.381 2.599 20 0 EFADHL Cc1n[n-]c(C)c1S(=O)(=O)Oc1c(C(=O)[O-])ccc2ccccc21 ZINC001600671563 1095250466 /nfs/dbraw/zinc/25/04/66/1095250466.db2.gz NMIDAFLGUNDNOE-UHFFFAOYSA-N -2 3 346.364 2.646 20 0 EFADHL Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1nnc2ccccc2c1[O-] ZINC001600876970 1095400199 /nfs/dbraw/zinc/40/01/99/1095400199.db2.gz PBZKYJQZCWRPIO-UHFFFAOYSA-N -2 3 343.364 2.964 20 0 EFADHL Cc1sc([C@H]2CCCN2C(=O)c2ccccc2[O-])nc1C(=O)[O-] ZINC001600883550 1095405820 /nfs/dbraw/zinc/40/58/20/1095405820.db2.gz SYFVETBQVCJCIU-LLVKDONJSA-N -2 3 332.381 2.833 20 0 EFADHL O=C([O-])C1(CNC(=O)c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC001601469482 1095690588 /nfs/dbraw/zinc/69/05/88/1095690588.db2.gz ARZOUGPOHKQADM-UHFFFAOYSA-N -2 3 325.364 2.578 20 0 EFADHL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc4sccc4c([O-])c3)[C@@H]2C1 ZINC001601578411 1095740409 /nfs/dbraw/zinc/74/04/09/1095740409.db2.gz LZIYFARTMBSYDP-LGOOBZPGSA-N -2 3 331.393 2.836 20 0 EFADHL O=C([O-])c1c[nH]c2cc(NC(=O)c3nnc4ccccc4c3[O-])ccc12 ZINC001601612451 1095762911 /nfs/dbraw/zinc/76/29/11/1095762911.db2.gz GRHPORACZGYXJO-UHFFFAOYSA-N -2 3 348.318 2.767 20 0 EFADHL O=C([O-])c1nsc([N-]C(=O)c2csc(C3CCCCC3)n2)n1 ZINC001601634678 1095776687 /nfs/dbraw/zinc/77/66/87/1095776687.db2.gz FKHPBQGCLLEBPK-UHFFFAOYSA-N -2 3 338.414 2.993 20 0 EFADHL O=C([O-])[C@@H](C[C@H]1CCCc2ccccc21)[N-]C(=O)C(F)(F)C(F)F ZINC001601642176 1095781842 /nfs/dbraw/zinc/78/18/42/1095781842.db2.gz OGRWZNOLDDCAPX-ZYHUDNBSSA-N -2 3 347.308 2.966 20 0 EFADHL O=C([O-])[C@H](c1ccccc1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001601695956 1095833655 /nfs/dbraw/zinc/83/36/55/1095833655.db2.gz RJQGWUUVWUMGQX-AWEZNQCLSA-N -2 3 345.786 2.855 20 0 EFADHL O=C([O-])C[C@@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccsc1 ZINC001601905978 1095969841 /nfs/dbraw/zinc/96/98/41/1095969841.db2.gz GWSMBIQJYDJTEU-CQSZACIVSA-N -2 3 348.424 2.890 20 0 EFADHL O=C([O-])C[C@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001601960632 1095994145 /nfs/dbraw/zinc/99/41/45/1095994145.db2.gz RPHONRXKYCOBGM-LBPRGKRZSA-N -2 3 329.327 2.679 20 0 EFADHL O=C([O-])CC[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cscn1 ZINC001601973169 1095999160 /nfs/dbraw/zinc/99/91/60/1095999160.db2.gz WUNDBOVLSQRFEN-LBPRGKRZSA-N -2 3 346.474 2.625 20 0 EFADHL O=C([O-])CCC1([N-]S(=O)(=O)c2cccnc2Cl)CCCCC1 ZINC001601975058 1096000901 /nfs/dbraw/zinc/00/09/01/1096000901.db2.gz SBKWVRZTFUXECD-UHFFFAOYSA-N -2 3 346.836 2.581 20 0 EFADHL O=C([O-])CCC1([N-]S(=O)(=O)c2ccc(F)cc2F)CCCCC1 ZINC001601974499 1096001662 /nfs/dbraw/zinc/00/16/62/1096001662.db2.gz FSPCXQJYBHHKDN-UHFFFAOYSA-N -2 3 347.383 2.811 20 0 EFADHL O=C([O-])CCCO[N-]C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC001601996037 1096011944 /nfs/dbraw/zinc/01/19/44/1096011944.db2.gz ZNHXRAWBQPKOJK-UHFFFAOYSA-N -2 3 335.331 2.931 20 0 EFADHL O=C([O-])CCCO[N-]C(=O)CCCc1cccc(Br)c1 ZINC001601994770 1096012012 /nfs/dbraw/zinc/01/20/12/1096012012.db2.gz GVCUBMIGFKVSNV-UHFFFAOYSA-N -2 3 344.205 2.684 20 0 EFADHL O=C([O-])CSCc1cccc(NC([O-])=NO[C@@H]2CCCCO2)c1 ZINC001602102575 1096064903 /nfs/dbraw/zinc/06/49/03/1096064903.db2.gz WGBVVOGBUOMASX-CQSZACIVSA-N -2 3 340.401 2.584 20 0 EFADHL O=C([O-])CSCc1cccc(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC001602102575 1096064915 /nfs/dbraw/zinc/06/49/15/1096064915.db2.gz WGBVVOGBUOMASX-CQSZACIVSA-N -2 3 340.401 2.584 20 0 EFADHL O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001602107428 1096066892 /nfs/dbraw/zinc/06/68/92/1096066892.db2.gz BMEIMMQGEQXCKJ-TVQRCGJNSA-N -2 3 348.786 2.555 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@]23C[C@H]2CCCC3)c1F ZINC001602267186 1096149868 /nfs/dbraw/zinc/14/98/68/1096149868.db2.gz XQOSBAZSTNPEJZ-XLKFXECMSA-N -2 3 347.795 2.788 20 0 EFADHL O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC001602276658 1096156848 /nfs/dbraw/zinc/15/68/48/1096156848.db2.gz GDVUMQQPTOCPCV-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(C3CCC3)CC2)c(F)cc1Cl ZINC001602292791 1096163658 /nfs/dbraw/zinc/16/36/58/1096163658.db2.gz HGSVDUMBYAZBNM-UHFFFAOYSA-N -2 3 347.795 2.788 20 0 EFADHL O=C([O-])c1ccc(C[N-]C(=O)C(F)(F)c2ccc(Cl)cc2)nc1 ZINC001602339879 1096190023 /nfs/dbraw/zinc/19/00/23/1096190023.db2.gz MWHTUUWNFQDQFO-UHFFFAOYSA-N -2 3 340.713 2.841 20 0 EFADHL O=C([O-])c1ccc(CNC(=O)c2c([O-])cnc3ccc(Cl)cc32)o1 ZINC001602343950 1096192141 /nfs/dbraw/zinc/19/21/41/1096192141.db2.gz VYQHTAYKNRFYQF-UHFFFAOYSA-N -2 3 346.726 2.815 20 0 EFADHL O=C([O-])c1ccc(COC(=O)c2cc(F)cc(Cl)c2[O-])nc1 ZINC001602352659 1096199529 /nfs/dbraw/zinc/19/95/29/1096199529.db2.gz RDSHAAKQGUKKJN-UHFFFAOYSA-N -2 3 325.679 2.635 20 0 EFADHL O=C([O-])c1ccc(Cl)c(CN2CCC(c3n[n-]c(=O)o3)CC2)c1 ZINC001602357043 1096201583 /nfs/dbraw/zinc/20/15/83/1096201583.db2.gz HQVVSJLSRVUQOW-UHFFFAOYSA-N -2 3 337.763 2.506 20 0 EFADHL O=C([O-])c1ccc(Cl)c(C(=O)Nc2n[n-]c(-c3ccco3)n2)c1 ZINC001602358818 1096202755 /nfs/dbraw/zinc/20/27/55/1096202755.db2.gz NKZMHKYZJIYADX-UHFFFAOYSA-N -2 3 332.703 2.669 20 0 EFADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cc([O-])cc(F)c1 ZINC001602363475 1096206519 /nfs/dbraw/zinc/20/65/19/1096206519.db2.gz SJPJTIGHDSPNAK-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL O=C([O-])c1ccc2c(c1)OCCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC001602423961 1096236722 /nfs/dbraw/zinc/23/67/22/1096236722.db2.gz LYEPTZQWQXJUJR-UHFFFAOYSA-N -2 3 347.754 2.779 20 0 EFADHL O=C([O-])c1ccc2c(c1)N(C(=O)c1nnc3ccccc3c1[O-])CCC2 ZINC001602424479 1096237345 /nfs/dbraw/zinc/23/73/45/1096237345.db2.gz FHEODUHUOZLOGC-UHFFFAOYSA-N -2 3 349.346 2.627 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1(c2cccc(Cl)c2)CC1 ZINC001602488707 1096270196 /nfs/dbraw/zinc/27/01/96/1096270196.db2.gz KRNCKEUGJXIPDR-UHFFFAOYSA-N -2 3 341.772 2.599 20 0 EFADHL O=C([O-])c1cncc(S(=O)(=O)[N-]c2ccc(Cl)cc2Cl)c1 ZINC001602543863 1096290365 /nfs/dbraw/zinc/29/03/65/1096290365.db2.gz XHKCHIDKVLMREH-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL O=C([O-])c1coc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)c1 ZINC001602551436 1096294186 /nfs/dbraw/zinc/29/41/86/1096294186.db2.gz YCOFTRXAULQIGR-UHFFFAOYSA-N -2 3 329.337 2.672 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]CCc2ccc3ccccc3c2)c1 ZINC001602558601 1096298300 /nfs/dbraw/zinc/29/83/00/1096298300.db2.gz BGAQEXUFDNDOGP-UHFFFAOYSA-N -2 3 345.376 2.652 20 0 EFADHL O=C([O-])c1cccn2cc(COC(=O)c3cccc(Cl)c3[O-])nc12 ZINC001602618020 1096327712 /nfs/dbraw/zinc/32/77/12/1096327712.db2.gz SKHVADMTKAOYDO-UHFFFAOYSA-N -2 3 346.726 2.749 20 0 EFADHL O=C([O-])c1cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc1Cl ZINC001602656437 1096340443 /nfs/dbraw/zinc/34/04/43/1096340443.db2.gz NVTMDFYERSOGGT-MDWZMJQESA-N -2 3 342.738 2.761 20 0 EFADHL CC(C)(CCNc1cccc(C(F)F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001603139060 1096456167 /nfs/dbraw/zinc/45/61/67/1096456167.db2.gz DDYDMMKHRPAOCT-UHFFFAOYSA-N -2 3 325.319 2.717 20 0 EFADHL CC(C)(CCNc1cccc(C(F)F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001603139060 1096456174 /nfs/dbraw/zinc/45/61/74/1096456174.db2.gz DDYDMMKHRPAOCT-UHFFFAOYSA-N -2 3 325.319 2.717 20 0 EFADHL CC(C)(C)C(=O)c1ccc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1 ZINC001603303373 1096499638 /nfs/dbraw/zinc/49/96/38/1096499638.db2.gz WOXYFLTZZXNLNI-UHFFFAOYSA-N -2 3 341.429 2.768 20 0 EFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccccc1 ZINC001603721738 1096601513 /nfs/dbraw/zinc/60/15/13/1096601513.db2.gz FHBGGEMUVBWTJG-CQSZACIVSA-N -2 3 337.397 2.696 20 0 EFADHL C[C@@H](CC[N-]S(=O)(=O)c1csnc1C(=O)[O-])CC(C)(C)C ZINC001604142426 1096749598 /nfs/dbraw/zinc/74/95/98/1096749598.db2.gz SZOCARMPGRFSCV-VIFPVBQESA-N -2 3 334.463 2.582 20 0 EFADHL CC(F)(F)C(=O)[N-][C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC001604249800 1096786464 /nfs/dbraw/zinc/78/64/64/1096786464.db2.gz RMBDFIVSCPLYDC-LLVKDONJSA-N -2 3 336.132 2.520 20 0 EFADHL C[C@@]1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CCCc2ccccc21 ZINC001604584908 1096909060 /nfs/dbraw/zinc/90/90/60/1096909060.db2.gz PEDBPIXPSNAQRL-KRWDZBQOSA-N -2 3 349.408 2.550 20 0 EFADHL CC[C@H](Sc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1)C(=O)[O-] ZINC001605125788 1097027245 /nfs/dbraw/zinc/02/72/45/1097027245.db2.gz BTKGCBQSEDLZIN-LBPRGKRZSA-N -2 3 344.396 2.536 20 0 EFADHL CCCC[C@@H](CCC)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001605237765 1097064794 /nfs/dbraw/zinc/06/47/94/1097064794.db2.gz LARIMWNKPVFSME-SNVBAGLBSA-N -2 3 334.463 2.726 20 0 EFADHL COc1ccc(-c2ccc3c(c2)C[C@@H]2[C@@H](C(=O)[O-])[C@H]32)c(-c2nnn[n-]2)c1 ZINC001605239531 1097065293 /nfs/dbraw/zinc/06/52/93/1097065293.db2.gz CJPGOAVBLQZHCK-GVDBMIGSSA-N -2 3 348.362 2.513 20 0 EFADHL COc1ccc(-c2ccc3c(c2)C[C@@H]2[C@@H](C(=O)[O-])[C@H]32)c(-c2nn[n-]n2)c1 ZINC001605239531 1097065299 /nfs/dbraw/zinc/06/52/99/1097065299.db2.gz CJPGOAVBLQZHCK-GVDBMIGSSA-N -2 3 348.362 2.513 20 0 EFADHL Cc1c(NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)cccc1-c1nnn[n-]1 ZINC001605494205 1097137266 /nfs/dbraw/zinc/13/72/66/1097137266.db2.gz IILIAGNNOWFQDR-QGZVFWFLSA-N -2 3 345.403 2.641 20 0 EFADHL Cc1c(NC(=O)[C@@](C)(CC(=O)[O-])CC(C)C)cccc1-c1nn[n-]n1 ZINC001605494205 1097137269 /nfs/dbraw/zinc/13/72/69/1097137269.db2.gz IILIAGNNOWFQDR-QGZVFWFLSA-N -2 3 345.403 2.641 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2ccsc2C(=O)[O-])c([O-])c1 ZINC001605572204 1097161437 /nfs/dbraw/zinc/16/14/37/1097161437.db2.gz CNEKZMBQHYPGDA-UHFFFAOYSA-N -2 3 335.337 2.581 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)s1 ZINC001605643466 1097178149 /nfs/dbraw/zinc/17/81/49/1097178149.db2.gz KAXQIECZQROBFP-UHFFFAOYSA-N -2 3 349.441 2.654 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)s1 ZINC001605643466 1097178154 /nfs/dbraw/zinc/17/81/54/1097178154.db2.gz KAXQIECZQROBFP-UHFFFAOYSA-N -2 3 349.441 2.654 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@@H]3CC[C@H](CC(=O)[O-])C3)nc2)n1 ZINC001605784420 1097223836 /nfs/dbraw/zinc/22/38/36/1097223836.db2.gz FIMJDATVAYMJLO-SMDDNHRTSA-N -2 3 342.399 2.862 20 0 EFADHL CCc1ccc(C(=O)NCc2ccc(Cl)c(C(=O)[O-])n2)c([O-])c1 ZINC001605804160 1097232910 /nfs/dbraw/zinc/23/29/10/1097232910.db2.gz BFMUUQVUWTUEGY-UHFFFAOYSA-N -2 3 334.759 2.631 20 0 EFADHL Cc1ccccc1C(C)(C)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001605933555 1097280333 /nfs/dbraw/zinc/28/03/33/1097280333.db2.gz VOZXJXZMPVUTKA-UHFFFAOYSA-N -2 3 337.383 2.563 20 0 EFADHL Cc1ccccc1C(C)(C)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001605933555 1097280339 /nfs/dbraw/zinc/28/03/39/1097280339.db2.gz VOZXJXZMPVUTKA-UHFFFAOYSA-N -2 3 337.383 2.563 20 0 EFADHL CC(C)Oc1cccnc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167939455 1097385047 /nfs/dbraw/zinc/38/50/47/1097385047.db2.gz VFBJDPMTXKSAGC-UHFFFAOYSA-N -2 3 348.339 2.954 20 0 EFADHL O=C(Nc1ccc(F)c(C(F)F)c1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001606921913 1097473783 /nfs/dbraw/zinc/47/37/83/1097473783.db2.gz UNIPHHNESIUFRD-UHFFFAOYSA-N -2 3 349.272 2.901 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cc(F)cc(Cl)c2)n1 ZINC001606962289 1097481734 /nfs/dbraw/zinc/48/17/34/1097481734.db2.gz NVUVLTRNDYCWAF-IWQZZHSRSA-N -2 3 345.721 2.923 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cc(F)cc(Cl)c2)n1 ZINC001606962289 1097481736 /nfs/dbraw/zinc/48/17/36/1097481736.db2.gz NVUVLTRNDYCWAF-IWQZZHSRSA-N -2 3 345.721 2.923 20 0 EFADHL COc1ccc(-c2nsc([N-]C(=O)c3cc(C(=O)[O-])co3)n2)cc1 ZINC001607197408 1097558032 /nfs/dbraw/zinc/55/80/32/1097558032.db2.gz BCIUTHGOCCGKTM-UHFFFAOYSA-N -2 3 345.336 2.757 20 0 EFADHL C[C@H]1CC[C@@]([N-]S(=O)(=O)c2ccc(Cl)cc2F)(C(=O)[O-])CC1 ZINC001607464903 1097633709 /nfs/dbraw/zinc/63/37/09/1097633709.db2.gz LPSANBPOTGVSOG-KMHCFJFGSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1c2occ(CC(=O)[N-]OCCCC(=O)[O-])c2ccc1Cl ZINC001607529495 1097652642 /nfs/dbraw/zinc/65/26/42/1097652642.db2.gz JPTGYTRCLSRGLT-UHFFFAOYSA-N -2 3 325.748 2.850 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC2(C)CCC(C)CC2)oc1C(=O)[O-] ZINC001607707251 1097705117 /nfs/dbraw/zinc/70/51/17/1097705117.db2.gz GRGIMWLCYYRYRR-UHFFFAOYSA-N -2 3 329.418 2.781 20 0 EFADHL Cc1ccc(C(=O)N2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)c([O-])c1 ZINC001607728820 1097711913 /nfs/dbraw/zinc/71/19/13/1097711913.db2.gz SSUOZPAZDPALBE-NSHDSACASA-N -2 3 346.408 2.875 20 0 EFADHL Cc1ccc([C@H](NCc2cc(C(=O)[O-])c3n2CCCC3)C(=O)[O-])cc1 ZINC001607757955 1097723002 /nfs/dbraw/zinc/72/30/02/1097723002.db2.gz WWXHFXAXFRVCIX-KRWDZBQOSA-N -2 3 342.395 2.747 20 0 EFADHL Cc1ccc([C@@H](NCc2cc(C(=O)[O-])c3n2CCCC3)C(=O)[O-])cc1 ZINC001607757956 1097723125 /nfs/dbraw/zinc/72/31/25/1097723125.db2.gz WWXHFXAXFRVCIX-QGZVFWFLSA-N -2 3 342.395 2.747 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C(=O)[O-])c(C(=O)[O-])c1 ZINC001607810856 1097740115 /nfs/dbraw/zinc/74/01/15/1097740115.db2.gz SUOVPLSYYYATCY-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)CCCC(F)(F)F)cc1C(=O)[O-] ZINC001608057192 1097819487 /nfs/dbraw/zinc/81/94/87/1097819487.db2.gz ZEIKFPDXEIAETK-ZETCQYMHSA-N -2 3 343.323 2.686 20 0 EFADHL Cc1sc(NC(=O)COC(=O)c2ccc([O-])cc2)c(C(=O)[O-])c1C ZINC001608072437 1097825778 /nfs/dbraw/zinc/82/57/78/1097825778.db2.gz XFICECRONWWKRD-UHFFFAOYSA-N -2 3 349.364 2.564 20 0 EFADHL O=C([O-])c1c[nH]c2cc(NC(=O)c3[n-]cnc3C(F)(F)F)ccc12 ZINC001608514610 1097937928 /nfs/dbraw/zinc/93/79/28/1097937928.db2.gz ZYNRWMJCJHKSCU-UHFFFAOYSA-N -2 3 338.245 2.860 20 0 EFADHL O=C([O-])c1c[nH]c2cc(NC(=O)c3nc[n-]c3C(F)(F)F)ccc12 ZINC001608514610 1097937931 /nfs/dbraw/zinc/93/79/31/1097937931.db2.gz ZYNRWMJCJHKSCU-UHFFFAOYSA-N -2 3 338.245 2.860 20 0 EFADHL O=C([O-])CC1(COC(=O)c2cc([O-])cc(Br)c2)CC1 ZINC001608680937 1097988609 /nfs/dbraw/zinc/98/86/09/1097988609.db2.gz ZBEQSXDGEXMPHS-UHFFFAOYSA-N -2 3 329.146 2.566 20 0 EFADHL O=C([O-])[C@H]1CCCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001608629636 1097970640 /nfs/dbraw/zinc/97/06/40/1097970640.db2.gz XWMDDAHXRSFYHS-GFCCVEGCSA-N -2 3 341.367 2.911 20 0 EFADHL O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC001608851908 1098045312 /nfs/dbraw/zinc/04/53/12/1098045312.db2.gz SPWIGMDCUWWKSQ-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1CCC(c2ccccc2)CC1 ZINC001608956083 1098090421 /nfs/dbraw/zinc/09/04/21/1098090421.db2.gz DGXHXYIEYPEPBZ-UHFFFAOYSA-N -2 3 349.408 2.983 20 0 EFADHL O=C([O-])c1coc(C(=O)[N-]c2nnc(/C=C/c3ccco3)s2)c1 ZINC001608988024 1098100975 /nfs/dbraw/zinc/10/09/75/1098100975.db2.gz NCNOPHXOYSYZRW-ONEGZZNKSA-N -2 3 331.309 2.845 20 0 EFADHL O=C([O-])c1cscc1C(=O)OCc1noc(-c2ccccc2[O-])n1 ZINC001608994811 1098103107 /nfs/dbraw/zinc/10/31/07/1098103107.db2.gz QZJOOBRSTRRAFI-UHFFFAOYSA-N -2 3 346.320 2.559 20 0 EFADHL CC(=Cc1ccc(F)c(F)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060334 1098125574 /nfs/dbraw/zinc/12/55/74/1098125574.db2.gz IZVQAOIBZQWADB-ALCCZGGFSA-N -2 3 330.298 2.509 20 0 EFADHL CC(=Cc1ccc(F)c(F)c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060334 1098125575 /nfs/dbraw/zinc/12/55/75/1098125575.db2.gz IZVQAOIBZQWADB-ALCCZGGFSA-N -2 3 330.298 2.509 20 0 EFADHL CC(C)Oc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001609103906 1098147388 /nfs/dbraw/zinc/14/73/88/1098147388.db2.gz ZPDRHVBKPJQOQH-UHFFFAOYSA-N -2 3 339.355 2.612 20 0 EFADHL CCOc1cccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)c1 ZINC001609245989 1098219989 /nfs/dbraw/zinc/21/99/89/1098219989.db2.gz WTGQNOAKLPMTRY-CSKARUKUSA-N -2 3 338.371 2.630 20 0 EFADHL CCOc1cccc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)c1 ZINC001609245989 1098219994 /nfs/dbraw/zinc/21/99/94/1098219994.db2.gz WTGQNOAKLPMTRY-CSKARUKUSA-N -2 3 338.371 2.630 20 0 EFADHL CC(=O)c1ccc(C(=O)Nc2nc(C(C)(C)C(=O)[O-])cs2)cc1[O-] ZINC001609629069 1098409060 /nfs/dbraw/zinc/40/90/60/1098409060.db2.gz OXLFRNGQICTTAP-UHFFFAOYSA-N -2 3 348.380 2.666 20 0 EFADHL CC(C)C1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC1 ZINC001609688009 1098427826 /nfs/dbraw/zinc/42/78/26/1098427826.db2.gz CKALJIFSEVDQBS-UHFFFAOYSA-N -2 3 349.811 2.892 20 0 EFADHL CC(C)c1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c([O-])c1 ZINC001609718824 1098436434 /nfs/dbraw/zinc/43/64/34/1098436434.db2.gz GZGXOUWGVPKQHQ-UHFFFAOYSA-N -2 3 335.400 2.612 20 0 EFADHL CC[C@](NC(=O)Cc1ccc([O-])c(F)c1)(C(=O)[O-])c1ccccc1 ZINC001609928243 1098497250 /nfs/dbraw/zinc/49/72/50/1098497250.db2.gz NDJLIYUFXBBOFO-GOSISDBHSA-N -2 3 331.343 2.580 20 0 EFADHL CCc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)c([O-])c1 ZINC001610060146 1098533903 /nfs/dbraw/zinc/53/39/03/1098533903.db2.gz CKEYGHAWQKENQO-LBPRGKRZSA-N -2 3 343.379 2.909 20 0 EFADHL CCc1ccc(C(=O)NCc2ccc(C(=O)[O-])c(C3CC3)n2)c([O-])c1 ZINC001610060280 1098534553 /nfs/dbraw/zinc/53/45/53/1098534553.db2.gz MOOYNVHASJPTOY-UHFFFAOYSA-N -2 3 340.379 2.855 20 0 EFADHL CCc1ccc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c([O-])c1 ZINC001610060157 1098534749 /nfs/dbraw/zinc/53/47/49/1098534749.db2.gz DHJKAOKXUODWBC-HXUWFJFHSA-N -2 3 339.391 2.823 20 0 EFADHL CCc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])c([O-])c1 ZINC001610060517 1098534978 /nfs/dbraw/zinc/53/49/78/1098534978.db2.gz RYAABASQFQBGPE-QGZVFWFLSA-N -2 3 325.364 2.779 20 0 EFADHL Cc1ccc(-c2cc(C(=O)O[C@@H](Cc3ccccc3)C(=O)[O-])n[n-]2)o1 ZINC001610479828 1098701738 /nfs/dbraw/zinc/70/17/38/1098701738.db2.gz RPXVWWGWYTVANM-INIZCTEOSA-N -2 3 340.335 2.831 20 0 EFADHL Cc1ccc(-c2nc(NC(=O)CCc3ccccc3C(=O)[O-])n[n-]2)o1 ZINC001610481816 1098702325 /nfs/dbraw/zinc/70/23/25/1098702325.db2.gz YKYJNXLTQATDLV-UHFFFAOYSA-N -2 3 340.339 2.643 20 0 EFADHL Cc1ccc([C@@H]([N-]C(=O)C(F)(F)c2nccs2)C(=O)[O-])cc1C ZINC001610493854 1098710996 /nfs/dbraw/zinc/71/09/96/1098710996.db2.gz BFGMGDHOWLHLPY-LLVKDONJSA-N -2 3 340.351 2.794 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2c(C)c(C(=O)[O-])ccc2Cl)cn1 ZINC001610513625 1098724369 /nfs/dbraw/zinc/72/43/69/1098724369.db2.gz MMXHDFZRIIEUDL-UHFFFAOYSA-N -2 3 340.788 2.851 20 0 EFADHL Cc1cccc(Cl)c1[N-]S(=O)(=O)c1cncc(C(=O)[O-])c1 ZINC001610523210 1098730903 /nfs/dbraw/zinc/73/09/03/1098730903.db2.gz ZVDJXEIFOFEXTJ-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL Cc1nc(NC(=O)c2c[n-]c3c(C)cccc3c2=O)sc1C(=O)[O-] ZINC001610559728 1098754081 /nfs/dbraw/zinc/75/40/81/1098754081.db2.gz ASZACHICJCLQSA-UHFFFAOYSA-N -2 3 343.364 2.552 20 0 EFADHL Cc1nc2cc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)ccc2[nH]1 ZINC001610561643 1098754721 /nfs/dbraw/zinc/75/47/21/1098754721.db2.gz YCRKIEXSAUFZST-UHFFFAOYSA-N -2 3 349.343 2.509 20 0 EFADHL Cc1nc2ccc([N-]S(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)cc2[nH]1 ZINC001610561643 1098754733 /nfs/dbraw/zinc/75/47/33/1098754733.db2.gz YCRKIEXSAUFZST-UHFFFAOYSA-N -2 3 349.343 2.509 20 0 EFADHL Cc1ncc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC001610564084 1098756005 /nfs/dbraw/zinc/75/60/05/1098756005.db2.gz ZTMBWBFNMNXBHB-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL O=C([O-])c1n[nH]c2ccc(NC(=O)c3cc([O-])ccc3Cl)cc21 ZINC001610707605 1098836729 /nfs/dbraw/zinc/83/67/29/1098836729.db2.gz AOIXWCMLKNZVKV-UHFFFAOYSA-N -2 3 331.715 2.872 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(F)F)s1 ZINC001610838008 1098925428 /nfs/dbraw/zinc/92/54/28/1098925428.db2.gz FZVMISPFNRDQSW-NSHDSACASA-N -2 3 347.364 2.731 20 0 EFADHL O=C([O-])[C@@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1cccc(Cl)c1 ZINC001610876581 1098950320 /nfs/dbraw/zinc/95/03/20/1098950320.db2.gz WANLMBJUDRRVRI-ZDUSSCGKSA-N -2 3 349.705 2.733 20 0 EFADHL COC(=O)c1cccc2[n-]c(NC(=O)c3cc(F)cc(F)c3[O-])nc21 ZINC001631301381 1100385413 /nfs/dbraw/zinc/38/54/13/1100385413.db2.gz VTJDFJBMRHNZRC-UHFFFAOYSA-N -2 3 347.277 2.586 20 0 EFADHL O=C(N[C@@H](c1nnn[n-]1)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC001634275176 1100595585 /nfs/dbraw/zinc/59/55/85/1100595585.db2.gz PGFSHHMRRAFXRF-MRXNPFEDSA-N -2 3 345.362 2.578 20 0 EFADHL O=C(N[C@@H](c1nn[n-]n1)c1ccccc1)c1ccc2ccccc2c1[O-] ZINC001634275176 1100595593 /nfs/dbraw/zinc/59/55/93/1100595593.db2.gz PGFSHHMRRAFXRF-MRXNPFEDSA-N -2 3 345.362 2.578 20 0 EFADHL O=C(Nc1ncccc1[O-])c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC001638380728 1100853161 /nfs/dbraw/zinc/85/31/61/1100853161.db2.gz RQMYBIVWXJPCJY-UHFFFAOYSA-N -2 3 330.731 2.584 20 0 EFADHL C[C@@H](CCC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000229516897 201041483 /nfs/dbraw/zinc/04/14/83/201041483.db2.gz KILNUNJCRSGQMU-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL C[C@H](CCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000229519704 201042338 /nfs/dbraw/zinc/04/23/38/201042338.db2.gz LKZSAMVBTSNHCH-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL C[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)CC(=O)[O-] ZINC000275079078 201276770 /nfs/dbraw/zinc/27/67/70/201276770.db2.gz YFXSQEBAJBSVDV-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccnc2Cl)ccc1Cl ZINC000023761969 212395198 /nfs/dbraw/zinc/39/51/98/212395198.db2.gz BHOCCJCZVYMSTL-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000070312070 203075551 /nfs/dbraw/zinc/07/55/51/203075551.db2.gz YRHRLVGSESNZKQ-ZETCQYMHSA-N -2 3 326.201 2.525 20 0 EFADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000070311788 203075622 /nfs/dbraw/zinc/07/56/22/203075622.db2.gz OBNNSWSVXYPISH-SSDOTTSWSA-N -2 3 326.201 2.525 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000007708963 206525130 /nfs/dbraw/zinc/52/51/30/206525130.db2.gz RKUUFVZIHWCQES-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N(C)c2cccc(C)c2C)c1 ZINC000436716782 249581679 /nfs/dbraw/zinc/58/16/79/249581679.db2.gz AFWGISBOXDSZDK-UHFFFAOYSA-N -2 3 349.408 2.841 20 0 EFADHL Cc1ccn2c(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)cnc2c1 ZINC000443438256 250194745 /nfs/dbraw/zinc/19/47/45/250194745.db2.gz FEYUQXAGRWZPOK-HYXAFXHYSA-N -2 3 338.367 2.634 20 0 EFADHL Cc1nc(C=C2COc3ccc(F)cc32)[n-]c(=O)c1CCC(=O)[O-] ZINC000443447606 250195772 /nfs/dbraw/zinc/19/57/72/250195772.db2.gz WRVIHMPRUHZEMA-UXBLZVDNSA-N -2 3 330.315 2.580 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000013340831 207375048 /nfs/dbraw/zinc/37/50/48/207375048.db2.gz JWOSSQXUYGOFRJ-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL COc1cc(C)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000453023952 252020938 /nfs/dbraw/zinc/02/09/38/252020938.db2.gz ITJQENDIQTUSDN-VURMDHGXSA-N -2 3 328.368 2.995 20 0 EFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000319880142 296441944 /nfs/dbraw/zinc/44/19/44/296441944.db2.gz QDBZZBTUPZHVAV-ZYHUDNBSSA-N -2 3 329.393 2.771 20 0 EFADHL CCn1cc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1C(=O)[O-] ZINC000315178493 545811995 /nfs/dbraw/zinc/81/19/95/545811995.db2.gz IWDWNQZNLAJIGI-UHFFFAOYSA-N -2 3 346.767 2.800 20 0 EFADHL CCCN(CC(=O)[O-])C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000263443464 141394568 /nfs/dbraw/zinc/39/45/68/141394568.db2.gz QFMBREUBCGPSGF-UHFFFAOYSA-N -2 3 343.379 2.908 20 0 EFADHL CCCN(CC(=O)[O-])C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000263453693 141395966 /nfs/dbraw/zinc/39/59/66/141395966.db2.gz TYIZDQFNHIEFJL-UHFFFAOYSA-N -2 3 327.380 2.920 20 0 EFADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(Cl)cc2[O-])cc1 ZINC000339007891 141712848 /nfs/dbraw/zinc/71/28/48/141712848.db2.gz YPTRWWJMMPBIOT-UHFFFAOYSA-N -2 3 340.788 2.669 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C(=O)[O-])c(C)c1 ZINC000342289217 145093980 /nfs/dbraw/zinc/09/39/80/145093980.db2.gz WHMNFGKZPZIOFA-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)c1 ZINC000342638871 145163740 /nfs/dbraw/zinc/16/37/40/145163740.db2.gz SATBIGXOYYHTHU-UHFFFAOYSA-N -2 3 345.323 2.803 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)c1 ZINC000342750017 145184958 /nfs/dbraw/zinc/18/49/58/145184958.db2.gz AQQQBRATJVEQLK-UHFFFAOYSA-N -2 3 332.381 2.693 20 0 EFADHL CCOc1cc(F)ccc1[N-]S(=O)(=O)c1cc(OC)ccc1[O-] ZINC000342762505 145187544 /nfs/dbraw/zinc/18/75/44/145187544.db2.gz XDJKPLXNDWXREM-UHFFFAOYSA-N -2 3 341.360 2.739 20 0 EFADHL CCCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC000342774145 145189044 /nfs/dbraw/zinc/18/90/44/145189044.db2.gz DRVDPHDOPRNUJI-UHFFFAOYSA-N -2 3 337.397 2.990 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)CCC3)c1 ZINC000342779861 145190341 /nfs/dbraw/zinc/19/03/41/145190341.db2.gz LADCMNBJNAOOHV-UHFFFAOYSA-N -2 3 347.392 2.721 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c1 ZINC000342788604 145193697 /nfs/dbraw/zinc/19/36/97/145193697.db2.gz ZXVSHFWOXLWBCX-UHFFFAOYSA-N -2 3 329.761 2.561 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C(=O)[O-] ZINC000342969110 145231863 /nfs/dbraw/zinc/23/18/63/145231863.db2.gz BDKHMZXIQODEJC-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1nc(C=Cc2ccc(OC(F)F)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347415478 145862901 /nfs/dbraw/zinc/86/29/01/145862901.db2.gz IBFASBYMWXCAJO-DAXSKMNVSA-N -2 3 336.294 2.890 20 0 EFADHL Cc1nc(C=Cc2ccc(N(C)C(C)C)nc2)[n-]c(=O)c1CC(=O)[O-] ZINC000349105178 146053040 /nfs/dbraw/zinc/05/30/40/146053040.db2.gz GGRBPNHAZMVAAY-ALCCZGGFSA-N -2 3 342.399 2.528 20 0 EFADHL CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1F ZINC000349106999 146053630 /nfs/dbraw/zinc/05/36/30/146053630.db2.gz JBSGCVFOAOGMGM-FNORWQNLSA-N -2 3 332.331 2.826 20 0 EFADHL Cc1nc(C=Cc2coc(-c3ccccc3)n2)[n-]c(=O)c1CC(=O)[O-] ZINC000349107450 146054092 /nfs/dbraw/zinc/05/40/92/146054092.db2.gz JXBMYOJSIZPFDH-FPLPWBNLSA-N -2 3 337.335 2.943 20 0 EFADHL Cc1nc(C=Cc2ncc(C(F)(F)F)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349113319 146054497 /nfs/dbraw/zinc/05/44/97/146054497.db2.gz RCYBXLPQKJASOZ-IHWYPQMZSA-N -2 3 345.302 2.763 20 0 EFADHL Cc1nc(C=Cc2cccc(OC(F)F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349115353 146054868 /nfs/dbraw/zinc/05/48/68/146054868.db2.gz XLSJWCWDLDPHLF-WAYWQWQTSA-N -2 3 336.294 2.890 20 0 EFADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccccc3C(=O)[O-])ccc2O1 ZINC000350731082 146084877 /nfs/dbraw/zinc/08/48/77/146084877.db2.gz YHQVPYMQBVZGDO-JTQLQIEISA-N -2 3 333.365 2.509 20 0 EFADHL COc1ccc([O-])c([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c1 ZINC000350828182 146093955 /nfs/dbraw/zinc/09/39/55/146093955.db2.gz FOFPTQKPUDNTDA-UHFFFAOYSA-N -2 3 340.401 2.628 20 0 EFADHL O=C([N-]c1nnc(-c2ccccn2)s1)c1c(F)ccc([O-])c1F ZINC000360220844 148303098 /nfs/dbraw/zinc/30/30/98/148303098.db2.gz RVZOQFGXKPRXOC-UHFFFAOYSA-N -2 3 334.307 2.836 20 0 EFADHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000360500477 148376890 /nfs/dbraw/zinc/37/68/90/148376890.db2.gz MLBTUUGWUBYASI-UHFFFAOYSA-N -3 3 341.772 2.853 20 0 EFADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cccc(F)c2F)c1 ZINC000362303751 148796079 /nfs/dbraw/zinc/79/60/79/148796079.db2.gz BBFFTXZUSMFEEB-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)c1Cl ZINC000378437171 152083303 /nfs/dbraw/zinc/08/33/03/152083303.db2.gz FSFHRBKABZXZMG-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(-c3nn[n-]n3)cc2)c1Cl ZINC000378437171 152083306 /nfs/dbraw/zinc/08/33/06/152083306.db2.gz FSFHRBKABZXZMG-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL Cc1cccc(C[C@@H](CNC(=O)c2ccc(C)cc2[O-])C(=O)[O-])c1 ZINC000237594950 273071769 /nfs/dbraw/zinc/07/17/69/273071769.db2.gz OLNAMYKISQQZQI-HNNXBMFYSA-N -2 3 327.380 2.682 20 0 EFADHL COc1ccc(OC)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1 ZINC000282097361 273513961 /nfs/dbraw/zinc/51/39/61/273513961.db2.gz IYFKQFMZJZWJHF-XBXARRHUSA-N -2 3 344.367 2.695 20 0 EFADHL CC[C@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])OC ZINC000421158472 287901321 /nfs/dbraw/zinc/90/13/21/287901321.db2.gz SCHDSATYZZMARE-SECBINFHSA-N -2 3 335.809 2.513 20 0 EFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000020302047 279194521 /nfs/dbraw/zinc/19/45/21/279194521.db2.gz RGIPFILQEBATTR-NSHDSACASA-N -2 3 340.228 2.771 20 0 EFADHL Cc1ccc([O-])c([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1 ZINC000080983506 292809240 /nfs/dbraw/zinc/80/92/40/292809240.db2.gz GEHOQYXDNDCTKH-UHFFFAOYSA-N -2 3 325.361 2.660 20 0 EFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000087492089 292828417 /nfs/dbraw/zinc/82/84/17/292828417.db2.gz IDFRIXNTXQXTER-VIFPVBQESA-N -2 3 340.228 2.629 20 0 EFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000087492088 292828544 /nfs/dbraw/zinc/82/85/44/292828544.db2.gz IDFRIXNTXQXTER-SECBINFHSA-N -2 3 340.228 2.629 20 0 EFADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000421145275 293496817 /nfs/dbraw/zinc/49/68/17/293496817.db2.gz CTVRLMPUJULCGG-JTQLQIEISA-N -2 3 349.836 2.841 20 0 EFADHL COc1cc(/C=C/C(=O)[O-])ccc1[N-]S(=O)(=O)CCC(C)(C)C ZINC000290548903 294117074 /nfs/dbraw/zinc/11/70/74/294117074.db2.gz QDEADUJCXMJXNR-SOFGYWHQSA-N -2 3 341.429 2.971 20 0 EFADHL COc1cccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000263438395 295288553 /nfs/dbraw/zinc/28/85/53/295288553.db2.gz PBQSFAQTLXRQLN-CQSZACIVSA-N -2 3 343.379 2.607 20 0 EFADHL O=C(c1ccc([O-])cc1)N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295317100 295299390 /nfs/dbraw/zinc/29/93/90/295299390.db2.gz LBQHYKSKUSVXRM-UHFFFAOYSA-N -2 3 346.814 2.709 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-] ZINC000261737478 301017355 /nfs/dbraw/zinc/01/73/55/301017355.db2.gz UEGMRBBGZAFJJX-GFCCVEGCSA-N -2 3 343.376 2.658 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc(C(=O)[O-])c1C ZINC000348444349 301402385 /nfs/dbraw/zinc/40/23/85/301402385.db2.gz BMCKPBJWUJYHQB-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1oc(C[N-]S(=O)(=O)c2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000314784590 311233543 /nfs/dbraw/zinc/23/35/43/311233543.db2.gz UJTOXFPNRMBKIN-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL C[C@@H]1CCC[C@@]([N-]S(=O)(=O)c2ccc(F)cc2Cl)(C(=O)[O-])C1 ZINC000315287839 311234160 /nfs/dbraw/zinc/23/41/60/311234160.db2.gz HAACIBIRTOTHJN-OTYXRUKQSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000316308758 311235146 /nfs/dbraw/zinc/23/51/46/311235146.db2.gz MVFYDFHJHFEKNQ-VHSXEESVSA-N -2 3 335.372 2.523 20 0 EFADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000316206929 311235188 /nfs/dbraw/zinc/23/51/88/311235188.db2.gz FSNAFZQSBAUWNT-UWVGGRQHSA-N -2 3 335.372 2.523 20 0 EFADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000316206931 311235201 /nfs/dbraw/zinc/23/52/01/311235201.db2.gz FSNAFZQSBAUWNT-VHSXEESVSA-N -2 3 335.372 2.523 20 0 EFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000317154211 311235794 /nfs/dbraw/zinc/23/57/94/311235794.db2.gz CJCSXPLGEZWZMC-PWSUYJOCSA-N -2 3 349.811 2.791 20 0 EFADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000317165076 311235800 /nfs/dbraw/zinc/23/58/00/311235800.db2.gz KQQWIBLJPWUHCF-LLVKDONJSA-N -2 3 335.372 2.523 20 0 EFADHL Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1)OCO2 ZINC000350800441 311824213 /nfs/dbraw/zinc/82/42/13/311824213.db2.gz FBKFFEXOQHPJFJ-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL CC[C@H](C[N-]S(=O)(=O)c1csc(C(=O)[O-])c1)CC(F)(F)F ZINC000402555790 311973669 /nfs/dbraw/zinc/97/36/69/311973669.db2.gz GZBATYFLVSVVGX-ZETCQYMHSA-N -2 3 345.364 2.703 20 0 EFADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)CCOCC1CC1 ZINC000424067721 312506552 /nfs/dbraw/zinc/50/65/52/312506552.db2.gz XCGDTMODSFANIK-UHFFFAOYSA-N -2 3 347.820 2.515 20 0 EFADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000481461698 313292429 /nfs/dbraw/zinc/29/24/29/313292429.db2.gz AVIIBJRETVYTQV-UHFFFAOYSA-N -3 3 335.381 2.762 20 0 EFADHL CC(C)CSCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000514789956 315563420 /nfs/dbraw/zinc/56/34/20/315563420.db2.gz VDKZPXYEQWQHHI-UHFFFAOYSA-N -2 3 337.488 2.504 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2CCc3ccc(F)cc32)c1 ZINC000546250409 317957363 /nfs/dbraw/zinc/95/73/63/317957363.db2.gz KMTIATDLIXUYJB-LBPRGKRZSA-N -2 3 341.385 2.551 20 0 EFADHL Cc1ccc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1F ZINC000547547323 318018492 /nfs/dbraw/zinc/01/84/92/318018492.db2.gz UGCHATMNYBQQBL-UHFFFAOYSA-N -2 3 341.335 2.913 20 0 EFADHL CCCc1ccc([N-]S(=O)(=O)Cc2cc(C)no2)c(C(=O)[O-])c1 ZINC000547598403 318020772 /nfs/dbraw/zinc/02/07/72/318020772.db2.gz ZDVBWDJIYNTIQZ-UHFFFAOYSA-N -2 3 338.385 2.576 20 0 EFADHL C[C@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)CC(=O)[O-] ZINC000547613566 318021656 /nfs/dbraw/zinc/02/16/56/318021656.db2.gz FLLCFPQYCMCFDI-QMMMGPOBSA-N -2 3 347.845 2.944 20 0 EFADHL CC1([C@@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C(=O)[O-])CCCCC1 ZINC000547701298 318031674 /nfs/dbraw/zinc/03/16/74/318031674.db2.gz KTVULAOTORFPOO-ZDUSSCGKSA-N -2 3 347.383 2.667 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000547872205 318050541 /nfs/dbraw/zinc/05/05/41/318050541.db2.gz UOQIJZZPVJXXJA-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL C[C@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000547896728 318051671 /nfs/dbraw/zinc/05/16/71/318051671.db2.gz PIPVJRHDMKWCMY-SECBINFHSA-N -2 3 337.800 2.791 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccsc1 ZINC000547931488 318053402 /nfs/dbraw/zinc/05/34/02/318053402.db2.gz BACMSOPOJRRWAN-NSHDSACASA-N -2 3 349.792 2.645 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-] ZINC000547934697 318053524 /nfs/dbraw/zinc/05/35/24/318053524.db2.gz VBTYJHFUBCOVFU-VXGBXAGGSA-N -2 3 331.409 2.692 20 0 EFADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)CCc2ccccc2)c1F ZINC000547937977 318053967 /nfs/dbraw/zinc/05/39/67/318053967.db2.gz INRHERYQYXYYEK-UHFFFAOYSA-N -2 3 341.335 2.647 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]CC2CC(C)(C)C2)c1 ZINC000548357440 318098616 /nfs/dbraw/zinc/09/86/16/318098616.db2.gz APEFLXKPSVCOON-UHFFFAOYSA-N -2 3 329.393 2.547 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548534229 318118328 /nfs/dbraw/zinc/11/83/28/318118328.db2.gz BCQHZVSMAHRRBA-LBPRGKRZSA-N -2 3 327.789 2.635 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000548554140 318119093 /nfs/dbraw/zinc/11/90/93/318119093.db2.gz FRJIKAJQDFKWBO-TZMCWYRMSA-N -2 3 349.811 2.791 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1ccsc1 ZINC000548594009 318121731 /nfs/dbraw/zinc/12/17/31/318121731.db2.gz SPNVPMRBSYPQTF-NSHDSACASA-N -2 3 349.792 2.645 20 0 EFADHL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCC(C)C ZINC000548594596 318121853 /nfs/dbraw/zinc/12/18/53/318121853.db2.gz XVVKDMVJIANOMZ-UHFFFAOYSA-N -2 3 329.418 2.961 20 0 EFADHL C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])C1 ZINC000548771488 318142248 /nfs/dbraw/zinc/14/22/48/318142248.db2.gz JZEDUFPTUFUFQH-YMTOWFKASA-N -2 3 349.811 2.791 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CCCC1 ZINC000548837590 318149363 /nfs/dbraw/zinc/14/93/63/318149363.db2.gz DGUGKXFPCMDNLI-UHFFFAOYSA-N -2 3 338.212 2.669 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@@H](C)C2CC2)c(Cl)cc1F ZINC000548981882 318159734 /nfs/dbraw/zinc/15/97/34/318159734.db2.gz QAISGAOKRVNIPW-ISVAXAHUSA-N -2 3 349.811 2.565 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)C2CC2)c(Cl)cc1F ZINC000548981885 318159955 /nfs/dbraw/zinc/15/99/55/318159955.db2.gz QAISGAOKRVNIPW-SDBXPKJASA-N -2 3 349.811 2.565 20 0 EFADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2ccc(Cl)s2)(C(=O)[O-])C1 ZINC000551914994 318224849 /nfs/dbraw/zinc/22/48/49/318224849.db2.gz GDHSPTVMKFSJOS-GFCCVEGCSA-N -2 3 337.850 2.713 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CCC1 ZINC000558588883 318476223 /nfs/dbraw/zinc/47/62/23/318476223.db2.gz MZVHLEHQEGYMRK-UHFFFAOYSA-N -2 3 345.829 2.840 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)CCc2ccccc2)cc1C(=O)[O-] ZINC000563075302 318737636 /nfs/dbraw/zinc/73/76/36/318737636.db2.gz QTUDQVYCNKRATK-NSHDSACASA-N -2 3 337.397 2.586 20 0 EFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000565702024 318994167 /nfs/dbraw/zinc/99/41/67/318994167.db2.gz LXYWXUSITZFVSW-ZDUSSCGKSA-N -2 3 339.388 2.614 20 0 EFADHL C/C=C\C[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000567163946 319144485 /nfs/dbraw/zinc/14/44/85/319144485.db2.gz HQOUPVAGTIFWKM-VSQXVHSFSA-N -2 3 341.360 2.578 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000568862454 319325145 /nfs/dbraw/zinc/32/51/45/319325145.db2.gz NJKIAUFDWLHLBO-LLVKDONJSA-N -2 3 337.397 2.677 20 0 EFADHL Cc1cccc(C)c1CC[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000573603497 319782014 /nfs/dbraw/zinc/78/20/14/319782014.db2.gz BLYBKFHGIBKRJC-UHFFFAOYSA-N -2 3 339.438 2.584 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@](C)(CC(=O)[O-])C(C)C ZINC000574274884 319847259 /nfs/dbraw/zinc/84/72/59/319847259.db2.gz WCTQPSBPLUNMDI-AWEZNQCLSA-N -2 3 349.836 2.516 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000574635476 319879756 /nfs/dbraw/zinc/87/97/56/319879756.db2.gz NKQVBLKSIPJIKH-LLVKDONJSA-N -2 3 337.397 2.622 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H]2CC(C)(C)c3ccccc32)cc1C(=O)[O-] ZINC000576582513 320029605 /nfs/dbraw/zinc/02/96/05/320029605.db2.gz SPVXDWDGLXYBCE-AWEZNQCLSA-N -2 3 349.408 2.987 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C)C1CC1 ZINC000576874933 320056618 /nfs/dbraw/zinc/05/66/18/320056618.db2.gz FPWBZZYWRPCURD-CQSZACIVSA-N -2 3 341.429 2.675 20 0 EFADHL O=C([O-])c1cccc(Cl)c1[N-]S(=O)(=O)CCC(F)(F)F ZINC000578197807 320182843 /nfs/dbraw/zinc/18/28/43/320182843.db2.gz ZBMPSRLWCAKIQG-UHFFFAOYSA-N -2 3 331.699 2.732 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCCc3ccccc32)o1 ZINC000578765116 320237853 /nfs/dbraw/zinc/23/78/53/320237853.db2.gz HWUITUJIXAZUFJ-CYBMUJFWSA-N -2 3 335.381 2.724 20 0 EFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000211120052 323530532 /nfs/dbraw/zinc/53/05/32/323530532.db2.gz LISWLROOKUKYBU-LBPRGKRZSA-N -2 3 340.228 2.773 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000387930881 323767063 /nfs/dbraw/zinc/76/70/63/323767063.db2.gz VSNIWPKHLXGJFI-BXUZGUMPSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000389344317 323771454 /nfs/dbraw/zinc/77/14/54/323771454.db2.gz JUTVBKSQEMMIOL-TZMCWYRMSA-N -2 3 349.811 2.791 20 0 EFADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000580868636 324253442 /nfs/dbraw/zinc/25/34/42/324253442.db2.gz YBVBIKCYZYPTHV-KGLIPLIRSA-N -2 3 347.383 2.667 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000580950345 324273862 /nfs/dbraw/zinc/27/38/62/324273862.db2.gz KXZBRGPLTQREAG-GHMZBOCLSA-N -2 3 337.397 2.757 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)CCC(C)(C)C ZINC000581486336 324389492 /nfs/dbraw/zinc/38/94/92/324389492.db2.gz GVCAPFXOXDEKSM-VIFPVBQESA-N -2 3 349.474 2.948 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1)C(F)F ZINC000582670242 324644985 /nfs/dbraw/zinc/64/49/85/324644985.db2.gz SKFWFCSGCLLXCC-JTQLQIEISA-N -2 3 341.763 2.669 20 0 EFADHL CCC(CC)(CC)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000583992102 324909522 /nfs/dbraw/zinc/90/95/22/324909522.db2.gz PKBXBFVTTXWDTI-UHFFFAOYSA-N -2 3 347.408 2.780 20 0 EFADHL CCc1cccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1[O-] ZINC000081937033 473273818 /nfs/dbraw/zinc/27/38/18/473273818.db2.gz WDMRSQKIBWVRTH-UHFFFAOYSA-N -2 3 343.408 2.525 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1nc(C)cs1 ZINC000185007547 473300027 /nfs/dbraw/zinc/30/00/27/473300027.db2.gz YBMUMCIDBCKKCW-SECBINFHSA-N -2 3 346.455 2.641 20 0 EFADHL COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@H]3CCCC[C@H]32)c([O-])c1 ZINC000622000530 479876369 /nfs/dbraw/zinc/87/63/69/479876369.db2.gz QSPYDJGNCZJCBG-VNHYZAJKSA-N -2 3 333.384 2.506 20 0 EFADHL C[C@H]1CCCN(Cc2cccc([O-])c2Br)[C@H]1C(=O)[O-] ZINC000424418770 477400046 /nfs/dbraw/zinc/40/00/46/477400046.db2.gz ZHLTTZRZSKBANN-TVQRCGJNSA-N -2 3 328.206 2.840 20 0 EFADHL CCO[C@@H](CS(=O)(=O)[N-]c1c(Cl)cccc1C(=O)[O-])C1CC1 ZINC000629294786 480203096 /nfs/dbraw/zinc/20/30/96/480203096.db2.gz CPMXOFPFLVJKJB-LBPRGKRZSA-N -2 3 347.820 2.595 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)cc2)cc1 ZINC000006214027 471535537 /nfs/dbraw/zinc/53/55/37/471535537.db2.gz IZUNXXFVXSMQQR-UHFFFAOYSA-N -2 3 343.307 2.787 20 0 EFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000035390666 471996994 /nfs/dbraw/zinc/99/69/94/471996994.db2.gz OLMDYDWYWRGTQR-JTQLQIEISA-N -2 3 340.228 2.771 20 0 EFADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000024433506 472055243 /nfs/dbraw/zinc/05/52/43/472055243.db2.gz DAILTPOLDZVOLU-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)s1)CCC(=O)[O-] ZINC000087672821 472344014 /nfs/dbraw/zinc/34/40/14/472344014.db2.gz YYMMNYLBPYNAGV-UHFFFAOYSA-N -2 3 339.866 2.961 20 0 EFADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000087672998 472344022 /nfs/dbraw/zinc/34/40/22/472344022.db2.gz CIVBCDYAHACPGP-BDAKNGLRSA-N -2 3 339.866 2.959 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CC#N)cc2)cc1C(=O)[O-] ZINC000029972240 472310064 /nfs/dbraw/zinc/31/00/64/472310064.db2.gz PHFWVPVLTWYUHG-UHFFFAOYSA-N -2 3 330.365 2.560 20 0 EFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000087492279 472340392 /nfs/dbraw/zinc/34/03/92/472340392.db2.gz DYVFWCQPKWRJLE-NSHDSACASA-N -2 3 340.228 2.629 20 0 EFADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000031666155 472387207 /nfs/dbraw/zinc/38/72/07/472387207.db2.gz ILWHPUPPYDVPGC-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000031665492 472387527 /nfs/dbraw/zinc/38/75/27/472387527.db2.gz GMHUHXQLNLUPMK-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1C ZINC000031665393 472387698 /nfs/dbraw/zinc/38/76/98/472387698.db2.gz RVWHAWCSFKXVQY-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000031666469 472387767 /nfs/dbraw/zinc/38/77/67/472387767.db2.gz MGJGUUGEORIUQJ-UHFFFAOYSA-N -2 3 335.381 2.762 20 0 EFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000097064016 472432487 /nfs/dbraw/zinc/43/24/87/472432487.db2.gz CCUOGYGVWURROQ-SFYZADRCSA-N -2 3 338.212 2.525 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)cc1C ZINC000032586457 472445609 /nfs/dbraw/zinc/44/56/09/472445609.db2.gz IQNDSLZVVUAJNI-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CCCc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000032595506 472445683 /nfs/dbraw/zinc/44/56/83/472445683.db2.gz AGWALTJWCWYROY-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000046072832 472507343 /nfs/dbraw/zinc/50/73/43/472507343.db2.gz BUIJJDOISSEZRB-UHFFFAOYSA-N -2 3 335.381 2.973 20 0 EFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000071415376 472550013 /nfs/dbraw/zinc/55/00/13/472550013.db2.gz IEJUBXCWAWFISO-UHFFFAOYSA-N -2 3 333.337 2.834 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc3ncccc32)c1 ZINC000058345386 472552631 /nfs/dbraw/zinc/55/26/31/472552631.db2.gz DSNCVASGWVIWRG-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cnn(-c2ccccc2)c1 ZINC000131517775 472675873 /nfs/dbraw/zinc/67/58/73/472675873.db2.gz USBHGKXLHCTZEP-UHFFFAOYSA-N -2 3 333.344 2.518 20 0 EFADHL C[C@@H]1C[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000131766162 472691464 /nfs/dbraw/zinc/69/14/64/472691464.db2.gz LWPZWMQDYORRGQ-RNFRBKRXSA-N -2 3 338.212 2.626 20 0 EFADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000134700625 472954755 /nfs/dbraw/zinc/95/47/55/472954755.db2.gz AJJWHYWKAVHCMT-QMMMGPOBSA-N -2 3 339.866 2.959 20 0 EFADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)n1 ZINC000080265929 473006323 /nfs/dbraw/zinc/00/63/23/473006323.db2.gz FHSFHOWKRFSTCT-MRVPVSSYSA-N -2 3 346.455 2.559 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1C ZINC000065844611 473017453 /nfs/dbraw/zinc/01/74/53/473017453.db2.gz SSTAITABHLFOGB-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000136254820 473147237 /nfs/dbraw/zinc/14/72/37/473147237.db2.gz PZBCCIJHVWMFAR-LLVKDONJSA-N -2 3 340.228 2.771 20 0 EFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000136736769 473175260 /nfs/dbraw/zinc/17/52/60/473175260.db2.gz KWZTWXAWNOVRTE-NSHDSACASA-N -2 3 337.800 2.647 20 0 EFADHL Cc1cnc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)s1 ZINC000123713124 473176367 /nfs/dbraw/zinc/17/63/67/473176367.db2.gz RELRDSZTYZFHLC-ZETCQYMHSA-N -2 3 346.455 2.559 20 0 EFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000094744617 473186862 /nfs/dbraw/zinc/18/68/62/473186862.db2.gz AEFORVKMSZCHOW-BDAKNGLRSA-N -2 3 337.850 2.713 20 0 EFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000123909361 473196958 /nfs/dbraw/zinc/19/69/58/473196958.db2.gz VSHXCOVGNQEPOV-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000123916821 473197739 /nfs/dbraw/zinc/19/77/39/473197739.db2.gz NSFPBMSBNFVKFY-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000165040930 473505486 /nfs/dbraw/zinc/50/54/86/473505486.db2.gz JHYDTNBJAJQIPD-UHFFFAOYSA-N -2 3 337.800 2.648 20 0 EFADHL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000153529733 473628921 /nfs/dbraw/zinc/62/89/21/473628921.db2.gz ZMVXACMRMSMWLX-UHFFFAOYSA-N -2 3 340.788 2.669 20 0 EFADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2ccc(F)cc2F)n[n-]1 ZINC000154100990 473667375 /nfs/dbraw/zinc/66/73/75/473667375.db2.gz JUYORMQTFNUOGV-UHFFFAOYSA-N -2 3 348.400 2.525 20 0 EFADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(Cl)cc1[O-] ZINC000179639731 473702319 /nfs/dbraw/zinc/70/23/19/473702319.db2.gz QUYMPGSDRMORAP-UHFFFAOYSA-N -2 3 335.791 2.987 20 0 EFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000262642112 473705617 /nfs/dbraw/zinc/70/56/17/473705617.db2.gz PPIMIXNQCJTHDN-JTQLQIEISA-N -2 3 340.228 2.771 20 0 EFADHL O=C([O-])[C@@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000287639919 473720052 /nfs/dbraw/zinc/72/00/52/473720052.db2.gz ULIUWMDRYIEUQG-SNVBAGLBSA-N -2 3 338.212 2.525 20 0 EFADHL Cc1ccc(CS(=O)(=O)[N-]c2n[n-]c(SC(C)C)n2)c(F)c1 ZINC000194593738 473922581 /nfs/dbraw/zinc/92/25/81/473922581.db2.gz ZQJSNRMIFSRMMV-UHFFFAOYSA-N -2 3 344.437 2.695 20 0 EFADHL Cc1nn(C(C)C)cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000282261594 474001094 /nfs/dbraw/zinc/00/10/94/474001094.db2.gz UOPGDESCWRASPO-FNORWQNLSA-N -2 3 330.388 2.764 20 0 EFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000275032709 474048503 /nfs/dbraw/zinc/04/85/03/474048503.db2.gz CURNGFPVKKOCBS-QMMMGPOBSA-N -2 3 337.800 2.647 20 0 EFADHL O=C(/C=C/c1cncc([O-])c1)NCc1ccc([O-])c(Br)c1 ZINC000182132407 474107065 /nfs/dbraw/zinc/10/70/65/474107065.db2.gz ZMSWBOIUZTUNPZ-DUXPYHPUSA-N -2 3 349.184 2.585 20 0 EFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cnc(-c2ccccc2)nc1 ZINC000188490722 474109080 /nfs/dbraw/zinc/10/90/80/474109080.db2.gz YTSSSQHSBSKEJR-UHFFFAOYSA-N -2 3 345.355 2.789 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC2(C(=O)[O-])CCCC2)sc1Cl ZINC000231807771 474263956 /nfs/dbraw/zinc/26/39/56/474263956.db2.gz BJVLERWNVWSJQZ-UHFFFAOYSA-N -2 3 337.850 2.633 20 0 EFADHL CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000236948246 474308864 /nfs/dbraw/zinc/30/88/64/474308864.db2.gz ZDMDWJWQBWJVBN-PWSUYJOCSA-N -2 3 329.393 2.771 20 0 EFADHL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000265813757 474348323 /nfs/dbraw/zinc/34/83/23/474348323.db2.gz AKSYMZCVEDKNTA-LBPRGKRZSA-N -2 3 341.429 2.819 20 0 EFADHL CC(C)C[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000184853542 474621231 /nfs/dbraw/zinc/62/12/31/474621231.db2.gz JJZBVSGRIKIIEW-UHFFFAOYSA-N -2 3 326.201 2.626 20 0 EFADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(CC(=O)[O-])c1 ZINC000340909645 474769846 /nfs/dbraw/zinc/76/98/46/474769846.db2.gz ZYWSNIUWSSEHEE-UHFFFAOYSA-N -2 3 349.408 2.686 20 0 EFADHL CC[C@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000314752671 474866236 /nfs/dbraw/zinc/86/62/36/474866236.db2.gz FGQNLDNVIGYTSO-DTWKUNHWSA-N -2 3 349.836 2.760 20 0 EFADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1 ZINC000314724459 474866300 /nfs/dbraw/zinc/86/63/00/474866300.db2.gz POFUNAGGYBSOHC-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)cc1F ZINC000318747303 474893690 /nfs/dbraw/zinc/89/36/90/474893690.db2.gz BGLZHQYXYVSKRV-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1C ZINC000319985072 474906542 /nfs/dbraw/zinc/90/65/42/474906542.db2.gz XRTLTJCSNZYGHL-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1F ZINC000320260026 474910374 /nfs/dbraw/zinc/91/03/74/474910374.db2.gz ZZNQFUXSFFQWBB-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1C(=O)[O-] ZINC000323508232 474949401 /nfs/dbraw/zinc/94/94/01/474949401.db2.gz ALFKPOXDYFKEJC-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCC(c3ccccc3)CC2)o1 ZINC000325118060 474982206 /nfs/dbraw/zinc/98/22/06/474982206.db2.gz PZJOUTOXGLRCBB-UHFFFAOYSA-N -2 3 349.408 2.983 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1C ZINC000326465098 475005982 /nfs/dbraw/zinc/00/59/82/475005982.db2.gz BYZYTIFQPFRBLD-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1C ZINC000326589129 475007349 /nfs/dbraw/zinc/00/73/49/475007349.db2.gz CQYGLMPMUDZUFI-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1Cc1nc(=O)c2sccc2[n-]1 ZINC000294284977 475065269 /nfs/dbraw/zinc/06/52/69/475065269.db2.gz ULCZFJILAZDTTD-JLLWLGSASA-N -2 3 333.413 2.615 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)c(C)c1C ZINC000357881592 475228177 /nfs/dbraw/zinc/22/81/77/475228177.db2.gz LFOIPOPLLKCUAV-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL CSc1cc2c(cc1[N-]C(=O)c1ccc(C(=O)[O-])o1)OCCO2 ZINC000347341370 475246284 /nfs/dbraw/zinc/24/62/84/475246284.db2.gz DUZLHOSEZQJSOB-UHFFFAOYSA-N -2 3 335.337 2.723 20 0 EFADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000296829204 475495655 /nfs/dbraw/zinc/49/56/55/475495655.db2.gz AZLVVFHTLOWHAV-AAEUAGOBSA-N -2 3 329.393 2.528 20 0 EFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000296850847 475505454 /nfs/dbraw/zinc/50/54/54/475505454.db2.gz CPGGUBAYLXZBAU-MRVPVSSYSA-N -2 3 340.228 2.915 20 0 EFADHL CC[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000296855855 475506727 /nfs/dbraw/zinc/50/67/27/475506727.db2.gz CVPPYKIKEJPVAP-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000297166601 475637245 /nfs/dbraw/zinc/63/72/45/475637245.db2.gz KCZNNILDAXLFTG-MRVPVSSYSA-N -2 3 340.228 2.915 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2cc(C)c(C)c(C(=O)[O-])c2)cc1 ZINC000348436241 475665032 /nfs/dbraw/zinc/66/50/32/475665032.db2.gz AECQKTNSGLMAJK-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CC[C@@H](CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000297324062 475706933 /nfs/dbraw/zinc/70/69/33/475706933.db2.gz XDRHIRYILAJCNC-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(C)c1)OCO2 ZINC000358875613 476004782 /nfs/dbraw/zinc/00/47/82/476004782.db2.gz KKKOGESJXZFHDA-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])c1F ZINC000362229807 476096040 /nfs/dbraw/zinc/09/60/40/476096040.db2.gz SPZLAVXITRSNBE-NSHDSACASA-N -2 3 331.409 2.692 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC000336876843 476162628 /nfs/dbraw/zinc/16/26/28/476162628.db2.gz KMUCCPXDOINKLT-UHFFFAOYSA-N -2 3 347.392 2.683 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC000336877305 476162784 /nfs/dbraw/zinc/16/27/84/476162784.db2.gz YLKADWOHKNXANH-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)c1 ZINC000357022791 476165368 /nfs/dbraw/zinc/16/53/68/476165368.db2.gz UTLAXZAJJYVCSM-UHFFFAOYSA-N -2 3 343.763 2.907 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3ncccc32)c(F)c1 ZINC000336881698 476172893 /nfs/dbraw/zinc/17/28/93/476172893.db2.gz UEXXKTJSHKWKRR-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL CCCC[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000359082411 476173277 /nfs/dbraw/zinc/17/32/77/476173277.db2.gz WXMLFPQZOAJERO-GFCCVEGCSA-N -2 3 343.376 2.802 20 0 EFADHL Cc1cc(Cl)cc([N-]S(=O)(=O)CCOCC(F)(F)F)c1[O-] ZINC000357143297 476262053 /nfs/dbraw/zinc/26/20/53/476262053.db2.gz IQHLKJQOSCGDLZ-UHFFFAOYSA-N -2 3 347.742 2.675 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2cc(F)cc(Cl)c2[O-])c(=O)[n-]1 ZINC000353855603 476302163 /nfs/dbraw/zinc/30/21/63/476302163.db2.gz DWIWVZGSODOBBL-UHFFFAOYSA-N -2 3 339.754 2.868 20 0 EFADHL CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc([O-])c(F)c3)no2)c1 ZINC000350833065 476305228 /nfs/dbraw/zinc/30/52/28/476305228.db2.gz IPZFWVBZHBLIRX-UHFFFAOYSA-N -2 3 329.287 2.912 20 0 EFADHL O=S(=O)([N-]c1cc(Cl)ccc1[O-])N1CCc2ccccc2C1 ZINC000353939140 476330928 /nfs/dbraw/zinc/33/09/28/476330928.db2.gz AFXSSOWXKRZWLS-UHFFFAOYSA-N -2 3 338.816 2.761 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)cc1C(=O)[O-] ZINC000357430024 476378381 /nfs/dbraw/zinc/37/83/81/476378381.db2.gz ZHSBVGUBSHFPKB-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000357701405 476546489 /nfs/dbraw/zinc/54/64/89/476546489.db2.gz STUDUDNGOMFUEB-LLVKDONJSA-N -2 3 347.392 2.817 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000387581504 476772697 /nfs/dbraw/zinc/77/26/97/476772697.db2.gz MJRDOKCIBLVRFK-TZMCWYRMSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000387699563 476773664 /nfs/dbraw/zinc/77/36/64/476773664.db2.gz OZWBECAESXGLJH-GXTWGEPZSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c(F)c1 ZINC000404969510 476924881 /nfs/dbraw/zinc/92/48/81/476924881.db2.gz NFCSHOLGBWKUFX-NWDGAFQWSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1ccc(-c2cc(=NC(=O)Cc3ccc([O-])cc3Cl)[nH][n-]2)o1 ZINC000447801398 477059269 /nfs/dbraw/zinc/05/92/69/477059269.db2.gz BYQWOLARBCMKPI-UHFFFAOYSA-N -2 3 331.759 2.940 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1 ZINC000432007244 477137752 /nfs/dbraw/zinc/13/77/52/477137752.db2.gz MEEXADYZHTVYLP-NSHDSACASA-N -2 3 329.352 2.916 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(OC)c2)c1 ZINC000432472943 477222450 /nfs/dbraw/zinc/22/24/50/477222450.db2.gz IAWOIWYTJARWQM-UHFFFAOYSA-N -2 3 343.788 2.864 20 0 EFADHL Cc1ccc(N(C)S(=O)(=O)c2cc(C)cc(C(=O)[O-])c2[O-])cc1 ZINC000436630033 477536894 /nfs/dbraw/zinc/53/68/94/477536894.db2.gz YSUHOSHWNZUSRN-UHFFFAOYSA-N -2 3 335.381 2.532 20 0 EFADHL CC(C)c1ccc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c([O-])c1 ZINC000436696828 477561599 /nfs/dbraw/zinc/56/15/99/477561599.db2.gz JMJNPSQQBZKFES-UHFFFAOYSA-N -2 3 331.372 2.624 20 0 EFADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N(C)c2ccc(C)c(C)c2)c1 ZINC000436717745 477568967 /nfs/dbraw/zinc/56/89/67/477568967.db2.gz CTLIKBOWSBMMGX-UHFFFAOYSA-N -2 3 349.408 2.841 20 0 EFADHL O=C(c1ccc2ccccc2c1[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000436772121 477585087 /nfs/dbraw/zinc/58/50/87/477585087.db2.gz JATBKAKPYFMZEP-LBPRGKRZSA-N -2 3 339.351 2.654 20 0 EFADHL CCOC(=O)c1cnc(C(C)=Cc2cc(F)c([O-])c(F)c2)[n-]c1=O ZINC000436816616 477599111 /nfs/dbraw/zinc/59/91/11/477599111.db2.gz PDFQJCJTYGBMDL-YWEYNIOJSA-N -2 3 336.294 2.903 20 0 EFADHL CCC(=O)c1ccc([O-])c(NC(=O)c2c(C)[n-]c(=O)nc2SC)c1 ZINC000436830597 477604566 /nfs/dbraw/zinc/60/45/66/477604566.db2.gz DCGFKBUWFUGETA-UHFFFAOYSA-N -2 3 347.396 2.763 20 0 EFADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C(F)(F)F)n[n-]2)c1 ZINC000436835016 477606176 /nfs/dbraw/zinc/60/61/76/477606176.db2.gz SHBOQDZLGXDXHX-UHFFFAOYSA-N -2 3 327.262 2.979 20 0 EFADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(C(F)(F)F)[n-]n2)c1 ZINC000436835016 477606179 /nfs/dbraw/zinc/60/61/79/477606179.db2.gz SHBOQDZLGXDXHX-UHFFFAOYSA-N -2 3 327.262 2.979 20 0 EFADHL COC(=O)c1cccc2nc(NC(=O)c3ccc(Cl)cc3[O-])[n-]c21 ZINC000436886244 477625129 /nfs/dbraw/zinc/62/51/29/477625129.db2.gz RKZIFYDDUIMBGA-UHFFFAOYSA-N -2 3 345.742 2.961 20 0 EFADHL COC(=O)c1cccc2[n-]c(NC(=O)c3ccc(Cl)cc3[O-])nc21 ZINC000436886244 477625131 /nfs/dbraw/zinc/62/51/31/477625131.db2.gz RKZIFYDDUIMBGA-UHFFFAOYSA-N -2 3 345.742 2.961 20 0 EFADHL O=C(Nc1nnc(-c2ccco2)[n-]1)c1cc(Br)ccc1[O-] ZINC000436902044 477631406 /nfs/dbraw/zinc/63/14/06/477631406.db2.gz SGZPFVXYOUWTBK-UHFFFAOYSA-N -2 3 349.144 2.785 20 0 EFADHL O=C(Nc1nc(-c2ccco2)n[n-]1)c1cc(Br)ccc1[O-] ZINC000436902044 477631412 /nfs/dbraw/zinc/63/14/12/477631412.db2.gz SGZPFVXYOUWTBK-UHFFFAOYSA-N -2 3 349.144 2.785 20 0 EFADHL O=C(Nc1n[n-]c(-c2ccco2)n1)c1cc(Br)ccc1[O-] ZINC000436902044 477631419 /nfs/dbraw/zinc/63/14/19/477631419.db2.gz SGZPFVXYOUWTBK-UHFFFAOYSA-N -2 3 349.144 2.785 20 0 EFADHL CCCc1ccc(S(=O)(=O)[N-]c2cc([O-])ccc2C(=O)OC)cc1 ZINC000463378710 477932676 /nfs/dbraw/zinc/93/26/76/477932676.db2.gz BFQNMXFSWZOTEI-UHFFFAOYSA-N -2 3 349.408 2.932 20 0 EFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC000516536118 477945862 /nfs/dbraw/zinc/94/58/62/477945862.db2.gz QUXFAQKOIVFDOS-MWLCHTKSSA-N -2 3 349.836 2.516 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2ccc(F)cc2)c1C(=O)[O-] ZINC000532648292 477964114 /nfs/dbraw/zinc/96/41/14/477964114.db2.gz HTWLYRFHWQANIV-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000421143915 477978007 /nfs/dbraw/zinc/97/80/07/477978007.db2.gz BAWZPWIYIRWTNY-AWEZNQCLSA-N -2 3 339.388 2.531 20 0 EFADHL CC[C@H](CS(=O)(=O)[N-]c1ccc(C[C@H](CC)C(=O)[O-])cc1)OC ZINC000421150385 477983819 /nfs/dbraw/zinc/98/38/19/477983819.db2.gz IMIOZZPQSDNLLR-DZGCQCFKSA-N -2 3 343.445 2.507 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000560420932 478071893 /nfs/dbraw/zinc/07/18/93/478071893.db2.gz NYXIQPHHOMATNV-SNAWJCMRSA-N -3 3 342.351 2.603 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])c(F)c1 ZINC000560480679 478090542 /nfs/dbraw/zinc/09/05/42/478090542.db2.gz GDTMNUQHAVSZFZ-GXTWGEPZSA-N -2 3 343.420 2.836 20 0 EFADHL CCOC(=O)c1cccc(S(=O)(=O)[N-]c2cccc([O-])c2F)c1 ZINC000536611113 478262216 /nfs/dbraw/zinc/26/22/16/478262216.db2.gz SRABLFJUOSRWGZ-UHFFFAOYSA-N -2 3 339.344 2.509 20 0 EFADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000562651865 478298776 /nfs/dbraw/zinc/29/87/76/478298776.db2.gz UNHXWQFWJLRKEN-NSHDSACASA-N -2 3 339.388 2.758 20 0 EFADHL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc([O-])c1F ZINC000562937588 478387343 /nfs/dbraw/zinc/38/73/43/478387343.db2.gz LXOUKNWOEHIEIN-ZDUSSCGKSA-N -2 3 339.388 2.531 20 0 EFADHL CC[C@](C)([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000563070270 478439123 /nfs/dbraw/zinc/43/91/23/478439123.db2.gz ZPOHCBPHCHLZNY-AWEZNQCLSA-N -2 3 345.804 2.926 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)CCc2ccccc2)cc1C(=O)[O-] ZINC000563075299 478440865 /nfs/dbraw/zinc/44/08/65/478440865.db2.gz QTUDQVYCNKRATK-LLVKDONJSA-N -2 3 337.397 2.586 20 0 EFADHL COc1cc(C(=O)N=c2nc(Cc3ccccc3)[n-]s2)ccc1[O-] ZINC000581996508 478484940 /nfs/dbraw/zinc/48/49/40/478484940.db2.gz KRVDFORYKPOOEB-UHFFFAOYSA-N -2 3 341.392 2.517 20 0 EFADHL CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000563710307 478621313 /nfs/dbraw/zinc/62/13/13/478621313.db2.gz UOSLZHFAGIXTNQ-CYBMUJFWSA-N -2 3 339.438 2.746 20 0 EFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2c(Cl)ccc3ccccc32)CC1 ZINC000564538720 478756227 /nfs/dbraw/zinc/75/62/27/478756227.db2.gz AROJOSDHLZRITE-UHFFFAOYSA-N -2 3 339.800 2.636 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000584110927 479018651 /nfs/dbraw/zinc/01/86/51/479018651.db2.gz BBTYYOIIHJBFFY-KGLIPLIRSA-N -2 3 349.408 2.983 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000565597088 479041948 /nfs/dbraw/zinc/04/19/48/479041948.db2.gz KFOWLHUXMYKSLI-CQSZACIVSA-N -2 3 335.381 2.642 20 0 EFADHL Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000574200503 479239883 /nfs/dbraw/zinc/23/98/83/479239883.db2.gz TXLKAHNBTDCNQV-LLVKDONJSA-N -2 3 339.438 2.837 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)c1 ZINC000574319828 479265362 /nfs/dbraw/zinc/26/53/62/479265362.db2.gz RHCSYZLREWEICD-UHFFFAOYSA-N -2 3 349.408 2.768 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000575764595 479470698 /nfs/dbraw/zinc/47/06/98/479470698.db2.gz GSZZVISZSLCOFT-VXGBXAGGSA-N -2 3 331.459 2.758 20 0 EFADHL CCO[C@@H](CS(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-])C1CC1 ZINC000629288573 480201160 /nfs/dbraw/zinc/20/11/60/480201160.db2.gz CLDUCSWLXBOOAU-LBPRGKRZSA-N -2 3 347.820 2.595 20 0 EFADHL CCO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-])C1CC1 ZINC000629288062 480201258 /nfs/dbraw/zinc/20/12/58/480201258.db2.gz ALLCQIGAFOUDIA-CYBMUJFWSA-N -2 3 347.820 2.595 20 0 EFADHL CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl)C1CC1 ZINC000629293991 480203695 /nfs/dbraw/zinc/20/36/95/480203695.db2.gz SFASNOCSILYJCH-ZDUSSCGKSA-N -2 3 347.820 2.595 20 0 EFADHL CC(C)Cc1nc(=NC(=O)c2cc(-c3cccs3)[n-]n2)s[n-]1 ZINC000618347279 480628770 /nfs/dbraw/zinc/62/87/70/480628770.db2.gz ZSMPYAIHAWUCNY-UHFFFAOYSA-N -2 3 333.442 2.862 20 0 EFADHL CC(C)Cc1nc(=NC(=O)c2cc(-c3cccs3)n[n-]2)s[n-]1 ZINC000618347279 480628779 /nfs/dbraw/zinc/62/87/79/480628779.db2.gz ZSMPYAIHAWUCNY-UHFFFAOYSA-N -2 3 333.442 2.862 20 0 EFADHL CCC(CC)(C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000650231319 480949641 /nfs/dbraw/zinc/94/96/41/480949641.db2.gz KZYLOUXCVSUBRJ-UHFFFAOYSA-N -2 3 337.800 2.648 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)CCC(C)C ZINC000645941207 480979512 /nfs/dbraw/zinc/97/95/12/480979512.db2.gz TZFJJBQUDBWADQ-VIFPVBQESA-N -2 3 335.447 2.558 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C1(CC(=O)[O-])CCC1 ZINC000646018432 481024995 /nfs/dbraw/zinc/02/49/95/481024995.db2.gz LGYGMWZGJUUNSS-UHFFFAOYSA-N -2 3 341.360 2.556 20 0 EFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@H](CC(F)F)C(=O)[O-])sc21 ZINC000646046971 481038165 /nfs/dbraw/zinc/03/81/65/481038165.db2.gz SREDXGIJNIDURH-SECBINFHSA-N -2 3 349.380 2.596 20 0 EFADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2ccc(Cl)cc2)n[n-]1 ZINC000650453232 481104465 /nfs/dbraw/zinc/10/44/65/481104465.db2.gz CRZJHGFIORBINF-UHFFFAOYSA-N -2 3 346.865 2.901 20 0 EFADHL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000647922856 481184390 /nfs/dbraw/zinc/18/43/90/481184390.db2.gz KZWDOLHIPRTGBT-QWHCGFSZSA-N -2 3 347.820 2.738 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c1 ZINC000642376370 481202386 /nfs/dbraw/zinc/20/23/86/481202386.db2.gz TWRQNGSABJZELL-LLVKDONJSA-N -2 3 343.401 2.690 20 0 EFADHL CCC(CC)(C(=O)[O-])C(=O)N=c1cc(-c2cc(F)cc(F)c2)[n-][nH]1 ZINC000653298456 481210300 /nfs/dbraw/zinc/21/03/00/481210300.db2.gz LEEUKNGJEGHIBX-UHFFFAOYSA-N -2 3 337.326 2.606 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H](C)c2ccsc2)c1 ZINC000669820156 481322847 /nfs/dbraw/zinc/32/28/47/481322847.db2.gz SSZFDXCCROQBCS-VIFPVBQESA-N -2 3 343.401 2.933 20 0 EFADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3(C(=O)[O-])CCC3)c2)n1 ZINC000649242175 481992050 /nfs/dbraw/zinc/99/20/50/481992050.db2.gz CRRAWZRPZUGUAH-UHFFFAOYSA-N -2 3 341.367 2.605 20 0 EFADHL CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC000663117620 482078138 /nfs/dbraw/zinc/07/81/38/482078138.db2.gz ZTMQIGIANGHCDT-SNVBAGLBSA-N -2 3 330.178 2.840 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)oc1C(=O)[O-] ZINC000663420206 482223998 /nfs/dbraw/zinc/22/39/98/482223998.db2.gz FQAZNPDDGIVUCV-CQSZACIVSA-N -2 3 335.381 2.716 20 0 EFADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000184839468 500731818 /nfs/dbraw/zinc/73/18/18/500731818.db2.gz ONLSVUGGFAKJOX-LURJTMIESA-N -2 3 326.201 2.768 20 0 EFADHL C[C@H]1C[C@@H](C(=O)[O-])CN(Cc2cccc([O-])c2Br)C1 ZINC000263028987 524775439 /nfs/dbraw/zinc/77/54/39/524775439.db2.gz GRSUXMBAUCFEHM-GXSJLCMTSA-N -2 3 328.206 2.697 20 0 EFADHL Cc1cccc([C@@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000185058374 524822652 /nfs/dbraw/zinc/82/26/52/524822652.db2.gz BKHAKJLIBUPJDG-NSHDSACASA-N -2 3 339.438 2.837 20 0 EFADHL C[C@@H]1C[C@@H](C(=O)[O-])CN(Cc2cccc([O-])c2Br)C1 ZINC000263028989 525196015 /nfs/dbraw/zinc/19/60/15/525196015.db2.gz GRSUXMBAUCFEHM-MWLCHTKSSA-N -2 3 328.206 2.697 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)c(F)c1 ZINC000063009457 526379599 /nfs/dbraw/zinc/37/95/99/526379599.db2.gz LQEXZXMRZMKOAN-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccccc2Cl)c(F)c1 ZINC000174270685 526381799 /nfs/dbraw/zinc/38/17/99/526381799.db2.gz BZRFVUPNDVPQMY-UHFFFAOYSA-N -2 3 343.763 2.656 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1Cl ZINC000231656802 526382993 /nfs/dbraw/zinc/38/29/93/526382993.db2.gz RUEZZAIUQPFYFW-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1 ZINC000192701363 527638681 /nfs/dbraw/zinc/63/86/81/527638681.db2.gz YKYGUNKNOMHGKA-UHFFFAOYSA-N -2 3 343.763 2.907 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)C(F)F ZINC000414320366 535927677 /nfs/dbraw/zinc/92/76/77/535927677.db2.gz BPSPEDUVIIKMIT-VIFPVBQESA-N -2 3 341.763 2.669 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2cccc(C(=O)[O-])c2)sc1Cl ZINC000231806723 545564238 /nfs/dbraw/zinc/56/42/38/545564238.db2.gz GPTCVJXNDSLABE-UHFFFAOYSA-N -2 3 345.829 2.887 20 0 EFADHL O=C([O-])Cc1csc([N-]C(=O)c2cc(-c3ccccc3)on2)n1 ZINC000238142919 545570952 /nfs/dbraw/zinc/57/09/52/545570952.db2.gz UFUQUHABXHTYAI-UHFFFAOYSA-N -2 3 329.337 2.678 20 0 EFADHL COc1ccc([N-]S(=O)(=O)Cc2cc(C(C)(C)C)on2)c([O-])c1 ZINC000350827544 546033816 /nfs/dbraw/zinc/03/38/16/546033816.db2.gz CWAMQSKZZCTWQH-UHFFFAOYSA-N -2 3 340.401 2.628 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)c(C)c1 ZINC000507569721 546295907 /nfs/dbraw/zinc/29/59/07/546295907.db2.gz RXMIHLXCBWYRMN-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-])C1CCCC1 ZINC000656616508 546864004 /nfs/dbraw/zinc/86/40/04/546864004.db2.gz OBFQAZLPPSIVTE-AWEZNQCLSA-N -2 3 341.429 2.640 20 0 EFADHL COc1ccc([N-]S(=O)(=O)C[C@@H](OC)C2CCCCC2)c([O-])c1 ZINC000656629422 546869076 /nfs/dbraw/zinc/86/90/76/546869076.db2.gz VRYSFXWNDZJDQE-MRXNPFEDSA-N -2 3 343.445 2.738 20 0 EFADHL O=C([O-])c1cnc(-c2cc(F)ccc2OC[C@H]2CCOC2)c([O-])c1 ZINC000657204570 547065822 /nfs/dbraw/zinc/06/58/22/547065822.db2.gz LVFJPLVYIQMAAZ-JTQLQIEISA-N -2 3 333.315 2.707 20 0 EFADHL COc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(Cl)c1OC ZINC000670370036 547473494 /nfs/dbraw/zinc/47/34/94/547473494.db2.gz RWVPMTVUQCCMOD-ONEGZZNKSA-N -2 3 336.731 2.721 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc(OCC(F)(F)F)cc2)[n-]c1=O ZINC000670369941 547473684 /nfs/dbraw/zinc/47/36/84/547473684.db2.gz LZSMXAJEYQINQI-UTCJRWHESA-N -2 3 340.257 2.992 20 0 EFADHL CCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OCC ZINC000670370023 547473717 /nfs/dbraw/zinc/47/37/17/547473717.db2.gz RNWYDBMKIKCESP-SOFGYWHQSA-N -2 3 330.340 2.848 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc(Br)cc2F)[n-]c1=O ZINC000670369984 547473832 /nfs/dbraw/zinc/47/38/32/547473832.db2.gz OYBZQMDOMNCIOA-RQOWECAXSA-N -2 3 339.120 2.952 20 0 EFADHL COc1ccc(OCCS(=O)(=O)[N-]c2cccc(C)c2[O-])cc1 ZINC000674754353 548134725 /nfs/dbraw/zinc/13/47/25/548134725.db2.gz DLSNQCHKEWLXOV-UHFFFAOYSA-N -2 3 337.397 2.530 20 0 EFADHL COc1cc(F)c(S(=O)(=O)[N-]c2cccc([O-])c2F)c(F)c1 ZINC000678110064 548841952 /nfs/dbraw/zinc/84/19/52/548841952.db2.gz IKMXQFHEUJLINH-UHFFFAOYSA-N -2 3 333.287 2.619 20 0 EFADHL COc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000678110060 548842325 /nfs/dbraw/zinc/84/23/25/548842325.db2.gz HURJXZCNVURSBZ-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)c1 ZINC000678477777 548937133 /nfs/dbraw/zinc/93/71/33/548937133.db2.gz AEIVDPFWPSCJFD-UHFFFAOYSA-N -3 3 333.365 2.769 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCC(C)C)cc1C(=O)[O-] ZINC000761238230 576134784 /nfs/dbraw/zinc/13/47/84/576134784.db2.gz NOCAMHHFMPGNLU-NSHDSACASA-N -2 3 331.409 2.935 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000761264453 576137608 /nfs/dbraw/zinc/13/76/08/576137608.db2.gz JKPFMWIQNXNTCQ-KOLCDFICSA-N -2 3 329.393 2.689 20 0 EFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)C2)c1F ZINC000761264202 576137657 /nfs/dbraw/zinc/13/76/57/576137657.db2.gz DARDITHCXSILCG-JOYOIKCWSA-N -2 3 329.393 2.689 20 0 EFADHL O=C([O-])c1ccc(F)c(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c1 ZINC000766051678 577102145 /nfs/dbraw/zinc/10/21/45/577102145.db2.gz IVAPOLCEEQJVTF-UHFFFAOYSA-N -2 3 327.377 2.525 20 0 EFADHL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1F ZINC000769892004 577391929 /nfs/dbraw/zinc/39/19/29/577391929.db2.gz VFGRCSOHUZWJDH-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1 ZINC000321179431 597312741 /nfs/dbraw/zinc/31/27/41/597312741.db2.gz ZENLLYHRVXKUKG-UHFFFAOYSA-N -2 3 335.381 2.513 20 0 EFADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1C ZINC000818560060 597315230 /nfs/dbraw/zinc/31/52/30/597315230.db2.gz GZLQQPGSCQOGHJ-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL O=C([O-])CCN(Cc1ccccc1)Cc1nc(=O)c2sccc2[n-]1 ZINC000692492071 599712731 /nfs/dbraw/zinc/71/27/31/599712731.db2.gz AORICBPMCJMQMP-UHFFFAOYSA-N -2 3 343.408 2.874 20 0 EFADHL CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315635159 599769419 /nfs/dbraw/zinc/76/94/19/599769419.db2.gz YHTRTVMABQZUJL-QWRGUYRKSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315635156 599769489 /nfs/dbraw/zinc/76/94/89/599769489.db2.gz YHTRTVMABQZUJL-MNOVXSKESA-N -2 3 329.418 2.861 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2csc3ccccc23)o1 ZINC000740177145 599771419 /nfs/dbraw/zinc/77/14/19/599771419.db2.gz GWNOGSVXWZAJFX-UHFFFAOYSA-N -2 3 337.378 2.671 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1C(=O)[O-] ZINC000738746365 599853745 /nfs/dbraw/zinc/85/37/45/599853745.db2.gz XOQGNKUGZBGDTC-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL COc1ccc(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c([O-])c1 ZINC000324172991 599937037 /nfs/dbraw/zinc/93/70/37/599937037.db2.gz GCUFUYLEWFOTHI-HNNXBMFYSA-N -2 3 329.352 2.737 20 0 EFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(N(C)C)cc1 ZINC000389913022 600102934 /nfs/dbraw/zinc/10/29/34/600102934.db2.gz CEAKBXANBUGCED-UHFFFAOYSA-N -2 3 334.397 2.560 20 0 EFADHL Cc1ccc(/C=C/S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2O)cc1 ZINC000738582265 600177521 /nfs/dbraw/zinc/17/75/21/600177521.db2.gz FNBUAADBVUSONZ-MDZDMXLPSA-N -2 3 333.365 2.811 20 0 EFADHL C[C@@]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)(C(=O)[O-])C1CC1 ZINC000037375894 600239974 /nfs/dbraw/zinc/23/99/74/600239974.db2.gz FGKGRQSNFVERTQ-LBPRGKRZSA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])[C@H](OC(=O)c1cc(-c2ccco2)[n-]n1)c1ccc(F)cc1 ZINC000740289217 600449658 /nfs/dbraw/zinc/44/96/58/600449658.db2.gz DZBMZXMUQXWWEP-CQSZACIVSA-N -2 3 330.271 2.792 20 0 EFADHL O=C([O-])[C@H](OC(=O)c1cc(-c2ccco2)n[n-]1)c1ccc(F)cc1 ZINC000740289217 600449660 /nfs/dbraw/zinc/44/96/60/600449660.db2.gz DZBMZXMUQXWWEP-CQSZACIVSA-N -2 3 330.271 2.792 20 0 EFADHL O=C([O-])c1cn(CC(=O)NCc2ccc([O-])c(F)c2)c2ccccc12 ZINC000739358571 600465567 /nfs/dbraw/zinc/46/55/67/600465567.db2.gz BEIGJPCESDBCKW-UHFFFAOYSA-N -2 3 342.326 2.501 20 0 EFADHL O=C([O-])CCCOc1ccc(CNC(=O)c2ccccc2[O-])cc1 ZINC000739683331 600481707 /nfs/dbraw/zinc/48/17/07/600481707.db2.gz UQRAGPYMOSPHAM-UHFFFAOYSA-N -2 3 329.352 2.566 20 0 EFADHL Cc1ccc2oc(C(=O)[N-]c3nnc(CCC(=O)[O-])s3)cc2c1 ZINC000738680995 600629349 /nfs/dbraw/zinc/62/93/49/600629349.db2.gz PASYGSGZMNEZBB-UHFFFAOYSA-N -2 3 331.353 2.862 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3cccc(Cl)c3)CC2)o1 ZINC000740174418 600727995 /nfs/dbraw/zinc/72/79/95/600727995.db2.gz XLRZMOJGYAGINC-UHFFFAOYSA-N -2 3 341.772 2.599 20 0 EFADHL COc1ccc([O-])c(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1 ZINC000325317991 600851186 /nfs/dbraw/zinc/85/11/86/600851186.db2.gz CEEDUWXIPSVWCE-LLVKDONJSA-N -2 3 327.336 2.620 20 0 EFADHL COc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c([O-])c1 ZINC000832169897 601165317 /nfs/dbraw/zinc/16/53/17/601165317.db2.gz WJHHMOIBWTVXRA-BZNIZROVSA-N -2 3 329.352 2.593 20 0 EFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@H]1C ZINC000320024249 601227738 /nfs/dbraw/zinc/22/77/38/601227738.db2.gz OYTYNBQJDABTJG-WCABBAIRSA-N -2 3 347.383 2.766 20 0 EFADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@@H]1C ZINC000320024248 601227905 /nfs/dbraw/zinc/22/79/05/601227905.db2.gz OYTYNBQJDABTJG-KKZNHRDASA-N -2 3 347.383 2.766 20 0 EFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000314548100 601229883 /nfs/dbraw/zinc/22/98/83/601229883.db2.gz VBPVPYCBAPEADM-RKDXNWHRSA-N -2 3 333.356 2.520 20 0 EFADHL C[C@H]1CCC[C@H](C)C1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828234030 601236945 /nfs/dbraw/zinc/23/69/45/601236945.db2.gz UHIHOSXSJDWZRH-IUCAKERBSA-N -2 3 347.383 2.766 20 0 EFADHL CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000316011410 601238926 /nfs/dbraw/zinc/23/89/26/601238926.db2.gz RXRYROPNNPPJHI-RKDXNWHRSA-N -2 3 335.372 2.766 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c(C)c1 ZINC000325026200 601328552 /nfs/dbraw/zinc/32/85/52/601328552.db2.gz KJYJJWXLSIXHKK-BJMVGYQFSA-N -2 3 347.392 2.902 20 0 EFADHL CCCCC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000829340736 601403409 /nfs/dbraw/zinc/40/34/09/601403409.db2.gz RRJTUPKGQZGNCM-MRVPVSSYSA-N -2 3 325.839 2.713 20 0 EFADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCC1 ZINC000094291250 601443848 /nfs/dbraw/zinc/44/38/48/601443848.db2.gz ADWSHFPANYGAMI-UHFFFAOYSA-N -2 3 338.212 2.669 20 0 EFADHL CCC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCC1 ZINC000318833755 601524367 /nfs/dbraw/zinc/52/43/67/601524367.db2.gz LQGWGXLTMKDGBY-UHFFFAOYSA-N -2 3 333.356 2.522 20 0 EFADHL CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000388684980 601810105 /nfs/dbraw/zinc/81/01/05/601810105.db2.gz JMVHAYAJIMGOFI-WPRPVWTQSA-N -2 3 333.356 2.520 20 0 EFADHL CC1(C)CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391282035 601989210 /nfs/dbraw/zinc/98/92/10/601989210.db2.gz IJRXBSNQZASGJJ-LLVKDONJSA-N -2 3 347.383 2.910 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C(C)(C)CCC(=O)[O-] ZINC000261759182 602163009 /nfs/dbraw/zinc/16/30/09/602163009.db2.gz XMYUXMBDUPCCIN-UHFFFAOYSA-N -2 3 343.376 2.802 20 0 EFADHL CC(C)(C(=O)[O-])[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccccc1 ZINC000826103507 604391394 /nfs/dbraw/zinc/39/13/94/604391394.db2.gz RARYNWPBBNOPJJ-OAHLLOKOSA-N -2 3 329.352 2.680 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])cc1 ZINC000833662621 604745617 /nfs/dbraw/zinc/74/56/17/604745617.db2.gz IHGDLORPYFBHQF-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833425831 605016374 /nfs/dbraw/zinc/01/63/74/605016374.db2.gz QHVVPSSQLSGLPZ-ZJUUUORDSA-N -2 3 346.474 2.725 20 0 EFADHL CCn1c2ccc(-c3nnn[n-]3)cc2nc1-c1ccc(C(=O)[O-])cc1 ZINC000825782763 607975321 /nfs/dbraw/zinc/97/53/21/607975321.db2.gz OHFJXBQVSKIOAV-UHFFFAOYSA-N -2 3 334.339 2.602 20 0 EFADHL CCn1c2ccc(-c3nn[n-]n3)cc2nc1-c1ccc(C(=O)[O-])cc1 ZINC000825782763 607975322 /nfs/dbraw/zinc/97/53/22/607975322.db2.gz OHFJXBQVSKIOAV-UHFFFAOYSA-N -2 3 334.339 2.602 20 0 EFADHL C[C@]1(C(=O)[O-])CCC[C@@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000700690808 1269413175 /nfs/dbraw/zinc/41/31/75/1269413175.db2.gz ZKMWFRNQNIRZGN-FZMZJTMJSA-N -2 3 342.189 2.528 20 0 EFADHL CC(C)(C)[C@@H](CC(=O)[O-])NC(=O)c1cc([O-])cc(Br)c1 ZINC000700708684 1269441271 /nfs/dbraw/zinc/44/12/71/1269441271.db2.gz FAKVSKDIUQCNPF-LLVKDONJSA-N -2 3 344.205 2.774 20 0 EFADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000785724601 1275156485 /nfs/dbraw/zinc/15/64/85/1275156485.db2.gz FINXVSGEKKQXRG-VHSXEESVSA-N -2 3 347.383 2.910 20 0 EFADHL O=C([O-])c1ccccc1CCNC(=O)CCCc1ccc([O-])c(F)c1 ZINC000923130971 1276921095 /nfs/dbraw/zinc/92/10/95/1276921095.db2.gz ZGXPNYMSKNFLNI-UHFFFAOYSA-N -2 3 345.370 2.911 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2c(O)cccc2Cl)ccc1F ZINC000821111423 1277442881 /nfs/dbraw/zinc/44/28/81/1277442881.db2.gz KWCANVLXANKDTM-UHFFFAOYSA-N -2 3 345.735 2.684 20 0 EFADHL CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000871941471 1287371554 /nfs/dbraw/zinc/37/15/54/1287371554.db2.gz TYUSDTJHUMEWNZ-ZETCQYMHSA-N -2 3 345.364 2.764 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc(C(=O)[O-])c1Cl ZINC000871963217 1287376575 /nfs/dbraw/zinc/37/65/75/1287376575.db2.gz MHNSKDNHQQLRDM-LURJTMIESA-N -2 3 345.726 2.576 20 0 EFADHL CCC(=O)c1ccc([O-])c(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000812707954 1285384450 /nfs/dbraw/zinc/38/44/50/1285384450.db2.gz PRTMHXSHGCGNKA-UHFFFAOYSA-N -2 3 337.335 2.886 20 0 EFADHL COC([O-])=NC(=S)N(c1ccc(C(=O)[O-])cc1)c1ccccc1N ZINC001176714259 1288101891 /nfs/dbraw/zinc/10/18/91/1288101891.db2.gz LPRCGJWLPJZVIS-UHFFFAOYSA-N -2 3 345.380 2.746 20 0 EFADHL O=C(Nc1c(=O)[nH][n-]c1-c1ccccc1)c1nnc2ccccc2c1[O-] ZINC000816751725 1288262369 /nfs/dbraw/zinc/26/23/69/1288262369.db2.gz BBOBESJONBXEOR-UHFFFAOYSA-N -2 3 347.334 2.683 20 0 EFADHL O=S(=O)([N-][C@H]1[CH]CC=C1)c1ccc(Br)cc1Cl ZINC001184826458 1290533044 /nfs/dbraw/zinc/53/30/44/1290533044.db2.gz UZGIGEJTCHUPEZ-SECBINFHSA-N -2 3 335.630 2.914 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc(F)cnc2Cl)ccc1F ZINC001186143234 1290876233 /nfs/dbraw/zinc/87/62/33/1290876233.db2.gz DMBRJKIDDCWDFJ-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C2CC2)cc1 ZINC001190511577 1292193716 /nfs/dbraw/zinc/19/37/16/1292193716.db2.gz HNJDQDOHNSYPQN-UHFFFAOYSA-N -2 3 347.392 2.857 20 0 EFADHL CC(=O)c1cccc([N-]S(=O)(=O)C(Cl)(Cl)Cl)c1[O-] ZINC001192034587 1292756177 /nfs/dbraw/zinc/75/61/77/1292756177.db2.gz IXHXTVLIWPBOPC-UHFFFAOYSA-N -2 3 332.592 2.664 20 0 EFADHL O=C(Nc1nc(Br)ccc1[O-])c1cc([O-])cc(F)c1F ZINC001192651725 1292956677 /nfs/dbraw/zinc/95/66/77/1292956677.db2.gz KTCWJGGGUAFHGV-UHFFFAOYSA-N -2 3 345.099 2.786 20 0 EFADHL O=c1nc2cn[n-]c2c(O[C@H]2CCc3cc(C(F)(F)F)ccc32)[n-]1 ZINC001233942287 1313023108 /nfs/dbraw/zinc/02/31/08/1313023108.db2.gz ADPADOGBIIWLKC-NSHDSACASA-N -2 3 336.273 2.731 20 0 EFADHL CC1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001195187873 1293828624 /nfs/dbraw/zinc/82/86/24/1293828624.db2.gz ZNCDKKZNKHBOKL-UHFFFAOYSA-N -2 3 333.356 2.520 20 0 EFADHL CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195255113 1293863963 /nfs/dbraw/zinc/86/39/63/1293863963.db2.gz SSISJNRXKZWLHJ-RKDXNWHRSA-N -2 3 335.372 2.766 20 0 EFADHL C[C@H]1CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001195260554 1293865117 /nfs/dbraw/zinc/86/51/17/1293865117.db2.gz ZNCDKKZNKHBOKL-DTORHVGOSA-N -2 3 333.356 2.520 20 0 EFADHL Cc1c(Br)cccc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001196521169 1294268896 /nfs/dbraw/zinc/26/88/96/1294268896.db2.gz MLHXOJZEDSZYPS-UHFFFAOYSA-N -2 3 343.202 2.659 20 0 EFADHL CCCOc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198772557 1295243530 /nfs/dbraw/zinc/24/35/30/1295243530.db2.gz MJVXJCBDRALGBZ-UHFFFAOYSA-N -2 3 335.381 2.974 20 0 EFADHL CSc1ccc(NC(=S)NCCCCP(=O)([O-])[O-])cc1 ZINC001201189002 1296616560 /nfs/dbraw/zinc/61/65/60/1296616560.db2.gz HPGLUONKHABOBN-UHFFFAOYSA-N -2 3 334.403 2.653 20 0 EFADHL O=C(NCCCCP(=O)([O-])[O-])Nc1ccc(C(F)(F)F)cc1 ZINC001202421777 1297373436 /nfs/dbraw/zinc/37/34/36/1297373436.db2.gz ZTZCPLDWUJHNIL-UHFFFAOYSA-N -2 3 340.238 2.785 20 0 EFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)CC1CCCC1 ZINC000776553121 1299465570 /nfs/dbraw/zinc/46/55/70/1299465570.db2.gz RNGOZNYCFNHDHD-LLVKDONJSA-N -2 3 347.383 2.524 20 0 EFADHL Cc1nc(C=Cc2nc3c(s2)CCCC3)[n-]c(=O)c1CC(=O)[O-] ZINC000794715614 1303038286 /nfs/dbraw/zinc/03/82/86/1303038286.db2.gz VYXDMKGRKNJUOJ-SREVYHEPSA-N -2 3 331.397 2.623 20 0 EFADHL O=S(=O)([N-]c1ccccn1)c1ccc(-c2ccc(F)c([O-])c2)nc1 ZINC001243048210 1314255874 /nfs/dbraw/zinc/25/58/74/1314255874.db2.gz KQTKGRGFUBXPJI-UHFFFAOYSA-N -2 3 345.355 2.789 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])cc(F)c2C)ccc1N ZINC001210007308 1314270625 /nfs/dbraw/zinc/27/06/25/1314270625.db2.gz BUXDKNQGKTVHEF-UHFFFAOYSA-N -2 3 338.360 2.524 20 0 EFADHL CCOc1ccc(C(=O)[O-])cc1-c1cc(-c2nnn[n-]2)ccc1F ZINC001244420008 1314378558 /nfs/dbraw/zinc/37/85/58/1314378558.db2.gz HXARDAZFTLGZPJ-UHFFFAOYSA-N -2 3 328.303 2.770 20 0 EFADHL CCOc1ccc(C(=O)[O-])cc1-c1cc(-c2nn[n-]n2)ccc1F ZINC001244420008 1314378561 /nfs/dbraw/zinc/37/85/61/1314378561.db2.gz HXARDAZFTLGZPJ-UHFFFAOYSA-N -2 3 328.303 2.770 20 0 EFADHL O=C([O-])c1cc(F)c(-c2ccc3c(c2)CS(=O)(=O)[N-]3)c(F)c1 ZINC001222402511 1311125410 /nfs/dbraw/zinc/12/54/10/1311125410.db2.gz BEYCWIIEGFJFTD-UHFFFAOYSA-N -2 3 325.292 2.585 20 0 EFADHL C[C@H](OCCP(=O)([O-])[O-])c1c(F)cccc1Br ZINC001224601559 1311412338 /nfs/dbraw/zinc/41/23/38/1311412338.db2.gz IATQONOYBVAEEM-ZETCQYMHSA-N -2 3 327.086 2.844 20 0 EFADHL C[C@@H](OCCP(=O)([O-])[O-])c1c(F)cc(Br)cc1F ZINC001224603486 1311412387 /nfs/dbraw/zinc/41/23/87/1311412387.db2.gz YSWXOWISOQYRBN-ZCFIWIBFSA-N -2 3 345.076 2.983 20 0 EFADHL CC(C)(C)OC(=O)N1CC[C@@H](OCCP(=O)([O-])[O-])CC12CCC2 ZINC001224606307 1311412418 /nfs/dbraw/zinc/41/24/18/1311412418.db2.gz NVBKDCLUPQEHIW-GFCCVEGCSA-N -2 3 349.364 2.503 20 0 EFADHL O=C(c1cccs1)[C@@H](OCCP(=O)([O-])[O-])c1cccs1 ZINC001224607754 1311412585 /nfs/dbraw/zinc/41/25/85/1311412585.db2.gz UZZQPWXPHPXVIL-LBPRGKRZSA-N -2 3 332.339 2.928 20 0 EFADHL CCOC(=O)C[C@H](OCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001225019937 1311464951 /nfs/dbraw/zinc/46/49/51/1311464951.db2.gz COEBIDWAHGVNIW-AWEZNQCLSA-N -2 3 330.317 2.655 20 0 EFADHL C[C@H](COc1ccccc1)OCCCOCCCCP(=O)([O-])[O-] ZINC001225018890 1311465069 /nfs/dbraw/zinc/46/50/69/1311465069.db2.gz KYDQYJAQJSXSCD-OAHLLOKOSA-N -2 3 346.360 2.835 20 0 EFADHL O=c1nc2nc(Br)[n-]c2c(O[C@H]2CCc3ccccc32)[n-]1 ZINC001227593830 1311825817 /nfs/dbraw/zinc/82/58/17/1311825817.db2.gz HSWKXVFGHUVQJR-VIFPVBQESA-N -2 3 347.172 2.887 20 0 EFADHL C[C@H](Cc1ccccc1)Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227594650 1311825843 /nfs/dbraw/zinc/82/58/43/1311825843.db2.gz PGYZKNNJOFCBFJ-MRVPVSSYSA-N -2 3 349.188 2.831 20 0 EFADHL CC1(C)[C@@H]2C[C@@H](Oc3[n-]c(=O)nc4nc(Br)[n-]c43)C[C@@H]21 ZINC001227598710 1311826555 /nfs/dbraw/zinc/82/65/55/1311826555.db2.gz ZWSCVRLTTHFLBJ-POBXSPIYSA-N -2 3 339.193 2.634 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000324698513 1312179022 /nfs/dbraw/zinc/17/90/22/1312179022.db2.gz OYGMGEMJUDOYRI-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL O=Nc1c(=O)[n-]c(=O)[nH]c1Nc1cc(C(=O)[O-])c(Cl)cc1F ZINC001214739851 1314733519 /nfs/dbraw/zinc/73/35/19/1314733519.db2.gz FVLVDBARMNCDLD-UHFFFAOYSA-N -2 3 328.643 2.520 20 0 EFADHL O=c1c(O[C@H]2C[C@@H](O)C2)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218420977 1315193276 /nfs/dbraw/zinc/19/32/76/1315193276.db2.gz PQSIHLHGHDCZFT-BJHJDKERSA-N -2 3 340.331 2.773 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2ncc([O-])cc2Br)c1 ZINC001256872456 1316002485 /nfs/dbraw/zinc/00/24/85/1316002485.db2.gz FIVZNKDDLSKPFL-UHFFFAOYSA-N -2 3 343.202 2.659 20 0 EFADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cc(F)c(F)cc1F ZINC001259036659 1316200839 /nfs/dbraw/zinc/20/08/39/1316200839.db2.gz VRAQRBXECRXAHU-UHFFFAOYSA-N -2 3 338.694 2.659 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@H]3CC[C@@H]2C3)c(F)cc1Cl ZINC001259223281 1316221716 /nfs/dbraw/zinc/22/17/16/1316221716.db2.gz WQBZOOXKGYUHHU-JOAULVNJSA-N -2 3 347.795 2.644 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CC23CCCC3)c(F)cc1Cl ZINC001259224471 1316221721 /nfs/dbraw/zinc/22/17/21/1316221721.db2.gz IXJYTBLSNBKUPA-LBPRGKRZSA-N -2 3 347.795 2.788 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C(C)(C)C ZINC001259221991 1316221747 /nfs/dbraw/zinc/22/17/47/1316221747.db2.gz DKQKKGYPQZNOEM-ZETCQYMHSA-N -2 3 337.800 2.890 20 0 EFADHL C[C@H]1CC[C@H](C)C1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259226498 1316221788 /nfs/dbraw/zinc/22/17/88/1316221788.db2.gz UZHCTFXDUAPHMB-YUMQZZPRSA-N -2 3 349.811 2.890 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CC=CCC2)c(F)cc1Cl ZINC001259225599 1316221950 /nfs/dbraw/zinc/22/19/50/1316221950.db2.gz YAFNYJKWWJWNFP-QMMMGPOBSA-N -2 3 333.768 2.564 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259620402 1316263316 /nfs/dbraw/zinc/26/33/16/1316263316.db2.gz PKAHJLGQIIXGGO-UHFFFAOYSA-N -2 3 327.402 2.501 20 0 EFADHL CC(=O)c1cccc([N-]S(=O)(=O)CCc2cccc(F)c2)c1[O-] ZINC001259773127 1316276091 /nfs/dbraw/zinc/27/60/91/1316276091.db2.gz IGFVJKUFFPYRKB-UHFFFAOYSA-N -2 3 337.372 2.718 20 0 EFADHL O=S(=O)([N-]c1cc([O-])c(Cl)cc1F)c1ccc2c(c1)OCO2 ZINC001259849508 1316286764 /nfs/dbraw/zinc/28/67/64/1316286764.db2.gz XERRHNMVPJAZAO-UHFFFAOYSA-N -2 3 345.735 2.714 20 0 EFADHL COc1ccc(CS(=O)(=O)[N-]c2cccc(C(C)=O)c2[O-])cc1 ZINC001259900698 1316294871 /nfs/dbraw/zinc/29/48/71/1316294871.db2.gz LXIFHGHVCWFLTR-UHFFFAOYSA-N -2 3 335.381 2.545 20 0 EFADHL Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1c([S-])cccc1Cl ZINC001260111886 1316316709 /nfs/dbraw/zinc/31/67/09/1316316709.db2.gz WQIUQLCQKVNVDK-UHFFFAOYSA-N -2 3 331.850 2.780 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccccc2C2CC2)ccc1O ZINC001260392427 1316337072 /nfs/dbraw/zinc/33/70/72/1316337072.db2.gz UXYPNRQQIMXSFE-UHFFFAOYSA-N -2 3 333.365 2.769 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc(C3CC3)c2)ccc1O ZINC001260399513 1316337292 /nfs/dbraw/zinc/33/72/92/1316337292.db2.gz PJEWCFPAVQVLIW-UHFFFAOYSA-N -2 3 333.365 2.769 20 0 EFADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(-c2ccccn2)s1 ZINC001260527627 1316343622 /nfs/dbraw/zinc/34/36/22/1316343622.db2.gz CGWJLNHLGPFQQC-UHFFFAOYSA-N -2 3 333.394 2.712 20 0 EFADHL Cc1ccc(C(=O)Nc2cccc(-n3ccc(C(=O)[O-])n3)c2)c([O-])c1 ZINC001341309384 1332250637 /nfs/dbraw/zinc/25/06/37/1332250637.db2.gz OVCUAUNXUZTBSD-UHFFFAOYSA-N -2 3 337.335 2.837 20 0 EFADHL CC1(C(=O)[N-]c2ncc(Cc3ccc(-c4nnn[n-]4)cc3)s2)CC1 ZINC000820578239 1428964336 /nfs/dbraw/zinc/96/43/36/1428964336.db2.gz YRPZVCHTAXOZLQ-UHFFFAOYSA-N -2 3 340.412 2.653 20 0 EFADHL CC1(C(=O)[N-]c2ncc(Cc3ccc(-c4nn[n-]n4)cc3)s2)CC1 ZINC000820578239 1428964340 /nfs/dbraw/zinc/96/43/40/1428964340.db2.gz YRPZVCHTAXOZLQ-UHFFFAOYSA-N -2 3 340.412 2.653 20 0 EFADHL Cc1nc([N-]C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)sc1C ZINC000822449509 1427668723 /nfs/dbraw/zinc/66/87/23/1427668723.db2.gz BVMGMUBWBXEJRV-VIFPVBQESA-N -2 3 343.416 2.823 20 0 EFADHL Cc1nc([N-]C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)sc1C ZINC000822449509 1427668728 /nfs/dbraw/zinc/66/87/28/1427668728.db2.gz BVMGMUBWBXEJRV-VIFPVBQESA-N -2 3 343.416 2.823 20 0 EFADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1C ZINC000737223711 1427995500 /nfs/dbraw/zinc/99/55/00/1427995500.db2.gz CNIVTPUVINCBHX-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1C ZINC000737223711 1427995505 /nfs/dbraw/zinc/99/55/05/1427995505.db2.gz CNIVTPUVINCBHX-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL CC[C@@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000825049292 1442432882 /nfs/dbraw/zinc/43/28/82/1442432882.db2.gz AHPSUKWIRDUMBM-SECBINFHSA-N -2 3 328.401 2.975 20 0 EFADHL CC[C@@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000825049292 1442432885 /nfs/dbraw/zinc/43/28/85/1442432885.db2.gz AHPSUKWIRDUMBM-SECBINFHSA-N -2 3 328.401 2.975 20 0 EFADHL CCc1cnc([N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000821499018 1443814484 /nfs/dbraw/zinc/81/44/84/1443814484.db2.gz ANOXOZFESJBUOE-FPLPWBNLSA-N -2 3 326.385 2.538 20 0 EFADHL CCc1cnc([N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000821499018 1443814489 /nfs/dbraw/zinc/81/44/89/1443814489.db2.gz ANOXOZFESJBUOE-FPLPWBNLSA-N -2 3 326.385 2.538 20 0 EFADHL CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nn[n-]n2)ccc1C ZINC000736702912 1446301772 /nfs/dbraw/zinc/30/17/72/1446301772.db2.gz YWXCLHVUWMECEG-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL CCc1ccccc1[N-]S(=O)(=O)c1cc(-c2nnn[n-]2)ccc1C ZINC000736702912 1446301775 /nfs/dbraw/zinc/30/17/75/1446301775.db2.gz YWXCLHVUWMECEG-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL C[C@H](C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1)C1CC1 ZINC000824045141 1446554053 /nfs/dbraw/zinc/55/40/53/1446554053.db2.gz HASCSWRHHIHLAN-VIFPVBQESA-N -2 3 340.412 2.975 20 0 EFADHL C[C@H](C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)C1CC1 ZINC000824045141 1446554056 /nfs/dbraw/zinc/55/40/56/1446554056.db2.gz HASCSWRHHIHLAN-VIFPVBQESA-N -2 3 340.412 2.975 20 0 EFADHL O=C(OCc1cc(-c2nn[n-]n2)ccc1F)c1cccc(Cl)c1[O-] ZINC000826463941 1447262470 /nfs/dbraw/zinc/26/24/70/1447262470.db2.gz BCVQBFVVPFQUPT-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(OCc1cc(-c2nnn[n-]2)ccc1F)c1cccc(Cl)c1[O-] ZINC000826463941 1447262476 /nfs/dbraw/zinc/26/24/76/1447262476.db2.gz BCVQBFVVPFQUPT-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL CCCc1csc([N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)n1 ZINC000825348595 1449521179 /nfs/dbraw/zinc/52/11/79/1449521179.db2.gz RGJOXWLLFZWTSZ-HJWRWDBZSA-N -2 3 340.412 2.928 20 0 EFADHL CCCc1csc([N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)n1 ZINC000825348595 1449521183 /nfs/dbraw/zinc/52/11/83/1449521183.db2.gz RGJOXWLLFZWTSZ-HJWRWDBZSA-N -2 3 340.412 2.928 20 0 EFADHL CC(C)c1cnc([N-]C(=O)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000735931948 1450184197 /nfs/dbraw/zinc/18/41/97/1450184197.db2.gz GUUQBCKLVJRMIC-UHFFFAOYSA-N -2 3 328.401 2.628 20 0 EFADHL CC(C)c1cnc([N-]C(=O)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000735931948 1450184202 /nfs/dbraw/zinc/18/42/02/1450184202.db2.gz GUUQBCKLVJRMIC-UHFFFAOYSA-N -2 3 328.401 2.628 20 0 EFADHL C[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000235071566 715637446 /nfs/dbraw/zinc/63/74/46/715637446.db2.gz ICGUXDMHRHMDNQ-LURJTMIESA-N -2 3 345.726 2.657 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CCCCC1 ZINC000318324115 718929590 /nfs/dbraw/zinc/92/95/90/718929590.db2.gz WRWIAQDBBPSWSP-ZDUSSCGKSA-N -2 3 349.811 2.791 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@H](CC(C)C)C(=O)[O-])nc2)n1 ZINC000263522657 725852944 /nfs/dbraw/zinc/85/29/44/725852944.db2.gz RTKRMSSMIMWRTL-CYBMUJFWSA-N -2 3 330.388 2.718 20 0 EFADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000909676088 726070058 /nfs/dbraw/zinc/07/00/58/726070058.db2.gz ILOMKXVQVLNMHC-DCGLDWPTSA-N -2 3 335.375 2.566 20 0 EFADHL O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCCc1ccc([O-])c(F)c1 ZINC000908582799 727214494 /nfs/dbraw/zinc/21/44/94/727214494.db2.gz NEYZFMFREFITEM-INIZCTEOSA-N -2 3 345.370 2.666 20 0 EFADHL CC(C)CN(CCC(=O)[O-])C(=O)c1cc([O-])cc(Br)c1 ZINC000908853946 727275986 /nfs/dbraw/zinc/27/59/86/727275986.db2.gz GHRDKPQRCHCLTD-UHFFFAOYSA-N -2 3 344.205 2.728 20 0 EFADHL O=C([O-])C1CCC(NC(=O)c2cc([O-])cc(C(F)(F)F)c2)CC1 ZINC000909158974 727333445 /nfs/dbraw/zinc/33/34/45/727333445.db2.gz AUHSPGUQVUREDG-UHFFFAOYSA-N -2 3 331.290 2.784 20 0 EFADHL C[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909820963 727384005 /nfs/dbraw/zinc/38/40/05/727384005.db2.gz RHAPIHXHZUMAAY-DOMZBBRYSA-N -2 3 345.370 2.522 20 0 EFADHL CC(C)c1ncc(Cl)c(C(=O)[N-]N=c2cnc3ccccc3[n-]2)n1 ZINC000163590277 727394715 /nfs/dbraw/zinc/39/47/15/727394715.db2.gz ONROMVNCXHKFTP-UHFFFAOYSA-N -2 3 342.790 2.954 20 0 EFADHL CC(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)cc1[O-] ZINC000909963673 727399709 /nfs/dbraw/zinc/39/97/09/727399709.db2.gz ZUZOCBFIDNTQTN-HRCADAONSA-N -2 3 345.395 2.700 20 0 EFADHL O=C([O-])C[C@@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000909965590 727399920 /nfs/dbraw/zinc/39/99/20/727399920.db2.gz HCTNJBCBCJYZCU-JTQLQIEISA-N -2 3 331.290 2.642 20 0 EFADHL COc1ccc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)c([O-])c1 ZINC000910106385 727412836 /nfs/dbraw/zinc/41/28/36/727412836.db2.gz ZWPNROFARWZQBR-GFCCVEGCSA-N -2 3 348.380 2.533 20 0 EFADHL O=C([O-])[C@]12CCC[C@H]1N(C(=O)c1cc([O-])cc(C(F)(F)F)c1)CC2 ZINC000910394693 727438548 /nfs/dbraw/zinc/43/85/48/727438548.db2.gz ULEQEZSQWHLXFD-DOMZBBRYSA-N -2 3 343.301 2.880 20 0 EFADHL O=C([O-])C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccncc1 ZINC000911664893 727576389 /nfs/dbraw/zinc/57/63/89/727576389.db2.gz XVXGMKBXEYSBAM-HNNXBMFYSA-N -2 3 346.358 2.581 20 0 EFADHL COc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C)cc1F ZINC000322923417 970945985 /nfs/dbraw/zinc/94/59/85/970945985.db2.gz XDBBVBWBIUQHIH-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCC1 ZINC000325131991 971189315 /nfs/dbraw/zinc/18/93/15/971189315.db2.gz MDZLDBOHKVERLY-LLVKDONJSA-N -2 3 347.383 2.910 20 0 EFADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(F)c3)ccc2[nH]1 ZINC000326317397 971282599 /nfs/dbraw/zinc/28/25/99/971282599.db2.gz NHIKSCRNADZFGL-UHFFFAOYSA-N -2 3 349.343 2.509 20 0 EFADHL O=C([O-])C1(NC(=O)c2cc(=O)c3ccccc3[n-]2)CCCCCC1 ZINC000323842979 951054213 /nfs/dbraw/zinc/05/42/13/951054213.db2.gz AGFUTQMJZAWZHU-UHFFFAOYSA-N -2 3 328.368 2.848 20 0 EFADHL CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000324841565 951076080 /nfs/dbraw/zinc/07/60/80/951076080.db2.gz CIWPZSQJUAMZEN-GOSISDBHSA-N -2 3 328.368 2.657 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2cc(C)cc(C(=O)[O-])c2)c([O-])c1 ZINC001591176049 951083414 /nfs/dbraw/zinc/08/34/14/951083414.db2.gz CCVHHGKARXWMHJ-UHFFFAOYSA-N -2 3 343.335 2.828 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2c[n-]c3c(Cl)cccc3c2=O)ccn1 ZINC001595209735 952359045 /nfs/dbraw/zinc/35/90/45/952359045.db2.gz VIMDVUJDCQGLRK-UHFFFAOYSA-N -2 3 343.726 2.527 20 0 EFADHL CCc1ccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c([O-])c1 ZINC001593635243 953605645 /nfs/dbraw/zinc/60/56/45/953605645.db2.gz IVCJUDCMMBFVBU-HZPDHXFCSA-N -2 3 325.364 2.998 20 0 EFADHL O=C([O-])[C@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000819286999 955440909 /nfs/dbraw/zinc/44/09/09/955440909.db2.gz MMMBFLNGMJHAAW-VIFPVBQESA-N -2 3 345.380 2.563 20 0 EFADHL CC1(C)C[C@]1(C(=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC001589220072 956763010 /nfs/dbraw/zinc/76/30/10/956763010.db2.gz UYUWNHGZVFTRNT-CYBMUJFWSA-N -2 3 328.162 2.594 20 0 EFADHL Cn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1C(=O)[O-] ZINC000020012672 957126279 /nfs/dbraw/zinc/12/62/79/957126279.db2.gz XFWVPKZOEOOYRN-UHFFFAOYSA-N -2 3 349.195 2.831 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCCC1 ZINC000037463085 957302477 /nfs/dbraw/zinc/30/24/77/957302477.db2.gz MVMAAAFRZQHEGJ-UHFFFAOYSA-N -2 3 335.784 2.545 20 0 EFADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(F)cc1F ZINC000047317929 957454461 /nfs/dbraw/zinc/45/44/61/957454461.db2.gz BCSPJAABDXYYCU-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL CON(C(=O)c1cc(CCc2ccccc2)ccc1[O-])[C@H](C)C(=O)[O-] ZINC001594038923 957843736 /nfs/dbraw/zinc/84/37/36/957843736.db2.gz ZUWADDLOULWYEB-CYBMUJFWSA-N -2 3 343.379 2.654 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(OCC(=O)[O-])c2)c(C)c1 ZINC000391745030 972365051 /nfs/dbraw/zinc/36/50/51/972365051.db2.gz WXMXMISJTLSPCD-UHFFFAOYSA-N -2 3 349.408 2.876 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(=O)[n-]1 ZINC000392112365 972410654 /nfs/dbraw/zinc/41/06/54/972410654.db2.gz UGZGVFNZWCJEDP-UHFFFAOYSA-N -2 3 349.774 2.722 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CCCC2CC2)c1F ZINC000162742687 959218599 /nfs/dbraw/zinc/21/85/99/959218599.db2.gz YHPWZWGUIZEMHX-UHFFFAOYSA-N -2 3 335.784 2.646 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C(=O)[O-])sc1Cl ZINC000231807298 960205844 /nfs/dbraw/zinc/20/58/44/960205844.db2.gz BVCHDHJGBWFIPK-BDAKNGLRSA-N -2 3 337.850 2.632 20 0 EFADHL CC(C)CCCCCC[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000232539886 960281435 /nfs/dbraw/zinc/28/14/35/960281435.db2.gz LIJAMHONTYOEKU-UHFFFAOYSA-N -2 3 334.463 2.726 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001574257794 960548818 /nfs/dbraw/zinc/54/88/18/960548818.db2.gz QCEAGCSZLXVPLG-CQSZACIVSA-N -2 3 335.356 2.809 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cnc(Cl)cc2Cl)c1 ZINC001260184295 960696006 /nfs/dbraw/zinc/69/60/06/960696006.db2.gz YJYSOVRVNWSHLT-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL Cc1cccnc1C(F)(F)C(=O)[N-][C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001574408460 961270265 /nfs/dbraw/zinc/27/02/65/961270265.db2.gz ZJEUVHTXTZUTJW-GFCCVEGCSA-N -2 3 338.285 2.563 20 0 EFADHL CCc1cccc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1[O-] ZINC001573960342 961681138 /nfs/dbraw/zinc/68/11/38/961681138.db2.gz DBOLWVHQRUHXEG-HZPDHXFCSA-N -2 3 325.364 2.998 20 0 EFADHL Cc1ccc(C(=O)N[C@H](C)[C@@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001571174952 962092038 /nfs/dbraw/zinc/09/20/38/962092038.db2.gz AENLUTFXBGEURS-CZUORRHYSA-N -2 3 327.380 2.762 20 0 EFADHL CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2occc2C(=O)[O-])CC1 ZINC001571187919 962231377 /nfs/dbraw/zinc/23/13/77/962231377.db2.gz RCCTYRVPADUHME-NEPJUHHUSA-N -2 3 329.418 2.861 20 0 EFADHL O=C([O-])C1([N-]C(=O)C(F)(F)c2c(F)cccc2F)CCCCC1 ZINC001574638957 962328856 /nfs/dbraw/zinc/32/88/56/962328856.db2.gz SMNWSKKSUYYTBA-UHFFFAOYSA-N -2 3 333.281 2.960 20 0 EFADHL Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000319602151 970551994 /nfs/dbraw/zinc/55/19/94/970551994.db2.gz MEQRZUPJVCWGLD-UHFFFAOYSA-N -2 3 335.381 2.649 20 0 EFADHL C[C@@H]1CC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C[C@H]1C ZINC000321323076 970761360 /nfs/dbraw/zinc/76/13/60/970761360.db2.gz OQKNOOUMZGBINS-OPRDCNLKSA-N -2 3 347.383 2.766 20 0 EFADHL C[C@]1(C(=O)[O-])CCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001603297193 972568238 /nfs/dbraw/zinc/56/82/38/972568238.db2.gz MBVLHMUATLXXPR-MRXNPFEDSA-N -2 3 337.759 2.591 20 0 EFADHL O=C([O-])c1c[nH]nc1NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001605873820 972648148 /nfs/dbraw/zinc/64/81/48/972648148.db2.gz OPRSNCHOQQHWOK-UHFFFAOYSA-N -2 3 337.335 2.657 20 0 EFADHL CC(C)[C@@]1(C)C[C@@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000397129172 972970291 /nfs/dbraw/zinc/97/02/91/972970291.db2.gz SZQCQOWFSYEBOO-SMDDNHRTSA-N -2 3 349.811 2.890 20 0 EFADHL CC1(C2([N-]S(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3F)CC2)CC1 ZINC000398186824 973080065 /nfs/dbraw/zinc/08/00/65/973080065.db2.gz UXQXVCCPUUKKLY-UHFFFAOYSA-N -2 3 347.795 2.788 20 0 EFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000400439356 973278791 /nfs/dbraw/zinc/27/87/91/973278791.db2.gz FHQYUKVHZIWMPZ-WPRPVWTQSA-N -2 3 337.800 2.647 20 0 EFADHL CCCCOc1ccc(C(=O)N2CCC[C@H](CC(=O)[O-])C2)c([O-])c1 ZINC001603649465 974012148 /nfs/dbraw/zinc/01/21/48/974012148.db2.gz XVJHKXZEDBWTJG-CYBMUJFWSA-N -2 3 335.400 2.898 20 0 EFADHL CC(C)c1sc(NC(=O)c2[n-]cnc2C(F)(F)F)nc1C(=O)[O-] ZINC001592115184 976912379 /nfs/dbraw/zinc/91/23/79/976912379.db2.gz TZEMCJNMPJQSKJ-UHFFFAOYSA-N -2 3 348.306 2.959 20 0 EFADHL CC(C)c1sc(NC(=O)c2nc[n-]c2C(F)(F)F)nc1C(=O)[O-] ZINC001592115184 976912387 /nfs/dbraw/zinc/91/23/87/976912387.db2.gz TZEMCJNMPJQSKJ-UHFFFAOYSA-N -2 3 348.306 2.959 20 0 EFADHL CC(C)n1cc(Cl)c([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)n1 ZINC001592131890 976971847 /nfs/dbraw/zinc/97/18/47/976971847.db2.gz SOYJIBQBJRGYJF-UHFFFAOYSA-N -2 3 349.840 2.504 20 0 EFADHL C[C@H](/C=C/C(=O)[O-])NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001592204702 977235354 /nfs/dbraw/zinc/23/53/54/977235354.db2.gz MFVRQKAKMOYAJI-OFFHKIPUSA-N -2 3 327.336 2.944 20 0 EFADHL C[C@H](CC[N-]S(=O)(=O)c1scnc1C(=O)[O-])CC(C)(C)C ZINC001592521489 978374848 /nfs/dbraw/zinc/37/48/48/978374848.db2.gz VQZADVWBACQCGN-SECBINFHSA-N -2 3 334.463 2.582 20 0 EFADHL O=C([O-])CCCc1nnc([N-]C(=O)c2cc(F)c(F)c(F)c2)s1 ZINC000739710800 978651559 /nfs/dbraw/zinc/65/15/59/978651559.db2.gz IQEJPHXYNUWOMD-UHFFFAOYSA-N -2 3 345.302 2.615 20 0 EFADHL COc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1F ZINC000795350192 978831744 /nfs/dbraw/zinc/83/17/44/978831744.db2.gz BCAVNVZEMLASEB-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL C[C@]1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCC[C@H]1C(=O)[O-] ZINC000833571038 979206050 /nfs/dbraw/zinc/20/60/50/979206050.db2.gz JTEPNZRKXVVAMH-XPTSAGLGSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001592896039 979794007 /nfs/dbraw/zinc/79/40/07/979794007.db2.gz DILWMJGLDBVKSF-SECBINFHSA-N -2 3 343.788 2.541 20 0 EFADHL CC[C@](NC(=O)c1ccc(C(C)=O)c([O-])c1)(C(=O)[O-])c1ccccc1 ZINC001595269262 980284431 /nfs/dbraw/zinc/28/44/31/980284431.db2.gz WNNUYTUGQMFHIJ-LJQANCHMSA-N -2 3 341.363 2.715 20 0 EFADHL CCC1CCC(NCc2nnc(-c3ccccc3[O-])o2)(C(=O)[O-])CC1 ZINC001595431391 981052522 /nfs/dbraw/zinc/05/25/22/981052522.db2.gz RCFATZQLGXOOHR-UHFFFAOYSA-N -2 3 345.399 2.955 20 0 EFADHL CC[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595450880 981104517 /nfs/dbraw/zinc/10/45/17/981104517.db2.gz DPWAXIJEGIIOGP-ZJUUUORDSA-N -2 3 347.383 2.768 20 0 EFADHL CCC(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001594801987 981899132 /nfs/dbraw/zinc/89/91/32/981899132.db2.gz UZIVCPFPBIKSMJ-UHFFFAOYSA-N -2 3 337.800 2.892 20 0 EFADHL CCCCC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC001595675953 982145046 /nfs/dbraw/zinc/14/50/46/982145046.db2.gz FHZMICYRCYNSLK-GFCCVEGCSA-N -2 3 344.205 2.918 20 0 EFADHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(F)(F)F ZINC001594921556 982470235 /nfs/dbraw/zinc/47/02/35/982470235.db2.gz RFTUCZKGJAZFPU-HZGVNTEJSA-N -2 3 345.364 2.702 20 0 EFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(F)(F)F ZINC001594921559 982470329 /nfs/dbraw/zinc/47/03/29/982470329.db2.gz RFTUCZKGJAZFPU-RCOVLWMOSA-N -2 3 345.364 2.702 20 0 EFADHL C=C/C=C/CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001588721676 983972937 /nfs/dbraw/zinc/97/29/37/983972937.db2.gz RMVRIRVTZSRUDR-ONEGZZNKSA-N -2 3 333.768 2.588 20 0 EFADHL CCOCCCN(Cc1c(F)ccc([O-])c1F)C[C@H](C)C(=O)[O-] ZINC001596915000 985936734 /nfs/dbraw/zinc/93/67/34/985936734.db2.gz OASWRAAMLGDPMT-NSHDSACASA-N -2 3 331.359 2.620 20 0 EFADHL C[C@H](C(=O)[O-])c1ccc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)cc1 ZINC001589523753 987192999 /nfs/dbraw/zinc/19/29/99/987192999.db2.gz RGYWKSPFKKOJRM-LBPRGKRZSA-N -2 3 348.424 2.742 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])C(F)(F)F ZINC001597292098 987386511 /nfs/dbraw/zinc/38/65/11/987386511.db2.gz SRZJFARVROPEKL-SECBINFHSA-N -2 3 345.726 2.657 20 0 EFADHL CCc1cc(=O)[n-]c(CN2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)n1 ZINC001597486824 987989995 /nfs/dbraw/zinc/98/99/95/987989995.db2.gz FETZGOUCVWVTPP-CQSZACIVSA-N -2 3 344.415 2.509 20 0 EFADHL CCc1cc(=O)[n-]c(CN[C@H](C(=O)[O-])c2cccc3ccccc32)n1 ZINC001597488173 987996559 /nfs/dbraw/zinc/99/65/59/987996559.db2.gz WDSMHMJGOFYJDS-SFHVURJKSA-N -2 3 337.379 2.813 20 0 EFADHL CCc1cc(=O)[n-]c(CN[C@@H](C(=O)[O-])c2cccc3ccccc32)n1 ZINC001597488172 987997109 /nfs/dbraw/zinc/99/71/09/987997109.db2.gz WDSMHMJGOFYJDS-GOSISDBHSA-N -2 3 337.379 2.813 20 0 EFADHL CSc1c(F)cc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cc1F ZINC001599806536 988264384 /nfs/dbraw/zinc/26/43/84/988264384.db2.gz YRGCGEWLWDUOJY-UHFFFAOYSA-N -2 3 339.385 2.539 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)c1 ZINC001597555668 988281990 /nfs/dbraw/zinc/28/19/90/988281990.db2.gz AOZHVXQWPCXCCC-INIZCTEOSA-N -2 3 345.326 2.586 20 0 EFADHL CCc1cccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c1[O-] ZINC001597576979 988370895 /nfs/dbraw/zinc/37/08/95/988370895.db2.gz XMBXQOAOJYGQSZ-JTQLQIEISA-N -2 3 346.408 2.853 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC001599819666 988489552 /nfs/dbraw/zinc/48/95/52/988489552.db2.gz BHKZZYNOJDQDDK-AWEZNQCLSA-N -2 3 331.393 2.540 20 0 EFADHL CSc1ccc([O-])c(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1 ZINC001599820425 988504370 /nfs/dbraw/zinc/50/43/70/988504370.db2.gz ZHGCNCVOLNDWDI-OAHLLOKOSA-N -2 3 343.404 2.938 20 0 EFADHL COc1cccc2c(C(=O)O[C@H](C(=O)[O-])c3ccsc3)n[n-]c21 ZINC001599689625 991046283 /nfs/dbraw/zinc/04/62/83/991046283.db2.gz PTNSRBJQPSRDEH-ZDUSSCGKSA-N -2 3 332.337 2.616 20 0 EFADHL CC(C)[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001591088248 991620383 /nfs/dbraw/zinc/62/03/83/991620383.db2.gz FWQDUCFRUNKOKJ-RYUDHWBXSA-N -2 3 329.418 2.861 20 0 EFADHL C[C@H](NC(=O)c1cc([O-])ccc1Cl)c1ncc(C(=O)[O-])s1 ZINC001593156778 993978328 /nfs/dbraw/zinc/97/83/28/993978328.db2.gz WPNANYKXKSDDMZ-LURJTMIESA-N -2 3 326.761 2.691 20 0 EFADHL C[C@@H](OC(=O)CCCc1ccc([O-])c(F)c1)c1nc(C(=O)[O-])co1 ZINC001593526026 995565942 /nfs/dbraw/zinc/56/59/42/995565942.db2.gz QJLPQQKKMFFPOL-SECBINFHSA-N -2 3 337.303 2.845 20 0 EFADHL C[C@@H](c1cc(F)ccc1F)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593687840 996128121 /nfs/dbraw/zinc/12/81/21/996128121.db2.gz TXUOERIZXIFTAI-CPLIBUAESA-N -2 3 339.338 2.523 20 0 EFADHL CC1(C)C[C@]1(C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001593865755 996671997 /nfs/dbraw/zinc/67/19/97/996671997.db2.gz VCVUMFJOJYTGAN-CQSZACIVSA-N -2 3 349.811 2.892 20 0 EFADHL C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001594359465 999358528 /nfs/dbraw/zinc/35/85/28/999358528.db2.gz IAGCTKRKRZZZQE-BDAKNGLRSA-N -2 3 349.811 2.892 20 0 EFADHL CCSc1cccc(F)c1[N-]C(=O)c1coc(-c2nn[n-]n2)c1 ZINC001578417841 1090366796 /nfs/dbraw/zinc/36/67/96/1090366796.db2.gz ZRVPHWMMWSKOGB-UHFFFAOYSA-N -2 3 333.348 2.963 20 0 EFADHL CC(=CC=Cc1ccc(F)cc1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588767936 1092986166 /nfs/dbraw/zinc/98/61/66/1092986166.db2.gz JAUVZXSYOIURIY-GZDBDKJZSA-N -2 3 338.346 2.514 20 0 EFADHL CC(=CC=Cc1ccc(F)cc1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588767936 1092986175 /nfs/dbraw/zinc/98/61/75/1092986175.db2.gz JAUVZXSYOIURIY-GZDBDKJZSA-N -2 3 338.346 2.514 20 0 EFADHL CC(C)[C@H](CNc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1)C(=O)[O-] ZINC001589456143 1093084611 /nfs/dbraw/zinc/08/46/11/1093084611.db2.gz ANAUAJFXJHBNNP-JTQLQIEISA-N -2 3 343.309 2.654 20 0 EFADHL CC(C)[C@H](CNc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1)C(=O)[O-] ZINC001589456143 1093084619 /nfs/dbraw/zinc/08/46/19/1093084619.db2.gz ANAUAJFXJHBNNP-JTQLQIEISA-N -2 3 343.309 2.654 20 0 EFADHL CC(C)[C@H]1CCc2[n-]n(Cc3ccc(-c4nn[n-]n4)cc3)c(=O)c2C1 ZINC001589501116 1093095931 /nfs/dbraw/zinc/09/59/31/1093095931.db2.gz BYAZLWWBYGLWBI-LSDHHAIUSA-N -2 3 338.415 2.637 20 0 EFADHL CC(C)[C@@H]1CCc2[n-]n(Cc3ccc(-c4nn[n-]n4)cc3)c(=O)c2C1 ZINC001589501112 1093096345 /nfs/dbraw/zinc/09/63/45/1093096345.db2.gz BYAZLWWBYGLWBI-CABCVRRESA-N -2 3 338.415 2.637 20 0 EFADHL C[C@H](CC(=O)[O-])n1cc(-c2ccc(C3CC3)c(-c3nnn[n-]3)c2)cn1 ZINC001589795790 1093151231 /nfs/dbraw/zinc/15/12/31/1093151231.db2.gz ZYMNPQUUGAABPK-SNVBAGLBSA-N -2 3 338.371 2.643 20 0 EFADHL C[C@H](CC(=O)[O-])n1cc(-c2ccc(C3CC3)c(-c3nn[n-]n3)c2)cn1 ZINC001589795790 1093151234 /nfs/dbraw/zinc/15/12/34/1093151234.db2.gz ZYMNPQUUGAABPK-SNVBAGLBSA-N -2 3 338.371 2.643 20 0 EFADHL C[C@]1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCCc2ccccc21 ZINC001590068623 1093249177 /nfs/dbraw/zinc/24/91/77/1093249177.db2.gz MMZYJGLCPRTWGO-IBGZPJMESA-N -2 3 349.394 2.571 20 0 EFADHL C[C@]1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCCc2ccccc21 ZINC001590068623 1093249183 /nfs/dbraw/zinc/24/91/83/1093249183.db2.gz MMZYJGLCPRTWGO-IBGZPJMESA-N -2 3 349.394 2.571 20 0 EFADHL Cc1cc(C=Cc2nc(C(=O)[O-])ccc2-c2nnn[n-]2)ccc1F ZINC001591958935 1093933635 /nfs/dbraw/zinc/93/36/35/1093933635.db2.gz IOHPFNKLFDVIBL-ZZXKWVIFSA-N -2 3 325.303 2.578 20 0 EFADHL Cc1cc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[n-]n2)ccc1F ZINC001591958935 1093933637 /nfs/dbraw/zinc/93/36/37/1093933637.db2.gz IOHPFNKLFDVIBL-ZZXKWVIFSA-N -2 3 325.303 2.578 20 0 EFADHL Cc1cc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ccc1-c1nnn[n-]1 ZINC001591970965 1093939064 /nfs/dbraw/zinc/93/90/64/1093939064.db2.gz XWWCRQXRROXZEK-DLBZAZTESA-N -2 3 349.394 2.975 20 0 EFADHL Cc1cc(CNc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)ccc1-c1nn[n-]n1 ZINC001591970965 1093939070 /nfs/dbraw/zinc/93/90/70/1093939070.db2.gz XWWCRQXRROXZEK-DLBZAZTESA-N -2 3 349.394 2.975 20 0 EFADHL Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1cc(Cl)ccc1[O-] ZINC001591987371 1093948792 /nfs/dbraw/zinc/94/87/92/1093948792.db2.gz UNGOYNVLWGCZST-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001593209271 1094239417 /nfs/dbraw/zinc/23/94/17/1094239417.db2.gz FNVMCHOSGFNUDI-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001593209271 1094239423 /nfs/dbraw/zinc/23/94/23/1094239423.db2.gz FNVMCHOSGFNUDI-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2cccc(F)c2-c2nnn[n-]2)s1 ZINC001593277218 1094261004 /nfs/dbraw/zinc/26/10/04/1094261004.db2.gz UPZHFPBODKQDRY-XGXWUAJZSA-N -2 3 343.343 2.731 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2cccc(F)c2-c2nn[n-]n2)s1 ZINC001593277218 1094261007 /nfs/dbraw/zinc/26/10/07/1094261007.db2.gz UPZHFPBODKQDRY-XGXWUAJZSA-N -2 3 343.343 2.731 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccc(Cl)cc2F)n1 ZINC001593284244 1094264665 /nfs/dbraw/zinc/26/46/65/1094264665.db2.gz ZPHPCJLNVSYCOK-GORDUTHDSA-N -2 3 345.721 2.923 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccc(Cl)cc2F)n1 ZINC001593284244 1094264668 /nfs/dbraw/zinc/26/46/68/1094264668.db2.gz ZPHPCJLNVSYCOK-GORDUTHDSA-N -2 3 345.721 2.923 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccc(Cl)s2)n1 ZINC001593282771 1094265340 /nfs/dbraw/zinc/26/53/40/1094265340.db2.gz DZYJIQCWSZRBPK-RJRFIUFISA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccc(Cl)s2)n1 ZINC001593282771 1094265344 /nfs/dbraw/zinc/26/53/44/1094265344.db2.gz DZYJIQCWSZRBPK-RJRFIUFISA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1cccc(C=Cc2cc(-c3nnn[n-]3)ccn2)c1Cl ZINC001593283152 1094265612 /nfs/dbraw/zinc/26/56/12/1094265612.db2.gz MHHOHGPZBMJUIG-PLNGDYQASA-N -2 3 327.731 2.784 20 0 EFADHL O=C([O-])c1cccc(C=Cc2cc(-c3nn[n-]n3)ccn2)c1Cl ZINC001593283152 1094265617 /nfs/dbraw/zinc/26/56/17/1094265617.db2.gz MHHOHGPZBMJUIG-PLNGDYQASA-N -2 3 327.731 2.784 20 0 EFADHL O=C([O-])c1cccc2oc(C=Cc3cccc(-c4nnn[n-]4)c3)nc21 ZINC001593283425 1094266049 /nfs/dbraw/zinc/26/60/49/1094266049.db2.gz RPZXPMXETDUWFW-FPLPWBNLSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1cccc2oc(C=Cc3cccc(-c4nn[n-]n4)c3)nc21 ZINC001593283425 1094266058 /nfs/dbraw/zinc/26/60/58/1094266058.db2.gz RPZXPMXETDUWFW-FPLPWBNLSA-N -2 3 333.307 2.877 20 0 EFADHL O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)c1cc([S-])ccc1F ZINC001593300504 1094273314 /nfs/dbraw/zinc/27/33/14/1094273314.db2.gz SLWMRBNTCHGTDQ-UHFFFAOYSA-N -2 3 348.334 2.791 20 0 EFADHL O=C(OCc1ccc(F)c(-c2nn[n-]n2)c1)c1cc([S-])ccc1F ZINC001593300504 1094273320 /nfs/dbraw/zinc/27/33/20/1094273320.db2.gz SLWMRBNTCHGTDQ-UHFFFAOYSA-N -2 3 348.334 2.791 20 0 EFADHL Cc1cc(OCCCC(=O)[N-]OCCCC(=O)[O-])ccc1Cl ZINC001600290523 1094948961 /nfs/dbraw/zinc/94/89/61/1094948961.db2.gz MQSHHGJTKDYKGX-UHFFFAOYSA-N -2 3 329.780 2.720 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC2CCCCCCC2)oc1C(=O)[O-] ZINC001600298964 1094954263 /nfs/dbraw/zinc/95/42/63/1094954263.db2.gz NTCMERJZYCBDQW-UHFFFAOYSA-N -2 3 329.418 2.925 20 0 EFADHL Cc1ccc(-c2cc(C(=O)OCc3cc(C(=O)[O-])c(C)o3)n[n-]2)o1 ZINC001600313504 1094962473 /nfs/dbraw/zinc/96/24/73/1094962473.db2.gz ZWRSKKALOWSXML-UHFFFAOYSA-N -2 3 330.296 2.935 20 0 EFADHL Cc1ccc(-c2cc(C(=O)OCc3cc(C(=O)[O-])c(C)o3)[n-]n2)o1 ZINC001600313504 1094962481 /nfs/dbraw/zinc/96/24/81/1094962481.db2.gz ZWRSKKALOWSXML-UHFFFAOYSA-N -2 3 330.296 2.935 20 0 EFADHL Cc1ccc(-c2cc(C(=O)O[C@@H]3C[C@H]4C[C@H](C(=O)[O-])C[C@H]43)n[n-]2)o1 ZINC001600312550 1094963239 /nfs/dbraw/zinc/96/32/39/1094963239.db2.gz GDJVSTYVZWEXIQ-JNIYBQFBSA-N -2 3 330.340 2.634 20 0 EFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](c1ccccc1)C(F)F ZINC001600836754 1095369157 /nfs/dbraw/zinc/36/91/57/1095369157.db2.gz QDAYTMQFSBWFMZ-GFCCVEGCSA-N -2 3 345.323 2.571 20 0 EFADHL Cc1oc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001600848188 1095377890 /nfs/dbraw/zinc/37/78/90/1095377890.db2.gz YDUOUGIRFFJYBB-UHFFFAOYSA-N -2 3 327.258 2.834 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C(C2CCC2)C2CCC2)cc1C(=O)[O-] ZINC001600855495 1095385684 /nfs/dbraw/zinc/38/56/84/1095385684.db2.gz LUHGEMVWMDNPMV-UHFFFAOYSA-N -2 3 327.402 2.533 20 0 EFADHL O=C([O-])c1csc(COC(=O)CCCc2ccc([O-])c(F)c2)n1 ZINC001601270168 1095588402 /nfs/dbraw/zinc/58/84/02/1095588402.db2.gz JYRJGZQNQMFDFY-UHFFFAOYSA-N -2 3 339.344 2.752 20 0 EFADHL O=C([O-])[C@H](NC(=O)c1cc(Oc2ccccc2)ccc1[O-])C1CC1 ZINC001601393580 1095651471 /nfs/dbraw/zinc/65/14/71/1095651471.db2.gz VBHHVRALUFBEMA-MRXNPFEDSA-N -2 3 327.336 2.778 20 0 EFADHL O=C([O-])C1(CS(=O)(=O)[N-]c2cc(F)cc(Cl)c2)CCCC1 ZINC001601716360 1095861618 /nfs/dbraw/zinc/86/16/18/1095861618.db2.gz SXAFXABKGCAHEI-UHFFFAOYSA-N -2 3 335.784 2.866 20 0 EFADHL O=C([O-])CSCc1cccc(NC([O-])=NO[C@H]2CCCCO2)c1 ZINC001602102574 1096063920 /nfs/dbraw/zinc/06/39/20/1096063920.db2.gz WGBVVOGBUOMASX-AWEZNQCLSA-N -2 3 340.401 2.584 20 0 EFADHL O=C([O-])CSCc1cccc(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC001602102574 1096063933 /nfs/dbraw/zinc/06/39/33/1096063933.db2.gz WGBVVOGBUOMASX-AWEZNQCLSA-N -2 3 340.401 2.584 20 0 EFADHL O=C([O-])[C@@H]1CN(Cc2ccc([O-])c(F)c2F)C[C@H]1c1ccc(O)cc1 ZINC001602188665 1096108828 /nfs/dbraw/zinc/10/88/28/1096108828.db2.gz INHUVOOWXPPDAC-UONOGXRCSA-N -2 3 349.333 2.676 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cccc(O)c2F)c1 ZINC001602264095 1096148388 /nfs/dbraw/zinc/14/83/88/1096148388.db2.gz IUQCYIRXIVCSSH-UHFFFAOYSA-N -2 3 345.735 2.684 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]3C[C@@H]32)c1F ZINC001602267132 1096150107 /nfs/dbraw/zinc/15/01/07/1096150107.db2.gz VKAYCNQOIGJCOW-POZPLHJXSA-N -2 3 347.795 2.644 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2cnc(C3CC3)[n-]c2=O)ccc1Cl ZINC001602286633 1096161439 /nfs/dbraw/zinc/16/14/39/1096161439.db2.gz RYXHUTOZJMBLKD-UHFFFAOYSA-N -2 3 333.731 2.664 20 0 EFADHL O=C([O-])c1ccc2[nH]cc(C(=O)COC(=O)c3ccc([O-])cc3)c2c1 ZINC001602410025 1096228408 /nfs/dbraw/zinc/22/84/08/1096228408.db2.gz WFFZLJKIEOVQPU-UHFFFAOYSA-N -2 3 339.303 2.611 20 0 EFADHL O=C([O-])c1ccc2cc(CCNC(=O)c3ccccc3[O-])oc2c1 ZINC001602428215 1096239697 /nfs/dbraw/zinc/23/96/97/1096239697.db2.gz MRLIKESUVSOPRT-UHFFFAOYSA-N -2 3 325.320 2.809 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCc2cc(Cl)ccc21 ZINC001602488894 1096270583 /nfs/dbraw/zinc/27/05/83/1096270583.db2.gz XPWXRQJYYFUERW-GFCCVEGCSA-N -2 3 341.772 2.597 20 0 EFADHL CC(=Cc1cnc(Cl)c(C)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602907363 1096397005 /nfs/dbraw/zinc/39/70/05/1096397005.db2.gz ZLRDUNZUYYAIFJ-YVMONPNESA-N -2 3 343.778 2.588 20 0 EFADHL CC(=Cc1cnc(Cl)c(C)c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602907363 1096397012 /nfs/dbraw/zinc/39/70/12/1096397012.db2.gz ZLRDUNZUYYAIFJ-YVMONPNESA-N -2 3 343.778 2.588 20 0 EFADHL CC(=Cc1ccsc1Cl)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602907276 1096397154 /nfs/dbraw/zinc/39/71/54/1096397154.db2.gz WNLWDZHXKJPGKF-WAYWQWQTSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1ccsc1Cl)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602907276 1096397161 /nfs/dbraw/zinc/39/71/61/1096397161.db2.gz WNLWDZHXKJPGKF-WAYWQWQTSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=O)Nc1ccc([O-])c(C(=O)NCC2(CC(=O)[O-])CCCCC2)c1 ZINC001603073966 1096432997 /nfs/dbraw/zinc/43/29/97/1096432997.db2.gz CLFDCVCFVIFRKK-UHFFFAOYSA-N -2 3 348.399 2.506 20 0 EFADHL CC(C)(Cc1ccccc1)C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001603157245 1096462315 /nfs/dbraw/zinc/46/23/15/1096462315.db2.gz GMFAKGMJMVQEKX-UHFFFAOYSA-N -2 3 337.383 2.546 20 0 EFADHL CC(C)(Cc1ccccc1)C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001603157245 1096462317 /nfs/dbraw/zinc/46/23/17/1096462317.db2.gz GMFAKGMJMVQEKX-UHFFFAOYSA-N -2 3 337.383 2.546 20 0 EFADHL CC(C)CN(C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1)c1ccccc1 ZINC001603287922 1096496016 /nfs/dbraw/zinc/49/60/16/1096496016.db2.gz CRDHJSPFHVZQQA-UHFFFAOYSA-N -2 3 337.383 2.875 20 0 EFADHL CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001603319255 1096503884 /nfs/dbraw/zinc/50/38/84/1096503884.db2.gz JWKZOZSZJUGCGR-RYUDHWBXSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)(CS(=O)(=O)[N-]c1ccc(F)cc1C(C)(F)F)C(=O)[O-] ZINC001603659488 1096579130 /nfs/dbraw/zinc/57/91/30/1096579130.db2.gz BINGRPCUPSEFMB-UHFFFAOYSA-N -2 3 339.335 2.790 20 0 EFADHL CC(C)[C@@H](C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001603716689 1096598628 /nfs/dbraw/zinc/59/86/28/1096598628.db2.gz LPBRBUWLCOKJNI-QMMMGPOBSA-N -2 3 337.800 2.748 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@H](C[C@@H]2CCCOC2)C(=O)[O-])c([O-])c1 ZINC001603997384 1096691367 /nfs/dbraw/zinc/69/13/67/1096691367.db2.gz YNZZQOGIRRJFSN-SWLSCSKDSA-N -2 3 335.400 2.515 20 0 EFADHL CC1(C)CCC[C@](NCc2nnc(-c3ccccc3[O-])o2)(C(=O)[O-])C1 ZINC001604529716 1096895666 /nfs/dbraw/zinc/89/56/66/1096895666.db2.gz HDNPXZVAJXGQAO-GOSISDBHSA-N -2 3 345.399 2.955 20 0 EFADHL CN(C(=O)c1ccc(Cl)c([O-])c1)c1cccc(-c2nn[n-]n2)c1 ZINC001604658114 1096925865 /nfs/dbraw/zinc/92/58/65/1096925865.db2.gz IPPGWGZFHMGYFN-UHFFFAOYSA-N -2 3 329.747 2.502 20 0 EFADHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(F)(F)F ZINC001604945108 1096985284 /nfs/dbraw/zinc/98/52/84/1096985284.db2.gz KORSWWXSWVOHTE-MUWHJKNJSA-N -2 3 345.364 2.702 20 0 EFADHL CCC(F)(F)C(=O)[N-][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC001605065194 1097014699 /nfs/dbraw/zinc/01/46/99/1097014699.db2.gz PIXWHCPUXKOLBD-VIFPVBQESA-N -2 3 336.132 2.736 20 0 EFADHL CC[C@](NC(=O)c1ccc(O)cc1[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001605085485 1097018395 /nfs/dbraw/zinc/01/83/95/1097018395.db2.gz AUMAWIXSJOYELC-QGZVFWFLSA-N -2 3 349.770 2.871 20 0 EFADHL CCC[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001605229617 1097061197 /nfs/dbraw/zinc/06/11/97/1097061197.db2.gz QWCZMIHDRONLMD-NWDGAFQWSA-N -2 3 329.418 2.863 20 0 EFADHL CCCCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])cn2)c([O-])c1 ZINC001605286221 1097082104 /nfs/dbraw/zinc/08/21/04/1097082104.db2.gz QDBNBSWVEHEWLL-UHFFFAOYSA-N -2 3 344.367 2.594 20 0 EFADHL CCO[C@@H]1C[C@@](NC(=O)c2ccc(C(C)C)cc2[O-])(C(=O)[O-])C1(C)C ZINC001605607995 1097169033 /nfs/dbraw/zinc/16/90/33/1097169033.db2.gz OLPKJYQCOVWPGE-DNVCBOLYSA-N -2 3 349.427 2.904 20 0 EFADHL CCc1ccc(C(=O)N2CCOc3c(cccc3C(=O)[O-])C2)c([O-])c1 ZINC001605805197 1097233113 /nfs/dbraw/zinc/23/31/13/1097233113.db2.gz UHSOCNKXHWHJOE-UHFFFAOYSA-N -2 3 341.363 2.688 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2CCOc3cc(C(=O)[O-])ccc3C2)c1 ZINC001605821467 1097238224 /nfs/dbraw/zinc/23/82/24/1097238224.db2.gz HPHCBONAQMVTPG-UHFFFAOYSA-N -2 3 341.363 2.688 20 0 EFADHL Cc1oc(-c2nnn[n-]2)cc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001606168301 1097335088 /nfs/dbraw/zinc/33/50/88/1097335088.db2.gz GCVPBERWTDXZLX-UHFFFAOYSA-N -2 3 337.698 2.519 20 0 EFADHL Cc1oc(-c2nn[n-]n2)cc1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC001606168301 1097335094 /nfs/dbraw/zinc/33/50/94/1097335094.db2.gz GCVPBERWTDXZLX-UHFFFAOYSA-N -2 3 337.698 2.519 20 0 EFADHL COC(=O)c1ccc(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)[n-]1 ZINC001606574520 1097420554 /nfs/dbraw/zinc/42/05/54/1097420554.db2.gz NTQMZLOYJWVVFP-UHFFFAOYSA-N -2 3 340.694 2.544 20 0 EFADHL O=C([O-])CCC1CCN(c2cc(Cl)ccc2-c2nnn[n-]2)CC1 ZINC001606960460 1097481768 /nfs/dbraw/zinc/48/17/68/1097481768.db2.gz IOLGMARKXCUSMH-UHFFFAOYSA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CCC1CCN(c2cc(Cl)ccc2-c2nn[n-]n2)CC1 ZINC001606960460 1097481770 /nfs/dbraw/zinc/48/17/70/1097481770.db2.gz IOLGMARKXCUSMH-UHFFFAOYSA-N -2 3 335.795 2.601 20 0 EFADHL O=C(OCc1ccccc1-c1nnn[n-]1)c1ccc([O-])c(Cl)c1 ZINC001606982598 1097489319 /nfs/dbraw/zinc/48/93/19/1097489319.db2.gz KJQFUWCLFZATKS-UHFFFAOYSA-N -2 3 330.731 2.583 20 0 EFADHL O=C(OCc1ccccc1-c1nn[n-]n1)c1ccc([O-])c(Cl)c1 ZINC001606982598 1097489322 /nfs/dbraw/zinc/48/93/22/1097489322.db2.gz KJQFUWCLFZATKS-UHFFFAOYSA-N -2 3 330.731 2.583 20 0 EFADHL O=c1c2c([n-]n1-c1cc(-c3nnn[n-]3)cc(Cl)n1)CCCCCC2 ZINC001607038227 1097501868 /nfs/dbraw/zinc/50/18/68/1097501868.db2.gz RBQOCGRYIUSZEO-SNVBAGLBSA-N -2 3 345.794 2.588 20 0 EFADHL O=c1c2c([n-]n1-c1cc(-c3nn[n-]n3)cc(Cl)n1)CCCCCC2 ZINC001607038227 1097501873 /nfs/dbraw/zinc/50/18/73/1097501873.db2.gz RBQOCGRYIUSZEO-SNVBAGLBSA-N -2 3 345.794 2.588 20 0 EFADHL COc1cccc(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1[O-] ZINC001607305083 1097591422 /nfs/dbraw/zinc/59/14/22/1097591422.db2.gz KIQHOCLMCZKDBU-UHFFFAOYSA-N -2 3 326.308 2.833 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])c1 ZINC001607410064 1097622617 /nfs/dbraw/zinc/62/26/17/1097622617.db2.gz MZYDBOAPDYEHOI-AWEZNQCLSA-N -2 3 349.383 2.679 20 0 EFADHL Cc1[nH]c(C(=O)[C@@H](C)OC(=O)c2cc3occc3[n-]2)c(C)c1C(=O)[O-] ZINC001607485821 1097639283 /nfs/dbraw/zinc/63/92/83/1097639283.db2.gz IGAXMYUXHMNXOH-SECBINFHSA-N -2 3 344.323 2.832 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c(C(=O)[O-])c1 ZINC001607822203 1097743993 /nfs/dbraw/zinc/74/39/93/1097743993.db2.gz ZIIJMFWFJBXPOK-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cc1cccc([O-])c1C(=O)N1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001607858105 1097755971 /nfs/dbraw/zinc/75/59/71/1097755971.db2.gz GYXQHZPAGGEHAG-LLVKDONJSA-N -2 3 346.408 2.875 20 0 EFADHL O=C([O-])[C@@H]1CC[C@@H]1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001608490433 1097931265 /nfs/dbraw/zinc/93/12/65/1097931265.db2.gz LLGBWWMEMGJLOJ-HIFRSBDPSA-N -2 3 327.336 2.778 20 0 EFADHL O=C([O-])[C@@H](CS(=O)(=O)[N-]c1cccc2[nH]ccc21)c1ccccc1 ZINC001608539577 1097944912 /nfs/dbraw/zinc/94/49/12/1097944912.db2.gz FNLLGKQZEZBRDR-AWEZNQCLSA-N -2 3 344.392 2.778 20 0 EFADHL O=C([O-])[C@@H](SCCc1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC001608556238 1097951805 /nfs/dbraw/zinc/95/18/05/1097951805.db2.gz CKJOUWXPCBBRRL-JTQLQIEISA-N -2 3 333.200 2.608 20 0 EFADHL O=C([O-])[C@@H](SCCc1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC001608556238 1097951813 /nfs/dbraw/zinc/95/18/13/1097951813.db2.gz CKJOUWXPCBBRRL-JTQLQIEISA-N -2 3 333.200 2.608 20 0 EFADHL O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC[C@@H](C(=O)[O-])C1 ZINC001608562031 1097954500 /nfs/dbraw/zinc/95/45/00/1097954500.db2.gz QTONCNPIOKHGGC-PELKAZGASA-N -2 3 332.183 2.916 20 0 EFADHL O=C([O-])[C@@H]1CCCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001608629638 1097970301 /nfs/dbraw/zinc/97/03/01/1097970301.db2.gz XWMDDAHXRSFYHS-LBPRGKRZSA-N -2 3 341.367 2.911 20 0 EFADHL O=C([O-])C[C@H]1CSCCN1C(=O)c1cc2sccc2c([O-])c1 ZINC001608703754 1097994421 /nfs/dbraw/zinc/99/44/21/1097994421.db2.gz NNPRPCABYNUQNA-JTQLQIEISA-N -2 3 337.422 2.639 20 0 EFADHL O=C([O-])CC[C@@H](CNCc1ccc(C(=O)[O-])cc1F)C(F)(F)F ZINC001608705703 1097995589 /nfs/dbraw/zinc/99/55/89/1097995589.db2.gz RJXAYXSFHPQXFH-JTQLQIEISA-N -2 3 337.269 2.657 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C[C@H]2CCCC23CC3)c1F ZINC001608828028 1098035552 /nfs/dbraw/zinc/03/55/52/1098035552.db2.gz JWWKULYBZSOIQF-SECBINFHSA-N -2 3 345.367 2.522 20 0 EFADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]c1cccc(O)c1F ZINC001608894154 1098062796 /nfs/dbraw/zinc/06/27/96/1098062796.db2.gz OWPHDSJPNYZNAM-UHFFFAOYSA-N -2 3 345.735 2.684 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccoc2)c1Br ZINC001608936281 1098081382 /nfs/dbraw/zinc/08/13/82/1098081382.db2.gz KFWLVKIOPZQJDN-UHFFFAOYSA-N -2 3 346.158 2.541 20 0 EFADHL O=C([O-])c1cncc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC001608980107 1098097408 /nfs/dbraw/zinc/09/74/08/1098097408.db2.gz KIAVUYDWJQUKFV-UHFFFAOYSA-N -2 3 349.306 2.563 20 0 EFADHL O=C([O-])c1cncc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC001608980107 1098097415 /nfs/dbraw/zinc/09/74/15/1098097415.db2.gz KIAVUYDWJQUKFV-UHFFFAOYSA-N -2 3 349.306 2.563 20 0 EFADHL O=C([O-])c1nsc([N-]C(=O)c2nc3ccccc3cc2Cl)n1 ZINC001609004346 1098106167 /nfs/dbraw/zinc/10/61/67/1098106167.db2.gz BZWHCHNGUHLABN-UHFFFAOYSA-N -2 3 334.744 2.690 20 0 EFADHL CC(=Cc1ccc2c(c1)CCC2)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060587 1098125798 /nfs/dbraw/zinc/12/57/98/1098125798.db2.gz RLYYBVUHDZDCNO-NTMALXAHSA-N -2 3 334.383 2.720 20 0 EFADHL CC(=Cc1ccc2c(c1)CCC2)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060587 1098125800 /nfs/dbraw/zinc/12/58/00/1098125800.db2.gz RLYYBVUHDZDCNO-NTMALXAHSA-N -2 3 334.383 2.720 20 0 EFADHL CC(=Cc1cc(Cl)cs1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060573 1098126323 /nfs/dbraw/zinc/12/63/23/1098126323.db2.gz RDVNGHWXMCXCGZ-UTCJRWHESA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1cc(Cl)cs1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060573 1098126325 /nfs/dbraw/zinc/12/63/25/1098126325.db2.gz RDVNGHWXMCXCGZ-UTCJRWHESA-N -2 3 334.792 2.946 20 0 EFADHL CC(C)(C)c1ccc(-c2nnn[n-]2)c(NCCCCCC(=O)[O-])n1 ZINC001609080735 1098134375 /nfs/dbraw/zinc/13/43/75/1098134375.db2.gz VOZBZFONWQGURJ-UHFFFAOYSA-N -2 3 332.408 2.616 20 0 EFADHL CC(C)(C)c1ccc(-c2nn[n-]n2)c(NCCCCCC(=O)[O-])n1 ZINC001609080735 1098134378 /nfs/dbraw/zinc/13/43/78/1098134378.db2.gz VOZBZFONWQGURJ-UHFFFAOYSA-N -2 3 332.408 2.616 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC001609561679 1098380315 /nfs/dbraw/zinc/38/03/15/1098380315.db2.gz AWJPFZICTZQCFN-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=c1cc(-c2ccc(Cl)cc2)[n-]n1-c1ccc(-c2nn[n-]n2)cc1 ZINC001609587482 1098392700 /nfs/dbraw/zinc/39/27/00/1098392700.db2.gz UMIFZUHMDYAWBR-UHFFFAOYSA-N -2 3 338.758 2.661 20 0 EFADHL CC(C)(CC(=O)[O-])CC(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001609673508 1098422864 /nfs/dbraw/zinc/42/28/64/1098422864.db2.gz ZYSXEPYENSSIQV-UHFFFAOYSA-N -2 3 344.367 2.783 20 0 EFADHL C[C@@](Cc1ccccc1)([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C1CC1 ZINC001609753858 1098446816 /nfs/dbraw/zinc/44/68/16/1098446816.db2.gz RKMMMMPASCOTRU-KRWDZBQOSA-N -2 3 349.408 2.668 20 0 EFADHL C[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ncc(C(=O)[O-])s1 ZINC001609762104 1098449099 /nfs/dbraw/zinc/44/90/99/1098449099.db2.gz PUVCHJTXFAFHET-ZETCQYMHSA-N -2 3 344.314 2.950 20 0 EFADHL C[C@]1(C(=O)[O-])CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001609813030 1098465722 /nfs/dbraw/zinc/46/57/22/1098465722.db2.gz AHLUQNRZOQVRBD-KRWDZBQOSA-N -2 3 346.408 2.805 20 0 EFADHL CCc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c([O-])c1 ZINC001610060516 1098534859 /nfs/dbraw/zinc/53/48/59/1098534859.db2.gz RYAABASQFQBGPE-KRWDZBQOSA-N -2 3 325.364 2.779 20 0 EFADHL CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C(C)(C)C(=O)[O-] ZINC001610092450 1098545123 /nfs/dbraw/zinc/54/51/23/1098545123.db2.gz SYGNCFSIEWEXKS-UHFFFAOYSA-N -2 3 327.380 2.918 20 0 EFADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(F)c(C(=O)[O-])c1F ZINC001610417918 1098667734 /nfs/dbraw/zinc/66/77/34/1098667734.db2.gz QXHCHSHNJCPUPX-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)c2ccc(F)cc2)cc1C(=O)[O-] ZINC001610586464 1098770112 /nfs/dbraw/zinc/77/01/12/1098770112.db2.gz GZZLOJGPWVXASW-VIFPVBQESA-N -2 3 341.360 2.507 20 0 EFADHL O=C([O-])CN(C(=O)c1cc(Cc2ccccc2)ccc1[O-])C1CC1 ZINC001610779785 1098882735 /nfs/dbraw/zinc/88/27/35/1098882735.db2.gz MPRXCMRCCLZYSZ-UHFFFAOYSA-N -2 3 325.364 2.672 20 0 EFADHL O=C([O-])CCSc1ncccc1[N-]C(=O)c1cn2ccnc2s1 ZINC001610778372 1098882906 /nfs/dbraw/zinc/88/29/06/1098882906.db2.gz XFGXPMJWYPKPHI-UHFFFAOYSA-N -2 3 348.409 2.610 20 0 EFADHL O=C([O-])c1cc(F)ccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1F ZINC001610814261 1098907523 /nfs/dbraw/zinc/90/75/23/1098907523.db2.gz CIAKPXXHCHXSGB-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL O=C([O-])c1ccc(C[N-]c2nnc([C@H]3Cc4ccccc4O3)o2)o1 ZINC001610828696 1098918504 /nfs/dbraw/zinc/91/85/04/1098918504.db2.gz VZSPNOYSYDKXST-CYBMUJFWSA-N -2 3 327.296 2.649 20 0 EFADHL O=S(=O)([N-]c1ccc([O-])c(Cl)c1)c1ccc2c(c1)CCO2 ZINC000182491890 1118617006 /nfs/dbraw/zinc/61/70/06/1118617006.db2.gz IMUZWRWRQUTBLH-UHFFFAOYSA-N -2 3 325.773 2.781 20 0 EFADHL CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000184839090 1119526439 /nfs/dbraw/zinc/52/64/39/1119526439.db2.gz PJISUNHXTTZEKT-ZCFIWIBFSA-N -2 3 326.201 2.768 20 0 EFADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000184934980 1119635618 /nfs/dbraw/zinc/63/56/18/1119635618.db2.gz JHXBTXJWWKAMJQ-IUCAKERBSA-N -2 3 333.356 2.520 20 0 EFADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000184935019 1119635650 /nfs/dbraw/zinc/63/56/50/1119635650.db2.gz JHXBTXJWWKAMJQ-DTWKUNHWSA-N -2 3 333.356 2.520 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F)C(=O)[O-] ZINC000035085817 213008641 /nfs/dbraw/zinc/00/86/41/213008641.db2.gz UUEPITLVCSPYFO-QMMMGPOBSA-N -2 3 345.726 2.500 20 0 EFADHL CCO[N-]C(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC000022875075 212330552 /nfs/dbraw/zinc/33/05/52/212330552.db2.gz PJKHLPCPMUTMRT-UHFFFAOYSA-N -2 3 335.429 2.687 20 0 EFADHL CC[C@@H](CS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-])OC ZINC000421147139 245880049 /nfs/dbraw/zinc/88/00/49/245880049.db2.gz FGDUTBZSZINXHD-VIFPVBQESA-N -2 3 327.324 2.578 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cnc3ccccc3c2)c1F ZINC000427315940 247336458 /nfs/dbraw/zinc/33/64/58/247336458.db2.gz PXUGXTUWTHRDBR-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL COc1ccc(C)cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443442446 250196534 /nfs/dbraw/zinc/19/65/34/250196534.db2.gz LTXQNMUKWKMOTR-YVMONPNESA-N -2 3 328.368 2.995 20 0 EFADHL COc1cc(C)ccc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000453023951 252020652 /nfs/dbraw/zinc/02/06/52/252020652.db2.gz ITJQENDIQTUSDN-SOFGYWHQSA-N -2 3 328.368 2.995 20 0 EFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c1C ZINC000005133388 210396677 /nfs/dbraw/zinc/39/66/77/210396677.db2.gz URKDWNDACVNAFY-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL O=C([O-])CC[C@H](CC1CCCCC1)NC(=O)c1ccc2n[n-]nc2c1 ZINC000263411257 141392068 /nfs/dbraw/zinc/39/20/68/141392068.db2.gz MJMHFFFMGRIOPN-CQSZACIVSA-N -2 3 344.415 2.892 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c1C(=O)[O-] ZINC000342283309 145092977 /nfs/dbraw/zinc/09/29/77/145092977.db2.gz PYDKBWOXEZVASF-LLVKDONJSA-N -2 3 347.392 2.817 20 0 EFADHL Cc1cc(Cl)cc(NC(=O)c2ccc(-c3nc(=O)o[n-]3)cc2)c1[O-] ZINC000342504620 145140090 /nfs/dbraw/zinc/14/00/90/145140090.db2.gz WJARASKSBJKNNS-UHFFFAOYSA-N -2 3 345.742 2.950 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(SC)cc2)c1 ZINC000342763409 145187415 /nfs/dbraw/zinc/18/74/15/145187415.db2.gz ZROCTIFUQUQDTE-UHFFFAOYSA-N -2 3 325.411 2.924 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(OC(F)F)c2)c1 ZINC000342784224 145192278 /nfs/dbraw/zinc/19/22/78/145192278.db2.gz SKMUFWXBEWBSCN-UHFFFAOYSA-N -2 3 345.323 2.803 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1C(=O)[O-] ZINC000348868627 146016993 /nfs/dbraw/zinc/01/69/93/146016993.db2.gz YHBCZUIOMALSMS-UHFFFAOYSA-N -3 3 339.344 2.593 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1Cl ZINC000348885254 146019883 /nfs/dbraw/zinc/01/98/83/146019883.db2.gz SEBWUVRVUJPXCP-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1 ZINC000349012068 146037045 /nfs/dbraw/zinc/03/70/45/146037045.db2.gz WPVTXBNVUHMZBY-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL O=C([N-]c1nnc(CC(F)(F)F)s1)c1c(F)ccc([O-])c1F ZINC000349090271 146050893 /nfs/dbraw/zinc/05/08/93/146050893.db2.gz BZGVJQFXRRCSNV-UHFFFAOYSA-N -2 3 339.245 2.879 20 0 EFADHL Cc1nc(C=Cc2cnc(C(F)(F)F)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349103865 146053282 /nfs/dbraw/zinc/05/32/82/146053282.db2.gz DJPWMRBUQLKMSN-NSCUHMNNSA-N -2 3 345.302 2.763 20 0 EFADHL Cc1nc(C=CC=Cc2ccc(F)c(F)c2)[n-]c(=O)c1CC(=O)[O-] ZINC000349114083 146054431 /nfs/dbraw/zinc/05/44/31/146054431.db2.gz UBGLBZWKFLQNRR-VOERYJCWSA-N -2 3 332.306 2.710 20 0 EFADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccccc2C(=O)[O-])no1 ZINC000350935581 146101737 /nfs/dbraw/zinc/10/17/37/146101737.db2.gz DSEDQATYMFTUSP-UHFFFAOYSA-N -2 3 338.385 2.612 20 0 EFADHL O=C(c1cc([O-])c2ccccc2c1)N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000351850939 146217927 /nfs/dbraw/zinc/21/79/27/146217927.db2.gz IBLCLZJFHVHZGM-UHFFFAOYSA-N -2 3 339.351 2.654 20 0 EFADHL CCCOc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCC1CC1 ZINC000356032396 147128208 /nfs/dbraw/zinc/12/82/08/147128208.db2.gz BNYQILROKIOYIH-UHFFFAOYSA-N -2 3 327.402 2.715 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(N(C)C)cc2)ccc1C(=O)[O-] ZINC000357548924 147554522 /nfs/dbraw/zinc/55/45/22/147554522.db2.gz RRHRXPVWHBHILX-UHFFFAOYSA-N -2 3 334.397 2.560 20 0 EFADHL COc1ccc(F)cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000359163064 148012229 /nfs/dbraw/zinc/01/22/29/148012229.db2.gz NLUMOSHLUJYMEF-XVNBXDOJSA-N -2 3 332.331 2.826 20 0 EFADHL Cc1cc(=O)[n-]c([C@H](C)N2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000369304115 150324687 /nfs/dbraw/zinc/32/46/87/150324687.db2.gz XUFMIBDNJPXLHB-ZDUSSCGKSA-N -2 3 341.411 2.852 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C ZINC000278258033 267381656 /nfs/dbraw/zinc/38/16/56/267381656.db2.gz NKJVCGVWRGYQPN-GFCCVEGCSA-N -2 3 349.836 2.516 20 0 EFADHL C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000273669332 273117532 /nfs/dbraw/zinc/11/75/32/273117532.db2.gz JFQSSLQLXVIOTM-WRWORJQWSA-N -2 3 335.784 2.644 20 0 EFADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000084147076 292824996 /nfs/dbraw/zinc/82/49/96/292824996.db2.gz VZNFDURRSKNSJH-UHFFFAOYSA-N -2 3 326.201 2.525 20 0 EFADHL O=S(=O)(CCCCF)[N-]c1cc(Br)ccc1[O-] ZINC000294128422 295115544 /nfs/dbraw/zinc/11/55/44/295115544.db2.gz FIGOJPFAQPLHDT-UHFFFAOYSA-N -2 3 326.187 2.646 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H](C)CC(C)C ZINC000314473700 311233293 /nfs/dbraw/zinc/23/32/93/311233293.db2.gz MQVLNKANMSYZOA-SECBINFHSA-N -2 3 349.836 2.760 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c1 ZINC000316373971 311235465 /nfs/dbraw/zinc/23/54/65/311235465.db2.gz UDVCTNUJPVIBCW-UHFFFAOYSA-N -2 3 331.409 2.694 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(F)cc1F)CCC(=O)[O-] ZINC000316581404 311235470 /nfs/dbraw/zinc/23/54/70/311235470.db2.gz SFIYQJGAKOVAQA-UHFFFAOYSA-N -2 3 335.372 2.524 20 0 EFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000317308981 311236082 /nfs/dbraw/zinc/23/60/82/311236082.db2.gz BARWJEJVMQXKHM-SNVBAGLBSA-N -2 3 343.430 2.581 20 0 EFADHL O=C([O-])[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000323933575 311240855 /nfs/dbraw/zinc/24/08/55/311240855.db2.gz ROCABPBZTJYKGD-CQSZACIVSA-N -2 3 347.383 2.667 20 0 EFADHL COc1ccc([O-])c(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000324169944 311240997 /nfs/dbraw/zinc/24/09/97/311240997.db2.gz FREHDEGVNLTOGN-OAHLLOKOSA-N -2 3 329.352 2.737 20 0 EFADHL C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N=c1ccc([O-])n[n-]1 ZINC000484457569 313319402 /nfs/dbraw/zinc/31/94/02/313319402.db2.gz LMRCZAJFRHTQJJ-CYBMUJFWSA-N -2 3 335.363 2.677 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000515839741 315641361 /nfs/dbraw/zinc/64/13/61/315641361.db2.gz RJSLLZOSJXTSGS-UHFFFAOYSA-N -2 3 345.726 2.659 20 0 EFADHL CCc1cccc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c1[O-] ZINC000527496582 316385095 /nfs/dbraw/zinc/38/50/95/316385095.db2.gz VGRJEXITVVECOD-UHFFFAOYSA-N -2 3 325.324 2.550 20 0 EFADHL CC[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000530153503 317063632 /nfs/dbraw/zinc/06/36/32/317063632.db2.gz QICHVKZFUMSOMG-CYBMUJFWSA-N -2 3 337.397 2.668 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC2CCC2)C(=O)[O-])sc1Cl ZINC000530473268 317133498 /nfs/dbraw/zinc/13/34/98/317133498.db2.gz DRNGUKIBLUHXDT-VIFPVBQESA-N -2 3 337.850 2.632 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)C3)c1 ZINC000530540514 317144549 /nfs/dbraw/zinc/14/45/49/317144549.db2.gz ZGVUDONWGSLLSF-UHFFFAOYSA-N -2 3 349.408 2.915 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)cc1F ZINC000547570602 318019537 /nfs/dbraw/zinc/01/95/37/318019537.db2.gz YCSYBZQGHAJCDP-NSHDSACASA-N -2 3 349.399 2.689 20 0 EFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c1 ZINC000547576489 318019677 /nfs/dbraw/zinc/01/96/77/318019677.db2.gz LSYIZCZFWVPFBD-JTQLQIEISA-N -2 3 349.836 2.660 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c(F)cc1F ZINC000547938433 318053830 /nfs/dbraw/zinc/05/38/30/318053830.db2.gz WJMPPKKLPMYRCP-JTQLQIEISA-N -2 3 349.399 2.831 20 0 EFADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000548260931 318086924 /nfs/dbraw/zinc/08/69/24/318086924.db2.gz XEWOMBQVABSACZ-SMDDNHRTSA-N -2 3 347.383 2.667 20 0 EFADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cccc(C)c1F)C(=O)[O-] ZINC000548260891 318087015 /nfs/dbraw/zinc/08/70/15/318087015.db2.gz VWHUVHWPJCHCBE-CMPLNLGQSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])cc1F ZINC000548262365 318087175 /nfs/dbraw/zinc/08/71/75/318087175.db2.gz HBAJRIFPULEAGE-KOLCDFICSA-N -2 3 349.399 2.831 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000548533779 318117750 /nfs/dbraw/zinc/11/77/50/318117750.db2.gz JJKXLBNILTVALT-JTQLQIEISA-N -2 3 331.777 2.536 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)c1 ZINC000548540628 318118715 /nfs/dbraw/zinc/11/87/15/318118715.db2.gz AMPNVLFUAXHGPZ-LRDDRELGSA-N -2 3 343.420 2.694 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)c1F ZINC000548550565 318119038 /nfs/dbraw/zinc/11/90/38/318119038.db2.gz CEIXJTDGMVQMPR-MEDUHNTESA-N -2 3 343.420 2.694 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C ZINC000548552576 318119149 /nfs/dbraw/zinc/11/91/49/318119149.db2.gz UFTFIOSYJWYRLC-LBPRGKRZSA-N -2 3 331.409 2.549 20 0 EFADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000548591098 318121435 /nfs/dbraw/zinc/12/14/35/318121435.db2.gz CJNBPOXUINAVHA-YPMHNXCESA-N -2 3 329.393 2.528 20 0 EFADHL C[C@H]1CCC[C@]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])C1 ZINC000548771485 318142099 /nfs/dbraw/zinc/14/20/99/318142099.db2.gz JZEDUFPTUFUFQH-LKFCYVNXSA-N -2 3 349.811 2.791 20 0 EFADHL CC[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1ccc([O-])n[n-]1 ZINC000551650177 318211692 /nfs/dbraw/zinc/21/16/92/318211692.db2.gz JKHKGIBOPLKIHG-NSHDSACASA-N -2 3 339.317 2.830 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-][C@@H](CC(C)(C)C)C(=O)[O-] ZINC000559959863 318522412 /nfs/dbraw/zinc/52/24/12/318522412.db2.gz UZNITWGBOIFNIQ-JTQLQIEISA-N -2 3 349.836 2.516 20 0 EFADHL CC(C)[C@H]1C[C@]([N-]S(=O)(=O)c2ccoc2)(C(=O)[O-])c2ccccc21 ZINC000560418792 318549209 /nfs/dbraw/zinc/54/92/09/318549209.db2.gz IQLDUINNLYFTJL-RHSMWYFYSA-N -2 3 349.408 2.681 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)CC23CCC(CC2)C3)c1F ZINC000562371856 318640594 /nfs/dbraw/zinc/64/05/94/318640594.db2.gz GZBFNYNKNTZAGT-UHFFFAOYSA-N -2 3 327.377 2.846 20 0 EFADHL CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000563067978 318736227 /nfs/dbraw/zinc/73/62/27/318736227.db2.gz ISPJUFGBFZFJKX-RYUDHWBXSA-N -2 3 347.458 2.629 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1nc(C)cs1 ZINC000563070697 318736933 /nfs/dbraw/zinc/73/69/33/318736933.db2.gz HYQHWRMYKYQBOU-LLVKDONJSA-N -2 3 340.426 2.579 20 0 EFADHL COCC1(S(=O)(=O)[N-]c2cc(C(C)(C)C)ccc2C(=O)[O-])CC1 ZINC000563426014 318783987 /nfs/dbraw/zinc/78/39/87/318783987.db2.gz YYPNOMMZMXNFPJ-UHFFFAOYSA-N -2 3 341.429 2.603 20 0 EFADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000563602436 318801668 /nfs/dbraw/zinc/80/16/68/318801668.db2.gz ISWQKPXRFCYVOL-SNVBAGLBSA-N -2 3 325.361 2.511 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C(C)(C)c2cccc(F)c2)cc1C(=O)[O-] ZINC000565301284 318956293 /nfs/dbraw/zinc/95/62/93/318956293.db2.gz QANJYXVLCFWNLN-UHFFFAOYSA-N -2 3 341.360 2.639 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C2(c3ccccc3)CCC2)cc1C(=O)[O-] ZINC000566180076 319044633 /nfs/dbraw/zinc/04/46/33/319044633.db2.gz RSFSPSWIBRNLFN-UHFFFAOYSA-N -2 3 335.381 2.644 20 0 EFADHL CC(C)(C)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)[C@H]2CCCOC2)c1 ZINC000566630117 319097019 /nfs/dbraw/zinc/09/70/19/319097019.db2.gz OKTHOUAQQCCBLQ-LBPRGKRZSA-N -2 3 341.429 2.603 20 0 EFADHL CC[C@H](CC[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000566958506 319124976 /nfs/dbraw/zinc/12/49/76/319124976.db2.gz PLHXRYHGKOMVND-SNVBAGLBSA-N -2 3 343.376 2.660 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H]1C[C@@H](C(=O)[O-])C1 ZINC000567468489 319174751 /nfs/dbraw/zinc/17/47/51/319174751.db2.gz SJEIHJHGMFVCPC-WAAGHKOSSA-N -2 3 343.788 2.536 20 0 EFADHL CC[C@@H](C)C[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000567796791 319212405 /nfs/dbraw/zinc/21/24/05/319212405.db2.gz HONMJODAICTGQS-RKDXNWHRSA-N -2 3 335.447 2.558 20 0 EFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)c1ccccc1 ZINC000567804573 319212789 /nfs/dbraw/zinc/21/27/89/319212789.db2.gz NWVMZIHRZIXMKK-GFCCVEGCSA-N -2 3 337.397 2.758 20 0 EFADHL CCC[C@@H](C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000568825584 319320847 /nfs/dbraw/zinc/32/08/47/319320847.db2.gz IXGNMOPIHHYRTQ-JTQLQIEISA-N -2 3 343.376 2.660 20 0 EFADHL C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1C(=O)[O-] ZINC000577388902 320106599 /nfs/dbraw/zinc/10/65/99/320106599.db2.gz RULMIWGPLLLPEZ-HZMBPMFUSA-N -2 3 341.429 2.601 20 0 EFADHL O=C([O-])C[C@H](C[N-]S(=O)(=O)c1csc2ccccc21)C(F)F ZINC000577678979 320132495 /nfs/dbraw/zinc/13/24/95/320132495.db2.gz PNGYTEVFYPODOF-MRVPVSSYSA-N -2 3 349.380 2.536 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])s1)c1nc(C)cs1 ZINC000578440308 320206693 /nfs/dbraw/zinc/20/66/93/320206693.db2.gz RAUUNZAHODFXAX-MRVPVSSYSA-N -2 3 346.455 2.641 20 0 EFADHL CCC[C@@](C)([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000386468545 323762175 /nfs/dbraw/zinc/76/21/75/323762175.db2.gz JUFPGWZJZRQFEL-GFCCVEGCSA-N -2 3 339.335 2.627 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c1 ZINC000387940505 323767532 /nfs/dbraw/zinc/76/75/32/323767532.db2.gz ADXXKEVEUSSEOS-NWDGAFQWSA-N -2 3 331.409 2.692 20 0 EFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000399478955 323795611 /nfs/dbraw/zinc/79/56/11/323795611.db2.gz XCNSVBQNVVWTOT-PRHODGIISA-N -2 3 337.800 2.503 20 0 EFADHL CCc1cc(=O)[n-]c(CN2C[C@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC000580097575 324098616 /nfs/dbraw/zinc/09/86/16/324098616.db2.gz RXKDVDJGOIDEJI-UKRRQHHQSA-N -2 3 333.432 2.600 20 0 EFADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000580868638 324253078 /nfs/dbraw/zinc/25/30/78/324253078.db2.gz YBVBIKCYZYPTHV-ZIAGYGMSSA-N -2 3 347.383 2.667 20 0 EFADHL COc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c1 ZINC000345811248 475472591 /nfs/dbraw/zinc/47/25/91/475472591.db2.gz WUERRRKIODFRFQ-ZDUSSCGKSA-N -2 3 343.379 2.764 20 0 EFADHL COc1ccc([O-])c(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])c1 ZINC000345811246 475472852 /nfs/dbraw/zinc/47/28/52/475472852.db2.gz WUERRRKIODFRFQ-CYBMUJFWSA-N -2 3 343.379 2.764 20 0 EFADHL CCCC(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000388340348 476776728 /nfs/dbraw/zinc/77/67/28/476776728.db2.gz MTLDFZIZVGDZAB-UHFFFAOYSA-N -2 3 349.836 2.904 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCC1 ZINC000399208554 476882155 /nfs/dbraw/zinc/88/21/55/476882155.db2.gz OJDNYENVUVDSCB-LLVKDONJSA-N -2 3 338.212 2.525 20 0 EFADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000007381989 471609423 /nfs/dbraw/zinc/60/94/23/471609423.db2.gz PDHCWVYJMRFGQK-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000013348945 471827247 /nfs/dbraw/zinc/82/72/47/471827247.db2.gz MDTUJVXXUBXQIA-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c1 ZINC000013455523 471831283 /nfs/dbraw/zinc/83/12/83/471831283.db2.gz FHSRNCBSHZXMBR-AWEZNQCLSA-N -2 3 337.422 2.876 20 0 EFADHL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000020302226 471988596 /nfs/dbraw/zinc/98/85/96/471988596.db2.gz MXRBSFRNBRYOBA-WRWORJQWSA-N -2 3 340.228 2.771 20 0 EFADHL Cn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cc1C(=O)[O-] ZINC000020545235 471990376 /nfs/dbraw/zinc/99/03/76/471990376.db2.gz DCNAIDPRLIWSKZ-UHFFFAOYSA-N -2 3 349.195 2.831 20 0 EFADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000035085570 471994287 /nfs/dbraw/zinc/99/42/87/471994287.db2.gz HZFDUGXENGRPID-LLVKDONJSA-N -2 3 340.228 2.915 20 0 EFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000035390675 471996129 /nfs/dbraw/zinc/99/61/29/471996129.db2.gz PNLIKKWJKUNKQN-SNVBAGLBSA-N -2 3 340.228 2.771 20 0 EFADHL CCC(CC)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000035651053 471996943 /nfs/dbraw/zinc/99/69/43/471996943.db2.gz MMPNJLZEWSDERU-UHFFFAOYSA-N -2 3 335.809 2.514 20 0 EFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000036961352 472008575 /nfs/dbraw/zinc/00/85/75/472008575.db2.gz NQBNAUPDCGAHAA-CPCISQLKSA-N -2 3 340.228 2.771 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000024432857 472054570 /nfs/dbraw/zinc/05/45/70/472054570.db2.gz LNLAWOPAOBMXCH-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000084147101 472150917 /nfs/dbraw/zinc/15/09/17/472150917.db2.gz IJAYXSYTQZGNNC-UHFFFAOYSA-N -2 3 326.201 2.525 20 0 EFADHL O=C(CCn1c(=O)c2ccccc2[n-]c1=S)Nc1ccccc1[O-] ZINC000028814203 472238412 /nfs/dbraw/zinc/23/84/12/472238412.db2.gz XQILXHJNBQJFNU-UHFFFAOYSA-N -2 3 341.392 2.793 20 0 EFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000097064365 472431778 /nfs/dbraw/zinc/43/17/78/472431778.db2.gz SOUKWTKGIDMCRI-XCBNKYQSSA-N -2 3 338.212 2.525 20 0 EFADHL CS(=O)(=O)[N-]c1ccc(C(=O)Nc2cccc(Cl)c2[O-])cc1 ZINC000077010954 472446643 /nfs/dbraw/zinc/44/66/43/472446643.db2.gz LCLDTSZPZKLDNO-UHFFFAOYSA-N -2 3 340.788 2.669 20 0 EFADHL Cc1cc(Cl)cc(NC(=O)c2cccc(-c3nc(=O)o[n-]3)c2)c1[O-] ZINC000622467848 479992159 /nfs/dbraw/zinc/99/21/59/479992159.db2.gz KABRNIKWFGMLOL-UHFFFAOYSA-N -2 3 345.742 2.950 20 0 EFADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000097895743 472508084 /nfs/dbraw/zinc/50/80/84/472508084.db2.gz CJIWIOXAQCQJKD-UHFFFAOYSA-N -2 3 337.800 2.648 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1 ZINC000058354931 472553907 /nfs/dbraw/zinc/55/39/07/472553907.db2.gz FUTZHWJOTATCAT-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1c[n-]c2ccccc2c1=O ZINC000071874855 472593062 /nfs/dbraw/zinc/59/30/62/472593062.db2.gz YXSDYWPFVSUWJR-UHFFFAOYSA-N -2 3 348.318 2.536 20 0 EFADHL O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cnc2ccccc2c1[O-] ZINC000071874855 472593069 /nfs/dbraw/zinc/59/30/69/472593069.db2.gz YXSDYWPFVSUWJR-UHFFFAOYSA-N -2 3 348.318 2.536 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000059857027 472630561 /nfs/dbraw/zinc/63/05/61/472630561.db2.gz DFLIHYRIMIYYPL-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000063345144 472771199 /nfs/dbraw/zinc/77/11/99/472771199.db2.gz ZTDWTZDLMICHJR-UHFFFAOYSA-N -2 3 341.772 2.848 20 0 EFADHL Cc1csc([C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)n1 ZINC000080265955 473006159 /nfs/dbraw/zinc/00/61/59/473006159.db2.gz PMEZFUMNVDGQQU-ZETCQYMHSA-N -2 3 346.455 2.559 20 0 EFADHL Cc1csc([C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])sc2C)n1 ZINC000080265952 473006460 /nfs/dbraw/zinc/00/64/60/473006460.db2.gz PMEZFUMNVDGQQU-SSDOTTSWSA-N -2 3 346.455 2.559 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC000074591638 473032855 /nfs/dbraw/zinc/03/28/55/473032855.db2.gz IYLOCGTYSATPFC-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1C ZINC000066290283 473070033 /nfs/dbraw/zinc/07/00/33/473070033.db2.gz QAJGXSYHUCOHKA-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000074983494 473108339 /nfs/dbraw/zinc/10/83/39/473108339.db2.gz KAVOUPQJRCYVGG-UHFFFAOYSA-N -2 3 335.381 2.974 20 0 EFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000136248839 473146315 /nfs/dbraw/zinc/14/63/15/473146315.db2.gz BZQAEURQLCVAIJ-VIFPVBQESA-N -2 3 340.228 2.771 20 0 EFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000136248808 473146902 /nfs/dbraw/zinc/14/69/02/473146902.db2.gz BZQAEURQLCVAIJ-SECBINFHSA-N -2 3 340.228 2.771 20 0 EFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000136738891 473175335 /nfs/dbraw/zinc/17/53/35/473175335.db2.gz KOQUZLXJQQOQJW-SSDOTTSWSA-N -2 3 325.839 2.569 20 0 EFADHL O=C(Cc1ccc([O-])cc1Cl)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000178293166 473485226 /nfs/dbraw/zinc/48/52/26/473485226.db2.gz WKWXVWNVRWQTDG-UHFFFAOYSA-N -2 3 345.742 2.570 20 0 EFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CCC1 ZINC000166672905 473529416 /nfs/dbraw/zinc/52/94/16/473529416.db2.gz OOBIFVLUIYGXHC-UHFFFAOYSA-N -2 3 338.212 2.527 20 0 EFADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Cl)cc1[O-] ZINC000154007909 473659475 /nfs/dbraw/zinc/65/94/75/473659475.db2.gz JOJMSSCLMMDZPK-UHFFFAOYSA-N -2 3 340.788 2.669 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000262640286 473704238 /nfs/dbraw/zinc/70/42/38/473704238.db2.gz HHOYWJPUDSUBBG-VIFPVBQESA-N -2 3 340.228 2.833 20 0 EFADHL O=C([O-])[C@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000263578739 473784138 /nfs/dbraw/zinc/78/41/38/473784138.db2.gz SYUKQZPFTLRHNU-AWEZNQCLSA-N -2 3 341.363 2.518 20 0 EFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000275139229 474083275 /nfs/dbraw/zinc/08/32/75/474083275.db2.gz JTHZCGVSCMTWBE-MRVPVSSYSA-N -2 3 337.800 2.647 20 0 EFADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000275179165 474095593 /nfs/dbraw/zinc/09/55/93/474095593.db2.gz DEUKFGYGLRYXJA-UHFFFAOYSA-N -2 3 335.372 2.668 20 0 EFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000275260701 474122923 /nfs/dbraw/zinc/12/29/23/474122923.db2.gz OVKDGCLPNWCQDT-QMMMGPOBSA-N -2 3 337.800 2.647 20 0 EFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000275281533 474128264 /nfs/dbraw/zinc/12/82/64/474128264.db2.gz RVLWZFJPQQQAPN-QMMMGPOBSA-N -2 3 337.800 2.647 20 0 EFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000211120111 474131077 /nfs/dbraw/zinc/13/10/77/474131077.db2.gz LISWLROOKUKYBU-GFCCVEGCSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1csc([C@H](C)[N-]S(=O)(=O)c2c(C)csc2C(=O)[O-])n1 ZINC000226475820 474242647 /nfs/dbraw/zinc/24/26/47/474242647.db2.gz VRJGACZTOPHDFZ-QMMMGPOBSA-N -2 3 346.455 2.559 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C(C)(C)C)sc1Cl ZINC000231807829 474264170 /nfs/dbraw/zinc/26/41/70/474264170.db2.gz LWFXKXNMPQNZGQ-QMMMGPOBSA-N -2 3 339.866 2.878 20 0 EFADHL O=C(Nc1ncccc1[O-])c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000189064532 474279608 /nfs/dbraw/zinc/27/96/08/474279608.db2.gz XSVDBEXUBARWOC-UHFFFAOYSA-N -2 3 334.331 2.976 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(F)cc2C)ccc1[O-] ZINC000175689634 474283024 /nfs/dbraw/zinc/28/30/24/474283024.db2.gz BYHPDSBNDOUIBQ-UHFFFAOYSA-N -2 3 338.360 2.599 20 0 EFADHL CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000237056999 474329247 /nfs/dbraw/zinc/32/92/47/474329247.db2.gz ZDMDWJWQBWJVBN-CMPLNLGQSA-N -2 3 329.393 2.771 20 0 EFADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC000183356712 474374227 /nfs/dbraw/zinc/37/42/27/474374227.db2.gz XXFFKNTVAUVMEA-UHFFFAOYSA-N -2 3 340.788 2.669 20 0 EFADHL COc1cc(OC)c(C(=O)[O-])cc1C=Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000629076001 480116610 /nfs/dbraw/zinc/11/66/10/480116610.db2.gz XPZRXLKUXULEGL-WAYWQWQTSA-N -2 3 342.351 2.945 20 0 EFADHL Cc1cc(C)cc(CS(=O)(=O)[N-]c2n[n-]c(SC(C)C)n2)c1 ZINC000337140785 474732635 /nfs/dbraw/zinc/73/26/35/474732635.db2.gz RIPWKWNXFLKWSB-UHFFFAOYSA-N -2 3 340.474 2.864 20 0 EFADHL COCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1 ZINC000340893181 474755827 /nfs/dbraw/zinc/75/58/27/474755827.db2.gz DDCFKJUKLBJOHD-UHFFFAOYSA-N -2 3 335.381 2.640 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1 ZINC000315106480 474870039 /nfs/dbraw/zinc/87/00/39/474870039.db2.gz XQKJDLKNJJVNFR-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000315485460 474871377 /nfs/dbraw/zinc/87/13/77/474871377.db2.gz FCSLNSKQDZJSRS-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1 ZINC000320093150 474907670 /nfs/dbraw/zinc/90/76/70/474907670.db2.gz DHSAZXZPZPOANR-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1C(=O)[O-] ZINC000320186596 474908422 /nfs/dbraw/zinc/90/84/22/474908422.db2.gz PEPIZJZUCZXBBE-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1 ZINC000321940345 474934791 /nfs/dbraw/zinc/93/47/91/474934791.db2.gz VCLDEHKEWGOPRK-UHFFFAOYSA-N -2 3 335.381 2.513 20 0 EFADHL COCc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000323439545 474948736 /nfs/dbraw/zinc/94/87/36/474948736.db2.gz YRAIEZDMUAXTAL-UHFFFAOYSA-N -2 3 335.381 2.640 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cccc3cnccc32)c(F)c1 ZINC000324953954 474979379 /nfs/dbraw/zinc/97/93/79/474979379.db2.gz CGMJEBPZFBAYQJ-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000325025726 474981011 /nfs/dbraw/zinc/98/10/11/474981011.db2.gz KCZXCUVRIWTBEE-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000273746409 475039974 /nfs/dbraw/zinc/03/99/74/475039974.db2.gz PIBWGXIKQYMEQC-QWRGUYRKSA-N -2 3 349.499 2.789 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1 ZINC000338124379 475606920 /nfs/dbraw/zinc/60/69/20/475606920.db2.gz FEDYAVLYNUSMNZ-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000297191218 475649539 /nfs/dbraw/zinc/64/95/39/475649539.db2.gz LWADTHLGVKYOOR-MFKMUULPSA-N -2 3 347.383 2.667 20 0 EFADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000297237900 475671290 /nfs/dbraw/zinc/67/12/90/475671290.db2.gz PNNITLFHJRQNBK-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc(C(=O)[O-])c1C ZINC000348454568 475676904 /nfs/dbraw/zinc/67/69/04/475676904.db2.gz YRFHZVADMHQONL-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000297260897 475679685 /nfs/dbraw/zinc/67/96/85/475679685.db2.gz RQPNNNANQZQSRA-VIFPVBQESA-N -2 3 339.335 2.627 20 0 EFADHL CC[C@@H](C)c1ncc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])cn1 ZINC000358495636 475724888 /nfs/dbraw/zinc/72/48/88/475724888.db2.gz JWMLGPMDFKYJFE-SNVBAGLBSA-N -2 3 337.401 2.505 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2C)c1 ZINC000346675753 475754118 /nfs/dbraw/zinc/75/41/18/475754118.db2.gz QJDZUVVSNITVDX-WDEREUQCSA-N -2 3 329.393 2.547 20 0 EFADHL COc1c(C)cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1C ZINC000358556485 475768491 /nfs/dbraw/zinc/76/84/91/475768491.db2.gz MCAJBSLZBRFWKU-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL O=C(N=c1nc(-c2cccnc2)[n-]s1)c1cc([O-])ccc1Cl ZINC000355256057 475781725 /nfs/dbraw/zinc/78/17/25/475781725.db2.gz RFYHGYBVSNFCBU-UHFFFAOYSA-N -2 3 332.772 2.633 20 0 EFADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c1 ZINC000361982259 475913796 /nfs/dbraw/zinc/91/37/96/475913796.db2.gz DSBMQIGDFGQKGT-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000362003835 475927709 /nfs/dbraw/zinc/92/77/09/475927709.db2.gz WQGUGERLLNQQLT-UHFFFAOYSA-N -2 3 343.763 2.656 20 0 EFADHL CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000355477074 475971189 /nfs/dbraw/zinc/97/11/89/475971189.db2.gz YVQDQCYTFORCOD-QWRGUYRKSA-N -2 3 349.499 2.789 20 0 EFADHL COC(=O)c1ccc(C(=O)Nc2ccc([O-])c(C(F)(F)F)c2)[n-]1 ZINC000343354119 475977654 /nfs/dbraw/zinc/97/76/54/475977654.db2.gz PXYALUSVXFEPGU-UHFFFAOYSA-N -2 3 328.246 2.778 20 0 EFADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000340449541 476041597 /nfs/dbraw/zinc/04/15/97/476041597.db2.gz CYCJMABOPVOOOG-VIFPVBQESA-N -2 3 327.789 2.635 20 0 EFADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000362222287 476085615 /nfs/dbraw/zinc/08/56/15/476085615.db2.gz UFXBLOGYOJIWNI-GFCCVEGCSA-N -2 3 335.372 2.523 20 0 EFADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000362233566 476097930 /nfs/dbraw/zinc/09/79/30/476097930.db2.gz KRQKEYJZWWVPHS-LLVKDONJSA-N -2 3 335.372 2.523 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)COC3)c(C)c1C(=O)[O-] ZINC000350303708 476126700 /nfs/dbraw/zinc/12/67/00/476126700.db2.gz XBXDONPDGOXJKW-UHFFFAOYSA-N -2 3 347.392 2.833 20 0 EFADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)[C@H]1C ZINC000336855835 476142647 /nfs/dbraw/zinc/14/26/47/476142647.db2.gz ZLTVQHAULMINHC-NRUUGDAUSA-N -2 3 329.393 2.627 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C)c2)cc1C(=O)[O-] ZINC000336865635 476148026 /nfs/dbraw/zinc/14/80/26/476148026.db2.gz FENOBBZCMPWVQC-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1C(=O)[O-] ZINC000336866521 476148855 /nfs/dbraw/zinc/14/88/55/476148855.db2.gz HUJVVIMPNVTOPD-UHFFFAOYSA-N -2 3 335.381 2.757 20 0 EFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000357012389 476154770 /nfs/dbraw/zinc/15/47/70/476154770.db2.gz GCTSTPYMOIWCLY-UHFFFAOYSA-N -2 3 349.408 2.902 20 0 EFADHL COc1cc(C)c([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1C ZINC000357079375 476212558 /nfs/dbraw/zinc/21/25/58/476212558.db2.gz SFAWDOVZUZIKQS-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC000357209486 476291291 /nfs/dbraw/zinc/29/12/91/476291291.db2.gz LPYVJKKTTHKXKU-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc(O)cc2[O-])CC1 ZINC000374716605 476500735 /nfs/dbraw/zinc/50/07/35/476500735.db2.gz LHFYGYHIISGSCZ-UHFFFAOYSA-N -2 3 341.363 2.539 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@H](C)C(C)C ZINC000387445961 476772016 /nfs/dbraw/zinc/77/20/16/476772016.db2.gz PRGFLGWXNJKTQS-VIFPVBQESA-N -2 3 349.836 2.617 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CCCCC2(F)F)c1 ZINC000389762849 476784707 /nfs/dbraw/zinc/78/47/07/476784707.db2.gz YSXRWROTWNTKCI-VIFPVBQESA-N -2 3 339.385 2.550 20 0 EFADHL COc1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)ccc1C(=O)[O-] ZINC000391609295 476814409 /nfs/dbraw/zinc/81/44/09/476814409.db2.gz YQNDLKGEJGRYLL-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL C[C@@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)CC(=O)[O-] ZINC000392935377 476829948 /nfs/dbraw/zinc/82/99/48/476829948.db2.gz WILISPXZFMTPFY-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL CCc1cc(=O)[n-]c(CN2CCC(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000366129090 476874573 /nfs/dbraw/zinc/87/45/73/476874573.db2.gz LWCHFJXREJOMCL-UHFFFAOYSA-N -2 3 341.411 2.545 20 0 EFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000399459724 476882910 /nfs/dbraw/zinc/88/29/10/476882910.db2.gz PRKJRMFTLXMNIU-QPUJVOFHSA-N -2 3 337.800 2.503 20 0 EFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000399432528 476884176 /nfs/dbraw/zinc/88/41/76/476884176.db2.gz INXOCMJQRVZYON-KWQFWETISA-N -2 3 337.800 2.503 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC[C@@H](C)C(=O)[O-])c(F)c1 ZINC000404969513 476925099 /nfs/dbraw/zinc/92/50/99/476925099.db2.gz NFCSHOLGBWKUFX-VXGBXAGGSA-N -2 3 331.409 2.692 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](CC(C)C)C(=O)[O-])nc2)n1 ZINC000424372814 477381899 /nfs/dbraw/zinc/38/18/99/477381899.db2.gz IOAONXQUUQTMOH-ZDUSSCGKSA-N -2 3 344.415 2.965 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2[O-])cn1 ZINC000436479296 477488519 /nfs/dbraw/zinc/48/85/19/477488519.db2.gz QENSPNUVAVYIRW-UHFFFAOYSA-N -2 3 348.302 2.615 20 0 EFADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(OC)c([O-])c(OC)c2)c1 ZINC000436644415 477542625 /nfs/dbraw/zinc/54/26/25/477542625.db2.gz JKKRDHRXLPJAEP-UHFFFAOYSA-N -2 3 345.351 2.960 20 0 EFADHL CC(=O)c1ccc(C(=O)N=c2[nH][n-]c(-c3ccc(C)o3)c2C)cc1[O-] ZINC000436664386 477549279 /nfs/dbraw/zinc/54/92/79/477549279.db2.gz IYWQTWUHLTZIIY-UHFFFAOYSA-N -2 3 339.351 2.869 20 0 EFADHL COc1ccc(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c([O-])c1 ZINC000436781176 477588588 /nfs/dbraw/zinc/58/85/88/477588588.db2.gz RYTXUXRBPOJHPB-UHFFFAOYSA-N -2 3 325.324 2.749 20 0 EFADHL CC[C@@](NC(=O)c1cc(OC)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC000436783900 477589247 /nfs/dbraw/zinc/58/92/47/477589247.db2.gz JAJBGFIPBMCVCV-SFHVURJKSA-N -2 3 329.352 2.521 20 0 EFADHL Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)c([O-])c1 ZINC000436926552 477638143 /nfs/dbraw/zinc/63/81/43/477638143.db2.gz KHIBFINGPFWQBR-UHFFFAOYSA-N -2 3 335.306 2.706 20 0 EFADHL O=C(N=c1cc(-c2ccc(Cl)s2)[n-][nH]1)C(=O)c1ccc([O-])cc1 ZINC000436975374 477654040 /nfs/dbraw/zinc/65/40/40/477654040.db2.gz JYQBOIZQPWMENL-UHFFFAOYSA-N -2 3 347.783 2.741 20 0 EFADHL Cc1cc(=NC(=O)c2nn(-c3ccc(C(C)C)cc3)cc2[O-])[n-]o1 ZINC000438894455 477903424 /nfs/dbraw/zinc/90/34/24/477903424.db2.gz JVKSPONJZHHTJF-UHFFFAOYSA-N -2 3 326.356 2.672 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)c(C(=O)[O-])c1 ZINC000517300820 478077991 /nfs/dbraw/zinc/07/79/91/478077991.db2.gz UBFMTACJNQHKDA-NSHDSACASA-N -2 3 347.392 2.817 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CC1(C(=O)[O-])CC1 ZINC000562643268 478296313 /nfs/dbraw/zinc/29/63/13/478296313.db2.gz GTQWSFXTKACEPU-UHFFFAOYSA-N -2 3 343.788 2.538 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H](C)C1CCCCC1 ZINC000570159771 478296388 /nfs/dbraw/zinc/29/63/88/478296388.db2.gz NCDICAFGLCGQMA-VIFPVBQESA-N -2 3 347.458 2.702 20 0 EFADHL CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1 ZINC000563067974 478438384 /nfs/dbraw/zinc/43/83/84/478438384.db2.gz ISPJUFGBFZFJKX-NEPJUHHUSA-N -2 3 347.458 2.629 20 0 EFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000582039643 478494843 /nfs/dbraw/zinc/49/48/43/478494843.db2.gz VJOLUCYFFMCGFQ-OLZOCXBDSA-N -2 3 349.811 2.791 20 0 EFADHL O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000572411539 478829972 /nfs/dbraw/zinc/82/99/72/478829972.db2.gz SITHCJCWMVBKAF-UHFFFAOYSA-N -2 3 331.699 2.732 20 0 EFADHL CC[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)C1 ZINC000564920587 478861218 /nfs/dbraw/zinc/86/12/18/478861218.db2.gz NUGUDGQVWSQDJY-NXEZZACHSA-N -2 3 347.458 2.702 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)c(C(C)=O)c2)c1 ZINC000507586022 478928276 /nfs/dbraw/zinc/92/82/76/478928276.db2.gz SRIRHZCQQXQKFY-UHFFFAOYSA-N -2 3 339.344 2.543 20 0 EFADHL CCc1nc([C@H](C)[N-]S(=O)(=O)c2ccsc2C(=O)[O-])cs1 ZINC000565300910 478974034 /nfs/dbraw/zinc/97/40/34/478974034.db2.gz CJZJPHSBNVNZEK-ZETCQYMHSA-N -2 3 346.455 2.505 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)[C@H](C)C(=O)[O-] ZINC000565702234 479064246 /nfs/dbraw/zinc/06/42/46/479064246.db2.gz RFVTYXZKKANFPI-YUMQZZPRSA-N -2 3 347.845 2.942 20 0 EFADHL CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000596088990 479131591 /nfs/dbraw/zinc/13/15/91/479131591.db2.gz QLAUDHDUYOUAHV-MNOVXSKESA-N -2 3 347.458 2.629 20 0 EFADHL CCS[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000596088991 479131610 /nfs/dbraw/zinc/13/16/10/479131610.db2.gz QLAUDHDUYOUAHV-QWRGUYRKSA-N -2 3 347.458 2.629 20 0 EFADHL CCS[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000584467301 479145942 /nfs/dbraw/zinc/14/59/42/479145942.db2.gz GJIUPTRAMBFQDQ-WDEREUQCSA-N -2 3 347.458 2.629 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CCCC[C@H]1CCC(=O)[O-] ZINC000584704685 479210109 /nfs/dbraw/zinc/21/01/09/479210109.db2.gz WBMDQUHSQQADQV-JSGCOSHPSA-N -2 3 343.420 2.836 20 0 EFADHL CC(C)(C)c1ccc([N-]S(=O)(=O)C[C@H]2CCCO2)c(C(=O)[O-])c1 ZINC000605291791 479631082 /nfs/dbraw/zinc/63/10/82/479631082.db2.gz WCQINGNTCQRFJX-GFCCVEGCSA-N -2 3 341.429 2.603 20 0 EFADHL CCOC(=O)c1nc([N-]S(=O)(=O)c2ccc3ccccc3c2)c[n-]1 ZINC000618906387 479632848 /nfs/dbraw/zinc/63/28/48/479632848.db2.gz HOFNFDMCCXYDAE-UHFFFAOYSA-N -2 3 345.380 2.540 20 0 EFADHL CCOC(=O)c1ncc([N-]S(=O)(=O)c2ccc3ccccc3c2)[n-]1 ZINC000618906387 479632850 /nfs/dbraw/zinc/63/28/50/479632850.db2.gz HOFNFDMCCXYDAE-UHFFFAOYSA-N -2 3 345.380 2.540 20 0 EFADHL O=C([O-])CN(Cc1ccc(Cl)cc1)Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000579119088 479664042 /nfs/dbraw/zinc/66/40/42/479664042.db2.gz IEELQZMAKBHMSG-UHFFFAOYSA-N -2 3 347.802 2.800 20 0 EFADHL Cc1cc(Cl)c([N-]S(=O)(=O)[C@@H]2COC(C)(C)C2)c(C(=O)[O-])c1 ZINC000629293173 480203821 /nfs/dbraw/zinc/20/38/21/480203821.db2.gz FILDRCGELCKDPT-VIFPVBQESA-N -2 3 347.820 2.656 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])cc1F ZINC000629313882 480207871 /nfs/dbraw/zinc/20/78/71/480207871.db2.gz BRGBWTZKCSBOKM-GXFFZTMASA-N -2 3 347.383 2.585 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCCC[C@@H]2C(=O)[O-])c(F)cc1F ZINC000629312670 480207914 /nfs/dbraw/zinc/20/79/14/480207914.db2.gz BSJSLYITMPGDPJ-GXFFZTMASA-N -2 3 347.383 2.585 20 0 EFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)c(F)c1)C(=O)[O-] ZINC000650231152 480949595 /nfs/dbraw/zinc/94/95/95/480949595.db2.gz FUCSCHGXIZICTN-VIFPVBQESA-N -2 3 337.800 2.504 20 0 EFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1cccs1 ZINC000650238510 480954204 /nfs/dbraw/zinc/95/42/04/480954204.db2.gz BWUOEAPOZRKLGE-SNVBAGLBSA-N -2 3 347.364 2.521 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)c1cccs1 ZINC000645944797 480982100 /nfs/dbraw/zinc/98/21/00/480982100.db2.gz GACRCLWBOFNMMN-SSDOTTSWSA-N -2 3 347.439 2.556 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]CCCCc2ccccc2)cc1C(=O)[O-] ZINC000645946890 480983970 /nfs/dbraw/zinc/98/39/70/480983970.db2.gz UFNXMMOXNDZJQV-UHFFFAOYSA-N -2 3 337.397 2.587 20 0 EFADHL COCC1(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2[O-])CC1 ZINC000641684730 481004078 /nfs/dbraw/zinc/00/40/78/481004078.db2.gz WLUINGJAKXVOCV-UHFFFAOYSA-N -2 3 347.436 2.904 20 0 EFADHL C[C@@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)CC(F)F ZINC000647606349 481009069 /nfs/dbraw/zinc/00/90/69/481009069.db2.gz SZFBBCKAPCRLGJ-SSDOTTSWSA-N -2 3 341.763 2.608 20 0 EFADHL CCC[C@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000646005319 481017285 /nfs/dbraw/zinc/01/72/85/481017285.db2.gz QCGRNZDDMLJXCF-JTQLQIEISA-N -2 3 345.364 2.689 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](C2CCC2)C2CCCC2)c1 ZINC000646059964 481050329 /nfs/dbraw/zinc/05/03/29/481050329.db2.gz WICPVQBSZCGFCQ-AWEZNQCLSA-N -2 3 327.402 2.615 20 0 EFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000650425429 481089203 /nfs/dbraw/zinc/08/92/03/481089203.db2.gz FXFLPJKYAHHROF-ZETCQYMHSA-N -2 3 338.212 2.525 20 0 EFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000650425854 481090011 /nfs/dbraw/zinc/09/00/11/481090011.db2.gz TXMVRBGAKKMWGF-SSDOTTSWSA-N -2 3 338.212 2.525 20 0 EFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000650425359 481090073 /nfs/dbraw/zinc/09/00/73/481090073.db2.gz DQZXZCAEJSFAHZ-SSDOTTSWSA-N -2 3 338.212 2.525 20 0 EFADHL C[C@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 ZINC000650427377 481090662 /nfs/dbraw/zinc/09/06/62/481090662.db2.gz HSJAEJMFPOZRFS-SSDOTTSWSA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])[C@]1(C(=O)Nc2cc(Br)ccc2[O-])CC=CCC1 ZINC000653309904 481219753 /nfs/dbraw/zinc/21/97/53/481219753.db2.gz ORGDOIMDENVRRD-CQSZACIVSA-N -2 3 340.173 2.904 20 0 EFADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000653344482 481239392 /nfs/dbraw/zinc/23/93/92/481239392.db2.gz YOYSJDYZKZKDBM-INIZCTEOSA-N -2 3 327.380 2.918 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C)C(C)C ZINC000647125537 481649049 /nfs/dbraw/zinc/64/90/49/481649049.db2.gz ZVSBIZHLHXNKPB-CQSZACIVSA-N -2 3 343.445 2.921 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc3ccccc3c2F)CCCC1 ZINC000654775971 482045892 /nfs/dbraw/zinc/04/58/92/482045892.db2.gz FIYMQKVGMDMXNT-UHFFFAOYSA-N -2 3 337.372 2.655 20 0 EFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000654772790 482046048 /nfs/dbraw/zinc/04/60/48/482046048.db2.gz JYKNQZZPOZEJLZ-NSHDSACASA-N -2 3 339.388 2.758 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2cccc(C)c2C)c1 ZINC000654775053 482046120 /nfs/dbraw/zinc/04/61/20/482046120.db2.gz CEGMRRZIJYSOIG-AWEZNQCLSA-N -2 3 339.438 2.778 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C)oc1C(=O)[O-] ZINC000663419108 482222213 /nfs/dbraw/zinc/22/22/13/482222213.db2.gz ONTUYRRDTQXPPU-GFCCVEGCSA-N -2 3 337.397 2.504 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2c3ccccc3CC[C@@H]2C)oc1C(=O)[O-] ZINC000663422628 482224412 /nfs/dbraw/zinc/22/44/12/482224412.db2.gz GLUSBPPBVCKFPU-BONVTDFDSA-N -2 3 349.408 2.888 20 0 EFADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)C1CCC1 ZINC000663423803 482226743 /nfs/dbraw/zinc/22/67/43/482226743.db2.gz YUUVRDBNRRMOLX-LBPRGKRZSA-N -2 3 329.418 2.923 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2CC(C)(c3ccccc3)C2)oc1C(=O)[O-] ZINC000663425588 482227764 /nfs/dbraw/zinc/22/77/64/482227764.db2.gz CISFWKURACPHEW-UHFFFAOYSA-N -2 3 349.408 2.685 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@]2(c3ccccc3)CC2(C)C)cc1C(=O)[O-] ZINC000663435023 482233039 /nfs/dbraw/zinc/23/30/39/482233039.db2.gz NXDDEWSADVJZBL-KRWDZBQOSA-N -2 3 349.408 2.890 20 0 EFADHL Cc1ccccc1CS(=O)(=O)[N-]c1n[n-]c(SC(C)C)n1 ZINC000180814261 525181651 /nfs/dbraw/zinc/18/16/51/525181651.db2.gz PHIBJFVDNUTHDF-UHFFFAOYSA-N -2 3 326.447 2.556 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)c([O-])c1 ZINC000194350547 525293519 /nfs/dbraw/zinc/29/35/19/525293519.db2.gz COPQGKZQOYPVRW-SJCJKPOMSA-N -2 3 337.441 2.838 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccccc2)sc1Cl ZINC000231806448 525412852 /nfs/dbraw/zinc/41/28/52/525412852.db2.gz NUQBYLDXRFBAGG-LLVKDONJSA-N -2 3 345.829 2.814 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1C)C(F)F ZINC000414320365 535806820 /nfs/dbraw/zinc/80/68/20/535806820.db2.gz BPSPEDUVIIKMIT-SECBINFHSA-N -2 3 341.763 2.669 20 0 EFADHL CCn1ncc2ccc([N-]S(=O)(=O)c3cc(OC)ccc3[O-])cc21 ZINC000342784082 535841747 /nfs/dbraw/zinc/84/17/47/535841747.db2.gz QRMNBXMIIOVBTH-UHFFFAOYSA-N -2 3 347.396 2.571 20 0 EFADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(C)c1OC ZINC000352026541 536595351 /nfs/dbraw/zinc/59/53/51/536595351.db2.gz KOQHSERHUBEUHC-SOFGYWHQSA-N -2 3 344.367 2.614 20 0 EFADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(Cl)c1 ZINC000349109599 536596106 /nfs/dbraw/zinc/59/61/06/536596106.db2.gz NKRZJYRCXVHEOD-GQCTYLIASA-N -2 3 334.759 2.950 20 0 EFADHL COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c(C(=O)[O-])c1 ZINC000342558446 545950901 /nfs/dbraw/zinc/95/09/01/545950901.db2.gz PCNLSQUHUWUWGU-UHFFFAOYSA-N -2 3 341.323 2.937 20 0 EFADHL COc1ccc(NC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c(C(=O)[O-])c1 ZINC000342558446 545950903 /nfs/dbraw/zinc/95/09/03/545950903.db2.gz PCNLSQUHUWUWGU-UHFFFAOYSA-N -2 3 341.323 2.937 20 0 EFADHL CO[C@@H](C)c1nc(=NC(=O)c2cc([O-])c3ccccc3c2)s[n-]1 ZINC000356245389 546091343 /nfs/dbraw/zinc/09/13/43/546091343.db2.gz MAIWBCOWYMHBDW-VIFPVBQESA-N -2 3 329.381 2.779 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c(F)c1 ZINC000404996522 546172037 /nfs/dbraw/zinc/17/20/37/546172037.db2.gz VRZYFZDCNPASCW-NSHDSACASA-N -2 3 343.401 2.690 20 0 EFADHL O=c1[n-]c(-c2ccc(N3CCOCC3)c(F)c2)nc2ccc([O-])cc12 ZINC000436929165 546233329 /nfs/dbraw/zinc/23/33/29/546233329.db2.gz URDMXJKNTZCJFR-UHFFFAOYSA-N -2 3 341.342 2.684 20 0 EFADHL COc1ccc(NC(=O)c2nn(-c3ccccc3)cc2[O-])c([O-])c1 ZINC000487369198 546271846 /nfs/dbraw/zinc/27/18/46/546271846.db2.gz OVAJGAWVSGSPRK-UHFFFAOYSA-N -2 3 325.324 2.544 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1c(C)cccc1C(=O)[O-])C1CCCC1 ZINC000656616509 546864461 /nfs/dbraw/zinc/86/44/61/546864461.db2.gz OBFQAZLPPSIVTE-CQSZACIVSA-N -2 3 341.429 2.640 20 0 EFADHL COc1ccc([O-])c([N-]S(=O)(=O)C[C@@H](OC)C2CCCCC2)c1 ZINC000656623884 546867396 /nfs/dbraw/zinc/86/73/96/546867396.db2.gz KDTOBMMKWRFLMP-MRXNPFEDSA-N -2 3 343.445 2.738 20 0 EFADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCCC12CCCCC2 ZINC000656719327 546900236 /nfs/dbraw/zinc/90/02/36/546900236.db2.gz VGTOCGFRXWJBCZ-NSHDSACASA-N -2 3 344.458 2.623 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc(Br)cc2F)[n-]c1=O ZINC000670369983 547473806 /nfs/dbraw/zinc/47/38/06/547473806.db2.gz OYBZQMDOMNCIOA-DUXPYHPUSA-N -2 3 339.120 2.952 20 0 EFADHL COc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(Cl)c1OC ZINC000670370035 547474128 /nfs/dbraw/zinc/47/41/28/547474128.db2.gz RWVPMTVUQCCMOD-ARJAWSKDSA-N -2 3 336.731 2.721 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc([O-])c(Br)c2)[n-]c1=O ZINC000670369789 547474267 /nfs/dbraw/zinc/47/42/67/547474267.db2.gz BNTXRTGLRQXXML-RQOWECAXSA-N -3 3 337.129 2.519 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc([O-])c(Br)c2)[nH]c1=O ZINC000670369789 547474272 /nfs/dbraw/zinc/47/42/72/547474272.db2.gz BNTXRTGLRQXXML-RQOWECAXSA-N -2 3 337.129 2.519 20 0 EFADHL O=C([O-])c1cnc(C=Cc2cnn(-c3ccc(Cl)cc3)c2)[n-]c1=O ZINC000670370050 547474297 /nfs/dbraw/zinc/47/42/97/547474297.db2.gz SYKYBQFMNVHYDY-LZCJLJQNSA-N -2 3 342.742 2.890 20 0 EFADHL O=C(Nc1ccccc1[O-])c1nn(-c2ccc(F)cc2F)cc1[O-] ZINC000673922131 547988461 /nfs/dbraw/zinc/98/84/61/547988461.db2.gz PYNNYWCGZAEZCF-UHFFFAOYSA-N -2 3 331.278 2.814 20 0 EFADHL COc1ccc(OCCCS(=O)(=O)[N-]c2ccccc2[O-])cc1 ZINC000674335617 548065914 /nfs/dbraw/zinc/06/59/14/548065914.db2.gz PPAPZQNEVGNZEW-UHFFFAOYSA-N -2 3 337.397 2.612 20 0 EFADHL O=C(NCc1ccc([O-])c(Br)c1)c1ccc([O-])c(F)c1 ZINC000681058320 549453420 /nfs/dbraw/zinc/45/34/20/549453420.db2.gz NCRLHSUZRBHAAT-UHFFFAOYSA-N -2 3 340.148 2.929 20 0 EFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000681571209 549568488 /nfs/dbraw/zinc/56/84/88/549568488.db2.gz RVOXKZAAYGCKRV-QMMMGPOBSA-N -2 3 347.845 2.944 20 0 EFADHL CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761264121 576137614 /nfs/dbraw/zinc/13/76/14/576137614.db2.gz UDTABKIGFYMABX-TVQRCGJNSA-N -2 3 347.383 2.910 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000761264452 576137690 /nfs/dbraw/zinc/13/76/90/576137690.db2.gz JKPFMWIQNXNTCQ-GXSJLCMTSA-N -2 3 329.393 2.689 20 0 EFADHL CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000761304731 576143499 /nfs/dbraw/zinc/14/34/99/576143499.db2.gz IXLAOQXOSZKUAU-ZJUUUORDSA-N -2 3 347.383 2.910 20 0 EFADHL CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000761304717 576143516 /nfs/dbraw/zinc/14/35/16/576143516.db2.gz IXLAOQXOSZKUAU-UWVGGRQHSA-N -2 3 347.383 2.910 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)cc1Cl ZINC000398213917 577285700 /nfs/dbraw/zinc/28/57/00/577285700.db2.gz UCVDLRLHJHLBKZ-JTQLQIEISA-N -2 3 339.747 2.504 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)c(C)c1 ZINC000738064225 577423211 /nfs/dbraw/zinc/42/32/11/577423211.db2.gz XHOUDTUIFZZJBL-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CNC(=O)[O-])cc1 ZINC000738402218 577430796 /nfs/dbraw/zinc/43/07/96/577430796.db2.gz MFSRDYZWNWMPNX-UHFFFAOYSA-N -2 3 338.360 2.703 20 0 EFADHL O=C(OCc1n[nH]c(=O)[n-]1)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000774963183 581505292 /nfs/dbraw/zinc/50/52/92/581505292.db2.gz OHTJDQMFYFLKSF-UHFFFAOYSA-N -2 3 345.742 2.893 20 0 EFADHL CC(C)(C)[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315635162 599769431 /nfs/dbraw/zinc/76/94/31/599769431.db2.gz YHTRTVMABQZUJL-WDEREUQCSA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315868158 599769495 /nfs/dbraw/zinc/76/94/95/599769495.db2.gz NAKBDIMBTDPUDV-WOPDTQHZSA-N -2 3 329.418 2.717 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCCc2cccc(Cl)c2)o1 ZINC000740175344 599776004 /nfs/dbraw/zinc/77/60/04/599776004.db2.gz PMFIHMGGOKJBQD-UHFFFAOYSA-N -2 3 343.788 2.542 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC000322426123 599852497 /nfs/dbraw/zinc/85/24/97/599852497.db2.gz NFJQUQMKSMUHBB-UHFFFAOYSA-N -2 3 335.381 2.513 20 0 EFADHL O=C([O-])c1ccc(COC(=O)c2cccc(Br)c2[O-])o1 ZINC000740135166 600110252 /nfs/dbraw/zinc/11/02/52/600110252.db2.gz YYYRYXWEEQQLPZ-UHFFFAOYSA-N -2 3 341.113 2.803 20 0 EFADHL C[C@]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)(C(=O)[O-])C1CC1 ZINC000037375891 600239990 /nfs/dbraw/zinc/23/99/90/600239990.db2.gz FGKGRQSNFVERTQ-GFCCVEGCSA-N -2 3 338.212 2.525 20 0 EFADHL COc1cccc(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1[O-] ZINC000738082991 600286341 /nfs/dbraw/zinc/28/63/41/600286341.db2.gz IYXKGCFATNMPSP-UHFFFAOYSA-N -2 3 330.340 2.763 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CC2)o1 ZINC000740174040 600463969 /nfs/dbraw/zinc/46/39/69/600463969.db2.gz PVISIGIKEXVDBK-UHFFFAOYSA-N -2 3 341.772 2.599 20 0 EFADHL O=C([O-])CCCc1nnc([N-]C(=O)c2ccc(Cl)s2)s1 ZINC000739711692 600537681 /nfs/dbraw/zinc/53/76/81/600537681.db2.gz NWWLMLFWDWNODM-UHFFFAOYSA-N -2 3 331.806 2.913 20 0 EFADHL COC(=O)Nc1ccc(C(=O)OCc2cc(C(=O)[O-])oc2C)cc1[O-] ZINC000831210139 600733364 /nfs/dbraw/zinc/73/33/64/600733364.db2.gz NMXMABDZTRBVML-UHFFFAOYSA-N -2 3 349.295 2.527 20 0 EFADHL CC(C)(C(=O)[O-])c1ccc(NC(=O)c2cc3c(cc2[O-])OCO3)cc1 ZINC000826126414 600775156 /nfs/dbraw/zinc/77/51/56/600775156.db2.gz BHENYLFBDMPPMY-UHFFFAOYSA-N -2 3 343.335 2.735 20 0 EFADHL CCC(CC)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000094240532 600791494 /nfs/dbraw/zinc/79/14/94/600791494.db2.gz PFBOBZJIAJECRQ-UHFFFAOYSA-N -2 3 340.228 2.915 20 0 EFADHL CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320226243 600993243 /nfs/dbraw/zinc/99/32/43/600993243.db2.gz UNKDPDBPXSXYPW-MWLCHTKSSA-N -2 3 347.383 2.910 20 0 EFADHL O=C([O-])c1ccc(OCCOC(=O)c2ccc([O-])cc2)c(Cl)c1 ZINC000833322180 601062276 /nfs/dbraw/zinc/06/22/76/601062276.db2.gz GMAUGDYKVUOSMK-UHFFFAOYSA-N -2 3 336.727 2.980 20 0 EFADHL Cc1cc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)c(F)cc1F ZINC000832866427 601138558 /nfs/dbraw/zinc/13/85/58/601138558.db2.gz FDWNJIVHJSREHS-UHFFFAOYSA-N -2 3 341.339 2.784 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H]2C[C@H]2C2CCCCC2)cc1C(=O)[O-] ZINC000833028411 601223803 /nfs/dbraw/zinc/22/38/03/601223803.db2.gz NKQUTLYNHKZJGC-STQMWFEESA-N -2 3 327.402 2.533 20 0 EFADHL CCCCC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000386384434 601230223 /nfs/dbraw/zinc/23/02/23/601230223.db2.gz IVAGTYWWLPHVDP-SECBINFHSA-N -2 3 335.372 2.910 20 0 EFADHL C[C@H]1CC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C[C@H](C)C1 ZINC000320788082 601237513 /nfs/dbraw/zinc/23/75/13/601237513.db2.gz SUECWTXFQZKGIY-RKDXNWHRSA-N -2 3 347.383 2.766 20 0 EFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CC1 ZINC000137201125 601574397 /nfs/dbraw/zinc/57/43/97/601574397.db2.gz VIRJHFAUNAKDPP-SNVBAGLBSA-N -2 3 338.212 2.525 20 0 EFADHL C[C@H]1CN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000828386934 601801093 /nfs/dbraw/zinc/80/10/93/601801093.db2.gz OYTDCPZWIRNRCS-GUYCJALGSA-N -2 3 339.391 2.776 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])c(F)cc1F ZINC000776552822 601962993 /nfs/dbraw/zinc/96/29/93/601962993.db2.gz TYMKUFPCYVIKMU-UHFFFAOYSA-N -2 3 349.399 2.977 20 0 EFADHL CC(C)c1csc(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)n1 ZINC000827144687 602009918 /nfs/dbraw/zinc/00/99/18/602009918.db2.gz SGKDJQLGUIVQHF-UHFFFAOYSA-N -2 3 346.455 2.505 20 0 EFADHL O=C([O-])[C@H]1CCCCCC[C@H]1NC(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000833132274 602056996 /nfs/dbraw/zinc/05/69/96/602056996.db2.gz ZQXNENVHNOJDHC-DZGCQCFKSA-N -2 3 342.395 2.682 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2ccc(NC(=O)[O-])cc2)c([O-])c1 ZINC000737155127 602866316 /nfs/dbraw/zinc/86/63/16/602866316.db2.gz JJDJLAZKIBFZRI-UHFFFAOYSA-N -2 3 344.323 2.911 20 0 EFADHL Cc1ccc(-c2nc(NC(=O)c3cccc(NC(=O)[O-])c3)n[n-]2)o1 ZINC000830160604 604585569 /nfs/dbraw/zinc/58/55/69/604585569.db2.gz SYTZSMYPUMKKIO-UHFFFAOYSA-N -2 3 327.300 2.715 20 0 EFADHL CC(C)CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833481466 605024793 /nfs/dbraw/zinc/02/47/93/605024793.db2.gz VCTCUJDTRYZEAV-GHMZBOCLSA-N -2 3 346.474 2.725 20 0 EFADHL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Br)cc1[O-] ZINC000833455596 605698844 /nfs/dbraw/zinc/69/88/44/605698844.db2.gz KKKPWEFTVSRELE-UHFFFAOYSA-N -2 3 330.178 2.984 20 0 EFADHL CC(C)(C)[C@H](CC(=O)[O-])NC(=O)c1cc([O-])cc(Br)c1 ZINC000700708686 1269442381 /nfs/dbraw/zinc/44/23/81/1269442381.db2.gz FAKVSKDIUQCNPF-NSHDSACASA-N -2 3 344.205 2.774 20 0 EFADHL CCOC(=O)C1(Nc2cc([S-])cc([S-])c2)CCN(C)CC1 ZINC001169495694 1272966561 /nfs/dbraw/zinc/96/65/61/1272966561.db2.gz NNGZYFUCCVOBQH-UHFFFAOYSA-N -2 3 326.487 2.703 20 0 EFADHL COc1ccc2ccc(C(=O)NCCCCP(=O)([O-])[O-])cc2c1 ZINC001174868180 1287226745 /nfs/dbraw/zinc/22/67/45/1287226745.db2.gz UEZSPMLIGZSOBO-UHFFFAOYSA-N -2 3 337.312 2.536 20 0 EFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC000871948497 1287374034 /nfs/dbraw/zinc/37/40/34/1287374034.db2.gz PVOVDFKJNMTWSP-VIFPVBQESA-N -2 3 345.364 2.620 20 0 EFADHL Cc1c(Cl)cc(S(=O)(=O)[N-][C@H](C)C(F)(F)F)cc1C(=O)[O-] ZINC000871962954 1287376816 /nfs/dbraw/zinc/37/68/16/1287376816.db2.gz JLLNPBPXRNWKJH-ZCFIWIBFSA-N -2 3 345.726 2.576 20 0 EFADHL CCOC(Cc1c(=O)[n-]cnc1Nc1cccc(C(=O)[O-])c1)OCC ZINC001175327391 1287403355 /nfs/dbraw/zinc/40/33/55/1287403355.db2.gz JGDJRCFDCZDSGQ-UHFFFAOYSA-N -2 3 347.371 2.566 20 0 EFADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cc2c(cc1[O-])OCO2 ZINC000805255865 1280498468 /nfs/dbraw/zinc/49/84/68/1280498468.db2.gz ZMSAHNIESGSWDK-UHFFFAOYSA-N -2 3 325.679 2.871 20 0 EFADHL O=C(N=c1[n-]cnn2cccc12)c1cccc(-c2ccccc2)c1[O-] ZINC001148860942 1281786441 /nfs/dbraw/zinc/78/64/41/1281786441.db2.gz CSPOYGRWICBURT-UHFFFAOYSA-N -2 3 330.347 2.776 20 0 EFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@@H](C)C(=O)[O-])c1Cl ZINC000776589371 1299681923 /nfs/dbraw/zinc/68/19/23/1299681923.db2.gz KUQSNUNISCXHDX-MRVPVSSYSA-N -2 3 340.228 2.691 20 0 EFADHL O=C(c1ccsc1)[C@@H](OCCP(=O)([O-])[O-])c1ccsc1 ZINC001224605420 1311412307 /nfs/dbraw/zinc/41/23/07/1311412307.db2.gz INTPWRGHNCOHLQ-LBPRGKRZSA-N -2 3 332.339 2.928 20 0 EFADHL Cc1ccc(C(C)C)c(OCC(=O)NCCCCP(=O)([O-])[O-])c1 ZINC001180511926 1289543813 /nfs/dbraw/zinc/54/38/13/1289543813.db2.gz CROCVUMOPKNFFV-UHFFFAOYSA-N -2 3 343.360 2.571 20 0 EFADHL CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129548932 1293142425 /nfs/dbraw/zinc/14/24/25/1293142425.db2.gz KFUNGCQCXVTSOP-UHFFFAOYSA-N -2 3 340.788 2.669 20 0 EFADHL O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1ccc(F)c([O-])c1F ZINC001193770635 1293426330 /nfs/dbraw/zinc/42/63/30/1293426330.db2.gz PMLFIARLFVCCJQ-UHFFFAOYSA-N -2 3 331.278 2.814 20 0 EFADHL O=c1nc2cn[n-]c2c(OC2c3ccccc3CCc3ccccc32)[n-]1 ZINC001233939698 1313021946 /nfs/dbraw/zinc/02/19/46/1313021946.db2.gz MQQHJOHQENWMDE-UHFFFAOYSA-N -2 3 344.374 2.913 20 0 EFADHL O=c1nc2cn[n-]c2c(O[C@H](COc2ccccc2)c2ccccc2)[n-]1 ZINC001233939085 1313022227 /nfs/dbraw/zinc/02/22/27/1313022227.db2.gz HHQVKHHSQWBJJT-MRXNPFEDSA-N -2 3 348.362 2.845 20 0 EFADHL O=C1CCC(S(=O)(=O)[N-]c2c([O-])cccc2C(F)(F)F)CC1 ZINC001194803407 1293719601 /nfs/dbraw/zinc/71/96/01/1293719601.db2.gz DCNIYVRYOFWEOS-UHFFFAOYSA-N -2 3 337.319 2.664 20 0 EFADHL CC1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCCCC1 ZINC001195187045 1293828162 /nfs/dbraw/zinc/82/81/62/1293828162.db2.gz NUUUKAMJJPQVQR-UHFFFAOYSA-N -2 3 333.356 2.664 20 0 EFADHL C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195187700 1293829160 /nfs/dbraw/zinc/82/91/60/1293829160.db2.gz WHAUOHMKWAWYGX-PELKAZGASA-N -2 3 333.356 2.520 20 0 EFADHL C[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195244502 1293859573 /nfs/dbraw/zinc/85/95/73/1293859573.db2.gz IFKCWEVXURFTPO-UWVGGRQHSA-N -2 3 347.383 2.768 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2CCCCC2)c(F)cc1F ZINC001195248370 1293861140 /nfs/dbraw/zinc/86/11/40/1293861140.db2.gz IDBIKNIVTQKPHC-UHFFFAOYSA-N -2 3 347.383 2.912 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C1CCCC1 ZINC001195253780 1293862866 /nfs/dbraw/zinc/86/28/66/1293862866.db2.gz DSODJOWIGJOQML-MRVPVSSYSA-N -2 3 333.356 2.520 20 0 EFADHL CC1(C)CC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195259252 1293864562 /nfs/dbraw/zinc/86/45/62/1293864562.db2.gz AODYZBHTQQVUDD-MRVPVSSYSA-N -2 3 333.356 2.520 20 0 EFADHL CC1(C)CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195259205 1293864699 /nfs/dbraw/zinc/86/46/99/1293864699.db2.gz ZDXGGMMDVMPTEN-LBPRGKRZSA-N -2 3 333.356 2.520 20 0 EFADHL O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1cc([O-])cnc1Cl ZINC001195298285 1293883547 /nfs/dbraw/zinc/88/35/47/1293883547.db2.gz UPDRCCKDYBVAQQ-UHFFFAOYSA-N -2 3 330.731 2.584 20 0 EFADHL COc1cccc(CS(=O)(=O)[N-]c2cccc(C(C)=O)c2[O-])c1 ZINC001197382947 1294523536 /nfs/dbraw/zinc/52/35/36/1294523536.db2.gz WAFMGXQIWBMENW-UHFFFAOYSA-N -2 3 335.381 2.545 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCCC(F)F)c(Cl)cc1F ZINC001352850170 1333766876 /nfs/dbraw/zinc/76/68/76/1333766876.db2.gz JHZJYGZABWJHPY-UHFFFAOYSA-N -2 3 345.726 2.501 20 0 EFADHL COC(=O)c1nc2nc(-c3ccc(C(=O)[O-])c(Cl)c3)ccc2[n-]1 ZINC001241349464 1314112454 /nfs/dbraw/zinc/11/24/54/1314112454.db2.gz DYAAXSAVCWZAEH-UHFFFAOYSA-N -2 3 331.715 2.763 20 0 EFADHL O=S(=O)(CCC(F)(F)F)[N-]c1ccc(Br)cc1[O-] ZINC001259871534 1316290295 /nfs/dbraw/zinc/29/02/95/1316290295.db2.gz JGCHHUCJBPRLIU-UHFFFAOYSA-N -2 3 348.140 2.849 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccc(F)c([O-])c3)nc2)no1 ZINC001243046288 1314256178 /nfs/dbraw/zinc/25/61/78/1314256178.db2.gz CTICSAJYHDNEJF-UHFFFAOYSA-N -2 3 349.343 2.691 20 0 EFADHL COC(=O)c1nc2nc(-c3cc(Cl)cc(C(=O)[O-])c3)ccc2[n-]1 ZINC001243325456 1314279584 /nfs/dbraw/zinc/27/95/84/1314279584.db2.gz HDJNHGUTOFSSDZ-UHFFFAOYSA-N -2 3 331.715 2.763 20 0 EFADHL COC(=O)c1nc2ccc(-c3cc(Cl)cc(C(=O)[O-])c3)[n-]c-2n1 ZINC001243325456 1314279586 /nfs/dbraw/zinc/27/95/86/1314279586.db2.gz HDJNHGUTOFSSDZ-UHFFFAOYSA-N -2 3 331.715 2.763 20 0 EFADHL CC1(C)CCC[C@H](CS(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)O1 ZINC000901654842 1310829196 /nfs/dbraw/zinc/82/91/96/1310829196.db2.gz ZPPMLSYJOJMOCV-LLVKDONJSA-N -2 3 345.392 2.613 20 0 EFADHL COc1c(Br)cccc1[C@H](C)OCCP(=O)([O-])[O-] ZINC001224602115 1311412399 /nfs/dbraw/zinc/41/23/99/1311412399.db2.gz OJBYBOSWTYOKDE-QMMMGPOBSA-N -2 3 339.122 2.713 20 0 EFADHL O=C(c1cccs1)[C@H](OCCP(=O)([O-])[O-])c1cccs1 ZINC001224607751 1311412378 /nfs/dbraw/zinc/41/23/78/1311412378.db2.gz UZZQPWXPHPXVIL-GFCCVEGCSA-N -2 3 332.339 2.928 20 0 EFADHL CC(C)CCOC(=O)[C@@H](OCCP(=O)([O-])[O-])c1ccccc1 ZINC001224605863 1311412647 /nfs/dbraw/zinc/41/26/47/1311412647.db2.gz KTDNZOHNGUZVPA-AWEZNQCLSA-N -2 3 330.317 2.511 20 0 EFADHL COc1ccc(OC(C)C)c(COCCCCP(=O)([O-])[O-])c1 ZINC001225019126 1311464896 /nfs/dbraw/zinc/46/48/96/1311464896.db2.gz SABHQRILNPLYKO-UHFFFAOYSA-N -2 3 332.333 2.957 20 0 EFADHL CC[C@@H](COC)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121563 1311902552 /nfs/dbraw/zinc/90/25/52/1311902552.db2.gz DYZIOAZYBVEMTO-ZDUSSCGKSA-N -2 3 332.352 2.838 20 0 EFADHL CC(C)N1CC(Oc2cc([O-])ccc2C(=O)c2ccc(O)cc2[O-])C1 ZINC001228119801 1311903056 /nfs/dbraw/zinc/90/30/56/1311903056.db2.gz MDJGSRPTYFFBKY-UHFFFAOYSA-N -2 3 343.379 2.506 20 0 EFADHL C[C@@H]1COCC[C@H]1Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121284 1311903148 /nfs/dbraw/zinc/90/31/48/1311903148.db2.gz BKDKYAZYDIPTJT-PIGZYNQJSA-N -2 3 344.363 2.838 20 0 EFADHL O=C([O-])CCC(=O)Nc1ccc(Nc2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001213180837 1314517444 /nfs/dbraw/zinc/51/74/44/1314517444.db2.gz JQKLSJUVFCDZQX-UHFFFAOYSA-N -2 3 342.355 2.607 20 0 EFADHL CN(C)c1nc(Nc2ccc(Cl)c([O-])c2F)c(N=O)c(=O)[n-]1 ZINC001214796223 1314738439 /nfs/dbraw/zinc/73/84/39/1314738439.db2.gz KHKZKWPVSUKWQS-UHFFFAOYSA-N -2 3 327.703 2.888 20 0 EFADHL Cc1c([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cccc1C(=O)[O-] ZINC001216660806 1314989358 /nfs/dbraw/zinc/98/93/58/1314989358.db2.gz SOAZSVUJZGAIPB-UHFFFAOYSA-N -2 3 340.788 2.730 20 0 EFADHL CSc1ccccc1[N-]C(=S)Nc1[n-]c(=O)nc2nc[nH]c21 ZINC001249713098 1315126248 /nfs/dbraw/zinc/12/62/48/1315126248.db2.gz IUFVXZACAFVPHS-UHFFFAOYSA-N -2 3 332.414 2.589 20 0 EFADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cccc2cccnc21 ZINC001250971924 1315304372 /nfs/dbraw/zinc/30/43/72/1315304372.db2.gz RJGOQLZMMGAQOS-UHFFFAOYSA-N -2 3 335.772 2.790 20 0 EFADHL Cc1ccccc1S(=O)(=O)[N-]c1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001254626080 1315732833 /nfs/dbraw/zinc/73/28/33/1315732833.db2.gz PBNFZYSCMYTVDH-UHFFFAOYSA-N -2 3 329.381 2.687 20 0 EFADHL CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccc(F)cc1[O-])C(=O)C2 ZINC001258985219 1316199094 /nfs/dbraw/zinc/19/90/94/1316199094.db2.gz JKDZHJPBTIVXHD-QLJPJBMISA-N -2 3 341.404 2.668 20 0 EFADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)cc1 ZINC001259177183 1316215423 /nfs/dbraw/zinc/21/54/23/1316215423.db2.gz HVRZOGYKFIFPGX-UHFFFAOYSA-N -2 3 327.308 2.674 20 0 EFADHL C[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259221301 1316221886 /nfs/dbraw/zinc/22/18/86/1316221886.db2.gz ANZJAYBGKYARBB-WRWORJQWSA-N -2 3 335.784 2.644 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)[n-]3)cc2)cc1F ZINC001259481020 1316249385 /nfs/dbraw/zinc/24/93/85/1316249385.db2.gz AUXQCPXSPPFZKR-UHFFFAOYSA-N -2 3 347.371 2.826 20 0 EFADHL O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1ncccc1[O-] ZINC001260027678 1316308671 /nfs/dbraw/zinc/30/86/71/1316308671.db2.gz ZABRTBOYQLLPLW-UHFFFAOYSA-N -2 3 332.303 2.748 20 0 EFADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(Oc2ccccn2)cc1 ZINC001260140471 1316318898 /nfs/dbraw/zinc/31/88/98/1316318898.db2.gz XKQCOEZDAFDJHR-UHFFFAOYSA-N -2 3 343.364 2.775 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)nc(F)c2Cl)c1 ZINC001260183887 1316320816 /nfs/dbraw/zinc/32/08/16/1316320816.db2.gz GWQVIJXYRHEKBH-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL CC(=O)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(F)c1 ZINC001260189974 1316321996 /nfs/dbraw/zinc/32/19/96/1316321996.db2.gz SNTILNDDVHNMGC-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)ccc1O ZINC001260393746 1316336931 /nfs/dbraw/zinc/33/69/31/1316336931.db2.gz DJPPJPHKOGFUQN-UHFFFAOYSA-N -2 3 348.380 2.554 20 0 EFADHL COc1ccc(F)cc1S(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC001260648739 1316354188 /nfs/dbraw/zinc/35/41/88/1316354188.db2.gz BIEJGAZJGOHNRS-UHFFFAOYSA-N -2 3 333.287 2.619 20 0 EFADHL COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cncc([O-])c1 ZINC001260778779 1316368231 /nfs/dbraw/zinc/36/82/31/1316368231.db2.gz HGMLESCPWJNZBG-UHFFFAOYSA-N -2 3 328.777 2.558 20 0 EFADHL O=S(=O)([N-]c1cccc(CO)c1)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875858 1316375148 /nfs/dbraw/zinc/37/51/48/1316375148.db2.gz CUIKWGQIZHXJOK-UHFFFAOYSA-N -2 3 348.207 2.992 20 0 EFADHL CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(F)c([O-])c(F)c2)[n-]n1 ZINC001362595278 1336667491 /nfs/dbraw/zinc/66/74/91/1336667491.db2.gz OUUPRFLVDOJNPE-UHFFFAOYSA-N -2 3 339.298 2.601 20 0 EFADHL COc1cccc([O-])c1C(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001470669257 1397109113 /nfs/dbraw/zinc/10/91/13/1397109113.db2.gz HLIJHLRPOYCFPB-UHFFFAOYSA-N -2 3 325.324 2.544 20 0 EFADHL Cc1cnc([N-]C(=O)N[C@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822395183 1428397569 /nfs/dbraw/zinc/39/75/69/1428397569.db2.gz VIJRGXYBGSOZNW-SECBINFHSA-N -2 3 329.389 2.514 20 0 EFADHL Cc1cnc([N-]C(=O)N[C@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822395183 1428397574 /nfs/dbraw/zinc/39/75/74/1428397574.db2.gz VIJRGXYBGSOZNW-SECBINFHSA-N -2 3 329.389 2.514 20 0 EFADHL O=C([O-])[C@@H]1C[C@H]2[C@H](NC(=O)c3cc([O-])cc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001551450516 1414077581 /nfs/dbraw/zinc/07/75/81/1414077581.db2.gz OCYDZDPNCDUYMB-LYDNSBFWSA-N -2 3 343.301 2.640 20 0 EFADHL CSC=CC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826227051 1428955547 /nfs/dbraw/zinc/95/55/47/1428955547.db2.gz KWLBSPGHOTYVQN-AATRIKPKSA-N -2 3 344.425 2.805 20 0 EFADHL CSC=CC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826227051 1428955549 /nfs/dbraw/zinc/95/55/49/1428955549.db2.gz KWLBSPGHOTYVQN-AATRIKPKSA-N -2 3 344.425 2.805 20 0 EFADHL O=C(Cc1cccc(-c2nnn[n-]2)c1)[N-]c1nc2ccccc2s1 ZINC000823107990 1423442051 /nfs/dbraw/zinc/44/20/51/1423442051.db2.gz HQVFEGACXMZDCM-UHFFFAOYSA-N -2 3 336.380 2.658 20 0 EFADHL O=C(Cc1cccc(-c2nn[n-]n2)c1)[N-]c1nc2ccccc2s1 ZINC000823107990 1423442054 /nfs/dbraw/zinc/44/20/54/1423442054.db2.gz HQVFEGACXMZDCM-UHFFFAOYSA-N -2 3 336.380 2.658 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2cccc(-c3nn[n-]n3)c2)cc1C ZINC000825717163 1425124888 /nfs/dbraw/zinc/12/48/88/1425124888.db2.gz IAUQQUCDELCFIH-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2cccc(-c3nnn[n-]3)c2)cc1C ZINC000825717163 1425124893 /nfs/dbraw/zinc/12/48/93/1425124893.db2.gz IAUQQUCDELCFIH-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL CCCCc1ccc(CC(=O)[N-]c2ncc(-c3nn[n-]n3)s2)cc1 ZINC000821077325 1425359036 /nfs/dbraw/zinc/35/90/36/1425359036.db2.gz AMNOGOMADCCBCZ-UHFFFAOYSA-N -2 3 342.428 2.847 20 0 EFADHL CCCCc1ccc(CC(=O)[N-]c2ncc(-c3nnn[n-]3)s2)cc1 ZINC000821077325 1425359039 /nfs/dbraw/zinc/35/90/39/1425359039.db2.gz AMNOGOMADCCBCZ-UHFFFAOYSA-N -2 3 342.428 2.847 20 0 EFADHL Cc1ccc(C)c(SCC(=O)[N-]c2ncc(-c3nnn[n-]3)s2)c1 ZINC000822231878 1426677865 /nfs/dbraw/zinc/67/78/65/1426677865.db2.gz KVMXODIXYYZLNS-UHFFFAOYSA-N -2 3 346.441 2.671 20 0 EFADHL O=C([N-]c1ncc(Cc2ccc(-c3nnn[n-]3)cc2)s1)C1=CCC1 ZINC000826460140 1426689792 /nfs/dbraw/zinc/68/97/92/1426689792.db2.gz OKZNMAHIWCMZJH-UHFFFAOYSA-N -2 3 338.396 2.573 20 0 EFADHL O=C([N-]c1ncc(Cc2ccc(-c3nn[n-]n3)cc2)s1)C1=CCC1 ZINC000826460140 1426689794 /nfs/dbraw/zinc/68/97/94/1426689794.db2.gz OKZNMAHIWCMZJH-UHFFFAOYSA-N -2 3 338.396 2.573 20 0 EFADHL CCCc1cnc([N-]C(=O)C=Cc2ccccc2-c2nnn[n-]2)s1 ZINC000825348575 1428127598 /nfs/dbraw/zinc/12/75/98/1428127598.db2.gz QOMCXSIALZNGTI-CMDGGOBGSA-N -2 3 340.412 2.928 20 0 EFADHL CCCc1cnc([N-]C(=O)C=Cc2ccccc2-c2nn[n-]n2)s1 ZINC000825348575 1428127601 /nfs/dbraw/zinc/12/76/01/1428127601.db2.gz QOMCXSIALZNGTI-CMDGGOBGSA-N -2 3 340.412 2.928 20 0 EFADHL CC1(C)C[C@@H]1C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824796910 1443532711 /nfs/dbraw/zinc/53/27/11/1443532711.db2.gz UPSKZOQWBJWJFN-LLVKDONJSA-N -2 3 340.412 2.975 20 0 EFADHL CC1(C)C[C@@H]1C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824796910 1443532715 /nfs/dbraw/zinc/53/27/15/1443532715.db2.gz UPSKZOQWBJWJFN-LLVKDONJSA-N -2 3 340.412 2.975 20 0 EFADHL CSC=CC(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1 ZINC000821956188 1443786323 /nfs/dbraw/zinc/78/63/23/1443786323.db2.gz JHBSUIXNUMDMIB-VOTSOKGWSA-N -2 3 344.425 2.805 20 0 EFADHL CSC=CC(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1 ZINC000821956188 1443786326 /nfs/dbraw/zinc/78/63/26/1443786326.db2.gz JHBSUIXNUMDMIB-VOTSOKGWSA-N -2 3 344.425 2.805 20 0 EFADHL CC(=CC(=O)[N-]c1ncc(-c2nn[n-]n2)s1)c1ccc(F)cc1 ZINC000819764580 1443822707 /nfs/dbraw/zinc/82/27/07/1443822707.db2.gz KHRQLHSZPIQBEG-VURMDHGXSA-N -2 3 330.348 2.504 20 0 EFADHL CC(=CC(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccc(F)cc1 ZINC000819764580 1443822709 /nfs/dbraw/zinc/82/27/09/1443822709.db2.gz KHRQLHSZPIQBEG-VURMDHGXSA-N -2 3 330.348 2.504 20 0 EFADHL C[C@H]1C[C@H]1C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824899588 1446293241 /nfs/dbraw/zinc/29/32/41/1446293241.db2.gz LLYRXBOQFRQVEB-GZMMTYOYSA-N -2 3 326.385 2.585 20 0 EFADHL C[C@H]1C[C@H]1C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824899588 1446293245 /nfs/dbraw/zinc/29/32/45/1446293245.db2.gz LLYRXBOQFRQVEB-GZMMTYOYSA-N -2 3 326.385 2.585 20 0 EFADHL CCc1csc([N-]C(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)n1 ZINC000821499230 1449053782 /nfs/dbraw/zinc/05/37/82/1449053782.db2.gz FLXDISQCLYTGDS-UHFFFAOYSA-N -2 3 343.416 2.550 20 0 EFADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000037373511 713817820 /nfs/dbraw/zinc/81/78/20/713817820.db2.gz CWEHYLZEQAWWHI-UHFFFAOYSA-N -2 3 325.839 2.715 20 0 EFADHL CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000926530283 716362586 /nfs/dbraw/zinc/36/25/86/716362586.db2.gz GYAAIZUWMGKEDQ-QMMMGPOBSA-N -2 3 343.298 2.533 20 0 EFADHL O=C([O-])CCC1CCN(C(=O)CCCc2ccc([O-])c(F)c2)CC1 ZINC000909437475 723203130 /nfs/dbraw/zinc/20/31/30/723203130.db2.gz KHDCVUFAUNWBDB-UHFFFAOYSA-N -2 3 337.391 2.957 20 0 EFADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000909676087 726069919 /nfs/dbraw/zinc/06/99/19/726069919.db2.gz ILOMKXVQVLNMHC-AHIWAGSCSA-N -2 3 335.375 2.566 20 0 EFADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000153491773 726886298 /nfs/dbraw/zinc/88/62/98/726886298.db2.gz HTODHLCENGWWTN-UHFFFAOYSA-N -2 3 347.783 2.823 20 0 EFADHL O=C([O-])[C@H]1C[C@@H]2C[C@H](NC(=O)c3cc([O-])c4ccccc4c3)[C@@H]2C1 ZINC000907946332 727059872 /nfs/dbraw/zinc/05/98/72/727059872.db2.gz MGOOFQHWUWPPBN-JMGFVUJMSA-N -2 3 325.364 2.775 20 0 EFADHL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc([O-])cc(C(F)(F)F)c3)[C@@H]2C1 ZINC000907953106 727062216 /nfs/dbraw/zinc/06/22/16/727062216.db2.gz OCYDZDPNCDUYMB-HLXLPKMUSA-N -2 3 343.301 2.640 20 0 EFADHL O=C([O-])[C@@H]1CC12CCN(C(=O)CCCc1ccc([O-])c(F)c1)CC2 ZINC000908651269 727235260 /nfs/dbraw/zinc/23/52/60/727235260.db2.gz 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CSc1ccc([O-])c(C(=O)NC[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001594193351 959178180 /nfs/dbraw/zinc/17/81/80/959178180.db2.gz QQYNTMYJLGRFQF-SFHVURJKSA-N -2 3 345.420 2.886 20 0 EFADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@]3(C(=O)[O-])CC3(C)C)c2)n1 ZINC001594269728 959787685 /nfs/dbraw/zinc/78/76/85/959787685.db2.gz XOCLETYYNRKUKU-GOSISDBHSA-N -2 3 342.351 2.564 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCC2)sc1Cl ZINC000231807261 960205977 /nfs/dbraw/zinc/20/59/77/960205977.db2.gz SLVNTAMPMBFZMK-UHFFFAOYSA-N -2 3 337.850 2.776 20 0 EFADHL CC[C@]1(C(=O)[O-])CCCN(Cc2ncc(Br)cc2[O-])C1 ZINC001573822729 960978523 /nfs/dbraw/zinc/97/85/23/960978523.db2.gz SNNYWXWLHPVTFD-AWEZNQCLSA-N -2 3 343.221 2.627 20 0 EFADHL Cc1ccc(C(=O)N[C@@H](C)[C@H](Cc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001571174950 962092534 /nfs/dbraw/zinc/09/25/34/962092534.db2.gz AENLUTFXBGEURS-BBRMVZONSA-N -2 3 327.380 2.762 20 0 EFADHL CC(C)(CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001571176208 962106755 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O=C([O-])C[C@@H]1CCC[C@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000700764363 976969944 /nfs/dbraw/zinc/96/99/44/976969944.db2.gz VNLHZNZUZPMNKM-QPUJVOFHSA-N -2 3 342.189 2.528 20 0 EFADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000793348979 978802782 /nfs/dbraw/zinc/80/27/82/978802782.db2.gz IWWAPMDGVRYDKV-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-])C1CC1 ZINC000828771688 978988217 /nfs/dbraw/zinc/98/82/17/978988217.db2.gz CYHGWJVRYPOMLO-INIZCTEOSA-N -2 3 349.408 2.705 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@H]1CC1(C)C ZINC001595313652 980478542 /nfs/dbraw/zinc/47/85/42/980478542.db2.gz VGHFFVWKPPUROZ-PSASIEDQSA-N -2 3 347.383 2.766 20 0 EFADHL CC[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC001595450877 981104702 /nfs/dbraw/zinc/10/47/02/981104702.db2.gz DPWAXIJEGIIOGP-NXEZZACHSA-N -2 3 347.383 2.768 20 0 EFADHL CC(=O)c1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cc1[O-] ZINC001589277648 985996415 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EFADHL CCc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)c([O-])c1 ZINC001597500543 988056266 /nfs/dbraw/zinc/05/62/66/988056266.db2.gz NPDDHFXJNITCDQ-IRXDYDNUSA-N -2 3 339.391 2.895 20 0 EFADHL CCc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)cc2)c([O-])c1 ZINC001597500837 988059535 /nfs/dbraw/zinc/05/95/35/988059535.db2.gz YASJJBSIWFLNRH-INIZCTEOSA-N -2 3 343.379 2.909 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)c1 ZINC001597555892 988284537 /nfs/dbraw/zinc/28/45/37/988284537.db2.gz BZAMKKWQBLKLGT-UHFFFAOYSA-N -2 3 325.324 2.781 20 0 EFADHL CCc1cccc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)[O-])c1[O-] ZINC001597570400 988343518 /nfs/dbraw/zinc/34/35/18/988343518.db2.gz HBUKAYCULXSGLY-MRXNPFEDSA-N -2 3 341.363 2.615 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@](C)(CC(=O)[O-])c2ccncc2)c1 ZINC001599820383 988503104 /nfs/dbraw/zinc/50/31/04/988503104.db2.gz XBPJURSBKJZDCY-QGZVFWFLSA-N -2 3 346.408 2.629 20 0 EFADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2ccsc2C(=O)[O-])no1 ZINC001590463361 990037688 /nfs/dbraw/zinc/03/76/88/990037688.db2.gz KFEXMYMZMDEPDR-UHFFFAOYSA-N -2 3 344.414 2.674 20 0 EFADHL CC(C)(CS(=O)(=O)[N-]c1ccc2oc(C3CC3)nc2c1)C(=O)[O-] ZINC001590811931 990641361 /nfs/dbraw/zinc/64/13/61/990641361.db2.gz BGPDHRJPNSEFRG-UHFFFAOYSA-N -2 3 338.385 2.558 20 0 EFADHL CC(C)(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)[O-] ZINC001590820239 990653206 /nfs/dbraw/zinc/65/32/06/990653206.db2.gz KSCMRKPHEWMKQN-UHFFFAOYSA-N -2 3 344.396 2.724 20 0 EFADHL CC(C)([N-]S(=O)(=O)c1c2ccccc2sc1C(=O)[O-])C(F)F ZINC001590879022 990789362 /nfs/dbraw/zinc/78/93/62/990789362.db2.gz FTEYFTDTHRCORZ-UHFFFAOYSA-N -2 3 349.380 2.922 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1 ZINC001599598672 993784048 /nfs/dbraw/zinc/78/40/48/993784048.db2.gz TYSUVUAERBISQM-UHFFFAOYSA-N -2 3 331.324 2.507 20 0 EFADHL C[C@H](c1ccc(F)cc1F)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593698256 996162556 /nfs/dbraw/zinc/16/25/56/996162556.db2.gz VEDKCCVVSKKZLC-FZIAUPGKSA-N -2 3 339.338 2.523 20 0 EFADHL CC1(C)C[C@]1(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001593864832 996669742 /nfs/dbraw/zinc/66/97/42/996669742.db2.gz JBHFYNIKVCIDPS-CQSZACIVSA-N -2 3 349.811 2.892 20 0 EFADHL COCc1cc(NC(=O)Cc2ccc([O-])c(F)c2)cc(C(=O)[O-])c1 ZINC001599283542 996933056 /nfs/dbraw/zinc/93/30/56/996933056.db2.gz NENCINZDTMDKBX-UHFFFAOYSA-N -2 3 333.315 2.557 20 0 EFADHL COc1ccc(C(=O)[O-])c(OC(=O)c2cc(-c3ccc(C)o3)[n-]n2)c1 ZINC001599492289 996961338 /nfs/dbraw/zinc/96/13/38/996961338.db2.gz MCGIIFPBOVYPAL-UHFFFAOYSA-N -2 3 342.307 2.904 20 0 EFADHL COc1ccc(C(=O)[O-])c(OC(=O)c2cc(-c3ccc(C)o3)n[n-]2)c1 ZINC001599492289 996961352 /nfs/dbraw/zinc/96/13/52/996961352.db2.gz MCGIIFPBOVYPAL-UHFFFAOYSA-N -2 3 342.307 2.904 20 0 EFADHL CO[C@@H]1CCC[C@@H]([C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])C(=O)[O-])C1 ZINC001599109978 997548804 /nfs/dbraw/zinc/54/88/04/997548804.db2.gz VQVPXZUCSBEWRV-CKEIUWERSA-N -2 3 349.427 2.904 20 0 EFADHL CO[C@@H]1CCC[C@H]([C@@H](NC(=O)c2ccc(C(C)C)cc2[O-])C(=O)[O-])C1 ZINC001599109980 997548879 /nfs/dbraw/zinc/54/88/79/997548879.db2.gz VQVPXZUCSBEWRV-JJRVBVJISA-N -2 3 349.427 2.904 20 0 EFADHL CO[C@@H]1CCC[C@@H]([C@H](NC(=O)c2ccc(C(C)C)cc2[O-])C(=O)[O-])C1 ZINC001599109979 997549370 /nfs/dbraw/zinc/54/93/70/997549370.db2.gz VQVPXZUCSBEWRV-CPUCHLNUSA-N -2 3 349.427 2.904 20 0 EFADHL COc1ccc([C@@H](NCc2cccc([O-])c2Cl)C(=O)[O-])cc1O ZINC001599530731 997647096 /nfs/dbraw/zinc/64/70/96/997647096.db2.gz HSJYJBNBEQMGQP-OAHLLOKOSA-N -2 3 337.759 2.675 20 0 EFADHL COc1cc(OC)cc([C@H](OC(=O)c2cc3occc3[n-]2)C(=O)[O-])c1 ZINC001599453491 998147896 /nfs/dbraw/zinc/14/78/96/998147896.db2.gz VVYSEMBJFCVQEK-HNNXBMFYSA-N -2 3 345.307 2.761 20 0 EFADHL CC(C)(C(=O)[N-]OC1CCCCC1)c1ccc(-c2nn[n-]n2)cc1 ZINC001589054382 1093023806 /nfs/dbraw/zinc/02/38/06/1093023806.db2.gz DIXTXAWYXCNVPE-UHFFFAOYSA-N -2 3 329.404 2.525 20 0 EFADHL CC(C)(CCNc1ccc(C(F)(F)F)cc1-c1nn[n-]n1)C(=O)[O-] ZINC001589275521 1093063509 /nfs/dbraw/zinc/06/35/09/1093063509.db2.gz CYIBJCBYNSQOKK-UHFFFAOYSA-N -2 3 343.309 2.798 20 0 EFADHL C[C@@H](CC(=O)[O-])n1cc(-c2ccc(C3CC3)c(-c3nnn[n-]3)c2)cn1 ZINC001589795788 1093150936 /nfs/dbraw/zinc/15/09/36/1093150936.db2.gz ZYMNPQUUGAABPK-JTQLQIEISA-N -2 3 338.371 2.643 20 0 EFADHL C[C@@H](CC(=O)[O-])n1cc(-c2ccc(C3CC3)c(-c3nn[n-]n3)c2)cn1 ZINC001589795788 1093150941 /nfs/dbraw/zinc/15/09/41/1093150941.db2.gz ZYMNPQUUGAABPK-JTQLQIEISA-N -2 3 338.371 2.643 20 0 EFADHL C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)c1cccc(-c2nn[n-]n2)c1 ZINC001590012237 1093220348 /nfs/dbraw/zinc/22/03/48/1093220348.db2.gz YPGIKOJAYPIMPJ-MRVPVSSYSA-N -2 3 346.293 2.769 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc1C(=O)[O-] ZINC001211601921 1093538171 /nfs/dbraw/zinc/53/81/71/1093538171.db2.gz SKEGOXWGUMMOMR-UHFFFAOYSA-N -2 3 340.788 2.730 20 0 EFADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001590894449 1093621790 /nfs/dbraw/zinc/62/17/90/1093621790.db2.gz HBYKNPSVLIAPJZ-UHFFFAOYSA-N -2 3 343.412 2.538 20 0 EFADHL COc1cc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)ccc1C ZINC001591522055 1093749158 /nfs/dbraw/zinc/74/91/58/1093749158.db2.gz BTEVMMHZSCHJMC-JXMROGBWSA-N -2 3 338.371 2.548 20 0 EFADHL COc1cc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)ccc1C ZINC001591522055 1093749163 /nfs/dbraw/zinc/74/91/63/1093749163.db2.gz BTEVMMHZSCHJMC-JXMROGBWSA-N -2 3 338.371 2.548 20 0 EFADHL CSc1ccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)cc1 ZINC001591707464 1093835051 /nfs/dbraw/zinc/83/50/51/1093835051.db2.gz NIMXXJOGAPWFAB-CMDGGOBGSA-N -2 3 340.412 2.953 20 0 EFADHL CSc1ccc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)cc1 ZINC001591707464 1093835055 /nfs/dbraw/zinc/83/50/55/1093835055.db2.gz NIMXXJOGAPWFAB-CMDGGOBGSA-N -2 3 340.412 2.953 20 0 EFADHL Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC001591863059 1093900309 /nfs/dbraw/zinc/90/03/09/1093900309.db2.gz YTHZSWZQVSXIMX-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC001591863059 1093900315 /nfs/dbraw/zinc/90/03/15/1093900315.db2.gz YTHZSWZQVSXIMX-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cc1cc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc(-c2nnn[n-]2)c1 ZINC001592030341 1093961369 /nfs/dbraw/zinc/96/13/69/1093961369.db2.gz MLCBQWADCPJLCU-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cc1cc(NC(=O)c2cc(F)cc(Cl)c2[O-])cc(-c2nn[n-]n2)c1 ZINC001592030341 1093961371 /nfs/dbraw/zinc/96/13/71/1093961371.db2.gz MLCBQWADCPJLCU-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)cc1 ZINC001592195631 1094026237 /nfs/dbraw/zinc/02/62/37/1094026237.db2.gz IPQGVKAMJAMQFO-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL O=C(CSc1cccc(F)c1-c1nnn[n-]1)c1ccc([O-])cc1 ZINC001592905082 1094203429 /nfs/dbraw/zinc/20/34/29/1094203429.db2.gz FAUZTXFOBYWFRT-UHFFFAOYSA-N -2 3 330.344 2.686 20 0 EFADHL O=C(Nc1cccc(Cl)c1[O-])c1ccc(F)c(-c2nnn[n-]2)c1 ZINC001593247411 1094252167 /nfs/dbraw/zinc/25/21/67/1094252167.db2.gz LWCOMBVFJGXNCI-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1cccc(Cl)c1[O-])c1ccc(F)c(-c2nn[n-]n2)c1 ZINC001593247411 1094252174 /nfs/dbraw/zinc/25/21/74/1094252174.db2.gz LWCOMBVFJGXNCI-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C([O-])CCC1CCN(c2cccc(Cl)c2-c2nnn[n-]2)CC1 ZINC001593278328 1094260991 /nfs/dbraw/zinc/26/09/91/1094260991.db2.gz ZBFUWYPAXZLBSV-UHFFFAOYSA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CCC1CCN(c2cccc(Cl)c2-c2nn[n-]n2)CC1 ZINC001593278328 1094260994 /nfs/dbraw/zinc/26/09/94/1094260994.db2.gz ZBFUWYPAXZLBSV-UHFFFAOYSA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CCCCCNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001593278000 1094261718 /nfs/dbraw/zinc/26/17/18/1094261718.db2.gz MLZNNGGNYNJTSN-UHFFFAOYSA-N -2 3 343.309 2.942 20 0 EFADHL O=C([O-])CCCCCNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593278000 1094261724 /nfs/dbraw/zinc/26/17/24/1094261724.db2.gz MLZNNGGNYNJTSN-UHFFFAOYSA-N -2 3 343.309 2.942 20 0 EFADHL O=C([O-])CCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001593278073 1094261949 /nfs/dbraw/zinc/26/19/49/1094261949.db2.gz PNLSRIBGYYLIJE-UHFFFAOYSA-N -2 3 329.282 2.552 20 0 EFADHL O=C([O-])[C@@H]1CC[C@H](Nc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)C1 ZINC001593279582 1094261960 /nfs/dbraw/zinc/26/19/60/1094261960.db2.gz ROQUWFDUBOBGTR-BDAKNGLRSA-N -2 3 341.293 2.551 20 0 EFADHL O=C([O-])CCCCCNc1cccc(C(F)F)c1-c1nnn[n-]1 ZINC001593277424 1094262289 /nfs/dbraw/zinc/26/22/89/1094262289.db2.gz ACTQSWBXHSAJDG-UHFFFAOYSA-N -2 3 325.319 2.861 20 0 EFADHL O=C([O-])CCCCCNc1cccc(C(F)F)c1-c1nn[n-]n1 ZINC001593277424 1094262296 /nfs/dbraw/zinc/26/22/96/1094262296.db2.gz ACTQSWBXHSAJDG-UHFFFAOYSA-N -2 3 325.319 2.861 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001593279596 1094264194 /nfs/dbraw/zinc/26/41/94/1094264194.db2.gz SNKOQECJHQNRGX-SCZZXKLOSA-N -2 3 341.293 2.551 20 0 EFADHL O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cc([S-])ccc1F ZINC001593295391 1094271637 /nfs/dbraw/zinc/27/16/37/1094271637.db2.gz NSAXRJVAFCUYDI-UHFFFAOYSA-N -2 3 348.334 2.791 20 0 EFADHL O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cc([S-])ccc1F ZINC001593295391 1094271642 /nfs/dbraw/zinc/27/16/42/1094271642.db2.gz NSAXRJVAFCUYDI-UHFFFAOYSA-N -2 3 348.334 2.791 20 0 EFADHL O=C(OCc1ccc(F)cc1-c1nnn[n-]1)c1cc([S-])ccc1F ZINC001593299176 1094272858 /nfs/dbraw/zinc/27/28/58/1094272858.db2.gz QBQPHNDRWHBCIJ-UHFFFAOYSA-N -2 3 348.334 2.791 20 0 EFADHL O=C(OCc1ccc(F)cc1-c1nn[n-]n1)c1cc([S-])ccc1F ZINC001593299176 1094272863 /nfs/dbraw/zinc/27/28/63/1094272863.db2.gz QBQPHNDRWHBCIJ-UHFFFAOYSA-N -2 3 348.334 2.791 20 0 EFADHL Cc1cc(=O)[n-]c(C(C)(C)NC(=O)c2cc(C(=O)[O-])ccc2Cl)n1 ZINC001600063976 1094748911 /nfs/dbraw/zinc/74/89/11/1094748911.db2.gz CMDPQDXMDXMOFB-UHFFFAOYSA-N -2 3 349.774 2.507 20 0 EFADHL Cc1cc(=O)[n-]c(CSCCOc2ccc(C=CC(=O)[O-])cc2)n1 ZINC001600286170 1094945747 /nfs/dbraw/zinc/94/57/47/1094945747.db2.gz UVOVQJKSZMDZEX-QPJJXVBHSA-N -2 3 346.408 2.901 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)C2=CCCC2)oc1C(=O)[O-] ZINC001600298802 1094952971 /nfs/dbraw/zinc/95/29/71/1094952971.db2.gz COTRBHJHYIJRJN-UHFFFAOYSA-N -2 3 327.402 2.701 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc3ccccc3c2)oc1C(=O)[O-] ZINC001600300706 1094953784 /nfs/dbraw/zinc/95/37/84/1094953784.db2.gz ZZZFJXGOHSLAHU-UHFFFAOYSA-N -2 3 345.376 2.918 20 0 EFADHL Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c([O-])c1C ZINC001600344922 1094987406 /nfs/dbraw/zinc/98/74/06/1094987406.db2.gz PCCOQMPXJAOZNO-JTQLQIEISA-N -2 3 346.408 2.907 20 0 EFADHL Cc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc([O-])c(F)c2)cc1 ZINC001600371596 1095010395 /nfs/dbraw/zinc/01/03/95/1095010395.db2.gz JKSPUAJTJOEWOI-HNNXBMFYSA-N -2 3 331.343 2.714 20 0 EFADHL Cc1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c(C(=O)[O-])c1C ZINC001600455930 1095080379 /nfs/dbraw/zinc/08/03/79/1095080379.db2.gz IVLYSWSHMLUTHN-UHFFFAOYSA-N -2 3 327.340 2.627 20 0 EFADHL Cc1ccc([O-])c(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c1 ZINC001600465383 1095087673 /nfs/dbraw/zinc/08/76/73/1095087673.db2.gz WPLXCUIOXXQAKI-VIFPVBQESA-N -2 3 332.381 2.599 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C(=O)[O-])C2CCCCC2)c(F)c1F ZINC001600478218 1095095881 /nfs/dbraw/zinc/09/58/81/1095095881.db2.gz GCZLKJUZSLJZBL-CQSZACIVSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ncc(C(=O)[O-])cc2Cl)cc1C ZINC001600483721 1095099508 /nfs/dbraw/zinc/09/95/08/1095099508.db2.gz KVIYOKXFYCWNPJ-UHFFFAOYSA-N -2 3 340.788 2.851 20 0 EFADHL Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001600536681 1095144955 /nfs/dbraw/zinc/14/49/55/1095144955.db2.gz YHLGURAPGNHJNJ-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cccc([O-])c1C(=O)N[C@@H]1CCSC2(CC(C(=O)[O-])C2)C1 ZINC001600542572 1095148403 /nfs/dbraw/zinc/14/84/03/1095148403.db2.gz JLEWAACFOJKHTI-VMBJYNEYSA-N -2 3 335.425 2.559 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)C[C@H](C(=O)[O-])c2ccccc2)c1F ZINC001600542204 1095149454 /nfs/dbraw/zinc/14/94/54/1095149454.db2.gz BSXMWLYZYAXIAF-ZDUSSCGKSA-N -2 3 337.372 2.744 20 0 EFADHL Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001600565534 1095169459 /nfs/dbraw/zinc/16/94/59/1095169459.db2.gz HWJFHCZOFGZDJY-UHFFFAOYSA-N -2 3 337.397 2.542 20 0 EFADHL Cc1ccccc1[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)C1 ZINC001600588900 1095192412 /nfs/dbraw/zinc/19/24/12/1095192412.db2.gz UHNUQLPRXWZECT-HAQNSBGRSA-N -2 3 335.381 2.511 20 0 EFADHL Cc1coc(CC(=O)[O-])c1C(=O)[N-]c1nc(-c2ccccc2)no1 ZINC001600642553 1095232036 /nfs/dbraw/zinc/23/20/36/1095232036.db2.gz ANIFZBPIKWWGOS-UHFFFAOYSA-N -2 3 327.296 2.517 20 0 EFADHL Cc1csc(C(=O)[O-])c1S(=O)(=O)[N-][C@@H](C(C)C)C(F)(F)F ZINC001600653448 1095236721 /nfs/dbraw/zinc/23/67/21/1095236721.db2.gz CSNJWIAKTLBBTQ-VIFPVBQESA-N -2 3 345.364 2.620 20 0 EFADHL Cc1ncc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1C(=O)[O-] ZINC001600746601 1095305316 /nfs/dbraw/zinc/30/53/16/1095305316.db2.gz AEJGRISTAAGBCX-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-][C@@H](c1ccccc1)C(F)F ZINC001600836755 1095370289 /nfs/dbraw/zinc/37/02/89/1095370289.db2.gz QDAYTMQFSBWFMZ-LBPRGKRZSA-N -2 3 345.323 2.571 20 0 EFADHL Cc1sc([N-]C(=O)c2nnc(-c3ccco3)o2)c(C(=O)[O-])c1C ZINC001600888350 1095409233 /nfs/dbraw/zinc/40/92/33/1095409233.db2.gz BBMLITNOGGAOCX-UHFFFAOYSA-N -2 3 333.325 2.958 20 0 EFADHL Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1ccccc1[O-] ZINC001600907941 1095420587 /nfs/dbraw/zinc/42/05/87/1095420587.db2.gz CEYGGCTXXDKKIE-AWEZNQCLSA-N -2 3 328.368 2.796 20 0 EFADHL O=C([O-])c1cccc(CO[N-]C(=O)Cc2cccc3ccccc32)n1 ZINC001601366926 1095640421 /nfs/dbraw/zinc/64/04/21/1095640421.db2.gz WOMNPDLVLQIEJH-UHFFFAOYSA-N -2 3 336.347 2.724 20 0 EFADHL O=C([O-])[C@@H]1CCc2sc(NC(=O)[N-]OCc3ccccc3)nc2C1 ZINC001601563421 1095733808 /nfs/dbraw/zinc/73/38/08/1095733808.db2.gz ZGUIZEADKRPEGN-LLVKDONJSA-N -2 3 347.396 2.586 20 0 EFADHL O=C([O-])c1c(F)ccc(F)c1[N-]C(=O)c1scc2c1OCCO2 ZINC001601579951 1095741859 /nfs/dbraw/zinc/74/18/59/1095741859.db2.gz CDPFTNWVHBQQQL-UHFFFAOYSA-N -2 3 341.291 2.748 20 0 EFADHL O=C([O-])c1cccc2[nH]c(NC(=O)c3cc([O-])ccc3Cl)nc21 ZINC001601632915 1095774673 /nfs/dbraw/zinc/77/46/73/1095774673.db2.gz NINPJAISDIRYRQ-UHFFFAOYSA-N -2 3 331.715 2.872 20 0 EFADHL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccc(O)cc1 ZINC001601664616 1095794539 /nfs/dbraw/zinc/79/45/39/1095794539.db2.gz NCHKCMLZFYNWPW-ZDUSSCGKSA-N -2 3 339.269 2.565 20 0 EFADHL O=C([O-])[C@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccsc1 ZINC001601664452 1095794999 /nfs/dbraw/zinc/79/49/99/1095794999.db2.gz LMJTUKPJYRAWOH-LLVKDONJSA-N -2 3 329.299 2.921 20 0 EFADHL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1ccc(F)cc1)c1ccsc1 ZINC001601664453 1095795225 /nfs/dbraw/zinc/79/52/25/1095795225.db2.gz LMJTUKPJYRAWOH-NSHDSACASA-N -2 3 329.299 2.921 20 0 EFADHL O=C([O-])[C@H](c1ccc(Cl)cc1)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001601688709 1095820000 /nfs/dbraw/zinc/82/00/00/1095820000.db2.gz HTXWSCPLTPTPKT-AWEZNQCLSA-N -2 3 345.786 2.855 20 0 EFADHL O=C([O-])[C@H](SCCc1nnn[n-]1)c1ccc(Cl)cc1Cl ZINC001601690982 1095824352 /nfs/dbraw/zinc/82/43/52/1095824352.db2.gz PASXSPDZMGLROR-SNVBAGLBSA-N -2 3 333.200 2.608 20 0 EFADHL O=C([O-])[C@H](SCCc1nn[n-]n1)c1ccc(Cl)cc1Cl ZINC001601690982 1095824377 /nfs/dbraw/zinc/82/43/77/1095824377.db2.gz PASXSPDZMGLROR-SNVBAGLBSA-N -2 3 333.200 2.608 20 0 EFADHL O=C([O-])[C@@H](c1ccccc1Cl)N1Cc2nc(C3CC3)[n-]c(=O)c2C1 ZINC001601695957 1095832074 /nfs/dbraw/zinc/83/20/74/1095832074.db2.gz RJQGWUUVWUMGQX-CQSZACIVSA-N -2 3 345.786 2.855 20 0 EFADHL O=C([O-])C1(CS(=O)(=O)[N-]c2cccc3ccncc32)CCCC1 ZINC001601716208 1095860272 /nfs/dbraw/zinc/86/02/72/1095860272.db2.gz PKORSKWGTXMESA-UHFFFAOYSA-N -2 3 334.397 2.622 20 0 EFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(Cl)s2)CCCC1 ZINC001601922274 1095978207 /nfs/dbraw/zinc/97/82/07/1095978207.db2.gz KFANBJHRCIANNV-UHFFFAOYSA-N -2 3 337.850 2.715 20 0 EFADHL O=C([O-])CCCO[N-]C(=O)CCc1cccc(OC2CCCC2)c1 ZINC001601995327 1096012306 /nfs/dbraw/zinc/01/23/06/1096012306.db2.gz PPSAREPHYRZZAB-UHFFFAOYSA-N -2 3 335.400 2.853 20 0 EFADHL O=C([O-])CCCOc1ccc(NC(=O)c2c([O-])cccc2O)cc1 ZINC001601997624 1096013849 /nfs/dbraw/zinc/01/38/49/1096013849.db2.gz WDDCIFGUMVXKGV-UHFFFAOYSA-N -2 3 331.324 2.594 20 0 EFADHL O=C([O-])Cc1cccc(NC(=O)c2ccc3c(c2[O-])CCCC3)n1 ZINC001602140372 1096087406 /nfs/dbraw/zinc/08/74/06/1096087406.db2.gz JRWSTMKHURKPHD-UHFFFAOYSA-N -2 3 326.352 2.545 20 0 EFADHL O=C([O-])[C@@H]1CN(C(=O)c2cc([O-])ccc2Cl)C[C@H]1c1ccccc1 ZINC001602186597 1096107876 /nfs/dbraw/zinc/10/78/76/1096107876.db2.gz UOOIYTVTZGQGMO-LSDHHAIUSA-N -2 3 345.782 2.986 20 0 EFADHL O=C([O-])c1cc(C2CCN(Cc3ccc(C(=O)[O-])s3)CC2)no1 ZINC001602253302 1096139642 /nfs/dbraw/zinc/13/96/42/1096139642.db2.gz VGMZTHUWTZTVKX-UHFFFAOYSA-N -2 3 336.369 2.512 20 0 EFADHL O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC001602263639 1096148618 /nfs/dbraw/zinc/14/86/18/1096148618.db2.gz FMFCVNCRFBSVAS-UHFFFAOYSA-N -2 3 333.731 2.664 20 0 EFADHL O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)c1ccc(O)cc1[O-])CCC2 ZINC001602412319 1096229392 /nfs/dbraw/zinc/22/93/92/1096229392.db2.gz UVQASKFSCULRDV-CYBMUJFWSA-N -2 3 341.363 2.646 20 0 EFADHL O=C([O-])c1cccc2c1OCCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC001602462153 1096257462 /nfs/dbraw/zinc/25/74/62/1096257462.db2.gz XRQMMWBKEXEFHD-UHFFFAOYSA-N -2 3 347.754 2.779 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H]1CCC[C@H]1c1ccccc1 ZINC001602489319 1096270346 /nfs/dbraw/zinc/27/03/46/1096270346.db2.gz ZMFCGWYVBZXHFL-KGLIPLIRSA-N -2 3 349.408 2.840 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCc2c1cccc2Cl ZINC001602489144 1096270437 /nfs/dbraw/zinc/27/04/37/1096270437.db2.gz UCRGNGWHMVRVKJ-LBPRGKRZSA-N -2 3 341.772 2.597 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001602488394 1096270986 /nfs/dbraw/zinc/27/09/86/1096270986.db2.gz GPYDSTQGQFVZEO-GRYCIOLGSA-N -2 3 327.402 2.615 20 0 EFADHL O=C([O-])c1coc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c1 ZINC001602550457 1096294528 /nfs/dbraw/zinc/29/45/28/1096294528.db2.gz CNISCNLXVQMJLO-UHFFFAOYSA-N -2 3 329.337 2.672 20 0 EFADHL CC(=Cc1ccc2cnccc2c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602905997 1096396086 /nfs/dbraw/zinc/39/60/86/1096396086.db2.gz JZOPNXAVWYCADR-JXMROGBWSA-N -2 3 345.366 2.779 20 0 EFADHL CC(=Cc1ccc2cnccc2c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602905997 1096396091 /nfs/dbraw/zinc/39/60/91/1096396091.db2.gz JZOPNXAVWYCADR-JXMROGBWSA-N -2 3 345.366 2.779 20 0 EFADHL C[C@@H](C(=O)[O-])c1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC001603222093 1096477948 /nfs/dbraw/zinc/47/79/48/1096477948.db2.gz XIVSCLFXKCSRRY-SNVBAGLBSA-N -2 3 337.335 2.776 20 0 EFADHL CC(C)C[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)C(=O)[O-] ZINC001603265103 1096487994 /nfs/dbraw/zinc/48/79/94/1096487994.db2.gz PCUMQKVBFPTKPJ-LBPRGKRZSA-N -2 3 340.387 2.574 20 0 EFADHL CC(C)C[C@@H](CNc1nc2ccccc2cc1-c1nn[n-]n1)C(=O)[O-] ZINC001603265103 1096487997 /nfs/dbraw/zinc/48/79/97/1096487997.db2.gz PCUMQKVBFPTKPJ-LBPRGKRZSA-N -2 3 340.387 2.574 20 0 EFADHL CC(C)Oc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1 ZINC001603369899 1096515979 /nfs/dbraw/zinc/51/59/79/1096515979.db2.gz JYEPKKNTVCLAJV-UHFFFAOYSA-N -2 3 339.355 2.612 20 0 EFADHL C[C@@H](Nc1cccc(F)c1-c1nnn[n-]1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603684031 1096589245 /nfs/dbraw/zinc/58/92/45/1096589245.db2.gz SGQSCTJBALFFNZ-KXUCPTDWSA-N -2 3 333.367 2.553 20 0 EFADHL C[C@@H](Nc1cccc(F)c1-c1nn[n-]n1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603684031 1096589251 /nfs/dbraw/zinc/58/92/51/1096589251.db2.gz SGQSCTJBALFFNZ-KXUCPTDWSA-N -2 3 333.367 2.553 20 0 EFADHL CC(C)[C@@H](NC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001603731679 1096606148 /nfs/dbraw/zinc/60/61/48/1096606148.db2.gz BACNPHKBYAAVRS-QGZVFWFLSA-N -2 3 327.380 2.822 20 0 EFADHL CC1(C)C[C@]1(C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1ccccc1 ZINC001603764693 1096618537 /nfs/dbraw/zinc/61/85/37/1096618537.db2.gz IEBGYXIVAJQLKF-LJQANCHMSA-N -2 3 349.394 2.645 20 0 EFADHL CC1(C)C[C@]1(C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1ccccc1 ZINC001603764693 1096618540 /nfs/dbraw/zinc/61/85/40/1096618540.db2.gz IEBGYXIVAJQLKF-LJQANCHMSA-N -2 3 349.394 2.645 20 0 EFADHL CC1(C)CCC[C@@](NC(=O)c2cc(=O)c3ccccc3[n-]2)(C(=O)[O-])C1 ZINC001604526694 1096892818 /nfs/dbraw/zinc/89/28/18/1096892818.db2.gz AFOSKZUEZVXOBR-IBGZPJMESA-N -2 3 342.395 2.682 20 0 EFADHL CC1(C)[C@@H](C[N-]S(=O)(=O)c2occc2C(=O)[O-])[C@@H]1c1ccccc1 ZINC001604560574 1096903300 /nfs/dbraw/zinc/90/33/00/1096903300.db2.gz JIAWMZMRNOZCHJ-KBPBESRZSA-N -2 3 349.408 2.696 20 0 EFADHL CN(C(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(-c2nnn[n-]2)c1 ZINC001604650821 1096923270 /nfs/dbraw/zinc/92/32/70/1096923270.db2.gz WCYDHYXRVRNOAU-UHFFFAOYSA-N -2 3 347.737 2.641 20 0 EFADHL CN(C(=O)c1cc(F)c([O-])c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC001604650821 1096923275 /nfs/dbraw/zinc/92/32/75/1096923275.db2.gz WCYDHYXRVRNOAU-UHFFFAOYSA-N -2 3 347.737 2.641 20 0 EFADHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(F)(F)F ZINC001604945098 1096984962 /nfs/dbraw/zinc/98/49/62/1096984962.db2.gz KORSWWXSWVOHTE-HZGVNTEJSA-N -2 3 345.364 2.702 20 0 EFADHL CC[C@](CNC(=O)c1c(C)cccc1[O-])(C(=O)[O-])c1ccccc1 ZINC001605035765 1097007765 /nfs/dbraw/zinc/00/77/65/1097007765.db2.gz QEYYCGWXZWXJAH-LJQANCHMSA-N -2 3 327.380 2.863 20 0 EFADHL CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001605228148 1097059567 /nfs/dbraw/zinc/05/95/67/1097059567.db2.gz ICFQVFXWBAAFNO-VXGBXAGGSA-N -2 3 329.418 2.863 20 0 EFADHL CCCCC1([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC001605253117 1097068812 /nfs/dbraw/zinc/06/88/12/1097068812.db2.gz JCCCSYWKSLKPHP-UHFFFAOYSA-N -2 3 333.356 2.664 20 0 EFADHL CCCCC[C@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC001605260076 1097072081 /nfs/dbraw/zinc/07/20/81/1097072081.db2.gz HNOANHQSQDJVDR-LBPRGKRZSA-N -2 3 335.372 2.585 20 0 EFADHL CCCCOc1ccc(C(=O)NCc2cc(C(=O)[O-])co2)c([O-])c1 ZINC001605286093 1097082015 /nfs/dbraw/zinc/08/20/15/1097082015.db2.gz NRKSHVCYNCLXSO-UHFFFAOYSA-N -2 3 333.340 2.792 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(=O)[O-])o2)c([O-])c1 ZINC001605570669 1097161514 /nfs/dbraw/zinc/16/15/14/1097161514.db2.gz FALOFQOIAKFUKU-VMPITWQZSA-N -2 3 345.307 2.512 20 0 EFADHL CCc1cccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1[O-] ZINC001605825675 1097240129 /nfs/dbraw/zinc/24/01/29/1097240129.db2.gz BCKQCUREUFVJNQ-INIZCTEOSA-N -2 3 325.364 2.779 20 0 EFADHL O=P([O-])([O-])C1(Nc2cc3cc[nH]c3cn2)Cc2ccccc2C1 ZINC001167931721 1097316627 /nfs/dbraw/zinc/31/66/27/1097316627.db2.gz IZAAEQUMAKKDMW-UHFFFAOYSA-N -2 3 329.296 2.648 20 0 EFADHL Cn1cnc2ccc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)cc21 ZINC001167933819 1097334536 /nfs/dbraw/zinc/33/45/36/1097334536.db2.gz CUIJJVNLNQZOLO-UHFFFAOYSA-N -2 3 343.323 2.658 20 0 EFADHL O=C([O-])CCc1cccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC001606215564 1097352812 /nfs/dbraw/zinc/35/28/12/1097352812.db2.gz LNTIFKWYISKGJS-UHFFFAOYSA-N -2 3 341.289 2.830 20 0 EFADHL COC(=O)c1cc(C(=O)Oc2c(C(=O)[O-])ccc3ccccc32)c[n-]1 ZINC001606536979 1097415476 /nfs/dbraw/zinc/41/54/76/1097415476.db2.gz AIASGRLMKNECCC-UHFFFAOYSA-N -2 3 339.303 2.872 20 0 EFADHL O=C([N-]Oc1cccc(-c2nnn[n-]2)c1)C(F)=CC1CCCCC1 ZINC001606863541 1097464245 /nfs/dbraw/zinc/46/42/45/1097464245.db2.gz FHEBLBOVCOGJRD-ZROIWOOFSA-N -2 3 331.351 2.710 20 0 EFADHL O=C([N-]Oc1cccc(-c2nn[n-]n2)c1)C(F)=CC1CCCCC1 ZINC001606863541 1097464248 /nfs/dbraw/zinc/46/42/48/1097464248.db2.gz FHEBLBOVCOGJRD-ZROIWOOFSA-N -2 3 331.351 2.710 20 0 EFADHL O=C(Nc1cc(F)cc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1[O-] ZINC001606904208 1097470018 /nfs/dbraw/zinc/47/00/18/1097470018.db2.gz YZFLORJBCYVUSG-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1cc(F)cc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1[O-] ZINC001606904208 1097470022 /nfs/dbraw/zinc/47/00/22/1097470022.db2.gz YZFLORJBCYVUSG-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cc3ccccc3o2)n1 ZINC001606962481 1097481335 /nfs/dbraw/zinc/48/13/35/1097481335.db2.gz YVYSPNJVKKGHCU-ALCCZGGFSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cc3ccccc3o2)n1 ZINC001606962481 1097481336 /nfs/dbraw/zinc/48/13/36/1097481336.db2.gz YVYSPNJVKKGHCU-ALCCZGGFSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])C1(CNc2cc(-c3nn[n-]n3)ccc2C(F)(F)F)CCC1 ZINC001606960021 1097481429 /nfs/dbraw/zinc/48/14/29/1097481429.db2.gz OMUQSFXLNVEIES-UHFFFAOYSA-N -2 3 341.293 2.552 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cc1-c1nnn[n-]1 ZINC001606958441 1097481631 /nfs/dbraw/zinc/48/16/31/1097481631.db2.gz UVRAMPILDCUWGH-SCZZXKLOSA-N -2 3 341.293 2.551 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cc1-c1nn[n-]n1 ZINC001606958441 1097481633 /nfs/dbraw/zinc/48/16/33/1097481633.db2.gz UVRAMPILDCUWGH-SCZZXKLOSA-N -2 3 341.293 2.551 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccc(F)cc2Cl)n1 ZINC001606962045 1097481852 /nfs/dbraw/zinc/48/18/52/1097481852.db2.gz BAHPKZGNBIKOOW-DJWKRKHSSA-N -2 3 345.721 2.923 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccc(F)cc2Cl)n1 ZINC001606962045 1097481854 /nfs/dbraw/zinc/48/18/54/1097481854.db2.gz BAHPKZGNBIKOOW-DJWKRKHSSA-N -2 3 345.721 2.923 20 0 EFADHL COc1ccc([C@@H](NCc2ccc(C(=O)[O-])c(C)c2)C(=O)[O-])cc1F ZINC001607234001 1097568680 /nfs/dbraw/zinc/56/86/80/1097568680.db2.gz FSEQJFSNNZCUJP-MRXNPFEDSA-N -2 3 347.342 2.756 20 0 EFADHL COc1ccc([O-])c(-c2nc(COc3cccc(C(=O)[O-])c3)no2)c1 ZINC001607277173 1097582501 /nfs/dbraw/zinc/58/25/01/1097582501.db2.gz XBNSZFZZHCYUQM-UHFFFAOYSA-N -2 3 342.307 2.728 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)c1 ZINC001607276961 1097582781 /nfs/dbraw/zinc/58/27/81/1097582781.db2.gz HACJTHAJDLQULD-UHFFFAOYSA-N -2 3 338.319 2.900 20 0 EFADHL COc1cccc([C@H](NC(=O)c2cc(SC)ccc2[O-])C(=O)[O-])c1 ZINC001607331537 1097603310 /nfs/dbraw/zinc/60/33/10/1097603310.db2.gz XBXSEWTWCYNTJP-HNNXBMFYSA-N -2 3 347.392 2.678 20 0 EFADHL COc1cccc2c(C(=O)OCc3ccc(C(=O)[O-])cc3F)n[n-]c21 ZINC001607334636 1097605441 /nfs/dbraw/zinc/60/54/41/1097605441.db2.gz ZMUOVSXIKATMPX-UHFFFAOYSA-N -2 3 344.298 2.766 20 0 EFADHL COc1cccc2c(C(=O)OCc3ccc(C(=O)[O-])cc3F)[n-]nc21 ZINC001607334636 1097605443 /nfs/dbraw/zinc/60/54/43/1097605443.db2.gz ZMUOVSXIKATMPX-UHFFFAOYSA-N -2 3 344.298 2.766 20 0 EFADHL C[C@@H](C(=O)[O-])N(C)C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001607416203 1097624237 /nfs/dbraw/zinc/62/42/37/1097624237.db2.gz HZIQDIYUYPDYIW-ZDUSSCGKSA-N -2 3 327.380 2.723 20 0 EFADHL Cc1c(C(=O)[O-])sc2[n-]c(COCc3ccccc3)nc(=O)c12 ZINC001607524901 1097651000 /nfs/dbraw/zinc/65/10/00/1097651000.db2.gz PQAGVBNKHAJFLX-UHFFFAOYSA-N -2 3 330.365 2.708 20 0 EFADHL Cc1c(C[N-]S(=O)(=O)c2occc2C(=O)[O-])oc2ccccc12 ZINC001607528194 1097652672 /nfs/dbraw/zinc/65/26/72/1097652672.db2.gz DCCIIUDQRNPODA-UHFFFAOYSA-N -2 3 335.337 2.511 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)C2CCCCC2)oc1C(=O)[O-] ZINC001607706163 1097703897 /nfs/dbraw/zinc/70/38/97/1097703897.db2.gz XJMWKRGJHMLTFB-UHFFFAOYSA-N -2 3 329.418 2.923 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCCC2)c(F)cc1F ZINC001607705008 1097704341 /nfs/dbraw/zinc/70/43/41/1097704341.db2.gz BBDIDYVGUUZFQT-CYBMUJFWSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)oc1C(=O)[O-] ZINC001607706483 1097704397 /nfs/dbraw/zinc/70/43/97/1097704397.db2.gz URPAWDZDGBPQRH-SDDRHHMPSA-N -2 3 327.402 2.533 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@]2(C)CCCC[C@H]2C(=O)[O-])c(F)cc1F ZINC001607706621 1097704869 /nfs/dbraw/zinc/70/48/69/1097704869.db2.gz XWNNWWKISVVHHO-BONVTDFDSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1ccc(CC(C)(C)[N-]S(=O)(=O)c2occc2C(=O)[O-])cc1 ZINC001607773660 1097727789 /nfs/dbraw/zinc/72/77/89/1097727789.db2.gz RJUWHMNCTQINRX-UHFFFAOYSA-N -2 3 337.397 2.586 20 0 EFADHL Cc1ccc(CCC[N-]S(=O)(=O)c2occc2C(=O)[O-])c(C)c1 ZINC001607774588 1097728404 /nfs/dbraw/zinc/72/84/04/1097728404.db2.gz FQCUFCAGDYXERR-UHFFFAOYSA-N -2 3 337.397 2.506 20 0 EFADHL O=C([O-])[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccc(O)c1 ZINC001608305379 1097888626 /nfs/dbraw/zinc/88/86/26/1097888626.db2.gz LASBEYPTZFLPNQ-QGZVFWFLSA-N -2 3 347.342 2.502 20 0 EFADHL O=C([O-])c1cncc(COC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC001608305856 1097889261 /nfs/dbraw/zinc/88/92/61/1097889261.db2.gz UDZXJVISUISFPB-UHFFFAOYSA-N -2 3 333.315 2.691 20 0 EFADHL O=C([O-])c1c(F)ccc(F)c1[N-]C(=O)c1ncoc1-c1ccon1 ZINC001608496605 1097932026 /nfs/dbraw/zinc/93/20/26/1097932026.db2.gz RHLWGVSMGWARSW-UHFFFAOYSA-N -2 3 335.222 2.558 20 0 EFADHL O=C([O-])[C@H](SCCc1nnn[n-]1)c1cc(Cl)cc(Cl)c1 ZINC001608556239 1097951920 /nfs/dbraw/zinc/95/19/20/1097951920.db2.gz CKJOUWXPCBBRRL-SNVBAGLBSA-N -2 3 333.200 2.608 20 0 EFADHL O=C([O-])[C@H](SCCc1nn[n-]n1)c1cc(Cl)cc(Cl)c1 ZINC001608556239 1097951928 /nfs/dbraw/zinc/95/19/28/1097951928.db2.gz CKJOUWXPCBBRRL-SNVBAGLBSA-N -2 3 333.200 2.608 20 0 EFADHL O=C([O-])[C@H](c1cccc(Cl)c1Cl)N1CCC[C@H](C(=O)[O-])C1 ZINC001608562034 1097953989 /nfs/dbraw/zinc/95/39/89/1097953989.db2.gz QTONCNPIOKHGGC-UFBFGSQYSA-N -2 3 332.183 2.916 20 0 EFADHL O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCC[C@@H](C(=O)[O-])C1 ZINC001608562032 1097954928 /nfs/dbraw/zinc/95/49/28/1097954928.db2.gz QTONCNPIOKHGGC-PRHODGIISA-N -2 3 332.183 2.916 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c(F)cc1Cl ZINC001608860777 1098048057 /nfs/dbraw/zinc/04/80/57/1098048057.db2.gz ZEWPUDDGGLABMW-LWINAJNOSA-N -2 3 347.795 2.644 20 0 EFADHL O=C([O-])c1ccc(-c2nc(CNC3(C(=O)[O-])CCCC3)cs2)cc1 ZINC001608868720 1098051226 /nfs/dbraw/zinc/05/12/26/1098051226.db2.gz CSHUKLPEJCTNAI-UHFFFAOYSA-N -2 3 346.408 2.995 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCc3ccc(Cl)cc32)o1 ZINC001608911567 1098069652 /nfs/dbraw/zinc/06/96/52/1098069652.db2.gz QYWAEHLGQJIXFJ-LLVKDONJSA-N -2 3 341.772 2.597 20 0 EFADHL O=C([O-])c1cccnc1SCc1noc(-c2ccccc2[O-])n1 ZINC001608950336 1098087183 /nfs/dbraw/zinc/08/71/83/1098087183.db2.gz KAUVPCNFWSIXCD-UHFFFAOYSA-N -2 3 329.337 2.828 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCCC12CCCCC2 ZINC001608956415 1098090692 /nfs/dbraw/zinc/09/06/92/1098090692.db2.gz SOGIVMNQUXRBJW-GFCCVEGCSA-N -2 3 327.402 2.759 20 0 EFADHL O=C([O-])c1ccc(Cl)cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC001609044217 1098120013 /nfs/dbraw/zinc/12/00/13/1098120013.db2.gz MWWXYVIQKMEXRQ-MDWZMJQESA-N -2 3 342.738 2.761 20 0 EFADHL O=C(Nc1ccc(F)c(C2CC2)c1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001609564950 1098381363 /nfs/dbraw/zinc/38/13/63/1098381363.db2.gz UIXFNDYWOTUSKB-UHFFFAOYSA-N -2 3 339.330 2.841 20 0 EFADHL O=C([O-])c1cccc2oc(C=Cc3ccc(-c4nnn[n-]4)cc3)nc21 ZINC001609572604 1098385119 /nfs/dbraw/zinc/38/51/19/1098385119.db2.gz FILAZOMKUNIIBH-TWGQIWQCSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1cccc2oc(C=Cc3ccc(-c4nn[n-]n4)cc3)nc21 ZINC001609572604 1098385123 /nfs/dbraw/zinc/38/51/23/1098385123.db2.gz FILAZOMKUNIIBH-TWGQIWQCSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc2nc(C=Cc3ccc(-c4nnn[n-]4)cc3)oc2c1 ZINC001609572646 1098385220 /nfs/dbraw/zinc/38/52/20/1098385220.db2.gz GTQBDTUJZRRQGN-BAQGIRSFSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc2nc(C=Cc3ccc(-c4nn[n-]n4)cc3)oc2c1 ZINC001609572646 1098385226 /nfs/dbraw/zinc/38/52/26/1098385226.db2.gz GTQBDTUJZRRQGN-BAQGIRSFSA-N -2 3 333.307 2.877 20 0 EFADHL O=S(=O)(CCC1CC1)[N-]c1cc2ccccc2cc1-c1nn[n-]n1 ZINC001609591949 1098393802 /nfs/dbraw/zinc/39/38/02/1098393802.db2.gz IJVXALBEKFQIKM-UHFFFAOYSA-N -2 3 343.412 2.562 20 0 EFADHL O=c1nc(CSc2ccc(-c3nnn[n-]3)cc2)[n-]c2ccsc21 ZINC001609604480 1098396367 /nfs/dbraw/zinc/39/63/67/1098396367.db2.gz SBNGJCVOIFHFRJ-UHFFFAOYSA-N -2 3 342.409 2.869 20 0 EFADHL O=c1nc(CSc2ccc(-c3nn[n-]n3)cc2)[n-]c2ccsc21 ZINC001609604480 1098396375 /nfs/dbraw/zinc/39/63/75/1098396375.db2.gz SBNGJCVOIFHFRJ-UHFFFAOYSA-N -2 3 342.409 2.869 20 0 EFADHL CC(C)Oc1c(NC(=O)NCc2ncccc2[O-])cccc1C(=O)[O-] ZINC001609711908 1098434852 /nfs/dbraw/zinc/43/48/52/1098434852.db2.gz IJUBBHKKRLLQKO-UHFFFAOYSA-N -2 3 345.355 2.594 20 0 EFADHL CCCCCC(C)(C)C[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609964896 1098508936 /nfs/dbraw/zinc/50/89/36/1098508936.db2.gz PXQJOJCRBDRHTB-UHFFFAOYSA-N -2 3 334.463 2.726 20 0 EFADHL CCc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1F ZINC001610060016 1098533741 /nfs/dbraw/zinc/53/37/41/1098533741.db2.gz MYQJGEIUUFQBIS-UHFFFAOYSA-N -2 3 339.344 2.593 20 0 EFADHL CCc1cccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)c1[O-] ZINC001610065637 1098536403 /nfs/dbraw/zinc/53/64/03/1098536403.db2.gz YHQXXFKETQXFTN-UHFFFAOYSA-N -2 3 329.352 2.695 20 0 EFADHL COC(=O)c1cnc(S[C@H](Cc2ccc(Cl)cc2)C(=O)[O-])[n-]1 ZINC001610195181 1098565995 /nfs/dbraw/zinc/56/59/95/1098565995.db2.gz DOHKIWJVEROSRE-LLVKDONJSA-N -2 3 340.788 2.638 20 0 EFADHL COC(=O)c1cnc(S[C@@H](C(=O)[O-])c2ccccc2Cl)[n-]1 ZINC001610197087 1098567233 /nfs/dbraw/zinc/56/72/33/1098567233.db2.gz XWEBOPAKYRQQTI-SNVBAGLBSA-N -2 3 326.761 2.768 20 0 EFADHL COc1ccccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1Cl ZINC001610367739 1098642802 /nfs/dbraw/zinc/64/28/02/1098642802.db2.gz OYOQJOYTIQQAQB-UHFFFAOYSA-N -2 3 341.772 2.848 20 0 EFADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1C ZINC001610502333 1098717962 /nfs/dbraw/zinc/71/79/62/1098717962.db2.gz PSOWOSYOODXACA-UHFFFAOYSA-N -2 3 340.788 2.851 20 0 EFADHL Cc1nc(C=Cc2cc(C(=O)[O-])ccc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC001610554750 1098749148 /nfs/dbraw/zinc/74/91/48/1098749148.db2.gz JIZFIJGATWSELM-HWKANZROSA-N -3 3 348.742 2.640 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c(=O)[n-]1 ZINC001610553708 1098749208 /nfs/dbraw/zinc/74/92/08/1098749208.db2.gz WXHQLRFYELNMSW-JTQLQIEISA-N -2 3 343.383 2.558 20 0 EFADHL O=C([O-])c1ccc(Cl)cc1S(=O)(=O)[N-][C@@H]1CCCC1(F)F ZINC001610833233 1098923360 /nfs/dbraw/zinc/92/33/60/1098923360.db2.gz RWKYCUHRHOQUIZ-SNVBAGLBSA-N -2 3 339.747 2.504 20 0 EFADHL O=C([O-])c1cccc(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)c1Cl ZINC001610845983 1098932303 /nfs/dbraw/zinc/93/23/03/1098932303.db2.gz LXKOCBQAPBGOGJ-JTQLQIEISA-N -2 3 337.763 2.506 20 0 EFADHL O=C(Nc1cc(-c2nn[n-]n2)ccc1F)c1ccc([O-])c(Cl)c1 ZINC001637746302 1100802864 /nfs/dbraw/zinc/80/28/64/1100802864.db2.gz KSTDHRJPXZBVDP-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C([O-])C[C@@H](C[N-]S(=O)(=O)c1cc2ccccc2s1)C(F)F ZINC000899924048 1109550658 /nfs/dbraw/zinc/55/06/58/1109550658.db2.gz PTKBUXQQDFOUPU-VIFPVBQESA-N -2 3 349.380 2.536 20 0 EFADHL CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(Cl)c1Cl ZINC000184839109 1119526513 /nfs/dbraw/zinc/52/65/13/1119526513.db2.gz PJISUNHXTTZEKT-LURJTMIESA-N -2 3 326.201 2.768 20 0 EFADHL CC(C)c1cc(C(=O)[N-]NC(=O)c2cc3ccccc3cc2[O-])on1 ZINC000073067211 1120489767 /nfs/dbraw/zinc/48/97/67/1120489767.db2.gz NODWGFSFOPKJIY-UHFFFAOYSA-N -2 3 339.351 2.732 20 0 EFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000097895669 219059711 /nfs/dbraw/zinc/05/97/11/219059711.db2.gz KRMSPMUOCMUXCY-VIFPVBQESA-N -2 3 337.800 2.504 20 0 EFADHL O=S(=O)(C[C@@H]1CCCO1)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000175025317 231369478 /nfs/dbraw/zinc/36/94/78/231369478.db2.gz LSGVVETYJBVGES-INIZCTEOSA-N -2 3 347.436 2.904 20 0 EFADHL CC(C)n1c(CNC(=O)c2cc(Cl)ccc2[O-])n[n-]c1=S ZINC000066640396 215062376 /nfs/dbraw/zinc/06/23/76/215062376.db2.gz ABOZGHYIQKHCGO-UHFFFAOYSA-N -2 3 326.809 2.811 20 0 EFADHL CCn1c(=O)c2ccc(C(=O)Nc3ccccc3[O-])cc2[n-]c1=S ZINC000102518617 219209069 /nfs/dbraw/zinc/20/90/69/219209069.db2.gz ARKBHTMLOCFXSA-UHFFFAOYSA-N -2 3 341.392 2.663 20 0 EFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000037374621 213142002 /nfs/dbraw/zinc/14/20/02/213142002.db2.gz XLKVEHHBJACTDO-CPCISQLKSA-N -2 3 340.228 2.771 20 0 EFADHL O=C([O-])CCC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000036965453 213127787 /nfs/dbraw/zinc/12/77/87/213127787.db2.gz PJYBNFWVLMRYOC-UHFFFAOYSA-N -2 3 345.726 2.502 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl)C(=O)[O-] ZINC000035085712 213007836 /nfs/dbraw/zinc/00/78/36/213007836.db2.gz RGSHVHZVOPSFDQ-MRVPVSSYSA-N -2 3 345.726 2.500 20 0 EFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000037405998 213144532 /nfs/dbraw/zinc/14/45/32/213144532.db2.gz SUOABCKNFVDCAC-VIFPVBQESA-N -2 3 340.228 2.771 20 0 EFADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-]CCCC(F)(F)F)c1 ZINC000130297803 223140933 /nfs/dbraw/zinc/14/09/33/223140933.db2.gz GLOSVYFJACFWTB-UHFFFAOYSA-N -2 3 345.726 2.659 20 0 EFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000253262505 243874138 /nfs/dbraw/zinc/87/41/38/243874138.db2.gz IMYXMRNAYGIMKE-KYZUINATSA-N -2 3 337.850 2.571 20 0 EFADHL COc1ccc(OC)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1 ZINC000443440447 250194450 /nfs/dbraw/zinc/19/44/50/250194450.db2.gz IYFKQFMZJZWJHF-YWEYNIOJSA-N -2 3 344.367 2.695 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)ccc1C(=O)[O-] ZINC000349947995 142382184 /nfs/dbraw/zinc/38/21/84/142382184.db2.gz ZHGIIMCIZHAGFS-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C(=O)[O-])c1 ZINC000350037302 142393067 /nfs/dbraw/zinc/39/30/67/142393067.db2.gz SGSRICIKSXRDRQ-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc2[nH]ccc2c1 ZINC000341378644 145042087 /nfs/dbraw/zinc/04/20/87/145042087.db2.gz AOHFBQBRYFVOHZ-UHFFFAOYSA-N -2 3 330.365 2.975 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c(C)c1 ZINC000342752205 145184658 /nfs/dbraw/zinc/18/46/58/145184658.db2.gz FBPVAHZETSAMMU-UHFFFAOYSA-N -2 3 337.397 2.909 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC000342777555 145189626 /nfs/dbraw/zinc/18/96/26/145189626.db2.gz INMPEIUTUCZDTA-UHFFFAOYSA-N -2 3 349.408 2.990 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(OCCF)c2)c1 ZINC000342776107 145189747 /nfs/dbraw/zinc/18/97/47/145189747.db2.gz GPKLKZGZKWKYFW-UHFFFAOYSA-N -2 3 341.360 2.550 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2OC(C)C)c1 ZINC000342784893 145192144 /nfs/dbraw/zinc/19/21/44/145192144.db2.gz WUROKHQQFNMJNP-UHFFFAOYSA-N -2 3 337.397 2.989 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(C)c(OC)c2C)c1 ZINC000342786492 145193224 /nfs/dbraw/zinc/19/32/24/145193224.db2.gz ZWMZNTZSCKVBFW-UHFFFAOYSA-N -2 3 337.397 2.827 20 0 EFADHL O=C([O-])CCc1cccc(NC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000344042737 145354215 /nfs/dbraw/zinc/35/42/15/145354215.db2.gz IONPDKKLNRRERC-UHFFFAOYSA-N -2 3 325.324 2.939 20 0 EFADHL O=C([O-])CCc1cccc(NC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000344042737 145354217 /nfs/dbraw/zinc/35/42/17/145354217.db2.gz IONPDKKLNRRERC-UHFFFAOYSA-N -2 3 325.324 2.939 20 0 EFADHL Cc1nc(C=Cc2ccc(C(=O)[O-])cc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000349106414 146053646 /nfs/dbraw/zinc/05/36/46/146053646.db2.gz ILVCNYMFMCFUPN-PLNGDYQASA-N -3 3 348.742 2.640 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C[C@@H](C)C(=O)[O-])cc2)cc1 ZINC000350730938 146084940 /nfs/dbraw/zinc/08/49/40/146084940.db2.gz WOTVBIGJGWPMAB-GFCCVEGCSA-N -2 3 349.408 2.759 20 0 EFADHL Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])c(C)c3)ccc12 ZINC000350893404 146098972 /nfs/dbraw/zinc/09/89/72/146098972.db2.gz HASYHJZAMDIKRP-UHFFFAOYSA-N -2 3 345.380 2.679 20 0 EFADHL O=S(=O)(CCC1CC1)[N-]c1n[n-]c(SCc2ccccc2)n1 ZINC000352918167 146348224 /nfs/dbraw/zinc/34/82/24/146348224.db2.gz VTQBEJWCMPREMN-UHFFFAOYSA-N -2 3 338.458 2.639 20 0 EFADHL O=C(Nc1ccc([O-])cc1F)c1nc[n-]c1C(=O)c1ccccc1 ZINC000355929218 147101303 /nfs/dbraw/zinc/10/13/03/147101303.db2.gz QBJKMHAJSOTKPF-UHFFFAOYSA-N -2 3 325.299 2.738 20 0 EFADHL O=C(Nc1ccc([O-])cc1F)c1[n-]cnc1C(=O)c1ccccc1 ZINC000355929218 147101305 /nfs/dbraw/zinc/10/13/05/147101305.db2.gz QBJKMHAJSOTKPF-UHFFFAOYSA-N -2 3 325.299 2.738 20 0 EFADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)c1 ZINC000356325589 147212542 /nfs/dbraw/zinc/21/25/42/147212542.db2.gz QLZKBJHUFBUGQP-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000360535408 148387169 /nfs/dbraw/zinc/38/71/69/148387169.db2.gz OXVOYIAOPWIPQM-LLVKDONJSA-N -2 3 345.804 2.926 20 0 EFADHL Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)s1 ZINC000123704349 222318910 /nfs/dbraw/zinc/31/89/10/222318910.db2.gz LNMKAOKWQIJVLW-MRVPVSSYSA-N -2 3 346.455 2.559 20 0 EFADHL C[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000273669330 273117543 /nfs/dbraw/zinc/11/75/43/273117543.db2.gz JFQSSLQLXVIOTM-RDDDGLTNSA-N -2 3 335.784 2.644 20 0 EFADHL CCOc1cc(C(=O)Nc2nnc(SC)[n-]2)cc(Cl)c1[O-] ZINC000273969547 273121424 /nfs/dbraw/zinc/12/14/24/273121424.db2.gz QZPKPOPVSBZFEN-UHFFFAOYSA-N -2 3 328.781 2.537 20 0 EFADHL CCOc1cc(C(=O)Nc2nc(SC)n[n-]2)cc(Cl)c1[O-] ZINC000273969547 273121425 /nfs/dbraw/zinc/12/14/25/273121425.db2.gz QZPKPOPVSBZFEN-UHFFFAOYSA-N -2 3 328.781 2.537 20 0 EFADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc([O-])c1F ZINC000129120191 293124848 /nfs/dbraw/zinc/12/48/48/293124848.db2.gz IDSYBWOOYUJIIO-UHFFFAOYSA-N -2 3 338.360 2.545 20 0 EFADHL COc1cc(/C=C/C(=O)[O-])ccc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295226997 295284931 /nfs/dbraw/zinc/28/49/31/295284931.db2.gz SBUCMJWNKBOIIV-CSKARUKUSA-N -2 3 337.397 2.993 20 0 EFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000297278107 310875170 /nfs/dbraw/zinc/87/51/70/310875170.db2.gz TWYKMUHLJWSBTQ-VIFPVBQESA-N -2 3 340.228 2.915 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c1F ZINC000313214595 311231544 /nfs/dbraw/zinc/23/15/44/311231544.db2.gz DTQTXJFSTAYCGS-RYUDHWBXSA-N -2 3 331.409 2.692 20 0 EFADHL C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2ccc(F)cc2Cl)(C(=O)[O-])C1 ZINC000315287840 311234096 /nfs/dbraw/zinc/23/40/96/311234096.db2.gz HAACIBIRTOTHJN-XPTSAGLGSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@H](CCC[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000316308759 311235071 /nfs/dbraw/zinc/23/50/71/311235071.db2.gz MVFYDFHJHFEKNQ-ZJUUUORDSA-N -2 3 335.372 2.523 20 0 EFADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000316308757 311235099 /nfs/dbraw/zinc/23/50/99/311235099.db2.gz MVFYDFHJHFEKNQ-UWVGGRQHSA-N -2 3 335.372 2.523 20 0 EFADHL COc1ccc([O-])c(C(=O)N[C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000324169943 311241085 /nfs/dbraw/zinc/24/10/85/311241085.db2.gz FREHDEGVNLTOGN-HNNXBMFYSA-N -2 3 329.352 2.737 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc3cnccc32)c1F ZINC000326813996 311244533 /nfs/dbraw/zinc/24/45/33/311244533.db2.gz WDKWKZZXQCENBB-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000400393171 311968674 /nfs/dbraw/zinc/96/86/74/311968674.db2.gz NHGKCOAFYGHWMF-SFYZADRCSA-N -2 3 325.839 2.569 20 0 EFADHL CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2)c1 ZINC000486908898 313345867 /nfs/dbraw/zinc/34/58/67/313345867.db2.gz LHIMAJKIWXWOPO-UHFFFAOYSA-N -2 3 343.412 2.791 20 0 EFADHL CC(C)c1cccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2)c1 ZINC000486908898 313345870 /nfs/dbraw/zinc/34/58/70/313345870.db2.gz LHIMAJKIWXWOPO-UHFFFAOYSA-N -2 3 343.412 2.791 20 0 EFADHL Cc1ccc(C(=O)N2CC[C@](C(=O)[O-])(c3ccccc3)C2)c([O-])c1 ZINC000518195686 315800669 /nfs/dbraw/zinc/80/06/69/315800669.db2.gz ZQQKZZPKBCBWNV-LJQANCHMSA-N -2 3 325.364 2.569 20 0 EFADHL CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000530154545 317063743 /nfs/dbraw/zinc/06/37/43/317063743.db2.gz VXOAAEZQODUXMD-AWEZNQCLSA-N -2 3 337.397 2.668 20 0 EFADHL CC[C@@H](CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000530153506 317063949 /nfs/dbraw/zinc/06/39/49/317063949.db2.gz QICHVKZFUMSOMG-ZDUSSCGKSA-N -2 3 337.397 2.668 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](CC2CCC2)C(=O)[O-])sc1Cl ZINC000530473267 317133241 /nfs/dbraw/zinc/13/32/41/317133241.db2.gz DRNGUKIBLUHXDT-SECBINFHSA-N -2 3 337.850 2.632 20 0 EFADHL COc1cccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2[O-])c1 ZINC000536421104 317632820 /nfs/dbraw/zinc/63/28/20/317632820.db2.gz QGOQSXCRARGIPW-HNNXBMFYSA-N -2 3 329.352 2.655 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2scnc2C2CC2)c1 ZINC000540498705 317745568 /nfs/dbraw/zinc/74/55/68/317745568.db2.gz KVGUQWOSSMBAAF-UHFFFAOYSA-N -2 3 326.399 2.536 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3cc[nH]c32)ccc1[O-] ZINC000547499341 318013308 /nfs/dbraw/zinc/01/33/08/318013308.db2.gz XIXGOPLJTKBCBB-UHFFFAOYSA-N -2 3 345.380 2.633 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@@]1(CC(=O)[O-])CC[C@H](C)C1 ZINC000547561501 318019145 /nfs/dbraw/zinc/01/91/45/318019145.db2.gz SLKCFNDUQZFIBP-ZBEGNZNMSA-N -2 3 343.420 2.694 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(F)cccc1Cl)c1cccs1 ZINC000547869531 318050551 /nfs/dbraw/zinc/05/05/51/318050551.db2.gz LOBCSWPHLWGTOP-JTQLQIEISA-N -2 3 349.792 2.645 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCCCC(=O)[O-])c(F)cc1F ZINC000547886806 318051294 /nfs/dbraw/zinc/05/12/94/318051294.db2.gz IEIPYMOZZCMQJS-JTQLQIEISA-N -2 3 335.372 2.585 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-] ZINC000547934696 318053298 /nfs/dbraw/zinc/05/32/98/318053298.db2.gz VBTYJHFUBCOVFU-RYUDHWBXSA-N -2 3 331.409 2.692 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)c1ccsc1 ZINC000547931487 318053302 /nfs/dbraw/zinc/05/33/02/318053302.db2.gz BACMSOPOJRRWAN-LLVKDONJSA-N -2 3 349.792 2.645 20 0 EFADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000547936481 318053768 /nfs/dbraw/zinc/05/37/68/318053768.db2.gz KZMJGPFCHYHYEJ-GXFFZTMASA-N -2 3 331.409 2.692 20 0 EFADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000547940275 318054258 /nfs/dbraw/zinc/05/42/58/318054258.db2.gz VJVVFUROWVWULB-TVQRCGJNSA-N -2 3 335.372 2.523 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1F ZINC000548193644 318083283 /nfs/dbraw/zinc/08/32/83/318083283.db2.gz BBSQONBFORWTBT-LLVKDONJSA-N -2 3 349.792 2.645 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)c(F)cc1F ZINC000548208860 318084230 /nfs/dbraw/zinc/08/42/30/318084230.db2.gz DSQGGRXTQBYBKF-JTQLQIEISA-N -2 3 349.399 2.689 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C1CC1 ZINC000548229922 318085423 /nfs/dbraw/zinc/08/54/23/318085423.db2.gz GWBKEDDURFOURA-LBPRGKRZSA-N -2 3 345.829 2.696 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])c(F)cc1F ZINC000548227431 318085430 /nfs/dbraw/zinc/08/54/30/318085430.db2.gz PLGMHEZGWCDZAP-DZGCQCFKSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@]2(C)C(=O)[O-])c(F)cc1F ZINC000548227433 318085492 /nfs/dbraw/zinc/08/54/92/318085492.db2.gz PLGMHEZGWCDZAP-UKRRQHHQSA-N -2 3 347.383 2.585 20 0 EFADHL O=C([O-])[C@@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000548260930 318087009 /nfs/dbraw/zinc/08/70/09/318087009.db2.gz XEWOMBQVABSACZ-RISCZKNCSA-N -2 3 347.383 2.667 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC[C@@H](C)CC(=O)[O-] ZINC000548268980 318087800 /nfs/dbraw/zinc/08/78/00/318087800.db2.gz YSADMCIXFYGEER-SECBINFHSA-N -2 3 343.376 2.660 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000548529359 318117852 /nfs/dbraw/zinc/11/78/52/318117852.db2.gz GJFUFTOUZOSILK-LLVKDONJSA-N -2 3 331.409 2.549 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)cc1F ZINC000548529490 318118057 /nfs/dbraw/zinc/11/80/57/318118057.db2.gz RSQMEHTXGXJTST-JTQLQIEISA-N -2 3 349.399 2.689 20 0 EFADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000548591999 318121261 /nfs/dbraw/zinc/12/12/61/318121261.db2.gz MTRUPLFCHTZZBQ-MFKMUULPSA-N -2 3 331.409 2.692 20 0 EFADHL O=C([O-])[C@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000548596211 318121669 /nfs/dbraw/zinc/12/16/69/318121669.db2.gz GXFBXTDNVPHANR-WCQYABFASA-N -2 3 347.383 2.667 20 0 EFADHL CCc1ncc(S(=O)(=O)[N-][C@](C)(CCC(C)(C)C)C(=O)[O-])s1 ZINC000551233284 318203613 /nfs/dbraw/zinc/20/36/13/318203613.db2.gz NYESUXRKJKZSFZ-CQSZACIVSA-N -2 3 348.490 2.653 20 0 EFADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2ccc(F)cc2Cl)(C(=O)[O-])C1 ZINC000552000809 318235003 /nfs/dbraw/zinc/23/50/03/318235003.db2.gz WQFJEFVPLUFNKG-CQSZACIVSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@H](C)C2)c(F)cc1F ZINC000554538578 318321688 /nfs/dbraw/zinc/32/16/88/318321688.db2.gz RBHDAIDQCPMIBM-VFZGTOFNSA-N -2 3 347.383 2.585 20 0 EFADHL CCC(=O)c1ccc([O-])c(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)c1 ZINC000563393120 318779600 /nfs/dbraw/zinc/77/96/00/318779600.db2.gz AQHWYZBOEZRDOR-UHFFFAOYSA-N -2 3 327.340 2.610 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCCCC2)c1 ZINC000564327140 318854857 /nfs/dbraw/zinc/85/48/57/318854857.db2.gz WYTVMLFXGGREPG-LBPRGKRZSA-N -2 3 331.459 2.758 20 0 EFADHL CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)C1 ZINC000564920590 318911350 /nfs/dbraw/zinc/91/13/50/318911350.db2.gz NUGUDGQVWSQDJY-VHSXEESVSA-N -2 3 347.458 2.702 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)[C@H]1C ZINC000566179729 319044660 /nfs/dbraw/zinc/04/46/60/319044660.db2.gz NNGXBEMZELJIJC-IVZWLZJFSA-N -2 3 347.458 2.558 20 0 EFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-][C@H](C)CCC(C)C ZINC000566854046 319116757 /nfs/dbraw/zinc/11/67/57/319116757.db2.gz ZSBZDHHMEMPFPW-SNVBAGLBSA-N -2 3 347.408 2.636 20 0 EFADHL C[C@H]1CC[C@H](C(=O)[O-])CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000569241481 319362778 /nfs/dbraw/zinc/36/27/78/319362778.db2.gz VQVKEGGLOGGGGX-QWRGUYRKSA-N -2 3 341.367 2.767 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CC[C@H](Cc3ccccc3)C2)o1 ZINC000569807413 319416451 /nfs/dbraw/zinc/41/64/51/319416451.db2.gz GAMMEEPNTWQZQK-KGLIPLIRSA-N -2 3 349.408 2.668 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC000572637994 319690315 /nfs/dbraw/zinc/69/03/15/319690315.db2.gz IPUVBJGKKYHWSJ-CQSZACIVSA-N -2 3 339.438 2.778 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CCC2)c1 ZINC000573087325 319732414 /nfs/dbraw/zinc/73/24/14/319732414.db2.gz BUZVGDDJBWRQNR-HNNXBMFYSA-N -2 3 335.381 2.798 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)cc1C(=O)[O-] ZINC000573961141 319816269 /nfs/dbraw/zinc/81/62/69/319816269.db2.gz NKQUTLYNHKZJGC-QWHCGFSZSA-N -2 3 327.402 2.533 20 0 EFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccc(OCC(F)F)cc1 ZINC000181738318 323247519 /nfs/dbraw/zinc/24/75/19/323247519.db2.gz PBTPUWLTSJWFTR-UHFFFAOYSA-N -2 3 347.314 2.976 20 0 EFADHL CCC1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2OC)CC1 ZINC000389156415 323771514 /nfs/dbraw/zinc/77/15/14/323771514.db2.gz SKJFOWPBPQOIEQ-UHFFFAOYSA-N -2 3 347.820 2.515 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C1CCC1 ZINC000399227249 323796003 /nfs/dbraw/zinc/79/60/03/323796003.db2.gz YAEPABPMADXHRB-LLVKDONJSA-N -2 3 338.212 2.525 20 0 EFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000399432522 323796266 /nfs/dbraw/zinc/79/62/66/323796266.db2.gz INXOCMJQRVZYON-GZMMTYOYSA-N -2 3 337.800 2.503 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C1CCC1 ZINC000580688284 324211794 /nfs/dbraw/zinc/21/17/94/324211794.db2.gz ZKUPUCWAAHVTCC-NSHDSACASA-N -2 3 338.212 2.525 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000580950349 324273840 /nfs/dbraw/zinc/27/38/40/324273840.db2.gz KXZBRGPLTQREAG-WDEREUQCSA-N -2 3 337.397 2.757 20 0 EFADHL Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000058406523 472564720 /nfs/dbraw/zinc/56/47/20/472564720.db2.gz KQWBUNGHOINXJQ-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL Cc1cc(C)cc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000185058181 473314264 /nfs/dbraw/zinc/31/42/64/473314264.db2.gz OAQSKZCZNTUQPD-UHFFFAOYSA-N -2 3 339.438 2.584 20 0 EFADHL COc1ccc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])c([O-])c1 ZINC000621999382 479875172 /nfs/dbraw/zinc/87/51/72/479875172.db2.gz NMISTLWSKQUJRJ-ZDUSSCGKSA-N -2 3 343.379 2.764 20 0 EFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000312236167 474846711 /nfs/dbraw/zinc/84/67/11/474846711.db2.gz ISTVHDTZEXMKCO-NSHDSACASA-N -2 3 338.212 2.525 20 0 EFADHL CC(C)[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1 ZINC000388851037 476779948 /nfs/dbraw/zinc/77/99/48/476779948.db2.gz VLXRCWKWJWDTNF-NSHDSACASA-N -2 3 340.426 2.517 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2ccccc2Cl)c1 ZINC000013306422 471824421 /nfs/dbraw/zinc/82/44/21/471824421.db2.gz MWHXCDURYWBDBL-UHFFFAOYSA-N -2 3 331.802 2.578 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000013349473 471827235 /nfs/dbraw/zinc/82/72/35/471827235.db2.gz FBRKFCUMDLNGQK-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCCC1 ZINC000037376003 472011776 /nfs/dbraw/zinc/01/17/76/472011776.db2.gz QIYWPIKQIFBPIJ-UHFFFAOYSA-N -2 3 338.212 2.669 20 0 EFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-][C@@H](C)CC(=O)[O-])c1Cl ZINC000036967148 472008459 /nfs/dbraw/zinc/00/84/59/472008459.db2.gz OQTWGNXZFNOGSZ-ZETCQYMHSA-N -2 3 340.228 2.752 20 0 EFADHL CCC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000042794176 472169906 /nfs/dbraw/zinc/16/99/06/472169906.db2.gz JJXPRRVNHYDRSX-UHFFFAOYSA-N -2 3 348.380 2.534 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c(C)c1 ZINC000055579620 472208590 /nfs/dbraw/zinc/20/85/90/472208590.db2.gz MOEDWBKCTXBWPE-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2Cl)cc1 ZINC000076195292 472295150 /nfs/dbraw/zinc/29/51/50/472295150.db2.gz OKBKRXOWIPDOBX-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000087491895 472340781 /nfs/dbraw/zinc/34/07/81/472340781.db2.gz JICXNRZWIWEQEK-MRVPVSSYSA-N -2 3 340.228 2.629 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)cc1F ZINC000031665952 472387803 /nfs/dbraw/zinc/38/78/03/472387803.db2.gz VSGBCBURTWPNAI-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C#N)cc1C ZINC000076935716 472427266 /nfs/dbraw/zinc/42/72/66/472427266.db2.gz SZSHPEMANXXVQA-UHFFFAOYSA-N -2 3 330.365 2.674 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1F ZINC000032589622 472444710 /nfs/dbraw/zinc/44/47/10/472444710.db2.gz GPPFCQGLMPTTAT-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000070311925 472497545 /nfs/dbraw/zinc/49/75/45/472497545.db2.gz ASVCSTRMZUOHER-SSDOTTSWSA-N -2 3 326.201 2.525 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccs1 ZINC000129767752 472563791 /nfs/dbraw/zinc/56/37/91/472563791.db2.gz GDLGZKFBPQPHRM-NSHDSACASA-N -2 3 349.792 2.645 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)c1cccs1 ZINC000129767996 472564157 /nfs/dbraw/zinc/56/41/57/472564157.db2.gz GDLGZKFBPQPHRM-LLVKDONJSA-N -2 3 349.792 2.645 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)c1 ZINC000061363351 472699502 /nfs/dbraw/zinc/69/95/02/472699502.db2.gz KXPOTAJVUNJXDU-SNVBAGLBSA-N -2 3 343.451 2.864 20 0 EFADHL COc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000047454267 472715983 /nfs/dbraw/zinc/71/59/83/472715983.db2.gz WIAXQAYBMGTLMN-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL Cc1ccc(NC(=O)CCc2c(C)nc3cc(=O)[n-]n3c2C)c([O-])c1 ZINC000064354308 472846624 /nfs/dbraw/zinc/84/66/24/472846624.db2.gz GDVKSJAZEVVKDY-UHFFFAOYSA-N -2 3 340.383 2.637 20 0 EFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000136253314 473146950 /nfs/dbraw/zinc/14/69/50/473146950.db2.gz YIRDWMZMHOLLQT-NSHDSACASA-N -2 3 340.228 2.771 20 0 EFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000136254855 473147224 /nfs/dbraw/zinc/14/72/24/473147224.db2.gz PZBCCIJHVWMFAR-NSHDSACASA-N -2 3 340.228 2.771 20 0 EFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000136736733 473175241 /nfs/dbraw/zinc/17/52/41/473175241.db2.gz KWZTWXAWNOVRTE-LLVKDONJSA-N -2 3 337.800 2.647 20 0 EFADHL Cc1c([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cccc1C(=O)[O-] ZINC000095381553 473193525 /nfs/dbraw/zinc/19/35/25/473193525.db2.gz IEXPEUSYTJULBG-JTQLQIEISA-N -2 3 347.392 2.817 20 0 EFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000123869078 473193659 /nfs/dbraw/zinc/19/36/59/473193659.db2.gz AWKQLEIMYWBENE-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000262640278 473704995 /nfs/dbraw/zinc/70/49/95/473704995.db2.gz HHOYWJPUDSUBBG-SECBINFHSA-N -2 3 340.228 2.833 20 0 EFADHL CC(C)C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000262702104 473712785 /nfs/dbraw/zinc/71/27/85/473712785.db2.gz ZHZLOIAKAXCJCP-ZETCQYMHSA-N -2 3 345.364 2.545 20 0 EFADHL CC(C)N(CC(=O)[O-])C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000263440174 473755939 /nfs/dbraw/zinc/75/59/39/473755939.db2.gz POJXNIDPJMDBJK-UHFFFAOYSA-N -2 3 343.379 2.906 20 0 EFADHL O=C([O-])[C@H]1CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000263561504 473777450 /nfs/dbraw/zinc/77/74/50/473777450.db2.gz CECQSBTZXNCYHD-HNNXBMFYSA-N -2 3 325.364 2.530 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2cc(Cl)c([O-])cc2F)c(=O)[n-]1 ZINC000288122557 473853829 /nfs/dbraw/zinc/85/38/29/473853829.db2.gz JJRTXDKEZFNLBH-UHFFFAOYSA-N -2 3 339.754 2.868 20 0 EFADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1[O-] ZINC000194417049 473895588 /nfs/dbraw/zinc/89/55/88/473895588.db2.gz VCZSHWUNSSHRGN-JTQLQIEISA-N -2 3 338.713 2.687 20 0 EFADHL CC(C)Sc1nc([N-]S(=O)(=O)Cc2c(F)cccc2F)n[n-]1 ZINC000194593696 473922667 /nfs/dbraw/zinc/92/26/67/473922667.db2.gz ILFVEZZCTDGTEG-UHFFFAOYSA-N -2 3 348.400 2.525 20 0 EFADHL C[C@@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC(=O)[O-] ZINC000274984111 474030444 /nfs/dbraw/zinc/03/04/44/474030444.db2.gz JZUVOSCXWVBHBY-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000174670767 474077224 /nfs/dbraw/zinc/07/72/24/474077224.db2.gz ATALLGDAIBCKPK-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC(C)(C)C(=O)[O-])c1Cl ZINC000275257836 474121672 /nfs/dbraw/zinc/12/16/72/474121672.db2.gz LXIYYEGYCPKMCS-UHFFFAOYSA-N -2 3 340.228 2.691 20 0 EFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000275260686 474122848 /nfs/dbraw/zinc/12/28/48/474122848.db2.gz OVKDGCLPNWCQDT-MRVPVSSYSA-N -2 3 337.800 2.647 20 0 EFADHL Cc1ccc([O-])c(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c1 ZINC000216415398 474140921 /nfs/dbraw/zinc/14/09/21/474140921.db2.gz VTKPCQNCUJIVNI-CVEARBPZSA-N -2 3 325.364 2.641 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)sc1Cl ZINC000231807833 474264042 /nfs/dbraw/zinc/26/40/42/474264042.db2.gz LWFXKXNMPQNZGQ-MRVPVSSYSA-N -2 3 339.866 2.878 20 0 EFADHL CO[C@H](C)c1nc(=NC(=O)c2cc([O-])ccc2C(F)(F)F)s[n-]1 ZINC000338917208 474731869 /nfs/dbraw/zinc/73/18/69/474731869.db2.gz WCICMCNXOXWLBJ-ZCFIWIBFSA-N -2 3 347.318 2.644 20 0 EFADHL COC(=O)C1(CS(=O)(=O)[N-]c2cc(C)ccc2[O-])CCCCC1 ZINC000292000488 474794379 /nfs/dbraw/zinc/79/43/79/474794379.db2.gz XMDUJDYRYTZEPW-UHFFFAOYSA-N -2 3 341.429 2.566 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000312812729 474852028 /nfs/dbraw/zinc/85/20/28/474852028.db2.gz RZJVXLHQUPCUIZ-UHFFFAOYSA-N -2 3 340.228 2.773 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000312857616 474852920 /nfs/dbraw/zinc/85/29/20/474852920.db2.gz XVLVXDZOQURKCX-UHFFFAOYSA-N -2 3 340.228 2.773 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1c(F)cccc1F ZINC000316388544 474877891 /nfs/dbraw/zinc/87/78/91/474877891.db2.gz YCBNFKABJDECKN-SSDOTTSWSA-N -2 3 347.364 2.764 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]CCCC1CC1 ZINC000317434564 474886395 /nfs/dbraw/zinc/88/63/95/474886395.db2.gz KWYLKUUQVBCFBA-UHFFFAOYSA-N -2 3 347.820 2.515 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c(C)c1O ZINC000323739899 474953187 /nfs/dbraw/zinc/95/31/87/474953187.db2.gz PLJUCFJQDDPETF-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1F ZINC000323761429 474954776 /nfs/dbraw/zinc/95/47/76/474954776.db2.gz VWWFOTHOPQOXDP-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL CCS[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)C1 ZINC000273746408 475039697 /nfs/dbraw/zinc/03/96/97/475039697.db2.gz PIBWGXIKQYMEQC-MNOVXSKESA-N -2 3 349.499 2.789 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1 ZINC000354609871 475288881 /nfs/dbraw/zinc/28/88/81/475288881.db2.gz PIYICHJBPMVXBW-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2cnc3ccccc3c2)c1 ZINC000337746139 475291262 /nfs/dbraw/zinc/29/12/62/475291262.db2.gz GJPKBZWWZKTMLG-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000355066835 475641358 /nfs/dbraw/zinc/64/13/58/475641358.db2.gz VKLKAKNMGWDKNN-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL COCCc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)cc1 ZINC000342971537 475664946 /nfs/dbraw/zinc/66/49/46/475664946.db2.gz LNYRDKVHQRMUFG-UHFFFAOYSA-N -2 3 349.408 2.683 20 0 EFADHL O=C([O-])CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000297309900 475701316 /nfs/dbraw/zinc/70/13/16/475701316.db2.gz WDDJCRKCLSZMAT-IINYFYTJSA-N -2 3 347.383 2.667 20 0 EFADHL O=C(Nc1cccc(-c2n[nH]c(=O)[n-]2)c1)c1cc([O-])ccc1Cl ZINC000353362437 475902040 /nfs/dbraw/zinc/90/20/40/475902040.db2.gz FPDSDKAFYGRVQQ-UHFFFAOYSA-N -2 3 330.731 2.789 20 0 EFADHL COc1c(C)cc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1C ZINC000361980777 475911861 /nfs/dbraw/zinc/91/18/61/475911861.db2.gz LUOYDYMGYAOHHQ-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(C)c1 ZINC000361983676 475916275 /nfs/dbraw/zinc/91/62/75/475916275.db2.gz JIAVVJKDRKUMDM-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000340455120 476045293 /nfs/dbraw/zinc/04/52/93/476045293.db2.gz TZMIZTIATSYNFH-GFCCVEGCSA-N -2 3 347.845 2.942 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000336864044 476146061 /nfs/dbraw/zinc/14/60/61/476146061.db2.gz MBKNEMMRRPIZMK-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000336867655 476149540 /nfs/dbraw/zinc/14/95/40/476149540.db2.gz OBRXFAYYICYFOX-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c1F ZINC000336875782 476159403 /nfs/dbraw/zinc/15/94/03/476159403.db2.gz LPYIUMBYJQBPQQ-UHFFFAOYSA-N -2 3 337.372 2.952 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3ncccc3c2)cc1 ZINC000353671448 476176601 /nfs/dbraw/zinc/17/66/01/476176601.db2.gz BEEJJLVYNHOLAK-UHFFFAOYSA-N -2 3 328.349 2.734 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1 ZINC000357072930 476206107 /nfs/dbraw/zinc/20/61/07/476206107.db2.gz DCYGIOKTWMYZJO-UHFFFAOYSA-N -2 3 333.365 2.511 20 0 EFADHL CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1ccc2n[n-]nc2c1 ZINC000362519832 476294608 /nfs/dbraw/zinc/29/46/08/476294608.db2.gz NXCDDZIZGVCSII-UHFFFAOYSA-N -2 3 340.339 2.696 20 0 EFADHL CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc([O-])c(F)c3)no2)cc1 ZINC000350825968 476304632 /nfs/dbraw/zinc/30/46/32/476304632.db2.gz VTOCBVKUQVPIAM-UHFFFAOYSA-N -2 3 349.343 2.620 20 0 EFADHL Cc1ccc(-c2cc(C(=O)Nc3ccc(OCC(=O)[O-])cc3)n[n-]2)o1 ZINC000354171328 476477636 /nfs/dbraw/zinc/47/76/36/476477636.db2.gz HMYUDCKTLCTFKI-UHFFFAOYSA-N -2 3 341.323 2.694 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)cc1C(=O)[O-] ZINC000357717066 476555583 /nfs/dbraw/zinc/55/55/83/476555583.db2.gz UJGIJLLMEPIHET-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1 ZINC000357877818 476666487 /nfs/dbraw/zinc/66/64/87/476666487.db2.gz AZTKHIZGGDJMPY-UHFFFAOYSA-N -2 3 349.408 2.902 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@@H](C)C1CCC1 ZINC000387826142 476775119 /nfs/dbraw/zinc/77/51/19/476775119.db2.gz XQFJLLGMYBSTSD-QMMMGPOBSA-N -2 3 347.820 2.514 20 0 EFADHL O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1cnc2ccccc2c1[O-] ZINC000448537024 477185751 /nfs/dbraw/zinc/18/57/51/477185751.db2.gz FSWXFBLTHQTORP-UHFFFAOYSA-N -2 3 349.321 2.996 20 0 EFADHL O=C(N=c1cc(-c2cccc(F)c2)o[n-]1)c1c[n-]c2ccccc2c1=O ZINC000448537024 477185755 /nfs/dbraw/zinc/18/57/55/477185755.db2.gz FSWXFBLTHQTORP-UHFFFAOYSA-N -2 3 349.321 2.996 20 0 EFADHL COc1ccc(C(=O)N=c2cc(-c3cccc(F)c3)o[n-]2)c([O-])c1 ZINC000448543541 477186856 /nfs/dbraw/zinc/18/68/56/477186856.db2.gz PEBROVUWBCAYSO-UHFFFAOYSA-N -2 3 328.299 2.869 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-])c(Cl)cc1F ZINC000424395274 477389020 /nfs/dbraw/zinc/38/90/20/477389020.db2.gz VHOMZLBPFXQZAK-UHFFFAOYSA-N -2 3 337.800 2.567 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000436665835 477551559 /nfs/dbraw/zinc/55/15/59/477551559.db2.gz PWNHYIPIIJFDRN-UHFFFAOYSA-N -2 3 335.381 2.596 20 0 EFADHL O=C(c1cc2ccccc2cc1[O-])N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000436793519 477590623 /nfs/dbraw/zinc/59/06/23/477590623.db2.gz SAJHUFJUAIXLKF-ZDUSSCGKSA-N -2 3 339.351 2.654 20 0 EFADHL CC(C)c1ccc(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)c([O-])c1 ZINC000436821830 477601432 /nfs/dbraw/zinc/60/14/32/477601432.db2.gz QJVFHPDYGNBDNL-UHFFFAOYSA-N -2 3 325.315 2.525 20 0 EFADHL O=C([O-])c1cc(C=C(Cc2ccccc2)c2nccc(=O)[n-]2)ccc1O ZINC000436833673 477606466 /nfs/dbraw/zinc/60/64/66/477606466.db2.gz WTSNFVCYSCQLJX-PTNGSMBKSA-N -2 3 348.358 2.957 20 0 EFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000436892509 477627087 /nfs/dbraw/zinc/62/70/87/477627087.db2.gz KCGYUJUMGWHGRA-UHFFFAOYSA-N -3 3 327.745 2.545 20 0 EFADHL Cc1cccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1[O-] ZINC000436930420 477639593 /nfs/dbraw/zinc/63/95/93/477639593.db2.gz HQOCYGSRLWSPIG-OAHLLOKOSA-N -2 3 327.380 2.907 20 0 EFADHL O=C(Nc1cccc(F)c1-c1nc[n-]n1)c1cc(=O)c2ccccc2[n-]1 ZINC000428214411 477841400 /nfs/dbraw/zinc/84/14/00/477841400.db2.gz YXSSYJWVWNWGTN-UHFFFAOYSA-N -2 3 349.325 2.705 20 0 EFADHL O=C(Nc1cc(Br)ccc1[O-])C(=O)c1ccc([O-])cc1 ZINC000438912129 477904831 /nfs/dbraw/zinc/90/48/31/477904831.db2.gz NSUMECJPIPEYDI-UHFFFAOYSA-N -2 3 336.141 2.682 20 0 EFADHL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000560077142 478017159 /nfs/dbraw/zinc/01/71/59/478017159.db2.gz GMDXDWYJFFSFHQ-OAHLLOKOSA-N -2 3 349.399 2.913 20 0 EFADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000560492752 478095627 /nfs/dbraw/zinc/09/56/27/478095627.db2.gz BSSDNHSGNPWWQZ-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL CCC[C@H](CC)S(=O)(=O)[N-]c1ccc(C(=O)OCC)cc1[O-] ZINC000562440889 478249334 /nfs/dbraw/zinc/24/93/34/478249334.db2.gz XKFDMYXMIGYUBZ-LBPRGKRZSA-N -2 3 329.418 2.889 20 0 EFADHL CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000520575516 478325776 /nfs/dbraw/zinc/32/57/76/478325776.db2.gz QTUCPKHVSXNMOW-ZDUSSCGKSA-N -2 3 337.397 2.668 20 0 EFADHL CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000570512029 478376107 /nfs/dbraw/zinc/37/61/07/478376107.db2.gz FIPLUDZEVUZRTN-ZJUUUORDSA-N -2 3 347.458 2.702 20 0 EFADHL CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000570512027 478376309 /nfs/dbraw/zinc/37/63/09/478376309.db2.gz FIPLUDZEVUZRTN-UWVGGRQHSA-N -2 3 347.458 2.702 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C[C@@H]2CCCc3ccccc32)cc1C(=O)[O-] ZINC000581820592 478443993 /nfs/dbraw/zinc/44/39/93/478443993.db2.gz NDDPCZSYXOYERZ-ZDUSSCGKSA-N -2 3 349.408 2.685 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2Cc2ccccc2)o1 ZINC000583201812 478789216 /nfs/dbraw/zinc/78/92/16/478789216.db2.gz NUHLOSBUFAWIQF-ZIAGYGMSSA-N -2 3 349.408 2.668 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCC[C@@H]2Cc2ccccc2)c1 ZINC000583319962 478821313 /nfs/dbraw/zinc/82/13/13/478821313.db2.gz RYJYTZDSJGUAMZ-HIFRSBDPSA-N -2 3 349.408 2.668 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2(c3ccccc3)CCCC2)c1 ZINC000564920850 478860514 /nfs/dbraw/zinc/86/05/14/478860514.db2.gz LUVLLCHDHQGXNN-UHFFFAOYSA-N -2 3 335.381 2.726 20 0 EFADHL Cc1csc(S(=O)(=O)[N-]C[C@H](C(=O)[O-])c2ccc(C)cc2)c1 ZINC000564921881 478861304 /nfs/dbraw/zinc/86/13/04/478861304.db2.gz WAWJBIPWCCOCEI-ZDUSSCGKSA-N -2 3 339.438 2.512 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1c(C)ccc(Cl)c1C(=O)[O-])C1CC1 ZINC000572762709 478914262 /nfs/dbraw/zinc/91/42/62/478914262.db2.gz BEUIPANJRGVIGN-NSHDSACASA-N -2 3 347.820 2.513 20 0 EFADHL CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC000596088992 479132527 /nfs/dbraw/zinc/13/25/27/479132527.db2.gz QLAUDHDUYOUAHV-WDEREUQCSA-N -2 3 347.458 2.629 20 0 EFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000573778323 479139612 /nfs/dbraw/zinc/13/96/12/479139612.db2.gz MFPLZJHRPACLOA-NSHDSACASA-N -2 3 343.376 2.802 20 0 EFADHL CCS[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)C1 ZINC000584467300 479145967 /nfs/dbraw/zinc/14/59/67/479145967.db2.gz GJIUPTRAMBFQDQ-QWRGUYRKSA-N -2 3 347.458 2.629 20 0 EFADHL COC(=O)c1cc(Cl)cc(NC(=O)c2c([O-])cccc2F)c1[O-] ZINC000588096536 479393611 /nfs/dbraw/zinc/39/36/11/479393611.db2.gz HPDVVQAPTSTZEW-UHFFFAOYSA-N -2 3 339.706 2.929 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C1CCC(C)(C)CC1 ZINC000578887678 479626976 /nfs/dbraw/zinc/62/69/76/479626976.db2.gz WPOOPWYFFAFEJI-UHFFFAOYSA-N -2 3 347.458 2.702 20 0 EFADHL CCO[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1Cl)C1CC1 ZINC000629293990 480203648 /nfs/dbraw/zinc/20/36/48/480203648.db2.gz SFASNOCSILYJCH-CYBMUJFWSA-N -2 3 347.820 2.595 20 0 EFADHL Cc1ccc(Cl)c(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000629294646 480203935 /nfs/dbraw/zinc/20/39/35/480203935.db2.gz ZSXDRYHTKLLJHV-VIFPVBQESA-N -2 3 347.820 2.656 20 0 EFADHL CCc1c(=O)n(-c2cn[n-]c(=O)c2Cl)[n-]c1-c1cccc(C)c1 ZINC000634587271 480370066 /nfs/dbraw/zinc/37/00/66/480370066.db2.gz JLDAQXJHEJRNHL-NSHDSACASA-N -2 3 330.775 2.921 20 0 EFADHL CCc1c(=O)n(-c2cn[n-]c(=O)c2Cl)[n-]c1-c1cccc(OC)c1 ZINC000634587354 480370641 /nfs/dbraw/zinc/37/06/41/480370641.db2.gz LTTNHLMXGNXTJC-NSHDSACASA-N -2 3 346.774 2.621 20 0 EFADHL O=C([O-])c1cccc(-n2[n-]c3c(c2=O)CN(Cc2ccccc2)CC3)c1 ZINC000634598491 480373737 /nfs/dbraw/zinc/37/37/37/480373737.db2.gz LTYJNKXBYSZNLT-QGZVFWFLSA-N -2 3 349.390 2.610 20 0 EFADHL C[C@@H]1CN(Cc2cccc([O-])c2Br)CC[C@H]1C(=O)[O-] ZINC000629773296 480398815 /nfs/dbraw/zinc/39/88/15/480398815.db2.gz OABPJFAXSIUJKP-MWLCHTKSSA-N -2 3 328.206 2.697 20 0 EFADHL O=C(N=c1[n-]nc(-c2ccccn2)s1)c1cc2ccsc2[n-]1 ZINC000618349296 480629921 /nfs/dbraw/zinc/62/99/21/480629921.db2.gz IVTOGSQRTRBDNT-UHFFFAOYSA-N -2 3 327.394 2.817 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000630434806 480710607 /nfs/dbraw/zinc/71/06/07/480710607.db2.gz ABOONTXHDLTYQT-OLZOCXBDSA-N -2 3 337.372 2.511 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1c([O-])cccc1Cl)C1CCCC1 ZINC000641687119 481008093 /nfs/dbraw/zinc/00/80/93/481008093.db2.gz HVMCYQBSJLWEES-ZDUSSCGKSA-N -2 3 333.837 2.993 20 0 EFADHL COc1ccc([O-])c([N-]S(=O)(=O)[C@H]2C[C@H]2c2cccc(F)c2)c1 ZINC000641686004 481008404 /nfs/dbraw/zinc/00/84/04/481008404.db2.gz QSRORRURPKKYHO-BBRMVZONSA-N -2 3 337.372 2.838 20 0 EFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@](C)(C(=O)[O-])C3CC3)sc21 ZINC000646026873 481029150 /nfs/dbraw/zinc/02/91/50/481029150.db2.gz XTZTVAFOVHBJRM-HNNXBMFYSA-N -2 3 339.438 2.741 20 0 EFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@H]3CCC[C@H]3C(=O)[O-])sc21 ZINC000646045028 481035923 /nfs/dbraw/zinc/03/59/23/481035923.db2.gz CULAAUPYZKTQFQ-NEPJUHHUSA-N -2 3 339.438 2.741 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC000647919190 481181769 /nfs/dbraw/zinc/18/17/69/481181769.db2.gz QLYGGWQNUOGYCK-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])c2cccs2)c1 ZINC000642376371 481202127 /nfs/dbraw/zinc/20/21/27/481202127.db2.gz TWRQNGSABJZELL-NSHDSACASA-N -2 3 343.401 2.690 20 0 EFADHL CC[C@@H](C(=O)[O-])N(C)C(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000653343764 481239328 /nfs/dbraw/zinc/23/93/28/481239328.db2.gz DMKXMCFBDQVPBE-INIZCTEOSA-N -2 3 343.379 2.906 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(F)c1 ZINC000653494527 481282658 /nfs/dbraw/zinc/28/26/58/481282658.db2.gz CRSKDBJJUOIMDE-GRYCIOLGSA-N -2 3 343.420 2.548 20 0 EFADHL Cc1csc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])c2ccccc2)c1 ZINC000654769906 482045199 /nfs/dbraw/zinc/04/51/99/482045199.db2.gz DMNBFETXMHDEGT-CYBMUJFWSA-N -2 3 339.438 2.593 20 0 EFADHL CCN(C(=O)c1cc(OCc2ccccc2)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC000663124533 482080041 /nfs/dbraw/zinc/08/00/41/482080041.db2.gz LARVGSNNXLSGRM-ZDUSSCGKSA-N -2 3 343.379 2.906 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)oc1C(=O)[O-] ZINC000663418192 482222019 /nfs/dbraw/zinc/22/20/19/482222019.db2.gz AYEXUAPJSKWRGD-UHFFFAOYSA-N -2 3 349.817 2.522 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCc3ccccc32)oc1C(=O)[O-] ZINC000663418637 482222735 /nfs/dbraw/zinc/22/27/35/482222735.db2.gz KGJUDEWZXSHQBT-CYBMUJFWSA-N -2 3 349.408 2.685 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)Cc2cccs2)oc1C(=O)[O-] ZINC000663422071 482224945 /nfs/dbraw/zinc/22/49/45/482224945.db2.gz AWOFHFPLZFDUMD-VIFPVBQESA-N -2 3 343.426 2.505 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)c2ccc(C)cc2)oc1C(=O)[O-] ZINC000663424330 482226056 /nfs/dbraw/zinc/22/60/56/482226056.db2.gz OJZBEJXGOGLKDI-LBPRGKRZSA-N -2 3 337.397 2.677 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)c2ccc(C)cc2)oc1C(=O)[O-] ZINC000663424328 482226441 /nfs/dbraw/zinc/22/64/41/482226441.db2.gz OJZBEJXGOGLKDI-GFCCVEGCSA-N -2 3 337.397 2.677 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2C[C@H]2C2CCCCC2)oc1C(=O)[O-] ZINC000663424010 482226528 /nfs/dbraw/zinc/22/65/28/482226528.db2.gz HJDMTFNBDPGBNV-NWDGAFQWSA-N -2 3 327.402 2.533 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCc3c(C)cccc32)oc1C(=O)[O-] ZINC000663431033 482231916 /nfs/dbraw/zinc/23/19/16/482231916.db2.gz ADIGQZMWYKSJPJ-AWEZNQCLSA-N -2 3 349.408 2.951 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1csc(C(=O)[O-])c1)CC(F)(F)F ZINC000663437818 482235672 /nfs/dbraw/zinc/23/56/72/482235672.db2.gz PHYFVDMQBSPPKW-UHFFFAOYSA-N -2 3 345.364 2.703 20 0 EFADHL Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccccc2[O-])n1 ZINC000177664638 533857922 /nfs/dbraw/zinc/85/79/22/533857922.db2.gz VHCIZLXNGRKXOR-UHFFFAOYSA-N -2 3 327.315 2.983 20 0 EFADHL CCOc1cc(CN2C[C@H](C(=O)[O-])C[C@H](C)C2)cc(Cl)c1[O-] ZINC000263074949 520702014 /nfs/dbraw/zinc/70/20/14/520702014.db2.gz QGVVCDOFXOVWHZ-CMPLNLGQSA-N -2 3 327.808 2.987 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000263096265 521167644 /nfs/dbraw/zinc/16/76/44/521167644.db2.gz FCDJXBMAWWUPMP-LBPRGKRZSA-N -2 3 325.361 2.511 20 0 EFADHL CC[C@](CNC(=O)c1cc(OC)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC000262974146 523525683 /nfs/dbraw/zinc/52/56/83/523525683.db2.gz KFWWGFHNZQGRNL-LJQANCHMSA-N -2 3 343.379 2.563 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])c2ccccc2)sc1Cl ZINC000231806450 525416690 /nfs/dbraw/zinc/41/66/90/525416690.db2.gz NUQBYLDXRFBAGG-NSHDSACASA-N -2 3 345.829 2.814 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)c(F)c1 ZINC000238198895 526381979 /nfs/dbraw/zinc/38/19/79/526381979.db2.gz AGQOFVBJKMRTCT-OAHLLOKOSA-N -2 3 349.383 2.880 20 0 EFADHL CCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000347425954 535659072 /nfs/dbraw/zinc/65/90/72/535659072.db2.gz YQLHSERXLFZLAW-SOFGYWHQSA-N -2 3 344.367 2.695 20 0 EFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000217100846 535827152 /nfs/dbraw/zinc/82/71/52/535827152.db2.gz KFIJJIAGZDABNS-GFCCVEGCSA-N -2 3 340.228 2.773 20 0 EFADHL COCCCOc1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000352277121 546048609 /nfs/dbraw/zinc/04/86/09/546048609.db2.gz YROKVPWEMXJSBT-UHFFFAOYSA-N -2 3 326.352 2.711 20 0 EFADHL CCn1cc(S(=O)(=O)[N-]c2cccc(C)c2Cl)cc1C(=O)[O-] ZINC000389096987 546161082 /nfs/dbraw/zinc/16/10/82/546161082.db2.gz IIEIINQELDJCAO-UHFFFAOYSA-N -2 3 342.804 2.969 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc(C(=O)[O-])c1 ZINC000507579932 546295752 /nfs/dbraw/zinc/29/57/52/546295752.db2.gz FBBFIBVRBYNPAO-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL C[C@@H](CC(F)(F)F)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000656509436 546825339 /nfs/dbraw/zinc/82/53/39/546825339.db2.gz SRDSHFNWYLUIHZ-ZETCQYMHSA-N -2 3 343.298 2.854 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H](C(=O)[O-])[C@H](C)c2ccccc2)c1 ZINC000656519114 546827164 /nfs/dbraw/zinc/82/71/64/546827164.db2.gz FKBDHUYCJHTUJL-RISCZKNCSA-N -2 3 339.438 2.592 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-])C1CCCC1 ZINC000656623996 546866728 /nfs/dbraw/zinc/86/67/28/546866728.db2.gz XLWFFILQFICATE-AWEZNQCLSA-N -2 3 341.429 2.640 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1cccc([O-])c1F)C1CCCCC1 ZINC000656627228 546868057 /nfs/dbraw/zinc/86/80/57/546868057.db2.gz VNDMZWHVUNQWON-CQSZACIVSA-N -2 3 331.409 2.868 20 0 EFADHL CCC(C)(C)[C@@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000656717506 546899814 /nfs/dbraw/zinc/89/98/14/546899814.db2.gz WSALDXBWRNXVCQ-MRVPVSSYSA-N -2 3 335.447 2.558 20 0 EFADHL CC(C)[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1F ZINC000656720023 546900401 /nfs/dbraw/zinc/90/04/01/546900401.db2.gz KGRDJIHXMCHYFF-AWEZNQCLSA-N -2 3 341.360 2.793 20 0 EFADHL Cc1ccc(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C ZINC000656722056 546900953 /nfs/dbraw/zinc/90/09/53/546900953.db2.gz OLTLSTNSWOIOIV-UHFFFAOYSA-N -2 3 339.438 2.584 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(NC[C@H](CC(=O)[O-])C3CC3)nc2)n1 ZINC000656785024 546923458 /nfs/dbraw/zinc/92/34/58/546923458.db2.gz VQDBFUKUFUVTOP-ZDUSSCGKSA-N -2 3 342.399 2.719 20 0 EFADHL COc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OC(F)F ZINC000670370075 547473511 /nfs/dbraw/zinc/47/35/11/547473511.db2.gz VJBAQKXAFFXPBO-HWKANZROSA-N -2 3 338.266 2.661 20 0 EFADHL CCCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000670370004 547473994 /nfs/dbraw/zinc/47/39/94/547473994.db2.gz PYLBFXGWYANMBH-FNORWQNLSA-N -2 3 330.340 2.848 20 0 EFADHL COc1cccc(S(=O)(=O)[N-]c2c(F)ccc(C)c2C(=O)[O-])c1 ZINC000677746140 548761892 /nfs/dbraw/zinc/76/18/92/548761892.db2.gz GRZLNYZSMWCDIS-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)CCCCC1 ZINC000760117617 575981482 /nfs/dbraw/zinc/98/14/82/575981482.db2.gz MLXUPFOCSGHVGI-UHFFFAOYSA-N -2 3 335.784 2.545 20 0 EFADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc(F)c(C(=O)[O-])c1 ZINC000761661954 576194634 /nfs/dbraw/zinc/19/46/34/576194634.db2.gz FWBLKFOPEPGCRJ-UHFFFAOYSA-N -2 3 347.346 2.878 20 0 EFADHL O=C([O-])Cc1nc([N-]C(=O)c2sc3ccccc3c2Cl)n[nH]1 ZINC000739899044 577391136 /nfs/dbraw/zinc/39/11/36/577391136.db2.gz ABKVCPHNCUNMLN-UHFFFAOYSA-N -2 3 336.760 2.552 20 0 EFADHL COc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1F ZINC000769888107 577391739 /nfs/dbraw/zinc/39/17/39/577391739.db2.gz AXQYXZJDSKZCLO-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C(OCc1cc(=O)oc2cc([O-])ccc12)c1ccc([O-])cc1F ZINC000773573970 581447427 /nfs/dbraw/zinc/44/74/27/581447427.db2.gz RZEWIHXTKFJYDZ-UHFFFAOYSA-N -2 3 330.267 2.700 20 0 EFADHL O=C([N-]OCc1ccc(C(F)(F)F)cc1)C(=O)c1ccc([O-])cc1 ZINC000774444214 581491688 /nfs/dbraw/zinc/49/16/88/581491688.db2.gz UVZFEKFALJZHGN-UHFFFAOYSA-N -2 3 339.269 2.842 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000736320399 599774296 /nfs/dbraw/zinc/77/42/96/599774296.db2.gz RABBJBYQXZCRQX-UHFFFAOYSA-N -2 3 337.397 2.624 20 0 EFADHL CC(C)CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736427804 599778007 /nfs/dbraw/zinc/77/80/07/599778007.db2.gz UXIHWWDPRFSDSX-NWDGAFQWSA-N -2 3 329.418 2.861 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[O-])cc2)cc1 ZINC000737203647 600022219 /nfs/dbraw/zinc/02/22/19/600022219.db2.gz QFBNNIWUMAALPF-UHFFFAOYSA-N -2 3 336.369 2.976 20 0 EFADHL Cc1ccc(-c2cc(C(=O)Oc3cccc(CC(=O)[O-])c3)n[n-]2)o1 ZINC000738488050 600027392 /nfs/dbraw/zinc/02/73/92/600027392.db2.gz FSXDAYLXWXVELI-UHFFFAOYSA-N -2 3 326.308 2.824 20 0 EFADHL Cc1cc(N(C)C)ccc1[N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-] ZINC000738401483 600105610 /nfs/dbraw/zinc/10/56/10/600105610.db2.gz DPXPXLMTKXVQAG-UHFFFAOYSA-N -2 3 348.424 2.868 20 0 EFADHL CC[C@@](NC(=O)c1ccc(OC)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC000736917171 600134915 /nfs/dbraw/zinc/13/49/15/600134915.db2.gz PXKCBKYBAQWMDG-SFHVURJKSA-N -2 3 329.352 2.521 20 0 EFADHL C[C@]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)(C(=O)[O-])C1CC1 ZINC000037463772 600239365 /nfs/dbraw/zinc/23/93/65/600239365.db2.gz JGCLTYZAVUKDGO-GFCCVEGCSA-N -2 3 338.212 2.525 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cnc1Cl ZINC000735266929 600298885 /nfs/dbraw/zinc/29/88/85/600298885.db2.gz DOCHUHZZHBDZIS-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL COc1cc(C)sc1C(=O)[N-]c1nnc(CCCC(=O)[O-])s1 ZINC000737871647 600540385 /nfs/dbraw/zinc/54/03/85/600540385.db2.gz LWNVDAFIRZTQJC-UHFFFAOYSA-N -2 3 341.414 2.576 20 0 EFADHL CCC(CC)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000094240626 600790993 /nfs/dbraw/zinc/79/09/93/600790993.db2.gz WJVBTJARTSKHTF-UHFFFAOYSA-N -2 3 340.228 2.915 20 0 EFADHL COc1cccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)c1[O-] ZINC000325319498 600850096 /nfs/dbraw/zinc/85/00/96/600850096.db2.gz CQDKHYKBOOGSLH-LLVKDONJSA-N -2 3 327.336 2.620 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000740075838 600886321 /nfs/dbraw/zinc/88/63/21/600886321.db2.gz PWRXLGLRMKSENX-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000326515146 600886484 /nfs/dbraw/zinc/88/64/84/600886484.db2.gz KZMVEFUPTDBBAX-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2ccc(Br)cc2[O-])C1 ZINC000833188064 600889533 /nfs/dbraw/zinc/88/95/33/600889533.db2.gz VTPXAYAXOOEUSI-RKDXNWHRSA-N -2 3 342.189 2.984 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCC2=CCCCC2)c1F ZINC000390306671 600990956 /nfs/dbraw/zinc/99/09/56/600990956.db2.gz MQBKVNXPTJTTMP-UHFFFAOYSA-N -2 3 345.367 2.832 20 0 EFADHL Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(C)c(C(=O)[O-])s1 ZINC000833002421 601001714 /nfs/dbraw/zinc/00/17/14/601001714.db2.gz YHWXNTAGBQMQBM-UHFFFAOYSA-N -2 3 335.263 2.717 20 0 EFADHL C/C(=C\CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)[O-] ZINC000736122772 601097395 /nfs/dbraw/zinc/09/73/95/601097395.db2.gz YNGRTNCILFBCLB-JXMROGBWSA-N -2 3 342.380 2.644 20 0 EFADHL COc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000832169899 601165364 /nfs/dbraw/zinc/16/53/64/601165364.db2.gz WJHHMOIBWTVXRA-ZBEGNZNMSA-N -2 3 329.352 2.593 20 0 EFADHL O=C([O-])[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000819271213 601187830 /nfs/dbraw/zinc/18/78/30/601187830.db2.gz SEQGBJDAAYKJKY-LBPRGKRZSA-N -2 3 327.336 2.731 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1C(=O)[O-] ZINC000833028725 601223943 /nfs/dbraw/zinc/22/39/43/601223943.db2.gz PFBCIGTWNZGMFK-IJLUTSLNSA-N -2 3 327.402 2.533 20 0 EFADHL CC1CCC(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000321675535 601232118 /nfs/dbraw/zinc/23/21/18/601232118.db2.gz VJPQULDPCJQBCB-UHFFFAOYSA-N -2 3 347.383 2.768 20 0 EFADHL CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000391285135 601238128 /nfs/dbraw/zinc/23/81/28/601238128.db2.gz OYUDSXFKGJRMJG-UWVGGRQHSA-N -2 3 347.383 2.910 20 0 EFADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCCC1 ZINC000318632198 601265212 /nfs/dbraw/zinc/26/52/12/601265212.db2.gz FLQMYTFIHYZWQP-UHFFFAOYSA-N -2 3 349.811 2.935 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1 ZINC000013345417 601317205 /nfs/dbraw/zinc/31/72/05/601317205.db2.gz UFTNLDJGXWBBKM-LFYBBSHMSA-N -2 3 347.392 2.984 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C)c1 ZINC000390872121 601328398 /nfs/dbraw/zinc/32/83/98/601328398.db2.gz PVEWIGFOKWFIFV-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000829340518 601404085 /nfs/dbraw/zinc/40/40/85/601404085.db2.gz RDSAUIJYZVDJTF-LLVKDONJSA-N -2 3 337.800 2.791 20 0 EFADHL O=C([O-])CC1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCC1 ZINC000094291252 601443763 /nfs/dbraw/zinc/44/37/63/601443763.db2.gz IWUZOLOQSWXXPC-UHFFFAOYSA-N -2 3 338.212 2.669 20 0 EFADHL O=C([O-])c1ccc(COC(=O)c2cc(-c3ccco3)[n-]n2)cc1F ZINC000833353559 601721613 /nfs/dbraw/zinc/72/16/13/601721613.db2.gz UUCZMYMXKHDDGW-UHFFFAOYSA-N -2 3 330.271 2.864 20 0 EFADHL O=C([O-])c1ccc(COC(=O)c2cc(-c3ccco3)n[n-]2)cc1F ZINC000833353559 601721615 /nfs/dbraw/zinc/72/16/15/601721615.db2.gz UUCZMYMXKHDDGW-UHFFFAOYSA-N -2 3 330.271 2.864 20 0 EFADHL CC1(C)CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000391282038 601989235 /nfs/dbraw/zinc/98/92/35/601989235.db2.gz IJRXBSNQZASGJJ-NSHDSACASA-N -2 3 347.383 2.910 20 0 EFADHL O=C([O-])CCCCCCCNC(=O)c1c[n-]c2ccccc2c1=O ZINC000402985177 602021930 /nfs/dbraw/zinc/02/19/30/602021930.db2.gz HBVKBRGOCLTIQX-UHFFFAOYSA-N -2 3 330.384 2.683 20 0 EFADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(NC(=O)[O-])cc3)ccc2O1 ZINC000736826482 602673263 /nfs/dbraw/zinc/67/32/63/602673263.db2.gz SYHWAEGZIWPGFG-JTQLQIEISA-N -2 3 348.380 2.901 20 0 EFADHL CC(C)C([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)C ZINC000826718067 604411581 /nfs/dbraw/zinc/41/15/81/604411581.db2.gz ZJBOPIZOWWRCTQ-UHFFFAOYSA-N -2 3 335.372 2.622 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H]2CC3CCC2CC3)c1F ZINC000323800499 604660939 /nfs/dbraw/zinc/66/09/39/604660939.db2.gz GIWCTCVKEGRTGT-NWGYLPEXSA-N -2 3 345.367 2.520 20 0 EFADHL CC(C)(C)[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833424596 605193810 /nfs/dbraw/zinc/19/38/10/605193810.db2.gz KQWCKHQAJYJNMO-RYUDHWBXSA-N -2 3 329.418 2.861 20 0 EFADHL O=C([O-])C1CCC(C(=O)Nc2ccc(Br)cc2[O-])CC1 ZINC000833772174 605214780 /nfs/dbraw/zinc/21/47/80/605214780.db2.gz INIMDSWJNMMXIK-UHFFFAOYSA-N -2 3 342.189 2.984 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@]2(C)CCCC[C@H]2C(=O)[O-])cc1F ZINC000833744801 605246353 /nfs/dbraw/zinc/24/63/53/605246353.db2.gz PKNJTGZUNAYPGU-BONVTDFDSA-N -2 3 347.383 2.585 20 0 EFADHL O=C([O-])NCC(=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000833776909 605766702 /nfs/dbraw/zinc/76/67/02/605766702.db2.gz BUBUSSIZMYWKON-UHFFFAOYSA-N -2 3 343.364 2.875 20 0 EFADHL O=C(NCCCCP(=O)([O-])[O-])c1cccc2c(F)cccc12 ZINC001156103554 1272123387 /nfs/dbraw/zinc/12/33/87/1272123387.db2.gz BEOGPKHCXGSVBT-UHFFFAOYSA-N -2 3 325.276 2.667 20 0 EFADHL COc1ccc(Nc2c(F)cc([O-])cc2F)c(S(=O)(=O)[O-])c1 ZINC001175097045 1287326915 /nfs/dbraw/zinc/32/69/15/1287326915.db2.gz MFQSHXAQANOZBL-UHFFFAOYSA-N -2 3 331.296 2.669 20 0 EFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-][C@H]2C=CCC2)c1 ZINC000871982363 1287385086 /nfs/dbraw/zinc/38/50/86/1287385086.db2.gz LWLJZLMENXYGQH-QMMMGPOBSA-N -2 3 336.196 2.689 20 0 EFADHL CCOC(=O)c1[n-]cnc1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805000 1281767884 /nfs/dbraw/zinc/76/78/84/1281767884.db2.gz ATJXXZIDRQCKMU-UHFFFAOYSA-N -2 3 344.154 2.851 20 0 EFADHL CCOC(=O)c1nc[n-]c1NC(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001148805000 1281767891 /nfs/dbraw/zinc/76/78/91/1281767891.db2.gz ATJXXZIDRQCKMU-UHFFFAOYSA-N -2 3 344.154 2.851 20 0 EFADHL O=C([N-]c1n[n-]c(-c2ccco2)n1)c1scnc1C(F)(F)F ZINC001133906967 1286091604 /nfs/dbraw/zinc/09/16/04/1286091604.db2.gz JAVOWURLVSXNJK-UHFFFAOYSA-N -2 3 329.263 2.792 20 0 EFADHL CCOC(Cc1c(=O)[n-]cnc1Nc1ccc(C(=O)[O-])cc1)OCC ZINC001176711986 1288100637 /nfs/dbraw/zinc/10/06/37/1288100637.db2.gz VPUXYTCSJDQUGF-UHFFFAOYSA-N -2 3 347.371 2.566 20 0 EFADHL O=C(Cc1cccc(-c2ccccc2)c1)NCCCCP(=O)([O-])[O-] ZINC001181112618 1289708919 /nfs/dbraw/zinc/70/89/19/1289708919.db2.gz JVJXVWNEGANCRB-UHFFFAOYSA-N -2 3 347.351 2.970 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc([C@@H](C)O)cc2)cc1C(=O)[O-] ZINC001184695929 1290494687 /nfs/dbraw/zinc/49/46/87/1290494687.db2.gz OJLCADBRKWDSDC-LLVKDONJSA-N -2 3 335.381 2.547 20 0 EFADHL COc1cc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1C ZINC001184696331 1290494737 /nfs/dbraw/zinc/49/47/37/1290494737.db2.gz WYWUHVFYRHBNBP-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL Cc1ccnc(F)c1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188279931 1291363885 /nfs/dbraw/zinc/36/38/85/1291363885.db2.gz VKUAZTVVWPZZBF-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL O=C(Nc1cc([O-])cc(Cl)c1)c1ccccc1S(=O)(=O)[O-] ZINC001189693589 1291817054 /nfs/dbraw/zinc/81/70/54/1291817054.db2.gz BUTRDYHTNSRSDW-UHFFFAOYSA-N -2 3 327.745 2.545 20 0 EFADHL Cc1ccc([O-])c([N-]S(=O)(=O)Cc2ccc(Cl)cc2F)n1 ZINC001191867122 1292699682 /nfs/dbraw/zinc/69/96/82/1292699682.db2.gz VIGAIBBAEFYGAR-UHFFFAOYSA-N -2 3 330.768 2.830 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ncc([O-])cc2Cl)cnc1Cl ZINC001192533402 1292917257 /nfs/dbraw/zinc/91/72/57/1292917257.db2.gz CXQSYCSNPNXMJH-UHFFFAOYSA-N -2 3 334.184 2.598 20 0 EFADHL CC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193283830 1293234511 /nfs/dbraw/zinc/23/45/11/1293234511.db2.gz LHDXNVZRLOYJGA-LBPRGKRZSA-N -2 3 348.424 2.721 20 0 EFADHL CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193283828 1293234652 /nfs/dbraw/zinc/23/46/52/1293234652.db2.gz LHDXNVZRLOYJGA-GFCCVEGCSA-N -2 3 348.424 2.721 20 0 EFADHL O=C(Nc1cc(=O)[n-]c(Cl)n1)c1ccc([O-])cc1C(F)(F)F ZINC001193733942 1293413677 /nfs/dbraw/zinc/41/36/77/1293413677.db2.gz CFBIAPOVGREEDI-UHFFFAOYSA-N -2 3 333.653 2.812 20 0 EFADHL C[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccc(Br)cc1 ZINC001233935669 1313020634 /nfs/dbraw/zinc/02/06/34/1313020634.db2.gz UQYPAUOBMHBDNX-SSDOTTSWSA-N -2 3 335.161 2.549 20 0 EFADHL CCOc1ccc([C@H](C)Oc2[n-]c(=O)nc3cn[n-]c32)c(OCC)c1 ZINC001233940276 1313022235 /nfs/dbraw/zinc/02/22/35/1313022235.db2.gz VSNOYZXDBUGVGA-JTQLQIEISA-N -2 3 344.371 2.584 20 0 EFADHL O=c1nc2cn[n-]c2c(OC2CCC(OCc3ccccc3)CC2)[n-]1 ZINC001233939908 1313022368 /nfs/dbraw/zinc/02/23/68/1313022368.db2.gz QCCPFPBYFOTAGI-UHFFFAOYSA-N -2 3 340.383 2.553 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCCCCC2)c(F)cc1F ZINC001195257738 1293865004 /nfs/dbraw/zinc/86/50/04/1293865004.db2.gz HJWFZNSCROGVAY-UHFFFAOYSA-N -2 3 347.383 2.912 20 0 EFADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(Cl)c1[O-] ZINC000775648949 1293876801 /nfs/dbraw/zinc/87/68/01/1293876801.db2.gz IAWUPZWLZGSGOU-UHFFFAOYSA-N -2 3 340.788 2.669 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cnc(Cl)c(C)c2)c1 ZINC000775677470 1294098778 /nfs/dbraw/zinc/09/87/78/1294098778.db2.gz ZBYQBDHRGWMVHR-UHFFFAOYSA-N -2 3 328.777 2.558 20 0 EFADHL O=C(Nc1ncc([O-])cc1Br)c1cc(Cl)ncc1[O-] ZINC001196389461 1294221810 /nfs/dbraw/zinc/22/18/10/1294221810.db2.gz MYWCRFRJTMNFKC-UHFFFAOYSA-N -2 3 344.552 2.556 20 0 EFADHL O=C(NCCCCP(=O)([O-])[O-])c1c[nH]c(-c2ccc(F)cc2)c1 ZINC001196976690 1294415467 /nfs/dbraw/zinc/41/54/67/1294415467.db2.gz SQGUFNJOCMOKKL-UHFFFAOYSA-N -2 3 340.291 2.509 20 0 EFADHL Cc1ccnc(S(=O)(=O)[N-]c2cccc([O-])c2Br)c1 ZINC001198009192 1294827874 /nfs/dbraw/zinc/82/78/74/1294827874.db2.gz IZXVTYCKCXNCJU-UHFFFAOYSA-N -2 3 343.202 2.659 20 0 EFADHL CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198782669 1295228275 /nfs/dbraw/zinc/22/82/75/1295228275.db2.gz NJVQBBNOFHPWGZ-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL COc1ccc(-c2nnn[n-]2)cc1-c1ccc(F)c(C(=O)[O-])c1F ZINC001205100577 1313231910 /nfs/dbraw/zinc/23/19/10/1313231910.db2.gz RJLGDRBJEGXIOU-UHFFFAOYSA-N -2 3 332.266 2.519 20 0 EFADHL COc1ccc(-c2nn[n-]n2)cc1-c1ccc(F)c(C(=O)[O-])c1F ZINC001205100577 1313231914 /nfs/dbraw/zinc/23/19/14/1313231914.db2.gz RJLGDRBJEGXIOU-UHFFFAOYSA-N -2 3 332.266 2.519 20 0 EFADHL COc1ccc(Cl)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000794712727 1303037198 /nfs/dbraw/zinc/03/71/98/1303037198.db2.gz KRRPKZQKDIHSPX-UTCJRWHESA-N -2 3 334.759 2.950 20 0 EFADHL COc1ccc(-c2nnn[n-]2)cc1-c1cc(C(=O)[O-])cc(F)c1C ZINC001242210332 1314192811 /nfs/dbraw/zinc/19/28/11/1314192811.db2.gz HIJCPJVYBQHUFP-UHFFFAOYSA-N -2 3 328.303 2.688 20 0 EFADHL COc1ccc(-c2nn[n-]n2)cc1-c1cc(C(=O)[O-])cc(F)c1C ZINC001242210332 1314192812 /nfs/dbraw/zinc/19/28/12/1314192812.db2.gz HIJCPJVYBQHUFP-UHFFFAOYSA-N -2 3 328.303 2.688 20 0 EFADHL Nc1ccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2)cc1Cl ZINC001209889598 1314254734 /nfs/dbraw/zinc/25/47/34/1314254734.db2.gz PWAHJHUOFBXQNR-UHFFFAOYSA-N -2 3 344.751 2.560 20 0 EFADHL COc1ccc(C(=O)[O-])cc1Nc1cccc(C(=O)N(C)C)c1[O-] ZINC001210260294 1314303247 /nfs/dbraw/zinc/30/32/47/1314303247.db2.gz KMYBFBQIRPPBQA-UHFFFAOYSA-N -2 3 330.340 2.544 20 0 EFADHL O=S(=O)([O-])c1cccc(-c2cc(OC(F)(F)F)ccc2[O-])n1 ZINC001244456808 1314382284 /nfs/dbraw/zinc/38/22/84/1314382284.db2.gz FWPICSQXSGHSDE-UHFFFAOYSA-N -2 3 335.259 2.600 20 0 EFADHL CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H](C)OCCP(=O)([O-])[O-] ZINC001224605331 1311412738 /nfs/dbraw/zinc/41/27/38/1311412738.db2.gz HRWVNBTUEMMKEC-ZOBORPQBSA-N -2 3 336.365 2.573 20 0 EFADHL O=P([O-])([O-])CCCCOC[C@H]1CCC(c2ccccc2)=NO1 ZINC001225020026 1311464852 /nfs/dbraw/zinc/46/48/52/1311464852.db2.gz IEJWWRAOJUBERQ-CQSZACIVSA-N -2 3 327.317 2.544 20 0 EFADHL COc1cccc2c1[C@@H](Oc1nc3ncnc-3c([S-])[n-]1)CCO2 ZINC001226786325 1311722733 /nfs/dbraw/zinc/72/27/33/1311722733.db2.gz PQCWSUDBLIYQQI-JTQLQIEISA-N -2 3 330.369 2.553 20 0 EFADHL [S-]c1[n-]c(OC2CC(OCc3ccccc3)C2)nc2ncnc1-2 ZINC001226786824 1311723804 /nfs/dbraw/zinc/72/38/04/1311723804.db2.gz SGCXKHUFEFGXMW-UHFFFAOYSA-N -2 3 328.397 2.768 20 0 EFADHL O=c1nc2nc(Br)[n-]c2c(O[C@@H]2CCc3ccccc32)[n-]1 ZINC001227593829 1311825782 /nfs/dbraw/zinc/82/57/82/1311825782.db2.gz HSWKXVFGHUVQJR-SECBINFHSA-N -2 3 347.172 2.887 20 0 EFADHL C[C@H]1CC[C@@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)CC1 ZINC001227596327 1311826444 /nfs/dbraw/zinc/82/64/44/1311826444.db2.gz JSXLDIYTBCWARN-KNVOCYPGSA-N -2 3 327.182 2.779 20 0 EFADHL O=c1nc2nc(Br)[n-]c2c(OC2CCCCCC2)[n-]1 ZINC001227595541 1311826797 /nfs/dbraw/zinc/82/67/97/1311826797.db2.gz ZSWARJLTDXBJAW-UHFFFAOYSA-N -2 3 327.182 2.923 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@H]1CCCCC1=O ZINC001228122482 1311902611 /nfs/dbraw/zinc/90/26/11/1311902611.db2.gz NHECTBJWNZSHHD-KRWDZBQOSA-N -2 3 342.347 2.925 20 0 EFADHL C[C@H]1COCC[C@H]1Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121276 1311902658 /nfs/dbraw/zinc/90/26/58/1311902658.db2.gz BKDKYAZYDIPTJT-APPDUMDISA-N -2 3 344.363 2.838 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@@H]1CCOC[C@@H]1F ZINC001228123089 1311903442 /nfs/dbraw/zinc/90/34/42/1311903442.db2.gz RBZXYSWGERYBSM-GOEBONIOSA-N -2 3 348.326 2.540 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1OC[C@@H]1CCCCO1 ZINC001228123077 1311903715 /nfs/dbraw/zinc/90/37/15/1311903715.db2.gz QYZZKQYNULSANZ-AWEZNQCLSA-N -2 3 344.363 2.982 20 0 EFADHL C[C@H](O)CCCC(=O)Oc1cc([O-])ccc1C(=O)c1ccc([O-])cc1 ZINC001229298432 1312074727 /nfs/dbraw/zinc/07/47/27/1312074727.db2.gz YEOLPSONWYICAN-LBPRGKRZSA-N -2 3 344.363 2.785 20 0 EFADHL O=C([O-])CCC(=O)Nc1ccc(Nc2ncc(Cl)cc2[O-])cc1 ZINC001213181077 1314518305 /nfs/dbraw/zinc/51/83/05/1314518305.db2.gz PPIPYXWQDGLNPN-UHFFFAOYSA-N -2 3 335.747 2.988 20 0 EFADHL O=C([O-])c1cnc(F)c([N-]c2nc3cccc(C(F)(F)F)n3n2)c1 ZINC001215126001 1314785060 /nfs/dbraw/zinc/78/50/60/1314785060.db2.gz CDHKPMGYIIWEDZ-UHFFFAOYSA-N -2 3 341.224 2.724 20 0 EFADHL O=c1c(OC2CC(O)C2)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218260435 1315171970 /nfs/dbraw/zinc/17/19/70/1315171970.db2.gz PQSIHLHGHDCZFT-UHFFFAOYSA-N -2 3 340.331 2.773 20 0 EFADHL Cc1cc([O-])c([N-]S(=O)(=O)CC(F)(F)F)cc1Br ZINC001253193159 1315578736 /nfs/dbraw/zinc/57/87/36/1315578736.db2.gz ILKMJYKBYMOOFC-UHFFFAOYSA-N -2 3 348.140 2.767 20 0 EFADHL CCCS(=O)(=O)[N-]c1c(Cl)ccc(Br)c1[O-] ZINC001253716277 1315631316 /nfs/dbraw/zinc/63/13/16/1315631316.db2.gz SSHSMQPMGLGUKL-UHFFFAOYSA-N -2 3 328.615 2.960 20 0 EFADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cccc2cnccc21 ZINC001259152582 1316213674 /nfs/dbraw/zinc/21/36/74/1316213674.db2.gz SSQBPTQIDQDCMK-UHFFFAOYSA-N -2 3 335.772 2.790 20 0 EFADHL CC(=O)c1cccc([N-]S(=O)(=O)CCc2ccccc2F)c1[O-] ZINC001259786753 1316278559 /nfs/dbraw/zinc/27/85/59/1316278559.db2.gz NLXXRRMNGDYLKQ-UHFFFAOYSA-N -2 3 337.372 2.718 20 0 EFADHL COc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260227490 1316324419 /nfs/dbraw/zinc/32/44/19/1316324419.db2.gz MXJCMBYLXUBQOE-UHFFFAOYSA-N -2 3 341.772 2.848 20 0 EFADHL Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(Cl)c1[O-] ZINC001260227986 1316324663 /nfs/dbraw/zinc/32/46/63/1316324663.db2.gz QMKHPZPVNKKOMR-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL COc1ccc(C)cc1S(=O)(=O)[N-]c1ncc([O-])cc1Cl ZINC001260293104 1316329337 /nfs/dbraw/zinc/32/93/37/1316329337.db2.gz NPBGHFKCVNJXFD-UHFFFAOYSA-N -2 3 328.777 2.558 20 0 EFADHL Cc1cc(F)cc(C)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC001260399761 1316337424 /nfs/dbraw/zinc/33/74/24/1316337424.db2.gz ACNFKFHSLZZBTC-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL O=C(c1cc2sccc2c([O-])c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000847079389 1333313736 /nfs/dbraw/zinc/31/37/36/1333313736.db2.gz KGMYOITWQRXOAK-SECBINFHSA-N -2 3 345.380 2.715 20 0 EFADHL O=C(NCc1ccc([O-])c(Br)c1)c1cccc(F)c1[O-] ZINC001362260096 1336577697 /nfs/dbraw/zinc/57/76/97/1336577697.db2.gz IAFIIDQGLXWIQE-UHFFFAOYSA-N -2 3 340.148 2.929 20 0 EFADHL CCc1ncsc1[N-]C(=O)N[C@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825755135 1428347202 /nfs/dbraw/zinc/34/72/02/1428347202.db2.gz OTADWOFELFUOFT-SECBINFHSA-N -2 3 343.416 2.768 20 0 EFADHL CCc1ncsc1[N-]C(=O)N[C@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825755135 1428347206 /nfs/dbraw/zinc/34/72/06/1428347206.db2.gz OTADWOFELFUOFT-SECBINFHSA-N -2 3 343.416 2.768 20 0 EFADHL CS[C@@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826225203 1428660317 /nfs/dbraw/zinc/66/03/17/1428660317.db2.gz WHFPWQMHPVYZFP-QMMMGPOBSA-N -2 3 346.441 2.680 20 0 EFADHL CS[C@@H](C)C(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826225203 1428660322 /nfs/dbraw/zinc/66/03/22/1428660322.db2.gz WHFPWQMHPVYZFP-QMMMGPOBSA-N -2 3 346.441 2.680 20 0 EFADHL O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(Br)cc1[O-] ZINC001556723092 1415084578 /nfs/dbraw/zinc/08/45/78/1415084578.db2.gz QORBQRJJIMNLOZ-UHFFFAOYSA-N -2 3 348.156 2.989 20 0 EFADHL CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000074803992 1423394023 /nfs/dbraw/zinc/39/40/23/1423394023.db2.gz PYYTYEIUKZYIEZ-UHFFFAOYSA-N -2 3 343.412 2.791 20 0 EFADHL CC(C)c1cnc([N-]C(=O)Cc2cccc(-c3nnn[n-]3)c2)s1 ZINC000820196706 1424929980 /nfs/dbraw/zinc/92/99/80/1424929980.db2.gz AATZZUPWEKDZQD-UHFFFAOYSA-N -2 3 328.401 2.628 20 0 EFADHL CC(C)c1cnc([N-]C(=O)Cc2cccc(-c3nn[n-]n3)c2)s1 ZINC000820196706 1424929981 /nfs/dbraw/zinc/92/99/81/1424929981.db2.gz AATZZUPWEKDZQD-UHFFFAOYSA-N -2 3 328.401 2.628 20 0 EFADHL CCc1ncsc1[N-]C(=O)N[C@@H](C)c1cccc(-c2nn[n-]n2)c1 ZINC000825755136 1425116145 /nfs/dbraw/zinc/11/61/45/1425116145.db2.gz OTADWOFELFUOFT-VIFPVBQESA-N -2 3 343.416 2.768 20 0 EFADHL CCc1ncsc1[N-]C(=O)N[C@@H](C)c1cccc(-c2nnn[n-]2)c1 ZINC000825755136 1425116151 /nfs/dbraw/zinc/11/61/51/1425116151.db2.gz OTADWOFELFUOFT-VIFPVBQESA-N -2 3 343.416 2.768 20 0 EFADHL C[C@@H]1C[C@@H]1c1ccc(CCC(=O)[N-]c2ncc(-c3nn[n-]n3)s2)o1 ZINC000820673999 1425485415 /nfs/dbraw/zinc/48/54/15/1425485415.db2.gz AKZDITXTVHDXEM-SCZZXKLOSA-N -2 3 344.400 2.611 20 0 EFADHL C[C@@H]1C[C@@H]1c1ccc(CCC(=O)[N-]c2ncc(-c3nnn[n-]3)s2)o1 ZINC000820673999 1425485419 /nfs/dbraw/zinc/48/54/19/1425485419.db2.gz AKZDITXTVHDXEM-SCZZXKLOSA-N -2 3 344.400 2.611 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)cc1C ZINC000822267501 1426167174 /nfs/dbraw/zinc/16/71/74/1426167174.db2.gz XHSROWDFBQXTSP-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)cc1C ZINC000822267501 1426167179 /nfs/dbraw/zinc/16/71/79/1426167179.db2.gz XHSROWDFBQXTSP-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL CC(C)c1ccc(C(=O)N2CCc3ccc(-c4nn[n-]n4)cc32)c([O-])c1 ZINC000824347769 1443690672 /nfs/dbraw/zinc/69/06/72/1443690672.db2.gz NEJWPNSNYKAROZ-UHFFFAOYSA-N -2 3 349.394 2.899 20 0 EFADHL CC(C)c1ccc(C(=O)N2CCc3ccc(-c4nnn[n-]4)cc32)c([O-])c1 ZINC000824347769 1443690677 /nfs/dbraw/zinc/69/06/77/1443690677.db2.gz NEJWPNSNYKAROZ-UHFFFAOYSA-N -2 3 349.394 2.899 20 0 EFADHL O=C(CCC1CCCCC1)[N-]OCc1ccc(-c2nn[n-]n2)cc1F ZINC000737824350 1443757764 /nfs/dbraw/zinc/75/77/64/1443757764.db2.gz QFEBGMGHVMVCSO-UHFFFAOYSA-N -2 3 347.394 2.914 20 0 EFADHL O=C(CCC1CCCCC1)[N-]OCc1ccc(-c2nnn[n-]2)cc1F ZINC000737824350 1443757767 /nfs/dbraw/zinc/75/77/67/1443757767.db2.gz QFEBGMGHVMVCSO-UHFFFAOYSA-N -2 3 347.394 2.914 20 0 EFADHL O=C(c1ccc([O-])cc1)C1CCN(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826472939 1449578280 /nfs/dbraw/zinc/57/82/80/1449578280.db2.gz DCKRJLCEIJOYDW-UHFFFAOYSA-N -2 3 349.394 2.672 20 0 EFADHL CCc1ncsc1[N-]C(=O)N(C)Cc1cccc(-c2nn[n-]n2)c1 ZINC000825755158 1449702225 /nfs/dbraw/zinc/70/22/25/1449702225.db2.gz PQVHWCBRJBIFLE-UHFFFAOYSA-N -2 3 343.416 2.550 20 0 EFADHL CCc1ncsc1[N-]C(=O)N(C)Cc1cccc(-c2nnn[n-]2)c1 ZINC000825755158 1449702227 /nfs/dbraw/zinc/70/22/27/1449702227.db2.gz PQVHWCBRJBIFLE-UHFFFAOYSA-N -2 3 343.416 2.550 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2ccc(COC)cc2)cc1C(=O)[O-] ZINC000326533183 715038461 /nfs/dbraw/zinc/03/84/61/715038461.db2.gz ROCVFMIYIPBEEW-UHFFFAOYSA-N -2 3 349.408 2.894 20 0 EFADHL CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000326858396 715287095 /nfs/dbraw/zinc/28/70/95/715287095.db2.gz SOVDMWCFYKCUIK-LBPRGKRZSA-N -2 3 342.395 2.903 20 0 EFADHL CCC(CC)(CNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909383984 716756715 /nfs/dbraw/zinc/75/67/15/716756715.db2.gz VDKNXETXSQKAEB-UHFFFAOYSA-N -2 3 325.380 2.861 20 0 EFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C)c1Cl ZINC000261615508 719763182 /nfs/dbraw/zinc/76/31/82/719763182.db2.gz AVCLTHNGHQXYKB-SNVBAGLBSA-N -2 3 340.228 2.689 20 0 EFADHL O=C([N-]NC(=O)c1ccc(Cl)cc1[O-])c1ccc(Cl)s1 ZINC000048737505 722751160 /nfs/dbraw/zinc/75/11/60/722751160.db2.gz JESDWUWZRRISRV-UHFFFAOYSA-N -2 3 331.180 2.835 20 0 EFADHL C[C@H](CN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1)C(=O)[O-] ZINC000909456935 723414408 /nfs/dbraw/zinc/41/44/08/723414408.db2.gz YILDPCJIFRSPKQ-MRVPVSSYSA-N -2 3 331.290 2.736 20 0 EFADHL CC(=O)c1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)[O-])C2)cc1[O-] ZINC000909489310 723509383 /nfs/dbraw/zinc/50/93/83/723509383.db2.gz DSZQNCWIIILDNS-CYBMUJFWSA-N -2 3 333.384 2.558 20 0 EFADHL COCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1 ZINC000324027621 725580234 /nfs/dbraw/zinc/58/02/34/725580234.db2.gz OZCYYJBYTQIEEP-UHFFFAOYSA-N -2 3 335.381 2.640 20 0 EFADHL CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1F ZINC000906931813 726825020 /nfs/dbraw/zinc/82/50/20/726825020.db2.gz OKLCMABFYYTUBB-SSDOTTSWSA-N -2 3 343.298 2.533 20 0 EFADHL CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000906932146 726825045 /nfs/dbraw/zinc/82/50/45/726825045.db2.gz VEVFYNKGLZXVJF-QMMMGPOBSA-N -2 3 343.298 2.533 20 0 EFADHL CC(C)[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000906950161 726837202 /nfs/dbraw/zinc/83/72/02/726837202.db2.gz DIQFUCVQINUDRM-MRVPVSSYSA-N -2 3 345.364 2.702 20 0 EFADHL C[C@H](CN(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908837359 727270849 /nfs/dbraw/zinc/27/08/49/727270849.db2.gz PXEKHVJMARQODM-CYBMUJFWSA-N -2 3 345.370 2.823 20 0 EFADHL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cc([O-])ccc1Cl ZINC000908981525 727297811 /nfs/dbraw/zinc/29/78/11/727297811.db2.gz WZSPWMAYXCRABQ-LLVKDONJSA-N -2 3 343.807 2.635 20 0 EFADHL CC(C)C[C@@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000909287380 727359385 /nfs/dbraw/zinc/35/93/85/727359385.db2.gz YMWUXZMFFGLGBE-JTQLQIEISA-N -2 3 333.306 2.888 20 0 EFADHL CC[C@@H](C)C[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909864562 727390036 /nfs/dbraw/zinc/39/00/36/727390036.db2.gz BJMWJHZDRYYWFC-RISCZKNCSA-N -2 3 325.380 2.860 20 0 EFADHL COc1ccccc1CO[N-]C(=O)C12CCC(C(=O)[O-])(CC1)CC2 ZINC000911805937 727602150 /nfs/dbraw/zinc/60/21/50/727602150.db2.gz QZPLHEGTROZIAN-UHFFFAOYSA-N -2 3 333.384 2.668 20 0 EFADHL O=C([O-])[C@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000323948695 971064602 /nfs/dbraw/zinc/06/46/02/971064602.db2.gz WFONOCKEJBUHMT-ZDUSSCGKSA-N -2 3 347.383 2.667 20 0 EFADHL COc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)ccc1C(=O)[O-] ZINC000327850114 971428717 /nfs/dbraw/zinc/42/87/17/971428717.db2.gz UDEICIRNQSNQOQ-UHFFFAOYSA-N -2 3 338.319 2.900 20 0 EFADHL CC(C)(C)n1cc(-c2nnn[n-]2)cc1NC(=O)c1cccc(F)c1[O-] ZINC001573887696 950854016 /nfs/dbraw/zinc/85/40/16/950854016.db2.gz JDINCTPTNMGAJJ-UHFFFAOYSA-N -2 3 344.350 2.520 20 0 EFADHL CC(C)(C)n1cc(-c2nn[n-]n2)cc1NC(=O)c1cccc(F)c1[O-] ZINC001573887696 950854041 /nfs/dbraw/zinc/85/40/41/950854041.db2.gz JDINCTPTNMGAJJ-UHFFFAOYSA-N -2 3 344.350 2.520 20 0 EFADHL O=C([O-])CCCCC(=O)Nc1n[n-]c(-c2ccc3ccccc3n2)n1 ZINC001595034554 951388791 /nfs/dbraw/zinc/38/87/91/951388791.db2.gz BPCFZVQPEJVUSI-UHFFFAOYSA-N -2 3 339.355 2.603 20 0 EFADHL CC[C@@H](CNC(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001589549488 955211166 /nfs/dbraw/zinc/21/11/66/955211166.db2.gz UDWYJESJAXKVMO-HNNXBMFYSA-N -2 3 327.380 2.824 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cccc3c2CCCC3)ccc1O ZINC000013345868 957033759 /nfs/dbraw/zinc/03/37/59/957033759.db2.gz SWJVBJMCKJNUER-UHFFFAOYSA-N -2 3 347.392 2.770 20 0 EFADHL CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000049094300 957473558 /nfs/dbraw/zinc/47/35/58/957473558.db2.gz WVGCPLYPAYBOIA-YUMQZZPRSA-N -2 3 337.800 2.890 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CC=CCC2)c1F ZINC000088747659 958065273 /nfs/dbraw/zinc/06/52/73/958065273.db2.gz AGIMALLDFGKPHZ-SECBINFHSA-N -2 3 333.768 2.564 20 0 EFADHL COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]C1(C(=O)[O-])CCCC1 ZINC001594096489 958409751 /nfs/dbraw/zinc/40/97/51/958409751.db2.gz HQRFIIWXRRWQKM-UHFFFAOYSA-N -2 3 347.745 2.954 20 0 EFADHL CC(C)(CCC(=O)[O-])NC(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001573469891 958946377 /nfs/dbraw/zinc/94/63/77/958946377.db2.gz JPVAEMDDXZIUBN-UHFFFAOYSA-N -2 3 336.775 2.555 20 0 EFADHL Cc1cnc(Cl)c(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c1 ZINC001594430144 959168819 /nfs/dbraw/zinc/16/88/19/959168819.db2.gz FJNVWKKHOXKQTK-SNVBAGLBSA-N -2 3 348.852 2.601 20 0 EFADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)[C@@]3(C(=O)[O-])CC3(C)C)c2)n1 ZINC001594269729 959788540 /nfs/dbraw/zinc/78/85/40/959788540.db2.gz XOCLETYYNRKUKU-SFHVURJKSA-N -2 3 342.351 2.564 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)C(F)(F)F ZINC001188336067 960555789 /nfs/dbraw/zinc/55/57/89/960555789.db2.gz SIUZZUHFSNBBKO-SECBINFHSA-N -2 3 345.726 2.657 20 0 EFADHL O=C([O-])c1cc(NC(=O)CCCc2ccc([O-])c(F)c2)ccc1O ZINC001574524354 961869443 /nfs/dbraw/zinc/86/94/43/961869443.db2.gz MAPLYZQGFFSNRU-UHFFFAOYSA-N -2 3 333.315 2.897 20 0 EFADHL CC[C@H](NC(=O)c1cc(CCc2ccccc2)ccc1[O-])C(=O)[O-] ZINC001571175542 962099063 /nfs/dbraw/zinc/09/90/63/962099063.db2.gz KQZRIXDAHWMGOD-INIZCTEOSA-N -2 3 327.380 2.770 20 0 EFADHL O=C([O-])c1c([N-]C(=O)c2ocnc2C(F)F)sc2c1CCOC2 ZINC001574614187 962206103 /nfs/dbraw/zinc/20/61/03/962206103.db2.gz HRQOUDXKGFHQSC-UHFFFAOYSA-N -2 3 344.295 2.697 20 0 EFADHL CC(C)CC1(C[N-]S(=O)(=O)c2occc2C(=O)[O-])CCCC1 ZINC001571187609 962225125 /nfs/dbraw/zinc/22/51/25/962225125.db2.gz JYSYBPFMCIELRN-UHFFFAOYSA-N -2 3 329.418 2.863 20 0 EFADHL C[C@H]1CCCC[C@@]1(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000308419515 963272784 /nfs/dbraw/zinc/27/27/84/963272784.db2.gz MBALVGJWQNBBCY-BJOHPYRUSA-N -2 3 347.383 2.910 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])no1)c1cccc2ccccc21 ZINC000315947099 963957025 /nfs/dbraw/zinc/95/70/25/963957025.db2.gz JSJQWTTYICYPSQ-JTQLQIEISA-N -2 3 346.364 2.566 20 0 EFADHL O=C([O-])[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)Cc2ccccc21 ZINC000323870944 968027304 /nfs/dbraw/zinc/02/73/04/968027304.db2.gz RYLZAVIMPXCQKT-AWEZNQCLSA-N -2 3 331.755 2.870 20 0 EFADHL CC1(C)CC([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC(C)(C)C1 ZINC000317544345 970368138 /nfs/dbraw/zinc/36/81/38/970368138.db2.gz LBUAGNGNQJNVDN-UHFFFAOYSA-N -2 3 346.474 2.725 20 0 EFADHL C[C@@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000318225592 970419345 /nfs/dbraw/zinc/41/93/45/970419345.db2.gz IWZAVVGGVVPPMV-BDAKNGLRSA-N -2 3 349.811 2.892 20 0 EFADHL O=C([O-])c1c([N-]C(=O)c2ocnc2C(F)F)sc2c1COCC2 ZINC001605878384 972658589 /nfs/dbraw/zinc/65/85/89/972658589.db2.gz BENHHKNJPGZRPA-UHFFFAOYSA-N -2 3 344.295 2.697 20 0 EFADHL CC(C)=CCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000397680969 973012983 /nfs/dbraw/zinc/01/29/83/973012983.db2.gz TUTYQPQAFCJIIA-UHFFFAOYSA-N -2 3 335.784 2.812 20 0 EFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000400439349 973279038 /nfs/dbraw/zinc/27/90/38/973279038.db2.gz FHQYUKVHZIWMPZ-SCZZXKLOSA-N -2 3 337.800 2.647 20 0 EFADHL CCC(CC)(C(=O)[O-])C(=O)NCc1ccc([O-])c(Br)c1 ZINC001603522732 973554781 /nfs/dbraw/zinc/55/47/81/973554781.db2.gz UNEIISDCJXGSNX-UHFFFAOYSA-N -2 3 344.205 2.662 20 0 EFADHL CCCCOc1ccc(C(=O)N2CC[C@H](C)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC001603649505 974012697 /nfs/dbraw/zinc/01/26/97/974012697.db2.gz ZXAZSBQEEPVIAY-SWLSCSKDSA-N -2 3 335.400 2.754 20 0 EFADHL CCCCOc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)[O-])C2)c([O-])c1 ZINC001603649503 974013354 /nfs/dbraw/zinc/01/33/54/974013354.db2.gz ZXAZSBQEEPVIAY-DOMZBBRYSA-N -2 3 335.400 2.754 20 0 EFADHL O=C([O-])[C@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001605709180 974138142 /nfs/dbraw/zinc/13/81/42/974138142.db2.gz GOEXHXVBNIZEAE-DZGCQCFKSA-N -2 3 329.327 2.503 20 0 EFADHL CC(C)c1ccc(CC[N-]S(=O)(=O)c2occc2C(=O)[O-])cc1 ZINC001591954124 976521684 /nfs/dbraw/zinc/52/16/84/976521684.db2.gz KMVQHYMRSRPAKS-UHFFFAOYSA-N -2 3 337.397 2.622 20 0 EFADHL O=C([O-])[C@@H]1CCCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000700689066 976964216 /nfs/dbraw/zinc/96/42/16/976964216.db2.gz KIOPGGSCFAEGQM-LBPRGKRZSA-N -2 3 342.189 2.624 20 0 EFADHL C[C@](CC(=O)[O-])(NC(=O)c1cc([O-])ccc1Cl)c1cccnc1 ZINC001592304394 977664392 /nfs/dbraw/zinc/66/43/92/977664392.db2.gz RKSNFJFVGGTBJL-MRXNPFEDSA-N -2 3 334.759 2.561 20 0 EFADHL CC[C@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000776536311 978751140 /nfs/dbraw/zinc/75/11/40/978751140.db2.gz HPYYHYOWOWXUFF-MRVPVSSYSA-N -2 3 340.228 2.691 20 0 EFADHL CC[C@@H](C[N-]S(=O)(=O)c1c(Cl)ccc(C)c1Cl)C(=O)[O-] ZINC000776536317 978751286 /nfs/dbraw/zinc/75/12/86/978751286.db2.gz HPYYHYOWOWXUFF-QMMMGPOBSA-N -2 3 340.228 2.691 20 0 EFADHL CC[C@@](CNC(=O)c1ccc(C)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC001595160795 979687566 /nfs/dbraw/zinc/68/75/66/979687566.db2.gz RGBRPYCAQWBNAR-IBGZPJMESA-N -2 3 327.380 2.863 20 0 EFADHL CC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595444637 981089554 /nfs/dbraw/zinc/08/95/54/981089554.db2.gz SNZHZGPIYNTYNT-VXGBXAGGSA-N -2 3 329.418 2.781 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CCCCC1 ZINC001595604478 981589008 /nfs/dbraw/zinc/58/90/08/981589008.db2.gz JCSMLBWJXFOTNT-LLVKDONJSA-N -2 3 346.474 2.869 20 0 EFADHL CCC(C)(C)CCS(=O)(=O)[N-]c1c(C)nn(CCC(=O)[O-])c1C ZINC001594800828 981890378 /nfs/dbraw/zinc/89/03/78/981890378.db2.gz LHBZYEVTYVSHBC-UHFFFAOYSA-N -2 3 345.465 2.543 20 0 EFADHL CCCCOc1ccc(C(=O)NCc2ccc(C(=O)[O-])nc2)c([O-])c1 ZINC001595776547 982543651 /nfs/dbraw/zinc/54/36/51/982543651.db2.gz DJDIQILOOOSCIF-UHFFFAOYSA-N -2 3 344.367 2.594 20 0 EFADHL Cc1c(Br)ccc([O-])c1NC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001574665054 983268141 /nfs/dbraw/zinc/26/81/41/983268141.db2.gz SUMCPLIYYPYLIX-UHFFFAOYSA-N -2 3 339.145 2.742 20 0 EFADHL C[C@H](C(=O)[O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC001589540244 987241633 /nfs/dbraw/zinc/24/16/33/987241633.db2.gz SPQMDBSBJMJZCS-NSHDSACASA-N -2 3 347.392 2.610 20 0 EFADHL CCc1cc2c(CSc3nc(C(=O)[O-])c[nH]3)cc(=O)oc2cc1[O-] ZINC001597489361 988009227 /nfs/dbraw/zinc/00/92/27/988009227.db2.gz GONMJUSFRFMBJF-UHFFFAOYSA-N -2 3 346.364 2.775 20 0 EFADHL CCc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])c([O-])c1 ZINC001597503399 988072758 /nfs/dbraw/zinc/07/27/58/988072758.db2.gz RSLWZUCJZRLGTI-UHFFFAOYSA-N -2 3 345.351 2.922 20 0 EFADHL CCc1cccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)c(F)c2)c1[O-] ZINC001597570515 988344652 /nfs/dbraw/zinc/34/46/52/988344652.db2.gz MNQYQJOTHFPTQY-UHFFFAOYSA-N -2 3 349.333 2.960 20 0 EFADHL CCc1cccc(C(=O)N2CCc3c(F)ccc(C(=O)[O-])c3C2)c1[O-] ZINC001597570632 988348127 /nfs/dbraw/zinc/34/81/27/988348127.db2.gz UZVBYJMYFGIJTI-UHFFFAOYSA-N -2 3 343.354 2.990 20 0 EFADHL CSc1ccc([O-])c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1 ZINC001599820390 988502767 /nfs/dbraw/zinc/50/27/67/988502767.db2.gz XGGWHKFGEUVNFI-CQSZACIVSA-N -2 3 331.393 2.712 20 0 EFADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC001599878711 989454545 /nfs/dbraw/zinc/45/45/45/989454545.db2.gz HLVJXIIWPWKODT-GHMZBOCLSA-N -2 3 341.367 2.767 20 0 EFADHL CC(C)(CS(=O)(=O)[N-]c1cccnc1-c1ccccc1)C(=O)[O-] ZINC001590812114 990643173 /nfs/dbraw/zinc/64/31/73/990643173.db2.gz HRJJPUCHFWJEHI-UHFFFAOYSA-N -2 3 334.397 2.601 20 0 EFADHL CC(C)(CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC001590820869 990658785 /nfs/dbraw/zinc/65/87/85/990658785.db2.gz ZZSNITOGCJLSIF-UHFFFAOYSA-N -2 3 326.201 2.846 20 0 EFADHL CC(C)CC[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001591229102 992108913 /nfs/dbraw/zinc/10/89/13/992108913.db2.gz UXUNRZDVGKJCTD-YPMHNXCESA-N -2 3 329.418 2.861 20 0 EFADHL C[C@@H](NC(=O)c1cc([O-])ccc1Cl)c1ncc(C(=O)[O-])s1 ZINC001593156779 993978188 /nfs/dbraw/zinc/97/81/88/993978188.db2.gz WPNANYKXKSDDMZ-ZCFIWIBFSA-N -2 3 326.761 2.691 20 0 EFADHL C[C@@H](c1ccc(F)c(F)c1)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593694527 996150743 /nfs/dbraw/zinc/15/07/43/996150743.db2.gz XLMRFTAESREKRD-CRXHENFRSA-N -2 3 339.338 2.523 20 0 EFADHL C[C@@H](c1ccc(F)c(F)c1)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593694528 996150814 /nfs/dbraw/zinc/15/08/14/996150814.db2.gz XLMRFTAESREKRD-FIGBRSHNSA-N -2 3 339.338 2.523 20 0 EFADHL COC(=O)c1cnc(S[C@H](C(=O)[O-])c2ccc(Cl)cc2)[n-]1 ZINC001598917188 997494296 /nfs/dbraw/zinc/49/42/96/997494296.db2.gz LFTYSSGCJURLOJ-JTQLQIEISA-N -2 3 326.761 2.768 20 0 EFADHL COC(=O)c1cc(C(=O)O[C@H]2CCCc3cc(C(=O)[O-])ccc32)c[n-]1 ZINC001598926520 997657037 /nfs/dbraw/zinc/65/70/37/997657037.db2.gz NJVHLHJNVZVKMF-HNNXBMFYSA-N -2 3 343.335 2.734 20 0 EFADHL COc1cc(C(=O)[N-]c2nc(C3CCCC3)c(C(=O)[O-])s2)on1 ZINC001599356374 998186000 /nfs/dbraw/zinc/18/60/00/998186000.db2.gz JPJWXOPGFZVNJQ-UHFFFAOYSA-N -2 3 337.357 2.748 20 0 EFADHL COc1ccc(Cl)cc1C(F)(F)C(=O)[N-]c1cc(C(=O)[O-])no1 ZINC001599578795 998490650 /nfs/dbraw/zinc/49/06/50/998490650.db2.gz HLPDDJYPSJCOIG-UHFFFAOYSA-N -2 3 346.673 2.765 20 0 EFADHL C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001594160146 998596166 /nfs/dbraw/zinc/59/61/66/998596166.db2.gz YFLJZCCHDCYMLK-CZUORRHYSA-N -2 3 339.391 2.918 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c2ccccc12)C1CC1 ZINC001599056619 999234533 /nfs/dbraw/zinc/23/45/33/999234533.db2.gz CUESHTUAYGJPRR-INIZCTEOSA-N -2 3 349.408 2.705 20 0 EFADHL C[C@H]1CCC[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001594359467 999358427 /nfs/dbraw/zinc/35/84/27/999358427.db2.gz IAGCTKRKRZZZQE-IUCAKERBSA-N -2 3 349.811 2.892 20 0 EFADHL Cc1c(NC(=O)c2cccc(Cl)c2[O-])cccc1-c1nnn[n-]1 ZINC001580559924 1090949131 /nfs/dbraw/zinc/94/91/31/1090949131.db2.gz NVQMYZUOVYBDHO-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL Cc1c(NC(=O)c2cccc(Cl)c2[O-])cccc1-c1nn[n-]n1 ZINC001580559924 1090949136 /nfs/dbraw/zinc/94/91/36/1090949136.db2.gz NVQMYZUOVYBDHO-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL O=C([N-]c1c(F)cc(Cl)cc1F)c1ccc(-c2nn[n-]n2)o1 ZINC001582631723 1091587291 /nfs/dbraw/zinc/58/72/91/1091587291.db2.gz NKFUBXJTPBELPN-UHFFFAOYSA-N -2 3 325.662 2.644 20 0 EFADHL O=C(c1ccc(-c2nn[n-]n2)c([O-])c1)N(c1ccccc1)C1CCC1 ZINC001582700429 1091633593 /nfs/dbraw/zinc/63/35/93/1091633593.db2.gz SOHSZTGZTDHUHQ-UHFFFAOYSA-N -2 3 335.367 2.772 20 0 EFADHL CC(C)(C(=O)[N-]OC1CCCCC1)c1cc(F)cc(-c2nnn[n-]2)c1 ZINC001589054793 1093023003 /nfs/dbraw/zinc/02/30/03/1093023003.db2.gz PUWWPPWNBAAMTL-UHFFFAOYSA-N -2 3 347.394 2.664 20 0 EFADHL CC(C)(C(=O)[N-]OC1CCCCC1)c1cc(F)cc(-c2nn[n-]n2)c1 ZINC001589054793 1093023008 /nfs/dbraw/zinc/02/30/08/1093023008.db2.gz PUWWPPWNBAAMTL-UHFFFAOYSA-N -2 3 347.394 2.664 20 0 EFADHL CC(C)[C@H](CNc1cccc(C(F)F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001589460972 1093087030 /nfs/dbraw/zinc/08/70/30/1093087030.db2.gz ULYHTPGDWFQORJ-VIFPVBQESA-N -2 3 325.319 2.573 20 0 EFADHL CC(C)[C@H](CNc1cccc(C(F)F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001589460972 1093087036 /nfs/dbraw/zinc/08/70/36/1093087036.db2.gz ULYHTPGDWFQORJ-VIFPVBQESA-N -2 3 325.319 2.573 20 0 EFADHL CC(C)[C@@H](CNc1cccc(C(F)F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001589460971 1093088167 /nfs/dbraw/zinc/08/81/67/1093088167.db2.gz ULYHTPGDWFQORJ-SECBINFHSA-N -2 3 325.319 2.573 20 0 EFADHL CC(C)[C@@H](CNc1cccc(C(F)F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001589460971 1093088176 /nfs/dbraw/zinc/08/81/76/1093088176.db2.gz ULYHTPGDWFQORJ-SECBINFHSA-N -2 3 325.319 2.573 20 0 EFADHL C[C@@H](OC(=O)c1c(F)cc([O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001590012339 1093220452 /nfs/dbraw/zinc/22/04/52/1093220452.db2.gz ZULFSDHSNCVPBY-MRVPVSSYSA-N -2 3 346.293 2.769 20 0 EFADHL CC(=O)c1ccc(C(=O)N2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@H]2C)cc1[O-] ZINC001650505316 1093336044 /nfs/dbraw/zinc/33/60/44/1093336044.db2.gz GRHLNLQTPXPBMI-CVXDLRIPSA-N -2 3 333.384 2.555 20 0 EFADHL C[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c2ccccc21 ZINC001590270100 1093353976 /nfs/dbraw/zinc/35/39/76/1093353976.db2.gz MRRSWBBQGLVJEE-NSHDSACASA-N -2 3 335.367 2.726 20 0 EFADHL CCC(CC)(CNc1cc(-c2nnn[n-]2)c2ccccc2n1)C(=O)[O-] ZINC001590428498 1093417359 /nfs/dbraw/zinc/41/73/59/1093417359.db2.gz GHLPRQGJFAWKSN-UHFFFAOYSA-N -2 3 340.387 2.718 20 0 EFADHL CCC(CC)(CNc1cc(-c2nn[n-]n2)c2ccccc2n1)C(=O)[O-] ZINC001590428498 1093417362 /nfs/dbraw/zinc/41/73/62/1093417362.db2.gz GHLPRQGJFAWKSN-UHFFFAOYSA-N -2 3 340.387 2.718 20 0 EFADHL CN(C(=O)c1cccc(F)c1[O-])c1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC001590994643 1093650037 /nfs/dbraw/zinc/65/00/37/1093650037.db2.gz BVFHGFKCJYQDFX-UHFFFAOYSA-N -2 3 347.737 2.641 20 0 EFADHL CN(C(=O)c1cccc(F)c1[O-])c1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC001590994643 1093650040 /nfs/dbraw/zinc/65/00/40/1093650040.db2.gz BVFHGFKCJYQDFX-UHFFFAOYSA-N -2 3 347.737 2.641 20 0 EFADHL CO[C@@H](C)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001591325084 1093692601 /nfs/dbraw/zinc/69/26/01/1093692601.db2.gz VCPIODQMERSAHQ-JTQLQIEISA-N -2 3 339.355 2.532 20 0 EFADHL CSc1cccc(N(C)C(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001591715997 1093841559 /nfs/dbraw/zinc/84/15/59/1093841559.db2.gz KCZUMJCGMBXEGO-UHFFFAOYSA-N -2 3 341.396 2.571 20 0 EFADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)[C@](C)(CC(=O)[O-])CC(C)C ZINC001592104160 1093982519 /nfs/dbraw/zinc/98/25/19/1093982519.db2.gz NKOIILRKSROLPH-KRWDZBQOSA-N -2 3 345.403 2.641 20 0 EFADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)[C@](C)(CC(=O)[O-])CC(C)C ZINC001592104160 1093982521 /nfs/dbraw/zinc/98/25/21/1093982521.db2.gz NKOIILRKSROLPH-KRWDZBQOSA-N -2 3 345.403 2.641 20 0 EFADHL Cc1sc(C=Cc2cccc(F)c2-c2nnn[n-]2)nc1C(=O)[O-] ZINC001592518144 1094118003 /nfs/dbraw/zinc/11/80/03/1094118003.db2.gz LQCTYHDODSEIDC-WAYWQWQTSA-N -2 3 331.332 2.639 20 0 EFADHL Cc1sc(C=Cc2cccc(F)c2-c2nn[n-]n2)nc1C(=O)[O-] ZINC001592518144 1094118007 /nfs/dbraw/zinc/11/80/07/1094118007.db2.gz LQCTYHDODSEIDC-WAYWQWQTSA-N -2 3 331.332 2.639 20 0 EFADHL O=C(Cc1cccc2ccccc21)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001592921902 1094206886 /nfs/dbraw/zinc/20/68/86/1094206886.db2.gz ARMFDDYYFIAJFU-UHFFFAOYSA-N -2 3 345.362 2.673 20 0 EFADHL O=C(Cc1cccc2ccccc21)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001592921902 1094206892 /nfs/dbraw/zinc/20/68/92/1094206892.db2.gz ARMFDDYYFIAJFU-UHFFFAOYSA-N -2 3 345.362 2.673 20 0 EFADHL O=C(Nc1cc(F)cc(-c2nnn[n-]2)c1)c1cccc(Cl)c1[O-] ZINC001593207732 1094238086 /nfs/dbraw/zinc/23/80/86/1094238086.db2.gz RQCLZSVFQWLFTM-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1cc(F)cc(-c2nn[n-]n2)c1)c1cccc(Cl)c1[O-] ZINC001593207732 1094238090 /nfs/dbraw/zinc/23/80/90/1094238090.db2.gz RQCLZSVFQWLFTM-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1nc(C2CCC2)cs1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593263137 1094258239 /nfs/dbraw/zinc/25/82/39/1094258239.db2.gz FHQURMSNZJNXFI-UHFFFAOYSA-N -2 3 342.384 2.549 20 0 EFADHL O=C([O-])CCC1CCN(c2c(Cl)cccc2-c2nnn[n-]2)CC1 ZINC001593277557 1094262335 /nfs/dbraw/zinc/26/23/35/1094262335.db2.gz CNTSIBUBWFQAJY-UHFFFAOYSA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CCC1CCN(c2c(Cl)cccc2-c2nn[n-]n2)CC1 ZINC001593277557 1094262338 /nfs/dbraw/zinc/26/23/38/1094262338.db2.gz CNTSIBUBWFQAJY-UHFFFAOYSA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cc(F)c(F)c(F)c2)n1 ZINC001593282705 1094264570 /nfs/dbraw/zinc/26/45/70/1094264570.db2.gz BZORKAIYDNPINA-HNQUOIGGSA-N -2 3 347.256 2.548 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cc(F)c(F)c(F)c2)n1 ZINC001593282705 1094264575 /nfs/dbraw/zinc/26/45/75/1094264575.db2.gz BZORKAIYDNPINA-HNQUOIGGSA-N -2 3 347.256 2.548 20 0 EFADHL O=C([O-])c1ccc2oc(C=Cc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC001593282694 1094264959 /nfs/dbraw/zinc/26/49/59/1094264959.db2.gz BOZPCDVJRAUFOJ-QPJJXVBHSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc2oc(C=Cc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC001593282694 1094264964 /nfs/dbraw/zinc/26/49/64/1094264964.db2.gz BOZPCDVJRAUFOJ-QPJJXVBHSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc2oc(C=Cc3cc(-c4nnn[n-]4)cs3)nc2c1 ZINC001593283355 1094265191 /nfs/dbraw/zinc/26/51/91/1094265191.db2.gz ONWOJGQRRWJVOK-DUXPYHPUSA-N -2 3 339.336 2.938 20 0 EFADHL O=C([O-])c1ccc2oc(C=Cc3cc(-c4nn[n-]n4)cs3)nc2c1 ZINC001593283355 1094265198 /nfs/dbraw/zinc/26/51/98/1094265198.db2.gz ONWOJGQRRWJVOK-DUXPYHPUSA-N -2 3 339.336 2.938 20 0 EFADHL O=C([O-])c1cccc2oc(C=Cc3cccc(-c4nnn[n-]4)c3)nc21 ZINC001593283422 1094265400 /nfs/dbraw/zinc/26/54/00/1094265400.db2.gz RPZXPMXETDUWFW-BQYQJAHWSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1cccc2oc(C=Cc3cccc(-c4nn[n-]n4)c3)nc21 ZINC001593283422 1094265404 /nfs/dbraw/zinc/26/54/04/1094265404.db2.gz RPZXPMXETDUWFW-BQYQJAHWSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2cc(Cl)cs2)n1 ZINC001593282886 1094265792 /nfs/dbraw/zinc/26/57/92/1094265792.db2.gz GHVYITHNOPJUPC-IWQZZHSRSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2cc(Cl)cs2)n1 ZINC001593282886 1094265799 /nfs/dbraw/zinc/26/57/99/1094265799.db2.gz GHVYITHNOPJUPC-IWQZZHSRSA-N -2 3 333.760 2.845 20 0 EFADHL O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1ccc([O-])c(Cl)c1 ZINC001593295288 1094271595 /nfs/dbraw/zinc/27/15/95/1094271595.db2.gz JHDSZSRFGFABCD-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1ccc([O-])c(Cl)c1 ZINC001593295288 1094271599 /nfs/dbraw/zinc/27/15/99/1094271599.db2.gz JHDSZSRFGFABCD-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(c1ccc(-c2nn[n-]n2)c([O-])c1)N(CC1CC1)c1ccccc1 ZINC001593335620 1094289323 /nfs/dbraw/zinc/28/93/23/1094289323.db2.gz QXIFXAVEGSUBCM-UHFFFAOYSA-N -2 3 335.367 2.629 20 0 EFADHL O=S(=O)([N-]c1ccc(C2CC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC001593445207 1094309180 /nfs/dbraw/zinc/30/91/80/1094309180.db2.gz CPAJGLDQTOWICT-UHFFFAOYSA-N -2 3 347.425 2.606 20 0 EFADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(C)c(F)c1F ZINC001595056823 1094451948 /nfs/dbraw/zinc/45/19/48/1094451948.db2.gz CCQMVNSQVGDNIL-UHFFFAOYSA-N -2 3 335.372 2.585 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC001600123086 1094785433 /nfs/dbraw/zinc/78/54/33/1094785433.db2.gz YLRWUIDSTDPQSA-UHFFFAOYSA-N -2 3 327.262 2.820 20 0 EFADHL Cc1cc([C@H](C)OC(=O)c2cc(F)cc3[n-]nnc32)oc1C(=O)[O-] ZINC001600140393 1094797522 /nfs/dbraw/zinc/79/75/22/1094797522.db2.gz BGJXIUNQFBVOPD-ZETCQYMHSA-N -2 3 333.275 2.615 20 0 EFADHL Cc1cc([C@H](C)OC(=O)c2cc(F)cc3nn[n-]c32)oc1C(=O)[O-] ZINC001600140393 1094797534 /nfs/dbraw/zinc/79/75/34/1094797534.db2.gz BGJXIUNQFBVOPD-ZETCQYMHSA-N -2 3 333.275 2.615 20 0 EFADHL Cc1cc([C@H](C)OC(=O)c2cc(F)cc3n[n-]nc32)oc1C(=O)[O-] ZINC001600140393 1094797544 /nfs/dbraw/zinc/79/75/44/1094797544.db2.gz BGJXIUNQFBVOPD-ZETCQYMHSA-N -2 3 333.275 2.615 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001600158768 1094821792 /nfs/dbraw/zinc/82/17/92/1094821792.db2.gz LDMZLZFUNWMMPI-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1cc(CCC(=O)[N-]OCCCC(=O)[O-])ccc1Br ZINC001600188384 1094855578 /nfs/dbraw/zinc/85/55/78/1094855578.db2.gz MGOTYDDRHKBIJU-UHFFFAOYSA-N -2 3 344.205 2.603 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)oc1C(=O)[O-] ZINC001600300109 1094953437 /nfs/dbraw/zinc/95/34/37/1094953437.db2.gz AJFSBQMAPYWFSZ-UHFFFAOYSA-N -2 3 345.323 2.702 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCC(C)(C)C[C@H]2C)oc1C(=O)[O-] ZINC001600298170 1094953713 /nfs/dbraw/zinc/95/37/13/1094953713.db2.gz AJIVLBZCWZWIPG-MNOVXSKESA-N -2 3 329.418 2.779 20 0 EFADHL Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c([O-])c1C ZINC001600344924 1094988246 /nfs/dbraw/zinc/98/82/46/1094988246.db2.gz PCCOQMPXJAOZNO-SNVBAGLBSA-N -2 3 346.408 2.907 20 0 EFADHL Cc1sc([C@H]2CCCN2Cc2nc(C)ccc2[O-])nc1C(=O)[O-] ZINC001600464411 1095086340 /nfs/dbraw/zinc/08/63/40/1095086340.db2.gz BNVHVILDJUYZFK-GFCCVEGCSA-N -2 3 333.413 2.896 20 0 EFADHL Cc1ccc2oc(C[N-]S(=O)(=O)c3ccc(C(=O)[O-])o3)cc2c1 ZINC001600504806 1095117764 /nfs/dbraw/zinc/11/77/64/1095117764.db2.gz ILSQKLKWRDKGQY-UHFFFAOYSA-N -2 3 335.337 2.511 20 0 EFADHL Cc1nc(NC(=O)c2c[n-]c3ccc(C)cc3c2=O)sc1C(=O)[O-] ZINC001600503457 1095118505 /nfs/dbraw/zinc/11/85/05/1095118505.db2.gz KDYKLWPTHGVASJ-UHFFFAOYSA-N -2 3 343.364 2.552 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1Cl ZINC001600542786 1095149533 /nfs/dbraw/zinc/14/95/33/1095149533.db2.gz OQRKIEKIBBUIPI-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL Cc1cccc([O-])c1C(=O)N1CC[C@](C(=O)[O-])(c2ccccc2)C1 ZINC001600542826 1095149612 /nfs/dbraw/zinc/14/96/12/1095149612.db2.gz RIIOVMLVGDZNKZ-LJQANCHMSA-N -2 3 325.364 2.569 20 0 EFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1Cl ZINC001600837203 1095369681 /nfs/dbraw/zinc/36/96/81/1095369681.db2.gz INSOFRCSIRNSCV-UHFFFAOYSA-N -2 3 333.724 2.880 20 0 EFADHL Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1ccc(O)cc1[O-] ZINC001600910292 1095422375 /nfs/dbraw/zinc/42/23/75/1095422375.db2.gz GDHQBKMLJQNNAP-AWEZNQCLSA-N -2 3 344.367 2.502 20 0 EFADHL O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC001601405858 1095661055 /nfs/dbraw/zinc/66/10/55/1095661055.db2.gz FTGUWBMDFACHCV-MRVPVSSYSA-N -2 3 345.195 2.546 20 0 EFADHL O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2cc(=O)[n-]c(C3CC3)n2)cc1 ZINC001601610536 1095761855 /nfs/dbraw/zinc/76/18/55/1095761855.db2.gz POBFNRLVSFKKSA-QWHCGFSZSA-N -2 3 339.351 2.500 20 0 EFADHL O=C([O-])c1nc(C(=O)[N-]c2nc(Cc3ccccc3)ns2)cs1 ZINC001601633606 1095775922 /nfs/dbraw/zinc/77/59/22/1095775922.db2.gz YBXVARKTPLMJQI-UHFFFAOYSA-N -2 3 346.393 2.536 20 0 EFADHL O=C([O-])[C@H](C[C@H]1CCCc2ccccc21)[N-]C(=O)C(F)(F)C(F)F ZINC001601642174 1095781242 /nfs/dbraw/zinc/78/12/42/1095781242.db2.gz OGRWZNOLDDCAPX-PWSUYJOCSA-N -2 3 347.308 2.966 20 0 EFADHL O=C([O-])C1(CS(=O)(=O)[N-]c2ccc(Cl)cc2F)CCCC1 ZINC001601715748 1095861582 /nfs/dbraw/zinc/86/15/82/1095861582.db2.gz CLNHLMLXQALGTD-UHFFFAOYSA-N -2 3 335.784 2.866 20 0 EFADHL O=C([O-])C12CCC(CC1)N2Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001601732978 1095874125 /nfs/dbraw/zinc/87/41/25/1095874125.db2.gz AWMYFMUGPXNRMU-UHFFFAOYSA-N -2 3 349.770 2.734 20 0 EFADHL O=C([O-])CCCCC(=O)OCc1cc(=O)[n-]c(-c2ccccc2)n1 ZINC001601982531 1096005325 /nfs/dbraw/zinc/00/53/25/1096005325.db2.gz VOMPFHUQUFLNHT-UHFFFAOYSA-N -2 3 330.340 2.537 20 0 EFADHL O=C([O-])CCSCCNC(=O)c1cc2sccc2c([O-])c1 ZINC001602029187 1096025781 /nfs/dbraw/zinc/02/57/81/1096025781.db2.gz NWCXTCGFVFSJJM-UHFFFAOYSA-N -2 3 325.411 2.545 20 0 EFADHL O=C([O-])[C@@H]1CC(F)(F)CN1C(=O)c1cc2sccc2c([O-])c1 ZINC001602172126 1096101434 /nfs/dbraw/zinc/10/14/34/1096101434.db2.gz LLYDPJAOGSUGIQ-VIFPVBQESA-N -2 3 327.308 2.541 20 0 EFADHL O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CN(Cc2c(F)ccc([O-])c2F)C1 ZINC001602219067 1096124444 /nfs/dbraw/zinc/12/44/44/1096124444.db2.gz KOEYMFDZMUJVPY-JGVFFNPUSA-N -2 3 339.260 2.755 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]CC2=CCCC2)c1F ZINC001602266594 1096150150 /nfs/dbraw/zinc/15/01/50/1096150150.db2.gz KFPUBNYAVAHDBJ-UHFFFAOYSA-N -2 3 333.768 2.566 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]C(=O)c2noc(-c3ccc(F)cc3)n2)c1 ZINC001602365473 1096207400 /nfs/dbraw/zinc/20/74/00/1096207400.db2.gz IYTUDVKYKJTZFN-UHFFFAOYSA-N -2 3 345.261 2.965 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)o1 ZINC001602396896 1096221780 /nfs/dbraw/zinc/22/17/80/1096221780.db2.gz CPYGDAJATANKBY-ZIAGYGMSSA-N -2 3 349.408 2.983 20 0 EFADHL O=C([O-])c1cccc(-c2noc(-c3cc4c(cc3[O-])OCO4)n2)c1 ZINC001602430672 1096240680 /nfs/dbraw/zinc/24/06/80/1096240680.db2.gz PUPZICAVFGZVAZ-UHFFFAOYSA-N -2 3 326.264 2.536 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001602488395 1096270357 /nfs/dbraw/zinc/27/03/57/1096270357.db2.gz GPYDSTQGQFVZEO-IJLUTSLNSA-N -2 3 327.402 2.615 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCc3ccc(Cl)cc32)c1 ZINC001602555848 1096296537 /nfs/dbraw/zinc/29/65/37/1096296537.db2.gz AJBNKWZBMITPPI-GFCCVEGCSA-N -2 3 341.772 2.597 20 0 EFADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@H]1CCCCC12CCCC2 ZINC001602587470 1096308234 /nfs/dbraw/zinc/30/82/34/1096308234.db2.gz UGCWXYHHUHYXOQ-NSHDSACASA-N -2 3 344.458 2.623 20 0 EFADHL O=C([O-])c1nsc([N-]C(=O)c2ccc(-c3ccc(F)cc3)o2)n1 ZINC001602586875 1096308310 /nfs/dbraw/zinc/30/83/10/1096308310.db2.gz MUMSLZSJPHJNNQ-UHFFFAOYSA-N -2 3 333.300 2.888 20 0 EFADHL CC(=Cc1cscc1Cl)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602906524 1096398082 /nfs/dbraw/zinc/39/80/82/1096398082.db2.gz NIJDUHZFPNTALA-UTCJRWHESA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1cscc1Cl)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602906524 1096398086 /nfs/dbraw/zinc/39/80/86/1096398086.db2.gz NIJDUHZFPNTALA-UTCJRWHESA-N -2 3 334.792 2.946 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@H](CCC(=O)[O-])c2ccccc2)cc1[O-] ZINC001603108971 1096445740 /nfs/dbraw/zinc/44/57/40/1096445740.db2.gz QVLHPVCDYARLJV-MRXNPFEDSA-N -2 3 341.363 2.931 20 0 EFADHL CC(=O)c1ccc(C(=O)NC[C@H](CC2CCCC2)C(=O)[O-])cc1[O-] ZINC001603108817 1096445884 /nfs/dbraw/zinc/44/58/84/1096445884.db2.gz HXXBXZDMJGVQSE-AWEZNQCLSA-N -2 3 333.384 2.606 20 0 EFADHL C[C@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001603187592 1096469219 /nfs/dbraw/zinc/46/92/19/1096469219.db2.gz LHIUZLFRXVGCPJ-APPDUMDISA-N -2 3 331.343 2.652 20 0 EFADHL CC(C)(CS(=O)(=O)[N-]c1cc(C(F)F)ccc1F)C(=O)[O-] ZINC001603659892 1096583923 /nfs/dbraw/zinc/58/39/23/1096583923.db2.gz LTXCOTJEHCHJEG-UHFFFAOYSA-N -2 3 325.308 2.616 20 0 EFADHL CC(C)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001603728571 1096604800 /nfs/dbraw/zinc/60/48/00/1096604800.db2.gz DRBJTPXGIFXRDZ-CYBMUJFWSA-N -2 3 337.397 2.523 20 0 EFADHL CC(C)CC(CC(C)C)[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001603770527 1096620891 /nfs/dbraw/zinc/62/08/91/1096620891.db2.gz ZBIULRLSXMYEIC-UHFFFAOYSA-N -2 3 334.463 2.580 20 0 EFADHL CC(C)Cn1ncc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1C(C)C ZINC001603863147 1096647649 /nfs/dbraw/zinc/64/76/49/1096647649.db2.gz MVSFXZLOEOSYIA-UHFFFAOYSA-N -2 3 345.465 2.515 20 0 EFADHL CC(C)OC[C@H](C(=O)[O-])N(C)C(=O)c1cc2sccc2c([O-])c1 ZINC001603917256 1096670095 /nfs/dbraw/zinc/67/00/95/1096670095.db2.gz PWVHXJUGJAJRIM-GFCCVEGCSA-N -2 3 337.397 2.557 20 0 EFADHL CC(C)[C@@H]1C[C@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001603967366 1096684643 /nfs/dbraw/zinc/68/46/43/1096684643.db2.gz QQMHUAGBZXSRAZ-WPRPVWTQSA-N -2 3 349.811 2.748 20 0 EFADHL CC(C)c1ccc(C(=O)NC[C@@H](Oc2ccccc2)C(=O)[O-])c([O-])c1 ZINC001603996972 1096690875 /nfs/dbraw/zinc/69/08/75/1096690875.db2.gz QJHCEGUNLNVYCI-QGZVFWFLSA-N -2 3 343.379 2.778 20 0 EFADHL C[C@@H](Cc1ccc(NC(=O)c2nc[n-]c2C(F)(F)F)cc1)C(=O)[O-] ZINC001604228866 1096780513 /nfs/dbraw/zinc/78/05/13/1096780513.db2.gz NFBZSMUTXGJFFV-QMMMGPOBSA-N -2 3 341.289 2.944 20 0 EFADHL CCc1ccc(CC)c(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001604523295 1096891664 /nfs/dbraw/zinc/89/16/64/1096891664.db2.gz FHHFZIMSKKDPLN-UHFFFAOYSA-N -2 3 337.383 2.949 20 0 EFADHL CC[C@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c2ccccc12)OC ZINC001605054618 1097011205 /nfs/dbraw/zinc/01/12/05/1097011205.db2.gz KPDGKNPCGOHUPU-LLVKDONJSA-N -2 3 337.397 2.705 20 0 EFADHL CC[C@@](NC(=O)c1ccc(O)cc1[O-])(C(=O)[O-])c1ccc(Cl)cc1 ZINC001605085484 1097018727 /nfs/dbraw/zinc/01/87/27/1097018727.db2.gz AUMAWIXSJOYELC-KRWDZBQOSA-N -2 3 349.770 2.871 20 0 EFADHL COc1ccc(-c2ccc3c(c2)C[C@H]2[C@@H]3[C@H]2C(=O)[O-])c(-c2nnn[n-]2)c1 ZINC001605239530 1097065908 /nfs/dbraw/zinc/06/59/08/1097065908.db2.gz CJPGOAVBLQZHCK-BBWFWOEESA-N -2 3 348.362 2.513 20 0 EFADHL COc1ccc(-c2ccc3c(c2)C[C@H]2[C@@H]3[C@H]2C(=O)[O-])c(-c2nn[n-]n2)c1 ZINC001605239530 1097065914 /nfs/dbraw/zinc/06/59/14/1097065914.db2.gz CJPGOAVBLQZHCK-BBWFWOEESA-N -2 3 348.362 2.513 20 0 EFADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(F)cc1F)C(=O)[O-] ZINC001605260075 1097072114 /nfs/dbraw/zinc/07/21/14/1097072114.db2.gz HNOANHQSQDJVDR-GFCCVEGCSA-N -2 3 335.372 2.585 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c([O-])c1 ZINC001605570670 1097160844 /nfs/dbraw/zinc/16/08/44/1097160844.db2.gz FALOFQOIAKFUKU-YVMONPNESA-N -2 3 345.307 2.512 20 0 EFADHL CCOc1cc(CNc2cnn(CC(=O)[O-])c2C)cc(Cl)c1[O-] ZINC001605671127 1097188115 /nfs/dbraw/zinc/18/81/15/1097188115.db2.gz JIDFVPFFCWLRNI-UHFFFAOYSA-N -2 3 339.779 2.646 20 0 EFADHL CCc1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2OC)c([O-])c1 ZINC001605804839 1097232945 /nfs/dbraw/zinc/23/29/45/1097232945.db2.gz NGWLWMCRHVTSEG-UHFFFAOYSA-N -2 3 343.379 2.634 20 0 EFADHL CCc1ccccc1S(=O)(=O)[N-]c1ccc(OCC(=O)[O-])cc1 ZINC001605837094 1097245477 /nfs/dbraw/zinc/24/54/77/1097245477.db2.gz WKJOBHSLNQKIRH-UHFFFAOYSA-N -2 3 335.381 2.513 20 0 EFADHL CCc1noc(C)c1C(=O)[N-]c1cccnc1SCCC(=O)[O-] ZINC001605873134 1097261625 /nfs/dbraw/zinc/26/16/25/1097261625.db2.gz ICIHPNNFHMJHNS-UHFFFAOYSA-N -2 3 335.385 2.760 20 0 EFADHL O=P([O-])([O-])C1(Nc2cc3[nH]cnc3cc2F)Cc2ccccc2C1 ZINC001167938392 1097378385 /nfs/dbraw/zinc/37/83/85/1097378385.db2.gz IYDPNFDQLPXBQH-UHFFFAOYSA-N -2 3 347.286 2.787 20 0 EFADHL COC(=O)c1cnc(S[C@H](C(=O)[O-])c2c(F)cccc2Cl)[n-]1 ZINC001606533024 1097415398 /nfs/dbraw/zinc/41/53/98/1097415398.db2.gz YOPKWIVLVXIQMO-JTQLQIEISA-N -2 3 344.751 2.907 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001606958550 1097481449 /nfs/dbraw/zinc/48/14/49/1097481449.db2.gz XGSJHUBCTFOMNS-KCJUWKMLSA-N -2 3 341.293 2.551 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001606958550 1097481452 /nfs/dbraw/zinc/48/14/52/1097481452.db2.gz XGSJHUBCTFOMNS-KCJUWKMLSA-N -2 3 341.293 2.551 20 0 EFADHL COc1cc(NC(=O)c2ccc(C)c(C)c2[O-])c(C(=O)[O-])cc1OC ZINC001607179350 1097553255 /nfs/dbraw/zinc/55/32/55/1097553255.db2.gz ZOOGMROSIDHAOJ-UHFFFAOYSA-N -2 3 345.351 2.977 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2ccc(O[C@H](C)C(=O)[O-])c(F)c2)c1 ZINC001607277169 1097582689 /nfs/dbraw/zinc/58/26/89/1097582689.db2.gz WSSAQZJHKUUVGV-SECBINFHSA-N -2 3 349.314 2.644 20 0 EFADHL COc1ccc2c(c1)[n-]cc(C(=O)Nc1cc(C(=O)[O-])cs1)c2=O ZINC001607293125 1097586361 /nfs/dbraw/zinc/58/63/61/1097586361.db2.gz OHJFTMRXQSAOLR-UHFFFAOYSA-N -2 3 344.348 2.549 20 0 EFADHL CSc1ccc([O-])c(C(=O)NC[C@@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001607410264 1097622354 /nfs/dbraw/zinc/62/23/54/1097622354.db2.gz TYVGTXTYLODCIC-CQSZACIVSA-N -2 3 349.383 2.851 20 0 EFADHL CSc1ccc([O-])c(C(=O)N2C[C@H]3CCCC[C@@]3(C(=O)[O-])C2)c1 ZINC001607410379 1097622886 /nfs/dbraw/zinc/62/28/86/1097622886.db2.gz WZFQTGVTGGBZFB-PIGZYNQJSA-N -2 3 335.425 2.831 20 0 EFADHL Cc1cc([C@@H](C)Sc2nc3c(cnn3C)c(=O)[n-]2)oc1C(=O)[O-] ZINC001607610004 1097674984 /nfs/dbraw/zinc/67/49/84/1097674984.db2.gz AYHYGMOZPLJSQX-SSDOTTSWSA-N -2 3 334.357 2.522 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@@H]3C2)oc1C(=O)[O-] ZINC001607706482 1097703875 /nfs/dbraw/zinc/70/38/75/1097703875.db2.gz URPAWDZDGBPQRH-QJPTWQEYSA-N -2 3 327.402 2.533 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])C2CCCC2)c(F)cc1F ZINC001607705011 1097704148 /nfs/dbraw/zinc/70/41/48/1097704148.db2.gz BBDIDYVGUUZFQT-ZDUSSCGKSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1ccc(C(=O)Nc2nc3c(cccc3C(=O)[O-])[nH]2)c([O-])c1C ZINC001607734146 1097712685 /nfs/dbraw/zinc/71/26/85/1097712685.db2.gz GHHWZPXNNBTYTO-UHFFFAOYSA-N -2 3 325.324 2.836 20 0 EFADHL Cc1ccc(CS(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)c(F)c1 ZINC001607786493 1097732985 /nfs/dbraw/zinc/73/29/85/1097732985.db2.gz ZLWLMUSABVTXCS-UHFFFAOYSA-N -2 3 341.335 2.913 20 0 EFADHL Cc1cccc(C(=O)Nc2nc3c(s2)CC[C@@H](C(=O)[O-])C3)c1[O-] ZINC001607840132 1097749621 /nfs/dbraw/zinc/74/96/21/1097749621.db2.gz SZRRYMQEAZBNMU-SECBINFHSA-N -2 3 332.381 2.599 20 0 EFADHL Cc1cccc([O-])c1C(=O)N1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001607858019 1097756291 /nfs/dbraw/zinc/75/62/91/1097756291.db2.gz AYJKVPUKBPGAED-UHFFFAOYSA-N -2 3 346.408 2.875 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(C(F)F)cc2)cc1C(=O)[O-] ZINC001608056869 1097819648 /nfs/dbraw/zinc/81/96/48/1097819648.db2.gz RWUYFWADJUTCKM-UHFFFAOYSA-N -2 3 345.323 2.702 20 0 EFADHL Cc1sc(C)c(C(=O)[O-])c1NC(=O)c1cc2c(cc1[O-])OCO2 ZINC001608067595 1097824003 /nfs/dbraw/zinc/82/40/03/1097824003.db2.gz LHTSPYJLNFNSJP-UHFFFAOYSA-N -2 3 335.337 2.750 20 0 EFADHL O=C([O-])[C@@H](CC(F)F)NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001608390676 1097909158 /nfs/dbraw/zinc/90/91/58/1097909158.db2.gz UNXSRJRVBHZZKE-CQSZACIVSA-N -2 3 349.333 2.821 20 0 EFADHL O=C([O-])C1(CNC(=O)c2c[n-]c3c(Cl)cccc3c2=O)CCCC1 ZINC001608427267 1097918939 /nfs/dbraw/zinc/91/89/39/1097918939.db2.gz FHJFLQPXOVOFLG-UHFFFAOYSA-N -2 3 348.786 2.556 20 0 EFADHL O=C([O-])C1(CCCCNC(=O)NCc2ccc([O-])c(F)c2)CCC1 ZINC001608442426 1097922136 /nfs/dbraw/zinc/92/21/36/1097922136.db2.gz GZZZSRATNKWEER-UHFFFAOYSA-N -2 3 338.379 2.756 20 0 EFADHL O=C([O-])CC1(COC(=O)c2cccc(Br)c2[O-])CC1 ZINC001608680877 1097988740 /nfs/dbraw/zinc/98/87/40/1097988740.db2.gz WVKNVVIHKAJUOB-UHFFFAOYSA-N -2 3 329.146 2.566 20 0 EFADHL O=C([O-])CCCO[N-]C(=O)CCCCc1nc2ccccc2s1 ZINC001608716017 1097999727 /nfs/dbraw/zinc/99/97/27/1097999727.db2.gz QVVBPYQVTTWZJY-UHFFFAOYSA-N -2 3 336.413 2.922 20 0 EFADHL O=C([O-])CCN(CC(=O)[O-])Cc1cc(C(F)(F)F)ccc1Cl ZINC001608720884 1098000911 /nfs/dbraw/zinc/00/09/11/1098000911.db2.gz KPTHFBOBHWQZMJ-UHFFFAOYSA-N -2 3 339.697 2.720 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3C[C@H]3C2)c(F)cc1Cl ZINC001608860300 1098047914 /nfs/dbraw/zinc/04/79/14/1098047914.db2.gz DOSVXENHVHHXPC-XHNCKOQMSA-N -2 3 347.795 2.644 20 0 EFADHL O=C([O-])c1cnc(C2CCN(Cc3cccc(C(=O)[O-])c3)CC2)s1 ZINC001608930835 1098078757 /nfs/dbraw/zinc/07/87/57/1098078757.db2.gz GNJIWPRKGWGUFV-UHFFFAOYSA-N -2 3 346.408 2.919 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCC[C@H](c2ccccc2)C1 ZINC001608956370 1098090314 /nfs/dbraw/zinc/09/03/14/1098090314.db2.gz QQTGHYSYRYIFBT-KBPBESRZSA-N -2 3 349.408 2.983 20 0 EFADHL O=C([O-])c1cnoc1COC(=O)c1cc2cc(Cl)sc2[n-]1 ZINC001609025614 1098116183 /nfs/dbraw/zinc/11/61/83/1098116183.db2.gz LDNMQSWOQFJOIU-UHFFFAOYSA-N -2 3 326.717 2.926 20 0 EFADHL CC(C)(C)c1ccc(-c2nnn[n-]2)c(NC(C)(C)CCC(=O)[O-])n1 ZINC001609083178 1098135486 /nfs/dbraw/zinc/13/54/86/1098135486.db2.gz YWZKCQCSUYMLLZ-UHFFFAOYSA-N -2 3 332.408 2.615 20 0 EFADHL CC(C)(C)c1ccc(-c2nn[n-]n2)c(NC(C)(C)CCC(=O)[O-])n1 ZINC001609083178 1098135489 /nfs/dbraw/zinc/13/54/89/1098135489.db2.gz YWZKCQCSUYMLLZ-UHFFFAOYSA-N -2 3 332.408 2.615 20 0 EFADHL CC(C)(CCC(=O)[O-])Nc1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC001609083192 1098137012 /nfs/dbraw/zinc/13/70/12/1098137012.db2.gz ZIAMJQOYCKMFHU-UHFFFAOYSA-N -2 3 343.309 2.941 20 0 EFADHL CC(C)(CCC(=O)[O-])Nc1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC001609083192 1098137015 /nfs/dbraw/zinc/13/70/15/1098137015.db2.gz ZIAMJQOYCKMFHU-UHFFFAOYSA-N -2 3 343.309 2.941 20 0 EFADHL CCCc1ccccc1[N-]S(=O)(=O)c1ccccc1-c1nn[n-]n1 ZINC001609217824 1098207801 /nfs/dbraw/zinc/20/78/01/1098207801.db2.gz QEZUQRKGJVZNMT-UHFFFAOYSA-N -2 3 343.412 2.620 20 0 EFADHL CCN(C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1)c1cccc(Cl)c1 ZINC001609220299 1098210247 /nfs/dbraw/zinc/21/02/47/1098210247.db2.gz OCVPUWZGZIVDFX-UHFFFAOYSA-N -2 3 343.774 2.892 20 0 EFADHL Cc1sc(C=Cc2ccc(-c3nnn[n-]3)c(C)c2)nc1C(=O)[O-] ZINC001609400033 1098290408 /nfs/dbraw/zinc/29/04/08/1098290408.db2.gz ZXMMOFYJRDRRTE-XQRVVYSFSA-N -2 3 327.369 2.809 20 0 EFADHL Cc1sc(C=Cc2ccc(-c3nn[n-]n3)c(C)c2)nc1C(=O)[O-] ZINC001609400033 1098290413 /nfs/dbraw/zinc/29/04/13/1098290413.db2.gz ZXMMOFYJRDRRTE-XQRVVYSFSA-N -2 3 327.369 2.809 20 0 EFADHL Cc1noc(-c2ccccc2)c1[N-]C(=O)c1ccc(-c2nn[n-]n2)o1 ZINC001609462397 1098336800 /nfs/dbraw/zinc/33/68/00/1098336800.db2.gz SEWJNCJJXJBKPS-UHFFFAOYSA-N -2 3 336.311 2.675 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1scnc1C(=O)[O-])C1CCCCC1 ZINC001609676439 1098423817 /nfs/dbraw/zinc/42/38/17/1098423817.db2.gz FOZUUZMNGZIRMZ-UHFFFAOYSA-N -2 3 346.474 2.726 20 0 EFADHL CC1(C2([N-]S(=O)(=O)c3cc(C(=O)[O-])c(Cl)cc3F)CC2)CC1 ZINC001609820365 1098468086 /nfs/dbraw/zinc/46/80/86/1098468086.db2.gz AEJPKSUNIULNBI-UHFFFAOYSA-N -2 3 347.795 2.788 20 0 EFADHL CCc1ccc([O-])c(C(=O)N2CCc3cccc(C(=O)[O-])c3C2)c1 ZINC001610062869 1098535538 /nfs/dbraw/zinc/53/55/38/1098535538.db2.gz PGALCTJPFFBUSF-UHFFFAOYSA-N -2 3 325.364 2.851 20 0 EFADHL CCc1ccc([O-])c(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001610062414 1098535771 /nfs/dbraw/zinc/53/57/71/1098535771.db2.gz FHVLFCQIBLMKCE-UHFFFAOYSA-N -2 3 329.352 2.695 20 0 EFADHL COc1cccc2c(C(=O)OCc3cc(C(=O)[O-])ccc3F)n[n-]c21 ZINC001610359909 1098640376 /nfs/dbraw/zinc/64/03/76/1098640376.db2.gz HVRATSVTUSMGQX-UHFFFAOYSA-N -2 3 344.298 2.766 20 0 EFADHL COc1cccc2c(C(=O)OCc3cc(C(=O)[O-])ccc3F)[n-]nc21 ZINC001610359909 1098640381 /nfs/dbraw/zinc/64/03/81/1098640381.db2.gz HVRATSVTUSMGQX-UHFFFAOYSA-N -2 3 344.298 2.766 20 0 EFADHL Cc1c([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]nc1C(C)C ZINC001610411044 1098662801 /nfs/dbraw/zinc/66/28/01/1098662801.db2.gz KVCMFCWPIQHZCE-TWGQIWQCSA-N -2 3 349.412 2.740 20 0 EFADHL Cc1ccc(-n2cc([O-])c(C(=O)OCc3ccoc3C(=O)[O-])n2)cc1 ZINC001610481759 1098702258 /nfs/dbraw/zinc/70/22/58/1098702258.db2.gz VGPLSRFKVYZOFE-UHFFFAOYSA-N -2 3 342.307 2.535 20 0 EFADHL Cc1ccc(CC(C)(C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001610498020 1098714274 /nfs/dbraw/zinc/71/42/74/1098714274.db2.gz VPOXJAWPICTBGD-UHFFFAOYSA-N -2 3 337.397 2.586 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)c(C(=O)[O-])c1 ZINC001610513006 1098724587 /nfs/dbraw/zinc/72/45/87/1098724587.db2.gz DEWHWRHKCQLLAR-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])nc2)c1Cl ZINC001610524550 1098731381 /nfs/dbraw/zinc/73/13/81/1098731381.db2.gz XZVLBLFUEKJKFW-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL O=C([O-])[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(O)cc1 ZINC001610679732 1098823543 /nfs/dbraw/zinc/82/35/43/1098823543.db2.gz KDBNTNXNPPXLNB-QGZVFWFLSA-N -2 3 337.331 2.807 20 0 EFADHL O=C([O-])c1ccc(Cl)c(COC(=O)c2cc(F)cc3[n-]nnc32)c1 ZINC001610831152 1098920621 /nfs/dbraw/zinc/92/06/21/1098920621.db2.gz TXXNPNFSATWHNY-UHFFFAOYSA-N -2 3 349.705 2.806 20 0 EFADHL O=C([O-])c1ccc(Cl)c(COC(=O)c2cc(F)cc3nn[n-]c32)c1 ZINC001610831152 1098920631 /nfs/dbraw/zinc/92/06/31/1098920631.db2.gz TXXNPNFSATWHNY-UHFFFAOYSA-N -2 3 349.705 2.806 20 0 EFADHL O=C([O-])c1ccc(Cl)c(COC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC001610831152 1098920648 /nfs/dbraw/zinc/92/06/48/1098920648.db2.gz TXXNPNFSATWHNY-UHFFFAOYSA-N -2 3 349.705 2.806 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCC[C@H](c3ccccc3)C2)c1 ZINC001610867191 1098945131 /nfs/dbraw/zinc/94/51/31/1098945131.db2.gz KSPGWKAQMOOJGV-ZFWWWQNUSA-N -2 3 349.408 2.983 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](c3ccccc3)C2)c1 ZINC001610867186 1098946006 /nfs/dbraw/zinc/94/60/06/1098946006.db2.gz KSPGWKAQMOOJGV-UKRRQHHQSA-N -2 3 349.408 2.983 20 0 EFADHL COc1ccc(Nc2ccc([O-])c(F)c2F)c(S(=O)(=O)[O-])c1 ZINC001212011148 1104885244 /nfs/dbraw/zinc/88/52/44/1104885244.db2.gz VDBSHCMPKXMQHY-UHFFFAOYSA-N -2 3 331.296 2.669 20 0 EFADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000050196057 214048897 /nfs/dbraw/zinc/04/88/97/214048897.db2.gz JHPTYKXAAQPGFS-UHFFFAOYSA-N -2 3 340.228 2.915 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C(=O)[O-])c(C)c1 ZINC000055587039 214331294 /nfs/dbraw/zinc/33/12/94/214331294.db2.gz GVPXVCRPFDRTOR-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=S(=O)(C[C@H]1CCCCO1)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000174731457 231292897 /nfs/dbraw/zinc/29/28/97/231292897.db2.gz KWVCTKUZJPHSQG-SNVBAGLBSA-N -2 3 339.335 2.722 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000036838346 213122207 /nfs/dbraw/zinc/12/22/07/213122207.db2.gz DGBFQVHIKWZMJZ-VIFPVBQESA-N -2 3 326.201 2.525 20 0 EFADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000131917523 223284025 /nfs/dbraw/zinc/28/40/25/223284025.db2.gz KVXSBNFFKLDUKU-QMMMGPOBSA-N -2 3 340.228 2.915 20 0 EFADHL CC(C)[C@@H](C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000087491907 217732133 /nfs/dbraw/zinc/73/21/33/217732133.db2.gz YNECXPOHAGVGKK-MRVPVSSYSA-N -2 3 340.228 2.629 20 0 EFADHL Cc1cc2cc([N-]S(=O)(=O)c3cc(C(=O)[O-])ccc3[O-])ccc2[nH]1 ZINC000433496165 248066452 /nfs/dbraw/zinc/06/64/52/248066452.db2.gz DDPOVCRJWXANAN-UHFFFAOYSA-N -3 3 346.364 2.681 20 0 EFADHL Cc1nc(C=Cc2c[nH]nc2C(C)(C)C)[n-]c(=O)c1CCC(=O)[O-] ZINC000443443002 250196559 /nfs/dbraw/zinc/19/65/59/250196559.db2.gz MGYXKLBZHXDBMK-ALCCZGGFSA-N -2 3 330.388 2.699 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c1F ZINC000427300781 304264172 /nfs/dbraw/zinc/26/41/72/304264172.db2.gz VIQRKTOAMNIRAF-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL O=C(N=c1ccc([O-])n[n-]1)C(Cc1ccccc1)Cc1ccccc1 ZINC000466338676 256002332 /nfs/dbraw/zinc/00/23/32/256002332.db2.gz WNARWEPPPMSPCK-UHFFFAOYSA-N -2 3 333.391 2.644 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2C)cc1C(=O)[O-] ZINC000071837538 257973593 /nfs/dbraw/zinc/97/35/93/257973593.db2.gz KFEZNKURDMKLQK-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000263422744 141392758 /nfs/dbraw/zinc/39/27/58/141392758.db2.gz LPNHTJXWEAMDSD-HXUWFJFHSA-N -2 3 339.391 2.920 20 0 EFADHL C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000263422743 141392855 /nfs/dbraw/zinc/39/28/55/141392855.db2.gz LPNHTJXWEAMDSD-FQEVSTJZSA-N -2 3 339.391 2.920 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1F ZINC000323867901 141497462 /nfs/dbraw/zinc/49/74/62/141497462.db2.gz YUFBRKGJUJFBAK-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL CC(C)[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000340448939 141801539 /nfs/dbraw/zinc/80/15/39/141801539.db2.gz APYIXVZHMSRVFV-ZDUSSCGKSA-N -2 3 341.816 2.881 20 0 EFADHL COc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000346011145 142132876 /nfs/dbraw/zinc/13/28/76/142132876.db2.gz GWQSMCPYEXFVFQ-ZBEGNZNMSA-N -2 3 329.352 2.593 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc2[nH]ncc21 ZINC000346495156 142212016 /nfs/dbraw/zinc/21/20/16/142212016.db2.gz XBPYIXOPCKHTFW-UHFFFAOYSA-N -2 3 349.343 2.509 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)c1 ZINC000342642235 145164435 /nfs/dbraw/zinc/16/44/35/145164435.db2.gz VUNMYWVXIXDCQR-UHFFFAOYSA-N -2 3 343.788 2.864 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(-c3ncco3)c2)c1 ZINC000342777476 145189828 /nfs/dbraw/zinc/18/98/28/145189828.db2.gz KXRZBDQONXYCKM-UHFFFAOYSA-N -2 3 346.364 2.857 20 0 EFADHL Cc1nc(C=Cc2cnc3ccc(Cl)cn23)[n-]c(=O)c1CC(=O)[O-] ZINC000349102934 146053303 /nfs/dbraw/zinc/05/33/03/146053303.db2.gz BPGQLERSAUIMDM-ARJAWSKDSA-N -2 3 344.758 2.589 20 0 EFADHL Cc1nc(C=Cc2nc(-c3ccccc3)c[nH]2)[n-]c(=O)c1CC(=O)[O-] ZINC000349102796 146053323 /nfs/dbraw/zinc/05/33/23/146053323.db2.gz BGDWINIPQZTZEL-BQYQJAHWSA-N -2 3 336.351 2.678 20 0 EFADHL Cc1nc(C=Cc2cn3cc(Cl)ccc3n2)[n-]c(=O)c1CC(=O)[O-] ZINC000349106964 146054034 /nfs/dbraw/zinc/05/40/34/146054034.db2.gz ITWXHVJZFPJIFD-ARJAWSKDSA-N -2 3 344.758 2.589 20 0 EFADHL COc1cccc(Cl)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349113687 146054387 /nfs/dbraw/zinc/05/43/87/146054387.db2.gz SSGDZZLNKCABCC-VOTSOKGWSA-N -2 3 334.759 2.950 20 0 EFADHL CCn1nc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c2ccccc21 ZINC000349113318 146054683 /nfs/dbraw/zinc/05/46/83/146054683.db2.gz RCMUOUHIDLTLDR-HJWRWDBZSA-N -2 3 338.367 2.658 20 0 EFADHL Cc1nc(C=Cc2cccc(C(=O)[O-])c2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000349115014 146054932 /nfs/dbraw/zinc/05/49/32/146054932.db2.gz WIHRVHYFJDARNL-AATRIKPKSA-N -3 3 348.742 2.640 20 0 EFADHL COCCc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1 ZINC000356629466 147294908 /nfs/dbraw/zinc/29/49/08/147294908.db2.gz MJTYEVMNANULGS-UHFFFAOYSA-N -2 3 349.408 2.683 20 0 EFADHL COc1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc(Cl)c1[O-] ZINC000014115119 286190286 /nfs/dbraw/zinc/19/02/86/286190286.db2.gz MBEWWEWGFNLEIA-SDQBBNPISA-N -2 3 329.739 2.865 20 0 EFADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2ccc([O-])cc2F)CC1 ZINC000378483421 152096878 /nfs/dbraw/zinc/09/68/78/152096878.db2.gz PMONEWDTNJOCOZ-UHFFFAOYSA-N -2 3 343.354 2.972 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCCCc2ccccc2)c1 ZINC000013279376 544425659 /nfs/dbraw/zinc/42/56/59/544425659.db2.gz ZRGKNTKIZFDNDP-UHFFFAOYSA-N -2 3 339.438 2.748 20 0 EFADHL CCn1cc(S(=O)(=O)[N-]c2ccccc2Cl)cc1C(=O)[O-] ZINC000036864034 544441949 /nfs/dbraw/zinc/44/19/49/544441949.db2.gz GSVUXFADZKIRTA-UHFFFAOYSA-N -2 3 328.777 2.660 20 0 EFADHL Cc1ccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)c([O-])c1 ZINC000122536615 544602183 /nfs/dbraw/zinc/60/21/83/544602183.db2.gz NTVVHCONDDLOCP-UHFFFAOYSA-N -2 3 334.397 2.633 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-] ZINC000278233019 267375205 /nfs/dbraw/zinc/37/52/05/267375205.db2.gz KORQAVOJCKCQGW-VIFPVBQESA-N -2 3 349.836 2.516 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-] ZINC000278233017 267376322 /nfs/dbraw/zinc/37/63/22/267376322.db2.gz KORQAVOJCKCQGW-SECBINFHSA-N -2 3 349.836 2.516 20 0 EFADHL C[C@H](C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000274955170 273135318 /nfs/dbraw/zinc/13/53/18/273135318.db2.gz UDWSRIBTZDZZES-SSDOTTSWSA-N -2 3 333.818 2.554 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])sc1Cl ZINC000276655446 273139618 /nfs/dbraw/zinc/13/96/18/273139618.db2.gz YDMCMJANYKDDRP-MRVPVSSYSA-N -2 3 339.866 2.878 20 0 EFADHL COc1ccc(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(OC)c1 ZINC000279476798 273219688 /nfs/dbraw/zinc/21/96/88/273219688.db2.gz NNYLFXORDDIUND-VMPITWQZSA-N -2 3 344.367 2.695 20 0 EFADHL Cc1ccc(C(=O)NCCC(=O)Nc2ccc(Cl)cc2[O-])c([O-])c1 ZINC000153638460 293385796 /nfs/dbraw/zinc/38/57/96/293385796.db2.gz XULFPVVWBHQTMF-UHFFFAOYSA-N -2 3 348.786 2.818 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]c2c(F)cccc2F)c1 ZINC000156256689 293502953 /nfs/dbraw/zinc/50/29/53/293502953.db2.gz WAQBYJZUWGCHEH-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL COC(=O)C1(CS(=O)(=O)[N-]c2cc(Cl)ccc2[O-])CCCC1 ZINC000290593371 294129383 /nfs/dbraw/zinc/12/93/83/294129383.db2.gz XTXJBHHKUFPSMK-UHFFFAOYSA-N -2 3 347.820 2.521 20 0 EFADHL C[C@H](CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000291015920 294248358 /nfs/dbraw/zinc/24/83/58/294248358.db2.gz VMSSKBUMKJVQGL-SSDOTTSWSA-N -2 3 345.364 2.546 20 0 EFADHL CC(C)Oc1c([N-]S(=O)(=O)CCCCF)cccc1C(=O)[O-] ZINC000295146464 295274008 /nfs/dbraw/zinc/27/40/08/295274008.db2.gz AUKPYCHQGWMDNI-UHFFFAOYSA-N -2 3 333.381 2.663 20 0 EFADHL Cc1ccc(-n2[n-]c(C(=O)N3CCCc4cccc([O-])c43)cc2=O)cc1 ZINC000182919543 301472534 /nfs/dbraw/zinc/47/25/34/301472534.db2.gz RFDZXQNTDSITLO-UHFFFAOYSA-N -2 3 349.390 2.773 20 0 EFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000136738665 310665679 /nfs/dbraw/zinc/66/56/79/310665679.db2.gz RAZMTBSTIFGQAU-NSHDSACASA-N -2 3 337.800 2.647 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2)c(F)c1 ZINC000315825729 311234849 /nfs/dbraw/zinc/23/48/49/311234849.db2.gz CPWAXZKZQNOUTM-UHFFFAOYSA-N -2 3 327.308 2.605 20 0 EFADHL C[C@@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000316302354 311235206 /nfs/dbraw/zinc/23/52/06/311235206.db2.gz MGBGDSLIMMESAZ-UWVGGRQHSA-N -2 3 335.372 2.523 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)CCC(=O)[O-] ZINC000316651302 311235390 /nfs/dbraw/zinc/23/53/90/311235390.db2.gz ZMINYCYLIQTUAM-UHFFFAOYSA-N -2 3 335.372 2.524 20 0 EFADHL C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2cc(F)ccc2Cl)(C(=O)[O-])C1 ZINC000318314633 311236378 /nfs/dbraw/zinc/23/63/78/311236378.db2.gz VGHJAQVFYYPDOC-XPTSAGLGSA-N -2 3 349.811 2.791 20 0 EFADHL CCCOc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000321154101 311238232 /nfs/dbraw/zinc/23/82/32/311238232.db2.gz VSGYDKYWYZVWFO-UHFFFAOYSA-N -2 3 335.381 2.974 20 0 EFADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000322582897 311239560 /nfs/dbraw/zinc/23/95/60/311239560.db2.gz HZDXIHXDFDSJBV-UHFFFAOYSA-N -2 3 335.356 2.813 20 0 EFADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000325549720 311243376 /nfs/dbraw/zinc/24/33/76/311243376.db2.gz UZZHSTVIPPBCGT-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(OCC3CC3)cc2)c1 ZINC000497959930 315398167 /nfs/dbraw/zinc/39/81/67/315398167.db2.gz NEDCPVKXRJWLLQ-UHFFFAOYSA-N -2 3 347.392 2.974 20 0 EFADHL COC(=O)C(C)(C)CS(=O)(=O)[N-]c1ccc(C(C)(C)C)cc1[O-] ZINC000518246894 315803495 /nfs/dbraw/zinc/80/34/95/315803495.db2.gz HVIDWDDICBDPCU-UHFFFAOYSA-N -2 3 343.445 2.631 20 0 EFADHL CCC(C)(C)CS(=O)(=O)[N-]c1c(F)c(OC)ccc1C(=O)[O-] ZINC000530137586 317060679 /nfs/dbraw/zinc/06/06/79/317060679.db2.gz JRZKBYHXPLAQKT-UHFFFAOYSA-N -2 3 333.381 2.710 20 0 EFADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000530888220 317191781 /nfs/dbraw/zinc/19/17/81/317191781.db2.gz ZCWOENFEEGGKDY-UHFFFAOYSA-N -2 3 335.381 2.757 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1C(=O)[O-] ZINC000534885596 317564827 /nfs/dbraw/zinc/56/48/27/317564827.db2.gz PHJPBWUKOKEOEI-UHFFFAOYSA-N -3 3 339.344 2.647 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3c2ccn3C)c1 ZINC000540497942 317745463 /nfs/dbraw/zinc/74/54/63/317745463.db2.gz LUVDVTGQLYIKSN-UHFFFAOYSA-N -2 3 332.381 2.693 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1 ZINC000547546204 318018300 /nfs/dbraw/zinc/01/83/00/318018300.db2.gz YFAVDQVJMCTYFG-UHFFFAOYSA-N -2 3 345.298 2.744 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-]C[C@]1(CC(=O)[O-])CC[C@H](C)C1 ZINC000547561500 318019214 /nfs/dbraw/zinc/01/92/14/318019214.db2.gz SLKCFNDUQZFIBP-MEDUHNTESA-N -2 3 343.420 2.694 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c(F)cc1F ZINC000547608730 318021325 /nfs/dbraw/zinc/02/13/25/318021325.db2.gz KZMDQLCIIBPHID-GXSJLCMTSA-N -2 3 349.399 2.831 20 0 EFADHL Cc1cc(CS(=O)(=O)[N-]c2ccc([C@@H](C)CC(=O)[O-])cc2)on1 ZINC000547616331 318021962 /nfs/dbraw/zinc/02/19/62/318021962.db2.gz USIZOSNDISIIRV-JTQLQIEISA-N -2 3 338.385 2.503 20 0 EFADHL CC1([C@H]([N-]S(=O)(=O)c2ccccc2F)C(=O)[O-])CCCCC1 ZINC000547701721 318031567 /nfs/dbraw/zinc/03/15/67/318031567.db2.gz YXEBBGQYJCSMHX-CYBMUJFWSA-N -2 3 329.393 2.528 20 0 EFADHL CC(C)(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)CC(=O)[O-] ZINC000547880740 318050927 /nfs/dbraw/zinc/05/09/27/318050927.db2.gz ZAVWIZMQSQREOM-MRVPVSSYSA-N -2 3 339.866 2.817 20 0 EFADHL C[C@@H]1CC[C@](C[N-]S(=O)(=O)c2cc(F)cc(F)c2)(CC(=O)[O-])C1 ZINC000547899428 318051784 /nfs/dbraw/zinc/05/17/84/318051784.db2.gz VVSZPMSRMDIHDH-MEBBXXQBSA-N -2 3 347.383 2.524 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](C)CCC(=O)[O-] ZINC000547901430 318052181 /nfs/dbraw/zinc/05/21/81/318052181.db2.gz ZYOPJEQPXUTXKD-SECBINFHSA-N -2 3 343.376 2.660 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)[O-])o2)c(Cl)cc1F ZINC000547935714 318053911 /nfs/dbraw/zinc/05/39/11/318053911.db2.gz NOPPZAOWZNKECZ-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL CCC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000547940274 318054229 /nfs/dbraw/zinc/05/42/29/318054229.db2.gz VJVVFUROWVWULB-RNCFNFMXSA-N -2 3 335.372 2.523 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])cc1F ZINC000547940364 318054348 /nfs/dbraw/zinc/05/43/48/318054348.db2.gz JQUHQMSPLWNLEI-UHFFFAOYSA-N -2 3 349.399 2.833 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)Cc2cccc(F)c2)c1 ZINC000548196954 318083972 /nfs/dbraw/zinc/08/39/72/318083972.db2.gz MPIJIPXASODSDK-UHFFFAOYSA-N -2 3 327.308 2.605 20 0 EFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000548229557 318085377 /nfs/dbraw/zinc/08/53/77/318085377.db2.gz ULNCTKXADMPQQO-VIFPVBQESA-N -2 3 337.800 2.791 20 0 EFADHL Cc1cc(F)cc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000548265212 318087227 /nfs/dbraw/zinc/08/72/27/318087227.db2.gz YMTUGSRPFDRBNI-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@H](C)CC(=O)[O-] ZINC000548268147 318087580 /nfs/dbraw/zinc/08/75/80/318087580.db2.gz XTAJZRXBGFKJRG-MRVPVSSYSA-N -2 3 345.804 2.784 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(F)c1 ZINC000548527453 318118044 /nfs/dbraw/zinc/11/80/44/318118044.db2.gz GEGYEWVLNKLRQE-UHFFFAOYSA-N -2 3 345.298 2.744 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000548554137 318119128 /nfs/dbraw/zinc/11/91/28/318119128.db2.gz FRJIKAJQDFKWBO-GXTWGEPZSA-N -2 3 349.811 2.791 20 0 EFADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000548593434 318121863 /nfs/dbraw/zinc/12/18/63/318121863.db2.gz UIHYACOEBSRRJC-IUCAKERBSA-N -2 3 339.866 2.959 20 0 EFADHL Cc1nc(C=Cc2cc3c(c(Cl)c2)OCO3)[n-]c(=O)c1CC(=O)[O-] ZINC000552001509 318235491 /nfs/dbraw/zinc/23/54/91/318235491.db2.gz DBXIIYVGDCCWRU-NSCUHMNNSA-N -2 3 348.742 2.670 20 0 EFADHL O=C(Nc1ccc(Br)cc1[O-])C(=O)c1ccc([O-])cc1 ZINC000554330702 318307951 /nfs/dbraw/zinc/30/79/51/318307951.db2.gz FMQFHGRSXIRLDL-UHFFFAOYSA-N -2 3 336.141 2.682 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@@H](C)C2)c(F)cc1F ZINC000554538577 318321549 /nfs/dbraw/zinc/32/15/49/318321549.db2.gz RBHDAIDQCPMIBM-RFAUZJTJSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@H](C)C2)c(F)cc1F ZINC000554538575 318321810 /nfs/dbraw/zinc/32/18/10/318321810.db2.gz RBHDAIDQCPMIBM-BJOHPYRUSA-N -2 3 347.383 2.585 20 0 EFADHL COC(=O)c1ccc(C(=O)Nc2ccc(Br)cc2[O-])[n-]1 ZINC000562404068 318644338 /nfs/dbraw/zinc/64/43/38/318644338.db2.gz FGCIWGIFVVYVFU-UHFFFAOYSA-N -2 3 339.145 2.522 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1ccccc1C(=O)[O-])c1nc(C)cs1 ZINC000563070698 318736927 /nfs/dbraw/zinc/73/69/27/318736927.db2.gz HYQHWRMYKYQBOU-NSHDSACASA-N -2 3 340.426 2.579 20 0 EFADHL CCCC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C1CCC1 ZINC000566617439 319095436 /nfs/dbraw/zinc/09/54/36/319095436.db2.gz FLSFEHNABUETBL-ZDUSSCGKSA-N -2 3 329.418 2.923 20 0 EFADHL Cc1csc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)c1 ZINC000566840305 319114508 /nfs/dbraw/zinc/11/45/08/319114508.db2.gz MFIJFWOJOFUGTE-IINYFYTJSA-N -2 3 331.459 2.616 20 0 EFADHL Cc1csc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)c1 ZINC000566840306 319114558 /nfs/dbraw/zinc/11/45/58/319114558.db2.gz MFIJFWOJOFUGTE-QMTHXVAHSA-N -2 3 331.459 2.616 20 0 EFADHL Cc1csc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)c1 ZINC000566840307 319114622 /nfs/dbraw/zinc/11/46/22/319114622.db2.gz MFIJFWOJOFUGTE-YGRLFVJLSA-N -2 3 331.459 2.616 20 0 EFADHL C[C@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@H]1C(=O)[O-] ZINC000567166235 319144797 /nfs/dbraw/zinc/14/47/97/319144797.db2.gz UJKMHRSIQOGFQI-CMPLNLGQSA-N -2 3 341.367 2.624 20 0 EFADHL CCC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000567799294 319212720 /nfs/dbraw/zinc/21/27/20/319212720.db2.gz JQOQSVBBRNWWHV-CQSZACIVSA-N -2 3 337.397 2.668 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)o1 ZINC000567805566 319213176 /nfs/dbraw/zinc/21/31/76/319213176.db2.gz LVGXYRWYYWGQJB-QJPTWQEYSA-N -2 3 327.402 2.615 20 0 EFADHL CC(=O)c1cccc(NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1[O-] ZINC000568794712 319319247 /nfs/dbraw/zinc/31/92/47/319319247.db2.gz STAYPZKNPZUNSN-UHFFFAOYSA-N -2 3 343.383 2.949 20 0 EFADHL CCC[C@H](C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000568825585 319320841 /nfs/dbraw/zinc/32/08/41/319320841.db2.gz IXGNMOPIHHYRTQ-SNVBAGLBSA-N -2 3 343.376 2.660 20 0 EFADHL COc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)CCC1CCCC1 ZINC000569431548 319379060 /nfs/dbraw/zinc/37/90/60/319379060.db2.gz KDFVDSCTJHCSJY-UHFFFAOYSA-N -2 3 327.402 2.715 20 0 EFADHL Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)o2)s1 ZINC000569572218 319393187 /nfs/dbraw/zinc/39/31/87/319393187.db2.gz XMQLRXTZFYJOBP-MRVPVSSYSA-N -2 3 343.426 2.566 20 0 EFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000573543198 319775489 /nfs/dbraw/zinc/77/54/89/319775489.db2.gz KXVPBPXBUAZSOU-JTQLQIEISA-N -2 3 340.228 2.771 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)[C@H](C)C(=O)[O-] ZINC000574775163 319894151 /nfs/dbraw/zinc/89/41/51/319894151.db2.gz UBAZCPOIYRDCJS-UWVGGRQHSA-N -2 3 341.816 2.881 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)Cc2cccc(F)c2)c1F ZINC000576806012 320050062 /nfs/dbraw/zinc/05/00/62/320050062.db2.gz KOHZNJWKATYSKL-UHFFFAOYSA-N -2 3 327.308 2.605 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1(CC(=O)[O-])CC1 ZINC000576947497 320063627 /nfs/dbraw/zinc/06/36/27/320063627.db2.gz SBSSNLYJLALVFG-UHFFFAOYSA-N -2 3 343.788 2.680 20 0 EFADHL C[C@H]1OCC[C@@H]1S(=O)(=O)[N-]c1cc(C(C)(C)C)ccc1C(=O)[O-] ZINC000577388905 320106714 /nfs/dbraw/zinc/10/67/14/320106714.db2.gz RULMIWGPLLLPEZ-YGRLFVJLSA-N -2 3 341.429 2.601 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CCC(=O)[O-])c1F ZINC000578036653 320167537 /nfs/dbraw/zinc/16/75/37/320167537.db2.gz XSCZCNGQMSSPII-STQMWFEESA-N -2 3 343.420 2.836 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H]1CCCCC1(C)C ZINC000578067518 320170381 /nfs/dbraw/zinc/17/03/81/320170381.db2.gz SFVHKZAXAXHDJC-NSHDSACASA-N -2 3 347.458 2.702 20 0 EFADHL CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000387634480 323766542 /nfs/dbraw/zinc/76/65/42/323766542.db2.gz RFUJJCMCRGPMNT-ZWNOBZJWSA-N -2 3 329.393 2.771 20 0 EFADHL CCc1cc(=O)[n-]c(CN2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])n1 ZINC000580097576 324098343 /nfs/dbraw/zinc/09/83/43/324098343.db2.gz RXKDVDJGOIDEJI-ZFWWWQNUSA-N -2 3 333.432 2.600 20 0 EFADHL CCc1cc(=O)[n-]c(CN2C[C@@H](C3CCCCC3)C[C@@H]2C(=O)[O-])n1 ZINC000580097573 324098388 /nfs/dbraw/zinc/09/83/88/324098388.db2.gz RXKDVDJGOIDEJI-DZGCQCFKSA-N -2 3 333.432 2.600 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2ccc(-c3cc(=O)[nH][n-]3)cc2)c1 ZINC000580219512 324123434 /nfs/dbraw/zinc/12/34/34/324123434.db2.gz OWTHDCWIFPDRKN-UHFFFAOYSA-N -2 3 325.324 2.749 20 0 EFADHL CCC(CC)(CC)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000580832080 324246786 /nfs/dbraw/zinc/24/67/86/324246786.db2.gz PAUSXPLIFTYWOH-UHFFFAOYSA-N -2 3 335.447 2.702 20 0 EFADHL O=C([O-])[C@H]1CCCCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000580868635 324253410 /nfs/dbraw/zinc/25/34/10/324253410.db2.gz YBVBIKCYZYPTHV-KBPBESRZSA-N -2 3 347.383 2.667 20 0 EFADHL Cc1cccc([C@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c1 ZINC000185058392 473314056 /nfs/dbraw/zinc/31/40/56/473314056.db2.gz BKHAKJLIBUPJDG-LLVKDONJSA-N -2 3 339.438 2.837 20 0 EFADHL CC[C@@](CNC(=O)c1ccc(OC)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC000622000266 479876448 /nfs/dbraw/zinc/87/64/48/479876448.db2.gz DMJCJWJAGOUDEE-IBGZPJMESA-N -2 3 343.379 2.563 20 0 EFADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000388177548 476776361 /nfs/dbraw/zinc/77/63/61/476776361.db2.gz MALXYYSUUIFFHQ-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CCC(CC)([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000388800857 476780325 /nfs/dbraw/zinc/78/03/25/476780325.db2.gz JKUSIRITUQASAT-UHFFFAOYSA-N -2 3 339.335 2.627 20 0 EFADHL CCO[C@@H](CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)[O-])C1CC1 ZINC000629288063 480200516 /nfs/dbraw/zinc/20/05/16/480200516.db2.gz ALLCQIGAFOUDIA-ZDUSSCGKSA-N -2 3 347.820 2.595 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000007057404 471588957 /nfs/dbraw/zinc/58/89/57/471588957.db2.gz SJJGQIYHOQCCFJ-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(F)c1 ZINC000007428179 471613053 /nfs/dbraw/zinc/61/30/53/471613053.db2.gz ARHGRYCVMDUQIT-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCSc2ccccc2)c1 ZINC000013311481 471824341 /nfs/dbraw/zinc/82/43/41/471824341.db2.gz KZACYPXEHSZFOS-UHFFFAOYSA-N -2 3 343.451 2.517 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)c1 ZINC000013306569 471825301 /nfs/dbraw/zinc/82/53/01/471825301.db2.gz ULKAHMIRNNCSBN-UHFFFAOYSA-N -2 3 345.829 2.621 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000014097369 471852062 /nfs/dbraw/zinc/85/20/62/471852062.db2.gz DUBWUMVTRGLSMD-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL O=C1[N-]C(=O)/C(=C\c2ccc([O-])c(Br)c2)c2ccccc21 ZINC000015662038 471913240 /nfs/dbraw/zinc/91/32/40/471913240.db2.gz NJAGIKCTWFDLMC-GHXNOFRVSA-N -2 3 344.164 2.965 20 0 EFADHL CC(C)(C)[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000035390698 471996238 /nfs/dbraw/zinc/99/62/38/471996238.db2.gz XNRDFBBEVFYNRM-JTQLQIEISA-N -2 3 340.228 2.771 20 0 EFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000035390697 471996284 /nfs/dbraw/zinc/99/62/84/471996284.db2.gz XNRDFBBEVFYNRM-SNVBAGLBSA-N -2 3 340.228 2.771 20 0 EFADHL O=C(Nc1cc(F)ccc1[O-])c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084407936 472176406 /nfs/dbraw/zinc/17/64/06/472176406.db2.gz HGHQZLAFWQJCKK-UHFFFAOYSA-N -2 3 331.278 2.814 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000085325724 472237647 /nfs/dbraw/zinc/23/76/47/472237647.db2.gz WOTXAIDRXFBADS-KCJUWKMLSA-N -2 3 338.212 2.525 20 0 EFADHL Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC2 ZINC000031666421 472387239 /nfs/dbraw/zinc/38/72/39/472387239.db2.gz NURBSZMVUAQIJS-UHFFFAOYSA-N -2 3 347.392 2.688 20 0 EFADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000070312071 472496273 /nfs/dbraw/zinc/49/62/73/472496273.db2.gz YRHRLVGSESNZKQ-SSDOTTSWSA-N -2 3 326.201 2.525 20 0 EFADHL Cc1cc(Br)c([O-])c(NC(=O)c2cccc3nn[n-]c32)c1 ZINC000119129931 472529546 /nfs/dbraw/zinc/52/95/46/472529546.db2.gz WTSRRQQFEXNBKU-UHFFFAOYSA-N -2 3 347.172 2.987 20 0 EFADHL Cc1cc(Br)c([O-])c(NC(=O)c2cccc3[n-]nnc32)c1 ZINC000119129931 472529549 /nfs/dbraw/zinc/52/95/49/472529549.db2.gz WTSRRQQFEXNBKU-UHFFFAOYSA-N -2 3 347.172 2.987 20 0 EFADHL Cc1cc(Br)c([O-])c(NC(=O)c2cccc3n[n-]nc32)c1 ZINC000119129931 472529555 /nfs/dbraw/zinc/52/95/55/472529555.db2.gz WTSRRQQFEXNBKU-UHFFFAOYSA-N -2 3 347.172 2.987 20 0 EFADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000129471535 472547024 /nfs/dbraw/zinc/54/70/24/472547024.db2.gz QGXSMZNPQMIQQK-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL O=C([O-])[C@@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)c1ccccc1 ZINC000061609296 472710233 /nfs/dbraw/zinc/71/02/33/472710233.db2.gz MGULDLUGDBDUSH-JTQLQIEISA-N -2 3 345.829 2.548 20 0 EFADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000078711138 472757490 /nfs/dbraw/zinc/75/74/90/472757490.db2.gz HMRNMTZNVIUOMP-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1C(=O)[O-] ZINC000047949127 472787145 /nfs/dbraw/zinc/78/71/45/472787145.db2.gz CHUDJKNCUTXIOH-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CCc1ccccc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)[O-])c1 ZINC000047949021 472787633 /nfs/dbraw/zinc/78/76/33/472787633.db2.gz FXXIRRHJCIYCMI-UHFFFAOYSA-N -2 3 335.381 2.757 20 0 EFADHL Cc1ccc(C#N)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000073353679 472801806 /nfs/dbraw/zinc/80/18/06/472801806.db2.gz OEPURBNNFIEGHI-UHFFFAOYSA-N -2 3 334.328 2.505 20 0 EFADHL CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000064467705 472856068 /nfs/dbraw/zinc/85/60/68/472856068.db2.gz MBSKCOUVISQHES-UHFFFAOYSA-N -2 3 348.380 2.534 20 0 EFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000136738932 473175181 /nfs/dbraw/zinc/17/51/81/473175181.db2.gz KOQUZLXJQQOQJW-ZETCQYMHSA-N -2 3 325.839 2.569 20 0 EFADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3[O-])c2)n1 ZINC000125581338 473429582 /nfs/dbraw/zinc/42/95/82/473429582.db2.gz BNGHNFULSTZDRP-UHFFFAOYSA-N -2 3 335.363 2.957 20 0 EFADHL O=C(NCc1ccc([O-])c(Br)c1)c1cc(F)ccc1[O-] ZINC000151530785 473469750 /nfs/dbraw/zinc/46/97/50/473469750.db2.gz VZFHFJCHZSHLSO-UHFFFAOYSA-N -2 3 340.148 2.929 20 0 EFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000287639915 473720004 /nfs/dbraw/zinc/72/00/04/473720004.db2.gz ULIUWMDRYIEUQG-JTQLQIEISA-N -2 3 338.212 2.525 20 0 EFADHL COc1ccc([O-])c(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000262888226 473734171 /nfs/dbraw/zinc/73/41/71/473734171.db2.gz WQLZGFQPTYIDHD-CQSZACIVSA-N -2 3 343.379 2.607 20 0 EFADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1sccc1OC)C(=O)[O-] ZINC000281782441 473835596 /nfs/dbraw/zinc/83/55/96/473835596.db2.gz NEKMYCXYYLPRCL-NSHDSACASA-N -2 3 349.474 2.706 20 0 EFADHL CC(C)(C)c1ccc([N-]S(=O)(=O)Cc2ccon2)c(C(=O)[O-])c1 ZINC000275022763 474044984 /nfs/dbraw/zinc/04/49/84/474044984.db2.gz DNKAPIHAFNAZBQ-UHFFFAOYSA-N -2 3 338.385 2.612 20 0 EFADHL C[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)CC(=O)[O-] ZINC000275025495 474046243 /nfs/dbraw/zinc/04/62/43/474046243.db2.gz PIIVECWXCPRJNE-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C[C@H](C)C(=O)[O-])c1 ZINC000275179064 474095638 /nfs/dbraw/zinc/09/56/38/474095638.db2.gz KCPSOHUUXLYRGZ-VIFPVBQESA-N -2 3 349.836 2.516 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(C(=O)[O-])c2)cc1 ZINC000200461473 474123413 /nfs/dbraw/zinc/12/34/13/474123413.db2.gz MVNDSYDBNJSTIS-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL C[C@@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000275289771 474131627 /nfs/dbraw/zinc/13/16/27/474131627.db2.gz UAAZITCOJMAFON-ZETCQYMHSA-N -2 3 325.839 2.569 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1c(C)csc1C(=O)[O-])c1nccs1 ZINC000226475788 474242660 /nfs/dbraw/zinc/24/26/60/474242660.db2.gz ZEAVNDYRPUNAJJ-QMMMGPOBSA-N -2 3 346.455 2.641 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)ccc1[O-] ZINC000175687472 474282990 /nfs/dbraw/zinc/28/29/90/474282990.db2.gz ZZZYZZWGLSAVPC-UHFFFAOYSA-N -2 3 334.397 2.768 20 0 EFADHL CC(C)(O)CO[N-]C(=O)N=c1nc(Sc2ccccc2)[n-]s1 ZINC000290545612 474576923 /nfs/dbraw/zinc/57/69/23/474576923.db2.gz YCUDWIJMVCNAGO-UHFFFAOYSA-N -2 3 340.430 2.513 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cccc(C)c2C)cc1CC(=O)[O-] ZINC000340901175 474762534 /nfs/dbraw/zinc/76/25/34/474762534.db2.gz OEBAIDPXSXOCPC-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000309940615 474819601 /nfs/dbraw/zinc/81/96/01/474819601.db2.gz ZKXFHUCYZPFYCQ-CABZTGNLSA-N -2 3 349.811 2.791 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C1CCCCC1 ZINC000314093716 474860429 /nfs/dbraw/zinc/86/04/29/474860429.db2.gz AAFDJLGCGYZEHW-UHFFFAOYSA-N -2 3 347.820 2.658 20 0 EFADHL CC[C@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000314752672 474865618 /nfs/dbraw/zinc/86/56/18/474865618.db2.gz FGQNLDNVIGYTSO-IUCAKERBSA-N -2 3 349.836 2.760 20 0 EFADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000315007865 474868279 /nfs/dbraw/zinc/86/82/79/474868279.db2.gz JYJYKXAVAIBSCF-UHFFFAOYSA-N -2 3 345.760 2.749 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)cc1 ZINC000318781132 474893591 /nfs/dbraw/zinc/89/35/91/474893591.db2.gz OOEBIHZJHBXDMJ-UHFFFAOYSA-N -2 3 341.772 2.848 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1F ZINC000318747203 474894469 /nfs/dbraw/zinc/89/44/69/474894469.db2.gz AHHGEPIUVLOMGW-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(F)c2F)ccc1C(=O)[O-] ZINC000319079987 474897363 /nfs/dbraw/zinc/89/73/63/474897363.db2.gz BREKCPPGYKLKIX-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)[O-])c(F)c1 ZINC000319121833 474897818 /nfs/dbraw/zinc/89/78/18/474897818.db2.gz ATGUDRMLBGZOPQ-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C)c1O ZINC000320465561 474911768 /nfs/dbraw/zinc/91/17/68/474911768.db2.gz PYRLDLGLCRNNNZ-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(F)c(F)c1 ZINC000320631160 474915112 /nfs/dbraw/zinc/91/51/12/474915112.db2.gz GJYSZKBAZXNDOD-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000320725169 474917636 /nfs/dbraw/zinc/91/76/36/474917636.db2.gz RYLFFDGUDYNAHD-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1C ZINC000325121808 474983902 /nfs/dbraw/zinc/98/39/02/474983902.db2.gz WMOLPEADKKCYNK-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c(C(=O)[O-])c1 ZINC000325404084 474988487 /nfs/dbraw/zinc/98/84/87/474988487.db2.gz HXINCPCYOTZROI-UHFFFAOYSA-N -2 3 347.392 2.683 20 0 EFADHL CCc1cc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])ccc1[O-] ZINC000341114575 474990418 /nfs/dbraw/zinc/99/04/18/474990418.db2.gz NUOVOQQRSYPBKO-UHFFFAOYSA-N -2 3 349.408 2.706 20 0 EFADHL O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1Cc1nc(=O)c2sccc2[n-]1 ZINC000294284987 475065985 /nfs/dbraw/zinc/06/59/85/475065985.db2.gz ULCZFJILAZDTTD-WCQGTBRESA-N -2 3 333.413 2.615 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]CC2CCC(F)(F)CC2)c1 ZINC000337656405 475216659 /nfs/dbraw/zinc/21/66/59/475216659.db2.gz FYXRILMHYPXIGP-UHFFFAOYSA-N -2 3 339.385 2.550 20 0 EFADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000297132069 475623636 /nfs/dbraw/zinc/62/36/36/475623636.db2.gz HMOCXHNYDFLANR-HZMBPMFUSA-N -2 3 347.383 2.667 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(C)c2)c(C)c1 ZINC000342971546 475665508 /nfs/dbraw/zinc/66/55/08/475665508.db2.gz LVFYUFROIUCOQD-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)cc1C ZINC000361981922 475913529 /nfs/dbraw/zinc/91/35/29/475913529.db2.gz HYJMPUXRYKXXIU-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2C[C@@H]2C2CCCCC2)c1 ZINC000355470463 475966208 /nfs/dbraw/zinc/96/62/08/475966208.db2.gz JARISNHLGGKJTI-VXGBXAGGSA-N -2 3 329.443 2.693 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H](C)CCC(C)C)c1 ZINC000355474462 475969243 /nfs/dbraw/zinc/96/92/43/475969243.db2.gz QSODGHCAIRJFON-NSHDSACASA-N -2 3 331.409 2.935 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCCCCC(=O)[O-] ZINC000340448533 476042420 /nfs/dbraw/zinc/04/24/20/476042420.db2.gz IGNLZBJZHHHGMP-UHFFFAOYSA-N -2 3 343.376 2.804 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C(C)C ZINC000340454472 476042851 /nfs/dbraw/zinc/04/28/51/476042851.db2.gz LQINDIXPONFTCF-GFCCVEGCSA-N -2 3 345.804 2.782 20 0 EFADHL Cc1ccc(-c2nc([N-]C(=O)c3cc(-c4ccccn4)no3)n[n-]2)o1 ZINC000359022177 476122587 /nfs/dbraw/zinc/12/25/87/476122587.db2.gz WZEVFBQRKLLTGH-UHFFFAOYSA-N -2 3 336.311 2.675 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000362307959 476158548 /nfs/dbraw/zinc/15/85/48/476158548.db2.gz DXCJTSDTDCIJBS-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000357017920 476159071 /nfs/dbraw/zinc/15/90/71/476159071.db2.gz RRWQZQIDGPDCJW-UHFFFAOYSA-N -2 3 345.298 2.532 20 0 EFADHL Cc1cc(F)cc(C)c1S(=O)(=O)[N-]c1ccc(CC(=O)[O-])cc1 ZINC000336875905 476160163 /nfs/dbraw/zinc/16/01/63/476160163.db2.gz NGFHPTLLYTUGAH-UHFFFAOYSA-N -2 3 337.372 2.870 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)ccc1C(=O)[O-] ZINC000336876416 476160814 /nfs/dbraw/zinc/16/08/14/476160814.db2.gz SFDHVRTXZGDABN-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000357025470 476166109 /nfs/dbraw/zinc/16/61/09/476166109.db2.gz HBIGDTAMFAMCOS-UHFFFAOYSA-N -2 3 325.773 2.768 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)cc1 ZINC000357081765 476215974 /nfs/dbraw/zinc/21/59/74/476215974.db2.gz ICASKMKAUHUJNS-UHFFFAOYSA-N -2 3 333.365 2.511 20 0 EFADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)c1 ZINC000357101899 476234189 /nfs/dbraw/zinc/23/41/89/476234189.db2.gz FLRGHKSOKCUBFP-UHFFFAOYSA-N -2 3 345.298 2.532 20 0 EFADHL O=C([O-])CSCc1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000362556827 476307528 /nfs/dbraw/zinc/30/75/28/476307528.db2.gz WLWCXZHLCVMKHH-UHFFFAOYSA-N -2 3 342.380 2.528 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(F)cc(Cl)c1[O-] ZINC000353880720 476310988 /nfs/dbraw/zinc/31/09/88/476310988.db2.gz ZPRIXWAGKVBWQF-UHFFFAOYSA-N -2 3 343.767 2.963 20 0 EFADHL CCCc1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c(C(=O)[O-])c1 ZINC000353985404 476347611 /nfs/dbraw/zinc/34/76/11/476347611.db2.gz ZXVFJFUIXKOIGJ-ZDUSSCGKSA-N -2 3 341.429 2.648 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c(C(=O)[O-])c1 ZINC000357402401 476360515 /nfs/dbraw/zinc/36/05/15/476360515.db2.gz SCEDMQYBHJRMRX-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL O=C([O-])c1c(F)cccc1[N-]S(=O)(=O)CCc1cccs1 ZINC000357489606 476412522 /nfs/dbraw/zinc/41/25/22/476412522.db2.gz GOWDXJQLOBHZFQ-UHFFFAOYSA-N -2 3 329.374 2.570 20 0 EFADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(C(=O)[O-])c3)ccc2O1 ZINC000357697175 476544533 /nfs/dbraw/zinc/54/45/33/476544533.db2.gz UDSCOBJDVPWROM-JTQLQIEISA-N -2 3 333.365 2.509 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1c(F)cccc1F ZINC000386439877 476767121 /nfs/dbraw/zinc/76/71/21/476767121.db2.gz DWNSKURDFOCPGX-ZETCQYMHSA-N -2 3 347.364 2.764 20 0 EFADHL CC(C)(C)C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000387625151 476773864 /nfs/dbraw/zinc/77/38/64/476773864.db2.gz XBNSEMAVBKAKIK-JTQLQIEISA-N -2 3 335.372 2.523 20 0 EFADHL CC[C@@H](C[N-]S(=O)(=O)c1csc(C(=O)[O-])c1)CC(F)(F)F ZINC000402555789 476906509 /nfs/dbraw/zinc/90/65/09/476906509.db2.gz GZBATYFLVSVVGX-SSDOTTSWSA-N -2 3 345.364 2.703 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c(F)c1 ZINC000404969509 476924178 /nfs/dbraw/zinc/92/41/78/476924178.db2.gz NFCSHOLGBWKUFX-NEPJUHHUSA-N -2 3 331.409 2.692 20 0 EFADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000457350517 476984862 /nfs/dbraw/zinc/98/48/62/476984862.db2.gz UMDYXMXPJQJJHQ-UHFFFAOYSA-N -2 3 339.388 2.902 20 0 EFADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000432779427 477263841 /nfs/dbraw/zinc/26/38/41/477263841.db2.gz JZYKFQYNEPOBSA-UHFFFAOYSA-N -2 3 334.397 2.560 20 0 EFADHL O=S(=O)(CCOCC1CC1)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000424058161 477276641 /nfs/dbraw/zinc/27/66/41/477276641.db2.gz COCMNSDZKWKWEG-UHFFFAOYSA-N -2 3 339.335 2.579 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCC(C)(C)C(=O)[O-] ZINC000424396912 477389731 /nfs/dbraw/zinc/38/97/31/477389731.db2.gz YNBUBKNNZPEWPT-UHFFFAOYSA-N -2 3 343.376 2.660 20 0 EFADHL CCC(=O)c1ccc([O-])c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c1 ZINC000436643503 477542593 /nfs/dbraw/zinc/54/25/93/477542593.db2.gz FJFONRWAVMXPFI-UHFFFAOYSA-N -2 3 343.383 2.669 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000436668765 477551819 /nfs/dbraw/zinc/55/18/19/477551819.db2.gz XNPLPUDQSLAVTR-UHFFFAOYSA-N -2 3 341.772 2.633 20 0 EFADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2C[C@H](C)c3ccccc32)c1 ZINC000436718698 477568784 /nfs/dbraw/zinc/56/87/84/477568784.db2.gz FXOFNAZBVSDMOT-NSHDSACASA-N -2 3 347.392 2.711 20 0 EFADHL O=C(c1ccc2ccccc2c1[O-])N1CCC(c2n[n-]c(=O)o2)CC1 ZINC000436772098 477586000 /nfs/dbraw/zinc/58/60/00/477586000.db2.gz ZYVRUSCWIGECKM-UHFFFAOYSA-N -2 3 339.351 2.654 20 0 EFADHL COc1cc(C)cc(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)c1[O-] ZINC000436790479 477590171 /nfs/dbraw/zinc/59/01/71/477590171.db2.gz OQUNKHIBPIFCEB-UHFFFAOYSA-N -2 3 329.381 2.835 20 0 EFADHL CC(C)OCc1cc(NC(=O)C(=O)c2ccc([O-])cc2)ccc1[O-] ZINC000436932921 477640788 /nfs/dbraw/zinc/64/07/88/477640788.db2.gz RLPGBROXMHWLJX-UHFFFAOYSA-N -2 3 329.352 2.844 20 0 EFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc(C(F)F)c2)c1 ZINC000436993863 477660903 /nfs/dbraw/zinc/66/09/03/477660903.db2.gz ICQPOWIXJGFFLW-UHFFFAOYSA-N -3 3 343.307 2.829 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000438720461 477879173 /nfs/dbraw/zinc/87/91/73/477879173.db2.gz AAWMJIZHSNNKEZ-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL COc1ccccc1-c1nc([N-]C(=O)c2c(F)ccc([O-])c2F)n[nH]1 ZINC000438765199 477883510 /nfs/dbraw/zinc/88/35/10/477883510.db2.gz IAGBCJPGMIMANU-UHFFFAOYSA-N -2 3 346.293 2.716 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C1(C(=O)[O-])CCC1 ZINC000558590372 477891362 /nfs/dbraw/zinc/89/13/62/477891362.db2.gz CKRVGFMVAWTYKS-UHFFFAOYSA-N -2 3 343.788 2.680 20 0 EFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)C(=O)[O-] ZINC000516536119 477946033 /nfs/dbraw/zinc/94/60/33/477946033.db2.gz QUXFAQKOIVFDOS-ONGXEEELSA-N -2 3 349.836 2.516 20 0 EFADHL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(C)ccc1[O-] ZINC000421149888 477983110 /nfs/dbraw/zinc/98/31/10/477983110.db2.gz IFXACKPRTPDLRY-OAHLLOKOSA-N -2 3 335.425 2.700 20 0 EFADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1 ZINC000421157052 477987613 /nfs/dbraw/zinc/98/76/13/477987613.db2.gz RBCNRSMHAIMQMJ-NSHDSACASA-N -2 3 349.836 2.841 20 0 EFADHL O=C([O-])c1ccc(C[N-]S(=O)(=O)c2csc3ccccc32)o1 ZINC000560418049 478072704 /nfs/dbraw/zinc/07/27/04/478072704.db2.gz PQNKUWWNIAQXAN-UHFFFAOYSA-N -2 3 337.378 2.671 20 0 EFADHL CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1 ZINC000535600035 478217772 /nfs/dbraw/zinc/21/77/72/478217772.db2.gz XVLBOTFHHRTTAU-UHFFFAOYSA-N -2 3 339.344 2.509 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CCC2)c1 ZINC000570157664 478296315 /nfs/dbraw/zinc/29/63/15/478296315.db2.gz DGVKVLQIZOYPKT-UHFFFAOYSA-N -2 3 349.408 2.669 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(Cc3ccccc3)CCC2)o1 ZINC000520402376 478306776 /nfs/dbraw/zinc/30/67/76/478306776.db2.gz NLONUGMLJJQJQR-UHFFFAOYSA-N -2 3 349.408 2.669 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])cc1F ZINC000581583365 478392528 /nfs/dbraw/zinc/39/25/28/478392528.db2.gz VBMPGOBKGCKJPF-SNVBAGLBSA-N -2 3 335.372 2.585 20 0 EFADHL C[C@H](Oc1ccc(Cl)c2ccccc12)C(=O)N=c1ccc([O-])n[n-]1 ZINC000564147354 478699543 /nfs/dbraw/zinc/69/95/43/478699543.db2.gz HMZICUWIKKCSJX-JTQLQIEISA-N -2 3 343.770 2.817 20 0 EFADHL Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000582902365 478715532 /nfs/dbraw/zinc/71/55/32/478715532.db2.gz IRPKTIMYFWYKIB-UHFFFAOYSA-N -2 3 337.397 2.542 20 0 EFADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000592002895 478740280 /nfs/dbraw/zinc/74/02/80/478740280.db2.gz AKWSWLZODWCKNE-NSHDSACASA-N -2 3 347.392 2.817 20 0 EFADHL CCc1ccccc1S(=O)(=O)[N-]c1ccc(OC)cc1C(=O)[O-] ZINC000504666612 478855348 /nfs/dbraw/zinc/85/53/48/478855348.db2.gz WJVYVPUBGHZXLO-UHFFFAOYSA-N -2 3 335.381 2.757 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](Cc2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000583992107 478989280 /nfs/dbraw/zinc/98/92/80/478989280.db2.gz PUNUIMDNXUSQEP-HNNXBMFYSA-N -2 3 349.408 2.586 20 0 EFADHL CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000573203721 479013631 /nfs/dbraw/zinc/01/36/31/479013631.db2.gz SOASGNOCPCRNAW-UWVGGRQHSA-N -2 3 347.408 2.636 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2c2ccccc2)o1 ZINC000584110926 479016118 /nfs/dbraw/zinc/01/61/18/479016118.db2.gz BBTYYOIIHJBFFY-KBPBESRZSA-N -2 3 349.408 2.983 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2c2ccccc2)o1 ZINC000584110929 479018809 /nfs/dbraw/zinc/01/88/09/479018809.db2.gz BBTYYOIIHJBFFY-ZIAGYGMSSA-N -2 3 349.408 2.983 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@H](Cc3ccccc3)C2)o1 ZINC000569807415 479183065 /nfs/dbraw/zinc/18/30/65/479183065.db2.gz GAMMEEPNTWQZQK-ZIAGYGMSSA-N -2 3 349.408 2.668 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1C(=O)[O-] ZINC000584588466 479190505 /nfs/dbraw/zinc/19/05/05/479190505.db2.gz JIJHHNJDJCGUDK-RWMBFGLXSA-N -2 3 341.429 2.923 20 0 EFADHL C[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21 ZINC000574775165 479347574 /nfs/dbraw/zinc/34/75/74/479347574.db2.gz UBAZCPOIYRDCJS-ZJUUUORDSA-N -2 3 341.816 2.881 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)C(=O)[O-] ZINC000575333944 479432299 /nfs/dbraw/zinc/43/22/99/479432299.db2.gz IGRUDYJAWJQLHS-APPZFPTMSA-N -2 3 345.804 2.782 20 0 EFADHL CC(C)[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000575745596 479466517 /nfs/dbraw/zinc/46/65/17/479466517.db2.gz LSZUYQWHGLKDTN-LBPRGKRZSA-N -2 3 340.426 2.517 20 0 EFADHL CCC(C)(C)CS(=O)(=O)[N-]c1c(OC)cc(OC)cc1C(=O)[O-] ZINC000629293815 480203878 /nfs/dbraw/zinc/20/38/78/480203878.db2.gz NZETYEFJXVSQOP-UHFFFAOYSA-N -2 3 345.417 2.580 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c(F)c1F ZINC000629295490 480205090 /nfs/dbraw/zinc/20/50/90/480205090.db2.gz QDRBWDXIFOLMCE-MNOVXSKESA-N -2 3 349.399 2.831 20 0 EFADHL Cc1cc(Cl)c(C(=O)[O-])cc1[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000629304930 480207636 /nfs/dbraw/zinc/20/76/36/480207636.db2.gz WTNAABLUSCMZPB-VIFPVBQESA-N -2 3 347.820 2.656 20 0 EFADHL CC(C)c1c(-c2ccccc2)[n-]n(-c2cn[n-]c(=O)c2Cl)c1=O ZINC000634587441 480370027 /nfs/dbraw/zinc/37/00/27/480370027.db2.gz ONBWNRIHMZMXRJ-GFCCVEGCSA-N -2 3 330.775 2.859 20 0 EFADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc(Cl)cc1[O-] ZINC000636318213 480904858 /nfs/dbraw/zinc/90/48/58/480904858.db2.gz QIAWPUWVXOUSER-UHFFFAOYSA-N -2 3 333.775 2.739 20 0 EFADHL O=C([N-]c1nnc([C@@H]2CCCO2)s1)c1c(F)ccc([O-])c1F ZINC000636357553 480916292 /nfs/dbraw/zinc/91/62/92/480916292.db2.gz GRWJIVVJBRNJGC-QMMMGPOBSA-N -2 3 327.312 2.626 20 0 EFADHL CC1(C(=O)[O-])CCN(Cc2cccc([O-])c2Br)CC1 ZINC000647465048 480949147 /nfs/dbraw/zinc/94/91/47/480949147.db2.gz REEKAEUTQDHBRO-UHFFFAOYSA-N -2 3 328.206 2.841 20 0 EFADHL Cc1ccccc1C(C)(C)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000645959213 480990898 /nfs/dbraw/zinc/99/08/98/480990898.db2.gz PFBCEEAKCHOMBX-UHFFFAOYSA-N -2 3 337.397 2.542 20 0 EFADHL CCC[C@@](C)([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000646005320 481016223 /nfs/dbraw/zinc/01/62/23/481016223.db2.gz QCGRNZDDMLJXCF-SNVBAGLBSA-N -2 3 345.364 2.689 20 0 EFADHL Cc1[n-][nH]c(=O)c1NC(=O)c1ccc(C(=O)c2cccc([O-])c2)cc1 ZINC000647815723 481122945 /nfs/dbraw/zinc/12/29/45/481122945.db2.gz IMYFBLQQTJWZJH-UHFFFAOYSA-N -2 3 337.335 2.613 20 0 EFADHL O=C([O-])[C@@]1(C(=O)Nc2cc(Br)ccc2[O-])CC=CCC1 ZINC000653309903 481219797 /nfs/dbraw/zinc/21/97/97/481219797.db2.gz ORGDOIMDENVRRD-AWEZNQCLSA-N -2 3 340.173 2.904 20 0 EFADHL Cc1[n-][nH]c(=O)c1NC(=O)c1cc(OCc2ccccc2)ccc1[O-] ZINC000646410706 481280649 /nfs/dbraw/zinc/28/06/49/481280649.db2.gz UKESPQGVXVMTBS-UHFFFAOYSA-N -2 3 339.351 2.961 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H](C)c2ccsc2)c1 ZINC000669820155 481322470 /nfs/dbraw/zinc/32/24/70/481322470.db2.gz SSZFDXCCROQBCS-SECBINFHSA-N -2 3 343.401 2.933 20 0 EFADHL O=c1[n-]c([C@@H]2CCCN(Cc3cc([O-])cc(C(F)(F)F)c3)C2)n[nH]1 ZINC000639648039 481395576 /nfs/dbraw/zinc/39/55/76/481395576.db2.gz WPIUWFGHORAUIQ-SNVBAGLBSA-N -2 3 342.321 2.614 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc([C@@H](C)CC(=O)[O-])cc1)C(C)C ZINC000647130259 481653083 /nfs/dbraw/zinc/65/30/83/481653083.db2.gz KQVAALLQCXFALK-WFASDCNBSA-N -2 3 343.445 2.678 20 0 EFADHL CSc1ccc([O-])c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)c1 ZINC000663026484 482037346 /nfs/dbraw/zinc/03/73/46/482037346.db2.gz PEWOKULFODNMDR-BPNCWPANSA-N -2 3 335.425 2.972 20 0 EFADHL CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccc3c(c2[O-])CCCC3)cn1 ZINC000663128947 482081325 /nfs/dbraw/zinc/08/13/25/482081325.db2.gz RMTHJRQASDZSKX-UHFFFAOYSA-N -2 3 343.383 2.540 20 0 EFADHL Cc1cc(F)c(C(=O)[O-])c([N-]S(=O)(=O)CCC(F)(F)F)c1 ZINC000663269267 482145738 /nfs/dbraw/zinc/14/57/38/482145738.db2.gz KLSVNFAHZIUGQG-UHFFFAOYSA-N -2 3 329.271 2.526 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCc3sccc32)oc1C(=O)[O-] ZINC000663422682 482224604 /nfs/dbraw/zinc/22/46/04/482224604.db2.gz MKSGSRTXBMKTKK-SNVBAGLBSA-N -2 3 341.410 2.704 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC(C)(C)c2cccs2)oc1C(=O)[O-] ZINC000663423013 482224920 /nfs/dbraw/zinc/22/49/20/482224920.db2.gz QJJQFZDYXGTYGE-UHFFFAOYSA-N -2 3 343.426 2.604 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC(C)(C)c3ccccc32)oc1C(=O)[O-] ZINC000663422571 482225081 /nfs/dbraw/zinc/22/50/81/482225081.db2.gz LPIUHUFXUOOFOK-CYBMUJFWSA-N -2 3 349.408 2.987 20 0 EFADHL CC(C)C[C@@H](CNCc1cccc([O-])c1Br)C(=O)[O-] ZINC000263109480 519212033 /nfs/dbraw/zinc/21/20/33/519212033.db2.gz YJBLMXIZMRZGLS-NSHDSACASA-N -2 3 330.222 2.991 20 0 EFADHL CCOc1cc(CN2C[C@H](C)C[C@H](C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000263074951 520702296 /nfs/dbraw/zinc/70/22/96/520702296.db2.gz QGVVCDOFXOVWHZ-PWSUYJOCSA-N -2 3 327.808 2.987 20 0 EFADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000231807768 521443658 /nfs/dbraw/zinc/44/36/58/521443658.db2.gz RCEKHGRVDWTHJT-UHFFFAOYSA-N -2 3 339.866 2.879 20 0 EFADHL C[C@@H](CN(C)C(=O)c1cc(Cc2ccccc2)ccc1[O-])C(=O)[O-] ZINC000263232050 524567666 /nfs/dbraw/zinc/56/76/66/524567666.db2.gz QPUXIIHBMIYRNY-ZDUSSCGKSA-N -2 3 327.380 2.776 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccccc2Cl)c(F)c1 ZINC000063009458 526379300 /nfs/dbraw/zinc/37/93/00/526379300.db2.gz NLHKZGXSVPHDDN-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000159660243 526610198 /nfs/dbraw/zinc/61/01/98/526610198.db2.gz KEPYBCVYHHVBHA-LLVKDONJSA-N -2 3 337.800 2.647 20 0 EFADHL COc1cc(C)c(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000349105619 536557511 /nfs/dbraw/zinc/55/75/11/536557511.db2.gz GTHUHRYSGLQCTG-WAYWQWQTSA-N -2 3 344.367 2.614 20 0 EFADHL COCCOc1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1F ZINC000342247061 545948282 /nfs/dbraw/zinc/94/82/82/545948282.db2.gz MTHPMVWIWHLIEO-UHFFFAOYSA-N -2 3 330.315 2.872 20 0 EFADHL COc1ccc(NC(=O)c2nn(-c3cccc(F)c3)cc2[O-])c([O-])c1 ZINC000355004106 546076421 /nfs/dbraw/zinc/07/64/21/546076421.db2.gz VGJIQTGLHCRKLV-UHFFFAOYSA-N -2 3 343.314 2.684 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc(C(=O)[O-])c1 ZINC000507582589 546296010 /nfs/dbraw/zinc/29/60/10/546296010.db2.gz NABQVDIVFJELDA-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H](C(=O)[O-])[C@H](C)c2ccccc2)c1 ZINC000656519112 546826802 /nfs/dbraw/zinc/82/68/02/546826802.db2.gz FKBDHUYCJHTUJL-BXUZGUMPSA-N -2 3 339.438 2.592 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)ccc1[O-])C1CCCC1 ZINC000656620746 546865757 /nfs/dbraw/zinc/86/57/57/546865757.db2.gz GHXFXGICFABFOA-AWEZNQCLSA-N -2 3 333.837 2.993 20 0 EFADHL CC[C@@H](C)CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000656718484 546899828 /nfs/dbraw/zinc/89/98/28/546899828.db2.gz RNIGRQYJUIHEEQ-SECBINFHSA-N -2 3 349.836 2.761 20 0 EFADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCCC12CCCCC2 ZINC000656719326 546900352 /nfs/dbraw/zinc/90/03/52/546900352.db2.gz VGTOCGFRXWJBCZ-LLVKDONJSA-N -2 3 344.458 2.623 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000656729538 546903051 /nfs/dbraw/zinc/90/30/51/546903051.db2.gz XXTNNPWHVNBZGX-TZMCWYRMSA-N -2 3 335.381 2.511 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)c1 ZINC000657142575 547043378 /nfs/dbraw/zinc/04/33/78/547043378.db2.gz IMKWAGSQTRFVHK-RISCZKNCSA-N -2 3 343.420 2.692 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)c1F ZINC000657143422 547043854 /nfs/dbraw/zinc/04/38/54/547043854.db2.gz TUFIGFGCFLQAAT-YPMHNXCESA-N -2 3 343.420 2.692 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1C[C@@H](CCC(=O)[O-])C1(C)C ZINC000657143112 547044080 /nfs/dbraw/zinc/04/40/80/547044080.db2.gz OVZRNTKGVIVYFW-YPMHNXCESA-N -2 3 343.420 2.692 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc([O-])c(Br)c2)[n-]c1=O ZINC000670369788 547474355 /nfs/dbraw/zinc/47/43/55/547474355.db2.gz BNTXRTGLRQXXML-DUXPYHPUSA-N -3 3 337.129 2.519 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc([O-])c(Br)c2)[nH]c1=O ZINC000670369788 547474356 /nfs/dbraw/zinc/47/43/56/547474356.db2.gz BNTXRTGLRQXXML-DUXPYHPUSA-N -2 3 337.129 2.519 20 0 EFADHL O=C([O-])c1cccc(F)c1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000675219691 548234748 /nfs/dbraw/zinc/23/47/48/548234748.db2.gz KIQJXTOUWKBRAJ-UHFFFAOYSA-N -2 3 327.308 2.605 20 0 EFADHL COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(C)cc2[O-])cc1 ZINC000677793967 548768069 /nfs/dbraw/zinc/76/80/69/548768069.db2.gz DWYGAYCPYMOWEK-HNNXBMFYSA-N -2 3 329.352 2.655 20 0 EFADHL O=C([O-])c1cccc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)c1 ZINC000681571759 549568642 /nfs/dbraw/zinc/56/86/42/549568642.db2.gz SWZGBMROANFTKJ-UHFFFAOYSA-N -2 3 343.763 2.656 20 0 EFADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc([O-])ccc1Cl ZINC000685696939 550177963 /nfs/dbraw/zinc/17/79/63/550177963.db2.gz XLIZGEYUQUWONA-UHFFFAOYSA-N -2 3 331.715 2.641 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-]CCCCCCC(=O)[O-])cc1F ZINC000760103757 575980525 /nfs/dbraw/zinc/98/05/25/575980525.db2.gz IAVPDJVIUDSLGX-UHFFFAOYSA-N -2 3 335.372 2.587 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2(C(=O)[O-])CCCCC2)c(Cl)cc1F ZINC000760117537 575981544 /nfs/dbraw/zinc/98/15/44/575981544.db2.gz HZCMUQAVGAZFGI-UHFFFAOYSA-N -2 3 349.811 2.853 20 0 EFADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)[C@@H]1C ZINC000761237705 576134666 /nfs/dbraw/zinc/13/46/66/576134666.db2.gz JDLVAICMWBRYFF-KKFJDGPESA-N -2 3 347.383 2.766 20 0 EFADHL CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761238189 576134839 /nfs/dbraw/zinc/13/48/39/576134839.db2.gz LJCOBJZADWMHDY-VIFPVBQESA-N -2 3 335.372 2.766 20 0 EFADHL CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761264123 576137630 /nfs/dbraw/zinc/13/76/30/576137630.db2.gz UDTABKIGFYMABX-ZANVPECISA-N -2 3 347.383 2.910 20 0 EFADHL COC(=O)c1cccc2nc(NC(=O)c3c([O-])cccc3Cl)[n-]c21 ZINC000764941876 576526976 /nfs/dbraw/zinc/52/69/76/576526976.db2.gz ODWCAUZUXIRBBE-UHFFFAOYSA-N -2 3 345.742 2.961 20 0 EFADHL COC(=O)c1cccc2[n-]c(NC(=O)c3c([O-])cccc3Cl)nc21 ZINC000764941876 576526977 /nfs/dbraw/zinc/52/69/77/576526977.db2.gz ODWCAUZUXIRBBE-UHFFFAOYSA-N -2 3 345.742 2.961 20 0 EFADHL Cc1cc(C(=O)[O-])c2c(=O)[n-]c(SCCCOC(C)C)nc2n1 ZINC000738342628 577404074 /nfs/dbraw/zinc/40/40/74/577404074.db2.gz NUDBDYHKWBWNJK-UHFFFAOYSA-N -2 3 337.401 2.644 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)[O-])c2)cc1 ZINC000738063970 577423134 /nfs/dbraw/zinc/42/31/34/577423134.db2.gz NVXZEDQOJTZUKW-UHFFFAOYSA-N -2 3 340.332 2.725 20 0 EFADHL O=C([O-])C[C@@H]1CCCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1 ZINC000819380410 597070446 /nfs/dbraw/zinc/07/04/46/597070446.db2.gz KTJLFEWTFIAVTD-NSHDSACASA-N -2 3 341.367 2.768 20 0 EFADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])cc1C ZINC000818552270 597315831 /nfs/dbraw/zinc/31/58/31/597315831.db2.gz KTQBQELMRQCUOW-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL Cc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)ccc1C(=O)[O-] ZINC000821041774 598154148 /nfs/dbraw/zinc/15/41/48/598154148.db2.gz QFFKNNCUSIETHO-UHFFFAOYSA-N -2 3 327.262 2.820 20 0 EFADHL C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(-c2nn[n-]n2)c1 ZINC000820397532 599553377 /nfs/dbraw/zinc/55/33/77/599553377.db2.gz PUOAUBCQLPZYRD-VIFPVBQESA-N -2 3 343.774 2.717 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2)o1 ZINC000324863691 599767512 /nfs/dbraw/zinc/76/75/12/599767512.db2.gz JHNCLMNVEQYHIS-OAHLLOKOSA-N -2 3 347.348 2.639 20 0 EFADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(CCC(=O)[O-])cc1 ZINC000322936671 599853871 /nfs/dbraw/zinc/85/38/71/599853871.db2.gz PSKGZTSGPOBSTG-UHFFFAOYSA-N -2 3 337.372 2.952 20 0 EFADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000127107128 599981178 /nfs/dbraw/zinc/98/11/78/599981178.db2.gz AHPUZYGCRSZMLB-UHFFFAOYSA-N -2 3 337.800 2.793 20 0 EFADHL O=C([O-])c1occc1COC(=O)c1cccc(Br)c1[O-] ZINC000740297565 600110210 /nfs/dbraw/zinc/11/02/10/600110210.db2.gz RIISMFTUTFMXLM-UHFFFAOYSA-N -2 3 341.113 2.803 20 0 EFADHL O=C([O-])c1coc(C(=O)COC(=O)c2cc(Cl)c(Cl)[n-]2)c1 ZINC000740256475 600140102 /nfs/dbraw/zinc/14/01/02/600140102.db2.gz IBRHTMMINXOCKO-UHFFFAOYSA-N -2 3 332.095 2.652 20 0 EFADHL CN(C(=O)[O-])c1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000737337318 600175546 /nfs/dbraw/zinc/17/55/46/600175546.db2.gz YJVHXCYWVGTJRE-UHFFFAOYSA-N -2 3 338.323 2.702 20 0 EFADHL O=C([O-])c1cc(Cl)cc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC000178256391 600203026 /nfs/dbraw/zinc/20/30/26/600203026.db2.gz VCLIMCXRCRITDJ-UHFFFAOYSA-N -2 3 343.726 2.527 20 0 EFADHL O=C([O-])c1ccc(CO[N-]C(=O)Cc2cccc3ccccc32)o1 ZINC000739345273 600428557 /nfs/dbraw/zinc/42/85/57/600428557.db2.gz PDEFYTFFNRHYIR-UHFFFAOYSA-N -2 3 325.320 2.922 20 0 EFADHL COc1cccc(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1[O-] ZINC000738084557 600483720 /nfs/dbraw/zinc/48/37/20/600483720.db2.gz YWQHRDCKCSJVIQ-UHFFFAOYSA-N -2 3 345.351 2.897 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2cccc(C(=O)[O-])c2)c([O-])c1 ZINC000737154769 600578439 /nfs/dbraw/zinc/57/84/39/600578439.db2.gz BACUHGCZERXKAD-UHFFFAOYSA-N -2 3 329.308 2.519 20 0 EFADHL O=C([O-])c1cc(Cl)cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000740317626 600634662 /nfs/dbraw/zinc/63/46/62/600634662.db2.gz VZJZESHYMMBPBT-ZSOIEALJSA-N -2 3 342.738 2.761 20 0 EFADHL O=C([O-])C[C@H](NC(=O)c1ccc(O)cc1[O-])c1cccc(Cl)c1 ZINC000833200540 600980438 /nfs/dbraw/zinc/98/04/38/600980438.db2.gz UAWIUHRMEIHJAJ-ZDUSSCGKSA-N -2 3 335.743 2.697 20 0 EFADHL CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320226240 600993167 /nfs/dbraw/zinc/99/31/67/600993167.db2.gz UNKDPDBPXSXYPW-GXSJLCMTSA-N -2 3 347.383 2.910 20 0 EFADHL C/C(=C/CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)[O-] ZINC000736122773 601097560 /nfs/dbraw/zinc/09/75/60/601097560.db2.gz YNGRTNCILFBCLB-YFHOEESVSA-N -2 3 342.380 2.644 20 0 EFADHL COc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c([O-])c1 ZINC000832169898 601165459 /nfs/dbraw/zinc/16/54/59/601165459.db2.gz WJHHMOIBWTVXRA-MEDUHNTESA-N -2 3 329.352 2.593 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)cc2)cc1C(=O)[O-] ZINC000833028942 601214832 /nfs/dbraw/zinc/21/48/32/601214832.db2.gz UTNSCGVKTJIFJO-MRVPVSSYSA-N -2 3 343.788 2.979 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]Cc2c(F)cccc2Cl)cc1C(=O)[O-] ZINC000833027428 601219219 /nfs/dbraw/zinc/21/92/19/601219219.db2.gz SYDGOFOTEGQUDW-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000314155976 601227760 /nfs/dbraw/zinc/22/77/60/601227760.db2.gz JKHBJKYHCCYOEW-WCBMZHEXSA-N -2 3 333.356 2.520 20 0 EFADHL C[C@@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000323606749 601232355 /nfs/dbraw/zinc/23/23/55/601232355.db2.gz SCZAMFYWINTXLZ-ZJUUUORDSA-N -2 3 347.383 2.768 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCCC1 ZINC000315968797 601235655 /nfs/dbraw/zinc/23/56/55/601235655.db2.gz MMJPNSZIXDJBTN-QMMMGPOBSA-N -2 3 333.356 2.520 20 0 EFADHL C[C@H](C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)(C)C ZINC000318128333 601236925 /nfs/dbraw/zinc/23/69/25/601236925.db2.gz SGSOSFAQIOQZMT-MRVPVSSYSA-N -2 3 335.372 2.624 20 0 EFADHL CC[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000391285137 601238087 /nfs/dbraw/zinc/23/80/87/601238087.db2.gz OYUDSXFKGJRMJG-VHSXEESVSA-N -2 3 347.383 2.910 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1 ZINC000324049749 601317020 /nfs/dbraw/zinc/31/70/20/601317020.db2.gz UFTNLDJGXWBBKM-XGICHPGQSA-N -2 3 347.392 2.984 20 0 EFADHL O=C([O-])C[C@H](NC(=O)c1ccc(O)cc1[O-])c1ccc(Cl)cc1 ZINC000833265167 601620912 /nfs/dbraw/zinc/62/09/12/601620912.db2.gz VJDFMOMGSTYCEE-ZDUSSCGKSA-N -2 3 335.743 2.697 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2nc(CCCC(=O)[O-])cs2)c1 ZINC000321333350 601743603 /nfs/dbraw/zinc/74/36/03/601743603.db2.gz UYPJHYKEHKZTDY-UHFFFAOYSA-N -2 3 336.369 2.517 20 0 EFADHL C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000828386078 601801029 /nfs/dbraw/zinc/80/10/29/601801029.db2.gz KZAGUZFNJHUJNW-MLGOLLRUSA-N -2 3 341.363 2.977 20 0 EFADHL CC(C)CC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000392112073 601801749 /nfs/dbraw/zinc/80/17/49/601801749.db2.gz VHZHURUEVBDEEK-UHFFFAOYSA-N -2 3 347.383 2.768 20 0 EFADHL CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000388684977 601810133 /nfs/dbraw/zinc/81/01/33/601810133.db2.gz JMVHAYAJIMGOFI-WCBMZHEXSA-N -2 3 333.356 2.520 20 0 EFADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000833295001 601862262 /nfs/dbraw/zinc/86/22/62/601862262.db2.gz QIIRWULAVAUMJL-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL CCOc1cc(-c2nnn[n-]2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000825609669 607534087 /nfs/dbraw/zinc/53/40/87/607534087.db2.gz QJOLCYXZGPJUNZ-UHFFFAOYSA-N -2 3 340.339 2.543 20 0 EFADHL CCOc1cc(-c2nn[n-]n2)ccc1OCc1cccc(C(=O)[O-])c1 ZINC000825609669 607534089 /nfs/dbraw/zinc/53/40/89/607534089.db2.gz QJOLCYXZGPJUNZ-UHFFFAOYSA-N -2 3 340.339 2.543 20 0 EFADHL CCc1cc(=O)[n-]c(CSCC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)n1 ZINC000830224615 601956968 /nfs/dbraw/zinc/95/69/68/601956968.db2.gz RWLIZXNYXYXOCO-UHFFFAOYSA-N -2 3 349.412 2.504 20 0 EFADHL CCCC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000320155497 601958847 /nfs/dbraw/zinc/95/88/47/601958847.db2.gz WNGOUPBSOMWLCW-UHFFFAOYSA-N -2 3 333.356 2.522 20 0 EFADHL C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3ccc(NC(=O)[O-])cc3)ccc2O1 ZINC000736826484 602673375 /nfs/dbraw/zinc/67/33/75/602673375.db2.gz SYHWAEGZIWPGFG-SNVBAGLBSA-N -2 3 348.380 2.901 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C(=O)[O-])c(C)c1 ZINC000833733646 604745943 /nfs/dbraw/zinc/74/59/43/604745943.db2.gz WKTKOTKNOOKMLH-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CC(C)CCCCCC[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833480378 605015476 /nfs/dbraw/zinc/01/54/76/605015476.db2.gz ICYMIAKWZNEJKM-UHFFFAOYSA-N -2 3 334.463 2.726 20 0 EFADHL CC(C)CC[C@@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(C)(C)C ZINC000833480372 605028283 /nfs/dbraw/zinc/02/82/83/605028283.db2.gz HYENPERLFXKLAA-LLVKDONJSA-N -2 3 348.490 2.971 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CCCCC1 ZINC000833459923 605124572 /nfs/dbraw/zinc/12/45/72/605124572.db2.gz QGDKVFVRPWDAMN-UHFFFAOYSA-N -2 3 346.474 2.726 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1)c1ccccc1 ZINC000833457398 605198065 /nfs/dbraw/zinc/19/80/65/605198065.db2.gz YLMVAOZJAXVAHD-UHFFFAOYSA-N -2 3 337.397 2.624 20 0 EFADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000823363611 606197627 /nfs/dbraw/zinc/19/76/27/606197627.db2.gz IYOUBVVXJDIBNF-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc(F)cc(Cl)c1[O-] ZINC000823363611 606197628 /nfs/dbraw/zinc/19/76/28/606197628.db2.gz IYOUBVVXJDIBNF-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C([O-])C=Cc1ccc(NC(=O)c2nnc3ccccc3c2[O-])cc1 ZINC000738557850 1268474919 /nfs/dbraw/zinc/47/49/19/1268474919.db2.gz HHQJDDVGXBBODK-YFHOEESVSA-N -2 3 335.319 2.686 20 0 EFADHL CCCC[C@@H](NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700703516 1269439876 /nfs/dbraw/zinc/43/98/76/1269439876.db2.gz VAFDZLJMPWTGEQ-LLVKDONJSA-N -2 3 330.178 2.528 20 0 EFADHL Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000793348636 1279594860 /nfs/dbraw/zinc/59/48/60/1279594860.db2.gz AMFYADDRNFANOD-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccc(F)cc2)no1 ZINC001134127798 1286354558 /nfs/dbraw/zinc/35/45/58/1286354558.db2.gz DODWMMHASCAPEV-UHFFFAOYSA-N -2 3 341.224 2.870 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccnc(C3CC3)c2)cc1C(=O)[O-] ZINC001184670148 1290485500 /nfs/dbraw/zinc/48/55/00/1290485500.db2.gz NEVIRLWFKSRDBF-UHFFFAOYSA-N -2 3 332.381 2.766 20 0 EFADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1ccc(Cl)nc1 ZINC001185641858 1290732551 /nfs/dbraw/zinc/73/25/51/1290732551.db2.gz GMHJQIDVPYSDDD-UHFFFAOYSA-N -2 3 341.801 2.851 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccnc(C2CC2)c1 ZINC001185878801 1290783732 /nfs/dbraw/zinc/78/37/32/1290783732.db2.gz DSPIXFFBRBLURL-UHFFFAOYSA-N -2 3 332.381 2.766 20 0 EFADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)c1 ZINC001189232441 1291626198 /nfs/dbraw/zinc/62/61/98/1291626198.db2.gz MENHJTLOWRTUSM-UHFFFAOYSA-N -2 3 327.308 2.674 20 0 EFADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)Cc1ccc(F)cc1F ZINC001189825175 1291883258 /nfs/dbraw/zinc/88/32/58/1291883258.db2.gz ZVBYMWYFAZWGDW-UHFFFAOYSA-N -2 3 341.335 2.815 20 0 EFADHL CCCCNC(=O)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21 ZINC001190615284 1292226672 /nfs/dbraw/zinc/22/66/72/1292226672.db2.gz QSRGVBDJZDQIBE-UHFFFAOYSA-N -2 3 338.385 2.714 20 0 EFADHL CCOC(=O)c1cnc(NC(=O)c2ccc(C(C)(C)C)cc2[O-])[n-]1 ZINC001192314835 1292867024 /nfs/dbraw/zinc/86/70/24/1292867024.db2.gz UIUMNXPGABJGRN-UHFFFAOYSA-N -2 3 331.372 2.842 20 0 EFADHL CC(C)N(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193255326 1293216434 /nfs/dbraw/zinc/21/64/34/1293216434.db2.gz UWUDUDNBQNQFCC-UHFFFAOYSA-N -2 3 348.424 2.673 20 0 EFADHL COc1ccnc(C(=O)Nc2cccc(C(F)(F)F)c2[O-])c1[O-] ZINC001193531982 1293328202 /nfs/dbraw/zinc/32/82/02/1293328202.db2.gz OZZMPZFXWYNKQO-UHFFFAOYSA-N -2 3 328.246 2.773 20 0 EFADHL O=C(Nc1ncc([O-])cc1Br)c1ccc(F)c([O-])c1F ZINC001193768468 1293441485 /nfs/dbraw/zinc/44/14/85/1293441485.db2.gz GPOPOXHMLILXNB-UHFFFAOYSA-N -2 3 345.099 2.786 20 0 EFADHL O=S(=O)([N-]c1ccc(F)c([O-])c1)c1ncccc1C(F)(F)F ZINC001194568697 1293671957 /nfs/dbraw/zinc/67/19/57/1293671957.db2.gz LTDWWMNBXZVXLL-UHFFFAOYSA-N -2 3 336.266 2.746 20 0 EFADHL O=C(NCCCCP(=O)([O-])[O-])Oc1ccccc1C(F)(F)F ZINC001195211660 1293851966 /nfs/dbraw/zinc/85/19/66/1293851966.db2.gz YYPUXELCGIFBIC-UHFFFAOYSA-N -2 3 341.222 2.752 20 0 EFADHL O=S(=O)(Cc1cccnc1)[N-]c1ccc(C(F)(F)F)cc1[O-] ZINC001197457844 1294571151 /nfs/dbraw/zinc/57/11/51/1294571151.db2.gz LKSMYIPKOBCRGI-UHFFFAOYSA-N -2 3 332.303 2.748 20 0 EFADHL COC(=O)c1cccc2[n-]c(NC(=O)c3cccc(Cl)c3[O-])nc21 ZINC000775782040 1294680295 /nfs/dbraw/zinc/68/02/95/1294680295.db2.gz ARCIOKFDFFEBBX-UHFFFAOYSA-N -2 3 345.742 2.961 20 0 EFADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1cccc(Cl)n1 ZINC001198189133 1294932336 /nfs/dbraw/zinc/93/23/36/1294932336.db2.gz SIZLFRATSPNTTQ-UHFFFAOYSA-N -2 3 341.801 2.851 20 0 EFADHL O=C(Nc1nc(Br)ccc1[O-])c1ccc([O-])cc1F ZINC000121530120 1295540565 /nfs/dbraw/zinc/54/05/65/1295540565.db2.gz NAWJXQHNYUHPBU-UHFFFAOYSA-N -2 3 327.109 2.647 20 0 EFADHL CN(Cc1ccc(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)nc1)C1CC1 ZINC001242160204 1314186338 /nfs/dbraw/zinc/18/63/38/1314186338.db2.gz GEBQAWLXBLITFF-UHFFFAOYSA-N -2 3 326.352 2.739 20 0 EFADHL O=C(Nc1ccc2[n-]c(=S)oc2c1)c1cc(F)cc2n[n-]nc21 ZINC000800515899 1308023565 /nfs/dbraw/zinc/02/35/65/1308023565.db2.gz HYRFEUGINDNTBJ-UHFFFAOYSA-N -2 3 329.316 2.779 20 0 EFADHL COc1ccc(-c2nnn[n-]2)cc1-c1cc(Cl)cc(C(=O)[O-])c1 ZINC001243326840 1314279789 /nfs/dbraw/zinc/27/97/89/1314279789.db2.gz RCKKKQLWSCYLFN-UHFFFAOYSA-N -2 3 330.731 2.894 20 0 EFADHL COc1ccc(-c2nn[n-]n2)cc1-c1cc(Cl)cc(C(=O)[O-])c1 ZINC001243326840 1314279790 /nfs/dbraw/zinc/27/97/90/1314279790.db2.gz RCKKKQLWSCYLFN-UHFFFAOYSA-N -2 3 330.731 2.894 20 0 EFADHL COC(=O)c1nc2nc(-c3cc(C(=O)[O-])c(Cl)cc3F)ccc2[n-]1 ZINC001244611648 1314394854 /nfs/dbraw/zinc/39/48/54/1314394854.db2.gz FDRXJUWDZXKVCV-UHFFFAOYSA-N -2 3 349.705 2.902 20 0 EFADHL COC(=O)c1nc2ccc(-c3cc(C(=O)[O-])c(Cl)cc3F)[n-]c-2n1 ZINC001244611648 1314394857 /nfs/dbraw/zinc/39/48/57/1314394857.db2.gz FDRXJUWDZXKVCV-UHFFFAOYSA-N -2 3 349.705 2.902 20 0 EFADHL C[C@H](OCCP(=O)([O-])[O-])c1cc(Br)ccc1F ZINC001224606740 1311412409 /nfs/dbraw/zinc/41/24/09/1311412409.db2.gz RMKXKXVYOPOIHX-ZETCQYMHSA-N -2 3 327.086 2.844 20 0 EFADHL O=P([O-])([O-])CCCCO[C@@H]1Cc2ccc(Br)cc2C1 ZINC001225023685 1311465619 /nfs/dbraw/zinc/46/56/19/1311465619.db2.gz ZRQYAJLHRUKYTN-CYBMUJFWSA-N -2 3 349.161 2.891 20 0 EFADHL COc1ccc([C@H](C)Oc2nc3ncnc-3c([S-])[n-]2)cc1OC ZINC001226785529 1311723081 /nfs/dbraw/zinc/72/30/81/1311723081.db2.gz MRJLBEIMXNIJLE-QMMMGPOBSA-N -2 3 332.385 2.799 20 0 EFADHL C[C@H]1CC[C@H](Oc2[n-]c(=O)nc3nc(Br)[n-]c32)CC1 ZINC001227593978 1311825797 /nfs/dbraw/zinc/82/57/97/1311825797.db2.gz JSXLDIYTBCWARN-LJGSYFOKSA-N -2 3 327.182 2.779 20 0 EFADHL C[C@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)C1CCCC1 ZINC001227595600 1311826674 /nfs/dbraw/zinc/82/66/74/1311826674.db2.gz BALGLDGRAVFBDM-LURJTMIESA-N -2 3 327.182 2.779 20 0 EFADHL C[C@H]1C[C@H](Oc2cc([O-])ccc2C(=O)c2ccc(O)cc2[O-])CCO1 ZINC001228121580 1311902761 /nfs/dbraw/zinc/90/27/61/1311902761.db2.gz FKDVZNSJJSRKDO-SMDDNHRTSA-N -2 3 344.363 2.981 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1OC[C@H]1CCCCO1 ZINC001228123078 1311903321 /nfs/dbraw/zinc/90/33/21/1311903321.db2.gz QYZZKQYNULSANZ-CQSZACIVSA-N -2 3 344.363 2.982 20 0 EFADHL O=C([O-])CC[C@@H](O)C(=O)Oc1cc([O-])cc(/C=C/c2ccccc2)c1 ZINC001229670088 1312122554 /nfs/dbraw/zinc/12/25/54/1312122554.db2.gz HDPOAGKUIPRVAS-DKRLNXSXSA-N -2 3 342.347 2.694 20 0 EFADHL COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C(=O)[O-])cc1Cl ZINC001245374610 1314479419 /nfs/dbraw/zinc/47/94/19/1314479419.db2.gz WNQIQWVWNFMKFA-UHFFFAOYSA-N -2 3 330.731 2.894 20 0 EFADHL COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C(=O)[O-])cc1Cl ZINC001245374610 1314479421 /nfs/dbraw/zinc/47/94/21/1314479421.db2.gz WNQIQWVWNFMKFA-UHFFFAOYSA-N -2 3 330.731 2.894 20 0 EFADHL CN(C)c1nc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc(=O)[n-]1 ZINC001211481271 1314507696 /nfs/dbraw/zinc/50/76/96/1314507696.db2.gz BWWXDGQJYRUYBN-UHFFFAOYSA-N -2 3 342.277 2.709 20 0 EFADHL O=C([O-])CNC(=O)c1ccc(Nc2c(Cl)ccc([O-])c2F)cc1 ZINC001214564632 1314708559 /nfs/dbraw/zinc/70/85/59/1314708559.db2.gz JCFOMLXDVDLPAD-UHFFFAOYSA-N -2 3 338.722 2.743 20 0 EFADHL Nc1ccccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])c(Cl)cc1F ZINC001214748016 1314734895 /nfs/dbraw/zinc/73/48/95/1314734895.db2.gz IKISTDWMIFUARK-UHFFFAOYSA-N -2 3 344.751 2.560 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cc(C)c(C(=O)[O-])c(C)c2)cc1N ZINC001216311095 1314938998 /nfs/dbraw/zinc/93/89/98/1314938998.db2.gz CXZACIICKXXMIQ-UHFFFAOYSA-N -2 3 334.397 2.693 20 0 EFADHL CCCCS(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001253871175 1315648984 /nfs/dbraw/zinc/64/89/84/1315648984.db2.gz KGKHIHFMDBOMJE-UHFFFAOYSA-N -2 3 329.418 2.889 20 0 EFADHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(Cl)c(Cl)s1 ZINC001257443164 1316065740 /nfs/dbraw/zinc/06/57/40/1316065740.db2.gz TXYCMDCYCCAIPG-UHFFFAOYSA-N -2 3 325.198 2.956 20 0 EFADHL COc1cccc(S(=O)(=O)[N-]c2cc([O-])c(Cl)cc2F)c1 ZINC001259189016 1316217444 /nfs/dbraw/zinc/21/74/44/1316217444.db2.gz GAJNLRGJGDXPQS-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL O=S(=O)(CCc1ccccc1)[N-]c1nc2c(cccc2[O-])s1 ZINC001259732511 1316269577 /nfs/dbraw/zinc/26/95/77/1316269577.db2.gz VANOONDGXUJWKC-UHFFFAOYSA-N -2 3 334.422 2.986 20 0 EFADHL CC(=O)c1cccc([N-]S(=O)(=O)CCc2ccc(F)cc2)c1[O-] ZINC001259760430 1316273915 /nfs/dbraw/zinc/27/39/15/1316273915.db2.gz DBGGUWBZLOUXNM-UHFFFAOYSA-N -2 3 337.372 2.718 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-n3cccc3)cc2)c1 ZINC001260182547 1316320703 /nfs/dbraw/zinc/32/07/03/1316320703.db2.gz HAMMMTDYUKMMJA-UHFFFAOYSA-N -2 3 342.376 2.976 20 0 EFADHL COc1cc(C)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(C)c1 ZINC001260189820 1316321720 /nfs/dbraw/zinc/32/17/20/1316321720.db2.gz IWLALKDVUBLXJG-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL COc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC001260228051 1316324882 /nfs/dbraw/zinc/32/48/82/1316324882.db2.gz VTUJFGKNXIPIII-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL Cc1cc(Cl)cc(Cl)c1NC(=S)NCCP(=O)([O-])[O-] ZINC001200825430 1334613820 /nfs/dbraw/zinc/61/38/20/1334613820.db2.gz RDXKDVCTPWCVPM-UHFFFAOYSA-N -2 3 343.172 2.766 20 0 EFADHL CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Cl)c([O-])c1 ZINC001361630031 1336230722 /nfs/dbraw/zinc/23/07/22/1336230722.db2.gz VGDIKNSIMCJYTB-UHFFFAOYSA-N -2 3 340.788 2.669 20 0 EFADHL CC(C)(C)OC(=O)c1cc(NC(=O)c2cc(F)cc(F)c2[O-])[n-]n1 ZINC001418161678 1373707932 /nfs/dbraw/zinc/70/79/32/1373707932.db2.gz NQBTXWMLLHOSPG-UHFFFAOYSA-N -2 3 339.298 2.601 20 0 EFADHL CCOC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2[O-])[n-]n1 ZINC001466589854 1396763581 /nfs/dbraw/zinc/76/35/81/1396763581.db2.gz FUDILHDVDBPSDE-UHFFFAOYSA-N -2 3 343.261 2.563 20 0 EFADHL Cc1nc(C2CCCCC2)sc1C(=O)NCc1nc([O-])cc(=O)[n-]1 ZINC001470583297 1397100561 /nfs/dbraw/zinc/10/05/61/1397100561.db2.gz WOUWTTCVBNXIKD-UHFFFAOYSA-N -2 3 348.428 2.630 20 0 EFADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2nn[n-]n2)c1 ZINC000152776817 1424071367 /nfs/dbraw/zinc/07/13/67/1424071367.db2.gz YFROMAWWHQTXAP-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000152776817 1424071371 /nfs/dbraw/zinc/07/13/71/1424071371.db2.gz YFROMAWWHQTXAP-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL C[C@H]1C[C@H]1c1ccc(CCC(=O)[N-]c2ncc(-c3nn[n-]n3)s2)o1 ZINC000820674001 1426636963 /nfs/dbraw/zinc/63/69/63/1426636963.db2.gz AKZDITXTVHDXEM-WCBMZHEXSA-N -2 3 344.400 2.611 20 0 EFADHL C[C@H]1C[C@H]1c1ccc(CCC(=O)[N-]c2ncc(-c3nnn[n-]3)s2)o1 ZINC000820674001 1426636965 /nfs/dbraw/zinc/63/69/65/1426636965.db2.gz AKZDITXTVHDXEM-WCBMZHEXSA-N -2 3 344.400 2.611 20 0 EFADHL Cc1cnc([N-]C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)s1 ZINC000822395184 1442076661 /nfs/dbraw/zinc/07/66/61/1442076661.db2.gz VIJRGXYBGSOZNW-VIFPVBQESA-N -2 3 329.389 2.514 20 0 EFADHL Cc1cnc([N-]C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)s1 ZINC000822395184 1442076667 /nfs/dbraw/zinc/07/66/67/1442076667.db2.gz VIJRGXYBGSOZNW-VIFPVBQESA-N -2 3 329.389 2.514 20 0 EFADHL CSCCC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826228385 1442174952 /nfs/dbraw/zinc/17/49/52/1442174952.db2.gz NGNATAHJTGXDMF-UHFFFAOYSA-N -2 3 346.441 2.682 20 0 EFADHL CSCCC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826228385 1442174957 /nfs/dbraw/zinc/17/49/57/1442174957.db2.gz NGNATAHJTGXDMF-UHFFFAOYSA-N -2 3 346.441 2.682 20 0 EFADHL CC(C)(CC(=O)[N-]c1ncc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000819976166 1443418208 /nfs/dbraw/zinc/41/82/08/1443418208.db2.gz PBDQITLBAMKLDR-UHFFFAOYSA-N -2 3 328.401 2.630 20 0 EFADHL CC(C)(CC(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000819976166 1443418212 /nfs/dbraw/zinc/41/82/12/1443418212.db2.gz PBDQITLBAMKLDR-UHFFFAOYSA-N -2 3 328.401 2.630 20 0 EFADHL [O-]c1ccc(CNCc2ccc(-c3nn[n-]n3)cc2F)cc1Cl ZINC000738400438 1443627572 /nfs/dbraw/zinc/62/75/72/1443627572.db2.gz HHJAASFKWRGUBU-UHFFFAOYSA-N -2 3 333.754 2.655 20 0 EFADHL CCCc1cc(=O)[n-]c(SCc2ccc(F)cc2-c2nn[n-]n2)n1 ZINC000736496234 1443946166 /nfs/dbraw/zinc/94/61/66/1443946166.db2.gz ASTWLWSZQNCKRX-UHFFFAOYSA-N -2 3 346.391 2.746 20 0 EFADHL CCCc1cc(=O)[n-]c(SCc2ccc(F)cc2-c2nnn[n-]2)n1 ZINC000736496234 1443946169 /nfs/dbraw/zinc/94/61/69/1443946169.db2.gz ASTWLWSZQNCKRX-UHFFFAOYSA-N -2 3 346.391 2.746 20 0 EFADHL C[C@H](CC(=O)[N-]c1ncc(-c2nn[n-]n2)s1)c1cccc(F)c1 ZINC000820225860 1450497548 /nfs/dbraw/zinc/49/75/48/1450497548.db2.gz QVBWOXDESAAGOG-MRVPVSSYSA-N -2 3 332.364 2.595 20 0 EFADHL C[C@H](CC(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1cccc(F)c1 ZINC000820225860 1450497550 /nfs/dbraw/zinc/49/75/50/1450497550.db2.gz QVBWOXDESAAGOG-MRVPVSSYSA-N -2 3 332.364 2.595 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C1CCCCC1 ZINC000318324112 718929426 /nfs/dbraw/zinc/92/94/26/718929426.db2.gz WRWIAQDBBPSWSP-CYBMUJFWSA-N -2 3 349.811 2.791 20 0 EFADHL O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)Cc1ccc([O-])c(F)c1 ZINC000909539549 723552123 /nfs/dbraw/zinc/55/21/23/723552123.db2.gz ZQBAEENMPIPMDA-OAHLLOKOSA-N -2 3 345.370 2.666 20 0 EFADHL C[C@@H](CN(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000908837360 727270859 /nfs/dbraw/zinc/27/08/59/727270859.db2.gz PXEKHVJMARQODM-ZDUSSCGKSA-N -2 3 345.370 2.823 20 0 EFADHL CC(C)C[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909291729 727356540 /nfs/dbraw/zinc/35/65/40/727356540.db2.gz KVPPEIUYFWMQRZ-ZDUSSCGKSA-N -2 3 325.380 2.717 20 0 EFADHL O=C([O-])Cc1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC000910197108 727417261 /nfs/dbraw/zinc/41/72/61/727417261.db2.gz YGCFPLBAMPFHLX-UHFFFAOYSA-N -2 3 345.370 2.798 20 0 EFADHL CC(=O)c1ccc(C(=O)N(CC(C)C)CC(C)(C)C(=O)[O-])cc1[O-] ZINC000910507635 727448533 /nfs/dbraw/zinc/44/85/33/727448533.db2.gz PGSVWQLHEMNLMC-UHFFFAOYSA-N -2 3 335.400 2.804 20 0 EFADHL O=C([O-])[C@H]1CN(C(=O)c2cc([O-])ccc2Cl)c2ccccc2O1 ZINC000323690264 971029638 /nfs/dbraw/zinc/02/96/38/971029638.db2.gz IYIXBDZNGAWUBB-CQSZACIVSA-N -2 3 333.727 2.538 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(CC(=O)[O-])c1 ZINC000324852648 971163302 /nfs/dbraw/zinc/16/33/02/971163302.db2.gz MMMROZWZKYRSIJ-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@@H](C2CC2)C2CCC2)c1F ZINC000325130185 971189405 /nfs/dbraw/zinc/18/94/05/971189405.db2.gz JLDJDAGXGLIIAL-CQSZACIVSA-N -2 3 345.367 2.520 20 0 EFADHL O=C([O-])c1cc(C(=O)[N-]c2cc(Br)c(F)cc2F)on1 ZINC000381890028 971785993 /nfs/dbraw/zinc/78/59/93/971785993.db2.gz JIHWARYWIQCLES-UHFFFAOYSA-N -2 3 347.071 2.666 20 0 EFADHL CCc1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)c([O-])c1 ZINC001593635241 953606195 /nfs/dbraw/zinc/60/61/95/953606195.db2.gz IVCJUDCMMBFVBU-CVEARBPZSA-N -2 3 325.364 2.998 20 0 EFADHL O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001594794829 953706443 /nfs/dbraw/zinc/70/64/43/953706443.db2.gz ZOUMKDIAZFXZBE-IYBDPMFKSA-N -2 3 339.391 2.770 20 0 EFADHL C[C@H](NC(=O)c1cc([O-])ccc1Cl)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589115286 956090600 /nfs/dbraw/zinc/09/06/00/956090600.db2.gz QOKDYDGYLIBHGJ-KPXOXKRLSA-N -2 3 325.792 2.911 20 0 EFADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC001589220074 956763227 /nfs/dbraw/zinc/76/32/27/956763227.db2.gz UYUWNHGZVFTRNT-ZDUSSCGKSA-N -2 3 328.162 2.594 20 0 EFADHL Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000013345523 957031388 /nfs/dbraw/zinc/03/13/88/957031388.db2.gz ZGBRWAMJFFWTMI-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)ccc1O ZINC000013345819 957033423 /nfs/dbraw/zinc/03/34/23/957033423.db2.gz HHWUEFSFQVBSSR-UHFFFAOYSA-N -2 3 345.735 2.684 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCCCC23CCCC3)o1 ZINC000389993547 972259890 /nfs/dbraw/zinc/25/98/90/972259890.db2.gz NXAFFFUAZODDJU-GFCCVEGCSA-N -2 3 327.402 2.759 20 0 EFADHL Cc1cc(C(F)(F)C(=O)[N-]C2(C(=O)[O-])CCCC2)cnc1Cl ZINC001594289931 957823555 /nfs/dbraw/zinc/82/35/55/957823555.db2.gz LQWWXXWUZZFLJK-UHFFFAOYSA-N -2 3 332.734 2.649 20 0 EFADHL CC1(C)CCC[C@@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000391343149 972329651 /nfs/dbraw/zinc/32/96/51/972329651.db2.gz DTQKFDIZMZWHJH-SECBINFHSA-N -2 3 347.383 2.910 20 0 EFADHL C[C@H](CC(=O)[O-])NC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC001573575744 959326306 /nfs/dbraw/zinc/32/63/06/959326306.db2.gz YIEDQMLFXNIJRY-CYBMUJFWSA-N -2 3 327.380 2.770 20 0 EFADHL CC(C)(C(=O)[O-])n1ccc(NC(=O)c2cc([O-])c3ccccc3c2)n1 ZINC001588627432 959592863 /nfs/dbraw/zinc/59/28/63/959592863.db2.gz PUFZINKTZMZVAF-UHFFFAOYSA-N -2 3 339.351 2.814 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]Cc2ccccc2)c(F)cc1Cl ZINC001259212540 960662930 /nfs/dbraw/zinc/66/29/30/960662930.db2.gz QYLVBNIWLACMPX-UHFFFAOYSA-N -2 3 343.763 2.656 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCCCC2)c(F)cc1Cl ZINC001259212774 960665728 /nfs/dbraw/zinc/66/57/28/960665728.db2.gz YDYLKRXIMZNYBM-UHFFFAOYSA-N -2 3 335.784 2.788 20 0 EFADHL CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259222197 960685229 /nfs/dbraw/zinc/68/52/29/960685229.db2.gz LWFKZWIWUTZLMA-QMMMGPOBSA-N -2 3 337.800 2.890 20 0 EFADHL O=C([O-])[C@H](NCc1ccc([O-])c(F)c1F)c1ccc2c(c1)CCO2 ZINC001571227615 962600635 /nfs/dbraw/zinc/60/06/35/962600635.db2.gz BHMJDWUYJVHVOY-MRXNPFEDSA-N -2 3 335.306 2.521 20 0 EFADHL O=C([O-])CC1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCCC1 ZINC000315251960 963870285 /nfs/dbraw/zinc/87/02/85/963870285.db2.gz KOHJWZRXEYUDBM-UHFFFAOYSA-N -2 3 349.811 2.935 20 0 EFADHL CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000316966964 964082319 /nfs/dbraw/zinc/08/23/19/964082319.db2.gz ZFUPGWGNXFBZMS-ZJUUUORDSA-N -2 3 346.474 2.725 20 0 EFADHL O=C([O-])c1c[nH]nc1NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001574609453 969866717 /nfs/dbraw/zinc/86/67/17/969866717.db2.gz UFABMMAYTBFDGW-UHFFFAOYSA-N -2 3 339.307 2.858 20 0 EFADHL Cc1ccoc1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000319266043 970519522 /nfs/dbraw/zinc/51/95/22/970519522.db2.gz FCNGMCAZZHVLCB-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C[C@H]1C ZINC000321323073 970761567 /nfs/dbraw/zinc/76/15/67/970761567.db2.gz OQKNOOUMZGBINS-BBBLOLIVSA-N -2 3 347.383 2.766 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)c(=O)[n-]1 ZINC000396654452 972930894 /nfs/dbraw/zinc/93/08/94/972930894.db2.gz VMUQBHJDNGYVIR-JTQLQIEISA-N -2 3 343.383 2.558 20 0 EFADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c1 ZINC000398199091 973081301 /nfs/dbraw/zinc/08/13/01/973081301.db2.gz OYORWAFBGQUBKW-JTQLQIEISA-N -2 3 339.747 2.504 20 0 EFADHL Cc1cccc([C@H](NCc2nnc(-c3ccccc3[O-])o2)C(=O)[O-])c1 ZINC001605328459 973183275 /nfs/dbraw/zinc/18/32/75/973183275.db2.gz AGMVYZFRSHZUPT-INIZCTEOSA-N -2 3 339.351 2.666 20 0 EFADHL CC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000400472362 973285477 /nfs/dbraw/zinc/28/54/77/973285477.db2.gz UBXDSVYOXDZPCH-KWQFWETISA-N -2 3 337.800 2.647 20 0 EFADHL O=C([O-])CCCSc1nc2c(cnn2Cc2ccccc2)c(=O)[n-]1 ZINC001606182882 973430591 /nfs/dbraw/zinc/43/05/91/973430591.db2.gz HEUZETGCXWUTSO-UHFFFAOYSA-N -2 3 344.396 2.537 20 0 EFADHL CCC(CC)(C(=O)[O-])C(=O)Nc1ccc(Br)cc1[O-] ZINC001603526068 973566506 /nfs/dbraw/zinc/56/65/06/973566506.db2.gz URCGXZHPDJZDRO-UHFFFAOYSA-N -2 3 330.178 2.984 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@H](CC2CCOCC2)C(=O)[O-])c([O-])c1 ZINC001591942702 976472943 /nfs/dbraw/zinc/47/29/43/976472943.db2.gz ZBZOTEJVMJUUMJ-OAHLLOKOSA-N -2 3 335.400 2.515 20 0 EFADHL O=C([O-])CCCc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1 ZINC000739708201 978651538 /nfs/dbraw/zinc/65/15/38/978651538.db2.gz NVJKADIEBKCLOM-UHFFFAOYSA-N -2 3 343.767 2.990 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)cc1O ZINC000793400406 978807186 /nfs/dbraw/zinc/80/71/86/978807186.db2.gz JDFCFJYQZVAEBJ-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL C[C@]1([N-]S(=O)(=O)c2cccc(Cl)c2F)CCCC[C@@H]1C(=O)[O-] ZINC000833571036 979206253 /nfs/dbraw/zinc/20/62/53/979206253.db2.gz JTEPNZRKXVVAMH-OTYXRUKQSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001592896940 979799991 /nfs/dbraw/zinc/79/99/91/979799991.db2.gz XXYNVGPLWGZDQG-SECBINFHSA-N -2 3 343.788 2.541 20 0 EFADHL CCC1(CC)CCC([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001595374675 980887400 /nfs/dbraw/zinc/88/74/00/980887400.db2.gz OCBHFOQQMBHXQU-UHFFFAOYSA-N -2 3 346.474 2.869 20 0 EFADHL CCCCOc1ccc(C(=O)NC[C@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC001595777318 982546642 /nfs/dbraw/zinc/54/66/42/982546642.db2.gz RHEXTSUXSQUOIN-ZDUSSCGKSA-N -2 3 335.400 2.802 20 0 EFADHL C=Cc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2C(=O)[O-])cc1 ZINC001588921675 984579648 /nfs/dbraw/zinc/57/96/48/984579648.db2.gz IPQPYDMKRJJIBM-UHFFFAOYSA-N -2 3 333.365 2.837 20 0 EFADHL CC(=O)c1ccc(C(=O)N(C)Cc2ccc(C(=O)[O-])cc2)cc1[O-] ZINC001589273375 985974353 /nfs/dbraw/zinc/97/43/53/985974353.db2.gz BRBAHSQSVLRJAS-UHFFFAOYSA-N -2 3 327.336 2.565 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(C)c2)cc1[O-] ZINC001589276227 985988383 /nfs/dbraw/zinc/98/83/83/985988383.db2.gz SCIKIBXEOKHRQB-INIZCTEOSA-N -2 3 341.363 2.849 20 0 EFADHL Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1CC[C@H]1C(=O)[O-] ZINC001599970766 986001453 /nfs/dbraw/zinc/00/14/53/986001453.db2.gz BZJDZKLRROOQSJ-JGVFFNPUSA-N -2 3 328.162 2.512 20 0 EFADHL CC(=O)c1ccc(C(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1[O-] ZINC001589279870 986006551 /nfs/dbraw/zinc/00/65/51/986006551.db2.gz ZWTMYHLKIAJCLQ-UHFFFAOYSA-N -2 3 348.380 2.711 20 0 EFADHL C[C@H](C(=O)[O-])N(C(=O)c1cc([O-])cc(Br)c1)C1CCC1 ZINC001589477745 986987396 /nfs/dbraw/zinc/98/73/96/986987396.db2.gz TZUNUNSMORJOCW-MRVPVSSYSA-N -2 3 342.189 2.623 20 0 EFADHL CC(C)(C(=O)[O-])c1csc([N-]C(=O)c2conc2C(F)(F)F)n1 ZINC001589656904 987624588 /nfs/dbraw/zinc/62/45/88/987624588.db2.gz DISCNZVFLWYKLO-UHFFFAOYSA-N -2 3 349.290 2.764 20 0 EFADHL CCc1ccc(C(=O)N2CCOc3ccccc3[C@@H]2C(=O)[O-])c([O-])c1 ZINC001597499973 988052157 /nfs/dbraw/zinc/05/21/57/988052157.db2.gz AXZSWVLJKLEZHX-QGZVFWFLSA-N -2 3 341.363 2.615 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)c1 ZINC001597556529 988289753 /nfs/dbraw/zinc/28/97/53/988289753.db2.gz QCOGBRXDPBEPCW-UHFFFAOYSA-N -2 3 345.351 2.922 20 0 EFADHL CCc1cccc(C(=O)N2CCc3cc(C(=O)[O-])ccc3C2)c1[O-] ZINC001597570670 988349333 /nfs/dbraw/zinc/34/93/33/988349333.db2.gz XIJCGQQYIPRAIA-UHFFFAOYSA-N -2 3 325.364 2.851 20 0 EFADHL CSc1ccccc1[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001599825381 988590951 /nfs/dbraw/zinc/59/09/51/988590951.db2.gz VVOCGSALTFCVTD-UHFFFAOYSA-N -2 3 329.443 2.795 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc([C@@H](C)C(=O)[O-])c1 ZINC001599827583 988621100 /nfs/dbraw/zinc/62/11/00/988621100.db2.gz PIJQGVZZIQRRHN-MRVPVSSYSA-N -2 3 347.396 2.653 20 0 EFADHL CCc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC001597792101 989328858 /nfs/dbraw/zinc/32/88/58/989328858.db2.gz XMWVBJSZQXNGNL-UHFFFAOYSA-N -2 3 329.761 2.994 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1csnc1C(=O)[O-])C1=CCCCC1 ZINC001590774289 990577098 /nfs/dbraw/zinc/57/70/98/990577098.db2.gz OGTZSIVTBUZJNL-UHFFFAOYSA-N -2 3 344.458 2.646 20 0 EFADHL C[C@@H](c1ccc(F)cc1F)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593698259 996162454 /nfs/dbraw/zinc/16/24/54/996162454.db2.gz VEDKCCVVSKKZLC-HKZOZPGBSA-N -2 3 339.338 2.523 20 0 EFADHL C[C@H](c1ccc(F)cc1F)N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593698261 996162714 /nfs/dbraw/zinc/16/27/14/996162714.db2.gz VEDKCCVVSKKZLC-YWHRXPLCSA-N -2 3 339.338 2.523 20 0 EFADHL COCc1cc([N-]S(=O)(=O)c2ccc(C)cc2C)cc(C(=O)[O-])c1 ZINC001599289337 997037134 /nfs/dbraw/zinc/03/71/34/997037134.db2.gz JZFJCTLGDXRYAU-UHFFFAOYSA-N -2 3 349.408 2.949 20 0 EFADHL COc1ccc([C@@H](NC(=O)c2ccc(C)cc2[O-])C(=O)[O-])cc1Cl ZINC001599523692 997524203 /nfs/dbraw/zinc/52/42/03/997524203.db2.gz IWJQLHASRLABFB-OAHLLOKOSA-N -2 3 349.770 2.918 20 0 EFADHL COc1ccc([C@@H](NC(=O)c2cc(SC)ccc2[O-])C(=O)[O-])cc1 ZINC001599524201 997531430 /nfs/dbraw/zinc/53/14/30/997531430.db2.gz GWLMRRSAFIHVPN-OAHLLOKOSA-N -2 3 347.392 2.678 20 0 EFADHL C[C@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC=CCC1 ZINC001594061739 997855004 /nfs/dbraw/zinc/85/50/04/997855004.db2.gz MENWHUOIGWABFK-AWEZNQCLSA-N -2 3 347.795 2.954 20 0 EFADHL COC(=O)c1ccc(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)[n-]1 ZINC001598958789 998293785 /nfs/dbraw/zinc/29/37/85/998293785.db2.gz RDFAMJOQKBLZFY-UHFFFAOYSA-N -2 3 340.694 2.544 20 0 EFADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1cc(C)sc1C(=O)[O-] ZINC001599042680 999128817 /nfs/dbraw/zinc/12/88/17/999128817.db2.gz CRNWMMCOGLVWQN-SNVBAGLBSA-N -2 3 335.447 2.558 20 0 EFADHL CC(C)=C[C@@H]1[C@H](C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)C1(C)C ZINC001573942109 1087912870 /nfs/dbraw/zinc/91/28/70/1087912870.db2.gz LKABNQHETNRMSK-ZIAGYGMSSA-N -2 3 327.388 2.515 20 0 EFADHL CC(C)=C[C@@H]1[C@H](C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)C1(C)C ZINC001573942109 1087912885 /nfs/dbraw/zinc/91/28/85/1087912885.db2.gz LKABNQHETNRMSK-ZIAGYGMSSA-N -2 3 327.388 2.515 20 0 EFADHL Cc1csc(NC(=O)c2cccc(Cl)c2[O-])c1-c1nnn[n-]1 ZINC001581386721 1091135768 /nfs/dbraw/zinc/13/57/68/1091135768.db2.gz BKILMVYKTILECV-UHFFFAOYSA-N -2 3 335.776 2.848 20 0 EFADHL Cc1csc(NC(=O)c2cccc(Cl)c2[O-])c1-c1nn[n-]n1 ZINC001581386721 1091135775 /nfs/dbraw/zinc/13/57/75/1091135775.db2.gz BKILMVYKTILECV-UHFFFAOYSA-N -2 3 335.776 2.848 20 0 EFADHL O=C(Cc1ccc2ccccc2c1)[N-]Oc1cccc(-c2nnn[n-]2)c1 ZINC001582143779 1091389075 /nfs/dbraw/zinc/38/90/75/1091389075.db2.gz YGTWCYAKJDBJDF-UHFFFAOYSA-N -2 3 345.362 2.673 20 0 EFADHL O=C(Cc1ccc2ccccc2c1)[N-]Oc1cccc(-c2nn[n-]n2)c1 ZINC001582143779 1091389085 /nfs/dbraw/zinc/38/90/85/1091389085.db2.gz YGTWCYAKJDBJDF-UHFFFAOYSA-N -2 3 345.362 2.673 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccsc1-c1nnn[n-]1 ZINC001582635612 1091593753 /nfs/dbraw/zinc/59/37/53/1091593753.db2.gz MWHRDOAILAHHSR-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1ccsc1-c1nn[n-]n1 ZINC001582635612 1091593756 /nfs/dbraw/zinc/59/37/56/1091593756.db2.gz MWHRDOAILAHHSR-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL CC(=Cc1ccc(Cl)s1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588770397 1092988648 /nfs/dbraw/zinc/98/86/48/1092988648.db2.gz LSXICHBZNGZALW-WAYWQWQTSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1ccc(Cl)s1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588770397 1092988658 /nfs/dbraw/zinc/98/86/58/1092988658.db2.gz LSXICHBZNGZALW-WAYWQWQTSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1cnc(C(C)C)s1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588771869 1092990694 /nfs/dbraw/zinc/99/06/94/1092990694.db2.gz BXFXXBMCOPINLT-VMPITWQZSA-N -2 3 343.416 2.811 20 0 EFADHL CC(=Cc1cnc(C(C)C)s1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588771869 1092990703 /nfs/dbraw/zinc/99/07/03/1092990703.db2.gz BXFXXBMCOPINLT-VMPITWQZSA-N -2 3 343.416 2.811 20 0 EFADHL CC(C)C[C@@H](CNc1cccc(C(F)F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001589556256 1093106089 /nfs/dbraw/zinc/10/60/89/1093106089.db2.gz NQQGZPCVAXVVAE-VIFPVBQESA-N -2 3 339.346 2.963 20 0 EFADHL CC(C)C[C@@H](CNc1cccc(C(F)F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001589556256 1093106093 /nfs/dbraw/zinc/10/60/93/1093106093.db2.gz NQQGZPCVAXVVAE-VIFPVBQESA-N -2 3 339.346 2.963 20 0 EFADHL CC(C)C[C@H](CNc1cccc(C(F)F)c1-c1nnn[n-]1)C(=O)[O-] ZINC001589556255 1093106942 /nfs/dbraw/zinc/10/69/42/1093106942.db2.gz NQQGZPCVAXVVAE-SECBINFHSA-N -2 3 339.346 2.963 20 0 EFADHL CC(C)C[C@H](CNc1cccc(C(F)F)c1-c1nn[n-]n1)C(=O)[O-] ZINC001589556255 1093106949 /nfs/dbraw/zinc/10/69/49/1093106949.db2.gz NQQGZPCVAXVVAE-SECBINFHSA-N -2 3 339.346 2.963 20 0 EFADHL CC(C)c1ccc2ncc(-c3nnn[n-]3)c(SCC(=O)[O-])c2c1 ZINC001589771344 1093140983 /nfs/dbraw/zinc/14/09/83/1093140983.db2.gz XARWUECMYVZSCO-UHFFFAOYSA-N -2 3 329.385 2.715 20 0 EFADHL CC(C)c1ccc2ncc(-c3nn[n-]n3)c(SCC(=O)[O-])c2c1 ZINC001589771344 1093140985 /nfs/dbraw/zinc/14/09/85/1093140985.db2.gz XARWUECMYVZSCO-UHFFFAOYSA-N -2 3 329.385 2.715 20 0 EFADHL CC(=O)c1ccc(C(=O)N2[C@H](C)C[C@H](C)[C@@H](C(=O)[O-])[C@@H]2C)cc1[O-] ZINC001650505318 1093335963 /nfs/dbraw/zinc/33/59/63/1093335963.db2.gz GRHLNLQTPXPBMI-QUIZZNFMSA-N -2 3 333.384 2.555 20 0 EFADHL CC(=O)c1ccc(C(=O)N2[C@H](C)C[C@H](C)[C@H](C(=O)[O-])[C@H]2C)cc1[O-] ZINC001650505317 1093336300 /nfs/dbraw/zinc/33/63/00/1093336300.db2.gz GRHLNLQTPXPBMI-GFOPWETNSA-N -2 3 333.384 2.555 20 0 EFADHL CN(C(=O)c1cccc(Cl)c1[O-])c1ccc(-c2nnn[n-]2)cc1F ZINC001590995192 1093650010 /nfs/dbraw/zinc/65/00/10/1093650010.db2.gz YGMWBIWPDHWPGR-UHFFFAOYSA-N -2 3 347.737 2.641 20 0 EFADHL CN(C(=O)c1cccc(Cl)c1[O-])c1ccc(-c2nn[n-]n2)cc1F ZINC001590995192 1093650015 /nfs/dbraw/zinc/65/00/15/1093650015.db2.gz YGMWBIWPDHWPGR-UHFFFAOYSA-N -2 3 347.737 2.641 20 0 EFADHL COc1ccc(-c2ccsc2-c2nnn[n-]2)cc1C1(C(=O)[O-])CC1 ZINC001591555438 1093767636 /nfs/dbraw/zinc/76/76/36/1093767636.db2.gz FKHWPMLCKHGOIB-UHFFFAOYSA-N -2 3 342.380 2.720 20 0 EFADHL COc1ccc(-c2nc(SC(C)C)[n-]c(=O)c2-c2nn[n-]n2)cc1 ZINC001591556537 1093769508 /nfs/dbraw/zinc/76/95/08/1093769508.db2.gz GGBYAGPZHDBGBE-UHFFFAOYSA-N -2 3 344.400 2.538 20 0 EFADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1csc(-c2nnn[n-]2)c1 ZINC001593205050 1094235889 /nfs/dbraw/zinc/23/58/89/1094235889.db2.gz CGQROVNEWPSTCM-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1csc(-c2nn[n-]n2)c1 ZINC001593205050 1094235896 /nfs/dbraw/zinc/23/58/96/1094235896.db2.gz CGQROVNEWPSTCM-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1C1CC1)c1cccc(F)c1[O-] ZINC001593220009 1094244146 /nfs/dbraw/zinc/24/41/46/1094244146.db2.gz ZIUPTTXDFQOUHD-UHFFFAOYSA-N -2 3 339.330 2.841 20 0 EFADHL O=C([O-])CC[C@@H]1CCCN(c2cccc(Cl)c2-c2nnn[n-]2)C1 ZINC001593278216 1094261124 /nfs/dbraw/zinc/26/11/24/1094261124.db2.gz VKXIWDYXFITTLZ-JTQLQIEISA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CC[C@@H]1CCCN(c2cccc(Cl)c2-c2nn[n-]n2)C1 ZINC001593278216 1094261129 /nfs/dbraw/zinc/26/11/29/1094261129.db2.gz VKXIWDYXFITTLZ-JTQLQIEISA-N -2 3 335.795 2.601 20 0 EFADHL O=C([O-])CC1(CC(=O)Nc2sccc2-c2nnn[n-]2)CCCCC1 ZINC001593276316 1094261889 /nfs/dbraw/zinc/26/18/89/1094261889.db2.gz KBHXOITVXRCQBN-UHFFFAOYSA-N -2 3 349.416 2.682 20 0 EFADHL O=C([O-])CC1(CC(=O)Nc2sccc2-c2nn[n-]n2)CCCCC1 ZINC001593276316 1094261892 /nfs/dbraw/zinc/26/18/92/1094261892.db2.gz KBHXOITVXRCQBN-UHFFFAOYSA-N -2 3 349.416 2.682 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccc(Cl)cc2F)n1 ZINC001593284243 1094264621 /nfs/dbraw/zinc/26/46/21/1094264621.db2.gz ZPHPCJLNVSYCOK-DJWKRKHSSA-N -2 3 345.721 2.923 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccc(Cl)cc2F)n1 ZINC001593284243 1094264626 /nfs/dbraw/zinc/26/46/26/1094264626.db2.gz ZPHPCJLNVSYCOK-DJWKRKHSSA-N -2 3 345.721 2.923 20 0 EFADHL Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC001600022342 1094727449 /nfs/dbraw/zinc/72/74/49/1094727449.db2.gz YNTHROVLUVIYSE-UHFFFAOYSA-N -2 3 332.740 2.615 20 0 EFADHL Cc1c(Cl)c(C(=O)[O-])sc1S(=O)(=O)[N-]CCCC(F)F ZINC001600059112 1094745897 /nfs/dbraw/zinc/74/58/97/1094745897.db2.gz YQRALOATZQAHNL-UHFFFAOYSA-N -2 3 347.792 2.732 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])cc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC001600158429 1094820611 /nfs/dbraw/zinc/82/06/11/1094820611.db2.gz PVLGVYXXTWSGMV-DHDCSXOGSA-N -2 3 336.347 2.725 20 0 EFADHL Cc1cc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc(C(=O)[O-])c1 ZINC001600283040 1094941625 /nfs/dbraw/zinc/94/16/25/1094941625.db2.gz LUWBTUDICISQDX-UHFFFAOYSA-N -2 3 327.262 2.820 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC2CCC(C)(C)CC2)oc1C(=O)[O-] ZINC001600298996 1094952458 /nfs/dbraw/zinc/95/24/58/1094952458.db2.gz PSKFJBYDLSIECW-UHFFFAOYSA-N -2 3 329.418 2.781 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@H]2CCC=CCCC2)oc1C(=O)[O-] ZINC001600299255 1094953130 /nfs/dbraw/zinc/95/31/30/1094953130.db2.gz SUABXNCWAJYLPI-LBPRGKRZSA-N -2 3 327.402 2.701 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H]2CCCC[C@@H]2C)oc1C(=O)[O-] ZINC001600298661 1094953308 /nfs/dbraw/zinc/95/33/08/1094953308.db2.gz KCBQPXZFPUYBTK-JQWIXIFHSA-N -2 3 329.418 2.781 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C(C)(C)C)oc1C(=O)[O-] ZINC001600299340 1094953385 /nfs/dbraw/zinc/95/33/85/1094953385.db2.gz WZMFHSSEJCBQKG-GHMZBOCLSA-N -2 3 329.418 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)C2CCCCCC2)oc1C(=O)[O-] ZINC001600300242 1094953928 /nfs/dbraw/zinc/95/39/28/1094953928.db2.gz FCNLCVNXEKPACS-NSHDSACASA-N -2 3 329.418 2.923 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C(C)(C)C)oc1C(=O)[O-] ZINC001600299343 1094954061 /nfs/dbraw/zinc/95/40/61/1094954061.db2.gz WZMFHSSEJCBQKG-WDEREUQCSA-N -2 3 329.418 2.779 20 0 EFADHL Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC001600306786 1094957346 /nfs/dbraw/zinc/95/73/46/1094957346.db2.gz LHFORBSWAWXKGR-UHFFFAOYSA-N -2 3 349.343 2.509 20 0 EFADHL Cc1ccc(-c2cc(C(=O)OCc3nc(C)c(C(=O)[O-])s3)n[n-]2)o1 ZINC001600313487 1094963586 /nfs/dbraw/zinc/96/35/86/1094963586.db2.gz YUFKMGYBQBALQC-UHFFFAOYSA-N -2 3 347.352 2.798 20 0 EFADHL Cc1ccc(-c2cc(C(=O)OCc3nc(C)c(C(=O)[O-])s3)[n-]n2)o1 ZINC001600313487 1094963597 /nfs/dbraw/zinc/96/35/97/1094963597.db2.gz YUFKMGYBQBALQC-UHFFFAOYSA-N -2 3 347.352 2.798 20 0 EFADHL Cc1ccc(C(F)(F)C(=O)[N-][C@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC001600379249 1095018574 /nfs/dbraw/zinc/01/85/74/1095018574.db2.gz XCUXDHFCPGEKQQ-SECBINFHSA-N -2 3 325.233 2.609 20 0 EFADHL Cc1ccc(Cl)c([N-]S(=O)(=O)c2cncc(C(=O)[O-])c2)c1 ZINC001600425141 1095056486 /nfs/dbraw/zinc/05/64/86/1095056486.db2.gz XCYWLZCWWLELTL-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)o1 ZINC001600478896 1095096879 /nfs/dbraw/zinc/09/68/79/1095096879.db2.gz HIGDXJHHDHLBBT-DIFFPNOSSA-N -2 3 349.408 2.744 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1C(=O)[O-] ZINC001600550512 1095155994 /nfs/dbraw/zinc/15/59/94/1095155994.db2.gz PQWLMEBDIWWVDD-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cc1[nH]nc(S(=O)(=O)[N-][C@H](CCC(C)C)C(C)(C)C)c1C(=O)[O-] ZINC001600674326 1095251345 /nfs/dbraw/zinc/25/13/45/1095251345.db2.gz YYYJARDJIYIQGM-LLVKDONJSA-N -2 3 345.465 2.546 20 0 EFADHL Cc1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3C(=O)[O-])cc2[nH]1 ZINC001600726637 1095291261 /nfs/dbraw/zinc/29/12/61/1095291261.db2.gz QXJUGQPBSGKMNC-UHFFFAOYSA-N -2 3 349.343 2.509 20 0 EFADHL O=C([O-])c1ccc(CO[N-]C(=O)CCOc2ccccc2)c(F)c1 ZINC001601282581 1095595818 /nfs/dbraw/zinc/59/58/18/1095595818.db2.gz RUEOGAAMRRZNBV-UHFFFAOYSA-N -2 3 333.315 2.541 20 0 EFADHL O=C([O-])c1sc2ccccc2c1CNC(=O)c1ccc(O)cc1[O-] ZINC001601529711 1095718440 /nfs/dbraw/zinc/71/84/40/1095718440.db2.gz AXQIKVZRFRLMFI-UHFFFAOYSA-N -2 3 343.360 2.941 20 0 EFADHL O=C([O-])c1cc2cccnc2c(NC(=O)[N-]O[C@H]2CCCCO2)c1 ZINC001601563014 1095733482 /nfs/dbraw/zinc/73/34/82/1095733482.db2.gz FEOFDASOZRFFCY-ZDUSSCGKSA-N -2 3 331.328 2.513 20 0 EFADHL O=C([O-])c1cccc2nc(NC(=O)c3cc(Cl)ccc3[O-])[nH]c21 ZINC001601631884 1095774611 /nfs/dbraw/zinc/77/46/11/1095774611.db2.gz BLYDGQJYVYXPEO-UHFFFAOYSA-N -2 3 331.715 2.872 20 0 EFADHL O=C([O-])c1cccc2nc(NC(=O)c3ccc(Cl)c([O-])c3)[nH]c21 ZINC001601632917 1095775040 /nfs/dbraw/zinc/77/50/40/1095775040.db2.gz NLKSVKSARDIZEB-UHFFFAOYSA-N -2 3 331.715 2.872 20 0 EFADHL O=C([O-])C12CCC(C(=O)OCc3cc(=O)[n-]c(C4CC4)n3)(CC1)CC2 ZINC001601732040 1095871962 /nfs/dbraw/zinc/87/19/62/1095871962.db2.gz NFTRLAZVKOBJBB-UHFFFAOYSA-N -2 3 346.383 2.528 20 0 EFADHL O=C([O-])C[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1ccncc1 ZINC001601903998 1095968692 /nfs/dbraw/zinc/96/86/92/1095968692.db2.gz NZUUCVKXSFYOFV-ZDUSSCGKSA-N -2 3 342.376 2.948 20 0 EFADHL O=C([O-])C[C@H](NCc1cc(C(=O)[O-])c2n1CCCC2)c1ccsc1 ZINC001601905977 1095970302 /nfs/dbraw/zinc/97/03/02/1095970302.db2.gz GWSMBIQJYDJTEU-AWEZNQCLSA-N -2 3 348.424 2.890 20 0 EFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2cccc(Cl)c2F)CCCC1 ZINC001601921829 1095977972 /nfs/dbraw/zinc/97/79/72/1095977972.db2.gz CEQKAMZMCJEENM-UHFFFAOYSA-N -2 3 349.811 2.793 20 0 EFADHL O=C([O-])C[C@H]1CN(C(=O)c2[n-]cnc2C(F)(F)F)c2ccccc21 ZINC001601960886 1095994437 /nfs/dbraw/zinc/99/44/37/1095994437.db2.gz FIAJZUWBAWOXMJ-QMMMGPOBSA-N -2 3 339.273 2.647 20 0 EFADHL O=C([O-])C[C@H]1CN(C(=O)c2nc[n-]c2C(F)(F)F)c2ccccc21 ZINC001601960886 1095994443 /nfs/dbraw/zinc/99/44/43/1095994443.db2.gz FIAJZUWBAWOXMJ-QMMMGPOBSA-N -2 3 339.273 2.647 20 0 EFADHL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc(OC3CC3)cc2)cc1 ZINC001602128252 1096080541 /nfs/dbraw/zinc/08/05/41/1096080541.db2.gz GEMKHKHRHLSNFB-UHFFFAOYSA-N -2 3 347.392 2.656 20 0 EFADHL O=C([O-])[C@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2[O-])CC1 ZINC001602212937 1096120090 /nfs/dbraw/zinc/12/00/90/1096120090.db2.gz CMRONRGSAVTKBQ-KYZUINATSA-N -2 3 342.189 2.984 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]C2CC3(CCC3)C2)c1F ZINC001602266298 1096150008 /nfs/dbraw/zinc/15/00/08/1096150008.db2.gz HOVOLGZXGGYGNS-UHFFFAOYSA-N -2 3 347.795 2.788 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CCCC23CC3)c(F)cc1Cl ZINC001602295148 1096165095 /nfs/dbraw/zinc/16/50/95/1096165095.db2.gz YTNPYYMKXLEVIK-LBPRGKRZSA-N -2 3 347.795 2.788 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H](c3ccccc3)C2)o1 ZINC001602396895 1096221265 /nfs/dbraw/zinc/22/12/65/1096221265.db2.gz CPYGDAJATANKBY-UONOGXRCSA-N -2 3 349.408 2.983 20 0 EFADHL O=C([O-])c1ccnc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC001602481831 1096267701 /nfs/dbraw/zinc/26/77/01/1096267701.db2.gz VUYGYPLUUXOZPE-UHFFFAOYSA-N -2 3 337.129 2.500 20 0 EFADHL O=C([O-])c1ccnc(C(=O)Nc2nnc(-c3cc4ccccc4o3)[n-]2)c1 ZINC001602482000 1096268141 /nfs/dbraw/zinc/26/81/41/1096268141.db2.gz XLHQWVAPGJYBSQ-UHFFFAOYSA-N -2 3 349.306 2.563 20 0 EFADHL O=C([O-])c1ccnc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)c1 ZINC001602482000 1096268146 /nfs/dbraw/zinc/26/81/46/1096268146.db2.gz XLHQWVAPGJYBSQ-UHFFFAOYSA-N -2 3 349.306 2.563 20 0 EFADHL O=C([O-])c1cncc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC001602535633 1096287221 /nfs/dbraw/zinc/28/72/21/1096287221.db2.gz CFHHLGQRQCJBCW-UHFFFAOYSA-N -2 3 337.129 2.500 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2c2ccccc2)c1 ZINC001602557067 1096296446 /nfs/dbraw/zinc/29/64/46/1096296446.db2.gz PMEPBDXZDSDUIY-DZGCQCFKSA-N -2 3 349.408 2.840 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2cccc3ccccc32)c1 ZINC001602559266 1096298238 /nfs/dbraw/zinc/29/82/38/1096298238.db2.gz OIBVGSSRAKRFPA-UHFFFAOYSA-N -2 3 331.349 2.610 20 0 EFADHL O=C([O-])c1nscc1S(=O)(=O)[N-][C@@H]1CCCCC12CCCC2 ZINC001602587469 1096308244 /nfs/dbraw/zinc/30/82/44/1096308244.db2.gz UGCWXYHHUHYXOQ-LLVKDONJSA-N -2 3 344.458 2.623 20 0 EFADHL CC(=Cc1ccc2cnccc2c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602905998 1096395877 /nfs/dbraw/zinc/39/58/77/1096395877.db2.gz JZOPNXAVWYCADR-YFHOEESVSA-N -2 3 345.366 2.779 20 0 EFADHL CC(=Cc1ccc2cnccc2c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602905998 1096395884 /nfs/dbraw/zinc/39/58/84/1096395884.db2.gz JZOPNXAVWYCADR-YFHOEESVSA-N -2 3 345.366 2.779 20 0 EFADHL CC(=Cc1ccsc1Cl)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602907275 1096397120 /nfs/dbraw/zinc/39/71/20/1096397120.db2.gz WNLWDZHXKJPGKF-AATRIKPKSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1ccsc1Cl)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602907275 1096397127 /nfs/dbraw/zinc/39/71/27/1096397127.db2.gz WNLWDZHXKJPGKF-AATRIKPKSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1cscc1Cl)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602906530 1096397793 /nfs/dbraw/zinc/39/77/93/1096397793.db2.gz NIJDUHZFPNTALA-ZZXKWVIFSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1cscc1Cl)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602906530 1096397795 /nfs/dbraw/zinc/39/77/95/1096397795.db2.gz NIJDUHZFPNTALA-ZZXKWVIFSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=O)c1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)[O-])cc1[O-] ZINC001603109125 1096445915 /nfs/dbraw/zinc/44/59/15/1096445915.db2.gz ZKXOPMIHUIOMNM-GFCCVEGCSA-N -2 3 341.363 2.710 20 0 EFADHL C[C@H](C(=O)[O-])c1cccc(NC(=O)c2nnc3ccccc3c2[O-])c1 ZINC001603222092 1096477837 /nfs/dbraw/zinc/47/78/37/1096477837.db2.gz XIVSCLFXKCSRRY-JTQLQIEISA-N -2 3 337.335 2.776 20 0 EFADHL CC(C)(C(=O)[O-])[C@@H](NC(=O)c1cccc2n[n-]nc21)c1ccccc1 ZINC001603247888 1096485669 /nfs/dbraw/zinc/48/56/69/1096485669.db2.gz XESIZSIJCYTBBP-HNNXBMFYSA-N -2 3 338.367 2.540 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1occc1C(=O)[O-])c1ccccc1 ZINC001603613183 1096566096 /nfs/dbraw/zinc/56/60/96/1096566096.db2.gz GUYSGXUGYYRPIC-UHFFFAOYSA-N -2 3 337.397 2.624 20 0 EFADHL C[C@@H]([N-]C(=O)C(F)(F)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001604266080 1096789891 /nfs/dbraw/zinc/78/98/91/1096789891.db2.gz XGJAPJFMUHFOEB-MRVPVSSYSA-N -2 3 326.324 2.811 20 0 EFADHL CCc1c(C)sc(NC(=O)c2cccc(F)c2[O-])c1-c1nnn[n-]1 ZINC001604505749 1096881999 /nfs/dbraw/zinc/88/19/99/1096881999.db2.gz JSMANIYQCXKCQU-UHFFFAOYSA-N -2 3 347.375 2.896 20 0 EFADHL CCc1c(C)sc(NC(=O)c2cccc(F)c2[O-])c1-c1nn[n-]n1 ZINC001604505749 1096882006 /nfs/dbraw/zinc/88/20/06/1096882006.db2.gz JSMANIYQCXKCQU-UHFFFAOYSA-N -2 3 347.375 2.896 20 0 EFADHL C[C@@H]1CC[C@](NC(=O)c2ccccc2[O-])(C(=O)[O-])c2ccccc21 ZINC001604708031 1096937263 /nfs/dbraw/zinc/93/72/63/1096937263.db2.gz YFLMFXFBOFOOAZ-CWTRNNRKSA-N -2 3 325.364 2.999 20 0 EFADHL CCC[C@@H](CC)S(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1O ZINC001605212355 1097054019 /nfs/dbraw/zinc/05/40/19/1097054019.db2.gz XEASBKXYZWBDAU-GFCCVEGCSA-N -2 3 329.418 2.730 20 0 EFADHL CCCCOc1ccc(C(=O)N2C[C@H](C)[C@@](C)(C(=O)[O-])C2)c([O-])c1 ZINC001605286502 1097082475 /nfs/dbraw/zinc/08/24/75/1097082475.db2.gz WFZNIMWCHKGTIX-SGTLLEGYSA-N -2 3 335.400 2.754 20 0 EFADHL CCOCCCN(C[C@H](C)C(=O)[O-])C(=O)c1cccc(CC)c1[O-] ZINC001605632021 1097174583 /nfs/dbraw/zinc/17/45/83/1097174583.db2.gz ACAOWILNYFDKMN-ZDUSSCGKSA-N -2 3 337.416 2.544 20 0 EFADHL Cc1cc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc(-c2nnn[n-]2)c1 ZINC001605705833 1097200904 /nfs/dbraw/zinc/20/09/04/1097200904.db2.gz MGMIIUUHWUTYMD-UHFFFAOYSA-N -2 3 343.387 2.539 20 0 EFADHL Cc1cc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc(-c2nn[n-]n2)c1 ZINC001605705833 1097200907 /nfs/dbraw/zinc/20/09/07/1097200907.db2.gz MGMIIUUHWUTYMD-UHFFFAOYSA-N -2 3 343.387 2.539 20 0 EFADHL CCc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)c([O-])c1 ZINC001605805837 1097232957 /nfs/dbraw/zinc/23/29/57/1097232957.db2.gz DGMUPFQCBFSELZ-UHFFFAOYSA-N -2 3 345.351 2.922 20 0 EFADHL Cc1ccc2cnccc2c1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001605894428 1097270117 /nfs/dbraw/zinc/27/01/17/1097270117.db2.gz ZOWBWTMOJSESQA-UHFFFAOYSA-N -2 3 346.350 2.681 20 0 EFADHL CN(C)c1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1 ZINC001606060787 1097310091 /nfs/dbraw/zinc/31/00/91/1097310091.db2.gz NWBZDFHVNPPJTC-UHFFFAOYSA-N -2 3 348.424 2.571 20 0 EFADHL Cc1cc2cc[nH]c2c(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)n1 ZINC001167934869 1097338688 /nfs/dbraw/zinc/33/86/88/1097338688.db2.gz VYEXMDQMMHUQKC-UHFFFAOYSA-N -2 3 343.323 2.956 20 0 EFADHL O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cc([S-])ccc1F ZINC001606974524 1097485809 /nfs/dbraw/zinc/48/58/09/1097485809.db2.gz JZMHKIRXVPWNNU-UHFFFAOYSA-N -2 3 330.344 2.652 20 0 EFADHL COc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cccc1C(=O)[O-] ZINC001607051100 1097502979 /nfs/dbraw/zinc/50/29/79/1097502979.db2.gz WATGYLPYCSGLPQ-UHFFFAOYSA-N -2 3 343.261 2.520 20 0 EFADHL COc1cc(C(=O)O[C@@H](C)c2ccc(C(=O)[O-])o2)cc(OC)c1[O-] ZINC001607145718 1097542110 /nfs/dbraw/zinc/54/21/10/1097542110.db2.gz PBKWMXBZMFESFO-QMMMGPOBSA-N -2 3 336.296 2.619 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2nc(C(C)C)c(C(=O)[O-])s2)c1 ZINC001607277189 1097582474 /nfs/dbraw/zinc/58/24/74/1097582474.db2.gz XXLDOOVFFZXTPH-UHFFFAOYSA-N -2 3 336.369 2.931 20 0 EFADHL Cc1c(NC=C2C(=O)[N-]C(=O)c3ccccc32)ccc(F)c1C(=O)[O-] ZINC001607548724 1097658302 /nfs/dbraw/zinc/65/83/02/1097658302.db2.gz IRRKORVRJUHQGA-XYOKQWHBSA-N -2 3 340.310 2.555 20 0 EFADHL Cc1cc(F)cc2c(=O)c(C(=O)Nc3sccc3C(=O)[O-])c[n-]c12 ZINC001607665694 1097694069 /nfs/dbraw/zinc/69/40/69/1097694069.db2.gz QVQSGDNXPMCTIK-UHFFFAOYSA-N -2 3 346.339 2.988 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H]2CC3CCC2CC3)oc1C(=O)[O-] ZINC001607705806 1097704178 /nfs/dbraw/zinc/70/41/78/1097704178.db2.gz UIAQQPVJVUXECH-WTIISPKJSA-N -2 3 341.429 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@]2(C)CCCC[C@@H]2C(=O)[O-])c(F)cc1F ZINC001607706619 1097705478 /nfs/dbraw/zinc/70/54/78/1097705478.db2.gz XWNNWWKISVVHHO-BMIGLBTASA-N -2 3 347.383 2.585 20 0 EFADHL Cc1ccc(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)c([O-])c1 ZINC001607729801 1097712343 /nfs/dbraw/zinc/71/23/43/1097712343.db2.gz DXHYVKPATYPEKT-LBPRGKRZSA-N -2 3 329.352 2.655 20 0 EFADHL Cc1ccc(CN2Cc3nc(C4CC4)[n-]c(=O)c3C2)cc1C(=O)[O-] ZINC001607780704 1097730961 /nfs/dbraw/zinc/73/09/61/1097730961.db2.gz CSLQZRWWTLTRBM-UHFFFAOYSA-N -2 3 325.368 2.582 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2C)c(C(=O)[O-])c1 ZINC001607822179 1097743836 /nfs/dbraw/zinc/74/38/36/1097743836.db2.gz WUAONKXSZOKYRR-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1oc(C[N-]S(=O)(=O)c2cc(Cl)ccc2F)cc1C(=O)[O-] ZINC001608051630 1097818073 /nfs/dbraw/zinc/81/80/73/1097818073.db2.gz XPWVHDHEMBDIQD-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL O=C([O-])c1ccc(CNC(=O)c2cc3sccc3c([O-])c2)cn1 ZINC001608467152 1097927890 /nfs/dbraw/zinc/92/78/90/1097927890.db2.gz YPFGOMPGASTSHO-UHFFFAOYSA-N -2 3 328.349 2.630 20 0 EFADHL O=C([O-])c1ccc(NC(=O)c2ccc3[n-]c(=O)nc-3[nH]2)c2ccccc12 ZINC001608506659 1097934481 /nfs/dbraw/zinc/93/44/81/1097934481.db2.gz UEMZTTOIEOIFPA-UHFFFAOYSA-N -2 3 348.318 2.767 20 0 EFADHL O=C([O-])CCN(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC001608722303 1098001469 /nfs/dbraw/zinc/00/14/69/1098001469.db2.gz NSTHFFBOSHFWHQ-UHFFFAOYSA-N -2 3 331.343 2.577 20 0 EFADHL O=C([O-])CCS(=O)(=O)[N-]c1ccccc1-c1c(F)cccc1F ZINC001608732794 1098003180 /nfs/dbraw/zinc/00/31/80/1098003180.db2.gz KYTBQQWWSYVESO-UHFFFAOYSA-N -2 3 341.335 2.848 20 0 EFADHL O=C([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]C/C=C/Cl ZINC001608845498 1098039903 /nfs/dbraw/zinc/03/99/03/1098039903.db2.gz DHQMNXHGCPGNMX-OWOJBTEDSA-N -2 3 344.603 2.722 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC001608846663 1098043308 /nfs/dbraw/zinc/04/33/08/1098043308.db2.gz NYASPHUZZKSIJU-SNVBAGLBSA-N -2 3 339.747 2.504 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CCC[C@H]23)c(F)cc1Cl ZINC001608860522 1098047484 /nfs/dbraw/zinc/04/74/84/1098047484.db2.gz OZEDFXVIVZLYOX-YVZVNANGSA-N -2 3 347.795 2.644 20 0 EFADHL O=C([O-])c1ccc(Cl)c(COC(=O)c2cccc3nn[n-]c32)c1 ZINC001608893074 1098061731 /nfs/dbraw/zinc/06/17/31/1098061731.db2.gz VCFPWOUPGHDPHZ-UHFFFAOYSA-N -2 3 331.715 2.667 20 0 EFADHL O=C([O-])c1ccc(Cl)c(COC(=O)c2cccc3[n-]nnc32)c1 ZINC001608893074 1098061734 /nfs/dbraw/zinc/06/17/34/1098061734.db2.gz VCFPWOUPGHDPHZ-UHFFFAOYSA-N -2 3 331.715 2.667 20 0 EFADHL O=C([O-])c1ccc(Cl)c(COC(=O)c2cccc3n[n-]nc32)c1 ZINC001608893074 1098061741 /nfs/dbraw/zinc/06/17/41/1098061741.db2.gz VCFPWOUPGHDPHZ-UHFFFAOYSA-N -2 3 331.715 2.667 20 0 EFADHL O=C([O-])c1coc(C(=O)COC(=O)c2cc3sccc3c([O-])c2)c1 ZINC001608985911 1098099217 /nfs/dbraw/zinc/09/92/17/1098099217.db2.gz VHSIWQDFTYUUIR-UHFFFAOYSA-N -2 3 346.316 2.938 20 0 EFADHL CC(=Cc1cc(F)ccc1F)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060240 1098126164 /nfs/dbraw/zinc/12/61/64/1098126164.db2.gz FUCPXIRHDTZRFM-FNORWQNLSA-N -2 3 330.298 2.509 20 0 EFADHL CC(=Cc1cc(F)ccc1F)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060240 1098126169 /nfs/dbraw/zinc/12/61/69/1098126169.db2.gz FUCPXIRHDTZRFM-FNORWQNLSA-N -2 3 330.298 2.509 20 0 EFADHL CCC(CC)(CNc1ncc(Cl)c(C)c1-c1nnn[n-]1)C(=O)[O-] ZINC001609189067 1098189138 /nfs/dbraw/zinc/18/91/38/1098189138.db2.gz SEFOGNJHLYXECK-UHFFFAOYSA-N -2 3 338.799 2.526 20 0 EFADHL CCC(CC)(CNc1ncc(Cl)c(C)c1-c1nn[n-]n1)C(=O)[O-] ZINC001609189067 1098189139 /nfs/dbraw/zinc/18/91/39/1098189139.db2.gz SEFOGNJHLYXECK-UHFFFAOYSA-N -2 3 338.799 2.526 20 0 EFADHL Cc1c(C(=O)Nc2cc(Cl)c([O-])cc2F)cccc1-c1nn[n-]n1 ZINC001609380642 1098277003 /nfs/dbraw/zinc/27/70/03/1098277003.db2.gz ITOYKPRKWAFKNO-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cc1cc(C)c2c(c1)N(C(=O)c1ccc(-c3nn[n-]n3)c([O-])c1)CCC2 ZINC001609397586 1098287245 /nfs/dbraw/zinc/28/72/45/1098287245.db2.gz JQNFJTGDQHTUAE-UHFFFAOYSA-N -2 3 349.394 2.782 20 0 EFADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1ccc([O-])c(Cl)c1 ZINC001609416361 1098301934 /nfs/dbraw/zinc/30/19/34/1098301934.db2.gz YTCTYSOELQGEDL-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001609423953 1098308531 /nfs/dbraw/zinc/30/85/31/1098308531.db2.gz BOMWVODGIOYXIU-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccc3c(c2)CCC3)n1 ZINC001609572289 1098386105 /nfs/dbraw/zinc/38/61/05/1098386105.db2.gz OYXNFOKHRJLGTF-VMPITWQZSA-N -2 3 333.351 2.619 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccc3c(c2)CCC3)n1 ZINC001609572289 1098386108 /nfs/dbraw/zinc/38/61/08/1098386108.db2.gz OYXNFOKHRJLGTF-VMPITWQZSA-N -2 3 333.351 2.619 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2ccc3cnccc3c2)n1 ZINC001609572234 1098386306 /nfs/dbraw/zinc/38/63/06/1098386306.db2.gz MANYBFIRSBABCV-GORDUTHDSA-N -2 3 344.334 2.679 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2ccc3cnccc3c2)n1 ZINC001609572234 1098386312 /nfs/dbraw/zinc/38/63/12/1098386312.db2.gz MANYBFIRSBABCV-GORDUTHDSA-N -2 3 344.334 2.679 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1[O-] ZINC001609629004 1098409114 /nfs/dbraw/zinc/40/91/14/1098409114.db2.gz KJEQKJYRQZMOJA-APPDUMDISA-N -2 3 341.363 2.787 20 0 EFADHL C[C@@](CNC(=O)c1cc([O-])ccc1Cl)(C(=O)[O-])c1ccccc1 ZINC001609745657 1098444559 /nfs/dbraw/zinc/44/45/59/1098444559.db2.gz SDTIYILFQAVBKZ-KRWDZBQOSA-N -2 3 333.771 2.818 20 0 EFADHL COC(=O)c1ccc(C(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)[n-]1 ZINC001610206467 1098571350 /nfs/dbraw/zinc/57/13/50/1098571350.db2.gz CHWMNXCTHRJOSH-UHFFFAOYSA-N -2 3 346.339 2.539 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1scc(C(=O)[O-])c1C ZINC001610388378 1098651128 /nfs/dbraw/zinc/65/11/28/1098651128.db2.gz IQTWAGPHRIGUPL-UHFFFAOYSA-N -2 3 339.398 2.533 20 0 EFADHL Cc1c([N-]S(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)[nH]nc1C(C)C ZINC001610411043 1098662716 /nfs/dbraw/zinc/66/27/16/1098662716.db2.gz KVCMFCWPIQHZCE-RMKNXTFCSA-N -2 3 349.412 2.740 20 0 EFADHL Cc1cc(CNCc2cccc(C(=O)[O-])c2)cc(C)c1OCC(=O)[O-] ZINC001610461181 1098691613 /nfs/dbraw/zinc/69/16/13/1098691613.db2.gz MCXPWPCBYGLAEE-UHFFFAOYSA-N -2 3 343.379 2.755 20 0 EFADHL Cc1cc(NC(=O)c2c[n-]c3c(C)cc(F)cc3c2=O)c(C(=O)[O-])[nH]1 ZINC001610474051 1098697377 /nfs/dbraw/zinc/69/73/77/1098697377.db2.gz YFQPBTJDNLGKIN-UHFFFAOYSA-N -2 3 343.314 2.563 20 0 EFADHL Cc1ccc([C@H]([N-]C(=O)C(F)(F)c2nccs2)C(=O)[O-])cc1C ZINC001610493855 1098711451 /nfs/dbraw/zinc/71/14/51/1098711451.db2.gz BFGMGDHOWLHLPY-NSHDSACASA-N -2 3 340.351 2.794 20 0 EFADHL Cc1ccccc1C(F)(F)C(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-] ZINC001610531550 1098736292 /nfs/dbraw/zinc/73/62/92/1098736292.db2.gz PTMIFOBGGPANDC-VIFPVBQESA-N -2 3 325.233 2.609 20 0 EFADHL Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC001610539221 1098740443 /nfs/dbraw/zinc/74/04/43/1098740443.db2.gz ATSSLHWEGBTVKG-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL Cc1nc(C=Cc2cc(C(=O)[O-])ccc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC001610554751 1098749171 /nfs/dbraw/zinc/74/91/71/1098749171.db2.gz JIZFIJGATWSELM-HYXAFXHYSA-N -3 3 348.742 2.640 20 0 EFADHL Cc1sc2[n-]c([C@H](C)OC(=O)CCCC(=O)[O-])nc(=O)c2c1C ZINC001610593502 1098775679 /nfs/dbraw/zinc/77/56/79/1098775679.db2.gz UQXBQGPGDJRBEB-QMMMGPOBSA-N -2 3 338.385 2.873 20 0 EFADHL O=C([O-])[C@H](CC(F)(F)F)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001610681229 1098824992 /nfs/dbraw/zinc/82/49/92/1098824992.db2.gz JMWWIINLYXHOMY-NSHDSACASA-N -2 3 327.258 2.681 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2(C3CCC3)CCC2)c1F ZINC001610805598 1098901366 /nfs/dbraw/zinc/90/13/66/1098901366.db2.gz CRQPGZOJPXELMA-UHFFFAOYSA-N -2 3 345.367 2.664 20 0 EFADHL O=C([O-])c1c(Cl)cccc1S(=O)(=O)[N-][C@H]1CCCC1(F)F ZINC001610807504 1098901997 /nfs/dbraw/zinc/90/19/97/1098901997.db2.gz WWUJHHZYOQRFLW-VIFPVBQESA-N -2 3 339.747 2.504 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(F)cc(Cl)cc2F)o1 ZINC001610840552 1098927391 /nfs/dbraw/zinc/92/73/91/1098927391.db2.gz NZQXFRQCSAPYAX-UHFFFAOYSA-N -2 3 337.687 2.710 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1Cl ZINC001610849045 1098934309 /nfs/dbraw/zinc/93/43/09/1098934309.db2.gz YNRCPUIBGNGXBN-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC000184934962 1119635472 /nfs/dbraw/zinc/63/54/72/1119635472.db2.gz JHXBTXJWWKAMJQ-BDAKNGLRSA-N -2 3 333.356 2.520 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000036838286 202051448 /nfs/dbraw/zinc/05/14/48/202051448.db2.gz YWNSYYVEYSQXRE-JTQLQIEISA-N -2 3 326.201 2.525 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000036838336 202332024 /nfs/dbraw/zinc/33/20/24/202332024.db2.gz FMMZMCLPOWPARY-QMMMGPOBSA-N -2 3 326.201 2.525 20 0 EFADHL CC[C@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000211115519 241078138 /nfs/dbraw/zinc/07/81/38/241078138.db2.gz JDANQXDGGNEMDA-GFCCVEGCSA-N -2 3 340.228 2.773 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)cc1 ZINC000021868663 212257661 /nfs/dbraw/zinc/25/76/61/212257661.db2.gz QZIHZZFERBHLJN-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCCC(=O)[O-])sc1Cl ZINC000231807867 242270576 /nfs/dbraw/zinc/27/05/76/242270576.db2.gz AJPMRNSZOWGBOV-QMMMGPOBSA-N -2 3 325.839 2.632 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CCCC(=O)[O-])sc1Cl ZINC000231807870 242272052 /nfs/dbraw/zinc/27/20/52/242272052.db2.gz AJPMRNSZOWGBOV-MRVPVSSYSA-N -2 3 325.839 2.632 20 0 EFADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000070311701 203075007 /nfs/dbraw/zinc/07/50/07/203075007.db2.gz CCURDZVEMMIGIW-ZETCQYMHSA-N -2 3 326.201 2.525 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C)c1O ZINC000042794725 204145332 /nfs/dbraw/zinc/14/53/32/204145332.db2.gz PPLKWQVCMQZSCV-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000046072834 204333444 /nfs/dbraw/zinc/33/34/44/204333444.db2.gz JBMKMQFMRQPZBD-UHFFFAOYSA-N -2 3 335.381 2.973 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1C(=O)[O-] ZINC000047949023 204338206 /nfs/dbraw/zinc/33/82/06/204338206.db2.gz KAUUKQUDDDLTIF-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1C(=O)[O-] ZINC000047949134 204338486 /nfs/dbraw/zinc/33/84/86/204338486.db2.gz LKEWQPLFAJWLHS-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3ccccc3[O-])n2)c1 ZINC000436678204 249570487 /nfs/dbraw/zinc/57/04/87/249570487.db2.gz GJEQMWJIGFSNAZ-UHFFFAOYSA-N -2 3 327.315 2.983 20 0 EFADHL [O-]c1ccc(F)c(CN=c2[n-]nc(Cc3ccc(F)cc3)o2)c1F ZINC000436960482 249639640 /nfs/dbraw/zinc/63/96/40/249639640.db2.gz DPLUQMMWYYPWBU-UHFFFAOYSA-N -2 3 335.285 2.817 20 0 EFADHL COc1cc(C(=O)N=c2cc(-c3cc(F)cc(F)c3)[n-][nH]2)ccc1[O-] ZINC000443069700 250157595 /nfs/dbraw/zinc/15/75/95/250157595.db2.gz KIHVBJOTFIRXSU-UHFFFAOYSA-N -2 3 345.305 2.743 20 0 EFADHL CC(C)C[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000094703084 218268797 /nfs/dbraw/zinc/26/87/97/218268797.db2.gz QTANMKDVKTZZEA-VIFPVBQESA-N -2 3 337.800 2.504 20 0 EFADHL O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000174731446 207051720 /nfs/dbraw/zinc/05/17/20/207051720.db2.gz KWVCTKUZJPHSQG-JTQLQIEISA-N -2 3 339.335 2.722 20 0 EFADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1 ZINC000324853373 141499481 /nfs/dbraw/zinc/49/94/81/141499481.db2.gz KXIMFXCGAUHLGG-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)c1 ZINC000342618264 145159908 /nfs/dbraw/zinc/15/99/08/145159908.db2.gz CGCPNRSDOHDLDO-UHFFFAOYSA-N -2 3 333.287 2.619 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3cccnc32)c1 ZINC000342773329 145188755 /nfs/dbraw/zinc/18/87/55/145188755.db2.gz BJDXEUJYUFFZIQ-UHFFFAOYSA-N -2 3 330.365 2.750 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2OCC2CC2)c1 ZINC000342784960 145192173 /nfs/dbraw/zinc/19/21/73/145192173.db2.gz SJPWLENJKISKFS-UHFFFAOYSA-N -2 3 349.408 2.990 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cl)c2O)c1 ZINC000342786490 145192854 /nfs/dbraw/zinc/19/28/54/145192854.db2.gz WJDJQDMTJBJCDL-UHFFFAOYSA-N -2 3 329.761 2.561 20 0 EFADHL CCc1cccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)c1 ZINC000349008859 146036261 /nfs/dbraw/zinc/03/62/61/146036261.db2.gz PVDWQOANVYFTGQ-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL Cc1nc(C=Cc2cnc3ccc(Cl)cn23)[n-]c(=O)c1CC(=O)[O-] ZINC000349102936 146053187 /nfs/dbraw/zinc/05/31/87/146053187.db2.gz BPGQLERSAUIMDM-ONEGZZNKSA-N -2 3 344.758 2.589 20 0 EFADHL Cc1nc(C=Cc2ncc(C(F)(F)F)s2)[n-]c(=O)c1CC(=O)[O-] ZINC000349113320 146054528 /nfs/dbraw/zinc/05/45/28/146054528.db2.gz RCYBXLPQKJASOZ-NSCUHMNNSA-N -2 3 345.302 2.763 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc3ccn(C)c32)c1 ZINC000349301548 146077630 /nfs/dbraw/zinc/07/76/30/146077630.db2.gz WUJMJMCPDHMFBS-UHFFFAOYSA-N -2 3 332.381 2.693 20 0 EFADHL CCOC(=O)COc1cccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)c1 ZINC000351864703 146221437 /nfs/dbraw/zinc/22/14/37/146221437.db2.gz ZCRTUIHGTQIQQA-UHFFFAOYSA-N -2 3 340.335 2.650 20 0 EFADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1ncoc1-c1ccc(F)cc1 ZINC000352961206 146360659 /nfs/dbraw/zinc/36/06/59/146360659.db2.gz CQZFXZDPBVXNND-UHFFFAOYSA-N -2 3 341.224 2.870 20 0 EFADHL O=C(Cc1ccc([O-])cc1Cl)Nc1cccc(-c2n[nH]c(=O)[n-]2)c1 ZINC000356002254 147119591 /nfs/dbraw/zinc/11/95/91/147119591.db2.gz HYWWFTBJNGCPCR-UHFFFAOYSA-N -2 3 344.758 2.718 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c1C(=O)[O-] ZINC000357199535 147454277 /nfs/dbraw/zinc/45/42/77/147454277.db2.gz KPUNFIKMIWVSHT-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c3c(ccc2OC)CCC3)c1 ZINC000359631614 148145954 /nfs/dbraw/zinc/14/59/54/148145954.db2.gz AQVPGORJKZQTAD-UHFFFAOYSA-N -2 3 349.408 2.699 20 0 EFADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cncc([O-])c3)c2)n1 ZINC000373374884 151160270 /nfs/dbraw/zinc/16/02/70/151160270.db2.gz CRWXTOYVIBJMGC-UHFFFAOYSA-N -2 3 336.351 2.765 20 0 EFADHL O=C(C=Cc1ccc2c(c1)OCO2)[N-]N=c1cnc2ccccc2[n-]1 ZINC000163563527 544836589 /nfs/dbraw/zinc/83/65/89/544836589.db2.gz YJKPGLPOFFVUNH-SOFGYWHQSA-N -2 3 334.335 2.515 20 0 EFADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000281812107 273471799 /nfs/dbraw/zinc/47/17/99/273471799.db2.gz QFDJDADSLGFVSN-LLVKDONJSA-N -2 3 348.852 2.685 20 0 EFADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000282034188 273504852 /nfs/dbraw/zinc/50/48/52/273504852.db2.gz RQRIPKDMEQANLN-QMMMGPOBSA-N -2 3 340.228 2.915 20 0 EFADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000282071942 273510402 /nfs/dbraw/zinc/51/04/02/273510402.db2.gz VMCGAZPOOUBYSE-ZETCQYMHSA-N -2 3 326.201 2.525 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c1 ZINC000237964183 293609529 /nfs/dbraw/zinc/60/95/29/293609529.db2.gz ZISKMYZABCYSCO-UHFFFAOYSA-N -2 3 337.378 2.671 20 0 EFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000290936301 294224830 /nfs/dbraw/zinc/22/48/30/294224830.db2.gz JYIWVTZKOPTVDO-MRVPVSSYSA-N -2 3 345.364 2.545 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)CC(=O)[O-] ZINC000290962995 294232049 /nfs/dbraw/zinc/23/20/49/294232049.db2.gz NQCRKXVEFFAZGU-UHFFFAOYSA-N -2 3 345.364 2.546 20 0 EFADHL COc1ccc(C(=O)[O-])c([N-]S(=O)(=O)C2=CCCCC2)c1F ZINC000295179872 295278728 /nfs/dbraw/zinc/27/87/28/295278728.db2.gz IJLAZVSFGDZVRA-UHFFFAOYSA-N -2 3 329.349 2.732 20 0 EFADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cnc(-c2ccco2)s1 ZINC000171532676 310748679 /nfs/dbraw/zinc/74/86/79/310748679.db2.gz JGRFOXNXZPHICN-UHFFFAOYSA-N -2 3 329.263 2.792 20 0 EFADHL CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cc(F)ccc1[O-] ZINC000179649067 310789730 /nfs/dbraw/zinc/78/97/30/310789730.db2.gz GIDGUEDDGKPMDA-UHFFFAOYSA-N -2 3 338.360 2.545 20 0 EFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000297189099 310863716 /nfs/dbraw/zinc/86/37/16/310863716.db2.gz LTCUCEHIOLQFSI-ZETCQYMHSA-N -2 3 345.364 2.689 20 0 EFADHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000297233867 310869335 /nfs/dbraw/zinc/86/93/35/310869335.db2.gz PDFCUPXXTQXIEY-SSDOTTSWSA-N -2 3 345.364 2.546 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)c1F ZINC000313230989 311231772 /nfs/dbraw/zinc/23/17/72/311231772.db2.gz AZTMBKVXHBEKLD-UHFFFAOYSA-N -2 3 343.420 2.838 20 0 EFADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000316206927 311235077 /nfs/dbraw/zinc/23/50/77/311235077.db2.gz FSNAFZQSBAUWNT-NXEZZACHSA-N -2 3 335.372 2.523 20 0 EFADHL Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c([O-])c1 ZINC000327353922 311245080 /nfs/dbraw/zinc/24/50/80/311245080.db2.gz FYBVTYDHHONIBG-INIZCTEOSA-N -2 3 338.363 2.608 20 0 EFADHL [O-]c1ccc(F)c(CN=c2[n-]nc(Cc3ccccc3F)o2)c1F ZINC000438933301 312625945 /nfs/dbraw/zinc/62/59/45/312625945.db2.gz QPDFHAFWMJLEOX-UHFFFAOYSA-N -2 3 335.285 2.817 20 0 EFADHL CC[C@](C)([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1nccs1 ZINC000521869867 316048856 /nfs/dbraw/zinc/04/88/56/316048856.db2.gz UXWYOZPVAROUEM-LBPRGKRZSA-N -2 3 346.455 2.507 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000537839358 317684053 /nfs/dbraw/zinc/68/40/53/317684053.db2.gz FRVMDBWJNCKHNA-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1ccccc1-c1ccno1 ZINC000543869803 317869112 /nfs/dbraw/zinc/86/91/12/317869112.db2.gz JROATOJLQIDHLP-UHFFFAOYSA-N -2 3 334.328 2.987 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@H](C)C2)c(F)c1 ZINC000547568342 318019568 /nfs/dbraw/zinc/01/95/68/318019568.db2.gz LMUYUAVQYJQPQU-BLLLJJGKSA-N -2 3 343.420 2.694 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)c(F)c1 ZINC000547568351 318019591 /nfs/dbraw/zinc/01/95/91/318019591.db2.gz LMUYUAVQYJQPQU-WBMJQRKESA-N -2 3 343.420 2.694 20 0 EFADHL CC1([C@H]([N-]S(=O)(=O)c2ccc(F)c(F)c2)C(=O)[O-])CCCCC1 ZINC000547701297 318031744 /nfs/dbraw/zinc/03/17/44/318031744.db2.gz KTVULAOTORFPOO-CYBMUJFWSA-N -2 3 347.383 2.667 20 0 EFADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)Cc1noc2ccccc21 ZINC000547870805 318050643 /nfs/dbraw/zinc/05/06/43/318050643.db2.gz LNEMRIRLLQZURT-UHFFFAOYSA-N -2 3 346.364 2.776 20 0 EFADHL C[C@H]1CC[C@@](C[N-]S(=O)(=O)c2cc(F)cc(F)c2)(CC(=O)[O-])C1 ZINC000547899427 318051602 /nfs/dbraw/zinc/05/16/02/318051602.db2.gz VVSZPMSRMDIHDH-BONVTDFDSA-N -2 3 347.383 2.524 20 0 EFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000547896730 318051674 /nfs/dbraw/zinc/05/16/74/318051674.db2.gz PIPVJRHDMKWCMY-VIFPVBQESA-N -2 3 337.800 2.791 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C(=O)[O-])C(C)(C)C)c(Cl)cc1F ZINC000547925443 318053103 /nfs/dbraw/zinc/05/31/03/318053103.db2.gz UCEDEZDFMQISEB-LLVKDONJSA-N -2 3 337.800 2.565 20 0 EFADHL Cc1ccc(CS(=O)(=O)[N-]c2cc(F)ccc2C(=O)[O-])cc1F ZINC000548199290 318083904 /nfs/dbraw/zinc/08/39/04/318083904.db2.gz PFMZNWPVXPLSIM-UHFFFAOYSA-N -2 3 341.335 2.913 20 0 EFADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(F)cc2F)(CC(=O)[O-])C1 ZINC000548227379 318085503 /nfs/dbraw/zinc/08/55/03/318085503.db2.gz NUYIVLRWIIUQQG-BMIGLBTASA-N -2 3 347.383 2.524 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C1CC1 ZINC000548229921 318085542 /nfs/dbraw/zinc/08/55/42/318085542.db2.gz GWBKEDDURFOURA-GFCCVEGCSA-N -2 3 345.829 2.696 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])cc1F ZINC000548262360 318087448 /nfs/dbraw/zinc/08/74/48/318087448.db2.gz HBAJRIFPULEAGE-GXSJLCMTSA-N -2 3 349.399 2.831 20 0 EFADHL O=C([O-])[C@H](CCCc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000548545739 318118823 /nfs/dbraw/zinc/11/88/23/318118823.db2.gz RDTKBDRBHBGRNG-ZDUSSCGKSA-N -2 3 339.438 2.503 20 0 EFADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2ccc(F)c(F)c2)(CC(=O)[O-])C1 ZINC000548557358 318119453 /nfs/dbraw/zinc/11/94/53/318119453.db2.gz YAUMHPZVVJWEOS-BMIGLBTASA-N -2 3 347.383 2.524 20 0 EFADHL CC[C@@](C)([N-]S(=O)(=O)c1oc2ccc(Cl)cc2c1C)C(=O)[O-] ZINC000563070271 318736899 /nfs/dbraw/zinc/73/68/99/318736899.db2.gz ZPOHCBPHCHLZNY-CQSZACIVSA-N -2 3 345.804 2.926 20 0 EFADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C(=O)[O-])C(C)C)c2)n1 ZINC000563141428 318745700 /nfs/dbraw/zinc/74/57/00/318745700.db2.gz IKGVGRVORGFRGZ-HNNXBMFYSA-N -2 3 343.383 2.707 20 0 EFADHL CC[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2sc(C(=O)[O-])cc2OC)C1 ZINC000564920592 318911258 /nfs/dbraw/zinc/91/12/58/318911258.db2.gz NUGUDGQVWSQDJY-ZJUUUORDSA-N -2 3 347.458 2.702 20 0 EFADHL CCC[C@@](C)([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000566175326 319043788 /nfs/dbraw/zinc/04/37/88/319043788.db2.gz ZMQDJOSLGQHATN-OAHLLOKOSA-N -2 3 343.376 2.802 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C[C@H](C)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000568862457 319325108 /nfs/dbraw/zinc/32/51/08/319325108.db2.gz NJKIAUFDWLHLBO-NSHDSACASA-N -2 3 337.397 2.677 20 0 EFADHL C[C@@H]1CC[C@@H](C(=O)[O-])CN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000569241479 319362075 /nfs/dbraw/zinc/36/20/75/319362075.db2.gz VQVKEGGLOGGGGX-GHMZBOCLSA-N -2 3 341.367 2.767 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C(C)(C)C(=O)[O-] ZINC000571281338 319558941 /nfs/dbraw/zinc/55/89/41/319558941.db2.gz RSJQCZAAKKJWIO-UHFFFAOYSA-N -2 3 331.777 2.536 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H]1CCC[C@@H](C)C1 ZINC000573840421 319804122 /nfs/dbraw/zinc/80/41/22/319804122.db2.gz XPXLGWOGAAMNCO-NXEZZACHSA-N -2 3 347.458 2.560 20 0 EFADHL CC[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000576561217 320026759 /nfs/dbraw/zinc/02/67/59/320026759.db2.gz KAGCNUHQLVPKCH-GFCCVEGCSA-N -2 3 339.388 2.901 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2CCC(=O)[O-])c1F ZINC000578036652 320167657 /nfs/dbraw/zinc/16/76/57/320167657.db2.gz XSCZCNGQMSSPII-QWHCGFSZSA-N -2 3 343.420 2.836 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2CCC(=O)[O-])c1F ZINC000578036651 320167669 /nfs/dbraw/zinc/16/76/69/320167669.db2.gz XSCZCNGQMSSPII-OLZOCXBDSA-N -2 3 343.420 2.836 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2C2CC2)c1 ZINC000578605135 320220725 /nfs/dbraw/zinc/22/07/25/320220725.db2.gz AFXLAQDZACWIKT-CMPLNLGQSA-N -2 3 329.443 2.551 20 0 EFADHL CC(C)[C@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000399459727 323795925 /nfs/dbraw/zinc/79/59/25/323795925.db2.gz PRKJRMFTLXMNIU-UFBFGSQYSA-N -2 3 337.800 2.503 20 0 EFADHL CCc1cc(=O)[n-]c(CN(CCCC(=O)[O-])Cc2ccccc2)n1 ZINC000581017388 324288058 /nfs/dbraw/zinc/28/80/58/324288058.db2.gz IRHVMEREHMQQTM-UHFFFAOYSA-N -2 3 329.400 2.612 20 0 EFADHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000581413971 324371235 /nfs/dbraw/zinc/37/12/35/324371235.db2.gz JWVRDCQVPQTYHV-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)c(C)c(C(=O)[O-])c1)C(F)F ZINC000582670243 324644801 /nfs/dbraw/zinc/64/48/01/324644801.db2.gz SKFWFCSGCLLXCC-SNVBAGLBSA-N -2 3 341.763 2.669 20 0 EFADHL C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCC[C@@H]1C(=O)[O-] ZINC000583497947 324822724 /nfs/dbraw/zinc/82/27/24/324822724.db2.gz PVNDYJZOHCMFNL-PRHODGIISA-N -2 3 337.850 2.713 20 0 EFADHL O=C([O-])CCCCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000037374560 472011250 /nfs/dbraw/zinc/01/12/50/472011250.db2.gz AYVBFMUMUHBUER-UHFFFAOYSA-N -2 3 340.228 2.917 20 0 EFADHL COc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@H]32)c([O-])c1 ZINC000622000529 479876420 /nfs/dbraw/zinc/87/64/20/479876420.db2.gz QSPYDJGNCZJCBG-KCQAQPDRSA-N -2 3 333.384 2.506 20 0 EFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000389344316 476781003 /nfs/dbraw/zinc/78/10/03/476781003.db2.gz JUTVBKSQEMMIOL-OCCSQVGLSA-N -2 3 349.811 2.791 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(=O)[O-] ZINC000035085859 471993859 /nfs/dbraw/zinc/99/38/59/471993859.db2.gz RWBQMBSFODACMS-SECBINFHSA-N -2 3 340.228 2.752 20 0 EFADHL CC(C)(C)[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000035390665 471996436 /nfs/dbraw/zinc/99/64/36/471996436.db2.gz OLMDYDWYWRGTQR-SNVBAGLBSA-N -2 3 340.228 2.771 20 0 EFADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000037413048 472011370 /nfs/dbraw/zinc/01/13/70/472011370.db2.gz QHRTVFLCEPZUOY-LURJTMIESA-N -2 3 345.726 2.500 20 0 EFADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000084147214 472150502 /nfs/dbraw/zinc/15/05/02/472150502.db2.gz IDLLYVMZPSDBBT-UHFFFAOYSA-N -2 3 326.201 2.525 20 0 EFADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCCC1 ZINC000084147323 472151329 /nfs/dbraw/zinc/15/13/29/472151329.db2.gz ZETPNRXJHPMJJX-UHFFFAOYSA-N -2 3 337.850 2.857 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)cc1C(=O)[O-] ZINC000055548551 472202130 /nfs/dbraw/zinc/20/21/30/472202130.db2.gz AIQKDQOOMODWFF-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000085325619 472238054 /nfs/dbraw/zinc/23/80/54/472238054.db2.gz XDNHWSQPWDOQGX-XCBNKYQSSA-N -2 3 338.212 2.525 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000031666110 472387626 /nfs/dbraw/zinc/38/76/26/472387626.db2.gz OHLVTGKEEXWBFJ-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(-c2ccco2)[n-]n1 ZINC000057786362 472474604 /nfs/dbraw/zinc/47/46/04/472474604.db2.gz BUSAKKCSIYABLD-UHFFFAOYSA-N -2 3 337.295 2.678 20 0 EFADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(-c2ccco2)n[n-]1 ZINC000057786362 472474615 /nfs/dbraw/zinc/47/46/15/472474615.db2.gz BUSAKKCSIYABLD-UHFFFAOYSA-N -2 3 337.295 2.678 20 0 EFADHL O=C([N-]c1n[n-]c(-c2ccco2)n1)c1cnc([C@@H]2CCCO2)s1 ZINC000089689397 472486376 /nfs/dbraw/zinc/48/63/76/472486376.db2.gz XFTJPJFCRVIAOX-VIFPVBQESA-N -2 3 331.357 2.625 20 0 EFADHL Cc1cc(C(=O)[O-])c([O-])c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 ZINC000058377220 472557235 /nfs/dbraw/zinc/55/72/35/472557235.db2.gz OBWLGKOOVICCJE-NSHDSACASA-N -2 3 347.392 2.539 20 0 EFADHL Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c1 ZINC000058377362 472558057 /nfs/dbraw/zinc/55/80/57/472558057.db2.gz RJOZPJKSMYEQJJ-UHFFFAOYSA-N -2 3 349.408 2.876 20 0 EFADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000063345088 472771432 /nfs/dbraw/zinc/77/14/32/472771432.db2.gz IHNKDRUUKILVQV-UHFFFAOYSA-N -2 3 341.772 2.848 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)ccc1C(=O)[O-] ZINC000079097359 472819919 /nfs/dbraw/zinc/81/99/19/472819919.db2.gz HDMWQWWSYOLPSM-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)c1cccs1 ZINC000159595562 473043048 /nfs/dbraw/zinc/04/30/48/473043048.db2.gz WTAKVZOISGITRU-NSHDSACASA-N -2 3 349.792 2.645 20 0 EFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000109419688 473100011 /nfs/dbraw/zinc/10/00/11/473100011.db2.gz QSBFEGJJWUVIPF-UHFFFAOYSA-N -2 3 333.337 2.834 20 0 EFADHL CC(C)OCCS(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1[O-] ZINC000093954884 473165356 /nfs/dbraw/zinc/16/53/56/473165356.db2.gz RARVACKJRDJQAM-UHFFFAOYSA-N -2 3 327.324 2.578 20 0 EFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000136738606 473174832 /nfs/dbraw/zinc/17/48/32/473174832.db2.gz RAZMTBSTIFGQAU-LLVKDONJSA-N -2 3 337.800 2.647 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1cccs1 ZINC000127530356 473623450 /nfs/dbraw/zinc/62/34/50/473623450.db2.gz VIFODSVIQWXESF-UHFFFAOYSA-N -2 3 345.467 2.764 20 0 EFADHL CCCCN(C)S(=O)(=O)[N-]c1cc(Br)ccc1[O-] ZINC000153991187 473657725 /nfs/dbraw/zinc/65/77/25/473657725.db2.gz UFMQIPJEDMGLKZ-UHFFFAOYSA-N -2 3 337.239 2.543 20 0 EFADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc(OCc3ccccc3)ccc2[O-])C1 ZINC000263578740 473783925 /nfs/dbraw/zinc/78/39/25/473783925.db2.gz SYUKQZPFTLRHNU-CQSZACIVSA-N -2 3 341.363 2.518 20 0 EFADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1sccc1OC)C(=O)[O-] ZINC000281782439 473835528 /nfs/dbraw/zinc/83/55/28/473835528.db2.gz NEKMYCXYYLPRCL-LLVKDONJSA-N -2 3 349.474 2.706 20 0 EFADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000281812110 473846282 /nfs/dbraw/zinc/84/62/82/473846282.db2.gz QFDJDADSLGFVSN-NSHDSACASA-N -2 3 348.852 2.685 20 0 EFADHL CSCCCCC[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000274770237 473950589 /nfs/dbraw/zinc/95/05/89/473950589.db2.gz LPTDCDNZHUAQTQ-UHFFFAOYSA-N -2 3 349.449 2.644 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H](c2ccccc2)C2CC2)c(F)c1 ZINC000174271043 474015687 /nfs/dbraw/zinc/01/56/87/474015687.db2.gz DFUOTONUGKVJTF-INIZCTEOSA-N -2 3 349.383 2.954 20 0 EFADHL C[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000270531404 474157590 /nfs/dbraw/zinc/15/75/90/474157590.db2.gz VAOIYCFEZROFRR-SSDOTTSWSA-N -2 3 333.818 2.696 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)ccc1[O-] ZINC000175689516 474283160 /nfs/dbraw/zinc/28/31/60/474283160.db2.gz CEVKGTSYSKNGCS-UHFFFAOYSA-N -2 3 346.408 2.640 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(F)ccc2C)ccc1[O-] ZINC000175688851 474283423 /nfs/dbraw/zinc/28/34/23/474283423.db2.gz JPBBYTXTTVPRQP-UHFFFAOYSA-N -2 3 338.360 2.599 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc3[nH]ccc32)ccc1[O-] ZINC000175692228 474284782 /nfs/dbraw/zinc/28/47/82/474284782.db2.gz YRACJNQDBXZBHU-UHFFFAOYSA-N -2 3 345.380 2.633 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H](C)c2ccccc2)c1 ZINC000184841600 474618202 /nfs/dbraw/zinc/61/82/02/474618202.db2.gz HKXMYIYDTGBRBU-LLVKDONJSA-N -2 3 337.372 2.872 20 0 EFADHL CC[C@@H](C)[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000314752670 474865961 /nfs/dbraw/zinc/86/59/61/474865961.db2.gz FGQNLDNVIGYTSO-BDAKNGLRSA-N -2 3 349.836 2.760 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1F ZINC000316413944 474878198 /nfs/dbraw/zinc/87/81/98/474878198.db2.gz OKJKDUSEMYPDDY-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(Cl)cc1F ZINC000318878324 474893855 /nfs/dbraw/zinc/89/38/55/474893855.db2.gz ACCGAUYYLQVYCH-UHFFFAOYSA-N -2 3 346.767 2.625 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000319907032 474904172 /nfs/dbraw/zinc/90/41/72/474904172.db2.gz ZRYXLZYMUVGHFS-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)CC1 ZINC000319880138 474904705 /nfs/dbraw/zinc/90/47/05/474904705.db2.gz QDBZZBTUPZHVAV-CMPLNLGQSA-N -2 3 329.393 2.771 20 0 EFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1 ZINC000320279233 474909045 /nfs/dbraw/zinc/90/90/45/474909045.db2.gz NJQUTVQZJSYRBN-UHFFFAOYSA-N -2 3 345.298 2.532 20 0 EFADHL COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000326369387 475004002 /nfs/dbraw/zinc/00/40/02/475004002.db2.gz JBLUCCYKMPWLDW-UHFFFAOYSA-N -2 3 349.408 2.683 20 0 EFADHL CC1(C)Cc2cc([N-]S(=O)(=O)c3cccc(C(=O)[O-])c3)ccc2O1 ZINC000345681150 475362756 /nfs/dbraw/zinc/36/27/56/475362756.db2.gz IJMCBFIIGBERLD-UHFFFAOYSA-N -2 3 347.392 2.899 20 0 EFADHL CCO[C@@H](C)c1ncc(C(=O)[N-]c2n[n-]c(C(F)(F)F)n2)s1 ZINC000361365719 475389783 /nfs/dbraw/zinc/38/97/83/475389783.db2.gz MOCWCWWNYWCFAP-YFKPBYRVSA-N -2 3 335.311 2.630 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)c1 ZINC000345742383 475411117 /nfs/dbraw/zinc/41/11/17/475411117.db2.gz BJJGUKGJDDTTEO-UHFFFAOYSA-N -2 3 345.351 2.897 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCO3)c(C)c1C(=O)[O-] ZINC000338124064 475606508 /nfs/dbraw/zinc/60/65/08/475606508.db2.gz IOJYVKJQGQXLEW-UHFFFAOYSA-N -2 3 347.392 2.737 20 0 EFADHL O=C([O-])CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000297309896 475701592 /nfs/dbraw/zinc/70/15/92/475701592.db2.gz WDDJCRKCLSZMAT-HZMBPMFUSA-N -2 3 347.383 2.667 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C[C@@H]2CCC[C@@H]2C)c1 ZINC000346675752 475753586 /nfs/dbraw/zinc/75/35/86/475753586.db2.gz QJDZUVVSNITVDX-QWRGUYRKSA-N -2 3 329.393 2.547 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)O3)cc1C(=O)[O-] ZINC000362126961 476017578 /nfs/dbraw/zinc/01/75/78/476017578.db2.gz WSZVNRCMQSNERN-NSHDSACASA-N -2 3 347.392 2.817 20 0 EFADHL CC(C)(C)CC[C@@H]([N-]S(=O)(=O)c1cc(F)cc(F)c1)C(=O)[O-] ZINC000362234627 476099400 /nfs/dbraw/zinc/09/94/00/476099400.db2.gz NAFJIWVYFYHZNU-GFCCVEGCSA-N -2 3 335.372 2.523 20 0 EFADHL O=C([O-])Cc1cccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)c1 ZINC000357016286 476158542 /nfs/dbraw/zinc/15/85/42/476158542.db2.gz MWGSMGFAOHBKJR-UHFFFAOYSA-N -2 3 343.763 2.907 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c(C)c1 ZINC000336876422 476161775 /nfs/dbraw/zinc/16/17/75/476161775.db2.gz SHOBFFLHMWZEMA-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CN(C)c1nc(C(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc(=O)[n-]1 ZINC000338808220 476205485 /nfs/dbraw/zinc/20/54/85/476205485.db2.gz IFHUXOAMZGZBGX-UHFFFAOYSA-N -2 3 343.170 2.513 20 0 EFADHL CCCOc1ccc([N-]S(=O)(=O)c2cccc(CC(=O)[O-])c2)cc1 ZINC000357075691 476210372 /nfs/dbraw/zinc/21/03/72/476210372.db2.gz NYPMOVVSMDCCBF-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL O=S(=O)(CCCOCc1ccccc1)[N-]c1ccc(F)cc1[O-] ZINC000304344869 476280318 /nfs/dbraw/zinc/28/03/18/476280318.db2.gz JNDYILXFPDMMOS-UHFFFAOYSA-N -2 3 339.388 2.880 20 0 EFADHL O=C(Nc1ccc(-c2nnn[n-]2)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000363426680 476379954 /nfs/dbraw/zinc/37/99/54/476379954.db2.gz GQXNVMPNJQSYEG-UHFFFAOYSA-N -2 3 338.352 2.549 20 0 EFADHL O=C(Nc1ccc(-c2nn[n-]n2)cc1)c1ccc2[n-]c(=S)oc2c1 ZINC000363426680 476379958 /nfs/dbraw/zinc/37/99/58/476379958.db2.gz GQXNVMPNJQSYEG-UHFFFAOYSA-N -2 3 338.352 2.549 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(C)c1F ZINC000361007819 476540198 /nfs/dbraw/zinc/54/01/98/476540198.db2.gz SRJRUDZINQQQBO-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccccc2F)CCCCC1 ZINC000386782235 476768313 /nfs/dbraw/zinc/76/83/13/476768313.db2.gz JTODLCHEZANIJY-UHFFFAOYSA-N -2 3 329.393 2.529 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000387581501 476773655 /nfs/dbraw/zinc/77/36/55/476773655.db2.gz MJRDOKCIBLVRFK-GXTWGEPZSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000387930886 476774857 /nfs/dbraw/zinc/77/48/57/476774857.db2.gz VSNIWPKHLXGJFI-RISCZKNCSA-N -2 3 349.811 2.791 20 0 EFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000399463375 476884297 /nfs/dbraw/zinc/88/42/97/476884297.db2.gz QWTUWNLLNPZGJU-QPUJVOFHSA-N -2 3 337.800 2.503 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c(F)c1 ZINC000404969512 476924842 /nfs/dbraw/zinc/92/48/42/476924842.db2.gz NFCSHOLGBWKUFX-RYUDHWBXSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1ccc([O-])c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000432111191 477160435 /nfs/dbraw/zinc/16/04/35/477160435.db2.gz WFNQGTOYTNZHMH-HNNXBMFYSA-N -2 3 327.380 2.907 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000424394834 477389513 /nfs/dbraw/zinc/38/95/13/477389513.db2.gz UIXPYTWDIYSLOS-UHFFFAOYSA-N -2 3 339.388 2.758 20 0 EFADHL Cc1cccc(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1[O-] ZINC000436593113 477527728 /nfs/dbraw/zinc/52/77/28/477527728.db2.gz AFPUUJCPXVCMHE-UHFFFAOYSA-N -2 3 346.184 2.785 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cc(C)c(C)s1 ZINC000436632766 477539265 /nfs/dbraw/zinc/53/92/65/477539265.db2.gz GHUZWQFCEVHUDE-UHFFFAOYSA-N -2 3 341.410 2.658 20 0 EFADHL O=C(N=c1[nH][n-]cc1Br)c1cc2ccccc2cc1[O-] ZINC000436738201 477575521 /nfs/dbraw/zinc/57/55/21/477575521.db2.gz KZHFPIUBWHUMRI-UHFFFAOYSA-N -2 3 332.157 2.705 20 0 EFADHL CC[C@](NC(=O)c1cc(OC)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC000436783897 477589125 /nfs/dbraw/zinc/58/91/25/477589125.db2.gz JAJBGFIPBMCVCV-GOSISDBHSA-N -2 3 329.352 2.521 20 0 EFADHL CCc1[n-][nH]c(=NC(=O)c2cc(F)cc(Br)c2[O-])c1C ZINC000436857214 477614498 /nfs/dbraw/zinc/61/44/98/477614498.db2.gz CNUGDQVJOWYWRS-UHFFFAOYSA-N -2 3 342.168 2.562 20 0 EFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cl)c2)c1 ZINC000436892526 477627129 /nfs/dbraw/zinc/62/71/29/477627129.db2.gz KGRCESZUOYLFEE-UHFFFAOYSA-N -3 3 327.745 2.545 20 0 EFADHL O=c1cc(C=Cc2cc(F)c([O-])c(F)c2)nc(-c2ccncc2)[n-]1 ZINC000436932189 477640066 /nfs/dbraw/zinc/64/00/66/477640066.db2.gz MQYSCXXTIZZRCF-OWOJBTEDSA-N -2 3 327.290 2.986 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2cc(F)c([O-])c(F)c2)c([O-])c1 ZINC000436967618 477652619 /nfs/dbraw/zinc/65/26/19/477652619.db2.gz QLWFZMPICSHWHD-UHFFFAOYSA-N -2 3 337.278 2.805 20 0 EFADHL COc1cccc(C(=O)N=c2cc(-c3cccc(F)c3F)[n-][nH]2)c1[O-] ZINC000436996046 477660661 /nfs/dbraw/zinc/66/06/61/477660661.db2.gz AVDWMXGCZOTLGY-UHFFFAOYSA-N -2 3 345.305 2.743 20 0 EFADHL Cc1ccc2c(CN3CCCC[C@H]3c3n[nH]c(=O)[n-]3)ccc([O-])c2n1 ZINC000450986745 477783371 /nfs/dbraw/zinc/78/33/71/477783371.db2.gz QVPSHMUIMABVJL-AWEZNQCLSA-N -2 3 339.399 2.800 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2scnc2C(C)C)c1 ZINC000451101602 477823877 /nfs/dbraw/zinc/82/38/77/477823877.db2.gz FGFMSSCCEJLAJF-UHFFFAOYSA-N -2 3 328.415 2.782 20 0 EFADHL C[C@@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000558642724 477903955 /nfs/dbraw/zinc/90/39/55/477903955.db2.gz BNEIPWTZISRYPS-ZETCQYMHSA-N -2 3 345.364 2.546 20 0 EFADHL COC1(CS(=O)(=O)[N-]c2cc(C)cc(C)c2C(=O)[O-])CCCC1 ZINC000516519915 477943695 /nfs/dbraw/zinc/94/36/95/477943695.db2.gz CKIPHGCVLCUGSM-UHFFFAOYSA-N -2 3 341.429 2.703 20 0 EFADHL CO[C@@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(C)ccc1[O-] ZINC000421149886 477983372 /nfs/dbraw/zinc/98/33/72/477983372.db2.gz IFXACKPRTPDLRY-HNNXBMFYSA-N -2 3 335.425 2.700 20 0 EFADHL CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000421158178 477986694 /nfs/dbraw/zinc/98/66/94/477986694.db2.gz UAQCGSLSSYMXTH-LLVKDONJSA-N -2 3 349.836 2.841 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CC(C)(C)CC(C)C ZINC000517137746 478054076 /nfs/dbraw/zinc/05/40/76/478054076.db2.gz PGCNYEQDBCMCNG-UHFFFAOYSA-N -2 3 349.474 2.806 20 0 EFADHL CC(C)[C@@H]1C[C@]([N-]S(=O)(=O)c2ccoc2)(C(=O)[O-])c2ccccc21 ZINC000560418793 478072533 /nfs/dbraw/zinc/07/25/33/478072533.db2.gz IQLDUINNLYFTJL-WMLDXEAASA-N -2 3 349.408 2.681 20 0 EFADHL Cc1csc(S(=O)(=O)[N-]CC2(CC(=O)[O-])CCCCC2)c1 ZINC000560480941 478090641 /nfs/dbraw/zinc/09/06/41/478090641.db2.gz DFAQOXIAPDRNPC-UHFFFAOYSA-N -2 3 331.459 2.760 20 0 EFADHL Cc1ccc(CS(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1F ZINC000518048718 478140824 /nfs/dbraw/zinc/14/08/24/478140824.db2.gz QRMBKOJOXQBKSM-UHFFFAOYSA-N -2 3 341.335 2.913 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CC(=O)[O-])cc1F ZINC000519524380 478229177 /nfs/dbraw/zinc/22/91/77/478229177.db2.gz PMOWBHWJITYBCV-ZWNOBZJWSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1cc([C@H](C)[N-]S(=O)(=O)c2csnc2C(=O)[O-])c(C)s1 ZINC000570088600 478280175 /nfs/dbraw/zinc/28/01/75/478280175.db2.gz KAXJMTVZLUXYNL-ZETCQYMHSA-N -2 3 346.455 2.559 20 0 EFADHL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cccc([O-])c1F ZINC000562937587 478386761 /nfs/dbraw/zinc/38/67/61/478386761.db2.gz LXOUKNWOEHIEIN-CYBMUJFWSA-N -2 3 339.388 2.531 20 0 EFADHL CC1(C)CCC([N-]S(=O)(=O)c2ccc(F)cc2F)(C(=O)[O-])CC1 ZINC000541001639 478527326 /nfs/dbraw/zinc/52/73/26/478527326.db2.gz FWDULAXOWMOJDW-UHFFFAOYSA-N -2 3 347.383 2.667 20 0 EFADHL O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)N1Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000563455320 478565038 /nfs/dbraw/zinc/56/50/38/478565038.db2.gz MANNCYQQWFRULS-HOTGVXAUSA-N -2 3 339.395 2.850 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)c1F ZINC000571350024 478576056 /nfs/dbraw/zinc/57/60/56/478576056.db2.gz ZVTYVIODPCLPIF-LLVKDONJSA-N -2 3 331.409 2.549 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]Cc2ccc(C3CC3)cc2)cc1C(=O)[O-] ZINC000572280957 478794933 /nfs/dbraw/zinc/79/49/33/478794933.db2.gz ZQBKWZQQAFMMNQ-UHFFFAOYSA-N -2 3 335.381 2.642 20 0 EFADHL Cc1ccc([O-])c(C(=O)N=c2cc3ccc(Br)cn3[n-]2)c1 ZINC000511330740 478977082 /nfs/dbraw/zinc/97/70/82/478977082.db2.gz ALRRGGAZLNMVHY-UHFFFAOYSA-N -2 3 346.184 2.785 20 0 EFADHL CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(F)c1OC ZINC000573203723 479013416 /nfs/dbraw/zinc/01/34/16/479013416.db2.gz SOASGNOCPCRNAW-ZJUUUORDSA-N -2 3 347.408 2.636 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H](c2ccccc2)[C@@H](C)C(=O)[O-])c1 ZINC000556703151 479177933 /nfs/dbraw/zinc/17/79/33/479177933.db2.gz NVXZCOXJIVFWNE-RISCZKNCSA-N -2 3 339.438 2.797 20 0 EFADHL CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(C)=O)c2[O-])c1 ZINC000578870943 479623700 /nfs/dbraw/zinc/62/37/00/479623700.db2.gz QIEBMTRPKXFMOV-UHFFFAOYSA-N -2 3 328.324 2.511 20 0 EFADHL COc1ccc([O-])c(C(=O)N2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])c1 ZINC000621583839 479708662 /nfs/dbraw/zinc/70/86/62/479708662.db2.gz WPVHGJASZRGDHU-CJNGLKHVSA-N -2 3 347.411 2.896 20 0 EFADHL CCO[C@H](CS(=O)(=O)[N-]c1ccc(Cl)c(C(=O)[O-])c1)C1CC1 ZINC000629288249 480201055 /nfs/dbraw/zinc/20/10/55/480201055.db2.gz FNGMUSKRGSAYBU-CYBMUJFWSA-N -2 3 347.820 2.595 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c(F)c1F ZINC000629295141 480203674 /nfs/dbraw/zinc/20/36/74/480203674.db2.gz LQNPPWAKLSVZJA-UHFFFAOYSA-N -2 3 349.399 2.833 20 0 EFADHL CCCCn1cc(S(=O)(=O)[N-]c2cc([O-])c(F)cc2F)c(C)n1 ZINC000634793309 480532036 /nfs/dbraw/zinc/53/20/36/480532036.db2.gz DWOBMPZHYSBRBD-UHFFFAOYSA-N -2 3 345.371 2.776 20 0 EFADHL Cc1ccc(-c2cc(C(=O)N=c3nc(CC(C)C)[n-]s3)[n-]n2)o1 ZINC000618346626 480628825 /nfs/dbraw/zinc/62/88/25/480628825.db2.gz BDFVOHOYOICYJU-UHFFFAOYSA-N -2 3 331.401 2.702 20 0 EFADHL Cc1ccc(-c2cc(C(=O)N=c3nc(CC(C)C)[n-]s3)n[n-]2)o1 ZINC000618346626 480628831 /nfs/dbraw/zinc/62/88/31/480628831.db2.gz BDFVOHOYOICYJU-UHFFFAOYSA-N -2 3 331.401 2.702 20 0 EFADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1ccc([O-])c(Cl)c1 ZINC000636318379 480904957 /nfs/dbraw/zinc/90/49/57/480904957.db2.gz SWRZBCOSJHNIJL-UHFFFAOYSA-N -2 3 333.775 2.739 20 0 EFADHL CCc1ccc(C(=O)NCc2cc(=O)[n-]c(C3CCC3)n2)c([O-])c1 ZINC000636321741 480906474 /nfs/dbraw/zinc/90/64/74/480906474.db2.gz WEYNBNILCSRWOG-UHFFFAOYSA-N -2 3 327.384 2.648 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@H](C)CCCC(C)C ZINC000645940338 480980163 /nfs/dbraw/zinc/98/01/63/480980163.db2.gz HGIMSPLPAAATSP-SNVBAGLBSA-N -2 3 349.474 2.948 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])c1ccccc1 ZINC000645945002 480983469 /nfs/dbraw/zinc/98/34/69/480983469.db2.gz AMWVJHXIGJSXSY-NSHDSACASA-N -2 3 340.426 2.661 20 0 EFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)c1ccccc1 ZINC000645952984 480987790 /nfs/dbraw/zinc/98/77/90/480987790.db2.gz POXIMYZDQVFYEH-ZDUSSCGKSA-N -2 3 337.397 2.696 20 0 EFADHL CO[C@H]1CCCC[C@H]1S(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-] ZINC000641683339 481002049 /nfs/dbraw/zinc/00/20/49/481002049.db2.gz NFODSFPDFXJWRZ-NWDGAFQWSA-N -2 3 347.820 2.738 20 0 EFADHL C[C@H](C[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1Cl)CC(F)F ZINC000647606350 481008698 /nfs/dbraw/zinc/00/86/98/481008698.db2.gz SZFBBCKAPCRLGJ-ZETCQYMHSA-N -2 3 341.763 2.608 20 0 EFADHL C[C@@H](C(=O)[O-])C1([N-]S(=O)(=O)c2ccc3ccccc3c2F)CC1 ZINC000650427577 481090721 /nfs/dbraw/zinc/09/07/21/481090721.db2.gz MVNQEZLUTLSZAR-JTQLQIEISA-N -2 3 337.372 2.511 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1C[C@H]1CC(C)(C)C ZINC000650441422 481097389 /nfs/dbraw/zinc/09/73/89/481097389.db2.gz SUZHQADIIZBGCW-DTWKUNHWSA-N -2 3 347.458 2.558 20 0 EFADHL COc1cc(C)cc(C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c1[O-] ZINC000669433949 481122711 /nfs/dbraw/zinc/12/27/11/481122711.db2.gz BXTBYQIRCQJQPA-CYBMUJFWSA-N -2 3 341.363 2.928 20 0 EFADHL O=C([O-])CN(CC1CC1)C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000653325086 481227417 /nfs/dbraw/zinc/22/74/17/481227417.db2.gz LMDLJGXRYROAPO-UHFFFAOYSA-N -2 3 339.391 2.920 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)[C@@H]2C[C@H](C(=O)[O-])C2(C)C)c(F)c1 ZINC000653494528 481282352 /nfs/dbraw/zinc/28/23/52/481282352.db2.gz CRSKDBJJUOIMDE-SDDRHHMPSA-N -2 3 343.420 2.548 20 0 EFADHL O=C(N=c1[n-]ncs1)c1cc2cc(Br)sc2[n-]1 ZINC000646624258 481410053 /nfs/dbraw/zinc/41/00/53/481410053.db2.gz FKPDCJITZYGSLJ-UHFFFAOYSA-N -2 3 329.204 2.518 20 0 EFADHL CCc1cc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)ccc1[O-] ZINC000643971117 481662371 /nfs/dbraw/zinc/66/23/71/481662371.db2.gz LUZNRCNUCKIIKF-UHFFFAOYSA-N -2 3 325.324 2.550 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C1CCC1 ZINC000654770206 482044568 /nfs/dbraw/zinc/04/45/68/482044568.db2.gz QRYYOELWYXFAJF-HNNXBMFYSA-N -2 3 337.372 2.511 20 0 EFADHL O=C([O-])[C@H](C(=O)Nc1cc(Br)ccc1[O-])C1CCCC1 ZINC000663116106 482077768 /nfs/dbraw/zinc/07/77/68/482077768.db2.gz ONNXISRLHNPAOE-LBPRGKRZSA-N -2 3 342.189 2.984 20 0 EFADHL CC[C@H](C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1)c1ccccc1 ZINC000663419922 482221876 /nfs/dbraw/zinc/22/18/76/482221876.db2.gz NJGYIXMYBSRPJP-GFCCVEGCSA-N -2 3 337.397 2.758 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@@H]3C2)oc1C(=O)[O-] ZINC000663420125 482221955 /nfs/dbraw/zinc/22/19/55/482221955.db2.gz FBWXGNHUWJPGFW-JHJVBQTASA-N -2 3 341.429 2.923 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@@H]3C2)oc1C(=O)[O-] ZINC000663420129 482223129 /nfs/dbraw/zinc/22/31/29/482223129.db2.gz FBWXGNHUWJPGFW-YNEHKIRRSA-N -2 3 341.429 2.923 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](c2ccccc2)C(C)C)oc1C(=O)[O-] ZINC000663421598 482223396 /nfs/dbraw/zinc/22/33/96/482223396.db2.gz VMWFEKIDFCJYDL-CQSZACIVSA-N -2 3 337.397 2.962 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)CC2CCCCC2)oc1C(=O)[O-] ZINC000663423170 482224539 /nfs/dbraw/zinc/22/45/39/482224539.db2.gz RFMTYBDWJCXOTM-LLVKDONJSA-N -2 3 329.418 2.923 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000663423026 482224588 /nfs/dbraw/zinc/22/45/88/482224588.db2.gz QOVXLEGGFJLYBC-VXGBXAGGSA-N -2 3 337.397 2.757 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCc3sccc32)oc1C(=O)[O-] ZINC000663422681 482225119 /nfs/dbraw/zinc/22/51/19/482225119.db2.gz MKSGSRTXBMKTKK-JTQLQIEISA-N -2 3 341.410 2.704 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2CCC(C(C)C)CC2)oc1C(=O)[O-] ZINC000663423341 482225822 /nfs/dbraw/zinc/22/58/22/482225822.db2.gz AWUUKOPGDAIIAC-UHFFFAOYSA-N -2 3 329.418 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)oc1C(=O)[O-] ZINC000663424964 482226028 /nfs/dbraw/zinc/22/60/28/482226028.db2.gz PKCCVHBMMXUDCY-JOCQHMNTSA-N -2 3 335.381 2.511 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)oc1C(=O)[O-] ZINC000663425139 482226265 /nfs/dbraw/zinc/22/62/65/482226265.db2.gz WDPQDNBOHNOJPX-CQSZACIVSA-N -2 3 349.408 2.586 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C2CCC2)C2CCCC2)oc1C(=O)[O-] ZINC000663426901 482228241 /nfs/dbraw/zinc/22/82/41/482228241.db2.gz OQTQRJHDSWYNIC-CQSZACIVSA-N -2 3 341.429 2.923 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C2CCC(C3CCC3)CC2)cc1C(=O)[O-] ZINC000663431219 482231647 /nfs/dbraw/zinc/23/16/47/482231647.db2.gz IHNKYGYXNJJLKT-UHFFFAOYSA-N -2 3 341.429 2.923 20 0 EFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000262458558 519353888 /nfs/dbraw/zinc/35/38/88/519353888.db2.gz LWCRPKVGNCGEHV-SECBINFHSA-N -2 3 337.800 2.504 20 0 EFADHL COc1ccc(Cl)c([N-]S(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000070157939 524187252 /nfs/dbraw/zinc/18/72/52/524187252.db2.gz SPZVAYUPFAMTFP-UHFFFAOYSA-N -2 3 347.801 2.909 20 0 EFADHL C[C@@H]1C[C@H](C(=O)[O-])CN(Cc2cccc([O-])c2Br)C1 ZINC000263028988 525367595 /nfs/dbraw/zinc/36/75/95/525367595.db2.gz GRSUXMBAUCFEHM-KOLCDFICSA-N -2 3 328.206 2.697 20 0 EFADHL Cc1ccc(C(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c([O-])c1 ZINC000262960776 526138844 /nfs/dbraw/zinc/13/88/44/526138844.db2.gz RRZJSTVZFDNDSZ-JKSUJKDBSA-N -2 3 325.364 2.641 20 0 EFADHL O=C([O-])C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Cl)cc1 ZINC000117107056 527632849 /nfs/dbraw/zinc/63/28/49/527632849.db2.gz IBPYOYOLKZIYBN-ZDUSSCGKSA-N -2 3 344.758 2.557 20 0 EFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2Cl)cc1 ZINC000078365100 527638662 /nfs/dbraw/zinc/63/86/62/527638662.db2.gz VLNZSBYOLAULPB-UHFFFAOYSA-N -2 3 343.763 2.907 20 0 EFADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(C)c1OC ZINC000352026542 536612945 /nfs/dbraw/zinc/61/29/45/536612945.db2.gz KOQHSERHUBEUHC-VURMDHGXSA-N -2 3 344.367 2.614 20 0 EFADHL O=C([O-])Cc1csc(NC(=O)c2c[n-]nc2-c2ccc(F)cc2)n1 ZINC000238141034 545570820 /nfs/dbraw/zinc/57/08/20/545570820.db2.gz NPPSCMRAXLGWTH-UHFFFAOYSA-N -2 3 346.343 2.552 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c1F ZINC000313226881 545810450 /nfs/dbraw/zinc/81/04/50/545810450.db2.gz NGYQFCLNDPGDJK-SNVBAGLBSA-N -2 3 343.401 2.690 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H](CC(=O)[O-])c2cccs2)c(F)c1 ZINC000404996520 546172057 /nfs/dbraw/zinc/17/20/57/546172057.db2.gz VRZYFZDCNPASCW-LLVKDONJSA-N -2 3 343.401 2.690 20 0 EFADHL C[C@H](CC(F)(F)F)CS(=O)(=O)[N-]c1cccc(F)c1C(=O)[O-] ZINC000656509884 546825116 /nfs/dbraw/zinc/82/51/16/546825116.db2.gz ZKIJGBWCMCUKDC-SSDOTTSWSA-N -2 3 343.298 2.854 20 0 EFADHL CCC(C)(C)[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000656717508 546899724 /nfs/dbraw/zinc/89/97/24/546899724.db2.gz WSALDXBWRNXVCQ-QMMMGPOBSA-N -2 3 335.447 2.558 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H]2CCCc3ccc(C(=O)[O-])cc32)o1 ZINC000656720194 546900414 /nfs/dbraw/zinc/90/04/14/546900414.db2.gz XBIXKELGAGACJO-AWEZNQCLSA-N -2 3 349.408 2.685 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](CCC(=O)[O-])C2(C)C)c(F)c1 ZINC000657142292 547043280 /nfs/dbraw/zinc/04/32/80/547043280.db2.gz DLQRQIYYVJBITM-RISCZKNCSA-N -2 3 343.420 2.692 20 0 EFADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000657143129 547043831 /nfs/dbraw/zinc/04/38/31/547043831.db2.gz PPEVTVWBJOIHTL-RNCFNFMXSA-N -2 3 347.383 2.523 20 0 EFADHL O=C([O-])c1cnc(C=Cc2cnn(-c3ccc(Cl)cc3)c2)[n-]c1=O ZINC000670370049 547473544 /nfs/dbraw/zinc/47/35/44/547473544.db2.gz SYKYBQFMNVHYDY-BHQIHCQQSA-N -2 3 342.742 2.890 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc(F)c(Br)c2)[n-]c1=O ZINC000670370269 547473844 /nfs/dbraw/zinc/47/38/44/547473844.db2.gz WVEPPCVMMOKNDC-DUXPYHPUSA-N -2 3 339.120 2.952 20 0 EFADHL CCc1cccc(C(=O)Nc2cccc(-c3nc(=O)o[n-]3)c2)c1[O-] ZINC000674361767 548073155 /nfs/dbraw/zinc/07/31/55/548073155.db2.gz TVSISCDYMIZFAS-UHFFFAOYSA-N -2 3 325.324 2.550 20 0 EFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2F)cc1 ZINC000169975150 564104131 /nfs/dbraw/zinc/10/41/31/564104131.db2.gz FNYFWBYZZXGBDF-UHFFFAOYSA-N -2 3 345.298 2.532 20 0 EFADHL O=C(CSc1n[n-]c(=S)s1)Nc1ccc(Cl)cc1[O-] ZINC000759695805 575922151 /nfs/dbraw/zinc/92/21/51/575922151.db2.gz DELSXTVFTIZJRL-UHFFFAOYSA-N -2 3 333.847 2.917 20 0 EFADHL Cc1cc(C(=O)[O-])cc(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)C2)c1F ZINC000761264205 576137618 /nfs/dbraw/zinc/13/76/18/576137618.db2.gz DARDITHCXSILCG-SKDRFNHKSA-N -2 3 329.393 2.689 20 0 EFADHL CCOC(=O)c1cnc(NC(=O)c2cc3ccccc3cc2[O-])[n-]1 ZINC000585682290 577241533 /nfs/dbraw/zinc/24/15/33/577241533.db2.gz JJJYYBGYMXQYMM-UHFFFAOYSA-N -2 3 325.324 2.698 20 0 EFADHL CCOC(=O)c1c[n-]c(NC(=O)c2cc3ccccc3cc2[O-])n1 ZINC000585682290 577241537 /nfs/dbraw/zinc/24/15/37/577241537.db2.gz JJJYYBGYMXQYMM-UHFFFAOYSA-N -2 3 325.324 2.698 20 0 EFADHL CSCCCCC[N-]S(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000773982232 581476649 /nfs/dbraw/zinc/47/66/49/581476649.db2.gz LNFYUSQMKRJKFK-UHFFFAOYSA-N -2 3 349.449 2.644 20 0 EFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000137193606 601612683 /nfs/dbraw/zinc/61/26/83/601612683.db2.gz YPSMTIUSQCUKJR-SECBINFHSA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])[C@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000739504500 599759500 /nfs/dbraw/zinc/75/95/00/599759500.db2.gz KEMRTDFLFBECRA-OAHLLOKOSA-N -2 3 349.346 2.997 20 0 EFADHL CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315868155 599769249 /nfs/dbraw/zinc/76/92/49/599769249.db2.gz NAKBDIMBTDPUDV-UTUOFQBUSA-N -2 3 329.418 2.717 20 0 EFADHL CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315868150 599769452 /nfs/dbraw/zinc/76/94/52/599769452.db2.gz NAKBDIMBTDPUDV-GRYCIOLGSA-N -2 3 329.418 2.717 20 0 EFADHL C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000315842909 599770528 /nfs/dbraw/zinc/77/05/28/599770528.db2.gz KUMZJLHTWHRJOO-VIFPVBQESA-N -2 3 343.788 2.541 20 0 EFADHL O=C([O-])CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1 ZINC000392463221 599852572 /nfs/dbraw/zinc/85/25/72/599852572.db2.gz OLRBSPIYHSCZNM-UHFFFAOYSA-N -2 3 345.420 2.993 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(CCC(=O)[O-])cc2)cc1C ZINC000392546081 599853185 /nfs/dbraw/zinc/85/31/85/599853185.db2.gz GYYIQEDDFHHKKJ-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccnc1Cl ZINC000113456906 599904854 /nfs/dbraw/zinc/90/48/54/599904854.db2.gz CXXDUOREHWFMEB-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cccc(NC(=O)[O-])c3)ccc2O1 ZINC000736826566 599938976 /nfs/dbraw/zinc/93/89/76/599938976.db2.gz VJYDZNRUQZVAMX-JTQLQIEISA-N -2 3 348.380 2.901 20 0 EFADHL O=C([O-])c1ccc(F)cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000740145268 600098429 /nfs/dbraw/zinc/09/84/29/600098429.db2.gz PTRXMPSVLFRLDN-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL CC[C@](NC(=O)c1ccc(OC)cc1[O-])(C(=O)[O-])c1ccccc1 ZINC000736917170 600134868 /nfs/dbraw/zinc/13/48/68/600134868.db2.gz PXKCBKYBAQWMDG-GOSISDBHSA-N -2 3 329.352 2.521 20 0 EFADHL C[C@]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)(C(=O)[O-])C1CC1 ZINC000037463756 600239872 /nfs/dbraw/zinc/23/98/72/600239872.db2.gz QSTGRMRGZWXXJG-GFCCVEGCSA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1Cl ZINC000740318303 600482900 /nfs/dbraw/zinc/48/29/00/600482900.db2.gz ZOZVNVTUEVDKPC-JYRVWZFOSA-N -2 3 342.738 2.761 20 0 EFADHL O=C([O-])CCCOc1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000739687521 600489671 /nfs/dbraw/zinc/48/96/71/600489671.db2.gz MCYDHPVZVDAUOY-UHFFFAOYSA-N -2 3 335.381 2.731 20 0 EFADHL O=C([O-])Nc1ccc(CCNC(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000740023508 600500766 /nfs/dbraw/zinc/50/07/66/600500766.db2.gz PTVQWQKYPHKQSZ-UHFFFAOYSA-N -2 3 347.346 2.663 20 0 EFADHL O=C([O-])CCCc1nnc([N-]C(=O)c2csc(C3CC3)n2)s1 ZINC000739711716 600539895 /nfs/dbraw/zinc/53/98/95/600539895.db2.gz PBJFDAQTWPWAGF-UHFFFAOYSA-N -2 3 338.414 2.532 20 0 EFADHL O=C([O-])c1cc2ccccc2cc1[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000731902367 600693518 /nfs/dbraw/zinc/69/35/18/600693518.db2.gz HAWQJTGPYPNTHN-AWEZNQCLSA-N -2 3 349.408 2.849 20 0 EFADHL O=C([O-])[C@@H](CNC(=O)c1cc(=O)c2ccccc2[n-]1)c1ccccc1 ZINC000327621359 601072042 /nfs/dbraw/zinc/07/20/42/601072042.db2.gz OHGRUVLXHKGYRM-AWEZNQCLSA-N -2 3 336.347 2.539 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccccc2Cl)cc1C(=O)[O-] ZINC000833028111 601214942 /nfs/dbraw/zinc/21/49/42/601214942.db2.gz JIIUKBJOAQNAPM-QMMMGPOBSA-N -2 3 343.788 2.979 20 0 EFADHL CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000314280413 601227743 /nfs/dbraw/zinc/22/77/43/601227743.db2.gz VXRZBDASPGWBKV-SECBINFHSA-N -2 3 335.372 2.766 20 0 EFADHL C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000314155975 601227870 /nfs/dbraw/zinc/22/78/70/601227870.db2.gz JKHBJKYHCCYOEW-SCZZXKLOSA-N -2 3 333.356 2.520 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCCC2CCCC2)c1F ZINC000323019035 601229862 /nfs/dbraw/zinc/22/98/62/601229862.db2.gz XVJRCJKEHHCWOQ-UHFFFAOYSA-N -2 3 347.383 2.912 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c(C)c1 ZINC000325026201 601328136 /nfs/dbraw/zinc/32/81/36/601328136.db2.gz KJYJJWXLSIXHKK-YHYXMXQVSA-N -2 3 347.392 2.902 20 0 EFADHL CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000316454158 601443441 /nfs/dbraw/zinc/44/34/41/601443441.db2.gz ONFSTEISXXVUNE-SNVBAGLBSA-N -2 3 333.356 2.520 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000833027479 601522218 /nfs/dbraw/zinc/52/22/18/601522218.db2.gz UMMYWZYZBWAYFC-ZETCQYMHSA-N -2 3 345.323 2.604 20 0 EFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000137193565 601612700 /nfs/dbraw/zinc/61/27/00/601612700.db2.gz YPSMTIUSQCUKJR-VIFPVBQESA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])CCC1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)CC1 ZINC000324269845 601821337 /nfs/dbraw/zinc/82/13/37/601821337.db2.gz KIJZUQLYNUASJP-UHFFFAOYSA-N -2 3 328.368 2.657 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)c1 ZINC000751143337 601831344 /nfs/dbraw/zinc/83/13/44/601831344.db2.gz YUDMXMCOYZZHDL-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-]CCCCCCCC(=O)[O-])cc1F ZINC000776551183 601883864 /nfs/dbraw/zinc/88/38/64/601883864.db2.gz IRDSLCDVIYHMRZ-UHFFFAOYSA-N -2 3 349.399 2.977 20 0 EFADHL Cc1[nH]c(C(=O)[C@@H](C)SCc2nc(C)cc(=O)[n-]2)c(C)c1C(=O)[O-] ZINC000832899568 601957919 /nfs/dbraw/zinc/95/79/19/601957919.db2.gz QDFQBPDVLHPWSI-SNVBAGLBSA-N -2 3 349.412 2.638 20 0 EFADHL CC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCCC1 ZINC000323310853 601987916 /nfs/dbraw/zinc/98/79/16/601987916.db2.gz PZZYKHUDUJJIIC-UHFFFAOYSA-N -2 3 347.383 2.912 20 0 EFADHL COc1cccc(-c2nc(C(=O)[N-]c3cc(C(=O)[O-])cs3)no2)c1 ZINC000832515459 604314437 /nfs/dbraw/zinc/31/44/37/604314437.db2.gz OOPWQJJCCONWTF-UHFFFAOYSA-N -2 3 345.336 2.757 20 0 EFADHL O=C([O-])[C@H]1CCCN1C(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000833772442 604702546 /nfs/dbraw/zinc/70/25/46/604702546.db2.gz MVZYIGFPWSFQBF-QGZVFWFLSA-N -2 3 339.391 2.867 20 0 EFADHL C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833570552 604808129 /nfs/dbraw/zinc/80/81/29/604808129.db2.gz HDUZHWJKXWRIIB-QMTHXVAHSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@@]1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCC[C@@H]1C(=O)[O-] ZINC000833569502 604809022 /nfs/dbraw/zinc/80/90/22/604809022.db2.gz LUADGCOYAJTKHH-QMTHXVAHSA-N -2 3 349.811 2.791 20 0 EFADHL CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833605869 605017212 /nfs/dbraw/zinc/01/72/12/605017212.db2.gz LYKXJESGLNOKIQ-OUAUKWLOSA-N -2 3 346.474 2.580 20 0 EFADHL CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833605870 605017322 /nfs/dbraw/zinc/01/73/22/605017322.db2.gz LYKXJESGLNOKIQ-VWYCJHECSA-N -2 3 346.474 2.580 20 0 EFADHL Cc1ccc(-c2nnn[n-]2)cc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000822220203 607201962 /nfs/dbraw/zinc/20/19/62/607201962.db2.gz HXKHSBDTKTYLNW-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cc1ccc(-c2nn[n-]n2)cc1NC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000822220203 607201963 /nfs/dbraw/zinc/20/19/63/607201963.db2.gz HXKHSBDTKTYLNW-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL COc1ccc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c([O-])c1 ZINC000788753876 1276290661 /nfs/dbraw/zinc/29/06/61/1276290661.db2.gz PCDVEAIOQNDTLY-UHFFFAOYSA-N -2 3 333.365 2.576 20 0 EFADHL CC(C)[C@H]([N-]C(=O)C(F)(F)F)C(=O)Nc1c([O-])cccc1Cl ZINC000820509651 1277201241 /nfs/dbraw/zinc/20/12/41/1277201241.db2.gz HWBBAPITBKNWGD-VIFPVBQESA-N -2 3 338.713 2.687 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(Cl)c2)cc1N ZINC001175319352 1287401827 /nfs/dbraw/zinc/40/18/27/1287401827.db2.gz UIMNIUYUSZEPOS-UHFFFAOYSA-N -2 3 340.788 2.730 20 0 EFADHL O=C([O-])Cn1cc([N-]c2nc3cc(Br)ccc3o2)cn1 ZINC001176265664 1287934594 /nfs/dbraw/zinc/93/45/94/1287934594.db2.gz XECMVOQLYTUHRC-UHFFFAOYSA-N -2 3 337.133 2.615 20 0 EFADHL O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc2oc(=S)[n-]c2c1 ZINC000816843573 1288300847 /nfs/dbraw/zinc/30/08/47/1288300847.db2.gz MWUULWMSDIEVPY-UHFFFAOYSA-N -2 3 329.263 2.506 20 0 EFADHL O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc2oc(=S)[n-]c2c1 ZINC000816843573 1288300850 /nfs/dbraw/zinc/30/08/50/1288300850.db2.gz MWUULWMSDIEVPY-UHFFFAOYSA-N -2 3 329.263 2.506 20 0 EFADHL CC1(C[N-]C(=O)C(F)(F)C(F)(F)C(=O)[O-])CCC(F)(F)CC1 ZINC001180176677 1289428811 /nfs/dbraw/zinc/42/88/11/1289428811.db2.gz KNVIFAKZZXGBIY-UHFFFAOYSA-N -2 3 335.244 2.673 20 0 EFADHL O=c1[n-]cnc(Nc2cc([O-])c(F)c(F)c2F)c1Br ZINC001249960366 1289452537 /nfs/dbraw/zinc/45/25/37/1289452537.db2.gz DKFNIAIQSLBDFE-UHFFFAOYSA-N -2 3 336.067 2.811 20 0 EFADHL O=S(=O)([N-]c1nc2c(cccc2[O-])s1)c1cccnc1Cl ZINC001184825839 1290533432 /nfs/dbraw/zinc/53/34/32/1290533432.db2.gz DPFFZEYPOYFZTA-UHFFFAOYSA-N -2 3 341.801 2.851 20 0 EFADHL O=S(=O)(Cc1cccc(F)c1F)[N-]c1cc(Cl)ncc1[O-] ZINC001189425679 1291721346 /nfs/dbraw/zinc/72/13/46/1291721346.db2.gz KCYQQGYFIFEBKD-UHFFFAOYSA-N -2 3 334.731 2.661 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)cc2OC)c1 ZINC000775295964 1291821994 /nfs/dbraw/zinc/82/19/94/1291821994.db2.gz WPPMZFZFWVQDBD-UHFFFAOYSA-N -2 3 343.788 2.864 20 0 EFADHL O=S(=O)([N-][C@H]1[CH]CC=C1)c1cc(Br)ccc1Cl ZINC001189773475 1291852298 /nfs/dbraw/zinc/85/22/98/1291852298.db2.gz KXEBDEMAAFROKI-SECBINFHSA-N -2 3 335.630 2.914 20 0 EFADHL O=S(=O)([N-]c1cncc([O-])c1)c1cc(C(F)(F)F)ccc1F ZINC001190296130 1292113315 /nfs/dbraw/zinc/11/33/15/1292113315.db2.gz MYCPDWZXHGTYAV-UHFFFAOYSA-N -2 3 336.266 2.746 20 0 EFADHL CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ncc([O-])cc1Cl ZINC001191792825 1292664874 /nfs/dbraw/zinc/66/48/74/1292664874.db2.gz NRIBXQAJLDKEFC-UHFFFAOYSA-N -2 3 342.804 2.949 20 0 EFADHL CCc1ccc(OC)c(S(=O)(=O)[N-]c2ncc([O-])cc2Cl)c1 ZINC001192774672 1293032490 /nfs/dbraw/zinc/03/24/90/1293032490.db2.gz VVHCVKQSGJRGKU-UHFFFAOYSA-N -2 3 342.804 2.812 20 0 EFADHL O=S(=O)(Cc1noc2ccccc21)[N-]c1cc([O-])c(F)cc1F ZINC001194091230 1293529065 /nfs/dbraw/zinc/52/90/65/1293529065.db2.gz DIVPQEOBNRZTFT-UHFFFAOYSA-N -2 3 340.307 2.754 20 0 EFADHL Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)Nc1ccc(F)c([O-])c1 ZINC001194271224 1293577061 /nfs/dbraw/zinc/57/70/61/1293577061.db2.gz WNEWRQVZJGHGIZ-UHFFFAOYSA-N -2 3 327.315 2.983 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1c(C)cccc1C ZINC001194643338 1293683210 /nfs/dbraw/zinc/68/32/10/1293683210.db2.gz SWWVYYIIXHLURF-UHFFFAOYSA-N -2 3 335.381 2.596 20 0 EFADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CCCC1 ZINC001195186182 1293828403 /nfs/dbraw/zinc/82/84/03/1293828403.db2.gz GSOBHMWCZKEYKY-UHFFFAOYSA-N -2 3 333.356 2.522 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2CCCC2)c(F)cc1F ZINC001195248957 1293860237 /nfs/dbraw/zinc/86/02/37/1293860237.db2.gz MQJPQUGGRYBNOO-UHFFFAOYSA-N -2 3 333.356 2.522 20 0 EFADHL CC[C@@H](C)C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195255105 1293863915 /nfs/dbraw/zinc/86/39/15/1293863915.db2.gz SSISJNRXKZWLHJ-BDAKNGLRSA-N -2 3 335.372 2.766 20 0 EFADHL CC1(C)CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195259204 1293865498 /nfs/dbraw/zinc/86/54/98/1293865498.db2.gz ZDXGGMMDVMPTEN-GFCCVEGCSA-N -2 3 333.356 2.520 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(CC3CC3)CC2)c(F)cc1F ZINC001195263623 1293866547 /nfs/dbraw/zinc/86/65/47/1293866547.db2.gz BEJPVTLORJQPJI-UHFFFAOYSA-N -2 3 345.367 2.522 20 0 EFADHL COc1ccc(F)c(S(=O)(=O)[N-]c2cc([O-])cc(Cl)c2)c1 ZINC001196762590 1294348915 /nfs/dbraw/zinc/34/89/15/1294348915.db2.gz ASUAZWSESIDDGF-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc([O-])cc(Cl)c1 ZINC001198701807 1295187203 /nfs/dbraw/zinc/18/72/03/1295187203.db2.gz NDFXEBOBTZGFOH-UHFFFAOYSA-N -2 3 349.195 2.903 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cncc(Cl)c1Cl ZINC001198740590 1295214155 /nfs/dbraw/zinc/21/41/55/1295214155.db2.gz KDITWTBFLAOUPO-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL O=S(=O)([N-]c1cncc([O-])c1)c1ccc(Oc2ccncc2)cc1 ZINC001201594792 1296950221 /nfs/dbraw/zinc/95/02/21/1296950221.db2.gz LPQNMYRJBMJMFC-UHFFFAOYSA-N -2 3 343.364 2.775 20 0 EFADHL O=C(NCCCCP(=O)([O-])[O-])Nc1cccc(C(F)(F)F)c1 ZINC001202304922 1297328815 /nfs/dbraw/zinc/32/88/15/1297328815.db2.gz WERXGDPONQWEPI-UHFFFAOYSA-N -2 3 340.238 2.785 20 0 EFADHL O=C([O-])[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)CC1CCCC1 ZINC000776553122 1299465819 /nfs/dbraw/zinc/46/58/19/1299465819.db2.gz RNGOZNYCFNHDHD-NSHDSACASA-N -2 3 347.383 2.524 20 0 EFADHL Cc1nc(C=Cc2ccc(Cl)nc2Cl)[n-]c(=O)c1CC(=O)[O-] ZINC000794712502 1303036922 /nfs/dbraw/zinc/03/69/22/1303036922.db2.gz JCJVFJNOCYRSIX-HYXAFXHYSA-N -2 3 340.166 2.990 20 0 EFADHL COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C2(C(=O)[O-])CC2)cc1 ZINC001222694188 1311174510 /nfs/dbraw/zinc/17/45/10/1311174510.db2.gz FNFWKOSQVUEJOM-UHFFFAOYSA-N -2 3 336.351 2.659 20 0 EFADHL CC(C)Oc1cc(COCCP(=O)([O-])[O-])cc(OC(C)C)c1 ZINC001224601898 1311412769 /nfs/dbraw/zinc/41/27/69/1311412769.db2.gz MOJAKKCTSLQFIJ-UHFFFAOYSA-N -2 3 332.333 2.955 20 0 EFADHL O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1cccc(Br)c1[O-] ZINC001159063736 1311443966 /nfs/dbraw/zinc/44/39/66/1311443966.db2.gz UAVSXJRVCLFLLV-UHFFFAOYSA-N -2 3 348.156 2.989 20 0 EFADHL CCN(CC)C(=O)[C@@H](OCCCCP(=O)([O-])[O-])c1ccccc1 ZINC001225018769 1311464426 /nfs/dbraw/zinc/46/44/26/1311464426.db2.gz HJIKGWJELAZOSR-HNNXBMFYSA-N -2 3 343.360 2.571 20 0 EFADHL COC(=O)c1ccc([C@@H](C)Oc2nc3ncnc-3c([S-])[n-]2)cc1 ZINC001226780421 1311722503 /nfs/dbraw/zinc/72/25/03/1311722503.db2.gz JPWSDDAOTDYXLY-MRVPVSSYSA-N -2 3 330.369 2.568 20 0 EFADHL C[C@H]1CCCC[C@H]1Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227593260 1311826058 /nfs/dbraw/zinc/82/60/58/1311826058.db2.gz DHGFTBFZAQSTCD-NKWVEPMBSA-N -2 3 327.182 2.779 20 0 EFADHL C[C@@H](Cc1ccccc1)Oc1[n-]c(=O)nc2nc(Br)[n-]c21 ZINC001227594651 1311826152 /nfs/dbraw/zinc/82/61/52/1311826152.db2.gz PGYZKNNJOFCBFJ-QMMMGPOBSA-N -2 3 349.188 2.831 20 0 EFADHL C[C@H]1OCC[C@H]1COc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228120846 1311903159 /nfs/dbraw/zinc/90/31/59/1311903159.db2.gz YPZSZXVQSNZGGO-NEPJUHHUSA-N -2 3 344.363 2.838 20 0 EFADHL NC(=O)c1ccc(Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc1[O-] ZINC001215644772 1314863132 /nfs/dbraw/zinc/86/31/32/1314863132.db2.gz XDYTUALWAAPYPO-UHFFFAOYSA-N -2 3 340.257 2.952 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)cc2N)cc(C)c1C(=O)[O-] ZINC001216313441 1314939590 /nfs/dbraw/zinc/93/95/90/1314939590.db2.gz KAUPEMKLWJJEAB-UHFFFAOYSA-N -2 3 338.360 2.524 20 0 EFADHL CCc1cccc(C)c1NC(=S)NCCCCP(=O)([O-])[O-] ZINC001249576082 1315101246 /nfs/dbraw/zinc/10/12/46/1315101246.db2.gz YCILJJQKHWVPBI-UHFFFAOYSA-N -2 3 330.390 2.802 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2F)cc1N ZINC001249962182 1315161038 /nfs/dbraw/zinc/16/10/38/1315161038.db2.gz ICQKEMPBSGCGQI-UHFFFAOYSA-N -2 3 332.303 2.501 20 0 EFADHL COC(=O)c1cccc([O-])c1[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC001253038180 1315559662 /nfs/dbraw/zinc/55/96/62/1315559662.db2.gz MVUIEFOYTZORHF-ZHACJKMWSA-N -2 3 333.365 2.591 20 0 EFADHL COc1cccc(S(=O)(=O)[N-]c2ccc([S-])c(OC)c2)c1 ZINC001259190036 1316217964 /nfs/dbraw/zinc/21/79/64/1316217964.db2.gz RNATWKZQKJNIPK-UHFFFAOYSA-N -2 3 325.411 2.793 20 0 EFADHL CC1CC(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001259213061 1316221381 /nfs/dbraw/zinc/22/13/81/1316221381.db2.gz UGBXFCIERVJHEX-UHFFFAOYSA-N -2 3 335.784 2.502 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2C=CCCC2)c(F)cc1Cl ZINC001259225408 1316221879 /nfs/dbraw/zinc/22/18/79/1316221879.db2.gz OMNAGUAZOQIYPN-QMMMGPOBSA-N -2 3 333.768 2.564 20 0 EFADHL Cc1cc(C)cc(S(=O)(=O)[N-]c2ccc(-n3ccc(=O)[n-]3)cc2)c1 ZINC001259524681 1316256617 /nfs/dbraw/zinc/25/66/17/1316256617.db2.gz DIWXBVMKMCDMAB-UHFFFAOYSA-N -2 3 343.408 2.996 20 0 EFADHL O=c1oc2cc([O-])ccc2cc1[N-]S(=O)(=O)CC1CCCCC1 ZINC001259615143 1316262617 /nfs/dbraw/zinc/26/26/17/1316262617.db2.gz POTNYQVZEZRYRH-UHFFFAOYSA-N -2 3 337.397 2.821 20 0 EFADHL Cc1cccc(CS(=O)(=O)[N-]c2cc3ccc([O-])cc3oc2=O)c1 ZINC001259744044 1316271309 /nfs/dbraw/zinc/27/13/09/1316271309.db2.gz PZAHBTOGWAUWIH-UHFFFAOYSA-N -2 3 345.376 2.749 20 0 EFADHL CC(C)CS(=O)(=O)[N-]c1ccc(C(=O)OC(C)(C)C)cc1[O-] ZINC001259887177 1316292502 /nfs/dbraw/zinc/29/25/02/1316292502.db2.gz PAMQCEHEEALAEQ-UHFFFAOYSA-N -2 3 329.418 2.745 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)c(F)c1F ZINC001260189775 1316321679 /nfs/dbraw/zinc/32/16/79/1316321679.db2.gz FKGSWJACAYVQGJ-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)Nc2cccc([O-])c2Cl)cc1 ZINC001260227570 1316324097 /nfs/dbraw/zinc/32/40/97/1316324097.db2.gz DIPILFMLEFEKNO-UHFFFAOYSA-N -2 3 327.745 2.545 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H](O)CCC3)cc1 ZINC001260228812 1316324720 /nfs/dbraw/zinc/32/47/20/1316324720.db2.gz ZREWTNOCGOSEFZ-MRXNPFEDSA-N -2 3 347.392 2.555 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc(C)c1F ZINC001260400204 1316337318 /nfs/dbraw/zinc/33/73/18/1316337318.db2.gz SOUPFNQJHZBKOU-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc([O-])c1Cl ZINC001260650039 1316354162 /nfs/dbraw/zinc/35/41/62/1316354162.db2.gz RDGCPNYMIPYQBE-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1cc(Cl)cc(Cl)c1[O-])C2 ZINC001363345196 1336885719 /nfs/dbraw/zinc/88/57/19/1336885719.db2.gz FLFDVBRWTHDRCL-UHFFFAOYSA-N -2 3 340.166 2.659 20 0 EFADHL O=C([O-])[C@H]1C[C@H]2C[C@@H](NC(=O)c3cc([O-])cc(C(F)(F)F)c3)[C@H]2C1 ZINC001551450522 1414077712 /nfs/dbraw/zinc/07/77/12/1414077712.db2.gz OCYDZDPNCDUYMB-MPZLTGKNSA-N -2 3 343.301 2.640 20 0 EFADHL O=C([N-]c1ncc(-c2nnn[n-]2)s1)C1(c2ccc(F)cc2)CCC1 ZINC000823380176 1428824083 /nfs/dbraw/zinc/82/40/83/1428824083.db2.gz RTNCYOXZVKCRTD-UHFFFAOYSA-N -2 3 344.375 2.523 20 0 EFADHL CC(C)(C)[C@H](NC(=O)c1cc([O-])c2ccccc2c1)c1nc(=O)o[n-]1 ZINC001557155874 1415109261 /nfs/dbraw/zinc/10/92/61/1415109261.db2.gz IDBJCYJMPAYZPD-CQSZACIVSA-N -2 3 341.367 2.739 20 0 EFADHL CCc1ncsc1[N-]C(=O)N[C@@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825754601 1429224973 /nfs/dbraw/zinc/22/49/73/1429224973.db2.gz FFGDJLOIEPAIEK-VIFPVBQESA-N -2 3 343.416 2.768 20 0 EFADHL CCc1ncsc1[N-]C(=O)N[C@@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825754601 1429224982 /nfs/dbraw/zinc/22/49/82/1429224982.db2.gz FFGDJLOIEPAIEK-VIFPVBQESA-N -2 3 343.416 2.768 20 0 EFADHL CCc1cnc([N-]C(=O)N(C)Cc2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821499597 1423457851 /nfs/dbraw/zinc/45/78/51/1423457851.db2.gz NJPSVUHAVANWOR-UHFFFAOYSA-N -2 3 343.416 2.550 20 0 EFADHL CCc1cnc([N-]C(=O)N(C)Cc2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821499597 1423457854 /nfs/dbraw/zinc/45/78/54/1423457854.db2.gz NJPSVUHAVANWOR-UHFFFAOYSA-N -2 3 343.416 2.550 20 0 EFADHL CC(C)=CC(=O)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000824178542 1424023954 /nfs/dbraw/zinc/02/39/54/1424023954.db2.gz WQWQYIXSTLXGQR-UHFFFAOYSA-N -2 3 326.385 2.895 20 0 EFADHL CC(C)=CC(=O)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000824178542 1424023958 /nfs/dbraw/zinc/02/39/58/1424023958.db2.gz WQWQYIXSTLXGQR-UHFFFAOYSA-N -2 3 326.385 2.895 20 0 EFADHL CCc1ncsc1[N-]C(=O)N[C@H](C)c1ccc(-c2nn[n-]n2)cc1 ZINC000825754600 1424227086 /nfs/dbraw/zinc/22/70/86/1424227086.db2.gz FFGDJLOIEPAIEK-SECBINFHSA-N -2 3 343.416 2.768 20 0 EFADHL CCc1ncsc1[N-]C(=O)N[C@H](C)c1ccc(-c2nnn[n-]2)cc1 ZINC000825754600 1424227095 /nfs/dbraw/zinc/22/70/95/1424227095.db2.gz FFGDJLOIEPAIEK-SECBINFHSA-N -2 3 343.416 2.768 20 0 EFADHL CCc1cnc([N-]C(=O)N[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)s1 ZINC000821499467 1424398487 /nfs/dbraw/zinc/39/84/87/1424398487.db2.gz LDCYADAOHHQEKF-VIFPVBQESA-N -2 3 343.416 2.768 20 0 EFADHL CCc1cnc([N-]C(=O)N[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)s1 ZINC000821499467 1424398493 /nfs/dbraw/zinc/39/84/93/1424398493.db2.gz LDCYADAOHHQEKF-VIFPVBQESA-N -2 3 343.416 2.768 20 0 EFADHL CCc1cc(=O)[n-]c(CS[C@@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821476101 1425186976 /nfs/dbraw/zinc/18/69/76/1425186976.db2.gz HRLDWMBJLLCTAC-JTQLQIEISA-N -2 3 342.428 2.919 20 0 EFADHL CCc1cc(=O)[n-]c(CS[C@@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821476101 1425186982 /nfs/dbraw/zinc/18/69/82/1425186982.db2.gz HRLDWMBJLLCTAC-JTQLQIEISA-N -2 3 342.428 2.919 20 0 EFADHL CCc1csc([N-]C(=O)CSc2ccc(-c3nn[n-]n3)cc2)n1 ZINC000736698812 1425227694 /nfs/dbraw/zinc/22/76/94/1425227694.db2.gz KXSIFTGOJQFIMX-UHFFFAOYSA-N -2 3 346.441 2.616 20 0 EFADHL CCc1csc([N-]C(=O)CSc2ccc(-c3nnn[n-]3)cc2)n1 ZINC000736698812 1425227698 /nfs/dbraw/zinc/22/76/98/1425227698.db2.gz KXSIFTGOJQFIMX-UHFFFAOYSA-N -2 3 346.441 2.616 20 0 EFADHL Cc1cc(-c2nn[n-]n2)ccc1C(=O)[N-]c1nc(C(C)(C)C)ns1 ZINC000826250789 1426567037 /nfs/dbraw/zinc/56/70/37/1426567037.db2.gz SILJUUHZTCUQOK-UHFFFAOYSA-N -2 3 343.416 2.576 20 0 EFADHL CCCc1cc(=O)[n-]c(SCc2ccc(F)c(-c3nn[n-]n3)c2)n1 ZINC000821138682 1427238219 /nfs/dbraw/zinc/23/82/19/1427238219.db2.gz DVFBNUFQARHAHI-UHFFFAOYSA-N -2 3 346.391 2.746 20 0 EFADHL CCCc1cc(=O)[n-]c(SCc2ccc(F)c(-c3nnn[n-]3)c2)n1 ZINC000821138682 1427238224 /nfs/dbraw/zinc/23/82/24/1427238224.db2.gz DVFBNUFQARHAHI-UHFFFAOYSA-N -2 3 346.391 2.746 20 0 EFADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1cc(Cl)ccc1[O-] ZINC000826402528 1427851979 /nfs/dbraw/zinc/85/19/79/1427851979.db2.gz WJBILBVAWQANPI-VMPITWQZSA-N -2 3 341.758 2.878 20 0 EFADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1cc(Cl)ccc1[O-] ZINC000826402528 1427851984 /nfs/dbraw/zinc/85/19/84/1427851984.db2.gz WJBILBVAWQANPI-VMPITWQZSA-N -2 3 341.758 2.878 20 0 EFADHL O=C(CCC1CCCCC1)[N-]OCc1ccccc1-c1nn[n-]n1 ZINC000737823569 1430240847 /nfs/dbraw/zinc/24/08/47/1430240847.db2.gz JNMOUSSAOQLOJW-UHFFFAOYSA-N -2 3 329.404 2.775 20 0 EFADHL CCCc1cc(=O)[n-]c(SCc2cc(F)ccc2-c2nn[n-]n2)n1 ZINC000821139359 1442404196 /nfs/dbraw/zinc/40/41/96/1442404196.db2.gz VJTJQQBZOIZAFH-UHFFFAOYSA-N -2 3 346.391 2.746 20 0 EFADHL CCCc1cc(=O)[n-]c(SCc2cc(F)ccc2-c2nnn[n-]2)n1 ZINC000821139359 1442404199 /nfs/dbraw/zinc/40/41/99/1442404199.db2.gz VJTJQQBZOIZAFH-UHFFFAOYSA-N -2 3 346.391 2.746 20 0 EFADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc([O-])c(Cl)c1 ZINC000737798845 1443191046 /nfs/dbraw/zinc/19/10/46/1443191046.db2.gz HIQDFGRGEIWROL-VMPITWQZSA-N -2 3 341.758 2.878 20 0 EFADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc([O-])c(Cl)c1 ZINC000737798845 1443191048 /nfs/dbraw/zinc/19/10/48/1443191048.db2.gz HIQDFGRGEIWROL-VMPITWQZSA-N -2 3 341.758 2.878 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nn[n-]n3)cc2C)cc1C ZINC000737362086 1443265380 /nfs/dbraw/zinc/26/53/80/1443265380.db2.gz MYBABJDFGWDDIT-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1C ZINC000737362086 1443265385 /nfs/dbraw/zinc/26/53/85/1443265385.db2.gz MYBABJDFGWDDIT-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nn[n-]n3)c2C)c(C)c1 ZINC000822267267 1443612474 /nfs/dbraw/zinc/61/24/74/1443612474.db2.gz QHWSBJRIAWILBL-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnn[n-]3)c2C)c(C)c1 ZINC000822267267 1443612477 /nfs/dbraw/zinc/61/24/77/1443612477.db2.gz QHWSBJRIAWILBL-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL O=C(CCC1CCCCC1)[N-]OCc1ccc(F)cc1-c1nn[n-]n1 ZINC000737822004 1443686967 /nfs/dbraw/zinc/68/69/67/1443686967.db2.gz AIQPOPKSNFKERI-UHFFFAOYSA-N -2 3 347.394 2.914 20 0 EFADHL O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cccc(Cl)c1[O-] ZINC000826466669 1443953560 /nfs/dbraw/zinc/95/35/60/1443953560.db2.gz OGFIGWWBXVHHMM-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cccc(Cl)c1[O-] ZINC000826466669 1443953562 /nfs/dbraw/zinc/95/35/62/1443953562.db2.gz OGFIGWWBXVHHMM-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc([O-])c(Cl)c1 ZINC000737798846 1444014901 /nfs/dbraw/zinc/01/49/01/1444014901.db2.gz HIQDFGRGEIWROL-YVMONPNESA-N -2 3 341.758 2.878 20 0 EFADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc([O-])c(Cl)c1 ZINC000737798846 1444014904 /nfs/dbraw/zinc/01/49/04/1444014904.db2.gz HIQDFGRGEIWROL-YVMONPNESA-N -2 3 341.758 2.878 20 0 EFADHL CC(=O)[N-]c1nc(CSc2ccccc2-c2nn[n-]n2)cs1 ZINC000819828123 1446453934 /nfs/dbraw/zinc/45/39/34/1446453934.db2.gz ZNFNDGPCPOWBGQ-UHFFFAOYSA-N -2 3 332.414 2.574 20 0 EFADHL CC(=O)[N-]c1nc(CSc2ccccc2-c2nnn[n-]2)cs1 ZINC000819828123 1446453935 /nfs/dbraw/zinc/45/39/35/1446453935.db2.gz ZNFNDGPCPOWBGQ-UHFFFAOYSA-N -2 3 332.414 2.574 20 0 EFADHL C[C@H](C(=O)[N-]c1nc(-c2ccc(-c3nn[n-]n3)cc2)cs1)C1CC1 ZINC000819877686 1446589701 /nfs/dbraw/zinc/58/97/01/1446589701.db2.gz ZVWHNJTYRUJMSQ-VIFPVBQESA-N -2 3 340.412 2.975 20 0 EFADHL C[C@H](C(=O)[N-]c1nc(-c2ccc(-c3nnn[n-]3)cc2)cs1)C1CC1 ZINC000819877686 1446589704 /nfs/dbraw/zinc/58/97/04/1446589704.db2.gz ZVWHNJTYRUJMSQ-VIFPVBQESA-N -2 3 340.412 2.975 20 0 EFADHL O=C(Cc1ccc2ccccc2c1)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000823087068 1449961452 /nfs/dbraw/zinc/96/14/52/1449961452.db2.gz FFRVJZMFPLQTCR-UHFFFAOYSA-N -2 3 336.380 2.658 20 0 EFADHL O=C(Cc1ccc2ccccc2c1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000823087068 1449961454 /nfs/dbraw/zinc/96/14/54/1449961454.db2.gz FFRVJZMFPLQTCR-UHFFFAOYSA-N -2 3 336.380 2.658 20 0 EFADHL O=C([N-]NC(=O)c1cc(Cl)ccc1[O-])c1c(F)ccc(F)c1F ZINC000161553912 716014854 /nfs/dbraw/zinc/01/48/54/716014854.db2.gz IEVYIDXZZABHAF-UHFFFAOYSA-N -2 3 344.676 2.538 20 0 EFADHL Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc12 ZINC000093909579 716867441 /nfs/dbraw/zinc/86/74/41/716867441.db2.gz AQRXXXPVJLMCLT-UHFFFAOYSA-N -2 3 349.343 2.509 20 0 EFADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000163485529 718381243 /nfs/dbraw/zinc/38/12/43/718381243.db2.gz SXWFQRGWJBWWEU-UHFFFAOYSA-N -2 3 343.730 2.948 20 0 EFADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)CCCc1ccc([O-])c(F)c1 ZINC000909676089 726070362 /nfs/dbraw/zinc/07/03/62/726070362.db2.gz ILOMKXVQVLNMHC-IGCXYCKISA-N -2 3 335.375 2.566 20 0 EFADHL CC[C@@H](CC(F)(F)F)[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1F ZINC000906931814 726825156 /nfs/dbraw/zinc/82/51/56/726825156.db2.gz OKLCMABFYYTUBB-ZETCQYMHSA-N -2 3 343.298 2.533 20 0 EFADHL O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)CC2 ZINC000908651121 727235323 /nfs/dbraw/zinc/23/53/23/727235323.db2.gz BKLTYDPZHOCKNA-LBPRGKRZSA-N -2 3 343.301 2.738 20 0 EFADHL O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc([O-])c2ccccc2c1 ZINC000908988621 727302712 /nfs/dbraw/zinc/30/27/12/727302712.db2.gz KPSNVEYQAADGCX-HNNXBMFYSA-N -2 3 343.379 2.641 20 0 EFADHL CC(C)C[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909291728 727356415 /nfs/dbraw/zinc/35/64/15/727356415.db2.gz KVPPEIUYFWMQRZ-CYBMUJFWSA-N -2 3 325.380 2.717 20 0 EFADHL O=C([O-])[C@H]1CC[C@@H](c2ccccc2)N1C(=O)Cc1ccc([O-])c(F)c1 ZINC000910104016 727412603 /nfs/dbraw/zinc/41/26/03/727412603.db2.gz UTXCTGCOTFLOEJ-JKSUJKDBSA-N -2 3 343.354 2.891 20 0 EFADHL O=C([O-])[C@]12CCC[C@H]1CN(C(=O)CCCc1ccc([O-])c(F)c1)C2 ZINC000910418826 727439599 /nfs/dbraw/zinc/43/95/99/727439599.db2.gz QXAFTEOZOWRLMY-UGSOOPFHSA-N -2 3 335.375 2.567 20 0 EFADHL O=C([O-])Cc1cnc(NC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000910675740 727457991 /nfs/dbraw/zinc/45/79/91/727457991.db2.gz VSXPADCZUHIIRV-UHFFFAOYSA-N -2 3 338.360 2.576 20 0 EFADHL O=C([O-])C12CC(C(=O)[N-]OCc3ccc(C(F)(F)F)cc3)(C1)C2 ZINC000911807703 727602133 /nfs/dbraw/zinc/60/21/33/727602133.db2.gz XJKNAVBFGGDOEH-UHFFFAOYSA-N -2 3 329.274 2.508 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1Cl ZINC000225607294 728174356 /nfs/dbraw/zinc/17/43/56/728174356.db2.gz BSINMZCXXSCGMU-UHFFFAOYSA-N -2 3 327.745 2.545 20 0 EFADHL O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc([O-])ccc1Cl ZINC000323256196 970981670 /nfs/dbraw/zinc/98/16/70/970981670.db2.gz DSFWSYSINRGQRP-OAHLLOKOSA-N -2 3 331.755 2.697 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)c(C)c1 ZINC000324769230 971155061 /nfs/dbraw/zinc/15/50/61/971155061.db2.gz BZHNUBPOTRPFIT-UHFFFAOYSA-N -2 3 349.408 2.958 20 0 EFADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000325114466 971186877 /nfs/dbraw/zinc/18/68/77/971186877.db2.gz KSEVDEKTHBQVCB-UHFFFAOYSA-N -2 3 349.408 2.958 20 0 EFADHL Cc1nc2cc([N-]S(=O)(=O)c3ccc(C(=O)[O-])cc3C)ccc2[nH]1 ZINC000326624618 971310451 /nfs/dbraw/zinc/31/04/51/971310451.db2.gz OBQDIGDHXBNUPJ-UHFFFAOYSA-N -2 3 345.380 2.679 20 0 EFADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC001573729709 948571491 /nfs/dbraw/zinc/57/14/91/948571491.db2.gz JHPBEDYWIUOLDR-JTQLQIEISA-N -2 3 343.774 2.734 20 0 EFADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)cc1 ZINC001573729709 948571496 /nfs/dbraw/zinc/57/14/96/948571496.db2.gz JHPBEDYWIUOLDR-JTQLQIEISA-N -2 3 343.774 2.734 20 0 EFADHL CC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC001589592883 949109366 /nfs/dbraw/zinc/10/93/66/949109366.db2.gz UMWSXFBVCCTASI-GOSISDBHSA-N -2 3 337.391 2.957 20 0 EFADHL CC[C@H](C(=O)[O-])N1C[C@@H](CC[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC001589445555 954755348 /nfs/dbraw/zinc/75/53/48/954755348.db2.gz SPCJKMHOBMDKPJ-ZYHUDNBSSA-N -2 3 344.333 2.522 20 0 EFADHL Cc1onc(OC(F)F)c1[N-]C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC001594510099 955377595 /nfs/dbraw/zinc/37/75/95/955377595.db2.gz BAOILABVKIUGAW-IHWYPQMZSA-N -2 3 328.227 2.528 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1Cl ZINC000013345458 957031416 /nfs/dbraw/zinc/03/14/16/957031416.db2.gz BUMDVQSUXWACLD-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL CCC[C@@](C)([N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000036340088 957232213 /nfs/dbraw/zinc/23/22/13/957232213.db2.gz CRQKXHUXOGPERO-GFCCVEGCSA-N -2 3 340.228 2.915 20 0 EFADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000036340024 957232347 /nfs/dbraw/zinc/23/23/47/957232347.db2.gz ICYXCXHBCSLBJB-LBPRGKRZSA-N -2 3 340.228 2.915 20 0 EFADHL CC[C@@H](C)[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000049094294 957473613 /nfs/dbraw/zinc/47/36/13/957473613.db2.gz WVGCPLYPAYBOIA-HTQZYQBOSA-N -2 3 337.800 2.890 20 0 EFADHL CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000390314613 972274647 /nfs/dbraw/zinc/27/46/47/972274647.db2.gz OLSXBPNHDSIQPR-UHFFFAOYSA-N -2 3 335.381 2.762 20 0 EFADHL CON(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@@H](C)C(=O)[O-] ZINC001594038208 957835079 /nfs/dbraw/zinc/83/50/79/957835079.db2.gz UPXKLCNOBONEAS-NSHDSACASA-N -2 3 331.324 2.661 20 0 EFADHL CC(C)C(C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C(C)C ZINC000391001714 972311817 /nfs/dbraw/zinc/31/18/17/972311817.db2.gz UWERTRVYPWYRFM-UHFFFAOYSA-N -2 3 349.399 2.870 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CCC(C)(C)C)C(=O)[O-])cc1F ZINC001594311060 958021331 /nfs/dbraw/zinc/02/13/31/958021331.db2.gz WRWIAYNFUKHCMK-LBPRGKRZSA-N -2 3 349.399 2.831 20 0 EFADHL CC[C@@](C)([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000094220826 958267763 /nfs/dbraw/zinc/26/77/63/958267763.db2.gz LVXWPCKYIWSXMA-LLVKDONJSA-N -2 3 326.201 2.525 20 0 EFADHL O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cc([O-])ccc1Cl ZINC000391610426 972350313 /nfs/dbraw/zinc/35/03/13/972350313.db2.gz WTSREKKMSNGQJE-HNNXBMFYSA-N -2 3 331.755 2.870 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CCC1 ZINC000137666207 958937274 /nfs/dbraw/zinc/93/72/74/958937274.db2.gz LWMXSEAUNLRJJP-ZETCQYMHSA-N -2 3 335.784 2.644 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001594193216 959175703 /nfs/dbraw/zinc/17/57/03/959175703.db2.gz OJJYKUKSPMXWIY-KRWDZBQOSA-N -2 3 331.393 2.844 20 0 EFADHL C[C@@H](C(=O)[O-])N(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC001588597533 959394289 /nfs/dbraw/zinc/39/42/89/959394289.db2.gz SFXKHHZJXRMWNY-VIFPVBQESA-N -2 3 327.340 2.519 20 0 EFADHL Cc1cnccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000218583715 959788826 /nfs/dbraw/zinc/78/88/26/959788826.db2.gz PSIGFBCBKCKIEJ-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2CCCC2)c(F)cc1Cl ZINC001259213107 960667977 /nfs/dbraw/zinc/66/79/77/960667977.db2.gz VJJITXKVEHGMJV-UHFFFAOYSA-N -2 3 335.784 2.646 20 0 EFADHL CC1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CCC1 ZINC001259222107 960684944 /nfs/dbraw/zinc/68/49/44/960684944.db2.gz HYLMFTGQFMUPKF-UHFFFAOYSA-N -2 3 335.784 2.646 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CC3(CCC3)C2)c(F)cc1Cl ZINC001259225354 960693877 /nfs/dbraw/zinc/69/38/77/960693877.db2.gz MFYMGQGBQUZZGO-UHFFFAOYSA-N -2 3 347.795 2.788 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cncc(Cl)c2Cl)c1 ZINC001260183934 960695488 /nfs/dbraw/zinc/69/54/88/960695488.db2.gz JNOIJGXMTRYWCR-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H](CCC(C)(C)C)C(=O)[O-])c(F)c1F ZINC001574382141 961110814 /nfs/dbraw/zinc/11/08/14/961110814.db2.gz FIOYOBJSAAVLLV-SNVBAGLBSA-N -2 3 349.399 2.831 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCC[C@H](C(C)C)C2)oc1C(=O)[O-] ZINC001571187670 962226820 /nfs/dbraw/zinc/22/68/20/962226820.db2.gz LEMOYDPQKFUMJB-RYUDHWBXSA-N -2 3 329.418 2.779 20 0 EFADHL O=C([O-])[C@@H](CCF)NC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001571207732 962417290 /nfs/dbraw/zinc/41/72/90/962417290.db2.gz BUHZXDHATXXDLW-CQSZACIVSA-N -2 3 333.315 2.727 20 0 EFADHL COc1cccc([C@H](NC(=O)c2cc([O-])ccc2Cl)C(=O)[O-])c1 ZINC001571229119 962613593 /nfs/dbraw/zinc/61/35/93/962613593.db2.gz VPIQKLYGORIORF-AWEZNQCLSA-N -2 3 335.743 2.610 20 0 EFADHL CC(C)(C)[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000316966959 964081656 /nfs/dbraw/zinc/08/16/56/964081656.db2.gz ZFUPGWGNXFBZMS-NXEZZACHSA-N -2 3 346.474 2.725 20 0 EFADHL O=C(N[C@H]1C[C@H](C(=O)[O-])C1)c1cc(CCc2ccccc2)ccc1[O-] ZINC001605839610 972576068 /nfs/dbraw/zinc/57/60/68/972576068.db2.gz ZOUMKDIAZFXZBE-WKILWMFISA-N -2 3 339.391 2.770 20 0 EFADHL O=C([O-])c1ccc(Cl)c(S(=O)(=O)[N-][C@@H]2CCCC2(F)F)c1 ZINC000398199092 973080638 /nfs/dbraw/zinc/08/06/38/973080638.db2.gz OYORWAFBGQUBKW-SNVBAGLBSA-N -2 3 339.747 2.504 20 0 EFADHL O=C([O-])[C@@H]1C[C@@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001605709184 974138266 /nfs/dbraw/zinc/13/82/66/974138266.db2.gz GOEXHXVBNIZEAE-UKRRQHHQSA-N -2 3 329.327 2.503 20 0 EFADHL CC(C)c1ccc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)c([O-])c1 ZINC001591942715 976472737 /nfs/dbraw/zinc/47/27/37/976472737.db2.gz ZRJHSPMTCMDHGO-UHFFFAOYSA-N -2 3 332.356 2.867 20 0 EFADHL CCC[C@@](C)(NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700707097 976963761 /nfs/dbraw/zinc/96/37/61/976963761.db2.gz UBTNFQOMPNFPCV-CYBMUJFWSA-N -2 3 330.178 2.528 20 0 EFADHL O=C([O-])[C@@H]1CCCC[C@@H]1NC(=O)c1cc([O-])cc(Br)c1 ZINC000700688249 976963872 /nfs/dbraw/zinc/96/38/72/976963872.db2.gz HQFOARIRDSFJKK-NEPJUHHUSA-N -2 3 342.189 2.528 20 0 EFADHL CSc1ccsc1C(=O)[N-]c1nnc(CCC(=O)[O-])s1 ZINC000738208718 978500784 /nfs/dbraw/zinc/50/07/84/978500784.db2.gz KCTORISNKGKYCZ-UHFFFAOYSA-N -2 3 329.428 2.591 20 0 EFADHL CC[C@]([N-]C(=O)C(F)(F)c1nccs1)(C(=O)[O-])c1ccccc1 ZINC001595232919 980128179 /nfs/dbraw/zinc/12/81/79/980128179.db2.gz NEBMNRCVFJUYBO-CQSZACIVSA-N -2 3 340.351 2.741 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@@H]1CC1(C)C ZINC001595313656 980478593 /nfs/dbraw/zinc/47/85/93/980478593.db2.gz VGHFFVWKPPUROZ-WCBMZHEXSA-N -2 3 347.383 2.766 20 0 EFADHL O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000909678297 981567588 /nfs/dbraw/zinc/56/75/88/981567588.db2.gz JLKWISBTOPSFLG-NUTKFTJISA-N -2 3 325.364 2.871 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C1CCCCC1 ZINC001595604480 981588981 /nfs/dbraw/zinc/58/89/81/981588981.db2.gz JCSMLBWJXFOTNT-NSHDSACASA-N -2 3 346.474 2.869 20 0 EFADHL CC[C@@H](C(=O)[O-])C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC001594766640 981723796 /nfs/dbraw/zinc/72/37/96/981723796.db2.gz YYNQDOIXVSLBGH-APPZFPTMSA-N -2 3 338.385 2.729 20 0 EFADHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(F)(F)F ZINC001594921558 982470045 /nfs/dbraw/zinc/47/00/45/982470045.db2.gz RFTUCZKGJAZFPU-MUWHJKNJSA-N -2 3 345.364 2.702 20 0 EFADHL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)[O-])C(F)(F)F ZINC001594921557 982470151 /nfs/dbraw/zinc/47/01/51/982470151.db2.gz RFTUCZKGJAZFPU-IMTBSYHQSA-N -2 3 345.364 2.702 20 0 EFADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1cc([O-])cc(C(F)(F)F)c1 ZINC000923154730 982769767 /nfs/dbraw/zinc/76/97/67/982769767.db2.gz DYSJEZGCSZAPTR-RKDXNWHRSA-N -2 3 331.290 2.736 20 0 EFADHL CCC[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001596008613 983267644 /nfs/dbraw/zinc/26/76/44/983267644.db2.gz UMRKZQQYECCOGB-RDDDGLTNSA-N -2 3 335.784 2.644 20 0 EFADHL CCN(C(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1C(=O)[O-] ZINC001596161036 983524415 /nfs/dbraw/zinc/52/44/15/983524415.db2.gz NGPXLUDJGOUCBM-UHFFFAOYSA-N -2 3 336.347 2.893 20 0 EFADHL C=C/C=C\CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001588721673 983972925 /nfs/dbraw/zinc/97/29/25/983972925.db2.gz RMVRIRVTZSRUDR-ARJAWSKDSA-N -2 3 333.768 2.588 20 0 EFADHL C[C@H]1CC[C@@]([N-]S(=O)(=O)c2cccc(Cl)c2F)(C(=O)[O-])CC1 ZINC001599909229 984963599 /nfs/dbraw/zinc/96/35/99/984963599.db2.gz KLNMUVANNLUPLY-KMHCFJFGSA-N -2 3 349.811 2.791 20 0 EFADHL CCOc1cc(C(=O)[O-])ccc1NC(=O)Cc1ccc([O-])c(F)c1 ZINC001597016275 986377494 /nfs/dbraw/zinc/37/74/94/986377494.db2.gz UNJGTEXAXIGVEA-UHFFFAOYSA-N -2 3 333.315 2.809 20 0 EFADHL CCc1c([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])cnn1C(CC)CC ZINC001597419865 987728075 /nfs/dbraw/zinc/72/80/75/987728075.db2.gz OLLALBYJRHMALR-UHFFFAOYSA-N -2 3 345.465 2.659 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c1 ZINC001597556545 988290128 /nfs/dbraw/zinc/29/01/28/988290128.db2.gz QKSPSOKDYNTHPL-UHFFFAOYSA-N -2 3 329.352 2.979 20 0 EFADHL CCc1cccc(C(=O)N2C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C2)c1[O-] ZINC001597570532 988346981 /nfs/dbraw/zinc/34/69/81/988346981.db2.gz NTWAYTKEUHBRAB-WDEREUQCSA-N -2 3 345.317 2.680 20 0 EFADHL COc1cccc2c(C(=O)O[C@@H](C(=O)[O-])c3ccccc3F)n[n-]c21 ZINC001599689428 991042611 /nfs/dbraw/zinc/04/26/11/991042611.db2.gz LFJPFGLUJIXEIN-OAHLLOKOSA-N -2 3 344.298 2.693 20 0 EFADHL CC(C)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001590996436 991230626 /nfs/dbraw/zinc/23/06/26/991230626.db2.gz OAIGKQCHCNCMHX-AWEZNQCLSA-N -2 3 337.397 2.523 20 0 EFADHL CC(C)C1CCC(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001591081501 991593312 /nfs/dbraw/zinc/59/33/12/991593312.db2.gz IBUPMNDHAPDQJG-UHFFFAOYSA-N -2 3 346.474 2.582 20 0 EFADHL CC(C)CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001591227676 992099079 /nfs/dbraw/zinc/09/90/79/992099079.db2.gz JPKWNNUMZBQGML-WDEREUQCSA-N -2 3 346.474 2.725 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)c1 ZINC001599598698 993784019 /nfs/dbraw/zinc/78/40/19/993784019.db2.gz UUXWQJZTGBKOKV-UHFFFAOYSA-N -2 3 326.308 2.833 20 0 EFADHL COc1cccc(C(=O)Nc2ccc([C@@H]3C[C@H]3C(=O)[O-])cc2)c1[O-] ZINC001599642760 994381912 /nfs/dbraw/zinc/38/19/12/994381912.db2.gz QOQLHYQFHJBRHM-UONOGXRCSA-N -2 3 327.336 2.841 20 0 EFADHL COc1cccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)c1[O-] ZINC001599642843 994383188 /nfs/dbraw/zinc/38/31/88/994383188.db2.gz XMJNBEGHINAGQX-UHFFFAOYSA-N -2 3 331.324 2.507 20 0 EFADHL CC1(C)C[C@@]1(C)C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001593864831 996669610 /nfs/dbraw/zinc/66/96/10/996669610.db2.gz JBHFYNIKVCIDPS-AWEZNQCLSA-N -2 3 349.811 2.892 20 0 EFADHL COC(=O)Nc1ccc(C(=O)OCc2ccccc2C(=O)[O-])cc1[O-] ZINC001598887197 996921170 /nfs/dbraw/zinc/92/11/70/996921170.db2.gz OWVSNGHURNGGME-UHFFFAOYSA-N -2 3 345.307 2.626 20 0 EFADHL COc1ccc(C=CC(=O)[O-])cc1OCc1cc(=O)[n-]c(C2CC2)n1 ZINC001599546920 997938499 /nfs/dbraw/zinc/93/84/99/997938499.db2.gz PUVPOEONYKSXOZ-CLTKARDFSA-N -2 3 342.351 2.745 20 0 EFADHL COc1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)ccc1C(=O)[O-] ZINC001599459029 998239041 /nfs/dbraw/zinc/23/90/41/998239041.db2.gz DDQXIURDZRXMGI-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL C[C@H]1[C@H](C(=O)[O-])CCN1C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001594160147 998596090 /nfs/dbraw/zinc/59/60/90/998596090.db2.gz YFLJZCCHDCYMLK-XJKSGUPXSA-N -2 3 339.391 2.918 20 0 EFADHL CC(=Cc1cc(C)c(O)c(C)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588768057 1092986522 /nfs/dbraw/zinc/98/65/22/1092986522.db2.gz KKKKOUYPMZGAPK-JXMROGBWSA-N -2 3 338.371 2.554 20 0 EFADHL CC(=Cc1cc(C)c(O)c(C)c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588768057 1092986530 /nfs/dbraw/zinc/98/65/30/1092986530.db2.gz KKKKOUYPMZGAPK-JXMROGBWSA-N -2 3 338.371 2.554 20 0 EFADHL CC(C)(C)n1cc(-c2ccc(-c3nnn[n-]3)c(Cl)c2)c(C(=O)[O-])n1 ZINC001589249067 1093057162 /nfs/dbraw/zinc/05/71/62/1093057162.db2.gz HPNZAMBSSIKKOD-UHFFFAOYSA-N -2 3 346.778 2.837 20 0 EFADHL CC(C)(C)n1cc(-c2ccc(-c3nn[n-]n3)c(Cl)c2)c(C(=O)[O-])n1 ZINC001589249067 1093057168 /nfs/dbraw/zinc/05/71/68/1093057168.db2.gz HPNZAMBSSIKKOD-UHFFFAOYSA-N -2 3 346.778 2.837 20 0 EFADHL CC(C)C[C@@H](CNc1ccc2cc(-c3nnn[n-]3)ccc2n1)C(=O)[O-] ZINC001589556253 1093105764 /nfs/dbraw/zinc/10/57/64/1093105764.db2.gz NPJMUSZLYBDANO-ZDUSSCGKSA-N -2 3 340.387 2.574 20 0 EFADHL CC(C)C[C@@H](CNc1ccc2cc(-c3nn[n-]n3)ccc2n1)C(=O)[O-] ZINC001589556253 1093105769 /nfs/dbraw/zinc/10/57/69/1093105769.db2.gz NPJMUSZLYBDANO-ZDUSSCGKSA-N -2 3 340.387 2.574 20 0 EFADHL C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC001590013881 1093222468 /nfs/dbraw/zinc/22/24/68/1093222468.db2.gz UKLYDLUXMYCGLZ-QMMMGPOBSA-N -2 3 346.293 2.769 20 0 EFADHL C[C@H](OC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC001590013881 1093222475 /nfs/dbraw/zinc/22/24/75/1093222475.db2.gz UKLYDLUXMYCGLZ-QMMMGPOBSA-N -2 3 346.293 2.769 20 0 EFADHL C[C@@H]1N(C(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c2ccccc2C1(C)C ZINC001590330613 1093379568 /nfs/dbraw/zinc/37/95/68/1093379568.db2.gz FBHCNLCGLOANGQ-NSHDSACASA-N -2 3 349.394 2.899 20 0 EFADHL CCCc1nc(C)c(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)s1 ZINC001590660641 1093532985 /nfs/dbraw/zinc/53/29/85/1093532985.db2.gz UABHMXDLQPVPLE-UHFFFAOYSA-N -2 3 344.400 2.542 20 0 EFADHL CCOc1ccc(C=Cc2nc(C(=O)[O-])ccc2-c2nnn[n-]2)cc1 ZINC001590836956 1093589688 /nfs/dbraw/zinc/58/96/88/1093589688.db2.gz HWEQZGOGIXSVST-UITAMQMPSA-N -2 3 337.339 2.529 20 0 EFADHL CCOc1ccc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[n-]n2)cc1 ZINC001590836956 1093589693 /nfs/dbraw/zinc/58/96/93/1093589693.db2.gz HWEQZGOGIXSVST-UITAMQMPSA-N -2 3 337.339 2.529 20 0 EFADHL CCOc1ccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)cc1 ZINC001590836685 1093590395 /nfs/dbraw/zinc/59/03/95/1093590395.db2.gz DVDFIXHZFWSYKE-KTKRTIGZSA-N -2 3 338.371 2.630 20 0 EFADHL CCOc1ccc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)cc1 ZINC001590836685 1093590400 /nfs/dbraw/zinc/59/04/00/1093590400.db2.gz DVDFIXHZFWSYKE-KTKRTIGZSA-N -2 3 338.371 2.630 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC001591950808 1093929992 /nfs/dbraw/zinc/92/99/92/1093929992.db2.gz QXBXVMYENVVNFB-UHFFFAOYSA-N -2 3 349.441 2.654 20 0 EFADHL Cc1cc(F)ccc1C=Cc1nc(C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001591992731 1093950704 /nfs/dbraw/zinc/95/07/04/1093950704.db2.gz VAZCMOUZSVJTOA-ZZXKWVIFSA-N -2 3 325.303 2.578 20 0 EFADHL Cc1cc(F)ccc1C=Cc1nc(C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001591992731 1093950705 /nfs/dbraw/zinc/95/07/05/1093950705.db2.gz VAZCMOUZSVJTOA-ZZXKWVIFSA-N -2 3 325.303 2.578 20 0 EFADHL Cc1ccc(-c2nn[n-]n2)cc1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC001592100769 1093980327 /nfs/dbraw/zinc/98/03/27/1093980327.db2.gz WJIMRHLJDUHNNE-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL O=C(C=Cc1ccccc1-c1nnn[n-]1)Nc1ccc(F)c(F)c1[O-] ZINC001592797711 1094188992 /nfs/dbraw/zinc/18/89/92/1094188992.db2.gz KPNNLPPCFAGBEF-VMPITWQZSA-N -2 3 343.293 2.502 20 0 EFADHL O=C(C=Cc1ccccc1-c1nn[n-]n1)Nc1ccc(F)c(F)c1[O-] ZINC001592797711 1094188993 /nfs/dbraw/zinc/18/89/93/1094188993.db2.gz KPNNLPPCFAGBEF-VMPITWQZSA-N -2 3 343.293 2.502 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(-c2nnn[n-]2)cs1 ZINC001593209111 1094240498 /nfs/dbraw/zinc/24/04/98/1094240498.db2.gz AXCNCEOKOJGXKA-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cc(-c2nn[n-]n2)cs1 ZINC001593209111 1094240503 /nfs/dbraw/zinc/24/05/03/1094240503.db2.gz AXCNCEOKOJGXKA-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1ccc(C2CC2)cc1F)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593225906 1094245592 /nfs/dbraw/zinc/24/55/92/1094245592.db2.gz AGXJDIMGOMIUAX-UHFFFAOYSA-N -2 3 339.330 2.841 20 0 EFADHL O=C([O-])CC1(Nc2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CCC1 ZINC001593276168 1094261999 /nfs/dbraw/zinc/26/19/99/1094261999.db2.gz HJCGJIGXXGEPQX-UHFFFAOYSA-N -2 3 341.293 2.695 20 0 EFADHL O=C([O-])CC1(Nc2ccc(-c3nn[n-]n3)c(C(F)(F)F)c2)CCC1 ZINC001593276168 1094262002 /nfs/dbraw/zinc/26/20/02/1094262002.db2.gz HJCGJIGXXGEPQX-UHFFFAOYSA-N -2 3 341.293 2.695 20 0 EFADHL O=C([O-])CCCCNc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001593278026 1094262537 /nfs/dbraw/zinc/26/25/37/1094262537.db2.gz NNYYWJQWHQWRBM-UHFFFAOYSA-N -2 3 329.282 2.552 20 0 EFADHL O=C([O-])CCCCNc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001593278026 1094262541 /nfs/dbraw/zinc/26/25/41/1094262541.db2.gz NNYYWJQWHQWRBM-UHFFFAOYSA-N -2 3 329.282 2.552 20 0 EFADHL O=C([O-])c1ccc2oc(C=Cc3cccc(-c4nnn[n-]4)c3)nc2c1 ZINC001593282693 1094264755 /nfs/dbraw/zinc/26/47/55/1094264755.db2.gz BOZPCDVJRAUFOJ-DAXSKMNVSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc2oc(C=Cc3cccc(-c4nn[n-]n4)c3)nc2c1 ZINC001593282693 1094264760 /nfs/dbraw/zinc/26/47/60/1094264760.db2.gz BOZPCDVJRAUFOJ-DAXSKMNVSA-N -2 3 333.307 2.877 20 0 EFADHL Cc1c(NC(=O)c2[n-]cnc2C(F)(F)F)ccc(F)c1C(=O)[O-] ZINC001600048976 1094741912 /nfs/dbraw/zinc/74/19/12/1094741912.db2.gz HHXHZLWRHLJDAI-UHFFFAOYSA-N -2 3 331.225 2.827 20 0 EFADHL Cc1c(NC(=O)c2nc[n-]c2C(F)(F)F)ccc(F)c1C(=O)[O-] ZINC001600048976 1094741920 /nfs/dbraw/zinc/74/19/20/1094741920.db2.gz HHXHZLWRHLJDAI-UHFFFAOYSA-N -2 3 331.225 2.827 20 0 EFADHL Cc1cc(C[N-]S(=O)(=O)c2cc(F)ccc2Cl)oc1C(=O)[O-] ZINC001600210053 1094888375 /nfs/dbraw/zinc/88/83/75/1094888375.db2.gz CGFXLQPTXNRGOD-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)n1 ZINC001600285705 1094945658 /nfs/dbraw/zinc/94/56/58/1094945658.db2.gz CPRVKVGMBIFGSA-GHMZBOCLSA-N -2 3 348.428 2.586 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2cccc(F)c2F)oc1C(=O)[O-] ZINC001600296453 1094953066 /nfs/dbraw/zinc/95/30/66/1094953066.db2.gz BVJNZYKFJDFWQC-QMMMGPOBSA-N -2 3 345.323 2.604 20 0 EFADHL Cc1ccc(-c2cc(C(=O)Oc3ccc(CC(=O)[O-])cc3)n[n-]2)o1 ZINC001600313175 1094963571 /nfs/dbraw/zinc/96/35/71/1094963571.db2.gz QWESXYSPXKLITE-UHFFFAOYSA-N -2 3 326.308 2.824 20 0 EFADHL Cc1ccc(C(=O)[O-])c(O)c1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001600346473 1094989189 /nfs/dbraw/zinc/98/91/89/1094989189.db2.gz XXBPPFKYYXHUCI-UONOGXRCSA-N -2 3 347.392 2.697 20 0 EFADHL Cc1ccc(C(F)(F)C(=O)[N-][C@@H](CC(F)(F)F)C(=O)[O-])cc1 ZINC001600379253 1095018376 /nfs/dbraw/zinc/01/83/76/1095018376.db2.gz XCUXDHFCPGEKQQ-VIFPVBQESA-N -2 3 325.233 2.609 20 0 EFADHL Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2occc2C(=O)[O-])c(C)c1 ZINC001600402681 1095037819 /nfs/dbraw/zinc/03/78/19/1095037819.db2.gz RINBSXKCZZSGEI-GFCCVEGCSA-N -2 3 337.397 2.504 20 0 EFADHL Cc1ccc([O-])c(NC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])n1 ZINC001600467525 1095089466 /nfs/dbraw/zinc/08/94/66/1095089466.db2.gz YMWBWIRFQHLASH-JTQLQIEISA-N -2 3 332.381 2.913 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cccc(F)c2F)c(C(=O)[O-])c1 ZINC001600483746 1095100444 /nfs/dbraw/zinc/10/04/44/1095100444.db2.gz NRMDUYYMGWYDQY-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cnc(Cl)c([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC001600623026 1095217927 /nfs/dbraw/zinc/21/79/27/1095217927.db2.gz YDPWLCOFMWXEFD-UHFFFAOYSA-N -2 3 340.788 2.851 20 0 EFADHL Cn1cc(CN[C@@H](CC(=O)[O-])c2cccc(Cl)c2)cc1C(=O)[O-] ZINC001600953091 1095444100 /nfs/dbraw/zinc/44/41/00/1095444100.db2.gz SOLDDTTZBWVFOH-ZDUSSCGKSA-N -2 3 336.775 2.682 20 0 EFADHL Cn1ccc2c1cccc2[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1 ZINC001600977790 1095453116 /nfs/dbraw/zinc/45/31/16/1095453116.db2.gz OKKNWFBBMICYJM-UHFFFAOYSA-N -2 3 336.413 2.565 20 0 EFADHL O=C([O-])c1c[nH]c2cc(NC(=O)Cc3ccc([O-])c(F)c3)ccc12 ZINC001601361641 1095635425 /nfs/dbraw/zinc/63/54/25/1095635425.db2.gz QXDRNBFOEVYRHR-UHFFFAOYSA-N -2 3 328.299 2.892 20 0 EFADHL O=C([O-])[C@@H](Cc1cc2ccccc2o1)NC(=O)c1ccccc1[O-] ZINC001601421605 1095668245 /nfs/dbraw/zinc/66/82/45/1095668245.db2.gz JYBDZVIJIOEVTR-CQSZACIVSA-N -2 3 325.320 2.564 20 0 EFADHL O=C([O-])[C@H](Cc1cc2ccccc2o1)NC(=O)c1ccccc1[O-] ZINC001601421600 1095668278 /nfs/dbraw/zinc/66/82/78/1095668278.db2.gz JYBDZVIJIOEVTR-AWEZNQCLSA-N -2 3 325.320 2.564 20 0 EFADHL O=C([O-])[C@H](Cc1ccc(F)cc1)NC(=O)c1cc([O-])ccc1Cl ZINC001601565569 1095732590 /nfs/dbraw/zinc/73/25/90/1095732590.db2.gz BMWDGRBRFGRBCP-AWEZNQCLSA-N -2 3 337.734 2.610 20 0 EFADHL O=C([O-])c1cc(NC(=O)[N-]O[C@H]2CCCCO2)cc(Cl)c1F ZINC001601563831 1095733621 /nfs/dbraw/zinc/73/36/21/1095733621.db2.gz RRKTXXNLEBOBEF-JTQLQIEISA-N -2 3 332.715 2.757 20 0 EFADHL O=C([O-])[C@H]1CCc2sc(NC(=O)[N-]OCc3ccccc3)nc2C1 ZINC001601563422 1095733656 /nfs/dbraw/zinc/73/36/56/1095733656.db2.gz ZGUIZEADKRPEGN-NSHDSACASA-N -2 3 347.396 2.586 20 0 EFADHL O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cc(Br)ccc1[O-] ZINC001601581645 1095741810 /nfs/dbraw/zinc/74/18/10/1095741810.db2.gz OZRAFTUYGRTDGI-VHSXEESVSA-N -2 3 342.189 2.984 20 0 EFADHL O=C([O-])c1nc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)cs1 ZINC001601634078 1095776712 /nfs/dbraw/zinc/77/67/12/1095776712.db2.gz CMFPGGTZVFOYLD-UHFFFAOYSA-N -2 3 346.393 2.536 20 0 EFADHL O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)[N-]C(=O)C(F)(F)C(F)F ZINC001601642169 1095782038 /nfs/dbraw/zinc/78/20/38/1095782038.db2.gz OGRWZNOLDDCAPX-CMPLNLGQSA-N -2 3 347.308 2.966 20 0 EFADHL O=C([O-])[C@H](NCc1nnc(-c2ccccc2[O-])o1)C1CCCCC1 ZINC001601678773 1095813457 /nfs/dbraw/zinc/81/34/57/1095813457.db2.gz OWUJYXJQJQVWNM-OAHLLOKOSA-N -2 3 331.372 2.565 20 0 EFADHL O=C([O-])[C@@]1([N-]C(=O)C(F)(F)c2ccc(Cl)cc2)CCSC1 ZINC001601718903 1095863063 /nfs/dbraw/zinc/86/30/63/1095863063.db2.gz GTOMGVDFVHJNJG-GFCCVEGCSA-N -2 3 335.759 2.508 20 0 EFADHL O=C([O-])C1=CC[C@@H](NC(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC001601734302 1095874791 /nfs/dbraw/zinc/87/47/91/1095874791.db2.gz AUBKKNRJVQBMLH-MRXNPFEDSA-N -2 3 337.375 2.886 20 0 EFADHL O=C([O-])[C@H]1CC12CCN(C(=O)c1cc3sccc3c([O-])c1)CC2 ZINC001601773964 1095899318 /nfs/dbraw/zinc/89/93/18/1095899318.db2.gz NPPHFESBCYDQOJ-GFCCVEGCSA-N -2 3 331.393 2.934 20 0 EFADHL O=C([O-])CC1(NC(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC001601930080 1095981214 /nfs/dbraw/zinc/98/12/14/1095981214.db2.gz UFWFBPCHLIDWIA-UHFFFAOYSA-N -2 3 327.336 2.922 20 0 EFADHL O=C([O-])C[C@@H]1CN(C(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001601960631 1095994217 /nfs/dbraw/zinc/99/42/17/1095994217.db2.gz RPHONRXKYCOBGM-GFCCVEGCSA-N -2 3 329.327 2.679 20 0 EFADHL O=C([O-])CCc1ccc([O-])c(NC(=O)C(=O)c2ccc(Cl)cc2)c1 ZINC001602043031 1096034030 /nfs/dbraw/zinc/03/40/30/1096034030.db2.gz KVJJGBGXGDVUJM-UHFFFAOYSA-N -2 3 347.754 2.884 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CCC[C@@H]3C[C@@H]32)c1F ZINC001602267131 1096150071 /nfs/dbraw/zinc/15/00/71/1096150071.db2.gz VKAYCNQOIGJCOW-HDBBIHSSSA-N -2 3 347.795 2.644 20 0 EFADHL O=C([O-])c1cc(F)cc([N-]C(=O)c2ncoc2[C@@H]2CCCO2)c1F ZINC001602270555 1096152692 /nfs/dbraw/zinc/15/26/92/1096152692.db2.gz FWLLMLKBZFJHQG-JTQLQIEISA-N -2 3 338.266 2.755 20 0 EFADHL O=C([O-])c1cc(F)cc(NC(=O)c2c[n-]c3ccccc3c2=O)c1F ZINC001602271364 1096153893 /nfs/dbraw/zinc/15/38/93/1096153893.db2.gz UDEQUJJPKQETLV-UHFFFAOYSA-N -2 3 344.273 2.757 20 0 EFADHL O=C([O-])c1ccc(C(=O)Nc2ccc(Br)cc2[O-])o1 ZINC001602324994 1096179209 /nfs/dbraw/zinc/17/92/09/1096179209.db2.gz HSOMJMWQWGACGK-UHFFFAOYSA-N -2 3 326.102 2.698 20 0 EFADHL O=C([O-])c1ccc(CNCc2cccc([O-])c2Br)o1 ZINC001602348269 1096197022 /nfs/dbraw/zinc/19/70/22/1096197022.db2.gz MLSXFPLUMAAUIA-UHFFFAOYSA-N -2 3 326.146 2.736 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)o1 ZINC001602400910 1096223059 /nfs/dbraw/zinc/22/30/59/1096223059.db2.gz XHYSPAVSQVKJPF-UHFFFAOYSA-N -2 3 335.381 2.724 20 0 EFADHL O=C([O-])c1cc(CNCc2cccc(C(=O)[O-])c2)n2c1CCCC2 ZINC001602438831 1096246260 /nfs/dbraw/zinc/24/62/60/1096246260.db2.gz VPABHARJHGJGEI-UHFFFAOYSA-N -2 3 328.368 2.511 20 0 EFADHL O=C([O-])c1ccoc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001602485536 1096268932 /nfs/dbraw/zinc/26/89/32/1096268932.db2.gz MEIZEDXBQLMGSK-UHFFFAOYSA-N -2 3 329.352 2.778 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]Cc1cccc2ccccc21 ZINC001602488845 1096270748 /nfs/dbraw/zinc/27/07/48/1096270748.db2.gz VVKBMXOXTSYRIW-UHFFFAOYSA-N -2 3 331.349 2.610 20 0 EFADHL O=C([O-])c1coc(C(=O)Nc2ccc(Br)cc2[O-])c1 ZINC001602550496 1096294097 /nfs/dbraw/zinc/29/40/97/1096294097.db2.gz FAABSGWVMOBVNR-UHFFFAOYSA-N -2 3 326.102 2.698 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]C[C@H]2CCC[C@@H]2c2ccccc2)c1 ZINC001602557070 1096297090 /nfs/dbraw/zinc/29/70/90/1096297090.db2.gz PMEPBDXZDSDUIY-UKRRQHHQSA-N -2 3 349.408 2.840 20 0 EFADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)s1 ZINC001603019409 1096420949 /nfs/dbraw/zinc/42/09/49/1096420949.db2.gz FRTLNCRQURHPRB-QMMMGPOBSA-N -2 3 349.803 2.795 20 0 EFADHL C[C@H](C(=O)[N-]Oc1cccc(-c2nn[n-]n2)c1)c1ccc(Cl)s1 ZINC001603019409 1096420956 /nfs/dbraw/zinc/42/09/56/1096420956.db2.gz FRTLNCRQURHPRB-QMMMGPOBSA-N -2 3 349.803 2.795 20 0 EFADHL CC(=O)c1ccc(C(=O)Nc2cc(CCC(=O)[O-])ccc2[O-])cc1 ZINC001603107516 1096444242 /nfs/dbraw/zinc/44/42/42/1096444242.db2.gz AFTAFROQJSXPLQ-UHFFFAOYSA-N -2 3 327.336 2.864 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@@H](C[C@@H]2CCCOC2)C(=O)[O-])c([O-])c1 ZINC001603997385 1096690861 /nfs/dbraw/zinc/69/08/61/1096690861.db2.gz YNZZQOGIRRJFSN-WFASDCNBSA-N -2 3 335.400 2.515 20 0 EFADHL CCc1ccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)s1 ZINC001604523566 1096891633 /nfs/dbraw/zinc/89/16/33/1096891633.db2.gz IRMZAEKKBIOHDE-FPLPWBNLSA-N -2 3 328.401 2.855 20 0 EFADHL CCc1ccc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)s1 ZINC001604523566 1096891638 /nfs/dbraw/zinc/89/16/38/1096891638.db2.gz IRMZAEKKBIOHDE-FPLPWBNLSA-N -2 3 328.401 2.855 20 0 EFADHL CCC[C@H](CC)S(=O)(=O)[N-]c1cc(CCC(=O)[O-])ccc1O ZINC001605212356 1097054194 /nfs/dbraw/zinc/05/41/94/1097054194.db2.gz XEASBKXYZWBDAU-LBPRGKRZSA-N -2 3 329.418 2.730 20 0 EFADHL CCCOc1cc(C)ccc1[N-]S(=O)(=O)CC(C)(C)C(=O)[O-] ZINC001605338945 1097101830 /nfs/dbraw/zinc/10/18/30/1097101830.db2.gz JMBYZWKFFPQUEC-UHFFFAOYSA-N -2 3 329.418 2.636 20 0 EFADHL Cc1c(NC(=O)[C@](C)(CC(=O)[O-])CC(C)C)cccc1-c1nnn[n-]1 ZINC001605494204 1097137060 /nfs/dbraw/zinc/13/70/60/1097137060.db2.gz IILIAGNNOWFQDR-KRWDZBQOSA-N -2 3 345.403 2.641 20 0 EFADHL Cc1c(NC(=O)[C@](C)(CC(=O)[O-])CC(C)C)cccc1-c1nn[n-]n1 ZINC001605494204 1097137065 /nfs/dbraw/zinc/13/70/65/1097137065.db2.gz IILIAGNNOWFQDR-KRWDZBQOSA-N -2 3 345.403 2.641 20 0 EFADHL CCc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])c([O-])c1 ZINC001605806476 1097234259 /nfs/dbraw/zinc/23/42/59/1097234259.db2.gz SVULPOYRONOUMI-OAHLLOKOSA-N -2 3 331.343 2.519 20 0 EFADHL CCc1nc(C(=O)[N-]c2cccnc2SCCC(=O)[O-])c(C)o1 ZINC001605846541 1097249300 /nfs/dbraw/zinc/24/93/00/1097249300.db2.gz WJOMASXWSYPGCE-UHFFFAOYSA-N -2 3 335.385 2.760 20 0 EFADHL Cc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)cc1Cl ZINC001605870446 1097259887 /nfs/dbraw/zinc/25/98/87/1097259887.db2.gz HWWVRYKGZWGMLK-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL Cc1sc(C=Cc2ccc(F)c(-c3nnn[n-]3)c2)nc1C(=O)[O-] ZINC001606183514 1097339808 /nfs/dbraw/zinc/33/98/08/1097339808.db2.gz VZSBGDVPTDAUDK-HWKANZROSA-N -2 3 331.332 2.639 20 0 EFADHL Cc1sc(C=Cc2ccc(F)c(-c3nn[n-]n3)c2)nc1C(=O)[O-] ZINC001606183514 1097339813 /nfs/dbraw/zinc/33/98/13/1097339813.db2.gz VZSBGDVPTDAUDK-HWKANZROSA-N -2 3 331.332 2.639 20 0 EFADHL Cc1cc2nccn2cc1NC1(P(=O)([O-])[O-])Cc2ccccc2C1 ZINC001167935951 1097349316 /nfs/dbraw/zinc/34/93/16/1097349316.db2.gz FYBWCBHGEYMBBV-UHFFFAOYSA-N -2 3 343.323 2.727 20 0 EFADHL COC(=O)c1cnc(SCc2ccc(C(=O)[O-])c(Cl)c2)[n-]1 ZINC001606532845 1097415244 /nfs/dbraw/zinc/41/52/44/1097415244.db2.gz UUAUVUJPBXTBLQ-UHFFFAOYSA-N -2 3 326.761 2.840 20 0 EFADHL O=C([O-])c1cccc(C=Cc2ccncc2-c2nnn[n-]2)c1Cl ZINC001606962283 1097481547 /nfs/dbraw/zinc/48/15/47/1097481547.db2.gz NSJUQPCXMJYPFT-PLNGDYQASA-N -2 3 327.731 2.784 20 0 EFADHL O=C([O-])c1cccc(C=Cc2ccncc2-c2nn[n-]n2)c1Cl ZINC001606962283 1097481551 /nfs/dbraw/zinc/48/15/51/1097481551.db2.gz NSJUQPCXMJYPFT-PLNGDYQASA-N -2 3 327.731 2.784 20 0 EFADHL COCc1nc(NC(=O)c2cc([O-])ccc2Cl)sc1C(=O)[O-] ZINC001606978405 1097486639 /nfs/dbraw/zinc/48/66/39/1097486639.db2.gz XPWALDZPODMWFS-UHFFFAOYSA-N -2 3 342.760 2.599 20 0 EFADHL COc1ccc([C@H](NC(=O)c2ccccc2[O-])C(=O)[O-])cc1Cl ZINC001607230468 1097567303 /nfs/dbraw/zinc/56/73/03/1097567303.db2.gz MZKFOSQHIUBMLB-AWEZNQCLSA-N -2 3 335.743 2.610 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(C(=O)[O-])c2C)cc1 ZINC001607289966 1097584593 /nfs/dbraw/zinc/58/45/93/1097584593.db2.gz OXQQKOQCRSDPKU-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL COc1cccc2c(C(=O)O[C@H](C(=O)[O-])c3ccccc3)n[n-]c21 ZINC001607333480 1097604380 /nfs/dbraw/zinc/60/43/80/1097604380.db2.gz HMIARDXYQHINLO-HNNXBMFYSA-N -2 3 326.308 2.554 20 0 EFADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)c3cc(C(=O)[O-])co3)c2)n1 ZINC001607561451 1097662011 /nfs/dbraw/zinc/66/20/11/1097662011.db2.gz ZAEHAWUBVHEYFS-UHFFFAOYSA-N -2 3 340.291 2.668 20 0 EFADHL Cc1cc([C@H](C)N2Cc3nc(C4CC4)[n-]c(=O)c3C2)oc1C(=O)[O-] ZINC001607608925 1097675133 /nfs/dbraw/zinc/67/51/33/1097675133.db2.gz TZEUJBIDZFTKEG-VIFPVBQESA-N -2 3 329.356 2.736 20 0 EFADHL Cc1cc(Cl)cc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCC2)c1[O-] ZINC001607656182 1097691288 /nfs/dbraw/zinc/69/12/88/1097691288.db2.gz TYFZGWQREGJMRT-UHFFFAOYSA-N -3 3 347.820 2.741 20 0 EFADHL Cc1ccc([O-])c(C(=O)Nc2cccnc2SCCC(=O)[O-])c1 ZINC001607811529 1097741205 /nfs/dbraw/zinc/74/12/05/1097741205.db2.gz YFBWTTGYSZDJRW-UHFFFAOYSA-N -2 3 332.381 2.915 20 0 EFADHL O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001608399884 1097911841 /nfs/dbraw/zinc/91/18/41/1097911841.db2.gz OVLBWVYIYLLHJQ-KRWDZBQOSA-N -2 3 335.359 2.971 20 0 EFADHL O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC001608460122 1097925882 /nfs/dbraw/zinc/92/58/82/1097925882.db2.gz WJHLNBGQIZSJMS-BXUZGUMPSA-N -2 3 327.336 2.635 20 0 EFADHL O=C([O-])c1cnc(CNC(=O)c2cc3sccc3c([O-])c2)s1 ZINC001608475448 1097929339 /nfs/dbraw/zinc/92/93/39/1097929339.db2.gz KCTQOEFKRDFALD-UHFFFAOYSA-N -2 3 334.378 2.692 20 0 EFADHL O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)cc1 ZINC001608513168 1097937304 /nfs/dbraw/zinc/93/73/04/1097937304.db2.gz ZAIMHJJIRWCNNW-LSDHHAIUSA-N -2 3 348.358 2.969 20 0 EFADHL O=C([O-])/C=C/c1ccc(OCCOC(=O)c2ccc([O-])cc2)cc1 ZINC001608661794 1097981323 /nfs/dbraw/zinc/98/13/23/1097981323.db2.gz FRKLRXJQHUTQDV-XCVCLJGOSA-N -2 3 328.320 2.726 20 0 EFADHL O=C([O-])c1c(F)ccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1F ZINC001608827871 1098034824 /nfs/dbraw/zinc/03/48/24/1098034824.db2.gz BRJZVZAUCVHRNN-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL O=C([O-])c1cc(Cl)cc(NC(=O)c2cc(F)cc3n[n-]nc32)c1 ZINC001608845725 1098042530 /nfs/dbraw/zinc/04/25/30/1098042530.db2.gz PSHZZCVFYFXDMI-UHFFFAOYSA-N -2 3 334.694 2.701 20 0 EFADHL O=C([O-])c1ccc(NC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)cc1 ZINC001608902841 1098066712 /nfs/dbraw/zinc/06/67/12/1098066712.db2.gz ZRKFLBZVBSCDAA-UHFFFAOYSA-N -2 3 344.273 2.757 20 0 EFADHL O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)c1ccccc1[O-])CCC2 ZINC001608918839 1098071255 /nfs/dbraw/zinc/07/12/55/1098071255.db2.gz CKCXKHJXOFAMMM-CQSZACIVSA-N -2 3 325.364 2.940 20 0 EFADHL O=C([O-])c1ccc2c(c1)[C@@H](CNC(=O)c1c([O-])cccc1O)CCC2 ZINC001608918243 1098071596 /nfs/dbraw/zinc/07/15/96/1098071596.db2.gz DSHRQXGBJCQYMH-CYBMUJFWSA-N -2 3 341.363 2.646 20 0 EFADHL O=C([O-])c1ccc2c(c1)N(Cc1nnc(-c3ccccc3[O-])o1)CC2 ZINC001608924802 1098075116 /nfs/dbraw/zinc/07/51/16/1098075116.db2.gz ZRZMDLDKJSEQRQ-UHFFFAOYSA-N -2 3 337.335 2.703 20 0 EFADHL O=C([O-])c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1[O-] ZINC001608948623 1098087124 /nfs/dbraw/zinc/08/71/24/1098087124.db2.gz OZJQVUQBGHTQRU-UHFFFAOYSA-N -3 3 327.745 2.545 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCC[C@@H](c2ccccc2)C1 ZINC001608956373 1098090302 /nfs/dbraw/zinc/09/03/02/1098090302.db2.gz QQTGHYSYRYIFBT-ZIAGYGMSSA-N -2 3 349.408 2.983 20 0 EFADHL O=C([O-])c1coc(C(=O)COC(=O)c2cc(F)cc(Cl)c2[O-])c1 ZINC001608985862 1098098526 /nfs/dbraw/zinc/09/85/26/1098098526.db2.gz RUWGMIMNTBNAGN-UHFFFAOYSA-N -2 3 342.662 2.516 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H](c2ccco2)c2ccccc2)c1 ZINC001608990545 1098100683 /nfs/dbraw/zinc/10/06/83/1098100683.db2.gz DHRQZBMUVVPZDM-HNNXBMFYSA-N -2 3 347.348 2.639 20 0 EFADHL O=C([O-])c1coc(C(=O)[N-]c2nnc(/C=C\c3ccco3)s2)c1 ZINC001608988023 1098101201 /nfs/dbraw/zinc/10/12/01/1098101201.db2.gz NCNOPHXOYSYZRW-ARJAWSKDSA-N -2 3 331.309 2.845 20 0 EFADHL O=C([O-])c1occc1CN1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC001609004891 1098106684 /nfs/dbraw/zinc/10/66/84/1098106684.db2.gz CIUYLPMRALQCFG-UHFFFAOYSA-N -2 3 329.352 2.778 20 0 EFADHL CC(=Cc1cc2ccccc2o1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060533 1098125704 /nfs/dbraw/zinc/12/57/04/1098125704.db2.gz PHURMSKWUXRFOY-VQHVLOKHSA-N -2 3 334.339 2.977 20 0 EFADHL CC(=Cc1cc2ccccc2o1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060533 1098125710 /nfs/dbraw/zinc/12/57/10/1098125710.db2.gz PHURMSKWUXRFOY-VQHVLOKHSA-N -2 3 334.339 2.977 20 0 EFADHL O=C(Nc1ccc2ccccc2c1)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001609566364 1098383324 /nfs/dbraw/zinc/38/33/24/1098383324.db2.gz UUQCJOUQFSKSIX-UHFFFAOYSA-N -2 3 331.335 2.978 20 0 EFADHL C[C@@H](CCC1CCCCC1)[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC001609738679 1098442906 /nfs/dbraw/zinc/44/29/06/1098442906.db2.gz OFPLHAXYAJBICA-JTQLQIEISA-N -2 3 346.474 2.869 20 0 EFADHL CC[C@](NCc1nc(=O)c2sccc2[n-]1)(C(=O)[O-])c1ccccc1 ZINC001609930228 1098496997 /nfs/dbraw/zinc/49/69/97/1098496997.db2.gz FGFPQZSGVSJHPJ-QGZVFWFLSA-N -2 3 343.408 2.877 20 0 EFADHL CCC[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001609959211 1098507078 /nfs/dbraw/zinc/50/70/78/1098507078.db2.gz KKBWLHNZLNLORW-GHMZBOCLSA-N -2 3 346.474 2.726 20 0 EFADHL CCCCOc1ccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c([O-])c1 ZINC001609969951 1098509997 /nfs/dbraw/zinc/50/99/97/1098509997.db2.gz GMIIAAKLTCLILO-OAHLLOKOSA-N -2 3 347.411 2.898 20 0 EFADHL CCc1cccc(C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)c1[O-] ZINC001610065398 1098536421 /nfs/dbraw/zinc/53/64/21/1098536421.db2.gz RONBQCWGMBXOPT-UHFFFAOYSA-N -2 3 345.351 2.922 20 0 EFADHL Cc1cc(F)ccc1S(=O)(=O)[N-]c1ncc(C(=O)[O-])cc1Cl ZINC001610466785 1098694623 /nfs/dbraw/zinc/69/46/23/1098694623.db2.gz SPZGDOORVZXYAS-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2ccc(F)c(C(=O)[O-])c2C)c(=O)[n-]1 ZINC001610553690 1098750014 /nfs/dbraw/zinc/75/00/14/1098750014.db2.gz UYIXRGQJFSMCHL-UHFFFAOYSA-N -2 3 347.346 2.516 20 0 EFADHL O=C([O-])c1cc(F)cc([N-]C(=O)c2nc3cccnc3s2)c1F ZINC001610705907 1098837559 /nfs/dbraw/zinc/83/75/59/1098837559.db2.gz QOPYCUGDMYQFCM-UHFFFAOYSA-N -2 3 335.291 2.920 20 0 EFADHL O=C([O-])c1cccc2nc(NC(=O)c3c([O-])cccc3Cl)[nH]c21 ZINC001610712679 1098840336 /nfs/dbraw/zinc/84/03/36/1098840336.db2.gz LLIISPDEZJNGDA-UHFFFAOYSA-N -2 3 331.715 2.872 20 0 EFADHL O=C([O-])COc1ccc([N-]S(=O)(=O)c2ccc(C3CC3)cc2)cc1 ZINC001610787287 1098887587 /nfs/dbraw/zinc/88/75/87/1098887587.db2.gz SXWLUGPWCSQITE-UHFFFAOYSA-N -2 3 347.392 2.828 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CC2(C3CC3)CC2)c(F)cc1Cl ZINC001610816033 1098908358 /nfs/dbraw/zinc/90/83/58/1098908358.db2.gz CCYWGTFREZAOEP-UHFFFAOYSA-N -2 3 347.795 2.646 20 0 EFADHL O=C([O-])c1ccc(C[N-]c2nnc([C@@H]3Cc4ccccc4O3)o2)o1 ZINC001610828697 1098917964 /nfs/dbraw/zinc/91/79/64/1098917964.db2.gz VZSPNOYSYDKXST-ZDUSSCGKSA-N -2 3 327.296 2.649 20 0 EFADHL O=C([O-])c1ccc(CS(=O)(=O)[N-]c2cc3c(cn2)CCCC3)cc1 ZINC001610829810 1098920741 /nfs/dbraw/zinc/92/07/41/1098920741.db2.gz NAFYCTTWGPCSRT-UHFFFAOYSA-N -2 3 346.408 2.601 20 0 EFADHL O=C([O-])c1sccc1[N-]S(=O)(=O)C1=Cc2ccccc2OC1 ZINC001610875310 1098950663 /nfs/dbraw/zinc/95/06/63/1098950663.db2.gz JMWQRJLDAJYHBC-UHFFFAOYSA-N -2 3 337.378 2.622 20 0 EFADHL CC(C)(C)[C@H](NC(=O)c1cc2sccc2c([O-])c1)c1nc(=O)o[n-]1 ZINC001643470227 1101302348 /nfs/dbraw/zinc/30/23/48/1101302348.db2.gz FWUKKAGPOCEPQC-GFCCVEGCSA-N -2 3 347.396 2.800 20 0 EFADHL NC(=O)c1ccc(Nc2ccc(C(=O)[O-])c(C(F)(F)F)c2)cc1[O-] ZINC001211491924 1108774158 /nfs/dbraw/zinc/77/41/58/1108774158.db2.gz HZRWCODDEPTACV-UHFFFAOYSA-N -2 3 340.257 2.952 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2cccc(Cl)c2Cl)CCCC1 ZINC000037463603 213148128 /nfs/dbraw/zinc/14/81/28/213148128.db2.gz RLJDHARITHSPDF-UHFFFAOYSA-N -2 3 338.212 2.669 20 0 EFADHL O=C(Nc1cc(F)ccc1[O-])c1nn(-c2ccccc2F)cc1[O-] ZINC000174905468 239248785 /nfs/dbraw/zinc/24/87/85/239248785.db2.gz NMHMEJISJAVAQK-UHFFFAOYSA-N -2 3 331.278 2.814 20 0 EFADHL CCCC[C@@H]([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000231806633 242271472 /nfs/dbraw/zinc/27/14/72/242271472.db2.gz NJSOGNFKFYIZMM-MRVPVSSYSA-N -2 3 325.839 2.632 20 0 EFADHL Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(C(=O)[O-])c1F ZINC000427315870 247336401 /nfs/dbraw/zinc/33/64/01/247336401.db2.gz PJPSCAPNZZAKOR-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)ccc1F ZINC000427319244 247338347 /nfs/dbraw/zinc/33/83/47/247338347.db2.gz HGRZUHVNLASZOF-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CCCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1[O-] ZINC000433515521 248068530 /nfs/dbraw/zinc/06/85/30/248068530.db2.gz CETFNBLLPBHRDO-UHFFFAOYSA-N -3 3 335.381 2.844 20 0 EFADHL Cc1cc(Br)c([O-])c([N-]S(=O)(=O)CCCCF)c1 ZINC000295223402 295284756 /nfs/dbraw/zinc/28/47/56/295284756.db2.gz RKCXOZYHSWMMPG-UHFFFAOYSA-N -2 3 340.214 2.955 20 0 EFADHL Cc1nn(C(C)C)cc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000443450085 250196528 /nfs/dbraw/zinc/19/65/28/250196528.db2.gz UOPGDESCWRASPO-ALCCZGGFSA-N -2 3 330.388 2.764 20 0 EFADHL Cc1ccc2ncc(C=Cc3nc(C)c(CCC(=O)[O-])c(=O)[n-]3)n2c1 ZINC000443457583 250197541 /nfs/dbraw/zinc/19/75/41/250197541.db2.gz ZHKJFIPGFZRQQH-XQRVVYSFSA-N -2 3 338.367 2.634 20 0 EFADHL CCN=c1[n-]c(C(=O)N=c2cc(-c3cc(C)ccc3F)[n-][nH]2)cs1 ZINC000444813774 250353524 /nfs/dbraw/zinc/35/35/24/250353524.db2.gz RFDKWUDEJVPUEP-UHFFFAOYSA-N -2 3 345.403 2.509 20 0 EFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)C(=O)[O-] ZINC000094703085 218268716 /nfs/dbraw/zinc/26/87/16/218268716.db2.gz QTANMKDVKTZZEA-SECBINFHSA-N -2 3 337.800 2.504 20 0 EFADHL Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(OCC(=O)[O-])c(C)c1 ZINC000095393358 218324926 /nfs/dbraw/zinc/32/49/26/218324926.db2.gz NVRJYYAIIRDSMJ-UHFFFAOYSA-N -2 3 349.408 2.876 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)c(F)c(F)c2)c(F)c1 ZINC000361990099 304248510 /nfs/dbraw/zinc/24/85/10/304248510.db2.gz ZTFRWSPOLYABLO-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL C[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]1C ZINC000237586791 296442042 /nfs/dbraw/zinc/44/20/42/296442042.db2.gz ZLTVQHAULMINHC-GIPNMCIBSA-N -2 3 329.393 2.627 20 0 EFADHL Cc1oc(C[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1C(=O)[O-] ZINC000314486914 545810163 /nfs/dbraw/zinc/81/01/63/545810163.db2.gz QJNTYDDVVRNXCK-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(NC(C)(C)CCC(=O)[O-])nc2)n1 ZINC000263397729 141390942 /nfs/dbraw/zinc/39/09/42/141390942.db2.gz IBTGMOBCAFKMJT-UHFFFAOYSA-N -2 3 330.388 2.862 20 0 EFADHL CCOc1cc(CN2CCC[C@@H]2C(=O)[O-])cc(Br)c1[O-] ZINC000263445174 141394690 /nfs/dbraw/zinc/39/46/90/141394690.db2.gz XPZBQCYJAFSOQV-LLVKDONJSA-N -2 3 344.205 2.602 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1C(=O)[O-] ZINC000341271950 145023713 /nfs/dbraw/zinc/02/37/13/145023713.db2.gz IBEQHWMPRJPIJA-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(SC)c2)c1 ZINC000342622450 145161224 /nfs/dbraw/zinc/16/12/24/145161224.db2.gz NUVXLINFVZKJAU-UHFFFAOYSA-N -2 3 325.411 2.924 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3[nH]c(C)cc3c2)c1 ZINC000342789135 145193681 /nfs/dbraw/zinc/19/36/81/145193681.db2.gz ZNRLBOXFLUBIMH-UHFFFAOYSA-N -2 3 332.381 2.991 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)cc1C(=O)[O-] ZINC000350937321 146101936 /nfs/dbraw/zinc/10/19/36/146101936.db2.gz GRCFGJOFAGXOBI-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL O=C([O-])c1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccc1F ZINC000356666145 147304254 /nfs/dbraw/zinc/30/42/54/147304254.db2.gz FSLBBTURBWRTSF-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL O=C([O-])c1ccc(F)c([N-]S(=O)(=O)c2ccc3ncccc3c2)c1 ZINC000356692623 147311023 /nfs/dbraw/zinc/31/10/23/147311023.db2.gz WJTTYMWCDKSZMF-UHFFFAOYSA-N -2 3 346.339 2.873 20 0 EFADHL CSc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2[O-])cc1 ZINC000360498452 148376172 /nfs/dbraw/zinc/37/61/72/148376172.db2.gz BHSFLEXJBFODHM-UHFFFAOYSA-N -3 3 339.394 2.613 20 0 EFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000136257615 544693300 /nfs/dbraw/zinc/69/33/00/544693300.db2.gz PTYIEQMTLBCZDC-JTQLQIEISA-N -2 3 340.228 2.771 20 0 EFADHL O=C(C=Cc1ccc2c(c1)CCO2)[N-]N=c1cnc2ccccc2[n-]1 ZINC000163457473 544834950 /nfs/dbraw/zinc/83/49/50/544834950.db2.gz GADODEGOUWFNMC-SOFGYWHQSA-N -2 3 332.363 2.721 20 0 EFADHL O=C(C=Cc1nc2ccccc2o1)[N-]N=c1cnc2ccccc2[n-]1 ZINC000163444209 544835139 /nfs/dbraw/zinc/83/51/39/544835139.db2.gz ZDLHLBPKOIOEHC-MDZDMXLPSA-N -2 3 331.335 2.928 20 0 EFADHL CC(=O)Nc1ccc(C=CC(=O)[N-]N=c2cnc3ccccc3[n-]2)cc1 ZINC000163565079 544835880 /nfs/dbraw/zinc/83/58/80/544835880.db2.gz LGJIABNZAQMATM-DHZHZOJOSA-N -2 3 347.378 2.745 20 0 EFADHL COc1ccc(OCCS(=O)(=O)[N-]c2c(C)cccc2[O-])cc1 ZINC000271977550 266113419 /nfs/dbraw/zinc/11/34/19/266113419.db2.gz WGDWOZPCDHRUPP-UHFFFAOYSA-N -2 3 337.397 2.530 20 0 EFADHL CC(C)N(CC(=O)[O-])C(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000263462782 273076252 /nfs/dbraw/zinc/07/62/52/273076252.db2.gz WBCPUTMTANYUDI-UHFFFAOYSA-N -2 3 327.380 2.918 20 0 EFADHL C[C@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000273669328 273117552 /nfs/dbraw/zinc/11/75/52/273117552.db2.gz JFQSSLQLXVIOTM-CPCISQLKSA-N -2 3 335.784 2.644 20 0 EFADHL C[C@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000282071936 273510420 /nfs/dbraw/zinc/51/04/20/273510420.db2.gz VMCGAZPOOUBYSE-SSDOTTSWSA-N -2 3 326.201 2.525 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C[C@@H]2CCCC(F)(F)C2)c1 ZINC000283761841 273755718 /nfs/dbraw/zinc/75/57/18/273755718.db2.gz HUJKPFQNQCZNMC-MRVPVSSYSA-N -2 3 339.385 2.550 20 0 EFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000087491896 280254037 /nfs/dbraw/zinc/25/40/37/280254037.db2.gz JICXNRZWIWEQEK-QMMMGPOBSA-N -2 3 340.228 2.629 20 0 EFADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000087672995 292828526 /nfs/dbraw/zinc/82/85/26/292828526.db2.gz CIVBCDYAHACPGP-DTWKUNHWSA-N -2 3 339.866 2.959 20 0 EFADHL CC[C@H](C)CO[N-]C(=O)CCc1c(C)nc(-c2ccncc2)[n-]c1=O ZINC000293746567 295040428 /nfs/dbraw/zinc/04/04/28/295040428.db2.gz OSCIZGOKIVCTGT-LBPRGKRZSA-N -2 3 344.415 2.579 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000357701406 301155701 /nfs/dbraw/zinc/15/57/01/301155701.db2.gz STUDUDNGOMFUEB-NSHDSACASA-N -2 3 347.392 2.817 20 0 EFADHL Cc1ccc(-n2[n-]c(C(=O)Nc3cc(F)ccc3[O-])cc2=O)cc1 ZINC000179652185 310789891 /nfs/dbraw/zinc/78/98/91/310789891.db2.gz NSEONDDNAMKDAB-UHFFFAOYSA-N -2 3 327.315 2.571 20 0 EFADHL CC[C@@H](CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000297233871 310869321 /nfs/dbraw/zinc/86/93/21/310869321.db2.gz PDFCUPXXTQXIEY-ZETCQYMHSA-N -2 3 345.364 2.546 20 0 EFADHL CCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1 ZINC000320728531 311238011 /nfs/dbraw/zinc/23/80/11/311238011.db2.gz WXAZYEQDOKGBDV-UHFFFAOYSA-N -2 3 335.381 2.974 20 0 EFADHL [O-]c1ccc(F)c(CN=c2[n-]nc(CCc3ccccc3)o2)c1F ZINC000438928658 312625742 /nfs/dbraw/zinc/62/57/42/312625742.db2.gz IIEVDVUBRMQRLY-UHFFFAOYSA-N -2 3 331.322 2.873 20 0 EFADHL O=C(/C=C\c1cncc([O-])c1)NCc1ccc([O-])c(Br)c1 ZINC000492479434 314005863 /nfs/dbraw/zinc/00/58/63/314005863.db2.gz ZMSWBOIUZTUNPZ-RQOWECAXSA-N -2 3 349.184 2.585 20 0 EFADHL Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000515643353 315632203 /nfs/dbraw/zinc/63/22/03/315632203.db2.gz ODXDRWGDHAOPBU-LBPRGKRZSA-N -2 3 337.397 2.504 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1C(=O)[O-])c1nccs1 ZINC000521998923 316060816 /nfs/dbraw/zinc/06/08/16/316060816.db2.gz QJHOGUIHFUPIBF-LLVKDONJSA-N -2 3 340.426 2.579 20 0 EFADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000536658169 317651119 /nfs/dbraw/zinc/65/11/19/317651119.db2.gz RPQCFJVUZOURNQ-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL CC1(C)CCC([N-]S(=O)(=O)c2ccccc2F)(C(=O)[O-])CC1 ZINC000541003505 317765118 /nfs/dbraw/zinc/76/51/18/317765118.db2.gz MBNQYEALRYQAKY-UHFFFAOYSA-N -2 3 329.393 2.528 20 0 EFADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)Cc1c(F)cccc1F ZINC000547544258 318017969 /nfs/dbraw/zinc/01/79/69/318017969.db2.gz KCSFMRCNJAZPRF-UHFFFAOYSA-N -2 3 341.335 2.913 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@H](C)C2)c(F)c1 ZINC000547568343 318019478 /nfs/dbraw/zinc/01/94/78/318019478.db2.gz LMUYUAVQYJQPQU-LRDDRELGSA-N -2 3 343.420 2.694 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c(F)cc1F ZINC000547608733 318021114 /nfs/dbraw/zinc/02/11/14/318021114.db2.gz KZMDQLCIIBPHID-ONGXEEELSA-N -2 3 349.399 2.831 20 0 EFADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000547613199 318021546 /nfs/dbraw/zinc/02/15/46/318021546.db2.gz ZPOQCVWJKOAXMT-ZANVPECISA-N -2 3 335.372 2.523 20 0 EFADHL CCC[C@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000547613198 318021479 /nfs/dbraw/zinc/02/14/79/318021479.db2.gz ZPOQCVWJKOAXMT-TVQRCGJNSA-N -2 3 335.372 2.523 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-] ZINC000547934695 318053478 /nfs/dbraw/zinc/05/34/78/318053478.db2.gz VBTYJHFUBCOVFU-NWDGAFQWSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)c(F)cc1F ZINC000548208865 318084317 /nfs/dbraw/zinc/08/43/17/318084317.db2.gz DSQGGRXTQBYBKF-SNVBAGLBSA-N -2 3 349.399 2.689 20 0 EFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000548269099 318087608 /nfs/dbraw/zinc/08/76/08/318087608.db2.gz QYSMRNWDWIEVEZ-VIFPVBQESA-N -2 3 337.800 2.791 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]C[C@@H](C)CC(=O)[O-] ZINC000548268148 318087740 /nfs/dbraw/zinc/08/77/40/318087740.db2.gz XTAJZRXBGFKJRG-QMMMGPOBSA-N -2 3 345.804 2.784 20 0 EFADHL Cc1cccc([O-])c1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC000548477535 318112502 /nfs/dbraw/zinc/11/25/02/318112502.db2.gz GVENFVUCWRRNTI-SJCJKPOMSA-N -2 3 337.441 2.838 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-]C[C@@]2(CC(=O)[O-])CC[C@@H](C)C2)c1 ZINC000548540630 318118618 /nfs/dbraw/zinc/11/86/18/318118618.db2.gz AMPNVLFUAXHGPZ-WBMJQRKESA-N -2 3 343.420 2.694 20 0 EFADHL C[C@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000548554139 318119020 /nfs/dbraw/zinc/11/90/20/318119020.db2.gz FRJIKAJQDFKWBO-OCCSQVGLSA-N -2 3 349.811 2.791 20 0 EFADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000548591096 318121235 /nfs/dbraw/zinc/12/12/35/318121235.db2.gz CJNBPOXUINAVHA-DGCLKSJQSA-N -2 3 329.393 2.528 20 0 EFADHL O=C([O-])[C@@H]1CCCCCC[C@H]1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000548596210 318121837 /nfs/dbraw/zinc/12/18/37/318121837.db2.gz GXFBXTDNVPHANR-DGCLKSJQSA-N -2 3 347.383 2.667 20 0 EFADHL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1cncc(Cl)c1)C(=O)[O-] ZINC000551593429 318210485 /nfs/dbraw/zinc/21/04/85/318210485.db2.gz XMPHAODCLWQYPY-AWEZNQCLSA-N -2 3 348.852 2.683 20 0 EFADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000556701382 318400678 /nfs/dbraw/zinc/40/06/78/318400678.db2.gz SRCHQIZPZBJJFU-LLVKDONJSA-N -2 3 339.388 2.901 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H]2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000560888765 318580213 /nfs/dbraw/zinc/58/02/13/318580213.db2.gz BVCRYPVOVOLAJG-CHWSQXEVSA-N -2 3 337.422 2.648 20 0 EFADHL CC(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000562925470 318713771 /nfs/dbraw/zinc/71/37/71/318713771.db2.gz HFQOTWKDIAGSPD-JTQLQIEISA-N -2 3 340.228 2.771 20 0 EFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000563075941 318737565 /nfs/dbraw/zinc/73/75/65/318737565.db2.gz DVFUHCALJJAERP-UHFFFAOYSA-N -2 3 345.392 2.534 20 0 EFADHL C[C@@H]1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C[C@@H]1C(=O)[O-] ZINC000567166237 319144821 /nfs/dbraw/zinc/14/48/21/319144821.db2.gz UJKMHRSIQOGFQI-PWSUYJOCSA-N -2 3 341.367 2.624 20 0 EFADHL CC(C)(C)c1n[n-]c(CN=c2[n-]nc(Cc3ccc(F)cc3)s2)n1 ZINC000567706689 319200826 /nfs/dbraw/zinc/20/08/26/319200826.db2.gz DQROFPHDHSTCSE-UHFFFAOYSA-N -2 3 346.435 2.718 20 0 EFADHL CC[C@](C)([N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1nccs1 ZINC000567798017 319212210 /nfs/dbraw/zinc/21/22/10/319212210.db2.gz IJRBCPZMGIIUGR-LBPRGKRZSA-N -2 3 346.455 2.507 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCCC[C@H]3C2)o1 ZINC000567805567 319213033 /nfs/dbraw/zinc/21/30/33/319213033.db2.gz LVGXYRWYYWGQJB-SDDRHHMPSA-N -2 3 327.402 2.615 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CCC[C@H](C)C(=O)[O-] ZINC000567990142 319234361 /nfs/dbraw/zinc/23/43/61/319234361.db2.gz TVDMSAGVAMBOHA-VIFPVBQESA-N -2 3 343.376 2.660 20 0 EFADHL Cc1cc(C(=O)[O-])c([N-]S(=O)(=O)CCC(F)(F)F)cc1F ZINC000569128737 319351448 /nfs/dbraw/zinc/35/14/48/319351448.db2.gz KWGYJQUKVXPQNE-UHFFFAOYSA-N -2 3 329.271 2.526 20 0 EFADHL CC(C)(C)c1sc(C(=O)[O-])cc1S(=O)(=O)[N-]CC(C)(F)F ZINC000570335582 319467010 /nfs/dbraw/zinc/46/70/10/319467010.db2.gz BRDXBTQDZKKQFW-UHFFFAOYSA-N -2 3 341.401 2.677 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](c2ccccc2)C(C)C)cc1C(=O)[O-] ZINC000570679513 319501855 /nfs/dbraw/zinc/50/18/55/319501855.db2.gz ZEXMBWQQHWARGH-HNNXBMFYSA-N -2 3 337.397 2.962 20 0 EFADHL Cc1nn(C(C)C)c(C)c1S(=O)(=O)[N-]c1cc([O-])c(F)cc1F ZINC000573339422 319757115 /nfs/dbraw/zinc/75/71/15/319757115.db2.gz UMOCQTCTEHQWDP-UHFFFAOYSA-N -2 3 345.371 2.865 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC(C)(C)c3ccccc32)cc1C(=O)[O-] ZINC000576582525 320029864 /nfs/dbraw/zinc/02/98/64/320029864.db2.gz SPVXDWDGLXYBCE-CQSZACIVSA-N -2 3 349.408 2.987 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000577726197 320138405 /nfs/dbraw/zinc/13/84/05/320138405.db2.gz QRRWZRICQFDINH-DZGCQCFKSA-N -2 3 349.408 2.668 20 0 EFADHL C[C@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000013308425 323210851 /nfs/dbraw/zinc/21/08/51/323210851.db2.gz HTNOKJDYQZZCKQ-SNVBAGLBSA-N -2 3 325.411 2.528 20 0 EFADHL C[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000013308423 323211099 /nfs/dbraw/zinc/21/10/99/323211099.db2.gz HTNOKJDYQZZCKQ-JTQLQIEISA-N -2 3 325.411 2.528 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)c(F)c1 ZINC000184940415 323378025 /nfs/dbraw/zinc/37/80/25/323378025.db2.gz ONFJIHZUZZXPEW-UHFFFAOYSA-N -2 3 349.339 2.749 20 0 EFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000391713568 323783794 /nfs/dbraw/zinc/78/37/94/323783794.db2.gz AOAHLMQXAWHDTH-JTQLQIEISA-N -2 3 340.228 2.915 20 0 EFADHL CC(C)[C@@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000399459720 323796142 /nfs/dbraw/zinc/79/61/42/323796142.db2.gz PRKJRMFTLXMNIU-PRHODGIISA-N -2 3 337.800 2.503 20 0 EFADHL Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000579469540 323965205 /nfs/dbraw/zinc/96/52/05/323965205.db2.gz JVVNKACGWSOGIZ-LBPRGKRZSA-N -2 3 337.397 2.504 20 0 EFADHL CCOC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000579670011 324005321 /nfs/dbraw/zinc/00/53/21/324005321.db2.gz JQEDBFLPXHUWCX-UHFFFAOYSA-N -2 3 339.344 2.509 20 0 EFADHL O=C([O-])CC1([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)CC1 ZINC000579720060 324021045 /nfs/dbraw/zinc/02/10/45/324021045.db2.gz YWCOBFTZTFMQTD-UHFFFAOYSA-N -2 3 345.829 2.840 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000580950347 324274141 /nfs/dbraw/zinc/27/41/41/324274141.db2.gz KXZBRGPLTQREAG-MNOVXSKESA-N -2 3 337.397 2.757 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CCC[C@H]2Cc2ccccc2)c1 ZINC000583319964 324787597 /nfs/dbraw/zinc/78/75/97/324787597.db2.gz RYJYTZDSJGUAMZ-ZFWWWQNUSA-N -2 3 349.408 2.668 20 0 EFADHL CCc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000081976651 473282979 /nfs/dbraw/zinc/28/29/79/473282979.db2.gz WNVYKUYHDIQWIJ-UHFFFAOYSA-N -2 3 335.381 2.757 20 0 EFADHL O=C([O-])c1c[nH]c2cc([N-]S(=O)(=O)CCC(F)(F)F)ccc12 ZINC000171940302 473486283 /nfs/dbraw/zinc/48/62/83/473486283.db2.gz MCECOPYETMEUNK-UHFFFAOYSA-N -2 3 336.291 2.560 20 0 EFADHL O=C([O-])C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000388278834 476776171 /nfs/dbraw/zinc/77/61/71/476776171.db2.gz XDFJVQXBNMETKO-ONGXEEELSA-N -2 3 349.811 2.791 20 0 EFADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1 ZINC000012808704 471798536 /nfs/dbraw/zinc/79/85/36/471798536.db2.gz VVBLLBNXYCRVGM-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL O=C([O-])c1ccc(Cl)cc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000013309795 471825074 /nfs/dbraw/zinc/82/50/74/471825074.db2.gz PIOLVKOYQZXRPM-UHFFFAOYSA-N -2 3 325.773 2.980 20 0 EFADHL O=C([O-])c1ccc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000035038052 471992354 /nfs/dbraw/zinc/99/23/54/471992354.db2.gz FWXCOMWVGDQTAT-UHFFFAOYSA-N -2 3 345.829 2.621 20 0 EFADHL CCCCC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000035651063 471996609 /nfs/dbraw/zinc/99/66/09/471996609.db2.gz LSEFURIOZCGCNA-UHFFFAOYSA-N -2 3 335.809 2.515 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2cc(Cl)ccc2Cl)CCCC1 ZINC000036961581 472007822 /nfs/dbraw/zinc/00/78/22/472007822.db2.gz ZECRREVAGUAQKB-UHFFFAOYSA-N -2 3 338.212 2.669 20 0 EFADHL O=C([O-])C1([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CCCC1 ZINC000037463595 472013069 /nfs/dbraw/zinc/01/30/69/472013069.db2.gz RJTLBTWFTYSPMW-UHFFFAOYSA-N -2 3 338.212 2.669 20 0 EFADHL Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C ZINC000031666546 472387985 /nfs/dbraw/zinc/38/79/85/472387985.db2.gz YRKOOGMHOPOPHD-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000096744464 472397521 /nfs/dbraw/zinc/39/75/21/472397521.db2.gz WCAMKZFLBZIPCN-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000070198424 472495380 /nfs/dbraw/zinc/49/53/80/472495380.db2.gz MZFWPRGMVCSVPS-UHFFFAOYSA-N -2 3 326.201 2.527 20 0 EFADHL C[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000070311787 472497344 /nfs/dbraw/zinc/49/73/44/472497344.db2.gz OBNNSWSVXYPISH-ZETCQYMHSA-N -2 3 326.201 2.525 20 0 EFADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000047318004 472689384 /nfs/dbraw/zinc/68/93/84/472689384.db2.gz XOYSRYNZGGGWOT-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL COc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000047454265 472715576 /nfs/dbraw/zinc/71/55/76/472715576.db2.gz NOTCAQDRXOMSJB-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CC(C)(C)C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000134700604 472955041 /nfs/dbraw/zinc/95/50/41/472955041.db2.gz AJJWHYWKAVHCMT-MRVPVSSYSA-N -2 3 339.866 2.959 20 0 EFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000123909559 473197053 /nfs/dbraw/zinc/19/70/53/473197053.db2.gz VSHXCOVGNQEPOV-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL CCCC[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000262620140 473702429 /nfs/dbraw/zinc/70/24/29/473702429.db2.gz CMRAVGDQLMXSOJ-ZETCQYMHSA-N -2 3 345.364 2.689 20 0 EFADHL O=C([N-]Cc1ccc([O-])c(Br)c1)C(F)(F)C(F)F ZINC000269128174 473703725 /nfs/dbraw/zinc/70/37/25/473703725.db2.gz ZYXXYALGVVCNTD-UHFFFAOYSA-N -2 3 330.075 2.671 20 0 EFADHL CCOC(=O)c1cnc(C(C)=Cc2ccc([O-])c(Cl)c2)[n-]c1=O ZINC000188022003 473957625 /nfs/dbraw/zinc/95/76/25/473957625.db2.gz CHIFKOKDGBLRHX-RMKNXTFCSA-N -2 3 334.759 2.866 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2cccc(Cl)c2)c(F)c1 ZINC000174271575 474015670 /nfs/dbraw/zinc/01/56/70/474015670.db2.gz XUXJZUMYCDUMJD-UHFFFAOYSA-N -2 3 343.763 2.656 20 0 EFADHL COc1ccc(Cl)c(S(=O)(=O)[N-][C@H](CC(=O)[O-])C(C)(C)C)c1 ZINC000274945424 474024733 /nfs/dbraw/zinc/02/47/33/474024733.db2.gz FRJGWBAPODVYLL-GFCCVEGCSA-N -2 3 349.836 2.516 20 0 EFADHL C[C@@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000275038410 474049798 /nfs/dbraw/zinc/04/97/98/474049798.db2.gz VDQGLLOJQCNTSO-VIFPVBQESA-N -2 3 339.335 2.627 20 0 EFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000217105315 474141997 /nfs/dbraw/zinc/14/19/97/474141997.db2.gz BFVAYCZWDMGMOS-LBPRGKRZSA-N -2 3 340.228 2.773 20 0 EFADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000275324988 474144928 /nfs/dbraw/zinc/14/49/28/474144928.db2.gz SUWNSXKKPSBKNQ-UHFFFAOYSA-N -2 3 335.372 2.668 20 0 EFADHL CCc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000225530548 474222563 /nfs/dbraw/zinc/22/25/63/474222563.db2.gz QONJBTXAVYWSTC-UHFFFAOYSA-N -2 3 347.392 2.683 20 0 EFADHL CC(C)c1cccc(C(=O)[O-])c1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000265813754 474347697 /nfs/dbraw/zinc/34/76/97/474347697.db2.gz AKSYMZCVEDKNTA-GFCCVEGCSA-N -2 3 341.429 2.819 20 0 EFADHL CC[C@@H](C)[N-]S(=O)(=O)c1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000184839447 474617995 /nfs/dbraw/zinc/61/79/95/474617995.db2.gz ONLSVUGGFAKJOX-ZCFIWIBFSA-N -2 3 326.201 2.768 20 0 EFADHL CO[C@@H](C)c1nc(=NC(=O)c2cc([O-])ccc2C(F)(F)F)s[n-]1 ZINC000338917207 474731885 /nfs/dbraw/zinc/73/18/85/474731885.db2.gz WCICMCNXOXWLBJ-LURJTMIESA-N -2 3 347.318 2.644 20 0 EFADHL CCc1cccc([N-]S(=O)(=O)c2ccc(OC)c(CC(=O)[O-])c2)c1 ZINC000340906485 474766502 /nfs/dbraw/zinc/76/65/02/474766502.db2.gz AIZQGOUSHUENAH-UHFFFAOYSA-N -2 3 349.408 2.686 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C)c2)cc1CC(=O)[O-] ZINC000340912036 474771378 /nfs/dbraw/zinc/77/13/78/474771378.db2.gz MHTSLKWTQWFRBV-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)C(=O)[O-] ZINC000284964332 474843959 /nfs/dbraw/zinc/84/39/59/474843959.db2.gz DZTPHHJDBOPSNJ-MRVPVSSYSA-N -2 3 345.726 2.500 20 0 EFADHL O=C([O-])[C@H](CC1CC1)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000312706992 474851444 /nfs/dbraw/zinc/85/14/44/474851444.db2.gz CPVZPPBCNHGPKQ-JTQLQIEISA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccccc2F)c(Cl)c1 ZINC000314484437 474863167 /nfs/dbraw/zinc/86/31/67/474863167.db2.gz PKPYHCCRSGTQLQ-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@H]1CCC[C@H]1C ZINC000316953967 474882588 /nfs/dbraw/zinc/88/25/88/474882588.db2.gz YYNJYFWTIPMXPG-KCJUWKMLSA-N -2 3 347.820 2.514 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)c(C)c1 ZINC000339073942 474902337 /nfs/dbraw/zinc/90/23/37/474902337.db2.gz BGYNMQGUOXOBJI-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL C/C=C/c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1 ZINC000341070714 474941079 /nfs/dbraw/zinc/94/10/79/474941079.db2.gz WTJGKOKCEJVLFE-NSCUHMNNSA-N -2 3 347.392 2.984 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1C ZINC000322865943 474943209 /nfs/dbraw/zinc/94/32/09/474943209.db2.gz OELBQIIFAFXLMA-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000323257711 474948090 /nfs/dbraw/zinc/94/80/90/474948090.db2.gz VOAGTCJZFKBMPS-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](CC(C)C)C(=O)[O-])c(Cl)cc1F ZINC000261664221 475016023 /nfs/dbraw/zinc/01/60/23/475016023.db2.gz JNBYDRQCFJXGAG-LLVKDONJSA-N -2 3 337.800 2.565 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cc(Cl)c([O-])cc1F ZINC000345667860 475350967 /nfs/dbraw/zinc/35/09/67/475350967.db2.gz YZCYISQGHROQIJ-UHFFFAOYSA-N -2 3 343.767 2.963 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)c(C)c1C(=O)[O-] ZINC000338124852 475606663 /nfs/dbraw/zinc/60/66/63/475606663.db2.gz CUOIUOHHDPVIIZ-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)cc1O ZINC000338129439 475611059 /nfs/dbraw/zinc/61/10/59/475611059.db2.gz WAQSPJOMJUMNND-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL CC[C@@H](Cc1ccc([N-]S(=O)(=O)CCOC(C)C)cc1)C(=O)[O-] ZINC000361775346 475741833 /nfs/dbraw/zinc/74/18/33/475741833.db2.gz FTGFWQLMXCULSV-AWEZNQCLSA-N -2 3 343.445 2.507 20 0 EFADHL COc1cc(C(=O)Nc2cc(C(C)=O)ccc2[O-])cc(OC)c1[O-] ZINC000358534610 475753010 /nfs/dbraw/zinc/75/30/10/475753010.db2.gz XHHHTPOPVCXFIJ-UHFFFAOYSA-N -2 3 331.324 2.570 20 0 EFADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C(=O)[O-])c1 ZINC000338341905 475805577 /nfs/dbraw/zinc/80/55/77/475805577.db2.gz LKXJSJCLXNEJCS-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL O=C(Nc1cc(F)ccc1[O-])c1nc[n-]c1C(=O)c1ccccc1 ZINC000361894728 475848853 /nfs/dbraw/zinc/84/88/53/475848853.db2.gz YDVFFCSTBZPOSY-UHFFFAOYSA-N -2 3 325.299 2.738 20 0 EFADHL O=C(Nc1cc(F)ccc1[O-])c1[n-]cnc1C(=O)c1ccccc1 ZINC000361894728 475848860 /nfs/dbraw/zinc/84/88/60/475848860.db2.gz YDVFFCSTBZPOSY-UHFFFAOYSA-N -2 3 325.299 2.738 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1cccc(Cl)c1[O-] ZINC000340316550 475939790 /nfs/dbraw/zinc/93/97/90/475939790.db2.gz INTITUATVKJADO-UHFFFAOYSA-N -2 3 325.777 2.824 20 0 EFADHL CCS[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000355477079 475970539 /nfs/dbraw/zinc/97/05/39/475970539.db2.gz YVQDQCYTFORCOD-WDEREUQCSA-N -2 3 349.499 2.789 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@@H]2CCc3ccccc32)c1 ZINC000355494851 475984215 /nfs/dbraw/zinc/98/42/15/475984215.db2.gz PYKXEWOSKHKQOX-CQSZACIVSA-N -2 3 349.383 2.798 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2CCC[C@@H](C)C2)c1 ZINC000355506293 475993064 /nfs/dbraw/zinc/99/30/64/475993064.db2.gz DFZMDIGGQUIWMI-KOLCDFICSA-N -2 3 329.393 2.689 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CCCCCC(=O)[O-])c(Cl)cc1F ZINC000340452455 476043158 /nfs/dbraw/zinc/04/31/58/476043158.db2.gz RODZMXYJHRDKJY-UHFFFAOYSA-N -2 3 337.800 2.711 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000336852198 476143702 /nfs/dbraw/zinc/14/37/02/476143702.db2.gz LOXLMNFERHVBRG-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1C(=O)[O-] ZINC000336865161 476148520 /nfs/dbraw/zinc/14/85/20/476148520.db2.gz CDXCLVFRLOODTI-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)c1 ZINC000336875358 476159978 /nfs/dbraw/zinc/15/99/78/476159978.db2.gz FSMNLUPPTBVQQA-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2F)cc1 ZINC000336875298 476160266 /nfs/dbraw/zinc/16/02/66/476160266.db2.gz FBJUCNNXZHJJPX-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)c(C)c1 ZINC000336876339 476161550 /nfs/dbraw/zinc/16/15/50/476161550.db2.gz DCTKHALRIXJISA-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(OC)cc2C)c1 ZINC000359079510 476171777 /nfs/dbraw/zinc/17/17/77/476171777.db2.gz GUGMYKZMFCDDGU-UHFFFAOYSA-N -2 3 341.360 2.658 20 0 EFADHL CC(=O)Nc1ccc([O-])c(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000350841785 476305828 /nfs/dbraw/zinc/30/58/28/476305828.db2.gz OFQGQPFZWSSRGC-UHFFFAOYSA-N -2 3 329.287 2.912 20 0 EFADHL Cc1nc(C)c(CC(=O)Nc2cc(Cl)cc(Cl)c2[O-])c(=O)[n-]1 ZINC000354414621 476647719 /nfs/dbraw/zinc/64/77/19/476647719.db2.gz NEOQDDDOEAQCFN-UHFFFAOYSA-N -2 3 342.182 2.993 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@H]1CC2CCC1CC2 ZINC000381489748 476738656 /nfs/dbraw/zinc/73/86/56/476738656.db2.gz HBFNJYRAYLVLKQ-ZUYNKMSQSA-N -2 3 343.470 2.939 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-]C[C@@H](C)C(C)C ZINC000387445944 476771281 /nfs/dbraw/zinc/77/12/81/476771281.db2.gz PRGFLGWXNJKTQS-SECBINFHSA-N -2 3 349.836 2.617 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)[O-])cc2)cc1C ZINC000391842173 476818351 /nfs/dbraw/zinc/81/83/51/476818351.db2.gz YGTANIDMCSBLMR-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL COc1cccc(C)c1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[n-]1 ZINC000453028828 477148780 /nfs/dbraw/zinc/14/87/80/477148780.db2.gz RASJJESLWKJBQX-VQHVLOKHSA-N -2 3 328.368 2.995 20 0 EFADHL COC(=O)c1ccc([O-])c(NC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000436505877 477498137 /nfs/dbraw/zinc/49/81/37/477498137.db2.gz PEIBDRMWPPDNGJ-UHFFFAOYSA-N -2 3 347.342 2.985 20 0 EFADHL O=C(Nc1ccc([O-])cc1F)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000436568944 477518871 /nfs/dbraw/zinc/51/88/71/477518871.db2.gz XVHXSOGNCDATMU-UHFFFAOYSA-N -2 3 331.278 2.814 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000436662677 477549818 /nfs/dbraw/zinc/54/98/18/477549818.db2.gz GYPFMYTVZQTAJM-UHFFFAOYSA-N -2 3 335.381 2.596 20 0 EFADHL O=C(Nc1cc(F)ccc1[O-])c1nn(-c2cccc(F)c2)cc1[O-] ZINC000436713887 477567059 /nfs/dbraw/zinc/56/70/59/477567059.db2.gz GPWIHHXNNAWVCM-UHFFFAOYSA-N -2 3 331.278 2.814 20 0 EFADHL O=C(Nc1cc(C(F)(F)F)ccc1[O-])C(=O)c1ccc([O-])cc1 ZINC000436933458 477640894 /nfs/dbraw/zinc/64/08/94/477640894.db2.gz CDWKSPJNEAQMDQ-UHFFFAOYSA-N -2 3 325.242 2.938 20 0 EFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000436998723 477659613 /nfs/dbraw/zinc/65/96/13/477659613.db2.gz YUHRDEFBJLGOBB-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL COc1ccc([N-]S(=O)(=O)C[C@H](OC)c2ccccc2)c([O-])c1 ZINC000451045134 477800721 /nfs/dbraw/zinc/80/07/21/477800721.db2.gz XBCBZXRYABJNJF-INIZCTEOSA-N -2 3 337.397 2.530 20 0 EFADHL COc1ccc([N-]S(=O)(=O)C[C@@H](OC)c2ccccc2)c([O-])c1 ZINC000451045135 477800808 /nfs/dbraw/zinc/80/08/08/477800808.db2.gz XBCBZXRYABJNJF-MRXNPFEDSA-N -2 3 337.397 2.530 20 0 EFADHL CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1 ZINC000421158179 477987767 /nfs/dbraw/zinc/98/77/67/477987767.db2.gz UAQCGSLSSYMXTH-NSHDSACASA-N -2 3 349.836 2.841 20 0 EFADHL Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)c1 ZINC000519537862 478231436 /nfs/dbraw/zinc/23/14/36/478231436.db2.gz AZKABGXTSOAOGK-UHFFFAOYSA-N -2 3 337.397 2.542 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)c(C(=O)[O-])c1 ZINC000537837548 478335247 /nfs/dbraw/zinc/33/52/47/478335247.db2.gz SNQVNOZWBKLGAU-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)c1F ZINC000571350025 478576432 /nfs/dbraw/zinc/57/64/32/478576432.db2.gz ZVTYVIODPCLPIF-NSHDSACASA-N -2 3 331.409 2.549 20 0 EFADHL O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1c[n-]nc1-c1ccccc1 ZINC000591830437 478645400 /nfs/dbraw/zinc/64/54/00/478645400.db2.gz OBUIRGOVUZBIDN-UHFFFAOYSA-N -2 3 347.334 2.672 20 0 EFADHL Cc1cccc(C(=O)[O-])c1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)O2 ZINC000592002894 478740410 /nfs/dbraw/zinc/74/04/10/478740410.db2.gz AKWSWLZODWCKNE-LLVKDONJSA-N -2 3 347.392 2.817 20 0 EFADHL C[C@@]1(C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)CCCc2ccccc21 ZINC000583319882 478821817 /nfs/dbraw/zinc/82/18/17/478821817.db2.gz NPULISBNCSHJHJ-KRWDZBQOSA-N -2 3 349.408 2.550 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1ccsc1C(=O)[O-])c1nc(C)cs1 ZINC000564919292 478860304 /nfs/dbraw/zinc/86/03/04/478860304.db2.gz KGHCFVSNJAQWHK-MRVPVSSYSA-N -2 3 346.455 2.641 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](Cc2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000583992108 478988463 /nfs/dbraw/zinc/98/84/63/478988463.db2.gz PUNUIMDNXUSQEP-OAHLLOKOSA-N -2 3 349.408 2.586 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2(c3ccccc3)CCCC2)o1 ZINC000565420061 479003513 /nfs/dbraw/zinc/00/35/13/479003513.db2.gz BNIBENHAUBWWDH-UHFFFAOYSA-N -2 3 335.381 2.726 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H](C)C1 ZINC000573840427 479156889 /nfs/dbraw/zinc/15/68/89/479156889.db2.gz XPXLGWOGAAMNCO-VHSXEESVSA-N -2 3 347.458 2.560 20 0 EFADHL CCOC(=O)c1ncc(NC(=O)c2c([O-])cc(Cl)cc2Cl)[n-]1 ZINC000618919369 479636416 /nfs/dbraw/zinc/63/64/16/479636416.db2.gz JLKBBEDNGLJACM-UHFFFAOYSA-N -2 3 344.154 2.851 20 0 EFADHL CCOC(=O)c1nc(NC(=O)c2c([O-])cc(Cl)cc2Cl)c[n-]1 ZINC000618919369 479636419 /nfs/dbraw/zinc/63/64/19/479636419.db2.gz JLKBBEDNGLJACM-UHFFFAOYSA-N -2 3 344.154 2.851 20 0 EFADHL CCCCOc1ccc(C(=O)Nc2cnc(C(=O)OCC)[n-]2)c([O-])c1 ZINC000619449765 479794406 /nfs/dbraw/zinc/79/44/06/479794406.db2.gz UNCLTGGQQKGEGC-UHFFFAOYSA-N -2 3 347.371 2.723 20 0 EFADHL CCCCOc1ccc(C(=O)Nc2c[n-]c(C(=O)OCC)n2)c([O-])c1 ZINC000619449765 479794412 /nfs/dbraw/zinc/79/44/12/479794412.db2.gz UNCLTGGQQKGEGC-UHFFFAOYSA-N -2 3 347.371 2.723 20 0 EFADHL CCO[C@H](CS(=O)(=O)[N-]c1cccc(Cl)c1C(=O)[O-])C1CC1 ZINC000629288572 480200417 /nfs/dbraw/zinc/20/04/17/480200417.db2.gz CLDUCSWLXBOOAU-GFCCVEGCSA-N -2 3 347.820 2.595 20 0 EFADHL C[C@H](CC(=O)[O-])c1ccc([N-]S(=O)(=O)[C@H]2COC(C)(C)C2)cc1 ZINC000629295240 480203536 /nfs/dbraw/zinc/20/35/36/480203536.db2.gz NPLAXPVUSSCCAE-BXUZGUMPSA-N -2 3 341.429 2.574 20 0 EFADHL COc1cc([N-]S(=O)(=O)CCC(C)(C)C)c(F)cc1C(=O)[O-] ZINC000629325393 480218593 /nfs/dbraw/zinc/21/85/93/480218593.db2.gz LFEDUEFCNZCMDW-UHFFFAOYSA-N -2 3 333.381 2.710 20 0 EFADHL Cc1cc(=O)[n-]c([C@H](C)N2CCC(c3ncc(C(=O)[O-])s3)CC2)n1 ZINC000629371245 480233399 /nfs/dbraw/zinc/23/33/99/480233399.db2.gz NEBCIUBGEPDYJB-JTQLQIEISA-N -2 3 348.428 2.586 20 0 EFADHL CCc1c(=O)n(-c2cn[n-]c(=O)c2Cl)[n-]c1-c1cccc(OC)c1 ZINC000634587353 480370270 /nfs/dbraw/zinc/37/02/70/480370270.db2.gz LTTNHLMXGNXTJC-LLVKDONJSA-N -2 3 346.774 2.621 20 0 EFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000644571798 480445398 /nfs/dbraw/zinc/44/53/98/480445398.db2.gz CZVAPFLKNDEALV-QPUJVOFHSA-N -2 3 337.800 2.503 20 0 EFADHL O=S(=O)([N-]c1cccc([O-])c1F)c1cnn(C2CCCC2)c1 ZINC000634790546 480526490 /nfs/dbraw/zinc/52/64/90/480526490.db2.gz LMYFBOHZBZVNOS-UHFFFAOYSA-N -2 3 325.365 2.644 20 0 EFADHL CC(C)Cc1nc(=NC(=O)CCCc2ccc([O-])c(F)c2)s[n-]1 ZINC000618349374 480630206 /nfs/dbraw/zinc/63/02/06/480630206.db2.gz UJEAZEJIWLMRLB-UHFFFAOYSA-N -2 3 337.420 2.965 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CCC2)o1 ZINC000645963912 480992817 /nfs/dbraw/zinc/99/28/17/480992817.db2.gz DTDLJTXZHVDIFF-OAHLLOKOSA-N -2 3 335.381 2.798 20 0 EFADHL COc1ccc([O-])c([N-]S(=O)(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)c1 ZINC000641686093 481008807 /nfs/dbraw/zinc/00/88/07/481008807.db2.gz QSRORRURPKKYHO-CZUORRHYSA-N -2 3 337.372 2.838 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000646001517 481016798 /nfs/dbraw/zinc/01/67/98/481016798.db2.gz PSRWXTDGVYHODK-CMPLNLGQSA-N -2 3 329.443 2.693 20 0 EFADHL Cc1ccccc1[C@@H]1C[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000650441530 481098365 /nfs/dbraw/zinc/09/83/65/481098365.db2.gz ZHBZTVDRCBGJSP-QWHCGFSZSA-N -2 3 337.422 2.589 20 0 EFADHL O=C(Nc1[nH][n-]c2cc(=O)ccc1-2)c1ccc(C(F)(F)F)cc1[O-] ZINC000647798204 481111990 /nfs/dbraw/zinc/11/19/90/481111990.db2.gz CUKONXIAIXCYOW-UHFFFAOYSA-N -2 3 337.257 3.245 20 0 EFADHL COc1cc(C)cc(C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)c1[O-] ZINC000669433950 481122484 /nfs/dbraw/zinc/12/24/84/481122484.db2.gz BXTBYQIRCQJQPA-ZDUSSCGKSA-N -2 3 341.363 2.928 20 0 EFADHL O=C([O-])C[C@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000650507054 481141625 /nfs/dbraw/zinc/14/16/25/481141625.db2.gz DKQDPOFURKNKNK-LLVKDONJSA-N -2 3 341.367 2.911 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)cc1 ZINC000647919083 481181656 /nfs/dbraw/zinc/18/16/56/481181656.db2.gz LKLWCQHRYAMSQI-UHFFFAOYSA-N -2 3 327.745 2.545 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1 ZINC000647919259 481182135 /nfs/dbraw/zinc/18/21/35/481182135.db2.gz SYYJAWPLHVOSDA-UHFFFAOYSA-N -2 3 329.761 2.561 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2c(O)cccc2Cl)c1 ZINC000647919319 481182259 /nfs/dbraw/zinc/18/22/59/481182259.db2.gz WZLBLQOVJIFHMV-UHFFFAOYSA-N -2 3 327.745 2.545 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1)C(C)C ZINC000647130257 481653190 /nfs/dbraw/zinc/65/31/90/481653190.db2.gz KQVAALLQCXFALK-IUODEOHRSA-N -2 3 343.445 2.678 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000663423022 482224689 /nfs/dbraw/zinc/22/46/89/482224689.db2.gz QOVXLEGGFJLYBC-NWDGAFQWSA-N -2 3 337.397 2.757 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@]2(C)CCCc3ccccc32)oc1C(=O)[O-] ZINC000663423486 482226289 /nfs/dbraw/zinc/22/62/89/482226289.db2.gz WXVMRMSXIDQKLJ-QGZVFWFLSA-N -2 3 349.408 2.816 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2CCC(C3CCC3)CC2)oc1C(=O)[O-] ZINC000663433003 482233559 /nfs/dbraw/zinc/23/35/59/482233559.db2.gz YFGLQUZOJQKYHB-UHFFFAOYSA-N -2 3 341.429 2.923 20 0 EFADHL COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)[N-][C@]1(C)CC1(C)C ZINC000663450409 482244067 /nfs/dbraw/zinc/24/40/67/482244067.db2.gz YULXZDXYNDEGJY-CQSZACIVSA-N -2 3 347.820 2.514 20 0 EFADHL Cc1ccc(C(=O)N2C[C@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000262960773 526138965 /nfs/dbraw/zinc/13/89/65/526138965.db2.gz RRZJSTVZFDNDSZ-CVEARBPZSA-N -2 3 325.364 2.641 20 0 EFADHL Cc1sc2[n-]c(COc3ccccc3C(=O)[O-])nc(=O)c2c1C ZINC000193307207 526893842 /nfs/dbraw/zinc/89/38/42/526893842.db2.gz PBHVUEBLLDTCKX-UHFFFAOYSA-N -2 3 330.365 2.879 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2cccc(CC(=O)[O-])c2)c(C)c1 ZINC000360238683 535402252 /nfs/dbraw/zinc/40/22/52/535402252.db2.gz OOHORZMWMIXBFL-UHFFFAOYSA-N -2 3 349.408 2.822 20 0 EFADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1Cl ZINC000349114892 536596162 /nfs/dbraw/zinc/59/61/62/536596162.db2.gz VTGVXOIDQBTVAB-GQCTYLIASA-N -2 3 334.759 2.950 20 0 EFADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)c(Cl)c1 ZINC000349109600 536613001 /nfs/dbraw/zinc/61/30/01/536613001.db2.gz NKRZJYRCXVHEOD-XQRVVYSFSA-N -2 3 334.759 2.950 20 0 EFADHL CCn1cc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1C(=O)[O-] ZINC000315373181 545811510 /nfs/dbraw/zinc/81/15/10/545811510.db2.gz FCALTPMWWHMBNR-UHFFFAOYSA-N -2 3 346.767 2.800 20 0 EFADHL CCn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC000315589533 545811974 /nfs/dbraw/zinc/81/19/74/545811974.db2.gz RSRXMQZKCMITPS-UHFFFAOYSA-N -2 3 346.767 2.800 20 0 EFADHL CCn1cc(S(=O)(=O)[N-]c2cc(C)ccc2Cl)cc1C(=O)[O-] ZINC000318071442 545812907 /nfs/dbraw/zinc/81/29/07/545812907.db2.gz HYZXGNGOKZEBMN-UHFFFAOYSA-N -2 3 342.804 2.969 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2cc(C)cc(C(=O)[O-])c2)cc1 ZINC000350481812 546026850 /nfs/dbraw/zinc/02/68/50/546026850.db2.gz RXAQNSFGLNYUDY-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL C[C@@H]1CCCN1C(=O)c1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000436928518 546232830 /nfs/dbraw/zinc/23/28/30/546232830.db2.gz RVNUDRWFQDKBMV-GFCCVEGCSA-N -2 3 349.390 2.920 20 0 EFADHL CC(C)[C@H](CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000655565361 546486061 /nfs/dbraw/zinc/48/60/61/546486061.db2.gz LTINCFJBRREQEU-QMMMGPOBSA-N -2 3 341.820 2.878 20 0 EFADHL C[C@H](CC(F)(F)F)CS(=O)(=O)[N-]c1ccc(C(=O)[O-])cc1F ZINC000656509995 546825362 /nfs/dbraw/zinc/82/53/62/546825362.db2.gz CDALPZUTJDNUTL-SSDOTTSWSA-N -2 3 343.298 2.854 20 0 EFADHL CCc1ccc([O-])c([N-]S(=O)(=O)C[C@H](OC)C2CCCC2)c1 ZINC000656624078 546867020 /nfs/dbraw/zinc/86/70/20/546867020.db2.gz JMIARPICXHCABT-INIZCTEOSA-N -2 3 327.446 2.902 20 0 EFADHL COc1ccc([N-]S(=O)(=O)C[C@H](OC)C2CCCCC2)c([O-])c1 ZINC000656629421 546869280 /nfs/dbraw/zinc/86/92/80/546869280.db2.gz VRYSFXWNDZJDQE-INIZCTEOSA-N -2 3 343.445 2.738 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]C[C@H]2CCCc3ccc(C(=O)[O-])cc32)o1 ZINC000656720199 546900471 /nfs/dbraw/zinc/90/04/71/546900471.db2.gz XBIXKELGAGACJO-CQSZACIVSA-N -2 3 349.408 2.685 20 0 EFADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000657142269 547043335 /nfs/dbraw/zinc/04/33/35/547043335.db2.gz CLQRYLUOXZBOHJ-RNCFNFMXSA-N -2 3 347.383 2.523 20 0 EFADHL O=C([O-])c1cnc(C=Cc2cc(Br)ccc2F)[n-]c1=O ZINC000670369872 547474214 /nfs/dbraw/zinc/47/42/14/547474214.db2.gz HJEDYOFHSXELRR-RJRFIUFISA-N -2 3 339.120 2.952 20 0 EFADHL O=C([O-])c1cnc(C=Cc2csc(Br)c2)[n-]c1=O ZINC000670370190 547474332 /nfs/dbraw/zinc/47/43/32/547474332.db2.gz LUVBLQPZDFQMBM-UPHRSURJSA-N -2 3 327.159 2.875 20 0 EFADHL CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761238186 576134691 /nfs/dbraw/zinc/13/46/91/576134691.db2.gz LJCOBJZADWMHDY-SECBINFHSA-N -2 3 335.372 2.766 20 0 EFADHL CC[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761264119 576137269 /nfs/dbraw/zinc/13/72/69/576137269.db2.gz UDTABKIGFYMABX-RNCFNFMXSA-N -2 3 347.383 2.910 20 0 EFADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1O ZINC000762456603 576303951 /nfs/dbraw/zinc/30/39/51/576303951.db2.gz QNSYZGVLOMZBOI-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)ccc1Cl ZINC000768055455 577251799 /nfs/dbraw/zinc/25/17/99/577251799.db2.gz KTDDDOBHFZFKQW-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL O=C([O-])[C@@H]1CCCCN1Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000738535546 597434042 /nfs/dbraw/zinc/43/40/42/597434042.db2.gz QPCMRVVGOZLCCP-NSHDSACASA-N -2 3 327.340 2.521 20 0 EFADHL O=C([O-])CCCCSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000738574659 597745863 /nfs/dbraw/zinc/74/58/63/597745863.db2.gz USCOUXRIEZPMQM-UHFFFAOYSA-N -2 3 344.396 2.868 20 0 EFADHL Cc1cc(=O)[n-]c(-c2ccc(NC(=O)c3ccc(C(=O)[O-])cc3)cc2)n1 ZINC000820949393 598155095 /nfs/dbraw/zinc/15/50/95/598155095.db2.gz WBKWXXNDYNPDJY-UHFFFAOYSA-N -2 3 349.346 2.696 20 0 EFADHL O=C([O-])CCCNC(=O)c1cc(CCc2ccccc2)ccc1[O-] ZINC000739677766 599738084 /nfs/dbraw/zinc/73/80/84/599738084.db2.gz NLXFJOADYOUPRV-UHFFFAOYSA-N -2 3 327.380 2.772 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCc3cc(Cl)ccc32)o1 ZINC000740175301 599775125 /nfs/dbraw/zinc/77/51/25/599775125.db2.gz MPVKGISHXNELSE-NSHDSACASA-N -2 3 341.772 2.597 20 0 EFADHL CC(C)CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000736427807 599777680 /nfs/dbraw/zinc/77/76/80/599777680.db2.gz UXIHWWDPRFSDSX-VXGBXAGGSA-N -2 3 329.418 2.861 20 0 EFADHL O=C([O-])c1ccc2c(c1)CN(C(=O)c1cc(=O)c3ccccc3[n-]1)C2 ZINC000327090217 600073022 /nfs/dbraw/zinc/07/30/22/600073022.db2.gz VKLDFBVTZDJENI-UHFFFAOYSA-N -2 3 334.331 2.795 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cc(F)ccc2C(=O)[O-])c1 ZINC000738603599 600092869 /nfs/dbraw/zinc/09/28/69/600092869.db2.gz MSXXGVWUUURJRK-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2cccc(C)c2C(=O)[O-])ccc1N(C)C ZINC000738463415 600105683 /nfs/dbraw/zinc/10/56/83/600105683.db2.gz ATMBMKIHEGNCBQ-UHFFFAOYSA-N -2 3 348.424 2.868 20 0 EFADHL O=C([O-])c1ccoc1CO[N-]C(=O)Cc1cccc2ccccc21 ZINC000739346524 600428507 /nfs/dbraw/zinc/42/85/07/600428507.db2.gz YYVFDEIAKUDGST-UHFFFAOYSA-N -2 3 325.320 2.922 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2ccc(C(=O)[O-])s2)c([O-])c1 ZINC000737155129 600578607 /nfs/dbraw/zinc/57/86/07/600578607.db2.gz JJEDATHNEFXWFV-UHFFFAOYSA-N -2 3 335.337 2.581 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)c(=O)[n-]1 ZINC000325415818 600624296 /nfs/dbraw/zinc/62/42/96/600624296.db2.gz MGROROWFBXFPQO-UHFFFAOYSA-N -2 3 349.774 2.722 20 0 EFADHL O=C([O-])[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C1 ZINC000819271212 601187852 /nfs/dbraw/zinc/18/78/52/601187852.db2.gz SEQGBJDAAYKJKY-GFCCVEGCSA-N -2 3 327.336 2.731 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H]2C[C@@H]2C2CCCCC2)cc1C(=O)[O-] ZINC000833028409 601223483 /nfs/dbraw/zinc/22/34/83/601223483.db2.gz NKQUTLYNHKZJGC-OLZOCXBDSA-N -2 3 327.402 2.533 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CCC2CCCCC2)c1F ZINC000319946124 601229813 /nfs/dbraw/zinc/22/98/13/601229813.db2.gz HCTPMZSMBQDLOZ-UHFFFAOYSA-N -2 3 347.383 2.912 20 0 EFADHL C[C@@H]1CCC[C@@H](C)C1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000828234034 601236826 /nfs/dbraw/zinc/23/68/26/601236826.db2.gz UHIHOSXSJDWZRH-RKDXNWHRSA-N -2 3 347.383 2.766 20 0 EFADHL C[C@H]1C[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C[C@@H](C)C1 ZINC000320788078 601237585 /nfs/dbraw/zinc/23/75/85/601237585.db2.gz SUECWTXFQZKGIY-MYJAWHEDSA-N -2 3 347.383 2.766 20 0 EFADHL CCc1cccc(S(=O)(=O)[N-]c2ccc(OCC(=O)[O-])cc2)c1 ZINC000830270142 601249847 /nfs/dbraw/zinc/24/98/47/601249847.db2.gz MOKLBIDUDPUZSZ-UHFFFAOYSA-N -2 3 335.381 2.513 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000833184317 601587275 /nfs/dbraw/zinc/58/72/75/601587275.db2.gz ADPHHRDWGDEMTP-DTWKUNHWSA-N -2 3 342.189 2.984 20 0 EFADHL Cc1cc(C(=O)NCc2ccc([O-])c(F)c2)cc(C)c1OCC(=O)[O-] ZINC000832864326 601757771 /nfs/dbraw/zinc/75/77/71/601757771.db2.gz WIEUQKFMFRUBGM-UHFFFAOYSA-N -2 3 347.342 2.542 20 0 EFADHL O=C([O-])[C@]1(F)CCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000833354427 601759618 /nfs/dbraw/zinc/75/96/18/601759618.db2.gz UTZMAHSJWYFCII-IBGZPJMESA-N -2 3 343.354 2.622 20 0 EFADHL C[C@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@H]1C(=O)[O-] ZINC000828386072 601801114 /nfs/dbraw/zinc/80/11/14/601801114.db2.gz KZAGUZFNJHUJNW-BLLLJJGKSA-N -2 3 341.363 2.977 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)ccn1 ZINC000074932203 601843466 /nfs/dbraw/zinc/84/34/66/601843466.db2.gz AAQAFWDHXFVBOB-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000833295490 601855640 /nfs/dbraw/zinc/85/56/40/601855640.db2.gz YNMNUAIPSYNJOQ-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL O=C([O-])c1c(F)cccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000833295456 601860523 /nfs/dbraw/zinc/86/05/23/601860523.db2.gz XMJHQNVUVWEONA-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cccc(C)c2-c2nn[n-]n2)cc1C ZINC000826291680 607532538 /nfs/dbraw/zinc/53/25/38/607532538.db2.gz QNLXHWJGWVPROB-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL CCc1cc(=O)[n-]c(CSCCOc2cccc(C(=O)[O-])c2)n1 ZINC000830224064 601957260 /nfs/dbraw/zinc/95/72/60/601957260.db2.gz FZXKGKPFTKOEGY-UHFFFAOYSA-N -2 3 334.397 2.755 20 0 EFADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C ZINC000828679472 602162463 /nfs/dbraw/zinc/16/24/63/602162463.db2.gz ZZULRSRMEFNROH-HNNXBMFYSA-N -2 3 343.376 2.802 20 0 EFADHL Cc1sc2[n-]c([C@H](C)OC(=O)[C@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000833036567 602280379 /nfs/dbraw/zinc/28/03/79/602280379.db2.gz JBNBRWKDFFZGSO-SVRRBLITSA-N -2 3 338.385 2.729 20 0 EFADHL O=C([O-])c1ccc(F)c(COC(=O)c2cc(-c3ccco3)[n-]n2)c1 ZINC000833780773 605811235 /nfs/dbraw/zinc/81/12/35/605811235.db2.gz DFZCEYLSSKLKJB-UHFFFAOYSA-N -2 3 330.271 2.864 20 0 EFADHL O=C([O-])c1ccc(F)c(COC(=O)c2cc(-c3ccco3)n[n-]2)c1 ZINC000833780773 605811237 /nfs/dbraw/zinc/81/12/37/605811237.db2.gz DFZCEYLSSKLKJB-UHFFFAOYSA-N -2 3 330.271 2.864 20 0 EFADHL O=C([N-]NC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(Cl)cc1F ZINC000186847888 1267763725 /nfs/dbraw/zinc/76/37/25/1267763725.db2.gz IPJZXHGODOVJBV-UHFFFAOYSA-N -2 3 344.676 2.538 20 0 EFADHL O=C([O-])CN(C(=O)c1cc([O-])cc(Br)c1)C1CCCC1 ZINC000700690722 1269413313 /nfs/dbraw/zinc/41/33/13/1269413313.db2.gz XWMLXPCSFDMMNT-UHFFFAOYSA-N -2 3 342.189 2.624 20 0 EFADHL CCC(CC)(NC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700707644 1269441306 /nfs/dbraw/zinc/44/13/06/1269441306.db2.gz WXNJQIRLUCKIEH-UHFFFAOYSA-N -2 3 330.178 2.528 20 0 EFADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000785724600 1275156175 /nfs/dbraw/zinc/15/61/75/1275156175.db2.gz FINXVSGEKKQXRG-UWVGGRQHSA-N -2 3 347.383 2.910 20 0 EFADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC000785724602 1275156818 /nfs/dbraw/zinc/15/68/18/1275156818.db2.gz FINXVSGEKKQXRG-ZJUUUORDSA-N -2 3 347.383 2.910 20 0 EFADHL CC[C@H](CC(F)(F)F)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000871941470 1287372097 /nfs/dbraw/zinc/37/20/97/1287372097.db2.gz TYUSDTJHUMEWNZ-SSDOTTSWSA-N -2 3 345.364 2.764 20 0 EFADHL CCN(C)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)cc1 ZINC001185918250 1290792923 /nfs/dbraw/zinc/79/29/23/1290792923.db2.gz OJMSYKUXPLHKQA-UHFFFAOYSA-N -2 3 348.424 2.950 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2F)ccc1F ZINC001186144516 1290877702 /nfs/dbraw/zinc/87/77/02/1290877702.db2.gz XWFPSJQDPQJLDU-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL Cc1ccc(C(C)C)c(O)c1C(=O)NCCCCP(=O)([O-])[O-] ZINC001188188362 1291326568 /nfs/dbraw/zinc/32/65/68/1291326568.db2.gz XIWBEXMDWVEGKD-UHFFFAOYSA-N -2 3 329.333 2.512 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)nc2F)ccc1Cl ZINC001188279855 1291364077 /nfs/dbraw/zinc/36/40/77/1291364077.db2.gz SARYQDMNGOSKRJ-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL CC(=O)c1cccc([N-]S(=O)(=O)Cc2ccc(F)cc2F)c1[O-] ZINC001189827713 1291886347 /nfs/dbraw/zinc/88/63/47/1291886347.db2.gz WNXAJVYRNOLSPF-UHFFFAOYSA-N -2 3 341.335 2.815 20 0 EFADHL COc1cc(C(=O)Nc2cc(=O)[n-]c(SC)n2)cc(Cl)c1[O-] ZINC001191129627 1292477187 /nfs/dbraw/zinc/47/71/87/1292477187.db2.gz RAZKPAOUFXQPMC-UHFFFAOYSA-N -2 3 341.776 2.524 20 0 EFADHL C=Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC001192729132 1293001715 /nfs/dbraw/zinc/00/17/15/1293001715.db2.gz OWMDHTPEZDLIFX-UHFFFAOYSA-N -2 3 333.365 2.594 20 0 EFADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1C ZINC001192730050 1293001868 /nfs/dbraw/zinc/00/18/68/1293001868.db2.gz ZIFWIYIEACTIDB-UHFFFAOYSA-N -2 3 349.408 2.876 20 0 EFADHL CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1[O-] ZINC001193253862 1293216269 /nfs/dbraw/zinc/21/62/69/1293216269.db2.gz BXFOUIJHKOYGQG-UHFFFAOYSA-N -2 3 348.424 2.675 20 0 EFADHL O=C(c1ccccc1)[C@@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccc1 ZINC001233934346 1313020341 /nfs/dbraw/zinc/02/03/41/1313020341.db2.gz KDQFMGCPQJTAID-KRWDZBQOSA-N -2 3 346.346 2.649 20 0 EFADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccc(Br)cc1 ZINC001233935677 1313020390 /nfs/dbraw/zinc/02/03/90/1313020390.db2.gz UQYPAUOBMHBDNX-ZETCQYMHSA-N -2 3 335.161 2.549 20 0 EFADHL C[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1cccc(Br)c1 ZINC001233938800 1313022169 /nfs/dbraw/zinc/02/21/69/1313022169.db2.gz FGKUJBVIDRNTMA-ZETCQYMHSA-N -2 3 335.161 2.549 20 0 EFADHL O=S(=O)([N-]c1cc([O-])cc(Cl)c1)c1cccc2nccnc21 ZINC001194981011 1293765899 /nfs/dbraw/zinc/76/58/99/1293765899.db2.gz MBVHQSODFBPCBK-UHFFFAOYSA-N -2 3 335.772 2.790 20 0 EFADHL C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195244501 1293859279 /nfs/dbraw/zinc/85/92/79/1293859279.db2.gz IFKCWEVXURFTPO-NXEZZACHSA-N -2 3 347.383 2.768 20 0 EFADHL CCC1CCC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)CC1 ZINC001195248362 1293861151 /nfs/dbraw/zinc/86/11/51/1293861151.db2.gz HUJQHAVGGLZCLZ-UHFFFAOYSA-N -2 3 347.383 2.910 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2CC23CCCCC3)c(F)cc1F ZINC001195259554 1293865206 /nfs/dbraw/zinc/86/52/06/1293865206.db2.gz GBJXTUFWCZXTGP-CYBMUJFWSA-N -2 3 345.367 2.664 20 0 EFADHL CC(C)(CC1CC1)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195263960 1293866107 /nfs/dbraw/zinc/86/61/07/1293866107.db2.gz OXYZMFLHTICFOZ-UHFFFAOYSA-N -2 3 333.356 2.520 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)CC1CC1 ZINC001195264278 1293866524 /nfs/dbraw/zinc/86/65/24/1293866524.db2.gz UWTBYCCHQAGOOR-UHFFFAOYSA-N -2 3 347.383 2.768 20 0 EFADHL CC1(C)CC[C@H](C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)C1 ZINC001195263877 1293866626 /nfs/dbraw/zinc/86/66/26/1293866626.db2.gz MULPHCOLIHQXIK-VIFPVBQESA-N -2 3 347.383 2.768 20 0 EFADHL O=C([N-]c1noc2cnccc21)c1c([O-])c(F)c(F)c(F)c1F ZINC001195291253 1293881495 /nfs/dbraw/zinc/88/14/95/1293881495.db2.gz SYJOCWZFSXINME-UHFFFAOYSA-N -2 3 327.193 2.737 20 0 EFADHL COc1cc([N-]S(=O)(=O)c2ccc3nccnc3c2)ccc1[S-] ZINC001198154247 1294914697 /nfs/dbraw/zinc/91/46/97/1294914697.db2.gz XVMQLHODDDKNLV-UHFFFAOYSA-N -2 3 347.421 2.728 20 0 EFADHL Cc1cnc(Cl)c([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c1 ZINC001198739717 1295213531 /nfs/dbraw/zinc/21/35/31/1295213531.db2.gz XDTNTBUQLUPLRR-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(Cl)cnc1Cl ZINC001198739402 1295214869 /nfs/dbraw/zinc/21/48/69/1295214869.db2.gz QUNDWTNFKCMNOH-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1F ZINC001198772653 1295244315 /nfs/dbraw/zinc/24/43/15/1295244315.db2.gz NKMZJDTZVBFKSC-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc2occc2c1 ZINC001198870729 1295311240 /nfs/dbraw/zinc/31/12/40/1295311240.db2.gz SECYDTLYCLJJJX-UHFFFAOYSA-N -2 3 347.348 2.726 20 0 EFADHL O=S(=O)([N-]c1ccccn1)c1ccc(-c2ccc([O-])cc2F)nc1 ZINC001206044665 1313396495 /nfs/dbraw/zinc/39/64/95/1313396495.db2.gz RJAJMJZFASXTOV-UHFFFAOYSA-N -2 3 345.355 2.789 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccc([O-])c(F)c3)nc2)no1 ZINC001240783508 1314071417 /nfs/dbraw/zinc/07/14/17/1314071417.db2.gz VGUFFVKMQIFNJU-UHFFFAOYSA-N -2 3 349.343 2.691 20 0 EFADHL O=S(=O)([N-]c1ccccn1)c1ccc(-c2ccc([O-])c(F)c2)nc1 ZINC001240783941 1314071444 /nfs/dbraw/zinc/07/14/44/1314071444.db2.gz ZXTXZWRMKGWBKF-UHFFFAOYSA-N -2 3 345.355 2.789 20 0 EFADHL Cc1ccc(N)cc1S(=O)(=O)[N-]c1ccc(Cl)c([O-])c1F ZINC001214798992 1314738799 /nfs/dbraw/zinc/73/87/99/1314738799.db2.gz FWVFPFZQHUGWLZ-UHFFFAOYSA-N -2 3 330.768 2.876 20 0 EFADHL COc1ccc(-c2nnn[n-]2)cc1-c1ccc(C(=O)[O-])c(F)c1F ZINC001243516276 1314293208 /nfs/dbraw/zinc/29/32/08/1314293208.db2.gz TVAVQOFNHOWGMP-UHFFFAOYSA-N -2 3 332.266 2.519 20 0 EFADHL COc1ccc(-c2nn[n-]n2)cc1-c1ccc(C(=O)[O-])c(F)c1F ZINC001243516276 1314293209 /nfs/dbraw/zinc/29/32/09/1314293209.db2.gz TVAVQOFNHOWGMP-UHFFFAOYSA-N -2 3 332.266 2.519 20 0 EFADHL CCOc1ccc(C(=O)[O-])cc1-c1ccc(-c2nnn[n-]2)c(F)c1 ZINC001244419422 1314378638 /nfs/dbraw/zinc/37/86/38/1314378638.db2.gz ASDJZRDZRCZUFI-UHFFFAOYSA-N -2 3 328.303 2.770 20 0 EFADHL CCOc1ccc(C(=O)[O-])cc1-c1ccc(-c2nn[n-]n2)c(F)c1 ZINC001244419422 1314378641 /nfs/dbraw/zinc/37/86/41/1314378641.db2.gz ASDJZRDZRCZUFI-UHFFFAOYSA-N -2 3 328.303 2.770 20 0 EFADHL CCOC(Cc1c(=O)[n-]cnc1Nc1ccccc1C(=O)[O-])OCC ZINC001210966133 1314417646 /nfs/dbraw/zinc/41/76/46/1314417646.db2.gz IOGULTNRKUODKK-UHFFFAOYSA-N -2 3 347.371 2.566 20 0 EFADHL CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H]2OCCCCP(=O)([O-])[O-] ZINC001225019189 1311465082 /nfs/dbraw/zinc/46/50/82/1311465082.db2.gz AJFWOOULXJRYRI-YNEHKIRRSA-N -2 3 349.364 2.501 20 0 EFADHL COc1cccc2c1[C@H](Oc1nc3ncnc-3c([S-])[n-]1)CCO2 ZINC001226786326 1311722834 /nfs/dbraw/zinc/72/28/34/1311722834.db2.gz PQCWSUDBLIYQQI-SNVBAGLBSA-N -2 3 330.369 2.553 20 0 EFADHL COc1ccc(OC)c([C@@H](C)Oc2nc3ncnc-3c([S-])[n-]2)c1 ZINC001226786721 1311723420 /nfs/dbraw/zinc/72/34/20/1311723420.db2.gz RMJULMGBCRBHPP-MRVPVSSYSA-N -2 3 332.385 2.799 20 0 EFADHL C[C@H](Oc1[n-]c(=O)nc2nc(Br)[n-]c21)c1ccccc1 ZINC001227594339 1311825958 /nfs/dbraw/zinc/82/59/58/1311825958.db2.gz MOXRDKYPJIFKPN-ZETCQYMHSA-N -2 3 335.161 2.961 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@H]1CCCOC1 ZINC001228119795 1311902780 /nfs/dbraw/zinc/90/27/80/1311902780.db2.gz LZBRXFWCVOXBST-ZDUSSCGKSA-N -2 3 330.336 2.592 20 0 EFADHL C[C@H]1COCC[C@@H]1Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121281 1311903004 /nfs/dbraw/zinc/90/30/04/1311903004.db2.gz BKDKYAZYDIPTJT-GTNSWQLSSA-N -2 3 344.363 2.838 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@@H]1CCOC[C@H]1F ZINC001228123087 1311903301 /nfs/dbraw/zinc/90/33/01/1311903301.db2.gz RBZXYSWGERYBSM-GDBMZVCRSA-N -2 3 348.326 2.540 20 0 EFADHL O=C(c1ccc(O)cc1[O-])c1ccc([O-])cc1O[C@H]1CCOC[C@H]1F ZINC001228123092 1311903373 /nfs/dbraw/zinc/90/33/73/1311903373.db2.gz RBZXYSWGERYBSM-ZBFHGGJFSA-N -2 3 348.326 2.540 20 0 EFADHL O=C([O-])c1ccc(Nc2cc(=O)[n-]c(=S)[nH]2)cc1C(F)(F)F ZINC001211478972 1314507789 /nfs/dbraw/zinc/50/77/89/1314507789.db2.gz SJKLCQLAAYZZHF-UHFFFAOYSA-N -2 3 331.275 2.932 20 0 EFADHL Nc1cccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])c(Cl)cc2F)c1 ZINC001214745278 1314734234 /nfs/dbraw/zinc/73/42/34/1314734234.db2.gz IHSRJDBHYUXYHK-UHFFFAOYSA-N -2 3 344.751 2.560 20 0 EFADHL Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc(C)c(C(=O)[O-])c(C)c1 ZINC001216311953 1314939951 /nfs/dbraw/zinc/93/99/51/1314939951.db2.gz WJDHRAYWMYUMKB-UHFFFAOYSA-N -2 3 334.397 2.693 20 0 EFADHL Cc1cc(C)c(NC(=S)NCCCCP(=O)([O-])[O-])c(C)c1 ZINC001249740601 1315128353 /nfs/dbraw/zinc/12/83/53/1315128353.db2.gz ZCEUJADMYSVDSJ-UHFFFAOYSA-N -2 3 330.390 2.856 20 0 EFADHL Cc1ccc(N)cc1S(=O)(=O)[N-]c1cc([O-])c(F)c(F)c1F ZINC001249961790 1315159787 /nfs/dbraw/zinc/15/97/87/1315159787.db2.gz GCKYJXGCQAZAPW-UHFFFAOYSA-N -2 3 332.303 2.501 20 0 EFADHL C[C@@H]1CC[C@H](C)[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259226492 1316221909 /nfs/dbraw/zinc/22/19/09/1316221909.db2.gz UZHCTFXDUAPHMB-BWPRHRIFSA-N -2 3 349.811 2.890 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@@H]2C[C@@H]3CC[C@H]2C3)c(F)cc1Cl ZINC001259226569 1316222020 /nfs/dbraw/zinc/22/20/20/1316222020.db2.gz WQBZOOXKGYUHHU-RGNHYFCHSA-N -2 3 347.795 2.644 20 0 EFADHL CC(=O)c1cccc([O-])c1[N-]S(=O)(=O)CCc1ccc(F)cc1 ZINC001259761043 1316273932 /nfs/dbraw/zinc/27/39/32/1316273932.db2.gz IFTUYOSLEMQUJF-UHFFFAOYSA-N -2 3 337.372 2.718 20 0 EFADHL COc1ccc(CS(=O)(=O)[N-]c2ccc(Cl)cc2[O-])cc1 ZINC001259899200 1316294927 /nfs/dbraw/zinc/29/49/27/1316294927.db2.gz NPAZFPLSDHHIHZ-UHFFFAOYSA-N -2 3 327.789 2.996 20 0 EFADHL O=S(=O)([N-]c1ncc([O-])cc1Cl)c1cnc2ccccc2c1 ZINC001260005793 1316305372 /nfs/dbraw/zinc/30/53/72/1316305372.db2.gz NBDSJLWZOULTEA-UHFFFAOYSA-N -2 3 335.772 2.790 20 0 EFADHL CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)ccn1 ZINC001260222251 1316324119 /nfs/dbraw/zinc/32/41/19/1316324119.db2.gz SOZOBCMRXWYARQ-UHFFFAOYSA-N -2 3 334.397 2.878 20 0 EFADHL COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ncc([O-])cc1Cl ZINC001260766541 1316366295 /nfs/dbraw/zinc/36/62/95/1316366295.db2.gz CELFRBLJGALVQA-UHFFFAOYSA-N -2 3 342.804 2.867 20 0 EFADHL CSc1nc(CNC(=O)c2ccc3ccccc3c2[O-])cc(=O)[n-]1 ZINC001557229900 1415113821 /nfs/dbraw/zinc/11/38/21/1415113821.db2.gz BXUHAEPZAHSCRM-UHFFFAOYSA-N -2 3 341.392 2.693 20 0 EFADHL O=C([N-]c1nccs1)N(Cc1ccc(-c2nn[n-]n2)cc1)C1CC1 ZINC000738207390 1429593495 /nfs/dbraw/zinc/59/34/95/1429593495.db2.gz HTNHOABPMOFHQO-UHFFFAOYSA-N -2 3 341.400 2.520 20 0 EFADHL CC(C)c1ccccc1S(=O)(=O)[N-]c1cccc(-c2nnn[n-]2)c1 ZINC000345680268 1423373068 /nfs/dbraw/zinc/37/30/68/1423373068.db2.gz ZLUWTNLPJHMBQR-UHFFFAOYSA-N -2 3 343.412 2.791 20 0 EFADHL CCc1cc(=O)[n-]c(CS[C@H](C)c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000821476102 1443910405 /nfs/dbraw/zinc/91/04/05/1443910405.db2.gz HRLDWMBJLLCTAC-SNVBAGLBSA-N -2 3 342.428 2.919 20 0 EFADHL CCc1cc(=O)[n-]c(CS[C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821476102 1443910408 /nfs/dbraw/zinc/91/04/08/1443910408.db2.gz HRLDWMBJLLCTAC-SNVBAGLBSA-N -2 3 342.428 2.919 20 0 EFADHL O=C(OCc1ccccc1-c1nn[n-]n1)c1cc(F)cc(Cl)c1[O-] ZINC000823430903 1447106336 /nfs/dbraw/zinc/10/63/36/1447106336.db2.gz LHQWLFISAZAQKE-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(OCc1ccccc1-c1nnn[n-]1)c1cc(F)cc(Cl)c1[O-] ZINC000823430903 1447106345 /nfs/dbraw/zinc/10/63/45/1447106345.db2.gz LHQWLFISAZAQKE-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C([N-]c1ncc(-c2nnn[n-]2)s1)C1(c2ccc(Cl)cc2)CC1 ZINC000823380243 1449359972 /nfs/dbraw/zinc/35/99/72/1449359972.db2.gz SXPIZBIHYUNMJD-UHFFFAOYSA-N -2 3 346.803 2.647 20 0 EFADHL C[C@@]1(C(=O)[N-]c2ncc(-c3nnn[n-]3)s2)CCCc2ccccc21 ZINC000820577410 1449932157 /nfs/dbraw/zinc/93/21/57/1449932157.db2.gz PTBOJROAZJXPCN-MRXNPFEDSA-N -2 3 340.412 2.556 20 0 EFADHL O=C(CCc1ccc(-c2nnn[n-]2)cc1)[N-]c1ncc(Cl)s1 ZINC000737855058 1450141616 /nfs/dbraw/zinc/14/16/16/1450141616.db2.gz YNDLZQDJFGDVCT-UHFFFAOYSA-N -2 3 334.792 2.548 20 0 EFADHL O=C(CCc1ccc(-c2nn[n-]n2)cc1)[N-]c1ncc(Cl)s1 ZINC000737855058 1450141617 /nfs/dbraw/zinc/14/16/17/1450141617.db2.gz YNDLZQDJFGDVCT-UHFFFAOYSA-N -2 3 334.792 2.548 20 0 EFADHL O=C(c1ccc([O-])cc1)C1CCN(C(=O)c2cccc(F)c2[O-])CC1 ZINC000934705454 715853629 /nfs/dbraw/zinc/85/36/29/715853629.db2.gz POILGBVXMJDMCK-UHFFFAOYSA-N -2 3 343.354 2.972 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2ccc(CCCl)cc2)cc1 ZINC000055548565 717743017 /nfs/dbraw/zinc/74/30/17/717743017.db2.gz QCQJFWQTCDSUSR-UHFFFAOYSA-N -2 3 339.800 2.967 20 0 EFADHL O=C([O-])[C@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1cccs1 ZINC000909633438 724678439 /nfs/dbraw/zinc/67/84/39/724678439.db2.gz PEKQWQHNOMACQL-OAHLLOKOSA-N -2 3 337.372 2.858 20 0 EFADHL O=C([O-])c1cccc(CCNC(=O)CCCc2ccc([O-])c(F)c2)c1 ZINC000909462320 723425618 /nfs/dbraw/zinc/42/56/18/723425618.db2.gz CABZFJRRMDFUKB-UHFFFAOYSA-N -2 3 345.370 2.911 20 0 EFADHL O=C([O-])CCCN(Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000909475336 723471721 /nfs/dbraw/zinc/47/17/21/723471721.db2.gz NDFQDRWRQKBRFG-UHFFFAOYSA-N -2 3 345.370 2.967 20 0 EFADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000163456484 726400863 /nfs/dbraw/zinc/40/08/63/726400863.db2.gz KSLVJYRDYREGTN-UHFFFAOYSA-N -2 3 343.730 2.948 20 0 EFADHL CC(C)(F)CC[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000907039239 726852435 /nfs/dbraw/zinc/85/24/35/726852435.db2.gz BYEGTBZEKNVTIM-UHFFFAOYSA-N -2 3 341.763 2.594 20 0 EFADHL O=C([O-])[C@H]1CC12CCN(C(=O)CCCc1ccc([O-])c(F)c1)CC2 ZINC000908651266 727235316 /nfs/dbraw/zinc/23/53/16/727235316.db2.gz AXFPEHLYCYAYOW-CYBMUJFWSA-N -2 3 335.375 2.567 20 0 EFADHL O=C([O-])[C@@H]1CC12CCN(C(=O)c1cc([O-])c3ccccc3c1)CC2 ZINC000908659060 727237151 /nfs/dbraw/zinc/23/71/51/727237151.db2.gz IYIVISJUNQRZRQ-HNNXBMFYSA-N -2 3 325.364 2.872 20 0 EFADHL CC(C)CN(CCC(=O)[O-])C(=O)CCCc1ccc([O-])c(F)c1 ZINC000908861379 727277375 /nfs/dbraw/zinc/27/73/75/727277375.db2.gz QLHKKWIATQKCBH-UHFFFAOYSA-N -2 3 325.380 2.813 20 0 EFADHL CC(C)C[C@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C(=O)[O-] ZINC000909287381 727359481 /nfs/dbraw/zinc/35/94/81/727359481.db2.gz YMWUXZMFFGLGBE-SNVBAGLBSA-N -2 3 333.306 2.888 20 0 EFADHL CC[C@@H](C)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909864560 727390018 /nfs/dbraw/zinc/39/00/18/727390018.db2.gz BJMWJHZDRYYWFC-BXUZGUMPSA-N -2 3 325.380 2.860 20 0 EFADHL CC[C@H](C)C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)C(=O)[O-] ZINC000909864563 727390031 /nfs/dbraw/zinc/39/00/31/727390031.db2.gz BJMWJHZDRYYWFC-SMDDNHRTSA-N -2 3 325.380 2.860 20 0 EFADHL O=C([O-])c1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)s1 ZINC000909846922 727390062 /nfs/dbraw/zinc/39/00/62/727390062.db2.gz GSBQOFANZDLIAJ-UHFFFAOYSA-N -2 3 337.372 2.930 20 0 EFADHL O=C([O-])C[C@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)C1CC1 ZINC000909965592 727399967 /nfs/dbraw/zinc/39/99/67/727399967.db2.gz HCTNJBCBCJYZCU-SNVBAGLBSA-N -2 3 331.290 2.642 20 0 EFADHL Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])cs2)c([O-])c1 ZINC000910114836 727413806 /nfs/dbraw/zinc/41/38/06/727413806.db2.gz PMHNPBMFRBXEOO-GFCCVEGCSA-N -2 3 332.381 2.833 20 0 EFADHL Cc1ccc(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c([O-])c1 ZINC000910677654 727458192 /nfs/dbraw/zinc/45/81/92/727458192.db2.gz AAEZZWNMQULRPV-VIFPVBQESA-N -2 3 332.381 2.599 20 0 EFADHL O=C([O-])C[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccncc1 ZINC000911664895 727576219 /nfs/dbraw/zinc/57/62/19/727576219.db2.gz XVXGMKBXEYSBAM-OAHLLOKOSA-N -2 3 346.358 2.581 20 0 EFADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1occc1Br ZINC000183684952 728255984 /nfs/dbraw/zinc/25/59/84/728255984.db2.gz CGDKOLXBLZYRRQ-UHFFFAOYSA-N -2 3 333.145 2.742 20 0 EFADHL O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc([O-])ccc1Cl ZINC000323256195 970981783 /nfs/dbraw/zinc/98/17/83/970981783.db2.gz DSFWSYSINRGQRP-HNNXBMFYSA-N -2 3 331.755 2.697 20 0 EFADHL CCc1cc(C(=O)[O-])c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)s1 ZINC000324674941 971146419 /nfs/dbraw/zinc/14/64/19/971146419.db2.gz PHPJCZFFXRIFPB-UHFFFAOYSA-N -2 3 349.412 2.692 20 0 EFADHL Cc1c(NC(=O)c2ccc([O-])c(Cl)c2)cccc1-c1nn[n-]n1 ZINC000822108840 945961896 /nfs/dbraw/zinc/96/18/96/945961896.db2.gz LKFWFIKYDQGXHM-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL O=C([O-])CC1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCCC1 ZINC000315344277 950845414 /nfs/dbraw/zinc/84/54/14/950845414.db2.gz XVUMDHLSXPJYED-UHFFFAOYSA-N -2 3 349.811 2.935 20 0 EFADHL O=C([O-])CC[C@@H]1CCCCN1Cc1ncc(Br)cc1[O-] ZINC001595012976 951274281 /nfs/dbraw/zinc/27/42/81/951274281.db2.gz YSIXLXBZXSYVQK-NSHDSACASA-N -2 3 343.221 2.769 20 0 EFADHL O=C([O-])C[C@@H]1CCCCN1C(=O)c1cc([O-])cc(Br)c1 ZINC000700750018 954872089 /nfs/dbraw/zinc/87/20/89/954872089.db2.gz WHDJWQGXIYURES-NSHDSACASA-N -2 3 342.189 2.624 20 0 EFADHL CCC(CC)(C(=O)[O-])C(=O)Nc1n[n-]c(-c2c(F)cccc2F)n1 ZINC001589481290 954976402 /nfs/dbraw/zinc/97/64/02/954976402.db2.gz SDTFJLRVAQLAEU-UHFFFAOYSA-N -2 3 338.314 2.579 20 0 EFADHL O=C([O-])/C=C/c1ccc(S(=O)(=O)[N-]c2cccnc2Cl)cc1 ZINC000386541309 972063261 /nfs/dbraw/zinc/06/32/61/972063261.db2.gz JLCNADQUINLIHA-VMPITWQZSA-N -2 3 338.772 2.634 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c1F ZINC000386918399 972090814 /nfs/dbraw/zinc/09/08/14/972090814.db2.gz OWPHEXZEGYCHFZ-NSHDSACASA-N -2 3 345.367 2.664 20 0 EFADHL O=C([O-])[C@@H]1CCN(Cc2nc(=O)c3c(-c4ccco4)csc3[n-]2)C1 ZINC000819286998 955441254 /nfs/dbraw/zinc/44/12/54/955441254.db2.gz MMMBFLNGMJHAAW-SECBINFHSA-N -2 3 345.380 2.563 20 0 EFADHL O=C([O-])CCCCCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000037463108 957302602 /nfs/dbraw/zinc/30/26/02/957302602.db2.gz NLNDAGKRSAMFMI-UHFFFAOYSA-N -2 3 337.800 2.793 20 0 EFADHL CCC1CCC([N-]S(=O)(=O)c2ccc(F)cc2F)(C(=O)[O-])CC1 ZINC000390396179 972281983 /nfs/dbraw/zinc/28/19/83/972281983.db2.gz GAPCSYKIDRZSFR-UHFFFAOYSA-N -2 3 347.383 2.667 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-][C@H]2CC=CCC2)c1F ZINC000088747658 958065535 /nfs/dbraw/zinc/06/55/35/958065535.db2.gz AGIMALLDFGKPHZ-VIFPVBQESA-N -2 3 333.768 2.564 20 0 EFADHL Cc1cc(=O)[n-]c(-c2cccc(OC(=O)CCCCC(=O)[O-])c2)n1 ZINC001594269069 959779872 /nfs/dbraw/zinc/77/98/72/959779872.db2.gz HQCYXPGWKZRMQA-UHFFFAOYSA-N -2 3 330.340 2.708 20 0 EFADHL CCC[C@](C)([N-]S(=O)(=O)c1cc(C)c(Cl)s1)C(=O)[O-] ZINC000231806651 960206485 /nfs/dbraw/zinc/20/64/85/960206485.db2.gz YZBBPPLPEXYGFM-NSHDSACASA-N -2 3 325.839 2.632 20 0 EFADHL O=C([O-])c1coc(CNCc2cccc([O-])c2Br)c1 ZINC001571168851 962031242 /nfs/dbraw/zinc/03/12/42/962031242.db2.gz NNXBPEJMRIOCJV-UHFFFAOYSA-N -2 3 326.146 2.736 20 0 EFADHL Cc1oc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C#N)ccc1Cl ZINC000316636538 964034095 /nfs/dbraw/zinc/03/40/95/964034095.db2.gz AGZDYWNNKFMURI-UHFFFAOYSA-N -2 3 340.744 2.612 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc([C@H](C)C(=O)[O-])cc2)cc1C ZINC000396480880 972902193 /nfs/dbraw/zinc/90/21/93/972902193.db2.gz HFDXACVFSVOASA-LBPRGKRZSA-N -2 3 349.408 2.993 20 0 EFADHL C[C@]1([N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CC=CCC1 ZINC000398366289 973126709 /nfs/dbraw/zinc/12/67/09/973126709.db2.gz HMMKPGJHUMXEMX-AWEZNQCLSA-N -2 3 347.795 2.954 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C\c2ccccc2F)c1O ZINC000799924429 978845765 /nfs/dbraw/zinc/84/57/65/978845765.db2.gz CTRUUKWCYLDAOK-HJWRWDBZSA-N -2 3 337.328 2.642 20 0 EFADHL CC[C@@H](CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)[O-])OC ZINC000817353031 978903530 /nfs/dbraw/zinc/90/35/30/978903530.db2.gz BNRAWLVGNMIRNN-ZDUSSCGKSA-N -2 3 337.397 2.705 20 0 EFADHL CCC([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)(C1CC1)C1CC1 ZINC001595310124 980466047 /nfs/dbraw/zinc/46/60/47/980466047.db2.gz BAVYUMDRUFXKKF-UHFFFAOYSA-N -2 3 327.402 2.533 20 0 EFADHL CC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1 ZINC001595444634 981089465 /nfs/dbraw/zinc/08/94/65/981089465.db2.gz SNZHZGPIYNTYNT-NEPJUHHUSA-N -2 3 329.418 2.781 20 0 EFADHL O=C([O-])[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000909678298 981567711 /nfs/dbraw/zinc/56/77/11/981567711.db2.gz JLKWISBTOPSFLG-PVUWLOKVSA-N -2 3 325.364 2.871 20 0 EFADHL CC[C@@](C)([N-]S(=O)(=O)c1c(C)csc1C(=O)[O-])C(F)(F)F ZINC001594853110 982107033 /nfs/dbraw/zinc/10/70/33/982107033.db2.gz HSVRMWBNOWXCDF-SNVBAGLBSA-N -2 3 345.364 2.764 20 0 EFADHL CCCCOc1ccc(C(=O)NC[C@@H](CC(=O)[O-])C2CC2)c([O-])c1 ZINC001595777317 982546633 /nfs/dbraw/zinc/54/66/33/982546633.db2.gz RHEXTSUXSQUOIN-CYBMUJFWSA-N -2 3 335.400 2.802 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccc(C)c2)cc1[O-] ZINC001589276228 985988516 /nfs/dbraw/zinc/98/85/16/985988516.db2.gz SCIKIBXEOKHRQB-MRXNPFEDSA-N -2 3 341.363 2.849 20 0 EFADHL CC(=O)c1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)cc1[O-] ZINC001589277136 985993036 /nfs/dbraw/zinc/99/30/36/985993036.db2.gz DBHSAYGBPRSVJW-UHFFFAOYSA-N -2 3 349.726 2.904 20 0 EFADHL CC(=O)c1ccc(C(=O)Nc2ccc(OCCC(=O)[O-])cc2)cc1[O-] ZINC001589277321 985993781 /nfs/dbraw/zinc/99/37/81/985993781.db2.gz NAAYFCZKLRDHMZ-UHFFFAOYSA-N -2 3 343.335 2.701 20 0 EFADHL CCc1ccc(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2)c([O-])c1 ZINC001597500372 988055301 /nfs/dbraw/zinc/05/53/01/988055301.db2.gz LDPOFKRGYUTODM-MRXNPFEDSA-N -2 3 329.352 2.519 20 0 EFADHL CCc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)c([O-])c1 ZINC001597502864 988070162 /nfs/dbraw/zinc/07/01/62/988070162.db2.gz JHUXOVDVRRGACF-UHFFFAOYSA-N -2 3 329.352 2.979 20 0 EFADHL CCc1cccc(C(=O)N2Cc3ccccc3[C@H](C(=O)[O-])C2)c1[O-] ZINC001597570492 988345291 /nfs/dbraw/zinc/34/52/91/988345291.db2.gz LPYGWIRVVWHNLL-MRXNPFEDSA-N -2 3 325.364 2.779 20 0 EFADHL CCc1cccc(C(=O)N(CCc2ccccc2)CC(=O)[O-])c1[O-] ZINC001597570531 988346390 /nfs/dbraw/zinc/34/63/90/988346390.db2.gz NQCZPUSGRWLJGW-UHFFFAOYSA-N -2 3 327.380 2.724 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@H](CC(=O)[O-])Cc2ccccc2)c1 ZINC001599820021 988496306 /nfs/dbraw/zinc/49/63/06/988496306.db2.gz NVCZIPMCJPTTOX-ZDUSSCGKSA-N -2 3 345.420 2.930 20 0 EFADHL CSc1ccc([O-])c(C(=O)N2Cc3ccccc3[C@@H](C(=O)[O-])C2)c1 ZINC001599820424 988503909 /nfs/dbraw/zinc/50/39/09/988503909.db2.gz ZHGCNCVOLNDWDI-HNNXBMFYSA-N -2 3 343.404 2.938 20 0 EFADHL CCc1nc([N-]C(=O)c2c(C)noc2C(F)(F)F)sc1C(=O)[O-] ZINC001597682146 988818624 /nfs/dbraw/zinc/81/86/24/988818624.db2.gz RIBCJIQBFUVSTJ-UHFFFAOYSA-N -2 3 349.290 2.971 20 0 EFADHL C[C@@H]1C[C@H](C(=O)[O-])CCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001599877936 989443569 /nfs/dbraw/zinc/44/35/69/989443569.db2.gz OEBKVWYUAVLMJX-NXEZZACHSA-N -2 3 348.786 2.507 20 0 EFADHL COc1cccc2c(C(=O)OCc3ccc(C(=O)[O-])s3)n[n-]c21 ZINC001599689439 991042877 /nfs/dbraw/zinc/04/28/77/991042877.db2.gz LOBOPMCPOCQZHZ-UHFFFAOYSA-N -2 3 332.337 2.688 20 0 EFADHL COc1cccc2c(C(=O)OCc3ccc(C(=O)[O-])s3)[n-]nc21 ZINC001599689439 991042885 /nfs/dbraw/zinc/04/28/85/991042885.db2.gz LOBOPMCPOCQZHZ-UHFFFAOYSA-N -2 3 332.337 2.688 20 0 EFADHL CC(C)C(C)(C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC001590967733 991085118 /nfs/dbraw/zinc/08/51/18/991085118.db2.gz FTIUJMISMYNGHM-UHFFFAOYSA-N -2 3 337.800 2.890 20 0 EFADHL CC(C)[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC1 ZINC001591032854 991342143 /nfs/dbraw/zinc/34/21/43/991342143.db2.gz CSRMKCDZAKCWKZ-CYBMUJFWSA-N -2 3 349.811 2.890 20 0 EFADHL CC(C)[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])CC1 ZINC001591089092 991629479 /nfs/dbraw/zinc/62/94/79/991629479.db2.gz RGFNPMGPNIFCTN-MNOVXSKESA-N -2 3 346.474 2.725 20 0 EFADHL CC(C)CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001591227673 992099375 /nfs/dbraw/zinc/09/93/75/992099375.db2.gz JPKWNNUMZBQGML-GHMZBOCLSA-N -2 3 346.474 2.725 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2cc3[nH]ccc3c(C(=O)[O-])c2)c1 ZINC001599598476 993781292 /nfs/dbraw/zinc/78/12/92/993781292.db2.gz QHKUWDVZJPKVBL-UHFFFAOYSA-N -2 3 326.308 2.833 20 0 EFADHL COc1cccc(C(=O)Nc2nc(C(=O)[O-])c(C3CC3)s2)c1[O-] ZINC001599642756 994381954 /nfs/dbraw/zinc/38/19/54/994381954.db2.gz QJNFFHNWLRNASS-UHFFFAOYSA-N -2 3 334.353 2.685 20 0 EFADHL C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)C(=O)[O-] ZINC001593685493 996115396 /nfs/dbraw/zinc/11/53/96/996115396.db2.gz XPGWYMPGHCIYDR-LURJTMIESA-N -2 3 327.362 2.555 20 0 EFADHL CC1(C)CC(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)C1 ZINC001593853329 996631264 /nfs/dbraw/zinc/63/12/64/996631264.db2.gz JZGZKUKRORSWNB-UHFFFAOYSA-N -2 3 349.811 2.892 20 0 EFADHL CC1(C)C[C@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001593870079 996679275 /nfs/dbraw/zinc/67/92/75/996679275.db2.gz IXMXMORIOXLSFC-ZETCQYMHSA-N -2 3 335.784 2.502 20 0 EFADHL CC1(C)CCC(C)(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001593874391 996689736 /nfs/dbraw/zinc/68/97/36/996689736.db2.gz RLSXHYPPEIXTSM-UHFFFAOYSA-N -2 3 329.418 2.863 20 0 EFADHL COc1cc(C(=O)OCCc2ccccc2C(=O)[O-])cc(OC)c1[O-] ZINC001599388407 996987648 /nfs/dbraw/zinc/98/76/48/996987648.db2.gz TZHAEVXRDROHEH-UHFFFAOYSA-N -2 3 346.335 2.507 20 0 EFADHL CC(=Cc1sccc1Cl)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588773098 1092990545 /nfs/dbraw/zinc/99/05/45/1092990545.db2.gz SVVKAADFAGQVFG-AATRIKPKSA-N -2 3 334.792 2.946 20 0 EFADHL CC(=Cc1sccc1Cl)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588773098 1092990556 /nfs/dbraw/zinc/99/05/56/1092990556.db2.gz SVVKAADFAGQVFG-AATRIKPKSA-N -2 3 334.792 2.946 20 0 EFADHL CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001589272768 1093062738 /nfs/dbraw/zinc/06/27/38/1093062738.db2.gz PDTXOMIOLZWXQD-UHFFFAOYSA-N -2 3 343.387 2.574 20 0 EFADHL CC(C)(CCC(=O)[O-])C(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001589272768 1093062745 /nfs/dbraw/zinc/06/27/45/1093062745.db2.gz PDTXOMIOLZWXQD-UHFFFAOYSA-N -2 3 343.387 2.574 20 0 EFADHL C[C@H](OC(=O)c1c(F)cc([O-])cc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC001590012341 1093220747 /nfs/dbraw/zinc/22/07/47/1093220747.db2.gz ZULFSDHSNCVPBY-QMMMGPOBSA-N -2 3 346.293 2.769 20 0 EFADHL CCC(CC)(CC(=O)Nc1cc(-c2nnn[n-]2)c(F)cc1C)C(=O)[O-] ZINC001590424805 1093418471 /nfs/dbraw/zinc/41/84/71/1093418471.db2.gz XHNCEZVFYNIKDZ-UHFFFAOYSA-N -2 3 349.366 2.534 20 0 EFADHL CCC(CC)(CC(=O)Nc1cc(-c2nn[n-]n2)c(F)cc1C)C(=O)[O-] ZINC001590424805 1093418473 /nfs/dbraw/zinc/41/84/73/1093418473.db2.gz XHNCEZVFYNIKDZ-UHFFFAOYSA-N -2 3 349.366 2.534 20 0 EFADHL CO[C@H](C)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001591325085 1093692346 /nfs/dbraw/zinc/69/23/46/1093692346.db2.gz VCPIODQMERSAHQ-SNVBAGLBSA-N -2 3 339.355 2.532 20 0 EFADHL COc1ccc(-c2ccc(-c3nnn[n-]3)s2)cc1C1(C(=O)[O-])CC1 ZINC001591556239 1093768752 /nfs/dbraw/zinc/76/87/52/1093768752.db2.gz UFAVIRXWKKBKJS-UHFFFAOYSA-N -2 3 342.380 2.720 20 0 EFADHL COc1ccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)cc1C ZINC001591582557 1093780289 /nfs/dbraw/zinc/78/02/89/1093780289.db2.gz COEDXTUSVFRJLO-NTMALXAHSA-N -2 3 338.371 2.548 20 0 EFADHL COc1ccc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)cc1C ZINC001591582557 1093780298 /nfs/dbraw/zinc/78/02/98/1093780298.db2.gz COEDXTUSVFRJLO-NTMALXAHSA-N -2 3 338.371 2.548 20 0 EFADHL O=C([N-]OCCC1CC1)C1(c2ccc(-c3nnn[n-]3)cc2)CCCC1 ZINC001593169471 1094232139 /nfs/dbraw/zinc/23/21/39/1094232139.db2.gz SXOMNDWIZFMDNC-UHFFFAOYSA-N -2 3 341.415 2.526 20 0 EFADHL O=C([N-]OCCC1CC1)C1(c2ccc(-c3nn[n-]n3)cc2)CCCC1 ZINC001593169471 1094232143 /nfs/dbraw/zinc/23/21/43/1094232143.db2.gz SXOMNDWIZFMDNC-UHFFFAOYSA-N -2 3 341.415 2.526 20 0 EFADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cscc1-c1nnn[n-]1 ZINC001593205702 1094237531 /nfs/dbraw/zinc/23/75/31/1094237531.db2.gz QZNNDOHBDTUKIA-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cc(Cl)c([O-])cc1F)c1cscc1-c1nn[n-]n1 ZINC001593205702 1094237538 /nfs/dbraw/zinc/23/75/38/1094237538.db2.gz QZNNDOHBDTUKIA-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1sccc1-c1nnn[n-]1 ZINC001593209551 1094239163 /nfs/dbraw/zinc/23/91/63/1094239163.db2.gz GPWWTWQHKUQDHJ-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1sccc1-c1nn[n-]n1 ZINC001593209551 1094239169 /nfs/dbraw/zinc/23/91/69/1094239169.db2.gz GPWWTWQHKUQDHJ-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cccc(Cl)c1[O-])c1cccc(F)c1-c1nnn[n-]1 ZINC001593248351 1094252525 /nfs/dbraw/zinc/25/25/25/1094252525.db2.gz VWFXVUHSJZZROX-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1cccc(Cl)c1[O-])c1cccc(F)c1-c1nn[n-]n1 ZINC001593248351 1094252533 /nfs/dbraw/zinc/25/25/33/1094252533.db2.gz VWFXVUHSJZZROX-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1cccc2ccc(O)cc21)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001593248755 1094254167 /nfs/dbraw/zinc/25/41/67/1094254167.db2.gz DMGVDJBPGNCLML-UHFFFAOYSA-N -2 3 347.334 2.683 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2cccc(F)c2-c2nnn[n-]2)s1 ZINC001593277219 1094261806 /nfs/dbraw/zinc/26/18/06/1094261806.db2.gz UPZHFPBODKQDRY-YDFGWWAZSA-N -2 3 343.343 2.731 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2cccc(F)c2-c2nn[n-]n2)s1 ZINC001593277219 1094261812 /nfs/dbraw/zinc/26/18/12/1094261812.db2.gz UPZHFPBODKQDRY-YDFGWWAZSA-N -2 3 343.343 2.731 20 0 EFADHL O=C([O-])CCCCCNc1cc(-c2nnn[n-]2)ccc1C(F)(F)F ZINC001593278274 1094262414 /nfs/dbraw/zinc/26/24/14/1094262414.db2.gz XCICTZPUTRQBTK-UHFFFAOYSA-N -2 3 343.309 2.942 20 0 EFADHL O=C([O-])CCCCCNc1cc(-c2nn[n-]n2)ccc1C(F)(F)F ZINC001593278274 1094262417 /nfs/dbraw/zinc/26/24/17/1094262417.db2.gz XCICTZPUTRQBTK-UHFFFAOYSA-N -2 3 343.309 2.942 20 0 EFADHL O=C(OCc1cccc(-c2nnn[n-]2)c1F)c1cc([S-])ccc1F ZINC001593302241 1094275514 /nfs/dbraw/zinc/27/55/14/1094275514.db2.gz KVGTWKCGAMIZHH-UHFFFAOYSA-N -2 3 348.334 2.791 20 0 EFADHL O=C(OCc1cccc(-c2nn[n-]n2)c1F)c1cc([S-])ccc1F ZINC001593302241 1094275519 /nfs/dbraw/zinc/27/55/19/1094275519.db2.gz KVGTWKCGAMIZHH-UHFFFAOYSA-N -2 3 348.334 2.791 20 0 EFADHL Cc1c(C(=O)[O-])cc(CNC(=O)c2cc([O-])c3ccccc3c2)n1C ZINC001599993139 1094706464 /nfs/dbraw/zinc/70/64/64/1094706464.db2.gz KYCNHUHKQCXAJS-UHFFFAOYSA-N -2 3 338.363 2.821 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001600158722 1094821595 /nfs/dbraw/zinc/82/15/95/1094821595.db2.gz HVZQIMCKHJLBJG-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1cc(C)cc(C[C@H](C)[N-]S(=O)(=O)c2occc2C(=O)[O-])c1 ZINC001600172024 1094838787 /nfs/dbraw/zinc/83/87/87/1094838787.db2.gz DCWSPGDBYQMAJC-LBPRGKRZSA-N -2 3 337.397 2.504 20 0 EFADHL Cc1cc(C[N-]C(=O)C(F)(F)c2ccc(F)cc2)oc1C(=O)[O-] ZINC001600199013 1094870852 /nfs/dbraw/zinc/87/08/52/1094870852.db2.gz ULPCUTUVTNIBII-UHFFFAOYSA-N -2 3 327.258 2.834 20 0 EFADHL Cc1cc(N(C)C)cc(C)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC001600236374 1094909506 /nfs/dbraw/zinc/90/95/06/1094909506.db2.gz GMKVVOYKRMRFNF-UHFFFAOYSA-N -2 3 348.424 2.868 20 0 EFADHL Cc1cc(NC(=O)c2ccc3c(c2[O-])OC(C)(C)C3)c(C(=O)[O-])[nH]1 ZINC001600275342 1094935035 /nfs/dbraw/zinc/93/50/35/1094935035.db2.gz GZVQKKKGVWCZJW-UHFFFAOYSA-N -2 3 330.340 2.693 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2cccc(F)c2F)oc1C(=O)[O-] ZINC001600296452 1094951059 /nfs/dbraw/zinc/95/10/59/1094951059.db2.gz BVJNZYKFJDFWQC-MRVPVSSYSA-N -2 3 345.323 2.604 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCC(C)(C)C2)oc1C(=O)[O-] ZINC001600299248 1094952860 /nfs/dbraw/zinc/95/28/60/1094952860.db2.gz SQTRNWWOLAGGPY-LLVKDONJSA-N -2 3 329.418 2.781 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)oc1C(=O)[O-] ZINC001600298888 1094953565 /nfs/dbraw/zinc/95/35/65/1094953565.db2.gz PKCCVHBMMXUDCY-UHFFFAOYSA-N -2 3 335.381 2.511 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)oc1C(=O)[O-] ZINC001600298767 1094953955 /nfs/dbraw/zinc/95/39/55/1094953955.db2.gz NZAYYVFCYFFILR-UHFFFAOYSA-N -2 3 339.413 2.533 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC[C@H]2CCCC2(C)C)oc1C(=O)[O-] ZINC001600299300 1094953995 /nfs/dbraw/zinc/95/39/95/1094953995.db2.gz XCNQSQGYNGVGEY-LLVKDONJSA-N -2 3 329.418 2.781 20 0 EFADHL Cc1cc2[nH]ncc2cc1[N-]S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC001600307664 1094958655 /nfs/dbraw/zinc/95/86/55/1094958655.db2.gz UKABUGYQESLFOA-UHFFFAOYSA-N -2 3 349.343 2.509 20 0 EFADHL Cc1oc(C)c(S(=O)(=O)[N-]c2cc3cn[nH]c3cc2C)c1C(=O)[O-] ZINC001600307249 1094960091 /nfs/dbraw/zinc/96/00/91/1094960091.db2.gz OEZHNPSKLXDESC-UHFFFAOYSA-N -2 3 349.368 2.580 20 0 EFADHL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])Oc3ccccc32)c([O-])c1C ZINC001600332453 1094978997 /nfs/dbraw/zinc/97/89/97/1094978997.db2.gz ZFAAVTCYYDCVMU-HNNXBMFYSA-N -2 3 327.336 2.501 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)C[C@@H](C(=O)[O-])c2ccccc2)c1F ZINC001600542203 1095149562 /nfs/dbraw/zinc/14/95/62/1095149562.db2.gz BSXMWLYZYAXIAF-CYBMUJFWSA-N -2 3 337.372 2.744 20 0 EFADHL O=C([O-])C1(CCCCNC(=O)c2cc(=O)c3ccccc3[n-]2)CCC1 ZINC001601496952 1095705809 /nfs/dbraw/zinc/70/58/09/1095705809.db2.gz LNRNJRFEBONDQW-UHFFFAOYSA-N -2 3 342.395 2.683 20 0 EFADHL O=C([O-])c1cc2cccnc2c(NC(=O)[N-]O[C@@H]2CCCCO2)c1 ZINC001601563012 1095732200 /nfs/dbraw/zinc/73/22/00/1095732200.db2.gz FEOFDASOZRFFCY-CYBMUJFWSA-N -2 3 331.328 2.513 20 0 EFADHL O=C([O-])c1ccsc1[N-]C(=O)c1noc(-c2ccc(F)cc2)n1 ZINC001601634391 1095775969 /nfs/dbraw/zinc/77/59/69/1095775969.db2.gz DEMMBCKFZRVAJD-UHFFFAOYSA-N -2 3 333.300 2.888 20 0 EFADHL O=C([O-])[C@H]([N-]C(=O)C(F)(F)c1cccc(Cl)c1)c1cccnc1 ZINC001601664462 1095795199 /nfs/dbraw/zinc/79/51/99/1095795199.db2.gz LVMNDEXJEAKHEM-GFCCVEGCSA-N -2 3 340.713 2.769 20 0 EFADHL O=C([O-])[C@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccc(O)cc1 ZINC001601664615 1095795467 /nfs/dbraw/zinc/79/54/67/1095795467.db2.gz NCHKCMLZFYNWPW-CYBMUJFWSA-N -2 3 339.269 2.565 20 0 EFADHL O=C([O-])[C@]1([N-]C(=O)C(F)(F)c2ccc(Cl)cc2)CCSC1 ZINC001601718905 1095862566 /nfs/dbraw/zinc/86/25/66/1095862566.db2.gz GTOMGVDFVHJNJG-LBPRGKRZSA-N -2 3 335.759 2.508 20 0 EFADHL O=C([O-])CC1(CNC(=O)c2cc3sccc3c([O-])c2)CCOCC1 ZINC001601919015 1095976373 /nfs/dbraw/zinc/97/63/73/1095976373.db2.gz BPTNQNWVLFHDMH-UHFFFAOYSA-N -2 3 349.408 2.608 20 0 EFADHL O=C([O-])C[C@H]1CCCCN1C(=O)c1c[n-]c2c(Cl)cccc2c1=O ZINC001601949861 1095989753 /nfs/dbraw/zinc/98/97/53/1095989753.db2.gz VUNHRCDMGBUCSG-SNVBAGLBSA-N -2 3 348.786 2.651 20 0 EFADHL O=C([O-])CCCc1csc(NC(=O)Cc2ccc([O-])c(F)c2)n1 ZINC001601999770 1096014431 /nfs/dbraw/zinc/01/44/31/1096014431.db2.gz GTEZLEJPMPPVEI-UHFFFAOYSA-N -2 3 338.360 2.576 20 0 EFADHL O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cc2sccc2c([O-])c1 ZINC001602004531 1096016542 /nfs/dbraw/zinc/01/65/42/1096016542.db2.gz DUKMVFBBQRWQNV-LBPRGKRZSA-N -2 3 349.408 2.703 20 0 EFADHL O=C([O-])CCc1csc(NC(=O)[N-]OCc2ccc(F)cc2)n1 ZINC001602046353 1096036867 /nfs/dbraw/zinc/03/68/67/1096036867.db2.gz IBKBZEUUKSUTPF-UHFFFAOYSA-N -2 3 339.348 2.553 20 0 EFADHL O=C([O-])c1cc(-c2csc([N-]c3ncnc4ncccc34)n2)c[nH]1 ZINC001602236079 1096131625 /nfs/dbraw/zinc/13/16/25/1096131625.db2.gz JTPZIOUGHJROKU-UHFFFAOYSA-N -2 3 338.352 2.918 20 0 EFADHL O=C([O-])c1c[nH]c(SCc2nc3c4ccccc4oc3c(=O)[n-]2)n1 ZINC001602236519 1096131941 /nfs/dbraw/zinc/13/19/41/1096131941.db2.gz CVDSZHLHOJZVIO-UHFFFAOYSA-N -2 3 342.336 2.795 20 0 EFADHL O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccc1[O-])CC3 ZINC001602408503 1096227593 /nfs/dbraw/zinc/22/75/93/1096227593.db2.gz ZGGHUHNLNFVVGH-UHFFFAOYSA-N -2 3 336.347 2.770 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@@H]1CCC[C@H]1c1ccccc1 ZINC001602489318 1096270391 /nfs/dbraw/zinc/27/03/91/1096270391.db2.gz ZMFCGWYVBZXHFL-KBPBESRZSA-N -2 3 349.408 2.840 20 0 EFADHL O=C([O-])c1coc(C(=O)[N-]c2nc(-c3ccc(F)cc3)ns2)c1 ZINC001602550428 1096294715 /nfs/dbraw/zinc/29/47/15/1096294715.db2.gz ATPBWTLYULAHRA-UHFFFAOYSA-N -2 3 333.300 2.888 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCc3cc(Cl)ccc32)c1 ZINC001602559059 1096297849 /nfs/dbraw/zinc/29/78/49/1096297849.db2.gz KAZJWFISFHLQKF-GFCCVEGCSA-N -2 3 341.772 2.597 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@]2(C(=O)[O-])CCCC(C)(C)C2)cc1[O-] ZINC001603108938 1096446213 /nfs/dbraw/zinc/44/62/13/1096446213.db2.gz OKDRRXRHIAOQET-GOSISDBHSA-N -2 3 333.384 2.748 20 0 EFADHL CC(C)(C)c1ccc(-c2nnn[n-]2)c(NC2CCC(C(=O)[O-])CC2)n1 ZINC001603115829 1096447233 /nfs/dbraw/zinc/44/72/33/1096447233.db2.gz MFDJPNLFENOZAK-UHFFFAOYSA-N -2 3 344.419 2.615 20 0 EFADHL CC(C)(C)c1ccc(-c2nn[n-]n2)c(NC2CCC(C(=O)[O-])CC2)n1 ZINC001603115829 1096447240 /nfs/dbraw/zinc/44/72/40/1096447240.db2.gz MFDJPNLFENOZAK-UHFFFAOYSA-N -2 3 344.419 2.615 20 0 EFADHL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(C2CC2)c(-c2nnn[n-]2)c1 ZINC001603136965 1096456697 /nfs/dbraw/zinc/45/66/97/1096456697.db2.gz JLXRCXNBCWQRSC-UHFFFAOYSA-N -2 3 343.387 2.574 20 0 EFADHL CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(C2CC2)c(-c2nn[n-]n2)c1 ZINC001603136965 1096456702 /nfs/dbraw/zinc/45/67/02/1096456702.db2.gz JLXRCXNBCWQRSC-UHFFFAOYSA-N -2 3 343.387 2.574 20 0 EFADHL CC(C)(CC(=O)[O-])NC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC001603587673 1096562348 /nfs/dbraw/zinc/56/23/48/1096562348.db2.gz ZHTYUDRNXUSFAR-UHFFFAOYSA-N -2 3 327.380 2.966 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(O)cc2)c([O-])c1 ZINC001603997307 1096691061 /nfs/dbraw/zinc/69/10/61/1096691061.db2.gz WTRRQDCNPCYDKA-INIZCTEOSA-N -2 3 329.352 2.777 20 0 EFADHL C[C@H](CC(=O)[O-])CC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001604108397 1096741312 /nfs/dbraw/zinc/74/13/12/1096741312.db2.gz JOUNZTKUTCBYQM-VIFPVBQESA-N -2 3 328.328 2.657 20 0 EFADHL C[C@H](CC[N-]S(=O)(=O)c1csnc1C(=O)[O-])CC(C)(C)C ZINC001604142425 1096749536 /nfs/dbraw/zinc/74/95/36/1096749536.db2.gz SZOCARMPGRFSCV-SECBINFHSA-N -2 3 334.463 2.582 20 0 EFADHL CCc1ccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)s1 ZINC001604523564 1096891683 /nfs/dbraw/zinc/89/16/83/1096891683.db2.gz IRMZAEKKBIOHDE-BQYQJAHWSA-N -2 3 328.401 2.855 20 0 EFADHL CCc1ccc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)s1 ZINC001604523564 1096891689 /nfs/dbraw/zinc/89/16/89/1096891689.db2.gz IRMZAEKKBIOHDE-BQYQJAHWSA-N -2 3 328.401 2.855 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2cc(-c3nn[n-]n3)ccc2C)s1 ZINC001604527677 1096893663 /nfs/dbraw/zinc/89/36/63/1096893663.db2.gz BIPKLCHEPFNCTI-UHFFFAOYSA-N -2 3 349.441 2.600 20 0 EFADHL CC1(C)CCC[C@@](NCc2nnc(-c3ccccc3[O-])o2)(C(=O)[O-])C1 ZINC001604529717 1096895359 /nfs/dbraw/zinc/89/53/59/1096895359.db2.gz HDNPXZVAJXGQAO-SFHVURJKSA-N -2 3 345.399 2.955 20 0 EFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)C(F)(F)F ZINC001604945109 1096984922 /nfs/dbraw/zinc/98/49/22/1096984922.db2.gz KORSWWXSWVOHTE-RCOVLWMOSA-N -2 3 345.364 2.702 20 0 EFADHL CC[C@H](C)n1ncc([N-]S(=O)(=O)CC(C)(C)C(=O)[O-])c1C1CC1 ZINC001604981382 1096992612 /nfs/dbraw/zinc/99/26/12/1096992612.db2.gz PXIOJXWGZXPCIZ-JTQLQIEISA-N -2 3 343.449 2.584 20 0 EFADHL CCC[C@@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001605228145 1097059476 /nfs/dbraw/zinc/05/94/76/1097059476.db2.gz ICFQVFXWBAAFNO-NEPJUHHUSA-N -2 3 329.418 2.863 20 0 EFADHL CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC001605228147 1097060399 /nfs/dbraw/zinc/06/03/99/1097060399.db2.gz ICFQVFXWBAAFNO-RYUDHWBXSA-N -2 3 329.418 2.863 20 0 EFADHL CCO[C@H]1C[C@@](NC(=O)c2ccc(C(C)C)cc2[O-])(C(=O)[O-])C1(C)C ZINC001605607996 1097169084 /nfs/dbraw/zinc/16/90/84/1097169084.db2.gz OLPKJYQCOVWPGE-HNAYVOBHSA-N -2 3 349.427 2.904 20 0 EFADHL CCOCCCN(C[C@@H](C)C(=O)[O-])C(=O)c1cccc(CC)c1[O-] ZINC001605632020 1097174168 /nfs/dbraw/zinc/17/41/68/1097174168.db2.gz ACAOWILNYFDKMN-CYBMUJFWSA-N -2 3 337.416 2.544 20 0 EFADHL Cc1ccc(-c2nc(C(=O)[O-])c(C3CC3)s2)c(-c2nnn[n-]2)c1 ZINC001605760231 1097218726 /nfs/dbraw/zinc/21/87/26/1097218726.db2.gz YBHIGINDBVKJSX-UHFFFAOYSA-N -2 3 327.369 2.874 20 0 EFADHL Cc1ccc(-c2nc(C(=O)[O-])c(C3CC3)s2)c(-c2nn[n-]n2)c1 ZINC001605760231 1097218727 /nfs/dbraw/zinc/21/87/27/1097218727.db2.gz YBHIGINDBVKJSX-UHFFFAOYSA-N -2 3 327.369 2.874 20 0 EFADHL CCc1ccc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)c([O-])c1 ZINC001605805276 1097232802 /nfs/dbraw/zinc/23/28/02/1097232802.db2.gz YOQQMPLOUYKASQ-UHFFFAOYSA-N -2 3 325.364 2.851 20 0 EFADHL CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2cccc(OC)c2)c([O-])c1 ZINC001605806283 1097233868 /nfs/dbraw/zinc/23/38/68/1097233868.db2.gz NDPRHAJDFKGFAO-INIZCTEOSA-N -2 3 329.352 2.519 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2nc3c(s2)CC[C@H](C(=O)[O-])C3)c1 ZINC001605821298 1097237612 /nfs/dbraw/zinc/23/76/12/1097237612.db2.gz BPSGZKZGYSJRKI-JTQLQIEISA-N -2 3 346.408 2.853 20 0 EFADHL CCc1cccc(C(=O)Nc2cc(CCC(=O)[O-])ccc2O)c1[O-] ZINC001605825783 1097240064 /nfs/dbraw/zinc/24/00/64/1097240064.db2.gz GHKKZKLOZWQYGU-UHFFFAOYSA-N -2 3 329.352 2.930 20 0 EFADHL Cc1ccccc1C1(C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)CCC1 ZINC001605935346 1097280504 /nfs/dbraw/zinc/28/05/04/1097280504.db2.gz PLECNBFTDQUGAY-UHFFFAOYSA-N -2 3 349.394 2.707 20 0 EFADHL Cc1ccccc1C1(C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)CCC1 ZINC001605935346 1097280507 /nfs/dbraw/zinc/28/05/07/1097280507.db2.gz PLECNBFTDQUGAY-UHFFFAOYSA-N -2 3 349.394 2.707 20 0 EFADHL CC(C)Oc1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)ccn1 ZINC001167935843 1097348330 /nfs/dbraw/zinc/34/83/30/1097348330.db2.gz SJHSDNZXHWIIPD-UHFFFAOYSA-N -2 3 348.339 2.954 20 0 EFADHL O=P([O-])([O-])C1(Nc2nccc3cc[nH]c32)Cc2ccccc2C1 ZINC001167938404 1097378813 /nfs/dbraw/zinc/37/88/13/1097378813.db2.gz JCOYCBBONGHWRS-UHFFFAOYSA-N -2 3 329.296 2.648 20 0 EFADHL O=P([O-])([O-])C1(Nc2ccc3[nH]cnc3c2)Cc2ccccc2C1 ZINC001167939802 1097387600 /nfs/dbraw/zinc/38/76/00/1097387600.db2.gz QMBXPHIDCDDGMS-UHFFFAOYSA-N -2 3 329.296 2.648 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cscc1-c1nnn[n-]1 ZINC001606902534 1097468447 /nfs/dbraw/zinc/46/84/47/1097468447.db2.gz UJTAJXLETGIJHS-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(Nc1cc(F)cc(Cl)c1[O-])c1cscc1-c1nn[n-]n1 ZINC001606902534 1097468450 /nfs/dbraw/zinc/46/84/50/1097468450.db2.gz UJTAJXLETGIJHS-UHFFFAOYSA-N -2 3 339.739 2.679 20 0 EFADHL O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cc([S-])ccc1F ZINC001606978992 1097487925 /nfs/dbraw/zinc/48/79/25/1097487925.db2.gz RITSCDDCPFGJQY-UHFFFAOYSA-N -2 3 330.344 2.652 20 0 EFADHL COc1ccc([C@@H](NC(=O)c2ccccc2[O-])C(=O)[O-])cc1Cl ZINC001607230470 1097567492 /nfs/dbraw/zinc/56/74/92/1097567492.db2.gz MZKFOSQHIUBMLB-CQSZACIVSA-N -2 3 335.743 2.610 20 0 EFADHL CSc1cc(C)c(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)o1 ZINC001607401515 1097619158 /nfs/dbraw/zinc/61/91/58/1097619158.db2.gz ONLJJAZBSRBABU-UHFFFAOYSA-N -2 3 341.414 2.821 20 0 EFADHL CSc1ccc([O-])c(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC001607409416 1097622716 /nfs/dbraw/zinc/62/27/16/1097622716.db2.gz KRLFYDFQVOBDFS-CYBMUJFWSA-N -2 3 349.330 2.593 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@@H](C)c2ncc(C(=O)[O-])s2)c1 ZINC001607410119 1097622799 /nfs/dbraw/zinc/62/27/99/1097622799.db2.gz PYTWHGDDKGESTD-ZETCQYMHSA-N -2 3 338.410 2.760 20 0 EFADHL Cc1c(Br)ccc([O-])c1NC(=O)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC001607502208 1097644010 /nfs/dbraw/zinc/64/40/10/1097644010.db2.gz MYEZIYWVYXFFDR-OCAPTIKFSA-N -2 3 328.162 2.512 20 0 EFADHL Cc1cc(Br)c(C(=O)[N-]c2nc(C(=O)[O-])ns2)s1 ZINC001607561079 1097661026 /nfs/dbraw/zinc/66/10/26/1097661026.db2.gz NQTGJIKQWADLCJ-UHFFFAOYSA-N -2 3 348.203 2.621 20 0 EFADHL Cc1cc(C(=O)[O-])cc(Cl)c1[N-]S(=O)(=O)c1cccnc1 ZINC001607590929 1097669132 /nfs/dbraw/zinc/66/91/32/1097669132.db2.gz DGDIHZUAEMQOKZ-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL Cc1cc(C)cc([C@@H]([N-]C(=O)C(F)(F)c2nccs2)C(=O)[O-])c1 ZINC001607624213 1097680179 /nfs/dbraw/zinc/68/01/79/1097680179.db2.gz DPEMMMKSRWMTGG-LLVKDONJSA-N -2 3 340.351 2.794 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@]2(C)CCCC[C@H]2C(=O)[O-])c(F)cc1F ZINC001607706624 1097704979 /nfs/dbraw/zinc/70/49/79/1097704979.db2.gz XWNNWWKISVVHHO-ZUZCIYMTSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2[C@H](c3ccccc3)C2(C)C)oc1C(=O)[O-] ZINC001607708160 1097705005 /nfs/dbraw/zinc/70/50/05/1097705005.db2.gz ALTSBEIZEWSLEN-ZFWWWQNUSA-N -2 3 349.408 2.757 20 0 EFADHL Cc1ccc(C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)c([O-])c1 ZINC001607729800 1097712093 /nfs/dbraw/zinc/71/20/93/1097712093.db2.gz DXHYVKPATYPEKT-GFCCVEGCSA-N -2 3 329.352 2.655 20 0 EFADHL Cc1ccc(C)c(S(=O)(=O)[N-]c2ncc(C(=O)[O-])cc2Cl)c1 ZINC001607764918 1097725357 /nfs/dbraw/zinc/72/53/57/1097725357.db2.gz KCLATPAQUNMNJG-UHFFFAOYSA-N -2 3 340.788 2.851 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)CCCC(F)(F)F)cc1C(=O)[O-] ZINC001608057191 1097818799 /nfs/dbraw/zinc/81/87/99/1097818799.db2.gz ZEIKFPDXEIAETK-SSDOTTSWSA-N -2 3 343.323 2.686 20 0 EFADHL O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001608399885 1097911564 /nfs/dbraw/zinc/91/15/64/1097911564.db2.gz OVLBWVYIYLLHJQ-QGZVFWFLSA-N -2 3 335.359 2.971 20 0 EFADHL O=C([O-])[C@@H](c1cccc(Cl)c1Cl)N1CCC[C@H](C(=O)[O-])C1 ZINC001608562033 1097954476 /nfs/dbraw/zinc/95/44/76/1097954476.db2.gz QTONCNPIOKHGGC-QPUJVOFHSA-N -2 3 332.183 2.916 20 0 EFADHL O=C([O-])/C=C\c1ccc(OCCOC(=O)c2ccc([O-])cc2)cc1 ZINC001608661793 1097980954 /nfs/dbraw/zinc/98/09/54/1097980954.db2.gz FRKLRXJQHUTQDV-KMKOMSMNSA-N -2 3 328.320 2.726 20 0 EFADHL O=C([O-])CC[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001608706445 1097995069 /nfs/dbraw/zinc/99/50/69/1097995069.db2.gz ABXGWERNLBZAJO-OAHLLOKOSA-N -2 3 331.343 2.796 20 0 EFADHL O=C([O-])c1cc([N-]C(=O)c2cc(-c3ccccc3Cl)on2)on1 ZINC001608855498 1098047016 /nfs/dbraw/zinc/04/70/16/1098047016.db2.gz RZSIRDDXHFAUST-UHFFFAOYSA-N -2 3 333.687 2.934 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)C[C@@H]2CCCCO2)c2ccccc12 ZINC001608905362 1098066314 /nfs/dbraw/zinc/06/63/14/1098066314.db2.gz TVZCNXCDGBQNCJ-LBPRGKRZSA-N -2 3 349.408 2.849 20 0 EFADHL O=C([O-])c1ccc2c(c1)CCN(C(=O)c1cc([O-])ccc1Cl)C2 ZINC001608921431 1098073249 /nfs/dbraw/zinc/07/32/49/1098073249.db2.gz RPXFVVARJHETPK-UHFFFAOYSA-N -2 3 331.755 2.942 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@H]1CCCC12CCCCC2 ZINC001608956416 1098090131 /nfs/dbraw/zinc/09/01/31/1098090131.db2.gz SOGIVMNQUXRBJW-LBPRGKRZSA-N -2 3 327.402 2.759 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1CCC(C2CCC2)CC1 ZINC001608956541 1098090612 /nfs/dbraw/zinc/09/06/12/1098090612.db2.gz XJHACYDIBONFMW-UHFFFAOYSA-N -2 3 327.402 2.615 20 0 EFADHL CC(=Cc1cc(F)c(F)cc1F)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001609060292 1098126519 /nfs/dbraw/zinc/12/65/19/1098126519.db2.gz HNZVCRPRGYEUQM-UTCJRWHESA-N -2 3 348.288 2.649 20 0 EFADHL CC(=Cc1cc(F)c(F)cc1F)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001609060292 1098126520 /nfs/dbraw/zinc/12/65/20/1098126520.db2.gz HNZVCRPRGYEUQM-UTCJRWHESA-N -2 3 348.288 2.649 20 0 EFADHL CC(C)(CCC(=O)[O-])Nc1ccc(C(F)(F)F)c(-c2nnn[n-]2)c1 ZINC001609082746 1098135265 /nfs/dbraw/zinc/13/52/65/1098135265.db2.gz BTOBOZKZGJXOKN-UHFFFAOYSA-N -2 3 343.309 2.941 20 0 EFADHL CC(C)(CCC(=O)[O-])Nc1ccc(C(F)(F)F)c(-c2nn[n-]n2)c1 ZINC001609082746 1098135269 /nfs/dbraw/zinc/13/52/69/1098135269.db2.gz BTOBOZKZGJXOKN-UHFFFAOYSA-N -2 3 343.309 2.941 20 0 EFADHL CCN(C(=O)c1ccc(-c2nn[n-]n2)c([O-])c1)c1cccc(C)c1C ZINC001609220389 1098211375 /nfs/dbraw/zinc/21/13/75/1098211375.db2.gz SMSXOVOCFVBRDB-UHFFFAOYSA-N -2 3 337.383 2.856 20 0 EFADHL Cc1c(C(=O)Nc2cc(F)cc(Cl)c2[O-])cccc1-c1nn[n-]n1 ZINC001609380927 1098275568 /nfs/dbraw/zinc/27/55/68/1098275568.db2.gz ZVNYIWYXANDPEA-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL O=C([O-])c1ccc2oc(C=Cc3ccc(-c4nnn[n-]4)cc3)nc2c1 ZINC001609573000 1098385440 /nfs/dbraw/zinc/38/54/40/1098385440.db2.gz SIDUWNXDVFVBBQ-FPYGCLRLSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])c1ccc2oc(C=Cc3ccc(-c4nn[n-]n4)cc3)nc2c1 ZINC001609573000 1098385447 /nfs/dbraw/zinc/38/54/47/1098385447.db2.gz SIDUWNXDVFVBBQ-FPYGCLRLSA-N -2 3 333.307 2.877 20 0 EFADHL O=C([O-])CCCc1ccccc1NCc1cc(-c2nnn[n-]2)cs1 ZINC001609572468 1098386062 /nfs/dbraw/zinc/38/60/62/1098386062.db2.gz ZANUGWFNXNWKNC-UHFFFAOYSA-N -2 3 343.412 2.948 20 0 EFADHL O=C([O-])CCCc1ccccc1NCc1cc(-c2nn[n-]n2)cs1 ZINC001609572468 1098386068 /nfs/dbraw/zinc/38/60/68/1098386068.db2.gz ZANUGWFNXNWKNC-UHFFFAOYSA-N -2 3 343.412 2.948 20 0 EFADHL O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1ccc([O-])c(Cl)c1 ZINC001609575810 1098386739 /nfs/dbraw/zinc/38/67/39/1098386739.db2.gz KKYFBNSSUDRZDD-UHFFFAOYSA-N -2 3 330.731 2.583 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cc1[O-] ZINC001609629006 1098409335 /nfs/dbraw/zinc/40/93/35/1098409335.db2.gz KJEQKJYRQZMOJA-GTNSWQLSSA-N -2 3 341.363 2.787 20 0 EFADHL CC(=O)c1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1[O-] ZINC001609630168 1098410319 /nfs/dbraw/zinc/41/03/19/1098410319.db2.gz POGUKRTXYWDWNU-UHFFFAOYSA-N -2 3 327.336 2.864 20 0 EFADHL CC(F)(F)C(=O)[N-][C@@H](CC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC001609755053 1098447572 /nfs/dbraw/zinc/44/75/72/1098447572.db2.gz VHCIOQCXAUEJGU-VIFPVBQESA-N -2 3 341.232 2.872 20 0 EFADHL CCC[C@H]1CCCC[C@H]1C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001609959213 1098507073 /nfs/dbraw/zinc/50/70/73/1098507073.db2.gz KKBWLHNZLNLORW-QWRGUYRKSA-N -2 3 346.474 2.726 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(C)c1 ZINC001610043646 1098528556 /nfs/dbraw/zinc/52/85/56/1098528556.db2.gz YDAONYYRDLVTNZ-UHFFFAOYSA-N -2 3 335.381 2.893 20 0 EFADHL COC(=O)Nc1ccc(C(=O)O[C@H](CC(C)(C)C)C(=O)[O-])cc1[O-] ZINC001610189613 1098563938 /nfs/dbraw/zinc/56/39/38/1098563938.db2.gz ACIGHVJEMMFESH-GFCCVEGCSA-N -2 3 339.344 2.617 20 0 EFADHL COc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC001610288168 1098604088 /nfs/dbraw/zinc/60/40/88/1098604088.db2.gz FKBDYXGEGQKUDR-XJKSGUPXSA-N -2 3 347.392 2.691 20 0 EFADHL Cc1c(C(=O)[O-])ccc(Cl)c1[N-]S(=O)(=O)c1cccnc1 ZINC001610411299 1098662387 /nfs/dbraw/zinc/66/23/87/1098662387.db2.gz MTTNENLGDCXBMT-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(C(=O)[O-])c2N)c(C)c1 ZINC001610452578 1098685334 /nfs/dbraw/zinc/68/53/34/1098685334.db2.gz IJYHJSMANQUFMG-UHFFFAOYSA-N -2 3 334.397 2.693 20 0 EFADHL Cc1ccc(-c2cc(C(=O)O[C@H](Cc3ccccc3)C(=O)[O-])n[n-]2)o1 ZINC001610479830 1098701633 /nfs/dbraw/zinc/70/16/33/1098701633.db2.gz RPXVWWGWYTVANM-MRXNPFEDSA-N -2 3 340.335 2.831 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC001610489200 1098708436 /nfs/dbraw/zinc/70/84/36/1098708436.db2.gz GUQIVOOSPVLMMO-UHFFFAOYSA-N -2 3 327.262 2.820 20 0 EFADHL Cc1nc(NC(=O)CCCc2ccc([O-])c(F)c2)sc1C(=O)[O-] ZINC001610557707 1098752715 /nfs/dbraw/zinc/75/27/15/1098752715.db2.gz IMDSHFAYJJDIDU-UHFFFAOYSA-N -2 3 338.360 2.956 20 0 EFADHL O=C([O-])[C@@H](NC(=O)c1cc([O-])c2ccccc2c1)c1ccc(O)cc1 ZINC001610679731 1098823493 /nfs/dbraw/zinc/82/34/93/1098823493.db2.gz KDBNTNXNPPXLNB-KRWDZBQOSA-N -2 3 337.331 2.807 20 0 EFADHL O=C([O-])[C@H](CC(F)(F)F)NCc1cccc([O-])c1Br ZINC001610716284 1098842673 /nfs/dbraw/zinc/84/26/73/1098842673.db2.gz YVJYLZCCJRVITG-ZETCQYMHSA-N -2 3 342.111 2.650 20 0 EFADHL O=C([O-])C[C@H]1CCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001610762736 1098871195 /nfs/dbraw/zinc/87/11/95/1098871195.db2.gz GGLGYWJTKAEGPZ-SNVBAGLBSA-N -2 3 337.759 2.591 20 0 EFADHL O=C([O-])C[C@@H]1CCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001610762735 1098872137 /nfs/dbraw/zinc/87/21/37/1098872137.db2.gz GGLGYWJTKAEGPZ-JTQLQIEISA-N -2 3 337.759 2.591 20 0 EFADHL O=C([O-])CCSc1ncccc1[N-]C(=O)c1coc(C2CC2)n1 ZINC001610777798 1098881725 /nfs/dbraw/zinc/88/17/25/1098881725.db2.gz JOWRTCYWLVMOHV-UHFFFAOYSA-N -2 3 333.369 2.766 20 0 EFADHL O=C([O-])c1cc(Cl)cc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)c1 ZINC001610811206 1098903356 /nfs/dbraw/zinc/90/33/56/1098903356.db2.gz VMVUASZMNGEHRL-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL O=C([O-])c1cc(Cl)cc(Cl)c1S(=O)(=O)[N-]CCCCF ZINC001610811807 1098905347 /nfs/dbraw/zinc/90/53/47/1098905347.db2.gz OWNYXUIXPJLKSV-UHFFFAOYSA-N -2 3 344.191 2.720 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H](c2ccccc2)C(F)F)s1 ZINC001610838005 1098925319 /nfs/dbraw/zinc/92/53/19/1098925319.db2.gz FZVMISPFNRDQSW-LLVKDONJSA-N -2 3 347.364 2.731 20 0 EFADHL O=C([O-])[C@H](OC(=O)c1cc(F)cc2n[n-]nc21)c1cccc(Cl)c1 ZINC001610876580 1098950572 /nfs/dbraw/zinc/95/05/72/1098950572.db2.gz WANLMBJUDRRVRI-CYBMUJFWSA-N -2 3 349.705 2.733 20 0 EFADHL COc1cc(C(=O)[N-]c2n[n-]c(SCc3ccc(C)cc3)n2)on1 ZINC001640572357 1101060249 /nfs/dbraw/zinc/06/02/49/1101060249.db2.gz QYMGMNGRZKNADX-UHFFFAOYSA-N -2 3 345.384 2.654 20 0 EFADHL O=P([O-])([O-])CCCCO[C@@H]1Cc2cccc(Br)c2C1 ZINC001225019230 1104250958 /nfs/dbraw/zinc/25/09/58/1104250958.db2.gz UXEPBDYFAGLELW-LLVKDONJSA-N -2 3 349.161 2.891 20 0 EFADHL CC(C)(CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000050196095 214049896 /nfs/dbraw/zinc/04/98/96/214049896.db2.gz UKERGRSODAVZFQ-UHFFFAOYSA-N -2 3 340.228 2.915 20 0 EFADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc([O-])c(F)cc2F)no1 ZINC000414395079 244131618 /nfs/dbraw/zinc/13/16/18/244131618.db2.gz LULMKVVUBJXYOC-UHFFFAOYSA-N -2 3 346.355 2.898 20 0 EFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc3ccoc3c2)c1 ZINC000442847561 250129715 /nfs/dbraw/zinc/12/97/15/250129715.db2.gz QLPDWWROYUDSAG-UHFFFAOYSA-N -3 3 333.321 2.637 20 0 EFADHL CCn1nc(C)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1C ZINC000443437863 250194554 /nfs/dbraw/zinc/19/45/54/250194554.db2.gz DGLFFKXVKPOHKV-VURMDHGXSA-N -2 3 330.388 2.511 20 0 EFADHL Cc1nc(C=Cc2ccc3c(c2)ncn3C)[n-]c(=O)c1CCC(=O)[O-] ZINC000443455696 250195971 /nfs/dbraw/zinc/19/59/71/250195971.db2.gz SKYIPHHDBJTDDO-DAXSKMNVSA-N -2 3 338.367 2.565 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(N[C@@H](CC(C)C)C(=O)[O-])nc2)n1 ZINC000263427729 141393626 /nfs/dbraw/zinc/39/36/26/141393626.db2.gz RTKRMSSMIMWRTL-ZDUSSCGKSA-N -2 3 330.388 2.718 20 0 EFADHL CCOc1cc(CN2CCC[C@H]2C(=O)[O-])cc(Br)c1[O-] ZINC000263445175 141394675 /nfs/dbraw/zinc/39/46/75/141394675.db2.gz XPZBQCYJAFSOQV-NSHDSACASA-N -2 3 344.205 2.602 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(-c3cc[nH]n3)cc2)c1 ZINC000342763426 145187284 /nfs/dbraw/zinc/18/72/84/145187284.db2.gz ZVONICSTNFWDOF-UHFFFAOYSA-N -2 3 345.380 2.592 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)c(F)c2)c1 ZINC000342774112 145189128 /nfs/dbraw/zinc/18/91/28/145189128.db2.gz DHXGTLOBNHJGLX-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3ncsc3c2)c1 ZINC000342781230 145191462 /nfs/dbraw/zinc/19/14/62/145191462.db2.gz NGLRAHBDZAWHST-UHFFFAOYSA-N -2 3 336.394 2.811 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2)c1 ZINC000342781043 145191625 /nfs/dbraw/zinc/19/16/25/145191625.db2.gz MCXZPLMUBXYSST-UHFFFAOYSA-N -2 3 333.287 2.619 20 0 EFADHL CCOC(=O)c1cnc(/C=C\c2cc([O-])cc(F)c2)c(C(=O)[O-])c1 ZINC000349102552 146053360 /nfs/dbraw/zinc/05/33/60/146053360.db2.gz LEXXOMBMTGKHQX-ARJAWSKDSA-N -2 3 331.299 2.972 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(OCCC(=O)[O-])cc2)cc1C ZINC000349110740 146054490 /nfs/dbraw/zinc/05/44/90/146054490.db2.gz UOHUGNSDALDNHA-UHFFFAOYSA-N -2 3 349.408 2.958 20 0 EFADHL COc1cccc(Cl)c1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000349113686 146054508 /nfs/dbraw/zinc/05/45/08/146054508.db2.gz SSGDZZLNKCABCC-SREVYHEPSA-N -2 3 334.759 2.950 20 0 EFADHL O=C(c1cc([O-])c2ccccc2c1)N1CCC[C@@H](c2n[n-]c(=O)o2)C1 ZINC000350828183 146094222 /nfs/dbraw/zinc/09/42/22/146094222.db2.gz FPNFSWOTFHMYQG-GFCCVEGCSA-N -2 3 339.351 2.654 20 0 EFADHL CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2cc(OC)ccc2[O-])c1C ZINC000359654330 148152749 /nfs/dbraw/zinc/15/27/49/148152749.db2.gz WDHDRLKFUHTXIS-SNVBAGLBSA-N -2 3 339.417 2.678 20 0 EFADHL O=C([N-]c1n[n-]c(-c2c(F)cccc2F)n1)c1cc(C2CC2)no1 ZINC000374551169 151368346 /nfs/dbraw/zinc/36/83/46/151368346.db2.gz RUCFLZGIUBPSJL-UHFFFAOYSA-N -2 3 331.282 2.868 20 0 EFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C[C@@H](C)C(=O)[O-])c1Cl ZINC000054334007 544453121 /nfs/dbraw/zinc/45/31/21/544453121.db2.gz WITRYCMXFALEGH-SSDOTTSWSA-N -2 3 340.228 2.609 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)c1[O-] ZINC000086170862 544514621 /nfs/dbraw/zinc/51/46/21/544514621.db2.gz NQPQAYNCYGWSHD-UHFFFAOYSA-N -2 3 325.361 2.660 20 0 EFADHL N#CCOc1ccc(C=CC(=O)[N-]N=c2cnc3ccccc3[n-]2)cc1 ZINC000163633448 544836200 /nfs/dbraw/zinc/83/62/00/544836200.db2.gz BKFUIVIUWBAUSQ-JXMROGBWSA-N -2 3 345.362 2.689 20 0 EFADHL C[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000273669329 273117546 /nfs/dbraw/zinc/11/75/46/273117546.db2.gz JFQSSLQLXVIOTM-HQJQHLMTSA-N -2 3 335.784 2.644 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)c1 ZINC000280659482 273352316 /nfs/dbraw/zinc/35/23/16/273352316.db2.gz XFVSGHOIVNONQZ-AULYBMBSSA-N -2 3 337.422 2.671 20 0 EFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000291012183 294246859 /nfs/dbraw/zinc/24/68/59/294246859.db2.gz VADQEGQLTNGUMR-JTQLQIEISA-N -2 3 345.364 2.546 20 0 EFADHL CC[C@H](C)CO[N-]C(=O)CCc1c(C)nc(-c2cccnc2)[n-]c1=O ZINC000293821785 295057061 /nfs/dbraw/zinc/05/70/61/295057061.db2.gz VCUOCWXYHBQNEY-LBPRGKRZSA-N -2 3 344.415 2.579 20 0 EFADHL O=C(c1ccccc1[O-])N1CCN(Cc2cccc([O-])c2Cl)CC1 ZINC000295348407 295304862 /nfs/dbraw/zinc/30/48/62/295304862.db2.gz NALFZOWALIGOBQ-UHFFFAOYSA-N -2 3 346.814 2.709 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)c1 ZINC000179514092 310788138 /nfs/dbraw/zinc/78/81/38/310788138.db2.gz CJEHABPYMLEHGX-UHFFFAOYSA-N -2 3 325.324 2.550 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c1F ZINC000313214588 311231419 /nfs/dbraw/zinc/23/14/19/311231419.db2.gz DTQTXJFSTAYCGS-NEPJUHHUSA-N -2 3 331.409 2.692 20 0 EFADHL C[C@H](CCC[C@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000316302356 311235133 /nfs/dbraw/zinc/23/51/33/311235133.db2.gz MGBGDSLIMMESAZ-VHSXEESVSA-N -2 3 335.372 2.523 20 0 EFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc2c1N=S=N2 ZINC000317308979 311235991 /nfs/dbraw/zinc/23/59/91/311235991.db2.gz BARWJEJVMQXKHM-JTQLQIEISA-N -2 3 343.430 2.581 20 0 EFADHL O=C([O-])[C@@H]1CCCCC[C@@H]1[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000317235978 311236022 /nfs/dbraw/zinc/23/60/22/311236022.db2.gz OBZDOGUFJUKDRT-KOLCDFICSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)ccc1F ZINC000320463813 311237643 /nfs/dbraw/zinc/23/76/43/311237643.db2.gz LTYHHARWPHRPMM-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL O=C([O-])CC1(C[N-]S(=O)(=O)c2ccc(F)cc2F)CCCCC1 ZINC000320462913 311237650 /nfs/dbraw/zinc/23/76/50/311237650.db2.gz ZQTLBAMAPDGDRY-UHFFFAOYSA-N -2 3 347.383 2.668 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1C ZINC000320307666 311237729 /nfs/dbraw/zinc/23/77/29/311237729.db2.gz LDKLGJJUCOJFGH-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2cc(C)ccc2C)c(C(=O)[O-])c1 ZINC000321603401 311238622 /nfs/dbraw/zinc/23/86/22/311238622.db2.gz RMHORORXZCCHCP-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CC(=O)c1ccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])cc1 ZINC000322348142 311239368 /nfs/dbraw/zinc/23/93/68/311239368.db2.gz DSSOQHLIHNXBSU-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL CC(C)(CCc1ccccc1)[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1 ZINC000322497410 311239442 /nfs/dbraw/zinc/23/94/42/311239442.db2.gz BQRIHHZBTNXRFN-UHFFFAOYSA-N -2 3 337.397 2.668 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c(F)c1 ZINC000333032240 311558946 /nfs/dbraw/zinc/55/89/46/311558946.db2.gz MMAUJOVEXLEDEQ-UHFFFAOYSA-N -2 3 327.377 2.525 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-]C2CCC3(CC3)CC2)c1 ZINC000333089206 311566379 /nfs/dbraw/zinc/56/63/79/311566379.db2.gz ZDYGQTRAQSSCPR-UHFFFAOYSA-N -2 3 341.404 2.833 20 0 EFADHL Cc1ccc([O-])c(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000432111192 312551439 /nfs/dbraw/zinc/55/14/39/312551439.db2.gz WFNQGTOYTNZHMH-OAHLLOKOSA-N -2 3 327.380 2.907 20 0 EFADHL COC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc([O-])cc(F)c2)cc1 ZINC000495544616 314751002 /nfs/dbraw/zinc/75/10/02/314751002.db2.gz VIKXUACCIKQALI-UHFFFAOYSA-N -2 3 340.332 2.510 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])co1)C(C)(C)c1ccccc1 ZINC000516567683 315686577 /nfs/dbraw/zinc/68/65/77/315686577.db2.gz VWXKXLDZILOAIX-LLVKDONJSA-N -2 3 337.397 2.622 20 0 EFADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]Cc2cc(C(=O)[O-])co2)s1 ZINC000526950922 316309730 /nfs/dbraw/zinc/30/97/30/316309730.db2.gz KWFURDJZGZQGFY-UHFFFAOYSA-N -2 3 343.426 2.815 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)cc1C(=O)[O-] ZINC000530152101 317064021 /nfs/dbraw/zinc/06/40/21/317064021.db2.gz KUKXGWFFZFCQRK-UHFFFAOYSA-N -2 3 337.344 2.533 20 0 EFADHL COc1cc(OC)c([N-]S(=O)(=O)CCC(C)(C)C)c(C(=O)[O-])c1 ZINC000531364765 317255723 /nfs/dbraw/zinc/25/57/23/317255723.db2.gz WNARCJJWPDNZKH-UHFFFAOYSA-N -2 3 345.417 2.580 20 0 EFADHL COc1c(C)cc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1C ZINC000543666035 317857920 /nfs/dbraw/zinc/85/79/20/317857920.db2.gz WJDMWLQOIDYCHK-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)CCC[C@@H](C)C(=O)[O-])c(F)cc1F ZINC000547608731 318021262 /nfs/dbraw/zinc/02/12/62/318021262.db2.gz KZMDQLCIIBPHID-KOLCDFICSA-N -2 3 349.399 2.831 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCO2 ZINC000547869493 318050526 /nfs/dbraw/zinc/05/05/26/318050526.db2.gz BWJMDXSIRNYJQV-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)c(F)c1 ZINC000547879033 318051087 /nfs/dbraw/zinc/05/10/87/318051087.db2.gz DMDLQUQCXCWQKL-LLVKDONJSA-N -2 3 331.409 2.549 20 0 EFADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1F)C(=O)[O-] ZINC000547936485 318053863 /nfs/dbraw/zinc/05/38/63/318053863.db2.gz KZMJGPFCHYHYEJ-ZWNOBZJWSA-N -2 3 331.409 2.692 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CCC(C)(C)CCC(=O)[O-])c(F)cc1F ZINC000547938742 318053973 /nfs/dbraw/zinc/05/39/73/318053973.db2.gz IOFMDBVPWNDTAT-UHFFFAOYSA-N -2 3 349.399 2.833 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-]C[C@@H](CC(=O)[O-])C(C)(C)C)cc1F ZINC000548529494 318117714 /nfs/dbraw/zinc/11/77/14/318117714.db2.gz RSQMEHTXGXJTST-SNVBAGLBSA-N -2 3 349.399 2.689 20 0 EFADHL CC[C@](C)(C[N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000548540874 318118757 /nfs/dbraw/zinc/11/87/57/318118757.db2.gz DEDWJPPBHSMGCY-OAHLLOKOSA-N -2 3 343.376 2.660 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000548554518 318119225 /nfs/dbraw/zinc/11/92/25/318119225.db2.gz QJGDJXSERNXIBT-UHFFFAOYSA-N -2 3 341.816 2.882 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)cc1F ZINC000548590568 318121184 /nfs/dbraw/zinc/12/11/84/318121184.db2.gz ZWWMMOMDOHRLOF-JTQLQIEISA-N -2 3 349.399 2.831 20 0 EFADHL C[C@H]1CCC[C@@]([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)(C(=O)[O-])C1 ZINC000548771487 318141999 /nfs/dbraw/zinc/14/19/99/318141999.db2.gz JZEDUFPTUFUFQH-XPTSAGLGSA-N -2 3 349.811 2.791 20 0 EFADHL CC1(C)CC[C@]([N-]S(=O)(=O)c2cc(F)ccc2Cl)(C(=O)[O-])C1 ZINC000551911907 318224873 /nfs/dbraw/zinc/22/48/73/318224873.db2.gz UENUOTOQIBILJI-CQSZACIVSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1nc(C=Cc2cc3c(c(Cl)c2)OCO3)[n-]c(=O)c1CC(=O)[O-] ZINC000552001508 318235565 /nfs/dbraw/zinc/23/55/65/318235565.db2.gz DBXIIYVGDCCWRU-IHWYPQMZSA-N -2 3 348.742 2.670 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@]2(C(=O)[O-])CCC[C@H](C)C2)cc1F ZINC000558589071 318476653 /nfs/dbraw/zinc/47/66/53/318476653.db2.gz XAULEWHVWJYENB-BJOHPYRUSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1cccc([O-])c1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000563931461 318830284 /nfs/dbraw/zinc/83/02/84/318830284.db2.gz PXEQBWMBAJQJBJ-UHFFFAOYSA-N -2 3 325.361 2.660 20 0 EFADHL CCC(CC)([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000563955783 318833209 /nfs/dbraw/zinc/83/32/09/318833209.db2.gz ZADVWRVNQCFYGC-UHFFFAOYSA-N -2 3 343.376 2.802 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]C2(Cc3ccccc3)CCCC2)c1 ZINC000566972028 319127411 /nfs/dbraw/zinc/12/74/11/319127411.db2.gz WNAQAGUPXASMDZ-UHFFFAOYSA-N -2 3 349.408 2.812 20 0 EFADHL C/C=C/C[C@@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000567163943 319144404 /nfs/dbraw/zinc/14/44/04/319144404.db2.gz HQOUPVAGTIFWKM-AAOUONPWSA-N -2 3 341.360 2.578 20 0 EFADHL CC(C)([N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000567794260 319212216 /nfs/dbraw/zinc/21/22/16/319212216.db2.gz RJDWBDXNPPAXCB-UHFFFAOYSA-N -2 3 333.818 2.696 20 0 EFADHL CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000567796790 319212470 /nfs/dbraw/zinc/21/24/70/319212470.db2.gz HONMJODAICTGQS-IUCAKERBSA-N -2 3 335.447 2.558 20 0 EFADHL O=S(=O)(CCCCF)[N-]c1ccc(Br)cc1[O-] ZINC000569315757 319368345 /nfs/dbraw/zinc/36/83/45/319368345.db2.gz NOXJDKUTYKVZEP-UHFFFAOYSA-N -2 3 326.187 2.646 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2CCCCC[C@H]2C(=O)[O-])c(F)cc1F ZINC000570146199 319447871 /nfs/dbraw/zinc/44/78/71/319447871.db2.gz BSJSLYITMPGDPJ-MFKMUULPSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]CCc2ccc(Cl)s2)cc1C(=O)[O-] ZINC000573321678 319754796 /nfs/dbraw/zinc/75/47/96/319754796.db2.gz WMFIDHJZGXDNCD-UHFFFAOYSA-N -2 3 349.817 2.522 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)[C@@H](C)C(=O)[O-] ZINC000574775162 319894196 /nfs/dbraw/zinc/89/41/96/319894196.db2.gz UBAZCPOIYRDCJS-NXEZZACHSA-N -2 3 341.816 2.881 20 0 EFADHL CCC[C@H](C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000577315424 320098370 /nfs/dbraw/zinc/09/83/70/320098370.db2.gz SRJVXYQYFSTTRT-SSDOTTSWSA-N -2 3 345.364 2.546 20 0 EFADHL CC[C@@H](C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000013311850 323210894 /nfs/dbraw/zinc/21/08/94/323210894.db2.gz JXKGXICFKNYZKI-NSHDSACASA-N -2 3 339.438 2.918 20 0 EFADHL CC[C@](C)(C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000211094008 323530678 /nfs/dbraw/zinc/53/06/78/323530678.db2.gz AWGNZURFPPYBNF-GFCCVEGCSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1ccccc1C[C@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000386660847 323762877 /nfs/dbraw/zinc/76/28/77/323762877.db2.gz FSLKTAVFPLBTRK-NSHDSACASA-N -2 3 339.438 2.664 20 0 EFADHL Cc1cnc(SC/C=C/CSc2ncc(C)c(=O)[n-]2)[n-]c1=O ZINC000580330496 324143944 /nfs/dbraw/zinc/14/39/44/324143944.db2.gz LQOGGGWYUOXZGP-ONEGZZNKSA-N -2 3 336.442 2.735 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)Cc2cccs2)cc1C(=O)[O-] ZINC000581427076 324375418 /nfs/dbraw/zinc/37/54/18/324375418.db2.gz BDSBFCZICOUMLM-VIFPVBQESA-N -2 3 343.426 2.505 20 0 EFADHL CCc1ccc([O-])c([N-]S(=O)(=O)CCc2ccc3c(c2)CCO3)c1 ZINC000582640685 324635854 /nfs/dbraw/zinc/63/58/54/324635854.db2.gz QWDQCDZWOQCNDJ-UHFFFAOYSA-N -2 3 347.436 2.874 20 0 EFADHL O=C([O-])c1cc([N-]S(=O)(=O)CCC(F)(F)F)ccc1Cl ZINC000171339616 473364633 /nfs/dbraw/zinc/36/46/33/473364633.db2.gz GUIHVULZRSCRBZ-UHFFFAOYSA-N -2 3 331.699 2.732 20 0 EFADHL COc1ccc(C(=O)N2[C@@H](C(=O)[O-])CC[C@H]2c2ccccc2)c([O-])c1 ZINC000622000298 479875998 /nfs/dbraw/zinc/87/59/98/479875998.db2.gz FQTIRHCWUGJOSM-JKSUJKDBSA-N -2 3 341.363 2.831 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCC1 ZINC000399223882 476881746 /nfs/dbraw/zinc/88/17/46/476881746.db2.gz WIPFRXMCHBOQNB-SNVBAGLBSA-N -2 3 338.212 2.525 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](C)CCC[C@H](C)C(=O)[O-])c(F)c1F ZINC000629295491 480204513 /nfs/dbraw/zinc/20/45/13/480204513.db2.gz QDRBWDXIFOLMCE-QWRGUYRKSA-N -2 3 349.399 2.831 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H](C)CCC[C@H](C)C(=O)[O-])c(F)c1F ZINC000629295492 480204700 /nfs/dbraw/zinc/20/47/00/480204700.db2.gz QDRBWDXIFOLMCE-WDEREUQCSA-N -2 3 349.399 2.831 20 0 EFADHL O=C([O-])Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000013267972 471823413 /nfs/dbraw/zinc/82/34/13/471823413.db2.gz YIKXJUBBNAJHOR-UHFFFAOYSA-N -2 3 345.420 2.993 20 0 EFADHL C[C@H](CCc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013306354 471825271 /nfs/dbraw/zinc/82/52/71/471825271.db2.gz YTYRHHMOFPDNOZ-LLVKDONJSA-N -2 3 339.438 2.746 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000013348942 471827729 /nfs/dbraw/zinc/82/77/29/471827729.db2.gz TZZZWEHOMXTQFQ-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL COCCc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2C(=O)[O-])cc1 ZINC000067124068 471994591 /nfs/dbraw/zinc/99/45/91/471994591.db2.gz DYTHXJPPVCXUSX-UHFFFAOYSA-N -2 3 349.408 2.683 20 0 EFADHL CC[C@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000036961355 472008396 /nfs/dbraw/zinc/00/83/96/472008396.db2.gz NQBNAUPDCGAHAA-WRWORJQWSA-N -2 3 340.228 2.771 20 0 EFADHL Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1C(=O)[O-] ZINC000055548580 472201816 /nfs/dbraw/zinc/20/18/16/472201816.db2.gz KVZOCCJMSDHBPL-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c(F)c1 ZINC000031666020 472387304 /nfs/dbraw/zinc/38/73/04/472387304.db2.gz RWZFRDNOMWVBLH-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2)cc1Cl ZINC000032585683 472443557 /nfs/dbraw/zinc/44/35/57/472443557.db2.gz FUPMFPMCTAZDHN-UHFFFAOYSA-N -2 3 341.772 2.848 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cc(C)cc(F)c2)ccc1[O-] ZINC000155017232 472497742 /nfs/dbraw/zinc/49/77/42/472497742.db2.gz KZAZASYMBJLAFG-UHFFFAOYSA-N -2 3 338.360 2.599 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1Cl)c1cccs1 ZINC000129769091 472564064 /nfs/dbraw/zinc/56/40/64/472564064.db2.gz QVLLWPMMOFMJCN-NSHDSACASA-N -2 3 349.792 2.645 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C(=O)[O-])cc1 ZINC000060360626 472647020 /nfs/dbraw/zinc/64/70/20/472647020.db2.gz MBWLJBXWFNEAPN-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL CC(C)(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000136743030 473175168 /nfs/dbraw/zinc/17/51/68/473175168.db2.gz MJSXRWKNTCDOLH-SNVBAGLBSA-N -2 3 337.800 2.647 20 0 EFADHL CC1CCN(S(=O)(=O)[N-]c2cc(Br)ccc2[O-])CC1 ZINC000094573778 473186443 /nfs/dbraw/zinc/18/64/43/473186443.db2.gz IELAXCRYIWFDQA-UHFFFAOYSA-N -2 3 349.250 2.543 20 0 EFADHL CCC(CC)(C[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000165040404 473505102 /nfs/dbraw/zinc/50/51/02/473505102.db2.gz QGOVFFBGMKYYNA-UHFFFAOYSA-N -2 3 337.800 2.648 20 0 EFADHL O=C([O-])[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc2ccccc2c1 ZINC000191474927 473544766 /nfs/dbraw/zinc/54/47/66/473544766.db2.gz DZDSVZYGKFAAFL-QGZVFWFLSA-N -2 3 346.346 2.667 20 0 EFADHL COc1ccc([O-])c(C(=O)N[C@@H](CCC(=O)[O-])Cc2ccccc2)c1 ZINC000262888224 473734272 /nfs/dbraw/zinc/73/42/72/473734272.db2.gz WQLZGFQPTYIDHD-AWEZNQCLSA-N -2 3 343.379 2.607 20 0 EFADHL CCC[C@@H](CCCC[N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000281875927 473867300 /nfs/dbraw/zinc/86/73/00/473867300.db2.gz WSLNHJGUDCRGKE-LBPRGKRZSA-N -2 3 348.490 2.709 20 0 EFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CCCCC(=O)[O-])c1Cl ZINC000274975810 474027432 /nfs/dbraw/zinc/02/74/32/474027432.db2.gz WYXWZLLICVCDGJ-UHFFFAOYSA-N -2 3 340.228 2.835 20 0 EFADHL C[C@H](CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)CC(=O)[O-] ZINC000274984108 474030411 /nfs/dbraw/zinc/03/04/11/474030411.db2.gz JZUVOSCXWVBHBY-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000275267413 474124760 /nfs/dbraw/zinc/12/47/60/474124760.db2.gz MWARQOOMFUZENC-MGCOHNPYSA-N -2 3 349.811 2.648 20 0 EFADHL C[C@H](CC(C)(C)[N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000275289769 474131653 /nfs/dbraw/zinc/13/16/53/474131653.db2.gz UAAZITCOJMAFON-SSDOTTSWSA-N -2 3 325.839 2.569 20 0 EFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000275326658 474144562 /nfs/dbraw/zinc/14/45/62/474144562.db2.gz TVSNVRMGCWWZNO-MGCOHNPYSA-N -2 3 349.811 2.648 20 0 EFADHL C[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000270531407 474157858 /nfs/dbraw/zinc/15/78/58/474157858.db2.gz VAOIYCFEZROFRR-ZETCQYMHSA-N -2 3 333.818 2.696 20 0 EFADHL CCc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c([O-])c1 ZINC000188963955 474247328 /nfs/dbraw/zinc/24/73/28/474247328.db2.gz ATYMFHSHYNPBQM-UHFFFAOYSA-N -2 3 343.408 2.525 20 0 EFADHL CCc1ccc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)c([O-])c1 ZINC000189061201 474278516 /nfs/dbraw/zinc/27/85/16/474278516.db2.gz UBAPOCAICZJNPJ-UHFFFAOYSA-N -2 3 334.397 2.578 20 0 EFADHL CC[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2F)C1 ZINC000237059762 474329842 /nfs/dbraw/zinc/32/98/42/474329842.db2.gz ZDMDWJWQBWJVBN-JQWIXIFHSA-N -2 3 329.393 2.771 20 0 EFADHL Cc1ccc(-c2nc([N-]C(=O)c3cc(COC(C)(C)C)on3)n[n-]2)o1 ZINC000184485064 474526913 /nfs/dbraw/zinc/52/69/13/474526913.db2.gz GKOFSBPAHBGIHW-UHFFFAOYSA-N -2 3 345.359 2.929 20 0 EFADHL O=C(Nc1ccc(Cl)cc1[O-])c1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000339008155 474828621 /nfs/dbraw/zinc/82/86/21/474828621.db2.gz OFORYYXIXNIDSB-UHFFFAOYSA-N -2 3 331.715 2.641 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c(F)c1 ZINC000315945765 474875933 /nfs/dbraw/zinc/87/59/33/474875933.db2.gz UJYOSSNINNQFHH-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1F ZINC000319459428 474900599 /nfs/dbraw/zinc/90/05/99/474900599.db2.gz BFZJIRWITATGSH-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1F ZINC000319527056 474901026 /nfs/dbraw/zinc/90/10/26/474901026.db2.gz CNEOAPPURAUUIA-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])ccc2C)c(C)c1 ZINC000320595922 474912855 /nfs/dbraw/zinc/91/28/55/474912855.db2.gz COLMFKVPUQSHGE-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)c(F)cc1F ZINC000320719501 474917770 /nfs/dbraw/zinc/91/77/70/474917770.db2.gz SGJAMXFAHCBLLT-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)c(C(=O)[O-])c1 ZINC000321880713 474932324 /nfs/dbraw/zinc/93/23/24/474932324.db2.gz RXBBJLFDMHJOPW-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)c1 ZINC000323333983 474946856 /nfs/dbraw/zinc/94/68/56/474946856.db2.gz NGUUADYGWJWIEK-UHFFFAOYSA-N -2 3 333.365 2.697 20 0 EFADHL CCOc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)cc1 ZINC000323771201 474955285 /nfs/dbraw/zinc/95/52/85/474955285.db2.gz ZMKWZAFINSOQOS-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL CCCOc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000324607181 474972195 /nfs/dbraw/zinc/97/21/95/474972195.db2.gz KTFGLQHZGLQTJF-UHFFFAOYSA-N -2 3 349.408 2.903 20 0 EFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccc(CC(=O)[O-])cc2)cc1 ZINC000325029681 474980926 /nfs/dbraw/zinc/98/09/26/474980926.db2.gz ITCLWZCHICJURT-UHFFFAOYSA-N -2 3 349.408 2.902 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000325006440 474981203 /nfs/dbraw/zinc/98/12/03/474981203.db2.gz BNGJJEUKDFGSPT-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000326622448 475008723 /nfs/dbraw/zinc/00/87/23/475008723.db2.gz NKVACTRANWKRAG-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL CC[C@H](C)[C@H]([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000261697061 475029826 /nfs/dbraw/zinc/02/98/26/475029826.db2.gz NRMFJLAQKPKETA-SDBXPKJASA-N -2 3 343.376 2.658 20 0 EFADHL O=C([O-])CCC[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000261720147 475038847 /nfs/dbraw/zinc/03/88/47/475038847.db2.gz QXXOMTLLYMBGFQ-UHFFFAOYSA-N -2 3 333.818 2.698 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-][C@@H](CC(C)C)C(=O)[O-] ZINC000261737481 475046251 /nfs/dbraw/zinc/04/62/51/475046251.db2.gz UEGMRBBGZAFJJX-LBPRGKRZSA-N -2 3 343.376 2.658 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-]C2CC(c3ccccc3)C2)c1 ZINC000273769301 475048278 /nfs/dbraw/zinc/04/82/78/475048278.db2.gz XFVSGHOIVNONQZ-UHFFFAOYSA-N -2 3 337.422 2.671 20 0 EFADHL CCCC[C@@H]([N-]S(=O)(=O)c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000261755525 475050741 /nfs/dbraw/zinc/05/07/41/475050741.db2.gz UIVVGVORZAELHO-SNVBAGLBSA-N -2 3 339.335 2.627 20 0 EFADHL O=C([N-]c1n[n-]c(-c2c(F)cccc2F)n1)c1snnc1C1CC1 ZINC000354629921 475302543 /nfs/dbraw/zinc/30/25/43/475302543.db2.gz CLFHVDYQXOUMNQ-UHFFFAOYSA-N -2 3 348.338 2.731 20 0 EFADHL CC[C@H](CC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000296855852 475507124 /nfs/dbraw/zinc/50/71/24/475507124.db2.gz CVPPYKIKEJPVAP-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL COCc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2C)c1 ZINC000338126557 475607844 /nfs/dbraw/zinc/60/78/44/475607844.db2.gz DTTWBFLSFIXXFH-UHFFFAOYSA-N -2 3 349.408 2.949 20 0 EFADHL CC[C@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000297237894 475670498 /nfs/dbraw/zinc/67/04/98/475670498.db2.gz PNNITLFHJRQNBK-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL O=C([O-])CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000297309908 475700649 /nfs/dbraw/zinc/70/06/49/475700649.db2.gz WDDJCRKCLSZMAT-YGRLFVJLSA-N -2 3 347.383 2.667 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(OC)c(C)cc2C)c1 ZINC000358490605 475720375 /nfs/dbraw/zinc/72/03/75/475720375.db2.gz AHLBZTRNQXYLJF-UHFFFAOYSA-N -2 3 337.397 2.827 20 0 EFADHL CCS[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000355477071 475970471 /nfs/dbraw/zinc/97/04/71/475970471.db2.gz YVQDQCYTFORCOD-MNOVXSKESA-N -2 3 349.499 2.789 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C)CC(=O)[O-] ZINC000340454610 476045815 /nfs/dbraw/zinc/04/58/15/476045815.db2.gz HADXGYLVYYDZFP-ZETCQYMHSA-N -2 3 331.777 2.536 20 0 EFADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000362222288 476085756 /nfs/dbraw/zinc/08/57/56/476085756.db2.gz UFXBLOGYOJIWNI-LBPRGKRZSA-N -2 3 335.372 2.523 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@@H]1CC2CCC1CC2 ZINC000381489625 476738219 /nfs/dbraw/zinc/73/82/19/476738219.db2.gz HBFNJYRAYLVLKQ-YUVKLTJASA-N -2 3 343.470 2.939 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@@H]1CC2CCC1CC2 ZINC000381489621 476739000 /nfs/dbraw/zinc/73/90/00/476739000.db2.gz HBFNJYRAYLVLKQ-PGHLRGPGSA-N -2 3 343.470 2.939 20 0 EFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000387699564 476773312 /nfs/dbraw/zinc/77/33/12/476773312.db2.gz OZWBECAESXGLJH-JSGCOSHPSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@]1(C(=O)[O-])CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000387581502 476773343 /nfs/dbraw/zinc/77/33/43/476773343.db2.gz MJRDOKCIBLVRFK-JSGCOSHPSA-N -2 3 349.811 2.791 20 0 EFADHL Cc1ccc(F)cc1S(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000388634839 476778938 /nfs/dbraw/zinc/77/89/38/476778938.db2.gz PNXKSZKHORFOQJ-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CC(C)[C@@H](C(=O)[O-])[C@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000399478956 476883218 /nfs/dbraw/zinc/88/32/18/476883218.db2.gz XCNSVBQNVVWTOT-QPUJVOFHSA-N -2 3 337.800 2.503 20 0 EFADHL CC(C)[C@H](C(=O)[O-])[C@@H](C)[N-]S(=O)(=O)c1ccc(F)cc1Cl ZINC000399478953 476883782 /nfs/dbraw/zinc/88/37/82/476883782.db2.gz XCNSVBQNVVWTOT-PELKAZGASA-N -2 3 337.800 2.503 20 0 EFADHL CC(C)(C)c1cc(CS(=O)(=O)[N-]c2cc(F)ccc2[O-])no1 ZINC000430977446 476955905 /nfs/dbraw/zinc/95/59/05/476955905.db2.gz WRQDUAQWZYYHAH-UHFFFAOYSA-N -2 3 328.365 2.759 20 0 EFADHL CC(=O)c1ccc(C(=O)N=c2nc(-c3ccccc3)[n-]s2)cc1[O-] ZINC000436600725 477529301 /nfs/dbraw/zinc/52/93/01/477529301.db2.gz HQFZURPRZIAKMR-UHFFFAOYSA-N -2 3 339.376 2.788 20 0 EFADHL Cc1ccc(C(=O)NCCC(=O)Nc2cc(Cl)ccc2[O-])c([O-])c1 ZINC000436662159 477550680 /nfs/dbraw/zinc/55/06/80/477550680.db2.gz IFBOIOQRNVMCDT-UHFFFAOYSA-N -2 3 348.786 2.818 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000436665010 477551015 /nfs/dbraw/zinc/55/10/15/477551015.db2.gz MZIQBTIQJXMULZ-UHFFFAOYSA-N -2 3 347.801 2.695 20 0 EFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2)c1 ZINC000436884823 477625583 /nfs/dbraw/zinc/62/55/83/477625583.db2.gz DOVQXKNRTOVSCQ-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1 ZINC000436893230 477627341 /nfs/dbraw/zinc/62/73/41/477627341.db2.gz NHRGREAGARKEQN-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL Cc1noc(C)c1C(=O)[N-]c1n[nH]c(-c2ccc([O-])c(Cl)c2)n1 ZINC000436988972 477658400 /nfs/dbraw/zinc/65/84/00/477658400.db2.gz MOCHUVIFVNGHBH-UHFFFAOYSA-N -2 3 333.735 2.688 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccccc2-c2cn[nH]c2)c1 ZINC000438811089 477887944 /nfs/dbraw/zinc/88/79/44/477887944.db2.gz LIAVXOADHWHWKF-UHFFFAOYSA-N -2 3 345.380 2.592 20 0 EFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000558642723 477902941 /nfs/dbraw/zinc/90/29/41/477902941.db2.gz BNEIPWTZISRYPS-SSDOTTSWSA-N -2 3 345.364 2.546 20 0 EFADHL Cc1ccc(F)c([N-]S(=O)(=O)c2cccc(F)c2)c1C(=O)[O-] ZINC000532647659 477964523 /nfs/dbraw/zinc/96/45/23/477964523.db2.gz FZPDRTORITYGJV-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1cc(F)ccc1[O-] ZINC000421143919 477978403 /nfs/dbraw/zinc/97/84/03/477978403.db2.gz BAWZPWIYIRWTNY-CQSZACIVSA-N -2 3 339.388 2.531 20 0 EFADHL CO[C@H](Cc1ccccc1)CS(=O)(=O)[N-]c1ccc(C)cc1[O-] ZINC000421145448 477981167 /nfs/dbraw/zinc/98/11/67/477981167.db2.gz XRXLAVUOKPNUFL-OAHLLOKOSA-N -2 3 335.425 2.700 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CC2(c3ccccc3)CCCC2)o1 ZINC000516864800 477999604 /nfs/dbraw/zinc/99/96/04/477999604.db2.gz HBPVJMPKANLBIW-UHFFFAOYSA-N -2 3 349.408 2.768 20 0 EFADHL Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C)c1 ZINC000517234100 478066948 /nfs/dbraw/zinc/06/69/48/478066948.db2.gz SKXYGEOTTDOXTK-GFCCVEGCSA-N -2 3 337.397 2.504 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)c(C(=O)[O-])c1 ZINC000517300817 478078201 /nfs/dbraw/zinc/07/82/01/478078201.db2.gz UBFMTACJNQHKDA-LLVKDONJSA-N -2 3 347.392 2.817 20 0 EFADHL CCc1ccc(S(=O)(=O)[N-]c2cc(CO)ccc2C)cc1C(=O)[O-] ZINC000440832866 478167861 /nfs/dbraw/zinc/16/78/61/478167861.db2.gz MORVAGHMCCXISM-UHFFFAOYSA-N -2 3 349.408 2.549 20 0 EFADHL C[C@]1(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CCCc2ccccc21 ZINC000518971991 478201714 /nfs/dbraw/zinc/20/17/14/478201714.db2.gz FKYHNEDGPMHZJB-QGZVFWFLSA-N -2 3 349.408 2.550 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cccc([O-])c2F)cc1Cl ZINC000536610902 478262391 /nfs/dbraw/zinc/26/23/91/478262391.db2.gz UABJANCTWGZKCU-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1sc(C(=O)[O-])cc1OC ZINC000570512028 478375805 /nfs/dbraw/zinc/37/58/05/478375805.db2.gz FIPLUDZEVUZRTN-VHSXEESVSA-N -2 3 347.458 2.702 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cncc3ccccc32)c1 ZINC000539398601 478412635 /nfs/dbraw/zinc/41/26/35/478412635.db2.gz MKIYZELOGGIDHB-UHFFFAOYSA-N -2 3 330.365 2.750 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1 ZINC000581724371 478429609 /nfs/dbraw/zinc/42/96/09/478429609.db2.gz ZEVVLMSTOAZQNU-NQBHXWOUSA-N -2 3 327.402 2.615 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)ccc2Cl)c1 ZINC000540498860 478479513 /nfs/dbraw/zinc/47/95/13/478479513.db2.gz PMFIPKJEURJVKI-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H](CCC(=O)[O-])c2ccccc2)c1 ZINC000564711931 478792391 /nfs/dbraw/zinc/79/23/91/478792391.db2.gz SCCRPMYOGQSEHK-ZDUSSCGKSA-N -2 3 339.438 2.941 20 0 EFADHL C[C@H]1CCN(Cc2cccc([O-])c2Br)C[C@H]1C(=O)[O-] ZINC000564970602 478872354 /nfs/dbraw/zinc/87/23/54/478872354.db2.gz GIOPFCBWQMTXKR-GXSJLCMTSA-N -2 3 328.206 2.697 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc([C@H]3CCOC3)cc2)c1 ZINC000573196872 479012584 /nfs/dbraw/zinc/01/25/84/479012584.db2.gz NFFOVWNOURXARD-ZDUSSCGKSA-N -2 3 349.408 2.706 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@H]2C)cc1C(=O)[O-] ZINC000584111217 479017917 /nfs/dbraw/zinc/01/79/17/479017917.db2.gz RAOQFIBGPVZLKZ-QLJPJBMISA-N -2 3 349.408 2.888 20 0 EFADHL Cc1cc(C)c(C(=O)[O-])c([N-]S(=O)(=O)CC2(C#N)CCCC2)c1 ZINC000547557198 479119342 /nfs/dbraw/zinc/11/93/42/479119342.db2.gz LHPHKQFTXNGMEA-UHFFFAOYSA-N -2 3 336.413 2.827 20 0 EFADHL COc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]CCCC(C)(C)C ZINC000569719292 479163208 /nfs/dbraw/zinc/16/32/08/479163208.db2.gz BTYZPHWKDIDYDR-UHFFFAOYSA-N -2 3 347.408 2.637 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@@H](c2ccccc2)[C@H](C)C(=O)[O-])c1 ZINC000556703152 479177862 /nfs/dbraw/zinc/17/78/62/479177862.db2.gz NVXZCOXJIVFWNE-SMDDNHRTSA-N -2 3 339.438 2.797 20 0 EFADHL Cc1nc(C=Cc2cnc(-c3ccccc3)nc2)[n-]c(=O)c1CC(=O)[O-] ZINC000556777617 479203248 /nfs/dbraw/zinc/20/32/48/479203248.db2.gz PLHGSMQEMLUHIW-BQYQJAHWSA-N -2 3 348.362 2.745 20 0 EFADHL Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)cc1 ZINC000574200504 479239677 /nfs/dbraw/zinc/23/96/77/479239677.db2.gz TXLKAHNBTDCNQV-NSHDSACASA-N -2 3 339.438 2.837 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1ccc(C(=O)[O-])o1)C(C)(C)c1ccccc1 ZINC000574635477 479320169 /nfs/dbraw/zinc/32/01/69/479320169.db2.gz NKQVBLKSIPJIKH-NSHDSACASA-N -2 3 337.397 2.622 20 0 EFADHL CC(C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc2ccccc2c1F ZINC000576240366 479573094 /nfs/dbraw/zinc/57/30/94/479573094.db2.gz GSWWZNQPVYMVPC-UHFFFAOYSA-N -2 3 325.361 2.511 20 0 EFADHL O=c1cc(CSc2nc(C(F)F)cc(=O)[n-]2)nc(C2CC2)[n-]1 ZINC000576248180 479574366 /nfs/dbraw/zinc/57/43/66/479574366.db2.gz SZTOXUOPCGZGRT-UHFFFAOYSA-N -2 3 326.328 2.785 20 0 EFADHL CCOC(=O)c1ncc(NC(=O)c2ccc3ccccc3c2[O-])[n-]1 ZINC000618920087 479636202 /nfs/dbraw/zinc/63/62/02/479636202.db2.gz QYHNOEMUHNIVTQ-UHFFFAOYSA-N -2 3 325.324 2.698 20 0 EFADHL CCOC(=O)c1nc(NC(=O)c2ccc3ccccc3c2[O-])c[n-]1 ZINC000618920087 479636207 /nfs/dbraw/zinc/63/62/07/479636207.db2.gz QYHNOEMUHNIVTQ-UHFFFAOYSA-N -2 3 325.324 2.698 20 0 EFADHL CCO[C@@H](CS(=O)(=O)[N-]c1ccc(C(=O)[O-])c(Cl)c1)C1CC1 ZINC000629287389 480199588 /nfs/dbraw/zinc/19/95/88/480199588.db2.gz MZYZDUPMUZGTRD-ZDUSSCGKSA-N -2 3 347.820 2.595 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@]2(C)C(=O)[O-])c(F)c1F ZINC000629296067 480204783 /nfs/dbraw/zinc/20/47/83/480204783.db2.gz DDUAVARGGMFFBY-XHDPSFHLSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@H](C)CCCCC(=O)[O-])c(F)c1F ZINC000629295471 480205069 /nfs/dbraw/zinc/20/50/69/480205069.db2.gz PLCQCIYYTVHYMY-SNVBAGLBSA-N -2 3 335.372 2.585 20 0 EFADHL C[C@H]1CN(Cc2cccc([O-])c2Br)CC[C@@H]1C(=O)[O-] ZINC000629773297 480399882 /nfs/dbraw/zinc/39/98/82/480399882.db2.gz OABPJFAXSIUJKP-ONGXEEELSA-N -2 3 328.206 2.697 20 0 EFADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cc(Cl)ccc1[O-] ZINC000636317363 480904068 /nfs/dbraw/zinc/90/40/68/480904068.db2.gz DOZDCSGYHJCTDJ-UHFFFAOYSA-N -2 3 333.775 2.739 20 0 EFADHL O=C([N-]c1nnc([C@H]2CCCO2)s1)c1c(F)ccc([O-])c1F ZINC000636357552 480916128 /nfs/dbraw/zinc/91/61/28/480916128.db2.gz GRWJIVVJBRNJGC-MRVPVSSYSA-N -2 3 327.312 2.626 20 0 EFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccccc1Cl)c1cccs1 ZINC000650238524 480953465 /nfs/dbraw/zinc/95/34/65/480953465.db2.gz DHQNLCLYSQIAON-JTQLQIEISA-N -2 3 345.829 2.896 20 0 EFADHL Cc1cccc2cc(S(=O)(=O)[N-]CCCCC(=O)[O-])sc21 ZINC000645938542 480977385 /nfs/dbraw/zinc/97/73/85/480977385.db2.gz FXXKMHOZKHTHCP-UHFFFAOYSA-N -2 3 327.427 2.743 20 0 EFADHL Cc1ccc(CCC[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C)c1 ZINC000645945541 480983521 /nfs/dbraw/zinc/98/35/21/480983521.db2.gz GLJGHJUNHSHVMJ-UHFFFAOYSA-N -2 3 337.397 2.506 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(C)o1)C1CCCCC1 ZINC000645961669 480991791 /nfs/dbraw/zinc/99/17/91/480991791.db2.gz SVWBPCLAXWDVMF-ZDUSSCGKSA-N -2 3 329.418 2.923 20 0 EFADHL CC[C@@H]([N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-])c1nccs1 ZINC000645975668 480999090 /nfs/dbraw/zinc/99/90/90/480999090.db2.gz RBVQFSOKKBZECR-SNVBAGLBSA-N -2 3 340.426 2.579 20 0 EFADHL CC[C@H](C[N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC000646060424 481051371 /nfs/dbraw/zinc/05/13/71/481051371.db2.gz PMNPYXFZCIJXID-SNVBAGLBSA-N -2 3 327.427 2.599 20 0 EFADHL CCOc1cc(C(=O)Nc2[nH][n-]c3cc(=O)ccc2-3)cc(Cl)c1[O-] ZINC000647797257 481111413 /nfs/dbraw/zinc/11/14/13/481111413.db2.gz FRQSXDGSEZCDAF-UHFFFAOYSA-N -2 3 347.758 3.279 20 0 EFADHL O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000653309665 481219591 /nfs/dbraw/zinc/21/95/91/481219591.db2.gz JBCPRWCWCALEBV-JGVFFNPUSA-N -2 3 328.162 2.594 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1ccc([C@H](C)CC(=O)[O-])cc1)C(C)C ZINC000647130256 481652766 /nfs/dbraw/zinc/65/27/66/481652766.db2.gz KQVAALLQCXFALK-DOMZBBRYSA-N -2 3 343.445 2.678 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1ccc2ccccc2c1F)C1CCC1 ZINC000654770207 482044776 /nfs/dbraw/zinc/04/47/76/482044776.db2.gz QRYYOELWYXFAJF-OAHLLOKOSA-N -2 3 337.372 2.511 20 0 EFADHL CCc1nc(S(=O)(=O)[N-]c2cccc([O-])c2F)cn1CC1CC1 ZINC000663257578 482140163 /nfs/dbraw/zinc/14/01/63/482140163.db2.gz NMDDHOXNBVPNMP-UHFFFAOYSA-N -2 3 339.392 2.501 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)c2cccs2)oc1C(=O)[O-] ZINC000663422284 482224661 /nfs/dbraw/zinc/22/46/61/482224661.db2.gz IZNJAAMHVDJIRB-UHFFFAOYSA-N -2 3 329.399 2.561 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000663423024 482224715 /nfs/dbraw/zinc/22/47/15/482224715.db2.gz QOVXLEGGFJLYBC-RYUDHWBXSA-N -2 3 337.397 2.757 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]C2CCC(C3CCC3)CC2)o1 ZINC000663432942 482234028 /nfs/dbraw/zinc/23/40/28/482234028.db2.gz WOCGFBFBWOESQU-UHFFFAOYSA-N -2 3 327.402 2.615 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1ccccc1 ZINC000236755146 519267770 /nfs/dbraw/zinc/26/77/70/519267770.db2.gz DLEZXSFOZYMNKZ-UHFFFAOYSA-N -2 3 339.438 2.702 20 0 EFADHL Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000072003600 525794737 /nfs/dbraw/zinc/79/47/37/525794737.db2.gz OIFFCCZFUXIBOY-UHFFFAOYSA-N -2 3 345.298 2.911 20 0 EFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000159660364 526689381 /nfs/dbraw/zinc/68/93/81/526689381.db2.gz KEPYBCVYHHVBHA-NSHDSACASA-N -2 3 337.800 2.647 20 0 EFADHL O=C([O-])C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Cl)cc1 ZINC000117107053 527626319 /nfs/dbraw/zinc/62/63/19/527626319.db2.gz IBPYOYOLKZIYBN-CYBMUJFWSA-N -2 3 344.758 2.557 20 0 EFADHL CCOc1cc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)ccc1OC ZINC000347425955 535661928 /nfs/dbraw/zinc/66/19/28/535661928.db2.gz YQLHSERXLFZLAW-VURMDHGXSA-N -2 3 344.367 2.695 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C)C(F)F ZINC000414323380 535927805 /nfs/dbraw/zinc/92/78/05/535927805.db2.gz INHGISPBCPAUJZ-VIFPVBQESA-N -2 3 341.763 2.669 20 0 EFADHL COc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1Cl ZINC000349114893 536613069 /nfs/dbraw/zinc/61/30/69/536613069.db2.gz VTGVXOIDQBTVAB-XQRVVYSFSA-N -2 3 334.759 2.950 20 0 EFADHL COc1ccc(NC(=O)c2nc[n-]c2C(=O)c2ccccc2)c([O-])c1 ZINC000356850750 546098570 /nfs/dbraw/zinc/09/85/70/546098570.db2.gz OTEMTLMQPJIOAF-UHFFFAOYSA-N -2 3 337.335 2.607 20 0 EFADHL COc1ccc(NC(=O)c2[n-]cnc2C(=O)c2ccccc2)c([O-])c1 ZINC000356850750 546098573 /nfs/dbraw/zinc/09/85/73/546098573.db2.gz OTEMTLMQPJIOAF-UHFFFAOYSA-N -2 3 337.335 2.607 20 0 EFADHL C[C@H]1CCCN1C(=O)c1ccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)cc1 ZINC000436928520 546232930 /nfs/dbraw/zinc/23/29/30/546232930.db2.gz RVNUDRWFQDKBMV-LBPRGKRZSA-N -2 3 349.390 2.920 20 0 EFADHL C[C@H](CC(F)(F)F)CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000656509435 546824947 /nfs/dbraw/zinc/82/49/47/546824947.db2.gz SRDSHFNWYLUIHZ-SSDOTTSWSA-N -2 3 343.298 2.854 20 0 EFADHL C[C@H](CC(F)(F)F)CS(=O)(=O)[N-]c1c(F)cccc1C(=O)[O-] ZINC000656510148 546825195 /nfs/dbraw/zinc/82/51/95/546825195.db2.gz ICRPWVGLMYZBBI-SSDOTTSWSA-N -2 3 343.298 2.854 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1cccc(C)c1C(=O)[O-])C1CCCC1 ZINC000656623997 546866670 /nfs/dbraw/zinc/86/66/70/546866670.db2.gz XLWFFILQFICATE-CQSZACIVSA-N -2 3 341.429 2.640 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1cc(F)ccc1[O-])C1CCCCC1 ZINC000656623279 546867368 /nfs/dbraw/zinc/86/73/68/546867368.db2.gz DKDRQZTXAGCGLI-OAHLLOKOSA-N -2 3 331.409 2.868 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1cccc([O-])c1F)C1CCCCC1 ZINC000656627227 546867671 /nfs/dbraw/zinc/86/76/71/546867671.db2.gz VNDMZWHVUNQWON-AWEZNQCLSA-N -2 3 331.409 2.868 20 0 EFADHL CC1(C)[C@H](CCC(=O)[O-])C[C@@H]1[N-]S(=O)(=O)c1cc(F)cc(F)c1 ZINC000657143484 547044186 /nfs/dbraw/zinc/04/41/86/547044186.db2.gz XCNJRYYPEYQYLK-RNCFNFMXSA-N -2 3 347.383 2.523 20 0 EFADHL CCOc1cc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc(Cl)c1O ZINC000670369922 547473528 /nfs/dbraw/zinc/47/35/28/547473528.db2.gz KQIMCJTZOORMBI-ONEGZZNKSA-N -2 3 336.731 2.809 20 0 EFADHL O=C([O-])c1cnc(C=Cc2csc(-c3ccccn3)n2)[n-]c1=O ZINC000670370194 547473793 /nfs/dbraw/zinc/47/37/93/547473793.db2.gz LWSJEAIUDLRDKJ-SNAWJCMRSA-N -2 3 326.337 2.569 20 0 EFADHL CCCOc1ccc(C=Cc2ncc(C(=O)[O-])c(=O)[n-]2)cc1OC ZINC000670369968 547474359 /nfs/dbraw/zinc/47/43/59/547474359.db2.gz NUEHQBSPPASLJE-FNORWQNLSA-N -2 3 330.340 2.848 20 0 EFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc(C3CC3)cc2)cc1 ZINC000678477939 548937321 /nfs/dbraw/zinc/93/73/21/548937321.db2.gz CUNKJULBHKXLHW-UHFFFAOYSA-N -2 3 347.392 2.828 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)CC(=O)[O-] ZINC000681576757 549569419 /nfs/dbraw/zinc/56/94/19/549569419.db2.gz VZEGYUZMSYTUAU-UHFFFAOYSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CCCCCCC(=O)[O-])c(F)cc1F ZINC000760104326 575980465 /nfs/dbraw/zinc/98/04/65/575980465.db2.gz KMHYIPCXXNASTA-UHFFFAOYSA-N -2 3 335.372 2.587 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-]C2CCCCCC2)cc1C(=O)[O-] ZINC000761238263 576134834 /nfs/dbraw/zinc/13/48/34/576134834.db2.gz PEIDQLLMRCDUKC-UHFFFAOYSA-N -2 3 329.393 2.833 20 0 EFADHL CC1(C)Cc2ccc(C(=O)Nc3cccc(CC(=O)[O-])c3)c([O-])c2O1 ZINC000737734189 577308072 /nfs/dbraw/zinc/30/80/72/577308072.db2.gz WFLFBUYDWWPKFE-UHFFFAOYSA-N -2 3 341.363 2.985 20 0 EFADHL CSc1nc([N-]S(=O)(=O)C=Cc2cccc(Cl)c2)n[n-]1 ZINC000768858654 577310961 /nfs/dbraw/zinc/31/09/61/577310961.db2.gz REEWJAGIRNPAKN-WAYWQWQTSA-N -2 3 330.822 2.593 20 0 EFADHL Cc1cc(Cl)cc(NC(=O)c2ccc3n[n-]c(=S)n3c2)c1[O-] ZINC000774419301 581491169 /nfs/dbraw/zinc/49/11/69/581491169.db2.gz MPUMXPHHYBHPTF-UHFFFAOYSA-N -2 3 334.788 2.938 20 0 EFADHL O=C([O-])[C@@H](NCc1nc2c3ccccc3oc2c(=O)[n-]1)c1ccccc1 ZINC000739504498 599759494 /nfs/dbraw/zinc/75/94/94/599759494.db2.gz KEMRTDFLFBECRA-HNNXBMFYSA-N -2 3 349.346 2.997 20 0 EFADHL Cc1ccc(C(C)(C)C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000738551603 599779729 /nfs/dbraw/zinc/77/97/29/599779729.db2.gz LAIBIFKAGOCIRX-UHFFFAOYSA-N -2 3 337.397 2.542 20 0 EFADHL O=C([O-])c1cc(F)ccc1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000740291262 600114426 /nfs/dbraw/zinc/11/44/26/600114426.db2.gz UKMUHADNWFBMDX-UHFFFAOYSA-N -2 3 330.271 2.864 20 0 EFADHL O=C([O-])c1cc(F)ccc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000740291262 600114429 /nfs/dbraw/zinc/11/44/29/600114429.db2.gz UKMUHADNWFBMDX-UHFFFAOYSA-N -2 3 330.271 2.864 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)C2=Cc3ccccc3CC2)c1O ZINC000740227737 600177233 /nfs/dbraw/zinc/17/72/33/600177233.db2.gz RLNRQIBVYKTBCL-UHFFFAOYSA-N -2 3 345.376 2.819 20 0 EFADHL O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccccc1[O-] ZINC000739720202 600204720 /nfs/dbraw/zinc/20/47/20/600204720.db2.gz LCSIRGHPCIZFAI-UHFFFAOYSA-N -2 3 335.306 2.788 20 0 EFADHL C[C@@]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)(C(=O)[O-])C1CC1 ZINC000037463758 600239976 /nfs/dbraw/zinc/23/99/76/600239976.db2.gz QSTGRMRGZWXXJG-LBPRGKRZSA-N -2 3 338.212 2.525 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(CN(C)C(=O)[O-])cc2)cc1 ZINC000738654676 600301493 /nfs/dbraw/zinc/30/14/93/600301493.db2.gz FGGFTAOAXPAADJ-UHFFFAOYSA-N -2 3 334.397 2.906 20 0 EFADHL O=C([O-])c1coc(CO[N-]C(=O)Cc2cccc3ccccc32)c1 ZINC000739346467 600428571 /nfs/dbraw/zinc/42/85/71/600428571.db2.gz XLXZNRMBFSPFIK-UHFFFAOYSA-N -2 3 325.320 2.922 20 0 EFADHL O=C([O-])[C@H]1CCCN1Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000739591621 600437588 /nfs/dbraw/zinc/43/75/88/600437588.db2.gz HYFUFTMDCKLJDC-SNVBAGLBSA-N -2 3 345.380 2.706 20 0 EFADHL CC(C)(C)c1nc(C(=O)[N-]c2nnc(CCC(=O)[O-])s2)cs1 ZINC000736304334 600632055 /nfs/dbraw/zinc/63/20/55/600632055.db2.gz ZDYSYYFLKXIYBV-UHFFFAOYSA-N -2 3 340.430 2.562 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc(N(C)C(=O)[O-])cc1 ZINC000832794530 601197828 /nfs/dbraw/zinc/19/78/28/601197828.db2.gz HYWUZCXHMPPJJS-UHFFFAOYSA-N -2 3 348.384 2.579 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)c2cccc(Cl)c2)cc1C(=O)[O-] ZINC000833027577 601214730 /nfs/dbraw/zinc/21/47/30/601214730.db2.gz HCRVBVPIXZYWSV-QMMMGPOBSA-N -2 3 343.788 2.979 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]C[C@@H](C)c2cccc(C)c2)cc1C(=O)[O-] ZINC000832966304 601222856 /nfs/dbraw/zinc/22/28/56/601222856.db2.gz MMPHKPYVBHJANW-LLVKDONJSA-N -2 3 337.397 2.677 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1C(=O)[O-] ZINC000833028726 601223853 /nfs/dbraw/zinc/22/38/53/601223853.db2.gz PFBCIGTWNZGMFK-QJPTWQEYSA-N -2 3 327.402 2.533 20 0 EFADHL C[C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@H]1C ZINC000320024251 601227856 /nfs/dbraw/zinc/22/78/56/601227856.db2.gz OYTYNBQJDABTJG-YWVKMMECSA-N -2 3 347.383 2.766 20 0 EFADHL C[C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000314548097 601229836 /nfs/dbraw/zinc/22/98/36/601229836.db2.gz VBPVPYCBAPEADM-IUCAKERBSA-N -2 3 333.356 2.520 20 0 EFADHL C[C@H]1CCC[C@H](C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)C1 ZINC000323606744 601232502 /nfs/dbraw/zinc/23/25/02/601232502.db2.gz SCZAMFYWINTXLZ-UWVGGRQHSA-N -2 3 347.383 2.768 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]c2c(F)cc(F)cc2F)cc1C(=O)[O-] ZINC000833027560 601233969 /nfs/dbraw/zinc/23/39/69/601233969.db2.gz WDVDQVQOPYPINN-UHFFFAOYSA-N -2 3 335.259 2.504 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)C1CCCCC1 ZINC000322082069 601237744 /nfs/dbraw/zinc/23/77/44/601237744.db2.gz GRGSQGLMOLECEK-VIFPVBQESA-N -2 3 347.383 2.910 20 0 EFADHL CC[C@H](C)C[C@H](C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000316011409 601239046 /nfs/dbraw/zinc/23/90/46/601239046.db2.gz RXRYROPNNPPJHI-IUCAKERBSA-N -2 3 335.372 2.766 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)ccc1F ZINC000315486633 601329740 /nfs/dbraw/zinc/32/97/40/601329740.db2.gz ATIWUISOXFANJX-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)/C=C/c2ccc(F)cc2)c1O ZINC000776459940 601331498 /nfs/dbraw/zinc/33/14/98/601331498.db2.gz HRGZMANPPLEUKA-CMDGGOBGSA-N -2 3 337.328 2.642 20 0 EFADHL O=C([O-])Cc1csc([N-]C(=O)c2c(F)c(F)cc(F)c2F)n1 ZINC000238116725 601449490 /nfs/dbraw/zinc/44/94/90/601449490.db2.gz MDFFMTJJVDCLSH-UHFFFAOYSA-N -2 3 334.250 2.579 20 0 EFADHL CC[C@@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000828671543 601478873 /nfs/dbraw/zinc/47/88/73/601478873.db2.gz FGNJSVNUCAVLLQ-LBPRGKRZSA-N -2 3 340.228 2.915 20 0 EFADHL O=C([O-])C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CC1 ZINC000137203350 601574552 /nfs/dbraw/zinc/57/45/52/601574552.db2.gz JBUWCROYBSEZSM-SNVBAGLBSA-N -2 3 338.212 2.525 20 0 EFADHL C[C@@H]1CN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])C[C@@H]1C(=O)[O-] ZINC000828386080 601801079 /nfs/dbraw/zinc/80/10/79/601801079.db2.gz KZAGUZFNJHUJNW-WBMJQRKESA-N -2 3 341.363 2.977 20 0 EFADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(F)cc1F ZINC000828804464 601836011 /nfs/dbraw/zinc/83/60/11/601836011.db2.gz OCBXCHAJLNJJCP-UHFFFAOYSA-N -2 3 335.372 2.585 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2(CC(=O)[O-])CCCCC2)c(F)cc1F ZINC000832902875 601836428 /nfs/dbraw/zinc/83/64/28/601836428.db2.gz OIILQBHYALPQOR-UHFFFAOYSA-N -2 3 347.383 2.729 20 0 EFADHL Cc1nc(C(C)C)[n-]c(=O)c1C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000325940451 601876627 /nfs/dbraw/zinc/87/66/27/601876627.db2.gz XVJKDYFWISBIAW-UHFFFAOYSA-N -2 3 333.319 2.704 20 0 EFADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000828803950 601882287 /nfs/dbraw/zinc/88/22/87/601882287.db2.gz DWZSYYGTTJTGRE-UHFFFAOYSA-N -2 3 335.372 2.585 20 0 EFADHL CC(C)c1csc(C[N-]S(=O)(=O)c2csc(C(=O)[O-])c2)n1 ZINC000827144077 602009991 /nfs/dbraw/zinc/00/99/91/602009991.db2.gz BADDATNTMIUPGN-UHFFFAOYSA-N -2 3 346.455 2.505 20 0 EFADHL CCOC(=O)c1ccc(NC(=O)c2cccc(NC(=O)[O-])c2)c([O-])c1 ZINC000737154866 603156922 /nfs/dbraw/zinc/15/69/22/603156922.db2.gz FBCYZCOGDSMCCB-UHFFFAOYSA-N -2 3 344.323 2.911 20 0 EFADHL O=C([O-])N1CCN(C(=O)c2cc(Oc3ccccc3)ccc2[O-])CC1 ZINC000738645761 603193859 /nfs/dbraw/zinc/19/38/59/603193859.db2.gz WFCFLOHIKCJCRL-UHFFFAOYSA-N -2 3 342.351 2.620 20 0 EFADHL Cc1noc(C(F)(F)F)c1C(=O)[N-]c1nc(CCC(=O)[O-])cs1 ZINC000833021994 604737215 /nfs/dbraw/zinc/73/72/15/604737215.db2.gz WRZORIULXPXWRI-UHFFFAOYSA-N -2 3 349.290 2.728 20 0 EFADHL C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCC[C@H]1C(=O)[O-] ZINC000833570549 604808216 /nfs/dbraw/zinc/80/82/16/604808216.db2.gz HDUZHWJKXWRIIB-HZMBPMFUSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCC[C@H]1C(=O)[O-] ZINC000833570550 604808444 /nfs/dbraw/zinc/80/84/44/604808444.db2.gz HDUZHWJKXWRIIB-IINYFYTJSA-N -2 3 349.811 2.791 20 0 EFADHL CC(C)(C)[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000833424592 605193835 /nfs/dbraw/zinc/19/38/35/605193835.db2.gz KQWCKHQAJYJNMO-NEPJUHHUSA-N -2 3 329.418 2.861 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@]2(C)CCCC[C@H]2C(=O)[O-])cc1F ZINC000833744803 605246331 /nfs/dbraw/zinc/24/63/31/605246331.db2.gz PKNJTGZUNAYPGU-ZUZCIYMTSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2ccc(NC(=O)[O-])c(F)c2)c(=O)[n-]1 ZINC000833755010 605276508 /nfs/dbraw/zinc/27/65/08/605276508.db2.gz VEAKXDPNTZDNGQ-UHFFFAOYSA-N -2 3 348.334 2.599 20 0 EFADHL Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1-c1nn[n-]n1 ZINC000826267462 608106961 /nfs/dbraw/zinc/10/69/61/608106961.db2.gz HCPBWCZLWUOLJR-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL O=C(NCc1cc(=O)[n-]c(C2CCC2)n1)c1cccc(Cl)c1[O-] ZINC000825305127 1278499305 /nfs/dbraw/zinc/49/93/05/1278499305.db2.gz SBJNQNPNBKVSGN-UHFFFAOYSA-N -2 3 333.775 2.739 20 0 EFADHL Cc1c(Cl)cc(S(=O)(=O)[N-][C@@H](C)C(F)(F)F)cc1C(=O)[O-] ZINC000871962946 1287376966 /nfs/dbraw/zinc/37/69/66/1287376966.db2.gz JLLNPBPXRNWKJH-LURJTMIESA-N -2 3 345.726 2.576 20 0 EFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-]CC[C@H](C)C(=O)[O-])c1Cl ZINC000776589372 1299682345 /nfs/dbraw/zinc/68/23/45/1299682345.db2.gz KUQSNUNISCXHDX-QMMMGPOBSA-N -2 3 340.228 2.691 20 0 EFADHL O=C(NCCCCP(=O)([O-])[O-])C1c2ccccc2-c2ccccc21 ZINC001181916314 1290000449 /nfs/dbraw/zinc/00/04/49/1290000449.db2.gz WSUMGPLEIKWOLN-UHFFFAOYSA-N -2 3 345.335 2.873 20 0 EFADHL Cc1ccc(S(=O)(=O)Nc2cccc([O-])c2Cl)cc1C(=O)[O-] ZINC001184696639 1290494409 /nfs/dbraw/zinc/49/44/09/1290494409.db2.gz ICNKISPNNJUTTH-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ncc(F)cc2Cl)ccc1F ZINC001186143818 1290874893 /nfs/dbraw/zinc/87/48/93/1290874893.db2.gz KCRJZLDYBYMLEF-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL CCOC(=O)c1ncc(NC(=O)c2ccc([O-])c(C(F)(F)F)c2)[n-]1 ZINC001188571830 1291413219 /nfs/dbraw/zinc/41/32/19/1291413219.db2.gz FWACFYXDGWYIST-UHFFFAOYSA-N -2 3 343.261 2.563 20 0 EFADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(C)=O)c([O-])c2)c1 ZINC001189232703 1291626737 /nfs/dbraw/zinc/62/67/37/1291626737.db2.gz RJLVJSZUZQUPLM-UHFFFAOYSA-N -2 3 333.365 2.598 20 0 EFADHL O=S(=O)([N-][C@@H]1[CH]CC=C1)c1cc(Br)ccc1Cl ZINC001189773476 1291851532 /nfs/dbraw/zinc/85/15/32/1291851532.db2.gz KXEBDEMAAFROKI-VIFPVBQESA-N -2 3 335.630 2.914 20 0 EFADHL O=S(=O)([N-]c1cc([O-])c(F)cc1F)c1cc(F)cc(F)c1F ZINC001190387856 1292141958 /nfs/dbraw/zinc/14/19/58/1292141958.db2.gz MRHVBPYEJQNYSH-UHFFFAOYSA-N -2 3 339.241 2.889 20 0 EFADHL O=C(Nc1cc(=O)n(-c2ccccc2)[n-]1)c1c([O-])ccc(F)c1F ZINC001192729865 1293001359 /nfs/dbraw/zinc/00/13/59/1293001359.db2.gz MVSWTRIAEUBDBV-UHFFFAOYSA-N -2 3 331.278 2.814 20 0 EFADHL O=C([O-])COc1ccc(S(=O)(=O)[N-]c2ccc3occc3c2)cc1 ZINC001192728217 1293001599 /nfs/dbraw/zinc/00/15/99/1293001599.db2.gz AMHUJXNEGVLGJM-UHFFFAOYSA-N -2 3 347.348 2.697 20 0 EFADHL COC(=O)c1cc([O-])c(F)cc1NC(=O)c1c(F)ccc(F)c1[O-] ZINC001192716427 1293020181 /nfs/dbraw/zinc/02/01/81/1293020181.db2.gz ODIPAWPPHVUQSM-UHFFFAOYSA-N -2 3 341.241 2.554 20 0 EFADHL COC(=O)c1cc([O-])c(F)cc1NC(=O)c1ccc(F)c(F)c1[O-] ZINC001192811828 1293059628 /nfs/dbraw/zinc/05/96/28/1293059628.db2.gz ZBGXORDTOPAEHI-UHFFFAOYSA-N -2 3 341.241 2.554 20 0 EFADHL CC(=O)c1cccc([N-]S(=O)(=O)Cc2noc3ccccc32)c1[O-] ZINC001194094558 1293529756 /nfs/dbraw/zinc/52/97/56/1293529756.db2.gz GWTKGLWHBIUAKH-UHFFFAOYSA-N -2 3 346.364 2.678 20 0 EFADHL COc1ccc2cc([C@@H](C)Oc3[n-]c(=O)nc4cn[n-]c43)ccc2c1 ZINC001233940217 1313022115 /nfs/dbraw/zinc/02/21/15/1313022115.db2.gz TVSADWQTFNTHEF-SNVBAGLBSA-N -2 3 336.351 2.948 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F)C1CCCC1 ZINC001195253781 1293862757 /nfs/dbraw/zinc/86/27/57/1293862757.db2.gz DSODJOWIGJOQML-QMMMGPOBSA-N -2 3 333.356 2.520 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])c(Cl)n1 ZINC001198740950 1295214609 /nfs/dbraw/zinc/21/46/09/1295214609.db2.gz KPFSKJWKBRFLPZ-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3ccc([O-])cc3F)nc2)no1 ZINC001206044255 1313396453 /nfs/dbraw/zinc/39/64/53/1313396453.db2.gz GWWFQZYYQMXPGY-UHFFFAOYSA-N -2 3 349.343 2.691 20 0 EFADHL O=C([O-])c1c(Cl)ccc(-c2ccc(Cc3nnn[n-]3)cc2)c1F ZINC001236164296 1313449511 /nfs/dbraw/zinc/44/95/11/1313449511.db2.gz LBHGZJMNPODKAE-UHFFFAOYSA-N -2 3 332.722 2.948 20 0 EFADHL O=C([O-])c1c(Cl)ccc(-c2ccc(Cc3nn[n-]n3)cc2)c1F ZINC001236164296 1313449513 /nfs/dbraw/zinc/44/95/13/1313449513.db2.gz LBHGZJMNPODKAE-UHFFFAOYSA-N -2 3 332.722 2.948 20 0 EFADHL Cc1ccc(C(=O)[N-][N-]S(=O)(=O)c2ccccc2C(C)(C)C)o1 ZINC000084461471 1298789276 /nfs/dbraw/zinc/78/92/76/1298789276.db2.gz WVNMJCTVZUKXDM-UHFFFAOYSA-N -2 3 336.413 2.509 20 0 EFADHL CC(C)(C)NC(=O)Nc1c([O-])cc(S(=O)(=O)[O-])c2ccccc21 ZINC001202479479 1299291579 /nfs/dbraw/zinc/29/15/79/1299291579.db2.gz XUULYKIUFAXQDF-UHFFFAOYSA-N -2 3 338.385 2.712 20 0 EFADHL Cc1cccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccncc2[O-])c1 ZINC000109889151 1299348258 /nfs/dbraw/zinc/34/82/58/1299348258.db2.gz TTYJTRJVMZTLKK-UHFFFAOYSA-N -2 3 341.396 2.655 20 0 EFADHL COc1ccc(-c2nnn[n-]2)cc1-c1cc(F)c(C(=O)[O-])c(F)c1 ZINC001239351337 1313927873 /nfs/dbraw/zinc/92/78/73/1313927873.db2.gz FGQPLLZKOCAQNB-UHFFFAOYSA-N -2 3 332.266 2.519 20 0 EFADHL COc1ccc(-c2nn[n-]n2)cc1-c1cc(F)c(C(=O)[O-])c(F)c1 ZINC001239351337 1313927876 /nfs/dbraw/zinc/92/78/76/1313927876.db2.gz FGQPLLZKOCAQNB-UHFFFAOYSA-N -2 3 332.266 2.519 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(-c3cc([O-])cc(F)c3)nc2)no1 ZINC001241263105 1314106114 /nfs/dbraw/zinc/10/61/14/1314106114.db2.gz YBSOXIRABPVHBK-UHFFFAOYSA-N -2 3 349.343 2.691 20 0 EFADHL O=C([O-])c1cc(C(=O)[O-])cc(-c2cc(C(F)(F)F)[n-]c(=S)n2)c1 ZINC001242160546 1314186243 /nfs/dbraw/zinc/18/62/43/1314186243.db2.gz LEPAMYDALWWQEQ-UHFFFAOYSA-N -3 3 344.270 2.848 20 0 EFADHL COC(=O)c1nc2nc(-c3cc(C(=O)[O-])cc(F)c3C)ccc2[n-]1 ZINC001242211970 1314192701 /nfs/dbraw/zinc/19/27/01/1314192701.db2.gz YGLZWDKDTGKVPR-UHFFFAOYSA-N -2 3 329.287 2.557 20 0 EFADHL COC(=O)c1nc2ccc(-c3cc(C(=O)[O-])cc(F)c3C)[n-]c-2n1 ZINC001242211970 1314192703 /nfs/dbraw/zinc/19/27/03/1314192703.db2.gz YGLZWDKDTGKVPR-UHFFFAOYSA-N -2 3 329.287 2.557 20 0 EFADHL COC(=O)[N-]C(=S)N(c1ccccc1N)c1ccc(F)cc1[O-] ZINC001210020657 1314272610 /nfs/dbraw/zinc/27/26/10/1314272610.db2.gz LFFITWFQVZMCIJ-UHFFFAOYSA-N -2 3 335.360 2.893 20 0 EFADHL O=P([O-])([O-])CCOC1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001224606215 1311412542 /nfs/dbraw/zinc/41/25/42/1311412542.db2.gz MTAIZXVDYUNHRK-UHFFFAOYSA-N -2 3 347.351 2.655 20 0 EFADHL CC(C)C1(C(C)C)OC[C@@H](CCOCCCCP(=O)([O-])[O-])O1 ZINC001225018856 1311465226 /nfs/dbraw/zinc/46/52/26/1311465226.db2.gz JTHFQYDMZICPST-CQSZACIVSA-N -2 3 338.381 2.775 20 0 EFADHL CO[C@@H](C)CCOc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121188 1311902504 /nfs/dbraw/zinc/90/25/04/1311902504.db2.gz AMCFJOMICJDZSA-NSHDSACASA-N -2 3 332.352 2.838 20 0 EFADHL CCO[C@H](C)COc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121713 1311902920 /nfs/dbraw/zinc/90/29/20/1311902920.db2.gz GYIKLHRATIIAHH-LLVKDONJSA-N -2 3 332.352 2.838 20 0 EFADHL O=C([O-])c1cc(Nc2cc(=O)[n-]c(=S)[nH]2)cc(C(F)(F)F)c1 ZINC001215641024 1314862808 /nfs/dbraw/zinc/86/28/08/1314862808.db2.gz CUCLEHABLRVBQM-UHFFFAOYSA-N -2 3 331.275 2.932 20 0 EFADHL CN(C)c1nc(Nc2cc(C(=O)[O-])cc(C(F)(F)F)c2)cc(=O)[n-]1 ZINC001215641626 1314862844 /nfs/dbraw/zinc/86/28/44/1314862844.db2.gz SATNJEUYSHROBK-UHFFFAOYSA-N -2 3 342.277 2.709 20 0 EFADHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)c([O-])c2)cc1 ZINC001252044249 1315407976 /nfs/dbraw/zinc/40/79/76/1315407976.db2.gz SPNOCEZZPOZSQP-UHFFFAOYSA-N -2 3 348.424 2.589 20 0 EFADHL Cc1nnc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2[O-])o1 ZINC001253471259 1315608092 /nfs/dbraw/zinc/60/80/92/1315608092.db2.gz XEBSKBZQFYEVON-UHFFFAOYSA-N -2 3 331.353 2.551 20 0 EFADHL COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ncc([O-])cc1Cl ZINC001258932744 1316193748 /nfs/dbraw/zinc/19/37/48/1316193748.db2.gz HUSRFAQRSHRRCE-UHFFFAOYSA-N -2 3 349.195 2.903 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CCC1 ZINC001259225691 1316222024 /nfs/dbraw/zinc/22/20/24/1316222024.db2.gz CAYDICBBMBPREA-ZETCQYMHSA-N -2 3 335.784 2.644 20 0 EFADHL COC(=O)c1ccc([O-])cc1[N-]S(=O)(=O)c1cc(C)cc(C)c1 ZINC001259524983 1316256571 /nfs/dbraw/zinc/25/65/71/1316256571.db2.gz TWJBZLPVGJJFIF-UHFFFAOYSA-N -2 3 335.381 2.596 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2ccnc(C3CCC3)c2)c1 ZINC001260184236 1316320710 /nfs/dbraw/zinc/32/07/10/1316320710.db2.gz DDERORWDAKWHCM-UHFFFAOYSA-N -2 3 332.381 2.848 20 0 EFADHL CCN(C)c1ccc([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC001260191611 1316321652 /nfs/dbraw/zinc/32/16/52/1316321652.db2.gz BTKKWLLKMLDJMJ-UHFFFAOYSA-N -2 3 334.397 2.642 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)c(F)c2F)cc1 ZINC001260228397 1316324757 /nfs/dbraw/zinc/32/47/57/1316324757.db2.gz WISIWMQYGWMXOS-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL O=S(=O)([N-]c1cc([O-])c(F)cc1F)c1c(F)cc(F)cc1F ZINC001260353772 1316333922 /nfs/dbraw/zinc/33/39/22/1316333922.db2.gz HNUUCXJSVAQSGN-UHFFFAOYSA-N -2 3 339.241 2.889 20 0 EFADHL Cc1cc(C)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1C ZINC001260399701 1316337331 /nfs/dbraw/zinc/33/73/31/1316337331.db2.gz ZMYWBNCSTRRKNL-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1Cl ZINC001260399147 1316337350 /nfs/dbraw/zinc/33/73/50/1316337350.db2.gz XZHWSLRXKWJBES-UHFFFAOYSA-N -2 3 341.772 2.853 20 0 EFADHL Cc1cc([N-]C(=O)CSCc2ccc(-c3nn[n-]n3)cc2)sn1 ZINC000822208228 1429064503 /nfs/dbraw/zinc/06/45/03/1429064503.db2.gz HNSUPXVDNZYHOG-UHFFFAOYSA-N -2 3 346.441 2.504 20 0 EFADHL Cc1cc([N-]C(=O)CSCc2ccc(-c3nnn[n-]3)cc2)sn1 ZINC000822208228 1429064510 /nfs/dbraw/zinc/06/45/10/1429064510.db2.gz HNSUPXVDNZYHOG-UHFFFAOYSA-N -2 3 346.441 2.504 20 0 EFADHL Cc1ccc(F)c(-n2cc([O-])c(C(=O)Nc3nc(C)ccc3[O-])n2)c1 ZINC001568295745 1416469040 /nfs/dbraw/zinc/46/90/40/1416469040.db2.gz CJUQDSIIHAQINO-UHFFFAOYSA-N -2 3 342.330 2.687 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(-c3nn[n-]n3)ccc2C)c(C)c1 ZINC000737362159 1426201554 /nfs/dbraw/zinc/20/15/54/1426201554.db2.gz OMIUWJXCUYUKCZ-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cc(-c3nnn[n-]3)ccc2C)c(C)c1 ZINC000737362159 1426201564 /nfs/dbraw/zinc/20/15/64/1426201564.db2.gz OMIUWJXCUYUKCZ-UHFFFAOYSA-N -2 3 343.412 2.593 20 0 EFADHL Cc1nc([N-]C(=O)CCCc2nn[n-]n2)sc1-c1ccccc1 ZINC000874090457 1426687708 /nfs/dbraw/zinc/68/77/08/1426687708.db2.gz CVJJLMFGQIYJPF-UHFFFAOYSA-N -2 3 328.401 2.593 20 0 EFADHL Cc1nc([N-]C(=O)CCCc2nnn[n-]2)sc1-c1ccccc1 ZINC000874090457 1426687711 /nfs/dbraw/zinc/68/77/11/1426687711.db2.gz CVJJLMFGQIYJPF-UHFFFAOYSA-N -2 3 328.401 2.593 20 0 EFADHL O=C(OCc1cc(F)ccc1-c1nn[n-]n1)c1cccc(Cl)c1[O-] ZINC000826464920 1442071123 /nfs/dbraw/zinc/07/11/23/1442071123.db2.gz RPZSYKPMCCGWOC-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(OCc1cc(F)ccc1-c1nnn[n-]1)c1cccc(Cl)c1[O-] ZINC000826464920 1442071125 /nfs/dbraw/zinc/07/11/25/1442071125.db2.gz RPZSYKPMCCGWOC-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL C[C@@H]1C[C@H]1c1ccc(CCC(=O)[N-]c2ncc(-c3nn[n-]n3)s2)o1 ZINC000820673998 1450481197 /nfs/dbraw/zinc/48/11/97/1450481197.db2.gz AKZDITXTVHDXEM-PSASIEDQSA-N -2 3 344.400 2.611 20 0 EFADHL C[C@@H]1C[C@H]1c1ccc(CCC(=O)[N-]c2ncc(-c3nnn[n-]3)s2)o1 ZINC000820673998 1450481203 /nfs/dbraw/zinc/48/12/03/1450481203.db2.gz AKZDITXTVHDXEM-PSASIEDQSA-N -2 3 344.400 2.611 20 0 EFADHL CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000326858395 715287034 /nfs/dbraw/zinc/28/70/34/715287034.db2.gz SOVDMWCFYKCUIK-GFCCVEGCSA-N -2 3 342.395 2.903 20 0 EFADHL Cc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1F ZINC000320653273 724499419 /nfs/dbraw/zinc/49/94/19/724499419.db2.gz GXULRKGGBQUJLH-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL O=C([O-])[C@H]1CC12CCN(C(=O)c1cc([O-])cc(C(F)(F)F)c1)CC2 ZINC000908651120 727235233 /nfs/dbraw/zinc/23/52/33/727235233.db2.gz BKLTYDPZHOCKNA-GFCCVEGCSA-N -2 3 343.301 2.738 20 0 EFADHL O=C([O-])[C@@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000909294962 727356851 /nfs/dbraw/zinc/35/68/51/727356851.db2.gz SPCNBIDZWGRLJQ-HNNXBMFYSA-N -2 3 345.370 2.839 20 0 EFADHL CC(C)[C@](C)(CC(=O)[O-])NC(=O)c1cc([O-])cc(Br)c1 ZINC000909688575 727367130 /nfs/dbraw/zinc/36/71/30/727367130.db2.gz OGENECAIRWCUAU-AWEZNQCLSA-N -2 3 344.205 2.774 20 0 EFADHL C[C@H](NC(=O)Cc1ccc([O-])c(F)c1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000909820969 727384051 /nfs/dbraw/zinc/38/40/51/727384051.db2.gz RHAPIHXHZUMAAY-WFASDCNBSA-N -2 3 345.370 2.522 20 0 EFADHL CC[C@@](CNC(=O)Cc1ccc([O-])c(F)c1)(C(=O)[O-])c1ccccc1 ZINC000909844302 727389192 /nfs/dbraw/zinc/38/91/92/727389192.db2.gz DMWJLPCKPCPSIL-IBGZPJMESA-N -2 3 345.370 2.623 20 0 EFADHL O=C([O-])[C@H](CNC(=O)c1cc([O-])cc(C(F)(F)F)c1)CC1CC1 ZINC000909883198 727391912 /nfs/dbraw/zinc/39/19/12/727391912.db2.gz QEBYTZAZPUHBKO-JTQLQIEISA-N -2 3 331.290 2.642 20 0 EFADHL CC(=O)c1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H]3CCCC[C@@H]32)cc1[O-] ZINC000909963674 727399712 /nfs/dbraw/zinc/39/97/12/727399712.db2.gz ZUZOCBFIDNTQTN-JYJNAYRXSA-N -2 3 345.395 2.700 20 0 EFADHL O=C([O-])[C@H](C[C@@H]1CCCOC1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000910244068 727422994 /nfs/dbraw/zinc/42/29/94/727422994.db2.gz OHLQYKOWHDHAQQ-LRDDRELGSA-N -2 3 343.379 2.545 20 0 EFADHL CCc1cc(=O)[n-]c(-c2ccc(N(CCC(=O)[O-])CC(C)C)nc2)n1 ZINC000910408892 727438778 /nfs/dbraw/zinc/43/87/78/727438778.db2.gz KEWVJLVRRFYEPY-UHFFFAOYSA-N -2 3 344.415 2.744 20 0 EFADHL COc1ccc(NC(=O)c2c[n-]c3ccccc3c2=O)c(C(=O)[O-])c1 ZINC000327043825 971360000 /nfs/dbraw/zinc/36/00/00/971360000.db2.gz NVPBMROWFPGHNU-UHFFFAOYSA-N -2 3 338.319 2.900 20 0 EFADHL CCCCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])[C@@H](C)C2)c([O-])c1 ZINC001589652422 949785044 /nfs/dbraw/zinc/78/50/44/949785044.db2.gz BCEKBHGCGIRYLB-JSGCOSHPSA-N -2 3 335.400 2.754 20 0 EFADHL CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000324841566 951076149 /nfs/dbraw/zinc/07/61/49/951076149.db2.gz CIWPZSQJUAMZEN-SFHVURJKSA-N -2 3 328.368 2.657 20 0 EFADHL O=C([O-])CCCCC(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001595034808 951394067 /nfs/dbraw/zinc/39/40/67/951394067.db2.gz PDQGJAUSTQQVNI-UHFFFAOYSA-N -2 3 328.328 2.801 20 0 EFADHL CCc1ccc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)c([O-])c1 ZINC001593635244 953606039 /nfs/dbraw/zinc/60/60/39/953606039.db2.gz IVCJUDCMMBFVBU-JKSUJKDBSA-N -2 3 325.364 2.998 20 0 EFADHL O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1cc(Cc2ccccc2)ccc1[O-] ZINC001594794610 953704922 /nfs/dbraw/zinc/70/49/22/953704922.db2.gz MJAHSLWISHFDQX-GASCZTMLSA-N -2 3 325.364 2.576 20 0 EFADHL C[C@H](CC(C)(C)C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000384779066 971957253 /nfs/dbraw/zinc/95/72/53/971957253.db2.gz VWAUIMCQPWMUJQ-MRVPVSSYSA-N -2 3 335.372 2.766 20 0 EFADHL CC(C)C[C@@H](CNC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700711009 954869777 /nfs/dbraw/zinc/86/97/77/954869777.db2.gz RELUIJGZLQRSNQ-JTQLQIEISA-N -2 3 344.205 2.631 20 0 EFADHL CC(C)C[C@H](CNC(=O)c1cc([O-])cc(Br)c1)C(=O)[O-] ZINC000700711012 954870760 /nfs/dbraw/zinc/87/07/60/954870760.db2.gz RELUIJGZLQRSNQ-SNVBAGLBSA-N -2 3 344.205 2.631 20 0 EFADHL CC(C)(C)CN(CC(=O)[O-])C(=O)c1cc([O-])cc(Br)c1 ZINC000700743079 954871103 /nfs/dbraw/zinc/87/11/03/954871103.db2.gz LCYUZMJYPXPOJK-UHFFFAOYSA-N -2 3 344.205 2.728 20 0 EFADHL O=C([O-])c1ccc(CNC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC001594685829 956712215 /nfs/dbraw/zinc/71/22/15/956712215.db2.gz XMWLZGZKBXBAJY-UHFFFAOYSA-N -2 3 331.343 2.869 20 0 EFADHL CC1(C)C[C@@]1(C(=O)[O-])C(=O)Nc1n[n-]c(-c2cc3ccccc3o2)n1 ZINC001589218945 956750219 /nfs/dbraw/zinc/75/02/19/956750219.db2.gz VSRJCTQFHOOTFG-KRWDZBQOSA-N -2 3 340.339 2.657 20 0 EFADHL CC(C)C[C@H](C)[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000037264641 957267837 /nfs/dbraw/zinc/26/78/37/957267837.db2.gz CNEQTEADAJHOKK-QMMMGPOBSA-N -2 3 337.800 2.890 20 0 EFADHL C[C@@H]1CN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC[C@H]1C(=O)[O-] ZINC001331755338 957732342 /nfs/dbraw/zinc/73/23/42/957732342.db2.gz NRZPUWQPDYNRQE-GHMZBOCLSA-N -2 3 341.367 2.624 20 0 EFADHL CON(C(=O)c1cc(Oc2ccccc2)ccc1[O-])[C@H](C)C(=O)[O-] ZINC001594038206 957835116 /nfs/dbraw/zinc/83/51/16/957835116.db2.gz UPXKLCNOBONEAS-LLVKDONJSA-N -2 3 331.324 2.661 20 0 EFADHL Cc1ccnc(Cl)c1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000088188865 958046778 /nfs/dbraw/zinc/04/67/78/958046778.db2.gz NSGZHTRYXFGMDT-UHFFFAOYSA-N -2 3 326.761 2.542 20 0 EFADHL C[C@@H](C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F)C1CC1 ZINC000124812667 958547650 /nfs/dbraw/zinc/54/76/50/958547650.db2.gz VFRPTLMRLPQAQB-ZETCQYMHSA-N -2 3 335.784 2.502 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])CC(C)C)c(F)c1F ZINC001594380105 958617793 /nfs/dbraw/zinc/61/77/93/958617793.db2.gz XNQLCKYSUXDOJM-NSHDSACASA-N -2 3 349.399 2.689 20 0 EFADHL Cc1nc(C)c(CCC(=O)Nc2ccc(Cl)cc2C(=O)[O-])c(=O)[n-]1 ZINC000391842923 972381661 /nfs/dbraw/zinc/38/16/61/972381661.db2.gz YVPYFBVHXFUODL-UHFFFAOYSA-N -2 3 349.774 2.722 20 0 EFADHL CSc1ccc([O-])c(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c1 ZINC001594193218 959176316 /nfs/dbraw/zinc/17/63/16/959176316.db2.gz OJJYKUKSPMXWIY-QGZVFWFLSA-N -2 3 331.393 2.844 20 0 EFADHL C[C@H](C(=O)[O-])N(Cc1nc2c3ccccc3oc2c(=O)[n-]1)C1CC1 ZINC001588597529 959395058 /nfs/dbraw/zinc/39/50/58/959395058.db2.gz SFXKHHZJXRMWNY-SECBINFHSA-N -2 3 327.340 2.519 20 0 EFADHL CCC(C)(C)C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000232941128 960306584 /nfs/dbraw/zinc/30/65/84/960306584.db2.gz IMVVDDVXCZGLOM-UHFFFAOYSA-N -2 3 337.800 2.892 20 0 EFADHL CCC1(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2F)CC1 ZINC000233071255 960314857 /nfs/dbraw/zinc/31/48/57/960314857.db2.gz MGYRIKFTMINNGH-UHFFFAOYSA-N -2 3 335.784 2.646 20 0 EFADHL CC(C)Oc1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198729907 960574610 /nfs/dbraw/zinc/57/46/10/960574610.db2.gz BEUGYSUYJBXZHZ-UHFFFAOYSA-N -2 3 335.381 2.973 20 0 EFADHL O=C([O-])c1ccccc1S(=O)(=O)[N-]c1c(O)cccc1Cl ZINC001198779469 960582894 /nfs/dbraw/zinc/58/28/94/960582894.db2.gz QDWFAUOFOYZUOC-UHFFFAOYSA-N -2 3 327.745 2.545 20 0 EFADHL CC1(C)CC([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)C1 ZINC001259224071 960688356 /nfs/dbraw/zinc/68/83/56/960688356.db2.gz SCAKWQWRCHLWCA-UHFFFAOYSA-N -2 3 335.784 2.644 20 0 EFADHL CCOC(=O)c1cccc2[n-]c(NC(=O)C(CC)(CC)C(=O)[O-])nc21 ZINC001573903614 961443228 /nfs/dbraw/zinc/44/32/28/961443228.db2.gz XYSUDUZUYUXZLC-UHFFFAOYSA-N -2 3 347.371 2.569 20 0 EFADHL O=C([O-])c1ccc(C(=O)Nc2n[n-]c(-c3cc4ccccc4o3)n2)cn1 ZINC001574614128 962203894 /nfs/dbraw/zinc/20/38/94/962203894.db2.gz DOGPAAMZCFPQKH-UHFFFAOYSA-N -2 3 349.306 2.563 20 0 EFADHL O=C([O-])c1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1O ZINC001571208132 962425123 /nfs/dbraw/zinc/42/51/23/962425123.db2.gz LAIWKSWORORUST-UHFFFAOYSA-N -2 3 333.315 2.897 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1(C)CC1 ZINC001571228738 962607473 /nfs/dbraw/zinc/60/74/73/962607473.db2.gz IYHSQODYBQCDQY-ZETCQYMHSA-N -2 3 335.784 2.644 20 0 EFADHL C[C@H]1CCCC[C@]1(C)[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000308419518 963273377 /nfs/dbraw/zinc/27/33/77/963273377.db2.gz MBALVGJWQNBBCY-VFZGTOFNSA-N -2 3 347.383 2.910 20 0 EFADHL CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC000316850139 964063276 /nfs/dbraw/zinc/06/32/76/964063276.db2.gz HJTGNZAENZXNLS-VWYCJHECSA-N -2 3 346.474 2.580 20 0 EFADHL C[C@@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000318225595 970419264 /nfs/dbraw/zinc/41/92/64/970419264.db2.gz IWZAVVGGVVPPMV-RKDXNWHRSA-N -2 3 349.811 2.892 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCN1Cc1cc(=O)oc2cc([O-])c(Cl)cc12 ZINC001603297192 972567609 /nfs/dbraw/zinc/56/76/09/972567609.db2.gz MBVLHMUATLXXPR-INIZCTEOSA-N -2 3 337.759 2.591 20 0 EFADHL CSc1nc(=O)[n-]c(C)c1C(=O)Nc1ccc([C@@H](C)C(=O)[O-])cc1 ZINC000396626800 972924813 /nfs/dbraw/zinc/92/48/13/972924813.db2.gz LUSZPIXAAYUXJD-MRVPVSSYSA-N -2 3 347.396 2.653 20 0 EFADHL CC(C)[C@@]1(C)C[C@H]1[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1F ZINC000397129168 972970805 /nfs/dbraw/zinc/97/08/05/972970805.db2.gz SZQCQOWFSYEBOO-BXUZGUMPSA-N -2 3 349.811 2.890 20 0 EFADHL CC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000400472364 973285736 /nfs/dbraw/zinc/28/57/36/973285736.db2.gz UBXDSVYOXDZPCH-LDYMZIIASA-N -2 3 337.800 2.647 20 0 EFADHL CC[C@@H](C)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC000400472361 973285847 /nfs/dbraw/zinc/28/58/47/973285847.db2.gz UBXDSVYOXDZPCH-KCJUWKMLSA-N -2 3 337.800 2.647 20 0 EFADHL O=C([O-])[C@H]1C[C@H](NC(=O)Cc2ccc([O-])c(F)c2)c2ccccc21 ZINC001605709186 974138448 /nfs/dbraw/zinc/13/84/48/974138448.db2.gz GOEXHXVBNIZEAE-ZFWWWQNUSA-N -2 3 329.327 2.503 20 0 EFADHL CC(C)c1ccc(C(=O)N[C@H]2CCOC3(CC(C(=O)[O-])C3)C2)c([O-])c1 ZINC001591942171 976466893 /nfs/dbraw/zinc/46/68/93/976466893.db2.gz DKEFKBBBXATKNH-BIWSTMPVSA-N -2 3 347.411 2.658 20 0 EFADHL CC(C)c1sc(NC(=O)c2cc(F)cc3n[n-]nc32)nc1C(=O)[O-] ZINC001592114491 976908249 /nfs/dbraw/zinc/90/82/49/976908249.db2.gz FXZYKIGEPJBHKG-UHFFFAOYSA-N -2 3 349.347 2.627 20 0 EFADHL C[C@H](CC(=O)[O-])CC(=O)[N-]OCc1ccc(F)cc1Br ZINC001592391434 977937824 /nfs/dbraw/zinc/93/78/24/977937824.db2.gz KXJPZMVXDWHZRI-QMMMGPOBSA-N -2 3 348.168 2.637 20 0 EFADHL O=C([O-])C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C1CCCC1 ZINC000718770522 977976999 /nfs/dbraw/zinc/97/69/99/977976999.db2.gz ORMKEYDDUCUQPV-VIFPVBQESA-N -2 3 337.850 2.713 20 0 EFADHL C[C@@H](Cc1ccccc1Cl)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001592896941 979800186 /nfs/dbraw/zinc/80/01/86/979800186.db2.gz XXYNVGPLWGZDQG-VIFPVBQESA-N -2 3 343.788 2.541 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000871995424 980027224 /nfs/dbraw/zinc/02/72/24/980027224.db2.gz XGIBRZPUZKGMJR-TZMCWYRMSA-N -2 3 335.381 2.592 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F)[C@H]1CC1(C)C ZINC001595313654 980478525 /nfs/dbraw/zinc/47/85/25/980478525.db2.gz VGHFFVWKPPUROZ-SCZZXKLOSA-N -2 3 347.383 2.766 20 0 EFADHL O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc([O-])c2ccccc2c1 ZINC000909678296 981567914 /nfs/dbraw/zinc/56/79/14/981567914.db2.gz JLKWISBTOPSFLG-MJEQTWJJSA-N -2 3 325.364 2.871 20 0 EFADHL CC[C@](C)([N-]S(=O)(=O)c1c(C)csc1C(=O)[O-])C(F)(F)F ZINC001594853109 982107154 /nfs/dbraw/zinc/10/71/54/982107154.db2.gz HSVRMWBNOWXCDF-JTQLQIEISA-N -2 3 345.364 2.764 20 0 EFADHL CCCCC[C@@H]([N-]S(=O)(=O)c1cc(F)c(C)cc1F)C(=O)[O-] ZINC001595687063 982177761 /nfs/dbraw/zinc/17/77/61/982177761.db2.gz KPIGQIXILHEQJN-GFCCVEGCSA-N -2 3 335.372 2.585 20 0 EFADHL CCCCOc1ccc(C(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c([O-])c1 ZINC001595776516 982543631 /nfs/dbraw/zinc/54/36/31/982543631.db2.gz CRTBXGWFLKFKGC-SOZUMNATSA-N -2 3 333.384 2.554 20 0 EFADHL C/C(=C\C(=O)[O-])CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC001588951985 984683588 /nfs/dbraw/zinc/68/35/88/984683588.db2.gz JYAYWLDLAAJUSB-JXMROGBWSA-N -2 3 342.380 2.644 20 0 EFADHL CCOCCCN(Cc1c(F)ccc([O-])c1F)C[C@@H](C)C(=O)[O-] ZINC001596914999 985937619 /nfs/dbraw/zinc/93/76/19/985937619.db2.gz OASWRAAMLGDPMT-LLVKDONJSA-N -2 3 331.359 2.620 20 0 EFADHL CC(=O)c1ccc(C(=O)N2C[C@@H](CC(=O)[O-])c3ccccc32)cc1[O-] ZINC001589273828 985978443 /nfs/dbraw/zinc/97/84/43/985978443.db2.gz QVNZKMVFFOHCCS-CYBMUJFWSA-N -2 3 339.347 2.814 20 0 EFADHL CCc1cc2c(CC(=O)[N-]OCCCC(=O)[O-])csc2s1 ZINC001597488850 988003895 /nfs/dbraw/zinc/00/38/95/988003895.db2.gz PRQKSUWVABVNFB-UHFFFAOYSA-N -2 3 327.427 2.980 20 0 EFADHL CCc1ccc(C(=O)N[C@H](C(=O)[O-])c2ccc(OC)cc2)c([O-])c1 ZINC001597500369 988054362 /nfs/dbraw/zinc/05/43/62/988054362.db2.gz LDPOFKRGYUTODM-INIZCTEOSA-N -2 3 329.352 2.519 20 0 EFADHL CCc1ccc(C(=O)Nc2cc(CCC(=O)[O-])ccc2O)c([O-])c1 ZINC001597504007 988073796 /nfs/dbraw/zinc/07/37/96/988073796.db2.gz YZVCNZSNKAJQNU-UHFFFAOYSA-N -2 3 329.352 2.930 20 0 EFADHL CSc1ccc(NC(=O)c2cc(F)cc3n[n-]nc32)cc1C(=O)[O-] ZINC001599817184 988447317 /nfs/dbraw/zinc/44/73/17/988447317.db2.gz HKECNSUWZXUJLQ-UHFFFAOYSA-N -2 3 346.343 2.769 20 0 EFADHL CSc1ccc([O-])c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])c1 ZINC001599819854 988493938 /nfs/dbraw/zinc/49/39/38/988493938.db2.gz JRGPCTAJTWBNAP-INIZCTEOSA-N -2 3 343.404 2.938 20 0 EFADHL CC(C)(C)c1ccc([C@H](O)CCC(=O)[N-]OCCCC(=O)[O-])cc1 ZINC001590480686 990068618 /nfs/dbraw/zinc/06/86/18/990068618.db2.gz YJEKBGFMEGZTHA-OAHLLOKOSA-N -2 3 337.416 2.710 20 0 EFADHL COc1cccc2c(C(=O)OCc3ccc(C(=O)[O-])cc3)n[n-]c21 ZINC001599689496 991043594 /nfs/dbraw/zinc/04/35/94/991043594.db2.gz NVACCNPZPJGYNP-UHFFFAOYSA-N -2 3 326.308 2.627 20 0 EFADHL COc1cccc2c(C(=O)OCc3ccc(C(=O)[O-])cc3)[n-]nc21 ZINC001599689496 991043601 /nfs/dbraw/zinc/04/36/01/991043601.db2.gz NVACCNPZPJGYNP-UHFFFAOYSA-N -2 3 326.308 2.627 20 0 EFADHL COc1cccc2c(C(=O)OCc3cc(C(=O)[O-])c(C)o3)n[n-]c21 ZINC001599690001 991052849 /nfs/dbraw/zinc/05/28/49/991052849.db2.gz YZKVWCQDRKANGS-UHFFFAOYSA-N -2 3 330.296 2.528 20 0 EFADHL COc1cccc2c(C(=O)OCc3cc(C(=O)[O-])c(C)o3)[n-]nc21 ZINC001599690001 991052862 /nfs/dbraw/zinc/05/28/62/991052862.db2.gz YZKVWCQDRKANGS-UHFFFAOYSA-N -2 3 330.296 2.528 20 0 EFADHL CC(C)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001590996437 991230375 /nfs/dbraw/zinc/23/03/75/991230375.db2.gz OAIGKQCHCNCMHX-CQSZACIVSA-N -2 3 337.397 2.523 20 0 EFADHL CC(C)C1CCC(C[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)CC1 ZINC001591082855 991602267 /nfs/dbraw/zinc/60/22/67/991602267.db2.gz ZMPRKLGPVYWFAI-UHFFFAOYSA-N -2 3 329.418 2.719 20 0 EFADHL CC(C)CC[C@@H]1CCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC001591227167 992098756 /nfs/dbraw/zinc/09/87/56/992098756.db2.gz DSGTVEMQDSHSHV-WCQYABFASA-N -2 3 329.418 2.861 20 0 EFADHL CC(C)CC[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1occc1C(=O)[O-] ZINC001591229100 992108797 /nfs/dbraw/zinc/10/87/97/992108797.db2.gz UXUNRZDVGKJCTD-DGCLKSJQSA-N -2 3 329.418 2.861 20 0 EFADHL COc1ccc([O-])c(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2O)c1 ZINC001599598468 993781063 /nfs/dbraw/zinc/78/10/63/993781063.db2.gz QCZKIUVMNBALFV-UHFFFAOYSA-N -2 3 337.715 2.710 20 0 EFADHL COc1cccc(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)c1[O-] ZINC001599642326 994375957 /nfs/dbraw/zinc/37/59/57/994375957.db2.gz FLUBDQMJGGZEMF-NSHDSACASA-N -2 3 329.352 2.916 20 0 EFADHL COc1cccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)c1F ZINC001599679805 994960641 /nfs/dbraw/zinc/96/06/41/994960641.db2.gz JGFQFQSUPSJGPZ-UHFFFAOYSA-N -2 3 345.392 2.611 20 0 EFADHL C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)C(=O)[O-] ZINC001593685494 996115425 /nfs/dbraw/zinc/11/54/25/996115425.db2.gz XPGWYMPGHCIYDR-ZCFIWIBFSA-N -2 3 327.362 2.555 20 0 EFADHL C[C@H](c1ccc(F)c(F)c1)N1C[C@@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001593694530 996150662 /nfs/dbraw/zinc/15/06/62/996150662.db2.gz XLMRFTAESREKRD-YZPAPABNSA-N -2 3 339.338 2.523 20 0 EFADHL CC1(C)CCC(C)(C[N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001593873823 996685325 /nfs/dbraw/zinc/68/53/25/996685325.db2.gz CCRZFLTZLPJURM-UHFFFAOYSA-N -2 3 346.474 2.726 20 0 EFADHL COCc1cc(NC(=O)c2ccc(C(C)=O)c([O-])c2)cc(C(=O)[O-])c1 ZINC001599288903 997028137 /nfs/dbraw/zinc/02/81/37/997028137.db2.gz WZZMLWYMPUTONJ-UHFFFAOYSA-N -2 3 343.335 2.692 20 0 EFADHL C[C@@]1([N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)CC=CCC1 ZINC001594061740 997854337 /nfs/dbraw/zinc/85/43/37/997854337.db2.gz MENWHUOIGWABFK-CQSZACIVSA-N -2 3 347.795 2.954 20 0 EFADHL COCCOc1cc(C(=O)[O-])ccc1NC(=O)c1ccc(C)cc1[O-] ZINC001599256668 998317276 /nfs/dbraw/zinc/31/72/76/998317276.db2.gz SDDHIJWZORWDBA-UHFFFAOYSA-N -2 3 345.351 2.676 20 0 EFADHL C[C@H]1CCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001594359466 999358548 /nfs/dbraw/zinc/35/85/48/999358548.db2.gz IAGCTKRKRZZZQE-DTWKUNHWSA-N -2 3 349.811 2.892 20 0 EFADHL Cc1cc(F)c(-c2nnn[n-]2)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001580933030 1091045969 /nfs/dbraw/zinc/04/59/69/1091045969.db2.gz FRPXVABMMNPVQP-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cc1cc(F)c(-c2nn[n-]n2)cc1NC(=O)c1ccc(Cl)cc1[O-] ZINC001580933030 1091045974 /nfs/dbraw/zinc/04/59/74/1091045974.db2.gz FRPXVABMMNPVQP-UHFFFAOYSA-N -2 3 347.737 2.926 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc(N)c(Cl)c2)cc(C(=O)[O-])c1 ZINC001211543133 1092768435 /nfs/dbraw/zinc/76/84/35/1092768435.db2.gz XDKQGLPLUJRXQE-UHFFFAOYSA-N -2 3 340.788 2.730 20 0 EFADHL CC(=Cc1cc(C)c(O)c(C)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001588768058 1092985201 /nfs/dbraw/zinc/98/52/01/1092985201.db2.gz KKKKOUYPMZGAPK-YFHOEESVSA-N -2 3 338.371 2.554 20 0 EFADHL CC(=Cc1cc(C)c(O)c(C)c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001588768058 1092985210 /nfs/dbraw/zinc/98/52/10/1092985210.db2.gz KKKKOUYPMZGAPK-YFHOEESVSA-N -2 3 338.371 2.554 20 0 EFADHL CC(C)[C@@H]1CCc2[n-]n(Cc3ccc(-c4nn[n-]n4)cc3)c(=O)c2C1 ZINC001589501114 1093097901 /nfs/dbraw/zinc/09/79/01/1093097901.db2.gz BYAZLWWBYGLWBI-HUUCEWRRSA-N -2 3 338.415 2.637 20 0 EFADHL CC(F)(F)c1cccc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)c1 ZINC001589908042 1093176257 /nfs/dbraw/zinc/17/62/57/1093176257.db2.gz ARXZOHZPULOMJT-UHFFFAOYSA-N -2 3 345.309 2.936 20 0 EFADHL C[C@@H]1CCc2[n-]n(-c3ccc(-c4nnn[n-]4)c(Cl)c3)c(=O)c2C1 ZINC001590241302 1093328823 /nfs/dbraw/zinc/32/88/23/1093328823.db2.gz VUWQCASDRDXMJW-KCJUWKMLSA-N -2 3 330.779 2.659 20 0 EFADHL C[C@@H]1CCc2[n-]n(-c3ccc(-c4nn[n-]n4)c(Cl)c3)c(=O)c2C1 ZINC001590241302 1093328829 /nfs/dbraw/zinc/32/88/29/1093328829.db2.gz VUWQCASDRDXMJW-KCJUWKMLSA-N -2 3 330.779 2.659 20 0 EFADHL C[C@@H]1CCc2[n-]n(-c3ccc(-c4nnn[n-]4)c(Cl)c3)c(=O)c2C1 ZINC001590241305 1093330742 /nfs/dbraw/zinc/33/07/42/1093330742.db2.gz VUWQCASDRDXMJW-LDYMZIIASA-N -2 3 330.779 2.659 20 0 EFADHL C[C@@H]1CCc2[n-]n(-c3ccc(-c4nn[n-]n4)c(Cl)c3)c(=O)c2C1 ZINC001590241305 1093330750 /nfs/dbraw/zinc/33/07/50/1093330750.db2.gz VUWQCASDRDXMJW-LDYMZIIASA-N -2 3 330.779 2.659 20 0 EFADHL CCN(C(=O)c1cccc(Cl)c1[O-])c1ccc(-c2nnn[n-]2)cc1 ZINC001590675567 1093544902 /nfs/dbraw/zinc/54/49/02/1093544902.db2.gz TWMWYOZNKNWTNY-UHFFFAOYSA-N -2 3 343.774 2.892 20 0 EFADHL CCN(C(=O)c1cccc(Cl)c1[O-])c1ccc(-c2nn[n-]n2)cc1 ZINC001590675567 1093544910 /nfs/dbraw/zinc/54/49/10/1093544910.db2.gz TWMWYOZNKNWTNY-UHFFFAOYSA-N -2 3 343.774 2.892 20 0 EFADHL CCOc1ccc(C=C(C)c2nc(C)c(-c3nn[n-]n3)c(=O)[n-]2)cc1 ZINC001590836686 1093589569 /nfs/dbraw/zinc/58/95/69/1093589569.db2.gz DVDFIXHZFWSYKE-MDZDMXLPSA-N -2 3 338.371 2.630 20 0 EFADHL CCOc1ccc(C=C(C)c2nc(C)c(-c3nnn[n-]3)c(=O)[n-]2)cc1 ZINC001590836686 1093589573 /nfs/dbraw/zinc/58/95/73/1093589573.db2.gz DVDFIXHZFWSYKE-MDZDMXLPSA-N -2 3 338.371 2.630 20 0 EFADHL CCOc1cccc(C=Cc2nc(C(=O)[O-])ccc2-c2nnn[n-]2)c1 ZINC001590842860 1093594677 /nfs/dbraw/zinc/59/46/77/1093594677.db2.gz OGFSMCTXRHCZQE-VURMDHGXSA-N -2 3 337.339 2.529 20 0 EFADHL CCOc1cccc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[n-]n2)c1 ZINC001590842860 1093594682 /nfs/dbraw/zinc/59/46/82/1093594682.db2.gz OGFSMCTXRHCZQE-VURMDHGXSA-N -2 3 337.339 2.529 20 0 EFADHL COc1ccccc1C=CC=Cc1nc(C(=O)[O-])ccc1-c1nnn[n-]1 ZINC001591647900 1093818570 /nfs/dbraw/zinc/81/85/70/1093818570.db2.gz MLWBFKHTLXVUTL-JHMJBTLWSA-N -2 3 349.350 2.695 20 0 EFADHL COc1ccccc1C=CC=Cc1nc(C(=O)[O-])ccc1-c1nn[n-]n1 ZINC001591647900 1093818575 /nfs/dbraw/zinc/81/85/75/1093818575.db2.gz MLWBFKHTLXVUTL-JHMJBTLWSA-N -2 3 349.350 2.695 20 0 EFADHL Cc1cc(NC(=O)c2ccc(-c3nn[n-]n3)c([O-])c2)ccc1Cl ZINC001592030134 1093961619 /nfs/dbraw/zinc/96/16/19/1093961619.db2.gz JTQWKROGGUCLTM-UHFFFAOYSA-N -2 3 329.747 2.786 20 0 EFADHL Cc1ccc(C(C)(C)C(=O)[N-]Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC001592132180 1093990965 /nfs/dbraw/zinc/99/09/65/1093990965.db2.gz GWUBAGHKAOQLKQ-UHFFFAOYSA-N -2 3 337.383 2.563 20 0 EFADHL Cc1ccc(C(C)(C)C(=O)[N-]Oc2cccc(-c3nn[n-]n3)c2)cc1 ZINC001592132180 1093990967 /nfs/dbraw/zinc/99/09/67/1093990967.db2.gz GWUBAGHKAOQLKQ-UHFFFAOYSA-N -2 3 337.383 2.563 20 0 EFADHL O=C([O-])c1ccc(-c2nnn[n-]2)c(C=Cc2sccc2Cl)n1 ZINC001593283998 1094265276 /nfs/dbraw/zinc/26/52/76/1094265276.db2.gz UZDKRSJPPRRERD-ARJAWSKDSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1ccc(-c2nn[n-]n2)c(C=Cc2sccc2Cl)n1 ZINC001593283998 1094265283 /nfs/dbraw/zinc/26/52/83/1094265283.db2.gz UZDKRSJPPRRERD-ARJAWSKDSA-N -2 3 333.760 2.845 20 0 EFADHL O=C([O-])c1cccc(C=Cc2cc(-c3nnn[n-]3)ccn2)c1Cl ZINC001593283153 1094265958 /nfs/dbraw/zinc/26/59/58/1094265958.db2.gz MHHOHGPZBMJUIG-SNAWJCMRSA-N -2 3 327.731 2.784 20 0 EFADHL O=C([O-])c1cccc(C=Cc2cc(-c3nn[n-]n3)ccn2)c1Cl ZINC001593283153 1094265962 /nfs/dbraw/zinc/26/59/62/1094265962.db2.gz MHHOHGPZBMJUIG-SNAWJCMRSA-N -2 3 327.731 2.784 20 0 EFADHL O=Cc1cc(C(=O)[O-])cc(-c2cc(Cl)cc(-c3nnn[n-]3)c2)c1 ZINC001593416336 1094306429 /nfs/dbraw/zinc/30/64/29/1094306429.db2.gz QAMGPRJRHOLXBT-UHFFFAOYSA-N -2 3 328.715 2.698 20 0 EFADHL O=Cc1cc(C(=O)[O-])cc(-c2cc(Cl)cc(-c3nn[n-]n3)c2)c1 ZINC001593416336 1094306439 /nfs/dbraw/zinc/30/64/39/1094306439.db2.gz QAMGPRJRHOLXBT-UHFFFAOYSA-N -2 3 328.715 2.698 20 0 EFADHL Cc1c(F)ccc(Cl)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC001600021391 1094725465 /nfs/dbraw/zinc/72/54/65/1094725465.db2.gz MERDLKUEIJOHIE-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL Cc1cc(C[N-]C(=O)C(F)(F)c2ccccc2F)oc1C(=O)[O-] ZINC001600197782 1094865180 /nfs/dbraw/zinc/86/51/80/1094865180.db2.gz AGWJONCLXUHDOC-UHFFFAOYSA-N -2 3 327.258 2.834 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]Cc2cc3ccccc3o2)oc1C(=O)[O-] ZINC001600300679 1094952907 /nfs/dbraw/zinc/95/29/07/1094952907.db2.gz XKLLYMNPGLRMQB-UHFFFAOYSA-N -2 3 335.337 2.511 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC[C@@H](C)c2ccccc2)oc1C(=O)[O-] ZINC001600298336 1094953462 /nfs/dbraw/zinc/95/34/62/1094953462.db2.gz CGPKWLLJBWRCOZ-LLVKDONJSA-N -2 3 337.397 2.758 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)c2ccc(Cl)cc2)oc1C(=O)[O-] ZINC001600300272 1094954172 /nfs/dbraw/zinc/95/41/72/1094954172.db2.gz GQSMRWNKWUEMHD-VIFPVBQESA-N -2 3 343.788 2.979 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2ncc(C(=O)[O-])cc2Cl)ccc1F ZINC001600301506 1094955220 /nfs/dbraw/zinc/95/52/20/1094955220.db2.gz KSWVWKVRKNKEOO-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL Cc1ccc(-c2cc(C(=O)O[C@@H](C(=O)[O-])c3ccccc3)n[n-]2)o1 ZINC001600312555 1094962548 /nfs/dbraw/zinc/96/25/48/1094962548.db2.gz GDXIZNUQGPPXKM-OAHLLOKOSA-N -2 3 326.308 2.961 20 0 EFADHL Cc1ccc(-c2cc(C(=O)O[C@@H]3C[C@H]4C[C@@H](C(=O)[O-])C[C@H]43)n[n-]2)o1 ZINC001600312552 1094963456 /nfs/dbraw/zinc/96/34/56/1094963456.db2.gz GDJVSTYVZWEXIQ-UYUMYWFVSA-N -2 3 330.340 2.634 20 0 EFADHL Cc1sc([C@@H]2CCCN2Cc2nc(C)ccc2[O-])nc1C(=O)[O-] ZINC001600464412 1095085929 /nfs/dbraw/zinc/08/59/29/1095085929.db2.gz BNVHVILDJUYZFK-LBPRGKRZSA-N -2 3 333.413 2.896 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)OCO3)c(C(=O)[O-])c1 ZINC001600482919 1095097654 /nfs/dbraw/zinc/09/76/54/1095097654.db2.gz NMBNVXGDUKEUSM-UHFFFAOYSA-N -2 3 349.364 2.531 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2C)c(C(=O)[O-])c1 ZINC001600483065 1095100407 /nfs/dbraw/zinc/10/04/07/1095100407.db2.gz ZHZGIGFTFPICCA-UHFFFAOYSA-N -3 3 349.364 2.501 20 0 EFADHL Cc1cccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)c1F ZINC001600542672 1095148481 /nfs/dbraw/zinc/14/84/81/1095148481.db2.gz WBZPNWOZYZTJLB-UHFFFAOYSA-N -2 3 329.393 2.911 20 0 EFADHL Cc1cccc([O-])c1C(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001600542829 1095149606 /nfs/dbraw/zinc/14/96/06/1095149606.db2.gz RKHULLWVJHHXDW-VIFPVBQESA-N -2 3 332.381 2.599 20 0 EFADHL Cc1cnc(Cl)c([N-]S(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC001600622257 1095217228 /nfs/dbraw/zinc/21/72/28/1095217228.db2.gz JPVMTXDFUJEZPR-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL Cc1cnc2ccccc2c1N1C[C@H](C(=O)[O-])C2(CC(C(=O)[O-])C2)C1 ZINC001600626516 1095220516 /nfs/dbraw/zinc/22/05/16/1095220516.db2.gz MFEQEMSCVPQNOP-GBRVTDDUSA-N -2 3 340.379 2.545 20 0 EFADHL Cc1cscc1[N-]S(=O)(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC001600667384 1095249290 /nfs/dbraw/zinc/24/92/90/1095249290.db2.gz CZFAUMAKIDVKPM-LBPRGKRZSA-N -2 3 325.411 2.667 20 0 EFADHL Cc1[nH]nc(S(=O)(=O)[N-][C@@H](CCC(C)C)C(C)(C)C)c1C(=O)[O-] ZINC001600674329 1095251442 /nfs/dbraw/zinc/25/14/42/1095251442.db2.gz YYYJARDJIYIQGM-NSHDSACASA-N -2 3 345.465 2.546 20 0 EFADHL Cc1sc([C@@H]2CCCN2C(=O)c2ccccc2[O-])nc1C(=O)[O-] ZINC001600883552 1095405236 /nfs/dbraw/zinc/40/52/36/1095405236.db2.gz SYFVETBQVCJCIU-NSHDSACASA-N -2 3 332.381 2.833 20 0 EFADHL O=C([O-])[C@@H](NC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC001601270182 1095588764 /nfs/dbraw/zinc/58/87/64/1095588764.db2.gz KWUZPDJUPNGKAP-KRWDZBQOSA-N -2 3 331.343 2.796 20 0 EFADHL O=C([O-])c1cccc(NC(=O)CCCc2ccc([O-])c(F)c2)c1O ZINC001601270135 1095589341 /nfs/dbraw/zinc/58/93/41/1095589341.db2.gz HTDSNKPJKKHRKM-UHFFFAOYSA-N -2 3 333.315 2.897 20 0 EFADHL O=C([O-])[C@@H]1C[C@@H]2C[C@H](NC(=O)c3cc4sccc4c([O-])c3)[C@@H]2C1 ZINC001601578410 1095739602 /nfs/dbraw/zinc/73/96/02/1095739602.db2.gz LZIYFARTMBSYDP-DXLKZPDWSA-N -2 3 331.393 2.836 20 0 EFADHL O=C([O-])c1cc(NC(=O)c2cc3c(cc2[O-])OCO3)cc2[nH]ccc21 ZINC001601584122 1095743974 /nfs/dbraw/zinc/74/39/74/1095743974.db2.gz BBAARJUBEPZEMB-UHFFFAOYSA-N -2 3 340.291 2.553 20 0 EFADHL O=C([O-])[C@@H](NCc1nnc(-c2ccccc2[O-])o1)C1CCCCC1 ZINC001601678772 1095812906 /nfs/dbraw/zinc/81/29/06/1095812906.db2.gz OWUJYXJQJQVWNM-HNNXBMFYSA-N -2 3 331.372 2.565 20 0 EFADHL O=C([O-])/C=C\c1ccc(C(=O)[N-]c2nnc(-c3ccccn3)s2)o1 ZINC001601878245 1095950816 /nfs/dbraw/zinc/95/08/16/1095950816.db2.gz ZXZYIRHTKRVHIL-ALCCZGGFSA-N -2 3 342.336 2.543 20 0 EFADHL O=C([O-])CCc1ccc([O-])c(NC(=O)c2cccc3c2C(=O)CC3)c1 ZINC001602041812 1096033498 /nfs/dbraw/zinc/03/34/98/1096033498.db2.gz ONBLPPPSSGVAQJ-UHFFFAOYSA-N -2 3 339.347 2.791 20 0 EFADHL O=C([O-])COc1ccc(NC(=O)CCCc2ccc([O-])c(F)c2)cc1 ZINC001602085821 1096054606 /nfs/dbraw/zinc/05/46/06/1096054606.db2.gz NVTORIFWXMPZGR-UHFFFAOYSA-N -2 3 347.342 2.956 20 0 EFADHL O=C([O-])Cc1cccc(NC(=O)c2cc3c(cc2[O-])CCCC3)n1 ZINC001602139855 1096085882 /nfs/dbraw/zinc/08/58/82/1096085882.db2.gz FTBCCHRODUECHB-UHFFFAOYSA-N -2 3 326.352 2.545 20 0 EFADHL O=C([O-])c1cc(C(=O)Nc2cccc([O-])c2F)n(-c2ccccc2)n1 ZINC001602249174 1096138642 /nfs/dbraw/zinc/13/86/42/1096138642.db2.gz KDPLJKJMDUQJJR-UHFFFAOYSA-N -2 3 341.298 2.668 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]CCC2=CCCC2)c(F)cc1Cl ZINC001602295280 1096164369 /nfs/dbraw/zinc/16/43/69/1096164369.db2.gz DJLDWEVIIQAAIA-UHFFFAOYSA-N -2 3 347.795 2.956 20 0 EFADHL O=C([O-])c1ccc(C(=O)COC(=O)c2cccc(Cl)c2[O-])cc1 ZINC001602316121 1096175442 /nfs/dbraw/zinc/17/54/42/1096175442.db2.gz LJSOSFMXYCQERW-UHFFFAOYSA-N -2 3 334.711 2.784 20 0 EFADHL O=C([O-])c1ccc(C(=O)Nc2cc(Br)ccc2[O-])o1 ZINC001602324297 1096179182 /nfs/dbraw/zinc/17/91/82/1096179182.db2.gz OCJHYOCYNTYMJD-UHFFFAOYSA-N -2 3 326.102 2.698 20 0 EFADHL O=C([O-])c1ccc(Cl)c(CN2CCC[C@H](c3n[n-]c(=O)o3)C2)c1 ZINC001602358001 1096203333 /nfs/dbraw/zinc/20/33/33/1096203333.db2.gz NSKHEHVNPRQKDM-JTQLQIEISA-N -2 3 337.763 2.506 20 0 EFADHL O=C([O-])c1ccc(Cl)c(CN2CCC[C@@H](c3n[n-]c(=O)o3)C2)c1 ZINC001602358002 1096203446 /nfs/dbraw/zinc/20/34/46/1096203446.db2.gz NSKHEHVNPRQKDM-SNVBAGLBSA-N -2 3 337.763 2.506 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)c(F)cc2Cl)cn1 ZINC001602401792 1096222536 /nfs/dbraw/zinc/22/25/36/1096222536.db2.gz YDTGXFQZMFBUTF-UHFFFAOYSA-N -2 3 348.714 2.512 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001602488397 1096270168 /nfs/dbraw/zinc/27/01/68/1096270168.db2.gz GPYDSTQGQFVZEO-SDDRHHMPSA-N -2 3 327.402 2.615 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C1(Cc2ccccc2)CCCC1 ZINC001602489101 1096270306 /nfs/dbraw/zinc/27/03/06/1096270306.db2.gz RRJFUPYJRDOSMU-UHFFFAOYSA-N -2 3 349.408 2.812 20 0 EFADHL O=C([O-])c1ccoc1S(=O)(=O)[N-]C[C@H]1CCC[C@@H]1c1ccccc1 ZINC001602489321 1096272340 /nfs/dbraw/zinc/27/23/40/1096272340.db2.gz ZMFCGWYVBZXHFL-ZIAGYGMSSA-N -2 3 349.408 2.840 20 0 EFADHL O=C([O-])c1cn(Cc2cc(=O)[n-]c(-c3ccccc3)n2)c(C2CC2)n1 ZINC001602505739 1096273252 /nfs/dbraw/zinc/27/32/52/1096273252.db2.gz XLPAVZBABYPQCR-UHFFFAOYSA-N -2 3 336.351 2.670 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-]Cc2ccc(C3CCC3)cc2)c1 ZINC001602558682 1096298704 /nfs/dbraw/zinc/29/87/04/1096298704.db2.gz DAJFMZXFAOROCS-UHFFFAOYSA-N -2 3 335.381 2.724 20 0 EFADHL CC(=Cc1ccccc1Cl)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602905944 1096395179 /nfs/dbraw/zinc/39/51/79/1096395179.db2.gz IMOWBAXQZOTJNX-FPLPWBNLSA-N -2 3 328.763 2.885 20 0 EFADHL CC(=Cc1ccccc1Cl)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602905944 1096395180 /nfs/dbraw/zinc/39/51/80/1096395180.db2.gz IMOWBAXQZOTJNX-FPLPWBNLSA-N -2 3 328.763 2.885 20 0 EFADHL CC(=Cc1cccc(Cl)c1)c1nc(C)c(-c2nn[n-]n2)c(=O)[n-]1 ZINC001602905970 1096395384 /nfs/dbraw/zinc/39/53/84/1096395384.db2.gz JLHUTTPPFJOJLE-VURMDHGXSA-N -2 3 328.763 2.885 20 0 EFADHL CC(=Cc1cccc(Cl)c1)c1nc(C)c(-c2nnn[n-]2)c(=O)[n-]1 ZINC001602905970 1096395388 /nfs/dbraw/zinc/39/53/88/1096395388.db2.gz JLHUTTPPFJOJLE-VURMDHGXSA-N -2 3 328.763 2.885 20 0 EFADHL CC(=O)c1ccc(C(=O)N[C@H]2C[C@@H](C(=O)[O-])c3ccccc32)cc1[O-] ZINC001603107744 1096444470 /nfs/dbraw/zinc/44/44/70/1096444470.db2.gz IUNWXKJBMUXPTP-CVEARBPZSA-N -2 3 339.347 2.638 20 0 EFADHL CC(=O)c1ccc(C(=O)NC[C@@H](CC2CCCC2)C(=O)[O-])cc1[O-] ZINC001603108818 1096445872 /nfs/dbraw/zinc/44/58/72/1096445872.db2.gz HXXBXZDMJGVQSE-CQSZACIVSA-N -2 3 333.384 2.606 20 0 EFADHL C[C@@H](C(=O)[O-])[C@@H](NC(=O)Cc1ccc([O-])c(F)c1)c1ccccc1 ZINC001603187595 1096468901 /nfs/dbraw/zinc/46/89/01/1096468901.db2.gz LHIUZLFRXVGCPJ-PIGZYNQJSA-N -2 3 331.343 2.652 20 0 EFADHL CC(C)Nc1ccccc1NC(=O)c1ccc(-c2nn[n-]n2)c([O-])c1 ZINC001603341264 1096507944 /nfs/dbraw/zinc/50/79/44/1096507944.db2.gz RGWAYDLHSMCBCX-UHFFFAOYSA-N -2 3 338.371 2.645 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1occc1C(=O)[O-])C1=CCCCC1 ZINC001603647628 1096576463 /nfs/dbraw/zinc/57/64/63/1096576463.db2.gz IZBKNJWCIMFSGD-UHFFFAOYSA-N -2 3 327.402 2.783 20 0 EFADHL CC(C)Oc1c(NC(=O)[N-]O[C@H]2CCCCO2)cccc1C(=O)[O-] ZINC001603933948 1096672173 /nfs/dbraw/zinc/67/21/73/1096672173.db2.gz SZNKSXRYWFETPZ-ZDUSSCGKSA-N -2 3 338.360 2.752 20 0 EFADHL C[C@@H](Cc1ccc(NC(=O)Cc2ccc([O-])c(F)c2)cc1)C(=O)[O-] ZINC001604223837 1096777987 /nfs/dbraw/zinc/77/79/87/1096777987.db2.gz DFXSPKCDFSEFFH-NSHDSACASA-N -2 3 331.343 2.976 20 0 EFADHL C[C@@H](Cc1ccc(NCc2cc(=O)[n-]c(C3CC3)n2)cc1)C(=O)[O-] ZINC001604229220 1096780249 /nfs/dbraw/zinc/78/02/49/1096780249.db2.gz UFSVRSOVEODZOX-NSHDSACASA-N -2 3 327.384 2.935 20 0 EFADHL C[C@H](Nc1nc(Cl)c(C(=O)[O-])s1)c1nc(C(F)(F)F)n[n-]1 ZINC001604364318 1096829862 /nfs/dbraw/zinc/82/98/62/1096829862.db2.gz LOKBNKDUTTYAJS-REOHCLBHSA-N -2 3 341.702 2.805 20 0 EFADHL C[C@@H](OC(=O)c1nn(-c2ccccc2)cc1[O-])c1ccc(C(=O)[O-])o1 ZINC001604418735 1096847533 /nfs/dbraw/zinc/84/75/33/1096847533.db2.gz JAVIBWIBXARJCN-SNVBAGLBSA-N -2 3 342.307 2.787 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F)C1CC1 ZINC001605103547 1097022626 /nfs/dbraw/zinc/02/26/26/1097022626.db2.gz HKKKGBPQPRRNGN-NSHDSACASA-N -2 3 335.784 2.644 20 0 EFADHL CCC1CCC(C[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC001605156227 1097036450 /nfs/dbraw/zinc/03/64/50/1097036450.db2.gz BBGIQPCEAIOJKV-UHFFFAOYSA-N -2 3 329.418 2.781 20 0 EFADHL CCCC[C@H](CCC)C[N-]S(=O)(=O)c1scnc1C(=O)[O-] ZINC001605237764 1097064011 /nfs/dbraw/zinc/06/40/11/1097064011.db2.gz LARIMWNKPVFSME-JTQLQIEISA-N -2 3 334.463 2.726 20 0 EFADHL CCO[C@H]1C[C@](NC(=O)c2ccc(C(C)C)cc2[O-])(C(=O)[O-])C1(C)C ZINC001605607997 1097169301 /nfs/dbraw/zinc/16/93/01/1097169301.db2.gz OLPKJYQCOVWPGE-KXBFYZLASA-N -2 3 349.427 2.904 20 0 EFADHL Cc1cc2cc(NC3(P(=O)([O-])[O-])Cc4ccccc4C3)ncc2[nH]1 ZINC001167933759 1097333506 /nfs/dbraw/zinc/33/35/06/1097333506.db2.gz NBFSHWRVKBFORK-UHFFFAOYSA-N -2 3 343.323 2.956 20 0 EFADHL Cc1cc(NC2(P(=O)([O-])[O-])Cc3ccccc3C2)nc2cc[nH]c21 ZINC001167938148 1097376313 /nfs/dbraw/zinc/37/63/13/1097376313.db2.gz FZNCCHQSTWWEDV-UHFFFAOYSA-N -2 3 343.323 2.956 20 0 EFADHL O=C([O-])C1(CNc2ccc(-c3nn[n-]n3)cc2C(F)(F)F)CCC1 ZINC001606960917 1097481262 /nfs/dbraw/zinc/48/12/62/1097481262.db2.gz UZNNXSNRIAYEJF-UHFFFAOYSA-N -2 3 341.293 2.552 20 0 EFADHL O=C([O-])c1cccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c1Cl ZINC001606962367 1097481492 /nfs/dbraw/zinc/48/14/92/1097481492.db2.gz RVVQAWOHHNEFDL-GQCTYLIASA-N -2 3 327.731 2.784 20 0 EFADHL O=C([O-])c1cccc(C=Cc2ccc(-c3nn[n-]n3)cn2)c1Cl ZINC001606962367 1097481495 /nfs/dbraw/zinc/48/14/95/1097481495.db2.gz RVVQAWOHHNEFDL-GQCTYLIASA-N -2 3 327.731 2.784 20 0 EFADHL O=C([O-])c1cccc(C=Cc2ccc(-c3nnn[n-]3)cn2)c1Cl ZINC001606962368 1097481590 /nfs/dbraw/zinc/48/15/90/1097481590.db2.gz RVVQAWOHHNEFDL-XQRVVYSFSA-N -2 3 327.731 2.784 20 0 EFADHL O=C([O-])c1cccc(C=Cc2ccc(-c3nn[n-]n3)cn2)c1Cl ZINC001606962368 1097481594 /nfs/dbraw/zinc/48/15/94/1097481594.db2.gz RVVQAWOHHNEFDL-XQRVVYSFSA-N -2 3 327.731 2.784 20 0 EFADHL COc1cc(C(=O)O[C@H](C)c2ccc(C(=O)[O-])o2)cc(OC)c1[O-] ZINC001607145717 1097542373 /nfs/dbraw/zinc/54/23/73/1097542373.db2.gz PBKWMXBZMFESFO-MRVPVSSYSA-N -2 3 336.296 2.619 20 0 EFADHL CSc1ccc([O-])c(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c1 ZINC001607410262 1097622658 /nfs/dbraw/zinc/62/26/58/1097622658.db2.gz TYVGTXTYLODCIC-AWEZNQCLSA-N -2 3 349.383 2.851 20 0 EFADHL Cc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)ccc(F)c1C(=O)[O-] ZINC001607550608 1097659419 /nfs/dbraw/zinc/65/94/19/1097659419.db2.gz MXTWXHUKBUQZRU-UHFFFAOYSA-N -2 3 345.252 2.959 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)[C@H]2CC3CCC2CC3)oc1C(=O)[O-] ZINC001607705805 1097703936 /nfs/dbraw/zinc/70/39/36/1097703936.db2.gz UIAQQPVJVUXECH-IKWCTNDRSA-N -2 3 341.429 2.779 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CCCC2CCCCC2)oc1C(=O)[O-] ZINC001607707141 1097704914 /nfs/dbraw/zinc/70/49/14/1097704914.db2.gz CKHMUHNDEHDGDE-UHFFFAOYSA-N -2 3 329.418 2.925 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)CCC3)oc1C(=O)[O-] ZINC001607708338 1097705533 /nfs/dbraw/zinc/70/55/33/1097705533.db2.gz UKOMWOTZQQSXJO-LLVKDONJSA-N -2 3 349.408 2.814 20 0 EFADHL Cc1ccc(CCC(=O)[N-]OCCCC(=O)[O-])c(Br)c1 ZINC001607775263 1097728637 /nfs/dbraw/zinc/72/86/37/1097728637.db2.gz YTKPWOQWQJDGCH-UHFFFAOYSA-N -2 3 344.205 2.603 20 0 EFADHL Cc1cccc(F)c1[N-]S(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC001607855159 1097755254 /nfs/dbraw/zinc/75/52/54/1097755254.db2.gz JKUSDHPPOYEZCP-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1c(C(=O)[O-])sc2[n-]c(COc3ccccc3C)nc(=O)c12 ZINC001607886212 1097767502 /nfs/dbraw/zinc/76/75/02/1097767502.db2.gz HWJMVAHZLGZPAW-UHFFFAOYSA-N -2 3 330.365 2.879 20 0 EFADHL Cc1ncc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1C(=O)[O-] ZINC001607984437 1097797578 /nfs/dbraw/zinc/79/75/78/1097797578.db2.gz AKOHNIORVYHMGM-UHFFFAOYSA-N -2 3 344.751 2.682 20 0 EFADHL O=C([O-])[C@H](CS(=O)(=O)[N-]c1ccc(F)cc1F)c1ccccc1 ZINC001608540945 1097945311 /nfs/dbraw/zinc/94/53/11/1097945311.db2.gz XTRKPHUOEPYQPM-GFCCVEGCSA-N -2 3 341.335 2.575 20 0 EFADHL O=C([O-])[C@@H]([N-]C(=O)C(F)(F)c1ccccc1F)c1ccsc1 ZINC001608543558 1097946407 /nfs/dbraw/zinc/94/64/07/1097946407.db2.gz PDLYREAPZCBVSE-NSHDSACASA-N -2 3 329.299 2.921 20 0 EFADHL O=C([O-])c1ccc(COC(=O)c2cc(-c3ccco3)[n-]n2)c(F)c1 ZINC001608889264 1098059723 /nfs/dbraw/zinc/05/97/23/1098059723.db2.gz OKNDKIZQRJISCO-UHFFFAOYSA-N -2 3 330.271 2.864 20 0 EFADHL O=C([O-])c1ccc(COC(=O)c2cc(-c3ccco3)n[n-]2)c(F)c1 ZINC001608889264 1098059729 /nfs/dbraw/zinc/05/97/29/1098059729.db2.gz OKNDKIZQRJISCO-UHFFFAOYSA-N -2 3 330.271 2.864 20 0 EFADHL O=C([O-])c1ccc2c(c1)[C@H](CNC(=O)c1ccccc1[O-])CCC2 ZINC001608918838 1098071666 /nfs/dbraw/zinc/07/16/66/1098071666.db2.gz CKCXKHJXOFAMMM-AWEZNQCLSA-N -2 3 325.364 2.940 20 0 EFADHL O=C([O-])c1cccc(C(=O)COC(=O)c2cccc(Cl)c2[O-])c1 ZINC001608928384 1098077983 /nfs/dbraw/zinc/07/79/83/1098077983.db2.gz IQNALGOBYQRSGX-UHFFFAOYSA-N -2 3 334.711 2.784 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H](c2ccco2)c2ccccc2)c1 ZINC001608990546 1098101242 /nfs/dbraw/zinc/10/12/42/1098101242.db2.gz DHRQZBMUVVPZDM-OAHLLOKOSA-N -2 3 347.348 2.639 20 0 EFADHL Cc1ccc(C=Cc2nc(C(=O)[O-])ccc2-c2nnn[n-]2)cc1F ZINC001609422100 1098306840 /nfs/dbraw/zinc/30/68/40/1098306840.db2.gz FUZUKZYKMVZTPQ-XQRVVYSFSA-N -2 3 325.303 2.578 20 0 EFADHL Cc1ccc(C=Cc2nc(C(=O)[O-])ccc2-c2nn[n-]n2)cc1F ZINC001609422100 1098306844 /nfs/dbraw/zinc/30/68/44/1098306844.db2.gz FUZUKZYKMVZTPQ-XQRVVYSFSA-N -2 3 325.303 2.578 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2-c2nn[n-]n2)c1 ZINC001609434337 1098318595 /nfs/dbraw/zinc/31/85/95/1098318595.db2.gz VRLWAQVOJAICIO-UHFFFAOYSA-N -2 3 349.803 2.629 20 0 EFADHL O=C([O-])CCCCCNc1ccc(-c2nn[n-]n2)cc1C(F)(F)F ZINC001609572035 1098384903 /nfs/dbraw/zinc/38/49/03/1098384903.db2.gz IZPMIKFZSOTUCO-UHFFFAOYSA-N -2 3 343.309 2.942 20 0 EFADHL O=C([O-])c1ccc(COc2ccc(-c3nnn[n-]3)cc2Cl)cc1 ZINC001609572943 1098385356 /nfs/dbraw/zinc/38/53/56/1098385356.db2.gz QBFYXPHGNYKMKM-UHFFFAOYSA-N -2 3 330.731 2.797 20 0 EFADHL O=C([O-])c1ccc(COc2ccc(-c3nn[n-]n3)cc2Cl)cc1 ZINC001609572943 1098385361 /nfs/dbraw/zinc/38/53/61/1098385361.db2.gz QBFYXPHGNYKMKM-UHFFFAOYSA-N -2 3 330.731 2.797 20 0 EFADHL O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1ccc([O-])c(Cl)c1 ZINC001609576427 1098387314 /nfs/dbraw/zinc/38/73/14/1098387314.db2.gz RMIRSUJKZGVXNF-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1ccc([O-])c(Cl)c1 ZINC001609576427 1098387318 /nfs/dbraw/zinc/38/73/18/1098387318.db2.gz RMIRSUJKZGVXNF-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL CC(C)[C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2csnc2C(=O)[O-])CC1 ZINC001609690094 1098428898 /nfs/dbraw/zinc/42/88/98/1098428898.db2.gz PVJJAYYZTQXNKP-GHMZBOCLSA-N -2 3 346.474 2.725 20 0 EFADHL C[C@@]1(C(=O)[O-])CCN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC001609813031 1098465859 /nfs/dbraw/zinc/46/58/59/1098465859.db2.gz AHLUQNRZOQVRBD-QGZVFWFLSA-N -2 3 346.408 2.805 20 0 EFADHL CC[C@@](NCc1nc(=O)c2sccc2[n-]1)(C(=O)[O-])c1ccccc1 ZINC001609930224 1098496973 /nfs/dbraw/zinc/49/69/73/1098496973.db2.gz FGFPQZSGVSJHPJ-KRWDZBQOSA-N -2 3 343.408 2.877 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1C(=O)[O-])C(F)(F)F ZINC001610056052 1098532780 /nfs/dbraw/zinc/53/27/80/1098532780.db2.gz SRZJFARVROPEKL-VIFPVBQESA-N -2 3 345.726 2.657 20 0 EFADHL CCc1ccc(C(=O)NC[C@H](C(=O)[O-])c2ccc(F)cc2)c([O-])c1 ZINC001610060388 1098534923 /nfs/dbraw/zinc/53/49/23/1098534923.db2.gz PMZBQYNXRGKVNQ-HNNXBMFYSA-N -2 3 331.343 2.692 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1ccsc1C(=O)[O-])c1ccccc1 ZINC001610227080 1098580313 /nfs/dbraw/zinc/58/03/13/1098580313.db2.gz HJTWLMAHUNRDRP-LBPRGKRZSA-N -2 3 341.410 2.576 20 0 EFADHL Cc1c(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cccc1C(=O)[O-] ZINC001610427098 1098672374 /nfs/dbraw/zinc/67/23/74/1098672374.db2.gz LTZPPMPKNHTFGI-UHFFFAOYSA-N -2 3 327.262 2.820 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc([O-])cc1 ZINC001610488047 1098706259 /nfs/dbraw/zinc/70/62/59/1098706259.db2.gz SSTHOUBVGNPSIR-LLVKDONJSA-N -2 3 343.335 2.583 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)CC2(C(=O)[O-])CCCCC2)c(F)c1 ZINC001610509155 1098721992 /nfs/dbraw/zinc/72/19/92/1098721992.db2.gz DBQSXRVRPUAOPU-UHFFFAOYSA-N -2 3 329.393 2.911 20 0 EFADHL O=C([O-])[C@@H](CC(F)(F)F)NC(=O)c1cc([O-])c2ccccc2c1 ZINC001610681228 1098824538 /nfs/dbraw/zinc/82/45/38/1098824538.db2.gz JMWWIINLYXHOMY-LLVKDONJSA-N -2 3 327.258 2.681 20 0 EFADHL O=C([O-])[C@@H](CC(F)(F)F)NCc1cccc([O-])c1Br ZINC001610716283 1098841889 /nfs/dbraw/zinc/84/18/89/1098841889.db2.gz YVJYLZCCJRVITG-SSDOTTSWSA-N -2 3 342.111 2.650 20 0 EFADHL O=C([O-])C1(CS(=O)(=O)[N-]c2ccc(F)cc2F)CCCCC1 ZINC001610728449 1098855276 /nfs/dbraw/zinc/85/52/76/1098855276.db2.gz IVWFDVJTROMJPI-UHFFFAOYSA-N -2 3 333.356 2.742 20 0 EFADHL O=C([O-])C[C@H](NC(=O)c1cc(=O)c2ccccc2[n-]1)c1cccs1 ZINC001610753339 1098866106 /nfs/dbraw/zinc/86/61/06/1098866106.db2.gz UVVKNLYPYBXPHD-LBPRGKRZSA-N -2 3 342.376 2.535 20 0 EFADHL O=C([O-])c1c(F)cccc1NCc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC001610805768 1098900832 /nfs/dbraw/zinc/90/08/32/1098900832.db2.gz CLYHROOPDHZSJZ-UHFFFAOYSA-N -2 3 331.225 2.650 20 0 EFADHL O=C([O-])c1nsc([N-]C(=O)c2cc(F)c(Cl)cc2Cl)n1 ZINC001610873543 1098948840 /nfs/dbraw/zinc/94/88/40/1098948840.db2.gz WYNPTEMYYFFSSQ-UHFFFAOYSA-N -2 3 336.131 2.935 20 0 EFADHL O=C(Nc1n[nH]c(-c2ccc([O-])c(Cl)c2)n1)c1ccc(F)cc1[O-] ZINC001641484742 1101141082 /nfs/dbraw/zinc/14/10/82/1101141082.db2.gz WYXURASFGZCZET-UHFFFAOYSA-N -2 3 348.721 2.928 20 0 EFADHL O=C(Nc1nc(-c2ccc([O-])c(Cl)c2)n[nH]1)c1ccc(F)cc1[O-] ZINC001641484742 1101141088 /nfs/dbraw/zinc/14/10/88/1101141088.db2.gz WYXURASFGZCZET-UHFFFAOYSA-N -2 3 348.721 2.928 20 0 EFADHL C[C@@H](OCCP(=O)([O-])[O-])c1ccc(F)c(Br)c1 ZINC001224602186 1109947093 /nfs/dbraw/zinc/94/70/93/1109947093.db2.gz OWHFVWQCHZBNBV-SSDOTTSWSA-N -2 3 327.086 2.844 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cn1 ZINC000184589288 1119230764 /nfs/dbraw/zinc/23/07/64/1119230764.db2.gz MKNIEPFVLJRXEG-UHFFFAOYSA-N -2 3 328.777 2.640 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2CCCCCC2)c(F)cc1F ZINC000184856556 1119561718 /nfs/dbraw/zinc/56/17/18/1119561718.db2.gz FGXFXVXJWUNONV-UHFFFAOYSA-N -2 3 333.356 2.664 20 0 EFADHL CC(C)n1c(CCNC(=O)c2ccc([O-])c(Cl)c2)n[n-]c1=S ZINC000067119108 215114072 /nfs/dbraw/zinc/11/40/72/215114072.db2.gz FSSUSSMLLCSNEO-UHFFFAOYSA-N -2 3 340.836 2.853 20 0 EFADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436796604 304006168 /nfs/dbraw/zinc/00/61/68/304006168.db2.gz WPLFITJKCOIOLX-UHFFFAOYSA-N -2 3 349.272 2.843 20 0 EFADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(C(F)(F)F)cc1[O-] ZINC000436796604 304006170 /nfs/dbraw/zinc/00/61/70/304006170.db2.gz WPLFITJKCOIOLX-UHFFFAOYSA-N -2 3 349.272 2.843 20 0 EFADHL O=C([O-])CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000262486989 304061562 /nfs/dbraw/zinc/06/15/62/304061562.db2.gz WQPLEUYDVKYULP-CYBMUJFWSA-N -2 3 339.438 2.503 20 0 EFADHL CCC[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000036838347 213123166 /nfs/dbraw/zinc/12/31/66/213123166.db2.gz DGBFQVHIKWZMJZ-SECBINFHSA-N -2 3 326.201 2.525 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc(C(=O)[O-])ccc2F)cc1C ZINC000032590338 212814129 /nfs/dbraw/zinc/81/41/29/212814129.db2.gz KJGIDUUZIIUUMH-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)Nc1ccc([O-])c(Cl)c1 ZINC000129654788 223078644 /nfs/dbraw/zinc/07/86/44/223078644.db2.gz QPODZBPYZYJXSS-UHFFFAOYSA-N -2 3 335.791 2.987 20 0 EFADHL Cc1ccc(C(=O)NCCC(=O)Nc2cccc(Cl)c2[O-])c([O-])c1 ZINC000172355379 239170067 /nfs/dbraw/zinc/17/00/67/239170067.db2.gz ISTYBDSICYFTKR-UHFFFAOYSA-N -2 3 348.786 2.818 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)ccc1F ZINC000023716934 212391788 /nfs/dbraw/zinc/39/17/88/212391788.db2.gz VJRWBBFWYXAEOB-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL CO[C@@H](C)CS(=O)(=O)[N-]c1cc(Cc2ccccc2)ccc1[O-] ZINC000193332839 240115605 /nfs/dbraw/zinc/11/56/05/240115605.db2.gz MFZFXQIJEYTUTR-ZDUSSCGKSA-N -2 3 335.425 2.760 20 0 EFADHL CC[C@@](C)(C[N-]S(=O)(=O)c1c(Cl)cccc1Cl)C(=O)[O-] ZINC000211115469 241079705 /nfs/dbraw/zinc/07/97/05/241079705.db2.gz JDANQXDGGNEMDA-LBPRGKRZSA-N -2 3 340.228 2.773 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](CC(C)C)C(=O)[O-])sc1Cl ZINC000231807627 242270497 /nfs/dbraw/zinc/27/04/97/242270497.db2.gz GVZSPZXPCUHRCJ-SECBINFHSA-N -2 3 339.866 2.735 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CCCCCC(=O)[O-])sc1Cl ZINC000231806427 242272371 /nfs/dbraw/zinc/27/23/71/242272371.db2.gz XMKUALWUPGKRDV-UHFFFAOYSA-N -2 3 325.839 2.633 20 0 EFADHL O=C([N-]c1n[n-]c(C(F)(F)F)n1)c1cc(-c2ccc(F)cc2)on1 ZINC000134846587 284442363 /nfs/dbraw/zinc/44/23/63/284442363.db2.gz ZEGHIVHLLCLSAS-UHFFFAOYSA-N -2 3 341.224 2.870 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)CCc2cccs2)c1F ZINC000427330417 247337558 /nfs/dbraw/zinc/33/75/58/247337558.db2.gz LGYICFJAROKKDB-UHFFFAOYSA-N -2 3 329.374 2.570 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000013262381 211539576 /nfs/dbraw/zinc/53/95/76/211539576.db2.gz SYAHVIWVKFDLCA-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL COc1cc(C)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c(C)n1 ZINC000443442975 250195749 /nfs/dbraw/zinc/19/57/49/250195749.db2.gz HVDHQQQTFLKYJQ-ALCCZGGFSA-N -2 3 343.383 2.699 20 0 EFADHL CCCn1nc(C)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1C ZINC000443458048 250197822 /nfs/dbraw/zinc/19/78/22/250197822.db2.gz XKGVATUXIJLANX-VURMDHGXSA-N -2 3 344.415 2.902 20 0 EFADHL Cc1nc(=NC(=O)c2cn[n-]c2-c2cc3ccccc3o2)s[n-]1 ZINC000444740293 250339180 /nfs/dbraw/zinc/33/91/80/250339180.db2.gz BSOCHAZNDJGNAJ-UHFFFAOYSA-N -2 3 325.353 2.657 20 0 EFADHL Cc1nc(=NC(=O)c2c[n-]nc2-c2cc3ccccc3o2)s[n-]1 ZINC000444740293 250339183 /nfs/dbraw/zinc/33/91/83/250339183.db2.gz BSOCHAZNDJGNAJ-UHFFFAOYSA-N -2 3 325.353 2.657 20 0 EFADHL CC(C)C[C@H](C[N-]S(=O)(=O)c1cccc(Cl)c1F)C(=O)[O-] ZINC000094702911 218268701 /nfs/dbraw/zinc/26/87/01/218268701.db2.gz URIZKSAQHXCHLT-SECBINFHSA-N -2 3 337.800 2.504 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2C)c(C(=O)[O-])c1 ZINC000095432815 218375195 /nfs/dbraw/zinc/37/51/95/218375195.db2.gz MWDMFAMTLAUALI-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cc(F)cc(Cl)c2O)c1 ZINC000349465569 142332066 /nfs/dbraw/zinc/33/20/66/142332066.db2.gz UTMVTVVKJQTADA-UHFFFAOYSA-N -2 3 347.751 2.700 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc3c(c2)CC(C)(C)O3)c1 ZINC000342755613 145186085 /nfs/dbraw/zinc/18/60/85/145186085.db2.gz JVYIHTNEEGKKBC-UHFFFAOYSA-N -2 3 349.408 2.915 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2cccc(Cl)c2F)c1 ZINC000342781764 145191559 /nfs/dbraw/zinc/19/15/59/145191559.db2.gz NNXMFTVSYZINTJ-UHFFFAOYSA-N -2 3 331.752 2.994 20 0 EFADHL Cc1nc(C=Cc2cn3cc(Cl)ccc3n2)[n-]c(=O)c1CC(=O)[O-] ZINC000349106966 146054057 /nfs/dbraw/zinc/05/40/57/146054057.db2.gz ITWXHVJZFPJIFD-ONEGZZNKSA-N -2 3 344.758 2.589 20 0 EFADHL CCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[n-]2)cc1OC ZINC000349112693 146054486 /nfs/dbraw/zinc/05/44/86/146054486.db2.gz PDELRVNFHOWCGB-VURMDHGXSA-N -2 3 344.367 2.695 20 0 EFADHL O=C(CSc1nc(C(F)F)cc(=O)[n-]1)Nc1ccccc1[O-] ZINC000351886994 146226385 /nfs/dbraw/zinc/22/63/85/146226385.db2.gz RGEGLTGBFBCKRM-UHFFFAOYSA-N -2 3 327.312 2.556 20 0 EFADHL CCc1ccc([O-])c(C(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])c1 ZINC000356157781 147162669 /nfs/dbraw/zinc/16/26/69/147162669.db2.gz GMHVHPDDOFWQSE-UHFFFAOYSA-N -2 3 349.408 2.706 20 0 EFADHL O=C(CSc1n[n-]c(=S)s1)N1CCCc2cccc([O-])c21 ZINC000272597330 266321167 /nfs/dbraw/zinc/32/11/67/266321167.db2.gz YBGUOCQMLZBHMQ-UHFFFAOYSA-N -2 3 339.467 2.604 20 0 EFADHL CCn1nc(C)c(C=Cc2nc(C)c(CCC(=O)[O-])c(=O)[n-]2)c1C ZINC000281781286 273468594 /nfs/dbraw/zinc/46/85/94/273468594.db2.gz DGLFFKXVKPOHKV-SOFGYWHQSA-N -2 3 330.388 2.511 20 0 EFADHL CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000036961338 279003142 /nfs/dbraw/zinc/00/31/42/279003142.db2.gz DXNNTOXWIIZLRO-SNVBAGLBSA-N -2 3 340.228 2.771 20 0 EFADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000291015921 294247953 /nfs/dbraw/zinc/24/79/53/294247953.db2.gz VMSSKBUMKJVQGL-ZETCQYMHSA-N -2 3 345.364 2.546 20 0 EFADHL O=C([N-]c1nnc(C2CCOCC2)s1)c1c(F)ccc([O-])c1F ZINC000294133677 295116310 /nfs/dbraw/zinc/11/63/10/295116310.db2.gz KVOHMDKHDWYFAV-UHFFFAOYSA-N -2 3 341.339 2.668 20 0 EFADHL Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)[N-][C@H]2CCC[C@H](C)C2)c1 ZINC000355506296 301151425 /nfs/dbraw/zinc/15/14/25/301151425.db2.gz DFZMDIGGQUIWMI-ONGXEEELSA-N -2 3 329.393 2.689 20 0 EFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000297228291 310868769 /nfs/dbraw/zinc/86/87/69/310868769.db2.gz OQTXIVQLAFZBCY-QMMMGPOBSA-N -2 3 325.839 2.632 20 0 EFADHL CC1CCC([N-]S(=O)(=O)c2ccc(F)cc2Cl)(C(=O)[O-])CC1 ZINC000314272193 311233286 /nfs/dbraw/zinc/23/32/86/311233286.db2.gz JSLSZTYPRPSLRY-UHFFFAOYSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@H](CCC[C@@H](C)C(=O)[O-])[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000316308756 311235089 /nfs/dbraw/zinc/23/50/89/311235089.db2.gz MVFYDFHJHFEKNQ-NXEZZACHSA-N -2 3 335.372 2.523 20 0 EFADHL O=C([O-])[C@H]1CC[C@H](C[N-]S(=O)(=O)c2cc(F)ccc2Cl)CC1 ZINC000317778719 311236089 /nfs/dbraw/zinc/23/60/89/311236089.db2.gz CLSKTVVXKVHVQB-MGCOHNPYSA-N -2 3 349.811 2.648 20 0 EFADHL C[C@@H]1CCC[C@]([N-]S(=O)(=O)c2cc(F)ccc2Cl)(C(=O)[O-])C1 ZINC000318314634 311236412 /nfs/dbraw/zinc/23/64/12/311236412.db2.gz VGHJAQVFYYPDOC-YMTOWFKASA-N -2 3 349.811 2.791 20 0 EFADHL Cc1ccc(F)c(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c1 ZINC000318554920 311236422 /nfs/dbraw/zinc/23/64/22/311236422.db2.gz IIKBDTMJTPRMJX-NSHDSACASA-N -2 3 331.409 2.692 20 0 EFADHL CC(=O)c1cccc(S(=O)(=O)[N-]c2c(F)cccc2C(=O)[O-])c1 ZINC000322864609 311239614 /nfs/dbraw/zinc/23/96/14/311239614.db2.gz WECHFNAPBMPNIQ-UHFFFAOYSA-N -2 3 337.328 2.527 20 0 EFADHL CS(=O)(=O)[N-]c1ccc(-c2nc(-c3ccc([O-])cc3F)no2)cc1 ZINC000350812690 311825568 /nfs/dbraw/zinc/82/55/68/311825568.db2.gz LPMVCTGKMJKHLX-UHFFFAOYSA-N -2 3 349.343 2.620 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@@H](C)CC(F)(F)F)sc1C(=O)[O-] ZINC000396936208 311958965 /nfs/dbraw/zinc/95/89/65/311958965.db2.gz WVSNWAMTIMXWCD-LURJTMIESA-N -2 3 345.364 2.622 20 0 EFADHL O=C(NCc1ccc([O-])c(F)c1)c1cc(Br)ccc1[O-] ZINC000436978717 312605403 /nfs/dbraw/zinc/60/54/03/312605403.db2.gz IAVLUAWJLDBXKC-UHFFFAOYSA-N -2 3 340.148 2.929 20 0 EFADHL C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)N=c1ccc([O-])n[n-]1 ZINC000484457589 313319718 /nfs/dbraw/zinc/31/97/18/313319718.db2.gz LMRCZAJFRHTQJJ-ZDUSSCGKSA-N -2 3 335.363 2.677 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H](C)Cc2ccccc2C)cc1C(=O)[O-] ZINC000521231553 316009858 /nfs/dbraw/zinc/00/98/58/316009858.db2.gz SRPDZGOCBGQPFI-LLVKDONJSA-N -2 3 337.397 2.504 20 0 EFADHL CC1([N-]S(=O)(=O)c2ccc(C(=O)[O-])s2)CCC(F)(F)CC1 ZINC000530149869 317063195 /nfs/dbraw/zinc/06/31/95/317063195.db2.gz CUPVTLYULIATKE-UHFFFAOYSA-N -2 3 339.385 2.693 20 0 EFADHL Cc1oc(C[N-]S(=O)(=O)c2cc3ccccc3o2)cc1C(=O)[O-] ZINC000543789248 317866480 /nfs/dbraw/zinc/86/64/80/317866480.db2.gz YENJGEYXVZISBA-UHFFFAOYSA-N -2 3 335.337 2.511 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]c2cc(F)cc(C(=O)[O-])c2F)c1 ZINC000547568319 318019542 /nfs/dbraw/zinc/01/95/42/318019542.db2.gz LHYQCRUKQRWASQ-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@@H](C(=O)[O-])C1CC1 ZINC000547578338 318019877 /nfs/dbraw/zinc/01/98/77/318019877.db2.gz JGRXWHUHWMTRNH-GFCCVEGCSA-N -2 3 343.788 2.536 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-]CCCCC(=O)[O-] ZINC000547601221 318020968 /nfs/dbraw/zinc/02/09/68/318020968.db2.gz CKOOIJDCQALCPX-UHFFFAOYSA-N -2 3 345.804 2.928 20 0 EFADHL CC(C)(C)[C@H](C[N-]S(=O)(=O)c1ccc(Cl)s1)CC(=O)[O-] ZINC000547880741 318051073 /nfs/dbraw/zinc/05/10/73/318051073.db2.gz ZAVWIZMQSQREOM-QMMMGPOBSA-N -2 3 339.866 2.817 20 0 EFADHL Cc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@H](C)O2 ZINC000547883499 318051104 /nfs/dbraw/zinc/05/11/04/318051104.db2.gz QLFWSWHLDXSJIX-NSHDSACASA-N -2 3 347.392 2.817 20 0 EFADHL C[C@@H]1CC[C@@](C[N-]S(=O)(=O)c2cc(F)cc(F)c2)(CC(=O)[O-])C1 ZINC000547899426 318051598 /nfs/dbraw/zinc/05/15/98/318051598.db2.gz VVSZPMSRMDIHDH-BMIGLBTASA-N -2 3 347.383 2.524 20 0 EFADHL CC(C)CCS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1OC(C)C ZINC000547935123 318053472 /nfs/dbraw/zinc/05/34/72/318053472.db2.gz SILCQWSBJLQKNN-UHFFFAOYSA-N -2 3 329.418 2.960 20 0 EFADHL Cc1c2cc(Cl)ccc2oc1S(=O)(=O)[N-][C@H](C)CCC(=O)[O-] ZINC000547939130 318054266 /nfs/dbraw/zinc/05/42/66/318054266.db2.gz YUPNABVUKFSZIV-MRVPVSSYSA-N -2 3 345.804 2.926 20 0 EFADHL O=C([O-])c1cc(F)cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1F ZINC000547941430 318054291 /nfs/dbraw/zinc/05/42/91/318054291.db2.gz PAVSDNLSQFJXEP-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]CC[C@H](C)CC(=O)[O-] ZINC000548268983 318087794 /nfs/dbraw/zinc/08/77/94/318087794.db2.gz YSADMCIXFYGEER-VIFPVBQESA-N -2 3 343.376 2.660 20 0 EFADHL Cc1c2cc(F)ccc2oc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])C(C)C ZINC000548268614 318087819 /nfs/dbraw/zinc/08/78/19/318087819.db2.gz DYWWTSZTSSVOQZ-LBPRGKRZSA-N -2 3 343.376 2.515 20 0 EFADHL O=C([O-])c1ccc([N-]S(=O)(=O)Cc2cccc(F)c2)c(F)c1 ZINC000548527318 318117935 /nfs/dbraw/zinc/11/79/35/318117935.db2.gz WVEBTKRKTLQJSZ-UHFFFAOYSA-N -2 3 327.308 2.605 20 0 EFADHL Cc1cccc(S(=O)(=O)[N-]C[C@]2(CC(=O)[O-])CC[C@@H](C)C2)c1F ZINC000548550563 318119053 /nfs/dbraw/zinc/11/90/53/318119053.db2.gz CEIXJTDGMVQMPR-BDJLRTHQSA-N -2 3 343.420 2.694 20 0 EFADHL Cc1ccccc1S(=O)(=O)[N-]c1cc(F)cc(C(=O)[O-])c1F ZINC000548555016 318119100 /nfs/dbraw/zinc/11/91/00/318119100.db2.gz SXGIQAZASVLYQS-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL CC(C)(C[N-]S(=O)(=O)c1cc2cc(Cl)ccc2s1)C(=O)[O-] ZINC000548556140 318119466 /nfs/dbraw/zinc/11/94/66/318119466.db2.gz VNGWWAWFBJDOMZ-UHFFFAOYSA-N -2 3 347.845 2.944 20 0 EFADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1cc(C)ccc1F)C(=O)[O-] ZINC000548591993 318121336 /nfs/dbraw/zinc/12/13/36/318121336.db2.gz MTRUPLFCHTZZBQ-GWCFXTLKSA-N -2 3 331.409 2.692 20 0 EFADHL CCC[C@@H](C)C[C@@H]([N-]S(=O)(=O)c1c(C)cccc1F)C(=O)[O-] ZINC000548592476 318121397 /nfs/dbraw/zinc/12/13/97/318121397.db2.gz HEXIGSQUNIJJKM-ZWNOBZJWSA-N -2 3 331.409 2.692 20 0 EFADHL CCC[C@H](C)C[C@H]([N-]S(=O)(=O)c1c(C)cccc1F)C(=O)[O-] ZINC000548592220 318121479 /nfs/dbraw/zinc/12/14/79/318121479.db2.gz HEXIGSQUNIJJKM-GWCFXTLKSA-N -2 3 331.409 2.692 20 0 EFADHL CCc1ncc(S(=O)(=O)[N-][C@@](C)(CCC(C)(C)C)C(=O)[O-])s1 ZINC000551233283 318203747 /nfs/dbraw/zinc/20/37/47/318203747.db2.gz NYESUXRKJKZSFZ-AWEZNQCLSA-N -2 3 348.490 2.653 20 0 EFADHL CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N=c1ccc([O-])n[n-]1 ZINC000551650176 318211664 /nfs/dbraw/zinc/21/16/64/318211664.db2.gz JKHKGIBOPLKIHG-LLVKDONJSA-N -2 3 339.317 2.830 20 0 EFADHL O=c1nc(-c2ccc3n[n-]nc3c2)[n-]c2c(-c3ccccc3)nsc21 ZINC000551914416 318225040 /nfs/dbraw/zinc/22/50/40/318225040.db2.gz YIPRENMNKRVWDD-UHFFFAOYSA-N -2 3 346.375 2.985 20 0 EFADHL CC(C)(C)CC[C@](C)([N-]S(=O)(=O)c1ccc(F)c(F)c1)C(=O)[O-] ZINC000556411908 318389495 /nfs/dbraw/zinc/38/94/95/318389495.db2.gz KXHGVGBSUOZDSA-HNNXBMFYSA-N -2 3 349.399 2.913 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-][C@@]2(C(=O)[O-])CCC[C@H](C)C2)cc1F ZINC000558589078 318476797 /nfs/dbraw/zinc/47/67/97/318476797.db2.gz XAULEWHVWJYENB-VFZGTOFNSA-N -2 3 347.383 2.585 20 0 EFADHL CC(C)(C)CC[C@@](C)([N-]S(=O)(=O)c1ccccc1F)C(=O)[O-] ZINC000560079884 318526815 /nfs/dbraw/zinc/52/68/15/318526815.db2.gz HVTYEJSSNLOEOB-OAHLLOKOSA-N -2 3 331.409 2.774 20 0 EFADHL CC(C)[C@H]1C[C@@]([N-]S(=O)(=O)c2ccoc2)(C(=O)[O-])c2ccccc21 ZINC000560418791 318549161 /nfs/dbraw/zinc/54/91/61/318549161.db2.gz IQLDUINNLYFTJL-PBHICJAKSA-N -2 3 349.408 2.681 20 0 EFADHL Cc1csc(S(=O)(=O)[N-][C@H](CC(=O)[O-])C2CCCCC2)c1 ZINC000564327138 318854667 /nfs/dbraw/zinc/85/46/67/318854667.db2.gz WYTVMLFXGGREPG-GFCCVEGCSA-N -2 3 331.459 2.758 20 0 EFADHL O=C([O-])c1cccc2c1CCCN2Cc1cc(=O)[n-]c(C2CC2)n1 ZINC000564461850 318864438 /nfs/dbraw/zinc/86/44/38/318864438.db2.gz ISJOHUBLKOMKFW-UHFFFAOYSA-N -2 3 325.368 2.711 20 0 EFADHL CCC[C@](C)([N-]S(=O)(=O)c1oc2ccc(F)cc2c1C)C(=O)[O-] ZINC000566175323 319043469 /nfs/dbraw/zinc/04/34/69/319043469.db2.gz ZMQDJOSLGQHATN-HNNXBMFYSA-N -2 3 343.376 2.802 20 0 EFADHL CC(C)(C)c1ccc(C(=O)[O-])c([N-]S(=O)(=O)[C@@H]2CCCOC2)c1 ZINC000566630115 319097049 /nfs/dbraw/zinc/09/70/49/319097049.db2.gz OKTHOUAQQCCBLQ-GFCCVEGCSA-N -2 3 341.429 2.603 20 0 EFADHL CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C[C@H](C)CC(=O)[O-])c2)n1 ZINC000566926023 319123128 /nfs/dbraw/zinc/12/31/28/319123128.db2.gz GGDXBFBNVZJQQB-NSHDSACASA-N -2 3 343.383 2.851 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2c2ccccc2)c1 ZINC000567794410 319212453 /nfs/dbraw/zinc/21/24/53/319212453.db2.gz WWZNYPZOGDMYES-UONOGXRCSA-N -2 3 335.381 2.592 20 0 EFADHL CCC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cc(C(=O)[O-])co1 ZINC000567799293 319212661 /nfs/dbraw/zinc/21/26/61/319212661.db2.gz JQOQSVBBRNWWHV-AWEZNQCLSA-N -2 3 337.397 2.668 20 0 EFADHL CCc1ccc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(N(C)C)cc1 ZINC000569306634 319366849 /nfs/dbraw/zinc/36/68/49/319366849.db2.gz MYSFUCUKGXMNGW-UHFFFAOYSA-N -2 3 348.424 2.814 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)C[C@H]2CCCC2(F)F)c1F ZINC000570922227 319525561 /nfs/dbraw/zinc/52/55/61/319525561.db2.gz YQHSMNVSBRWUOQ-MRVPVSSYSA-N -2 3 337.319 2.701 20 0 EFADHL CSc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)CCC(F)(F)F ZINC000572861752 319711914 /nfs/dbraw/zinc/71/19/14/319711914.db2.gz YMJAGLLJVNTXMW-UHFFFAOYSA-N -2 3 343.348 2.801 20 0 EFADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)C(=O)[O-] ZINC000577134224 320080487 /nfs/dbraw/zinc/08/04/87/320080487.db2.gz UQNYDEPKHDLYTL-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)[C@H](C)c1ccccc1 ZINC000576870266 320056120 /nfs/dbraw/zinc/05/61/20/320056120.db2.gz QFESJXVRGKFPPC-WDEREUQCSA-N -2 3 339.438 2.917 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H]2CCCC[C@@H]2CC(=O)[O-])c(F)cc1F ZINC000577356548 320102548 /nfs/dbraw/zinc/10/25/48/320102548.db2.gz CSNNTQCSSAHWKW-ZWNOBZJWSA-N -2 3 347.383 2.585 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000577726198 320138440 /nfs/dbraw/zinc/13/84/40/320138440.db2.gz QRRWZRICQFDINH-HIFRSBDPSA-N -2 3 349.408 2.668 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@@H]2CC[C@H](Cc3ccccc3)C2)c1 ZINC000577726199 320138467 /nfs/dbraw/zinc/13/84/67/320138467.db2.gz QRRWZRICQFDINH-UKRRQHHQSA-N -2 3 349.408 2.668 20 0 EFADHL O=C([O-])c1coc(S(=O)(=O)[N-][C@H]2CC[C@@H](Cc3ccccc3)C2)c1 ZINC000577726200 320138480 /nfs/dbraw/zinc/13/84/80/320138480.db2.gz QRRWZRICQFDINH-ZFWWWQNUSA-N -2 3 349.408 2.668 20 0 EFADHL COc1cc(C)cc(C)c1S(=O)(=O)[N-]c1cccc([O-])c1F ZINC000578282313 320190448 /nfs/dbraw/zinc/19/04/48/320190448.db2.gz BDXOZJCBKVXJJO-UHFFFAOYSA-N -2 3 325.361 2.958 20 0 EFADHL C[C@@H]([N-]S(=O)(=O)c1cc(C(=O)[O-])cs1)c1c(F)cccc1F ZINC000386439873 323762022 /nfs/dbraw/zinc/76/20/22/323762022.db2.gz DWNSKURDFOCPGX-SSDOTTSWSA-N -2 3 347.364 2.764 20 0 EFADHL CC[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000387634477 323766124 /nfs/dbraw/zinc/76/61/24/323766124.db2.gz RFUJJCMCRGPMNT-GWCFXTLKSA-N -2 3 329.393 2.771 20 0 EFADHL C[C@@]1(C(=O)[O-])CCCC[C@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000387699566 323766171 /nfs/dbraw/zinc/76/61/71/323766171.db2.gz OZWBECAESXGLJH-TZMCWYRMSA-N -2 3 349.811 2.791 20 0 EFADHL CCC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])c1ccccc1 ZINC000388428630 323769526 /nfs/dbraw/zinc/76/95/26/323769526.db2.gz FHCWWZOONVJXKP-NSHDSACASA-N -2 3 340.426 2.661 20 0 EFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000391796252 323784280 /nfs/dbraw/zinc/78/42/80/323784280.db2.gz IPKJDAGMVHPQES-QMMMGPOBSA-N -2 3 340.228 2.915 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCCC(C)(C)C ZINC000578863952 323828833 /nfs/dbraw/zinc/82/88/33/323828833.db2.gz ZHDBGOJTKNESKH-UHFFFAOYSA-N -2 3 335.447 2.560 20 0 EFADHL O=c1cc(CSCc2cc(=O)[n-]c(C3CC3)n2)nc(C2CC2)[n-]1 ZINC000580942512 324272345 /nfs/dbraw/zinc/27/23/45/324272345.db2.gz INNMAYRPMLCDRF-UHFFFAOYSA-N -2 3 330.413 2.866 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H](C)[C@H](C)c2ccccc2)cc1C(=O)[O-] ZINC000580950348 324274282 /nfs/dbraw/zinc/27/42/82/324274282.db2.gz KXZBRGPLTQREAG-QWRGUYRKSA-N -2 3 337.397 2.757 20 0 EFADHL C[C@@H](CCC[N-]S(=O)(=O)c1ccc2ccccc2c1F)C(=O)[O-] ZINC000582285430 324560006 /nfs/dbraw/zinc/56/00/06/324560006.db2.gz AJGAMYNFOKVDSZ-NSHDSACASA-N -2 3 339.388 2.758 20 0 EFADHL O=C([O-])[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C1CCC1 ZINC000399206214 476881400 /nfs/dbraw/zinc/88/14/00/476881400.db2.gz NJEWVGHUYSVQMX-LLVKDONJSA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCC1 ZINC000399208557 476881997 /nfs/dbraw/zinc/88/19/97/476881997.db2.gz OJDNYENVUVDSCB-NSHDSACASA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])[C@@H]([N-]S(=O)(=O)c1c(Cl)cccc1Cl)C1CCC1 ZINC000399223877 476882173 /nfs/dbraw/zinc/88/21/73/476882173.db2.gz WIPFRXMCHBOQNB-JTQLQIEISA-N -2 3 338.212 2.525 20 0 EFADHL Cc1cc(C)[n-]c(=N[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)n1 ZINC000007385625 471611261 /nfs/dbraw/zinc/61/12/61/471611261.db2.gz NGOSLXGIZZUTGX-UHFFFAOYSA-N -2 3 347.227 2.706 20 0 EFADHL Cc1cc(C(=O)[O-])ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000012541598 471778749 /nfs/dbraw/zinc/77/87/49/471778749.db2.gz XXGHFVAJGMNXGZ-UHFFFAOYSA-N -2 3 331.393 2.983 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)[O-])cc1 ZINC000013263433 471823447 /nfs/dbraw/zinc/82/34/47/471823447.db2.gz XIHMVSULKSZXDQ-UHFFFAOYSA-N -2 3 341.772 2.848 20 0 EFADHL O=C([O-])c1csc(S(=O)(=O)[N-][C@H](c2ccccc2)C2CC2)c1 ZINC000013455521 471831000 /nfs/dbraw/zinc/83/10/00/471831000.db2.gz FHSRNCBSHZXMBR-CQSZACIVSA-N -2 3 337.422 2.876 20 0 EFADHL CC[C@@H](C)[C@H]([N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1)C(=O)[O-] ZINC000020302228 471988686 /nfs/dbraw/zinc/98/86/86/471988686.db2.gz MXRBSFRNBRYOBA-HQJQHLMTSA-N -2 3 340.228 2.771 20 0 EFADHL CC[C@@H](C)[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000036961353 472008656 /nfs/dbraw/zinc/00/86/56/472008656.db2.gz NQBNAUPDCGAHAA-RDDDGLTNSA-N -2 3 340.228 2.771 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c(C)c1O ZINC000042794720 472170356 /nfs/dbraw/zinc/17/03/56/472170356.db2.gz JSOCCRSOGYOQDZ-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL CC(C)[C@H](C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000087491886 472340041 /nfs/dbraw/zinc/34/00/41/472340041.db2.gz FVBCCKSNPDPQAD-VIFPVBQESA-N -2 3 340.228 2.629 20 0 EFADHL Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)c1 ZINC000031665144 472387829 /nfs/dbraw/zinc/38/78/29/472387829.db2.gz OVLBFSVKDOTIST-UHFFFAOYSA-N -2 3 335.381 2.816 20 0 EFADHL O=C([O-])[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC000097063269 472430836 /nfs/dbraw/zinc/43/08/36/472430836.db2.gz IJRNHGOVVXEKLK-SFYZADRCSA-N -2 3 338.212 2.525 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)cc1 ZINC000045945853 472489292 /nfs/dbraw/zinc/48/92/92/472489292.db2.gz VESPVUVBEBDZJX-UHFFFAOYSA-N -2 3 335.381 2.811 20 0 EFADHL O=C([O-])CCCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000070198426 472495324 /nfs/dbraw/zinc/49/53/24/472495324.db2.gz LCJIDYMWEDTABW-UHFFFAOYSA-N -2 3 326.201 2.527 20 0 EFADHL Cc1ccc(-c2nc([N-]C(=O)c3cnc([C@@H]4CCCO4)s3)n[n-]2)o1 ZINC000089855774 472525489 /nfs/dbraw/zinc/52/54/89/472525489.db2.gz LCJPKGFAOYZHOC-JTQLQIEISA-N -2 3 345.384 2.933 20 0 EFADHL Cc1sc(C(=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000071415317 472550142 /nfs/dbraw/zinc/55/01/42/472550142.db2.gz HFPSYWVEXWQWBY-UHFFFAOYSA-N -2 3 333.337 2.834 20 0 EFADHL CCOc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)[O-] ZINC000071837534 472579889 /nfs/dbraw/zinc/57/98/89/472579889.db2.gz YZATVTXRMKJEOZ-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL O=C(NCc1ccc([O-])c(F)c1)c1ccc(Br)c([O-])c1 ZINC000133499171 472810347 /nfs/dbraw/zinc/81/03/47/472810347.db2.gz ZDAZLHNBBANBEF-UHFFFAOYSA-N -2 3 340.148 2.929 20 0 EFADHL CCCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1[O-] ZINC000157723451 472851575 /nfs/dbraw/zinc/85/15/75/472851575.db2.gz YQKMIRLLNMQXKE-UHFFFAOYSA-N -2 3 334.397 2.796 20 0 EFADHL CC(C)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000136253284 473146288 /nfs/dbraw/zinc/14/62/88/473146288.db2.gz YIRDWMZMHOLLQT-LLVKDONJSA-N -2 3 340.228 2.771 20 0 EFADHL CC(C)(C)[C@H](CC(=O)[O-])[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000136743058 473174937 /nfs/dbraw/zinc/17/49/37/473174937.db2.gz MJSXRWKNTCDOLH-JTQLQIEISA-N -2 3 337.800 2.647 20 0 EFADHL C[C@H](CCC(=O)[O-])C[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000123869265 473194333 /nfs/dbraw/zinc/19/43/33/473194333.db2.gz AWKQLEIMYWBENE-MRVPVSSYSA-N -2 3 340.228 2.773 20 0 EFADHL CC(=O)Nc1cc(S(=O)(=O)[N-]c2cccc(F)c2C)ccc1[O-] ZINC000163900707 473471486 /nfs/dbraw/zinc/47/14/86/473471486.db2.gz XJBSLVZOHHMKAX-UHFFFAOYSA-N -2 3 338.360 2.599 20 0 EFADHL O=C([O-])[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc2ccccc2c1 ZINC000191474913 473544690 /nfs/dbraw/zinc/54/46/90/473544690.db2.gz DZDSVZYGKFAAFL-KRWDZBQOSA-N -2 3 346.346 2.667 20 0 EFADHL Cc1ccc(C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)c([O-])c1 ZINC000262859578 473730687 /nfs/dbraw/zinc/73/06/87/473730687.db2.gz YUZRYTDPBOTHJJ-UHFFFAOYSA-N -2 3 343.379 2.874 20 0 EFADHL O=C([O-])[C@@H]1CCCN(C(=O)c2cc(Cc3ccccc3)ccc2[O-])C1 ZINC000263415918 473753358 /nfs/dbraw/zinc/75/33/58/473753358.db2.gz KADYHIUNOZANHR-MRXNPFEDSA-N -2 3 339.391 2.920 20 0 EFADHL CCC[C@H](NC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000263437180 473755670 /nfs/dbraw/zinc/75/56/70/473755670.db2.gz OVVWTIBAANUBDG-QMMMGPOBSA-N -2 3 327.793 2.775 20 0 EFADHL CCC[C@H](CCCC[N-]S(=O)(=O)c1sc(C)nc1C)C(=O)[O-] ZINC000281875922 473867876 /nfs/dbraw/zinc/86/78/76/473867876.db2.gz WSLNHJGUDCRGKE-GFCCVEGCSA-N -2 3 348.490 2.709 20 0 EFADHL C[C@@H](CC[N-]S(=O)(=O)c1ccc(Cl)cc1Cl)CC(=O)[O-] ZINC000281994340 473910910 /nfs/dbraw/zinc/91/09/10/473910910.db2.gz NSUYFXABHXMHCV-QMMMGPOBSA-N -2 3 340.228 2.773 20 0 EFADHL CCOC(=O)c1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)n[n-]1 ZINC000180938901 473990428 /nfs/dbraw/zinc/99/04/28/473990428.db2.gz WKRDHJBCNPBDOX-UHFFFAOYSA-N -2 3 344.154 2.851 20 0 EFADHL CCOC(=O)c1cc(NC(=O)c2c([O-])cc(Cl)cc2Cl)[n-]n1 ZINC000180938901 473990435 /nfs/dbraw/zinc/99/04/35/473990435.db2.gz WKRDHJBCNPBDOX-UHFFFAOYSA-N -2 3 344.154 2.851 20 0 EFADHL Cc1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)CCC(=O)[O-])c1Cl ZINC000275084205 474064631 /nfs/dbraw/zinc/06/46/31/474064631.db2.gz ZIBZQMAZUFFKIE-MRVPVSSYSA-N -2 3 340.228 2.833 20 0 EFADHL COc1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C[C@@H](C)C(=O)[O-])c1 ZINC000275179058 474095208 /nfs/dbraw/zinc/09/52/08/474095208.db2.gz KCPSOHUUXLYRGZ-SECBINFHSA-N -2 3 349.836 2.516 20 0 EFADHL Cc1ccc(C(=O)NCCC(=O)Nc2ccc([O-])c(Cl)c2)c([O-])c1 ZINC000183416698 474378059 /nfs/dbraw/zinc/37/80/59/474378059.db2.gz RLNMACULLIZUPA-UHFFFAOYSA-N -2 3 348.786 2.818 20 0 EFADHL CC(C)OCCS(=O)(=O)[N-]c1c(C(=O)[O-])cccc1C(C)C ZINC000267312716 474645165 /nfs/dbraw/zinc/64/51/65/474645165.db2.gz MBYXCPLOPKGHSB-UHFFFAOYSA-N -2 3 329.418 2.675 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1cccc(Cl)c1Cl)C(=O)[O-] ZINC000312245546 474847878 /nfs/dbraw/zinc/84/78/78/474847878.db2.gz LIKROBPSTPVDRG-UHFFFAOYSA-N -2 3 340.228 2.773 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)CCCC(F)(F)F)c1F ZINC000314389910 474862362 /nfs/dbraw/zinc/86/23/62/474862362.db2.gz RYYUXXDQFOFGBI-UHFFFAOYSA-N -2 3 329.271 2.608 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)cc1 ZINC000315225223 474868880 /nfs/dbraw/zinc/86/88/80/474868880.db2.gz PYPLJUKINGXJEO-UHFFFAOYSA-N -2 3 331.271 2.603 20 0 EFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cccc(F)c1F ZINC000315456595 474871625 /nfs/dbraw/zinc/87/16/25/474871625.db2.gz AXBXLJGSKVXVEN-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL Cc1c(C(=O)[O-])cccc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000315599768 474872632 /nfs/dbraw/zinc/87/26/32/474872632.db2.gz SYPOGJWAPCPZIU-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL C[C@H]([N-]S(=O)(=O)c1csc(C(=O)[O-])c1)c1c(F)cccc1F ZINC000316388545 474877833 /nfs/dbraw/zinc/87/78/33/474877833.db2.gz YCBNFKABJDECKN-ZETCQYMHSA-N -2 3 347.364 2.764 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1C(=O)[O-] ZINC000319573917 474900586 /nfs/dbraw/zinc/90/05/86/474900586.db2.gz IPWBACAHZQKQCL-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)[O-])cc2F)cc1C ZINC000320603121 474915762 /nfs/dbraw/zinc/91/57/62/474915762.db2.gz YEGVSRFFLYLDOS-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL COc1ccc(F)c([N-]S(=O)(=O)c2cccc(C(=O)[O-])c2C)c1 ZINC000321128938 474921856 /nfs/dbraw/zinc/92/18/56/474921856.db2.gz IUHVJHOOWWHHPH-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL COc1cc(C=Cc2nc(C)cc(=O)[n-]2)ccc1OCCC(=O)[O-] ZINC000339115974 474940892 /nfs/dbraw/zinc/94/08/92/474940892.db2.gz WFZQADSYJOBYAD-XQRVVYSFSA-N -2 3 330.340 2.523 20 0 EFADHL COc1ccc(F)c([N-]S(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)c1 ZINC000323637422 474950715 /nfs/dbraw/zinc/95/07/15/474950715.db2.gz QXQCOEKEIGJZTO-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL COCCc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000326666248 475009354 /nfs/dbraw/zinc/00/93/54/475009354.db2.gz IZXGTAHWUWLRDT-UHFFFAOYSA-N -2 3 349.408 2.683 20 0 EFADHL COc1ccc(CCC(=O)[O-])cc1[N-]S(=O)(=O)C1=CCCCC1 ZINC000295971640 475149603 /nfs/dbraw/zinc/14/96/03/475149603.db2.gz NLUOOMLLJFDWRR-UHFFFAOYSA-N -2 3 339.413 2.912 20 0 EFADHL CSc1cc2c(cc1[N-]C(=O)c1cc(C(=O)[O-])co1)OCCO2 ZINC000352396550 475253035 /nfs/dbraw/zinc/25/30/35/475253035.db2.gz CKOVXODDCUBDJK-UHFFFAOYSA-N -2 3 335.337 2.723 20 0 EFADHL Cc1nc(C=Cc2ccc(OC(F)F)cc2)[n-]c(=O)c1CC(=O)[O-] ZINC000347415480 475308792 /nfs/dbraw/zinc/30/87/92/475308792.db2.gz IBFASBYMWXCAJO-QPJJXVBHSA-N -2 3 336.294 2.890 20 0 EFADHL COc1ccc([O-])c(C(=O)N[C@H](C(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000345754472 475422875 /nfs/dbraw/zinc/42/28/75/475422875.db2.gz VTQUAOZCHGPOBQ-AWEZNQCLSA-N -2 3 335.743 2.610 20 0 EFADHL O=C([O-])CC[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000296829207 475495346 /nfs/dbraw/zinc/49/53/46/475495346.db2.gz AZLVVFHTLOWHAV-DGCLKSJQSA-N -2 3 329.393 2.528 20 0 EFADHL CC[C@@H](CCC(=O)[O-])[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000297166605 475637016 /nfs/dbraw/zinc/63/70/16/475637016.db2.gz KCZNNILDAXLFTG-QMMMGPOBSA-N -2 3 340.228 2.915 20 0 EFADHL O=C([O-])CCc1cccc(NC(=O)c2cn[n-]c2-c2ccncc2)c1 ZINC000353164438 475737135 /nfs/dbraw/zinc/73/71/35/475737135.db2.gz RKERSLUNUMNJSD-UHFFFAOYSA-N -2 3 336.351 2.741 20 0 EFADHL O=C([O-])CCc1cccc(NC(=O)c2c[n-]nc2-c2ccncc2)c1 ZINC000353164438 475737141 /nfs/dbraw/zinc/73/71/41/475737141.db2.gz RKERSLUNUMNJSD-UHFFFAOYSA-N -2 3 336.351 2.741 20 0 EFADHL Cc1ccsc1C[N-]S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000355476380 475971232 /nfs/dbraw/zinc/97/12/32/475971232.db2.gz VYHDDZVFPDKERM-UHFFFAOYSA-N -2 3 343.401 2.681 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1C(=O)[O-] ZINC000362126960 476017069 /nfs/dbraw/zinc/01/70/69/476017069.db2.gz WSZVNRCMQSNERN-LLVKDONJSA-N -2 3 347.392 2.817 20 0 EFADHL CC(C)[C@@H]([N-]S(=O)(=O)c1c(Cl)ccc2ccccc21)C(=O)[O-] ZINC000340448938 476041444 /nfs/dbraw/zinc/04/14/44/476041444.db2.gz APYIXVZHMSRVFV-CYBMUJFWSA-N -2 3 341.816 2.881 20 0 EFADHL CC(C)(C)CC[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)C(=O)[O-] ZINC000362230577 476095516 /nfs/dbraw/zinc/09/55/16/476095516.db2.gz XGQIUGYDNCVURA-QMMMGPOBSA-N -2 3 339.866 2.959 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2cccc(Cl)c2)c1F ZINC000336847987 476140171 /nfs/dbraw/zinc/14/01/71/476140171.db2.gz HCRDONPRCGAKLS-UHFFFAOYSA-N -2 3 329.736 2.978 20 0 EFADHL COc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2C)cc1F ZINC000336875684 476159619 /nfs/dbraw/zinc/15/96/19/476159619.db2.gz KHSZJEAVCBVTKH-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL O=C([O-])c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1F ZINC000336877281 476163169 /nfs/dbraw/zinc/16/31/69/476163169.db2.gz YEVDNSDCLYDEJR-UHFFFAOYSA-N -2 3 335.356 2.813 20 0 EFADHL COc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000359079772 476170829 /nfs/dbraw/zinc/17/08/29/476170829.db2.gz GYOIFGFSDHWKDZ-UHFFFAOYSA-N -2 3 339.344 2.642 20 0 EFADHL Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)ccc1C(=O)[O-] ZINC000357196610 476285615 /nfs/dbraw/zinc/28/56/15/476285615.db2.gz CYCZUMJWWAEKFV-UHFFFAOYSA-N -2 3 347.392 2.819 20 0 EFADHL Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)ccc1[O-] ZINC000353871753 476307075 /nfs/dbraw/zinc/30/70/75/476307075.db2.gz OQOYCSLTDVIZOD-UHFFFAOYSA-N -2 3 329.381 2.683 20 0 EFADHL CC(C)(C)c1nc(=NC(=O)Cc2ccc([O-])cc2Cl)s[n-]1 ZINC000357446789 476388610 /nfs/dbraw/zinc/38/86/10/476388610.db2.gz SWPKOAFRMCOZIP-UHFFFAOYSA-N -2 3 325.821 2.798 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@H](C(=O)[O-])C(C)C)sc1Cl ZINC000399728083 476886162 /nfs/dbraw/zinc/88/61/62/476886162.db2.gz KYGFCUCJVLWIEY-WCBMZHEXSA-N -2 3 339.866 2.734 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H](CC(=O)[O-])CC(C)(C)C)c(F)c1 ZINC000404968823 476924683 /nfs/dbraw/zinc/92/46/83/476924683.db2.gz MLZIFIIXITYQQL-NSHDSACASA-N -2 3 331.409 2.692 20 0 EFADHL O=C([O-])c1cc(F)cc(S(=O)(=O)[N-]c2cc(F)cc(F)c2F)c1 ZINC000431164525 476988772 /nfs/dbraw/zinc/98/87/72/476988772.db2.gz XMRPEFPLAMVSBT-UHFFFAOYSA-N -2 3 349.261 2.742 20 0 EFADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(F)cc(Cl)c1)C(=O)[O-] ZINC000424366472 477380327 /nfs/dbraw/zinc/38/03/27/477380327.db2.gz IZGHYLHIHDGJPO-UHFFFAOYSA-N -2 3 337.800 2.648 20 0 EFADHL CCC(CC)(C[N-]S(=O)(=O)c1cc(OC)ccc1Cl)C(=O)[O-] ZINC000424367373 477381358 /nfs/dbraw/zinc/38/13/58/477381358.db2.gz LSXAGTDCGGCNJI-UHFFFAOYSA-N -2 3 349.836 2.518 20 0 EFADHL CC(C)(CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1)C(=O)[O-] ZINC000424393889 477388279 /nfs/dbraw/zinc/38/82/79/477388279.db2.gz RVRMJFYGYGIMRK-UHFFFAOYSA-N -2 3 345.364 2.546 20 0 EFADHL O=S(=O)([N-]c1cccc(O)c1)c1cc(C(F)(F)F)ccc1[O-] ZINC000436478266 477488569 /nfs/dbraw/zinc/48/85/69/477488569.db2.gz LOWQTCIUBSKBCB-UHFFFAOYSA-N -2 3 333.287 2.917 20 0 EFADHL COC(=O)c1cccc2nc(NC(=O)c3cc(Cl)ccc3[O-])[n-]c21 ZINC000436599661 477528854 /nfs/dbraw/zinc/52/88/54/477528854.db2.gz BNPUWRCOOMSIDZ-UHFFFAOYSA-N -2 3 345.742 2.961 20 0 EFADHL COC(=O)c1cccc2[n-]c(NC(=O)c3cc(Cl)ccc3[O-])nc21 ZINC000436599661 477528861 /nfs/dbraw/zinc/52/88/61/477528861.db2.gz BNPUWRCOOMSIDZ-UHFFFAOYSA-N -2 3 345.742 2.961 20 0 EFADHL CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)c(C)c2[O-])c1 ZINC000436696207 477561549 /nfs/dbraw/zinc/56/15/49/477561549.db2.gz HVYYEVRNNJFCSF-UHFFFAOYSA-N -2 3 349.408 2.761 20 0 EFADHL O=C(Nc1cccc(-c2nnn[n-]2)c1)c1cc2ccccc2cc1[O-] ZINC000436758459 477584038 /nfs/dbraw/zinc/58/40/38/477584038.db2.gz YZQAFIFVWZPMRA-UHFFFAOYSA-N -2 3 331.335 2.978 20 0 EFADHL O=C(Nc1cccc(-c2nn[n-]n2)c1)c1cc2ccccc2cc1[O-] ZINC000436758459 477584046 /nfs/dbraw/zinc/58/40/46/477584046.db2.gz YZQAFIFVWZPMRA-UHFFFAOYSA-N -2 3 331.335 2.978 20 0 EFADHL Cc1ncc(CNC(=O)c2cc(Cl)c3ccccc3c2[O-])c(=O)[n-]1 ZINC000436827084 477602512 /nfs/dbraw/zinc/60/25/12/477602512.db2.gz MQERXMFJUHPWSM-UHFFFAOYSA-N -2 3 343.770 2.933 20 0 EFADHL O=C([O-])c1ccc([O-])c(S(=O)(=O)[N-]c2cc(Cl)ccc2F)c1 ZINC000436892232 477627285 /nfs/dbraw/zinc/62/72/85/477627285.db2.gz JDBBNBLLSXQENY-UHFFFAOYSA-N -3 3 345.735 2.684 20 0 EFADHL Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)c([O-])c1 ZINC000436934960 477641078 /nfs/dbraw/zinc/64/10/78/477641078.db2.gz ISDYWEICMAWXNP-OAHLLOKOSA-N -2 3 327.380 2.907 20 0 EFADHL CCOCc1ccc([N-]S(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000438725034 477882323 /nfs/dbraw/zinc/88/23/23/477882323.db2.gz QFJRFMFNIUDGNK-UHFFFAOYSA-N -2 3 335.381 2.722 20 0 EFADHL Cc1ccc(C[C@H](C)[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c(C)c1 ZINC000517234101 478066773 /nfs/dbraw/zinc/06/67/73/478066773.db2.gz SKXYGEOTTDOXTK-LBPRGKRZSA-N -2 3 337.397 2.504 20 0 EFADHL CC(C)c1ccc(CC[N-]S(=O)(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC000563075460 478439992 /nfs/dbraw/zinc/43/99/92/478439992.db2.gz HHOZAZBHBIZOBD-UHFFFAOYSA-N -2 3 337.397 2.622 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H]2CCCc3sccc32)cc1C(=O)[O-] ZINC000563073375 478440074 /nfs/dbraw/zinc/44/00/74/478440074.db2.gz VVUNKSKWGMEPBQ-NSHDSACASA-N -2 3 341.410 2.704 20 0 EFADHL CCc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])oc2CC)s1 ZINC000563075995 478440761 /nfs/dbraw/zinc/44/07/61/478440761.db2.gz WZLOPUCETMBSGN-UHFFFAOYSA-N -2 3 343.426 2.643 20 0 EFADHL O=C([O-])CC[C@@H](CC1CCCCC1)[N-]S(=O)(=O)c1ccco1 ZINC000581882536 478457135 /nfs/dbraw/zinc/45/71/35/478457135.db2.gz ZUMJXAQCZJWEJM-ZDUSSCGKSA-N -2 3 329.418 2.762 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-][C@@H]1CCC[C@H](C)CC1 ZINC000571162240 478534414 /nfs/dbraw/zinc/53/44/14/478534414.db2.gz LWMYNAZEBDDOSF-VHSXEESVSA-N -2 3 347.458 2.702 20 0 EFADHL O=C([N-]c1ncn(Cc2ccccc2)n1)c1cc(F)c(F)c([O-])c1F ZINC000541678738 478577678 /nfs/dbraw/zinc/57/76/78/478577678.db2.gz BHHJMVPAPJTXBK-UHFFFAOYSA-N -2 3 348.284 2.702 20 0 EFADHL CC(C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)[O-])cc1 ZINC000543662893 478764997 /nfs/dbraw/zinc/76/49/97/478764997.db2.gz MWXANDOSINBDMQ-UHFFFAOYSA-N -2 3 335.381 2.973 20 0 EFADHL O=C([O-])C1(C[N-]S(=O)(=O)c2ccc3ccccc3c2F)CCC1 ZINC000564636359 478773869 /nfs/dbraw/zinc/77/38/69/478773869.db2.gz KDIXYCPGWPDHOO-UHFFFAOYSA-N -2 3 337.372 2.512 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2Cc2ccccc2)o1 ZINC000583201811 478790152 /nfs/dbraw/zinc/79/01/52/478790152.db2.gz NUHLOSBUFAWIQF-UONOGXRCSA-N -2 3 349.408 2.668 20 0 EFADHL C[C@@H](CCCCC(=O)[O-])[N-]S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000583238667 478798019 /nfs/dbraw/zinc/79/80/19/478798019.db2.gz IBQXTUHYUVNRNV-VIFPVBQESA-N -2 3 337.800 2.791 20 0 EFADHL Cc1cccc(C(C)(C)C[N-]S(=O)(=O)c2cc(C(=O)[O-])co2)c1 ZINC000564923968 478862271 /nfs/dbraw/zinc/86/22/71/478862271.db2.gz YTROXIDRKDIRSY-UHFFFAOYSA-N -2 3 337.397 2.542 20 0 EFADHL C[C@@]1([N-]S(=O)(=O)c2ccc(Cl)s2)CCCC[C@H]1C(=O)[O-] ZINC000583497948 478864540 /nfs/dbraw/zinc/86/45/40/478864540.db2.gz PVNDYJZOHCMFNL-QPUJVOFHSA-N -2 3 337.850 2.713 20 0 EFADHL CC(C)[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000572638127 478886428 /nfs/dbraw/zinc/88/64/28/478886428.db2.gz PBQSAFUYORJGAQ-NSHDSACASA-N -2 3 325.839 2.569 20 0 EFADHL Cc1cccc(F)c1S(=O)(=O)[N-][C@H]1CCCC[C@@H]1CCC(=O)[O-] ZINC000584704686 479210421 /nfs/dbraw/zinc/21/04/21/479210421.db2.gz WBMDQUHSQQADQV-OCCSQVGLSA-N -2 3 343.420 2.836 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@H]2C[C@H](c3ccccc3)C2)cc1C(=O)[O-] ZINC000579232954 479677210 /nfs/dbraw/zinc/67/72/10/479677210.db2.gz MYZAKHGNTJRAKV-JOCQHMNTSA-N -2 3 335.381 2.511 20 0 EFADHL Cc1c(Cl)ccc(C(=O)[O-])c1[N-]S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000629291312 480202422 /nfs/dbraw/zinc/20/24/22/480202422.db2.gz CPLVHUBLHABPQT-VIFPVBQESA-N -2 3 347.820 2.656 20 0 EFADHL CCO[C@H](CS(=O)(=O)[N-]c1cc(C)cc(C)c1C(=O)[O-])C1CC1 ZINC000629290498 480202942 /nfs/dbraw/zinc/20/29/42/480202942.db2.gz QUMOQGBKZLBILI-CQSZACIVSA-N -2 3 341.429 2.558 20 0 EFADHL CCO[C@@H](CS(=O)(=O)[N-]c1cc(C(=O)[O-])ccc1Cl)C1CC1 ZINC000629292628 480203165 /nfs/dbraw/zinc/20/31/65/480203165.db2.gz SHYPGUUTLYTJKO-ZDUSSCGKSA-N -2 3 347.820 2.595 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@]2(C)C(=O)[O-])c(F)c1F ZINC000629296060 480204965 /nfs/dbraw/zinc/20/49/65/480204965.db2.gz DDUAVARGGMFFBY-ABAIWWIYSA-N -2 3 347.383 2.585 20 0 EFADHL Cc1ccc(S(=O)(=O)[N-]C[C@H](CC(=O)[O-])C(C)(C)C)c(F)c1F ZINC000629296583 480205311 /nfs/dbraw/zinc/20/53/11/480205311.db2.gz HYEBAAOMKINOCT-JTQLQIEISA-N -2 3 349.399 2.689 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C2(C)CCC(F)(F)CC2)oc1C(=O)[O-] ZINC000629335021 480221685 /nfs/dbraw/zinc/22/16/85/480221685.db2.gz HDKCDTXKFQGIRN-UHFFFAOYSA-N -2 3 337.344 2.533 20 0 EFADHL Cc1cc(=O)[n-]c([C@@H](C)N2CCC(c3ncc(C(=O)[O-])s3)CC2)n1 ZINC000629371246 480233483 /nfs/dbraw/zinc/23/34/83/480233483.db2.gz NEBCIUBGEPDYJB-SNVBAGLBSA-N -2 3 348.428 2.586 20 0 EFADHL O=C([O-])c1cccc(-n2[n-]c3c(c2=O)CN(Cc2ccccc2)CC3)c1 ZINC000634598490 480373129 /nfs/dbraw/zinc/37/31/29/480373129.db2.gz LTYJNKXBYSZNLT-KRWDZBQOSA-N -2 3 349.390 2.610 20 0 EFADHL C[C@@H]1CN(Cc2cccc([O-])c2Br)CC[C@@H]1C(=O)[O-] ZINC000629773295 480399537 /nfs/dbraw/zinc/39/95/37/480399537.db2.gz OABPJFAXSIUJKP-KOLCDFICSA-N -2 3 328.206 2.697 20 0 EFADHL CCOC(=O)c1ncc(NC(=O)c2cc3ccccc3cc2[O-])[n-]1 ZINC000617872314 480401846 /nfs/dbraw/zinc/40/18/46/480401846.db2.gz RKGZHXDWXGPFSM-UHFFFAOYSA-N -2 3 325.324 2.698 20 0 EFADHL CCOC(=O)c1nc(NC(=O)c2cc3ccccc3cc2[O-])c[n-]1 ZINC000617872314 480401853 /nfs/dbraw/zinc/40/18/53/480401853.db2.gz RKGZHXDWXGPFSM-UHFFFAOYSA-N -2 3 325.324 2.698 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H]1[N-]S(=O)(=O)c1ccc(Cl)cc1Cl ZINC000630436276 480711728 /nfs/dbraw/zinc/71/17/28/480711728.db2.gz SYDHOOGKVJNJPY-SCZZXKLOSA-N -2 3 338.212 2.525 20 0 EFADHL O=C(Cc1ccc([O-])c(Cl)c1)NCc1cc(=O)[n-]c(C2CCC2)n1 ZINC000636323094 480907115 /nfs/dbraw/zinc/90/71/15/480907115.db2.gz JWVWKLAVLXWIQO-UHFFFAOYSA-N -2 3 347.802 2.668 20 0 EFADHL COc1cc(C(=O)[O-])sc1S(=O)(=O)[N-]CCCC1CCCC1 ZINC000645951241 480988411 /nfs/dbraw/zinc/98/84/11/480988411.db2.gz WKYDJJDEBCGGQW-UHFFFAOYSA-N -2 3 347.458 2.704 20 0 EFADHL CC[C@H]([N-]S(=O)(=O)c1cccc(C)c1C(=O)[O-])c1nccs1 ZINC000645975667 480998757 /nfs/dbraw/zinc/99/87/57/480998757.db2.gz RBVQFSOKKBZECR-JTQLQIEISA-N -2 3 340.426 2.579 20 0 EFADHL CC[C@@](C)([N-]S(=O)(=O)c1cc2cccc(C)c2s1)C(=O)[O-] ZINC000646007109 481018193 /nfs/dbraw/zinc/01/81/93/481018193.db2.gz BHVMRDPOBLHPNO-CQSZACIVSA-N -2 3 327.427 2.741 20 0 EFADHL Cc1cccc2cc(S(=O)(=O)[N-][C@@](C)(C(=O)[O-])C3CC3)sc21 ZINC000646026874 481027987 /nfs/dbraw/zinc/02/79/87/481027987.db2.gz XTZTVAFOVHBJRM-OAHLLOKOSA-N -2 3 339.438 2.741 20 0 EFADHL CCC(CC)(C(=O)[O-])C(=O)Nc1cc(Br)ccc1[O-] ZINC000653309343 481220361 /nfs/dbraw/zinc/22/03/61/481220361.db2.gz AHNCLYBQCTTYDC-UHFFFAOYSA-N -2 3 330.178 2.984 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@H]2c3ccccc3CC[C@@H]2C)oc1C(=O)[O-] ZINC000663422630 482224299 /nfs/dbraw/zinc/22/42/99/482224299.db2.gz GLUSBPPBVCKFPU-ZUZCIYMTSA-N -2 3 349.408 2.888 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C[C@H](C)Cc2cccs2)oc1C(=O)[O-] ZINC000663422069 482224984 /nfs/dbraw/zinc/22/49/84/482224984.db2.gz AWOFHFPLZFDUMD-SECBINFHSA-N -2 3 343.426 2.505 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@@H](C)[C@@H](C)c2ccccc2)oc1C(=O)[O-] ZINC000663423021 482225131 /nfs/dbraw/zinc/22/51/31/482225131.db2.gz QOVXLEGGFJLYBC-NEPJUHHUSA-N -2 3 337.397 2.757 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]CC2(c3ccccc3C)CC2)oc1C(=O)[O-] ZINC000663422413 482225149 /nfs/dbraw/zinc/22/51/49/482225149.db2.gz HOHCUCDWBPOZPQ-UHFFFAOYSA-N -2 3 349.408 2.605 20 0 EFADHL Cc1ccc(C[C@@H](C)[N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])o2)s1 ZINC000663424718 482225874 /nfs/dbraw/zinc/22/58/74/482225874.db2.gz RRMPOQHEWBKGCN-SECBINFHSA-N -2 3 343.426 2.566 20 0 EFADHL Cc1cc(S(=O)(=O)[N-][C@]2(c3ccccc3)CC2(C)C)oc1C(=O)[O-] ZINC000663435767 482233396 /nfs/dbraw/zinc/23/33/96/482233396.db2.gz RCJUURKDJRKCQF-KRWDZBQOSA-N -2 3 349.408 2.890 20 0 EFADHL C[C@H](CCCC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000131879445 533830173 /nfs/dbraw/zinc/83/01/73/533830173.db2.gz XSJOWUOWZZMPDB-MRVPVSSYSA-N -2 3 340.228 2.915 20 0 EFADHL CCOc1cc(CN2C[C@H](C)C[C@@H](C(=O)[O-])C2)cc(Cl)c1[O-] ZINC000263074952 520702382 /nfs/dbraw/zinc/70/23/82/520702382.db2.gz QGVVCDOFXOVWHZ-ZYHUDNBSSA-N -2 3 327.808 2.987 20 0 EFADHL CC[C@@](CNC(=O)c1cc(OC)ccc1[O-])(C(=O)[O-])c1ccccc1 ZINC000262974142 523685217 /nfs/dbraw/zinc/68/52/17/523685217.db2.gz KFWWGFHNZQGRNL-IBGZPJMESA-N -2 3 343.379 2.563 20 0 EFADHL COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2ccc(C)cc2[O-])c1 ZINC000263203341 524138940 /nfs/dbraw/zinc/13/89/40/524138940.db2.gz OAJLTSNTRFEJAY-LJQANCHMSA-N -2 3 343.379 2.829 20 0 EFADHL Cc1ccc(C(=O)N2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)c([O-])c1 ZINC000262960775 526136123 /nfs/dbraw/zinc/13/61/23/526136123.db2.gz RRZJSTVZFDNDSZ-HZPDHXFCSA-N -2 3 325.364 2.641 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]CCC2=CCCCC2)c(F)c1 ZINC000238123273 526382150 /nfs/dbraw/zinc/38/21/50/526382150.db2.gz AYLGLKKMDXOVGM-UHFFFAOYSA-N -2 3 327.377 2.693 20 0 EFADHL O=C([O-])Cc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1 ZINC000078365050 527638813 /nfs/dbraw/zinc/63/88/13/527638813.db2.gz PNZVCAFWTWFJGC-UHFFFAOYSA-N -2 3 345.298 2.532 20 0 EFADHL CCCC[C@H](Nc1ccc(-c2nc(CC)cc(=O)[n-]2)cn1)C(=O)[O-] ZINC000263561674 535069414 /nfs/dbraw/zinc/06/94/14/535069414.db2.gz SBHSZMOTGONKGJ-ZDUSSCGKSA-N -2 3 330.388 2.862 20 0 EFADHL O=C1CCCN1Cc1cccc(-c2nc3ccc([O-])cc3c(=O)[n-]2)c1 ZINC000436928532 546233461 /nfs/dbraw/zinc/23/34/61/546233461.db2.gz RWYUIACSQROURE-UHFFFAOYSA-N -2 3 335.363 2.830 20 0 EFADHL COc1ccc(NC(=O)c2nn(-c3ccccc3F)cc2[O-])c([O-])c1 ZINC000443559589 546246418 /nfs/dbraw/zinc/24/64/18/546246418.db2.gz OGVMKDQVZLFPOI-UHFFFAOYSA-N -2 3 343.314 2.684 20 0 EFADHL CC(C)[C@@H](CNC(=O)c1c[n-]nc1-c1ccc(Cl)s1)C(=O)[O-] ZINC000655565360 546486132 /nfs/dbraw/zinc/48/61/32/546486132.db2.gz LTINCFJBRREQEU-MRVPVSSYSA-N -2 3 341.820 2.878 20 0 EFADHL C[C@@H](CC(F)(F)F)CS(=O)(=O)[N-]c1cc(F)ccc1C(=O)[O-] ZINC000656509243 546825375 /nfs/dbraw/zinc/82/53/75/546825375.db2.gz PBFRXFTZFIMNOM-ZETCQYMHSA-N -2 3 343.298 2.854 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1cccc(C(=O)[O-])c1)C1CCCCC1 ZINC000656614142 546863948 /nfs/dbraw/zinc/86/39/48/546863948.db2.gz VRXQZTNPICQJFN-OAHLLOKOSA-N -2 3 341.429 2.722 20 0 EFADHL CO[C@@H](CS(=O)(=O)[N-]c1cc(F)ccc1[O-])C1CCCCC1 ZINC000656623277 546867341 /nfs/dbraw/zinc/86/73/41/546867341.db2.gz DKDRQZTXAGCGLI-HNNXBMFYSA-N -2 3 331.409 2.868 20 0 EFADHL CO[C@H](CS(=O)(=O)[N-]c1cccc(C(C)=O)c1[O-])C1CCCC1 ZINC000656630010 546868933 /nfs/dbraw/zinc/86/89/33/546868933.db2.gz SFCPUONQNCMHKI-OAHLLOKOSA-N -2 3 341.429 2.542 20 0 EFADHL CC[C@H](C)CC[N-]S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1OC ZINC000656718485 546899753 /nfs/dbraw/zinc/89/97/53/546899753.db2.gz RNIGRQYJUIHEEQ-VIFPVBQESA-N -2 3 349.836 2.761 20 0 EFADHL O=C([O-])c1cnc(C=Cc2cc(Br)ccc2F)[n-]c1=O ZINC000670369871 547473615 /nfs/dbraw/zinc/47/36/15/547473615.db2.gz HJEDYOFHSXELRR-DAFODLJHSA-N -2 3 339.120 2.952 20 0 EFADHL O=C([O-])c1cnc(C=Cc2csc(-c3ccccn3)n2)[n-]c1=O ZINC000670370193 547473772 /nfs/dbraw/zinc/47/37/72/547473772.db2.gz LWSJEAIUDLRDKJ-PLNGDYQASA-N -2 3 326.337 2.569 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc(Br)s2)[n-]c1=O ZINC000670369989 547474066 /nfs/dbraw/zinc/47/40/66/547474066.db2.gz PGYCEVYSUQVYNO-DUXPYHPUSA-N -2 3 327.159 2.875 20 0 EFADHL O=C([O-])c1cnc(C=Cc2ccc(Br)s2)[n-]c1=O ZINC000670369990 547474304 /nfs/dbraw/zinc/47/43/04/547474304.db2.gz PGYCEVYSUQVYNO-RQOWECAXSA-N -2 3 327.159 2.875 20 0 EFADHL CSc1nc([N-]S(=O)(=O)C=Cc2ccccc2Cl)n[n-]1 ZINC000757551432 575842245 /nfs/dbraw/zinc/84/22/45/575842245.db2.gz LDCSDMGQGOHJQZ-SREVYHEPSA-N -2 3 330.822 2.593 20 0 EFADHL O=C(CSc1n[n-]c(=S)s1)Nc1cc(Cl)ccc1[O-] ZINC000759654347 575916120 /nfs/dbraw/zinc/91/61/20/575916120.db2.gz BVNBQBUQQBOTBY-UHFFFAOYSA-N -2 3 333.847 2.917 20 0 EFADHL CC[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC000761264116 576137219 /nfs/dbraw/zinc/13/72/19/576137219.db2.gz UDTABKIGFYMABX-NOZJJQNGSA-N -2 3 347.383 2.910 20 0 EFADHL O=C(Nc1cccc([O-])c1F)c1nn(-c2ccccc2F)cc1[O-] ZINC000762315723 576288843 /nfs/dbraw/zinc/28/88/43/576288843.db2.gz CFYJWAKWNSNMOF-UHFFFAOYSA-N -2 3 331.278 2.814 20 0 EFADHL Cc1cc(F)c(S(=O)(=O)[N-]C2CCC3(CC3)CC2)cc1C(=O)[O-] ZINC000766051808 577102002 /nfs/dbraw/zinc/10/20/02/577102002.db2.gz KPWPWORHWJJNGL-UHFFFAOYSA-N -2 3 341.404 2.833 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-][C@H]2CCCC2(F)F)c(Cl)c1 ZINC000398159241 577285102 /nfs/dbraw/zinc/28/51/02/577285102.db2.gz FMRKCIGWJMUJHZ-JTQLQIEISA-N -2 3 339.747 2.504 20 0 EFADHL Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]C2(C(=O)[O-])CC2)c1Cl ZINC000201854597 577392947 /nfs/dbraw/zinc/39/29/47/577392947.db2.gz LQGOHLCNNLZQCH-UHFFFAOYSA-N -2 3 338.212 2.506 20 0 EFADHL O=C(Nc1nc(Br)ccc1[O-])c1cc(F)ccc1[O-] ZINC000771576751 581224324 /nfs/dbraw/zinc/22/43/24/581224324.db2.gz VJSNLVDGDKYSQH-UHFFFAOYSA-N -2 3 327.109 2.647 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccccc2CC(=O)[O-])c(C)c1C ZINC000818611490 597315604 /nfs/dbraw/zinc/31/56/04/597315604.db2.gz SFPSHHLDULKZBO-UHFFFAOYSA-N -2 3 349.408 2.740 20 0 EFADHL CSc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(O)cc2[O-])cc1 ZINC000738202591 599848531 /nfs/dbraw/zinc/84/85/31/599848531.db2.gz IUZGKRKQHXWNRA-CQSZACIVSA-N -2 3 347.392 2.766 20 0 EFADHL O=C([O-])CSCCNC(=O)c1cc(Cc2ccccc2)ccc1[O-] ZINC000739862807 599904339 /nfs/dbraw/zinc/90/43/39/599904339.db2.gz CJOHLBPIPUGKBX-UHFFFAOYSA-N -2 3 345.420 2.531 20 0 EFADHL CC1(C)Cc2ccc(C(=O)Nc3ccc(CC(=O)[O-])cc3)c([O-])c2O1 ZINC000736736905 600109188 /nfs/dbraw/zinc/10/91/88/600109188.db2.gz IHJPHKLORQRIKK-UHFFFAOYSA-N -2 3 341.363 2.985 20 0 EFADHL C[C@@]([N-]S(=O)(=O)c1cccc(Cl)c1Cl)(C(=O)[O-])C1CC1 ZINC000037463774 600239381 /nfs/dbraw/zinc/23/93/81/600239381.db2.gz JGCLTYZAVUKDGO-LBPRGKRZSA-N -2 3 338.212 2.525 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(-c3ccccc3)o2)o1 ZINC000740176616 600343191 /nfs/dbraw/zinc/34/31/91/600343191.db2.gz KQOLKCORBPQKDM-UHFFFAOYSA-N -2 3 347.348 2.716 20 0 EFADHL CCCc1c(C(=O)NCc2ccc([O-])c(F)c2)[nH]c(C)c1C(=O)[O-] ZINC000737041708 600465562 /nfs/dbraw/zinc/46/55/62/600465562.db2.gz SYDZVKMHIVCOEH-UHFFFAOYSA-N -2 3 334.347 2.749 20 0 EFADHL CN(Cc1ccc(C(=O)[O-])cc1)C(=O)NCc1ccc([O-])c(F)c1 ZINC000737470547 600502311 /nfs/dbraw/zinc/50/23/11/600502311.db2.gz MJKOPKQMSLVLFJ-UHFFFAOYSA-N -2 3 332.331 2.571 20 0 EFADHL O=C([O-])[C@@H](C[N-]C(=O)C(F)(F)F)Cc1ccc2ccccc2c1 ZINC000739500632 600604099 /nfs/dbraw/zinc/60/40/99/600604099.db2.gz XKJRBCSPLWGFJU-CYBMUJFWSA-N -2 3 325.286 2.762 20 0 EFADHL O=C([O-])CCc1nnc([N-]C(=O)c2cc(F)c(F)cc2Cl)s1 ZINC000739778924 600627835 /nfs/dbraw/zinc/62/78/35/600627835.db2.gz ZZXDFYBZEHRSMC-UHFFFAOYSA-N -2 3 347.730 2.739 20 0 EFADHL COc1cccc2cc(C(=O)[N-]c3nnc(CCC(=O)[O-])s3)oc21 ZINC000738114396 600629445 /nfs/dbraw/zinc/62/94/45/600629445.db2.gz WXNMBAZJNDPZAU-UHFFFAOYSA-N -2 3 347.352 2.562 20 0 EFADHL O=C([O-])c1cc(Cl)cc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1 ZINC000740317623 600634720 /nfs/dbraw/zinc/63/47/20/600634720.db2.gz VZJZESHYMMBPBT-RIYZIHGNSA-N -2 3 342.738 2.761 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]C2CCCCCC2)c1F ZINC000314159967 600989720 /nfs/dbraw/zinc/98/97/20/600989720.db2.gz XIDCYZJNTHGTEB-UHFFFAOYSA-N -2 3 333.356 2.664 20 0 EFADHL O=C([O-])CSCCNC(=O)c1cc(Oc2ccccc2)ccc1[O-] ZINC000833260897 601188454 /nfs/dbraw/zinc/18/84/54/601188454.db2.gz ALOOSHYRMLSCEE-UHFFFAOYSA-N -2 3 347.392 2.732 20 0 EFADHL Cc1oc(S(=O)(=O)[N-]Cc2oc3ccccc3c2C)cc1C(=O)[O-] ZINC000833026441 601222454 /nfs/dbraw/zinc/22/24/54/601222454.db2.gz CAQMTHKORZSRBR-UHFFFAOYSA-N -2 3 349.364 2.819 20 0 EFADHL Cc1oc(S(=O)(=O)[N-][C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1C(=O)[O-] ZINC000833028727 601223988 /nfs/dbraw/zinc/22/39/88/601223988.db2.gz PFBCIGTWNZGMFK-SDDRHHMPSA-N -2 3 327.402 2.533 20 0 EFADHL O=C([O-])c1c(F)ccc(S(=O)(=O)[N-]CC2CCCCC2)c1F ZINC000386936912 601227909 /nfs/dbraw/zinc/22/79/09/601227909.db2.gz ORSKYRJGJOHMDH-UHFFFAOYSA-N -2 3 333.356 2.522 20 0 EFADHL CCC1CCC([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CC1 ZINC000320243454 601231156 /nfs/dbraw/zinc/23/11/56/601231156.db2.gz AMIYVKWJKUFLML-UHFFFAOYSA-N -2 3 347.383 2.910 20 0 EFADHL C[C@@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1F ZINC000320588640 601232504 /nfs/dbraw/zinc/23/25/04/601232504.db2.gz WLZHBBPTLBRIQQ-NXEZZACHSA-N -2 3 347.383 2.768 20 0 EFADHL CC1(C[N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)CCCC1 ZINC000315471857 601235436 /nfs/dbraw/zinc/23/54/36/601235436.db2.gz CQGYPSKOCUOFJX-UHFFFAOYSA-N -2 3 333.356 2.522 20 0 EFADHL C[C@@H]1CC[C@H]([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2F)[C@@H](C)C1 ZINC000320409036 601235600 /nfs/dbraw/zinc/23/56/00/601235600.db2.gz BNIMNIMNKLMWIE-YWVKMMECSA-N -2 3 347.383 2.766 20 0 EFADHL CCC(CC)(CC(=O)[O-])[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000828809978 601268140 /nfs/dbraw/zinc/26/81/40/601268140.db2.gz BWINLYNEWYFWEF-UHFFFAOYSA-N -2 3 337.800 2.791 20 0 EFADHL O=C([O-])c1ccc(C(=O)Nc2n[n-]c(-c3c(F)cccc3F)n2)cc1 ZINC000833312254 601383613 /nfs/dbraw/zinc/38/36/13/601383613.db2.gz RVMBNOZWCUTRPC-UHFFFAOYSA-N -2 3 344.277 2.700 20 0 EFADHL CCCCC[C@H]([N-]S(=O)(=O)c1cc(F)ccc1Cl)C(=O)[O-] ZINC000829340519 601404034 /nfs/dbraw/zinc/40/40/34/601404034.db2.gz RDSAUIJYZVDJTF-NSHDSACASA-N -2 3 337.800 2.791 20 0 EFADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000830388041 601461375 /nfs/dbraw/zinc/46/13/75/601461375.db2.gz DXMLWTCXOVTLQM-UHFFFAOYSA-N -2 3 330.296 2.880 20 0 EFADHL CCc1oc(C(=O)[O-])cc1COC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000830388041 601461377 /nfs/dbraw/zinc/46/13/77/601461377.db2.gz DXMLWTCXOVTLQM-UHFFFAOYSA-N -2 3 330.296 2.880 20 0 EFADHL CC[C@](C)(CC(=O)[O-])[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000828671542 601478912 /nfs/dbraw/zinc/47/89/12/601478912.db2.gz FGNJSVNUCAVLLQ-GFCCVEGCSA-N -2 3 340.228 2.915 20 0 EFADHL O=C([O-])[C@H]1CCC[C@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000833184325 601587151 /nfs/dbraw/zinc/58/71/51/601587151.db2.gz ADPHHRDWGDEMTP-IUCAKERBSA-N -2 3 342.189 2.984 20 0 EFADHL O=C([O-])[C@@H]1CCC[C@@H](C(=O)Nc2cc(Br)ccc2[O-])C1 ZINC000833184328 601587248 /nfs/dbraw/zinc/58/72/48/601587248.db2.gz ADPHHRDWGDEMTP-RKDXNWHRSA-N -2 3 342.189 2.984 20 0 EFADHL Cc1ccc([N-]S(=O)(=O)c2cccc(F)c2C(=O)[O-])c(F)c1 ZINC000832950739 601854768 /nfs/dbraw/zinc/85/47/68/601854768.db2.gz YVOFHIWLUPKDPM-UHFFFAOYSA-N -2 3 327.308 2.772 20 0 EFADHL O=C([O-])CCCCCCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000403254235 601961842 /nfs/dbraw/zinc/96/18/42/601961842.db2.gz MHILOQFFGCXJAL-UHFFFAOYSA-N -2 3 335.372 2.668 20 0 EFADHL Cc1sc2[n-]c([C@H](C)OC(=O)[C@@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000833036568 602280369 /nfs/dbraw/zinc/28/03/69/602280369.db2.gz JBNBRWKDFFZGSO-XPUUQOCRSA-N -2 3 338.385 2.729 20 0 EFADHL Cc1sc2[n-]c([C@@H](C)OC(=O)[C@@H](C)CC(=O)[O-])nc(=O)c2c1C ZINC000833036566 602280398 /nfs/dbraw/zinc/28/03/98/602280398.db2.gz JBNBRWKDFFZGSO-POYBYMJQSA-N -2 3 338.385 2.729 20 0 EFADHL Cc1cc(F)cc2c(=O)c(C(=O)Nc3cc(C(=O)[O-])cs3)c[n-]c12 ZINC000832888464 604321906 /nfs/dbraw/zinc/32/19/06/604321906.db2.gz UHCGGAJFEBLDBS-UHFFFAOYSA-N -2 3 346.339 2.988 20 0 EFADHL COc1ccc(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c([O-])c1 ZINC000832169679 604393251 /nfs/dbraw/zinc/39/32/51/604393251.db2.gz BJTPJJAADQKPMY-MRXNPFEDSA-N -2 3 343.379 2.983 20 0 EFADHL CC1(C)Cc2ccc(C(=O)N(CC(=O)[O-])c3ccccc3)c([O-])c2O1 ZINC000833562242 604713199 /nfs/dbraw/zinc/71/31/99/604713199.db2.gz OTJXDMIAGYIUOK-UHFFFAOYSA-N -2 3 341.363 2.837 20 0 EFADHL CC1(C)Cc2ccc(C(=O)Nc3ccccc3CC(=O)[O-])c([O-])c2O1 ZINC000833562178 604720920 /nfs/dbraw/zinc/72/09/20/604720920.db2.gz LOBNZTSAMUUIRI-UHFFFAOYSA-N -2 3 341.363 2.985 20 0 EFADHL C[C@]1([N-]S(=O)(=O)c2ccc(Cl)cc2F)CCCC[C@@H]1C(=O)[O-] ZINC000833570554 604808175 /nfs/dbraw/zinc/80/81/75/604808175.db2.gz HDUZHWJKXWRIIB-YGRLFVJLSA-N -2 3 349.811 2.791 20 0 EFADHL C[C@]1([N-]S(=O)(=O)c2cc(F)ccc2Cl)CCCC[C@H]1C(=O)[O-] ZINC000833569300 604809094 /nfs/dbraw/zinc/80/90/94/604809094.db2.gz LUADGCOYAJTKHH-HZMBPMFUSA-N -2 3 349.811 2.791 20 0 EFADHL CC(C)c1ncc(C(=O)[N-]c2nnc(CCCC(=O)[O-])s2)s1 ZINC000827158268 604825478 /nfs/dbraw/zinc/82/54/78/604825478.db2.gz FZRBZAZGUDOGDO-UHFFFAOYSA-N -2 3 340.430 2.778 20 0 EFADHL CC(C)[C@H]1CC[C@@H](C)C[C@H]1[N-]S(=O)(=O)c1csnc1C(=O)[O-] ZINC000833605867 605017370 /nfs/dbraw/zinc/01/73/70/605017370.db2.gz LYKXJESGLNOKIQ-GMTAPVOTSA-N -2 3 346.474 2.580 20 0 EFADHL CC(C)CC[C@H]([N-]S(=O)(=O)c1csnc1C(=O)[O-])C(C)(C)C ZINC000833480375 605028435 /nfs/dbraw/zinc/02/84/35/605028435.db2.gz HYENPERLFXKLAA-NSHDSACASA-N -2 3 348.490 2.971 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2cc(-c3nnn[n-]3)cs2)s1 ZINC000823387616 606196369 /nfs/dbraw/zinc/19/63/69/606196369.db2.gz QUKBDEBLYFROHY-HSFFGMMNSA-N -2 3 331.382 2.653 20 0 EFADHL O=C([O-])C=Cc1cnc(C=Cc2cc(-c3nn[n-]n3)cs2)s1 ZINC000823387616 606196371 /nfs/dbraw/zinc/19/63/71/606196371.db2.gz QUKBDEBLYFROHY-HSFFGMMNSA-N -2 3 331.382 2.653 20 0 EFADHL CN(C(=O)c1cccc(Cl)c1[O-])c1cccc(-c2nnn[n-]2)c1 ZINC000825830267 608582487 /nfs/dbraw/zinc/58/24/87/608582487.db2.gz QYXIILMXZQLONM-UHFFFAOYSA-N -2 3 329.747 2.502 20 0 EFADHL CN(C(=O)c1cccc(Cl)c1[O-])c1cccc(-c2nn[n-]n2)c1 ZINC000825830267 608582489 /nfs/dbraw/zinc/58/24/89/608582489.db2.gz QYXIILMXZQLONM-UHFFFAOYSA-N -2 3 329.747 2.502 20 0 EFADHL O=C([N-]NC(=O)c1cc2ccccc2cc1[O-])c1c(F)cccc1F ZINC000084382771 1258363178 /nfs/dbraw/zinc/36/31/78/1258363178.db2.gz JLIHIEBGEKLQNZ-UHFFFAOYSA-N -2 3 342.301 2.898 20 0 EFADHL COc1ccc([O-])c(S(=O)(=O)[N-]c2ccc(Cl)nc2C)c1 ZINC000788495382 1276201262 /nfs/dbraw/zinc/20/12/62/1276201262.db2.gz KHBRUFMUVICQRF-UHFFFAOYSA-N -2 3 328.777 2.558 20 0 EFADHL CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(Cl)cc(C)c1[O-] ZINC000821177401 1277478722 /nfs/dbraw/zinc/47/87/22/1277478722.db2.gz CRPBNAVYDQQTNP-GFCCVEGCSA-N -2 3 349.836 2.828 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]C(C)(C)CC(F)(F)F)sc1C(=O)[O-] ZINC000871946969 1287372802 /nfs/dbraw/zinc/37/28/02/1287372802.db2.gz LVAHEBGMCOZYBM-UHFFFAOYSA-N -2 3 345.364 2.764 20 0 EFADHL CCOC(=O)c1ncc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])[n-]1 ZINC001148805241 1281768294 /nfs/dbraw/zinc/76/82/94/1281768294.db2.gz HVZMAXRBDYIVQO-UHFFFAOYSA-N -2 3 344.154 2.851 20 0 EFADHL CCOC(=O)c1nc(NC(=O)c2cc(Cl)cc(Cl)c2[O-])c[n-]1 ZINC001148805241 1281768302 /nfs/dbraw/zinc/76/83/02/1281768302.db2.gz HVZMAXRBDYIVQO-UHFFFAOYSA-N -2 3 344.154 2.851 20 0 EFADHL Cc1[n-][nH]c2ncnc(=NC(=O)c3cccc(-c4ccccc4)c3[O-])c1-2 ZINC001148861213 1281787060 /nfs/dbraw/zinc/78/70/60/1281787060.db2.gz OJQNPDXJZLVUIF-UHFFFAOYSA-N -2 3 345.362 2.660 20 0 EFADHL CN(C)c1nc(Nc2c(F)cc(F)c([O-])c2F)c(N=O)c(=O)[n-]1 ZINC001176663375 1288083988 /nfs/dbraw/zinc/08/39/88/1288083988.db2.gz HNIPVAQUZOGLJL-UHFFFAOYSA-N -2 3 329.238 2.513 20 0 EFADHL Cc1cc(C(=O)NCCCCP(=O)([O-])[O-])c(-n2cccc2)s1 ZINC001189312763 1291669743 /nfs/dbraw/zinc/66/97/43/1291669743.db2.gz UVSWKGUGRCQQQE-UHFFFAOYSA-N -2 3 342.357 2.535 20 0 EFADHL O=C(NCc1ncccc1[O-])c1cc(Br)ccc1[S-] ZINC001189969193 1291934178 /nfs/dbraw/zinc/93/41/78/1291934178.db2.gz IKJHTICAOCGVHD-UHFFFAOYSA-N -2 3 339.214 2.768 20 0 EFADHL O=C(NCCCCP(=O)([O-])[O-])c1csc(-c2cccs2)n1 ZINC001190580559 1292232293 /nfs/dbraw/zinc/23/22/93/1292232293.db2.gz ZKRGXIYVBCWWTP-UHFFFAOYSA-N -2 3 346.370 2.559 20 0 EFADHL O=C(NCCP(=O)([O-])[O-])Nc1c(Cl)cc(Cl)cc1Cl ZINC001192050019 1292746700 /nfs/dbraw/zinc/74/67/00/1292746700.db2.gz MWOQCHNRHHBHBM-UHFFFAOYSA-N -2 3 347.522 2.946 20 0 EFADHL COC(=O)c1cc([O-])c(F)cc1NC(=O)c1cc(F)c([O-])cc1F ZINC001192879500 1293102750 /nfs/dbraw/zinc/10/27/50/1293102750.db2.gz FYOSDNUSYKQLAX-UHFFFAOYSA-N -2 3 341.241 2.554 20 0 EFADHL O=S(=O)([N-]c1cncc([O-])c1)c1cccc2c(Cl)nccc21 ZINC001194459145 1293629897 /nfs/dbraw/zinc/62/98/97/1293629897.db2.gz WNLXRHMSIAFWTL-UHFFFAOYSA-N -2 3 335.772 2.790 20 0 EFADHL O=C(c1ccccc1)[C@H](Oc1[n-]c(=O)nc2cn[n-]c21)c1ccccc1 ZINC001233934347 1313020887 /nfs/dbraw/zinc/02/08/87/1313020887.db2.gz KDQFMGCPQJTAID-QGZVFWFLSA-N -2 3 346.346 2.649 20 0 EFADHL COc1ccc([C@@H](Oc2[n-]c(=O)nc3cn[n-]c32)c2ccccc2)cc1 ZINC001233939373 1313022254 /nfs/dbraw/zinc/02/22/54/1313022254.db2.gz IWUFVOJWYDHGNC-KRWDZBQOSA-N -2 3 348.362 2.823 20 0 EFADHL C[C@H]1CCCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195244503 1293859164 /nfs/dbraw/zinc/85/91/64/1293859164.db2.gz IFKCWEVXURFTPO-VHSXEESVSA-N -2 3 347.383 2.768 20 0 EFADHL CC[C@H](C)C[C@@H](C)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195255108 1293863949 /nfs/dbraw/zinc/86/39/49/1293863949.db2.gz SSISJNRXKZWLHJ-DTWKUNHWSA-N -2 3 335.372 2.766 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-][C@H]2CC23CCCCC3)c(F)cc1F ZINC001195259556 1293865291 /nfs/dbraw/zinc/86/52/91/1293865291.db2.gz GBJXTUFWCZXTGP-ZDUSSCGKSA-N -2 3 345.367 2.664 20 0 EFADHL COc1ccc(C(C)(C)C)cc1C(=O)NCCCCP(=O)([O-])[O-] ZINC001195475171 1293936012 /nfs/dbraw/zinc/93/60/12/1293936012.db2.gz PIYPJQSMAATICQ-UHFFFAOYSA-N -2 3 343.360 2.680 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2[S-])cn1 ZINC001195725235 1294001381 /nfs/dbraw/zinc/00/13/81/1294001381.db2.gz UNEJSNBNCMEONM-UHFFFAOYSA-N -2 3 330.818 2.833 20 0 EFADHL O=C(Nc1ccccc1-c1nnn[n-]1)c1cc(Cl)c(F)cc1[O-] ZINC001196465748 1294247289 /nfs/dbraw/zinc/24/72/89/1294247289.db2.gz CTRXYZWGHDLOJK-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL O=C(Nc1ccccc1-c1nn[n-]n1)c1cc(Cl)c(F)cc1[O-] ZINC001196465748 1294247296 /nfs/dbraw/zinc/24/72/96/1294247296.db2.gz CTRXYZWGHDLOJK-UHFFFAOYSA-N -2 3 333.710 2.617 20 0 EFADHL CCN(C)c1ccc([N-]S(=O)(=O)c2ccccc2C(=O)[O-])cc1 ZINC001198792066 1295261625 /nfs/dbraw/zinc/26/16/25/1295261625.db2.gz FIANTLJVXAPJJZ-UHFFFAOYSA-N -2 3 334.397 2.642 20 0 EFADHL Cc1ccc(-c2n[n-]c(=S)n2CC(=O)Nc2ccncc2[O-])cc1 ZINC000109890596 1299348762 /nfs/dbraw/zinc/34/87/62/1299348762.db2.gz BWZAOXZFLOOHAS-UHFFFAOYSA-N -2 3 341.396 2.655 20 0 EFADHL COc1ccc(Cl)cc1C=Cc1nc(C)c(CC(=O)[O-])c(=O)[n-]1 ZINC000794712730 1303037093 /nfs/dbraw/zinc/03/70/93/1303037093.db2.gz KRRPKZQKDIHSPX-ZZXKWVIFSA-N -2 3 334.759 2.950 20 0 EFADHL O=C([O-])c1cc(Cl)c(-c2cncc(-c3nnn[n-]3)c2)c(Cl)c1 ZINC001244518651 1314387136 /nfs/dbraw/zinc/38/71/36/1314387136.db2.gz KSVOQLRFIOUAKM-UHFFFAOYSA-N -2 3 336.138 2.934 20 0 EFADHL O=C([O-])c1cc(Cl)c(-c2cncc(-c3nn[n-]n3)c2)c(Cl)c1 ZINC001244518651 1314387140 /nfs/dbraw/zinc/38/71/40/1314387140.db2.gz KSVOQLRFIOUAKM-UHFFFAOYSA-N -2 3 336.138 2.934 20 0 EFADHL CC(C)(C)OC(=O)N1CCC12CC(OCCCCP(=O)([O-])[O-])C2 ZINC001225021136 1311465204 /nfs/dbraw/zinc/46/52/04/1311465204.db2.gz DRTWPRIRXUGQOH-UHFFFAOYSA-N -2 3 349.364 2.503 20 0 EFADHL C[C@H](OCCCCP(=O)([O-])[O-])c1cccc(Br)n1 ZINC001225022754 1311465428 /nfs/dbraw/zinc/46/54/28/1311465428.db2.gz RPNFHPMGBLJWEV-VIFPVBQESA-N -2 3 338.138 2.880 20 0 EFADHL COC(=O)c1ccc([C@H](C)Oc2nc3ncnc-3c([S-])[n-]2)cc1 ZINC001226780422 1311722268 /nfs/dbraw/zinc/72/22/68/1311722268.db2.gz JPWSDDAOTDYXLY-QMMMGPOBSA-N -2 3 330.369 2.568 20 0 EFADHL CC[C@H](COC)Oc1cc([O-])ccc1C(=O)c1ccc(O)cc1[O-] ZINC001228121560 1311902856 /nfs/dbraw/zinc/90/28/56/1311902856.db2.gz DYZIOAZYBVEMTO-CYBMUJFWSA-N -2 3 332.352 2.838 20 0 EFADHL C[C@@H]1C[C@H](Oc2cc([O-])ccc2C(=O)c2ccc(O)cc2[O-])CCO1 ZINC001228121577 1311902952 /nfs/dbraw/zinc/90/29/52/1311902952.db2.gz FKDVZNSJJSRKDO-BXUZGUMPSA-N -2 3 344.363 2.981 20 0 EFADHL O=c1c(OC2COC2)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001229772131 1312136533 /nfs/dbraw/zinc/13/65/33/1312136533.db2.gz XOSNCTWDDMUZRD-UHFFFAOYSA-N -2 3 326.304 2.649 20 0 EFADHL CCOC(=O)c1nc(C2CC2)oc1[N-]c1cc(C(=O)[O-])cnc1F ZINC001215124236 1314784439 /nfs/dbraw/zinc/78/44/39/1314784439.db2.gz HQGBMPBKXMDBTM-UHFFFAOYSA-N -2 3 335.291 2.705 20 0 EFADHL CN(C)C(=O)c1cccc(Nc2ccc(F)c(C(=O)[O-])c2F)c1[O-] ZINC001215282998 1314809052 /nfs/dbraw/zinc/80/90/52/1314809052.db2.gz KOWLIVBMUZHOCE-UHFFFAOYSA-N -2 3 336.294 2.814 20 0 EFADHL CN(C)c1nc(Nc2cc(C(=O)[O-])c(Cl)cc2Cl)cc(=O)[n-]1 ZINC001216358744 1314944727 /nfs/dbraw/zinc/94/47/27/1314944727.db2.gz XSTFWMMNOPPOCA-UHFFFAOYSA-N -2 3 343.170 2.997 20 0 EFADHL CS(=O)(=O)c1ccc([O-])c(Nc2cc([O-])c(F)c(F)c2F)c1 ZINC001249964572 1315161112 /nfs/dbraw/zinc/16/11/12/1315161112.db2.gz GXBFBCBFADSZHF-UHFFFAOYSA-N -2 3 333.287 2.662 20 0 EFADHL O=c1c(O[C@H]2C[C@H](O)C2)c(-c2ccccc2)oc2cc([O-])cc([O-])c12 ZINC001218362627 1315184383 /nfs/dbraw/zinc/18/43/83/1315184383.db2.gz PQSIHLHGHDCZFT-AULYBMBSSA-N -2 3 340.331 2.773 20 0 EFADHL COC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)c([O-])c1 ZINC001253032654 1315558745 /nfs/dbraw/zinc/55/87/45/1315558745.db2.gz QQXNAPAECQTCBN-MDZDMXLPSA-N -2 3 333.365 2.591 20 0 EFADHL CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccc(F)cc1[O-])C(=O)C2 ZINC001258972075 1316198343 /nfs/dbraw/zinc/19/83/43/1316198343.db2.gz JKDZHJPBTIVXHD-QFYYESIMSA-N -2 3 341.404 2.668 20 0 EFADHL Cc1ccc(C[N-]S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)o1 ZINC001259212775 1316221355 /nfs/dbraw/zinc/22/13/55/1316221355.db2.gz YEEDMKKBBMIKEL-UHFFFAOYSA-N -2 3 347.751 2.557 20 0 EFADHL O=C([O-])c1cc(S(=O)(=O)[N-]C2(CC3CC3)CC2)c(F)cc1Cl ZINC001259225731 1316221759 /nfs/dbraw/zinc/22/17/59/1316221759.db2.gz DISAQOYPJZLMAM-UHFFFAOYSA-N -2 3 347.795 2.788 20 0 EFADHL O=C([O-])c1cccc(S(=O)(=O)[N-]c2cc(Cl)cnc2Cl)c1 ZINC001260183631 1316320954 /nfs/dbraw/zinc/32/09/54/1316320954.db2.gz XUMNSNGGTFOIRW-UHFFFAOYSA-N -2 3 347.179 2.887 20 0 EFADHL CCOc1cccc(F)c1[N-]S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC001260228755 1316324786 /nfs/dbraw/zinc/32/47/86/1316324786.db2.gz WFCUMSNWYGPHFN-UHFFFAOYSA-N -2 3 339.344 2.723 20 0 EFADHL Cc1c(C)c([N-]S(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)ccc1F ZINC001260399221 1316337530 /nfs/dbraw/zinc/33/75/30/1316337530.db2.gz CAWCIRWEXARAQO-UHFFFAOYSA-N -2 3 339.344 2.647 20 0 EFADHL COc1ccc(S(=O)(=O)[N-]c2cc([O-])c(F)c(F)c2)cc1F ZINC001260662226 1316356336 /nfs/dbraw/zinc/35/63/36/1316356336.db2.gz LUDNRAFDOLKRBX-UHFFFAOYSA-N -2 3 333.287 2.619 20 0 EFADHL O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-]c1ncccc1[O-] ZINC001260889850 1316375534 /nfs/dbraw/zinc/37/55/34/1316375534.db2.gz NJIXUIXHMBYWHT-UHFFFAOYSA-N -2 3 332.303 2.748 20 0 EFADHL Cc1cc(S(=O)(=O)[N-]c2cncc([O-])c2)ccc1Br ZINC001261043588 1316386682 /nfs/dbraw/zinc/38/66/82/1316386682.db2.gz DUEPLHFRSINFBP-UHFFFAOYSA-N -2 3 343.202 2.659 20 0 EFADHL CCC(CC)(NC(=O)c1ccc2ccccc2c1[O-])c1nnn[n-]1 ZINC001467794537 1396898518 /nfs/dbraw/zinc/89/85/18/1396898518.db2.gz SDPOBKKLBIBFEA-UHFFFAOYSA-N -2 3 325.372 2.504 20 0 EFADHL CCC(CC)(NC(=O)c1ccc2ccccc2c1[O-])c1nn[n-]n1 ZINC001467794537 1396898527 /nfs/dbraw/zinc/89/85/27/1396898527.db2.gz SDPOBKKLBIBFEA-UHFFFAOYSA-N -2 3 325.372 2.504 20 0 EFADHL CCC[C@@H](C(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000821009466 1428234219 /nfs/dbraw/zinc/23/42/19/1428234219.db2.gz SBKUVWAPMUPZEJ-LLVKDONJSA-N -2 3 328.401 2.846 20 0 EFADHL Cc1csc([N-]C(=O)N[C@@H](C)c2cccc(-c3nn[n-]n3)c2)n1 ZINC000822414721 1428259825 /nfs/dbraw/zinc/25/98/25/1428259825.db2.gz RBHGZEVMLPDNHY-VIFPVBQESA-N -2 3 329.389 2.514 20 0 EFADHL Cc1csc([N-]C(=O)N[C@@H](C)c2cccc(-c3nnn[n-]3)c2)n1 ZINC000822414721 1428259830 /nfs/dbraw/zinc/25/98/30/1428259830.db2.gz RBHGZEVMLPDNHY-VIFPVBQESA-N -2 3 329.389 2.514 20 0 EFADHL O=C(C=CC1CC1)[N-]c1nc(-c2cccc(-c3nn[n-]n3)c2)cs1 ZINC000826400137 1423407202 /nfs/dbraw/zinc/40/72/02/1423407202.db2.gz QGWQPKUZNUFBFL-SREVYHEPSA-N -2 3 338.396 2.895 20 0 EFADHL O=C(C=CC1CC1)[N-]c1nc(-c2cccc(-c3nnn[n-]3)c2)cs1 ZINC000826400137 1423407208 /nfs/dbraw/zinc/40/72/08/1423407208.db2.gz QGWQPKUZNUFBFL-SREVYHEPSA-N -2 3 338.396 2.895 20 0 EFADHL O=C(OCc1ccc(-c2nn[n-]n2)cc1)c1cccc(Cl)c1[O-] ZINC000826465119 1425628308 /nfs/dbraw/zinc/62/83/08/1425628308.db2.gz ZMPFWJSLIVFDMY-UHFFFAOYSA-N -2 3 330.731 2.583 20 0 EFADHL O=C(OCc1ccc(-c2nnn[n-]2)cc1)c1cccc(Cl)c1[O-] ZINC000826465119 1425628311 /nfs/dbraw/zinc/62/83/11/1425628311.db2.gz ZMPFWJSLIVFDMY-UHFFFAOYSA-N -2 3 330.731 2.583 20 0 EFADHL O=C(CCC=Cc1ccccc1)[N-]c1ncc(-c2nn[n-]n2)s1 ZINC000822954999 1426974982 /nfs/dbraw/zinc/97/49/82/1426974982.db2.gz HXVDDJZLPPYDHD-XBXARRHUSA-N -2 3 326.385 2.755 20 0 EFADHL O=C(CCC=Cc1ccccc1)[N-]c1ncc(-c2nnn[n-]2)s1 ZINC000822954999 1426974984 /nfs/dbraw/zinc/97/49/84/1426974984.db2.gz HXVDDJZLPPYDHD-XBXARRHUSA-N -2 3 326.385 2.755 20 0 EFADHL O=C(OCc1ccc(-c2nn[n-]n2)cc1F)c1cccc(Cl)c1[O-] ZINC000826464901 1427646691 /nfs/dbraw/zinc/64/66/91/1427646691.db2.gz QYNFJABUZWNWLF-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(OCc1ccc(-c2nnn[n-]2)cc1F)c1cccc(Cl)c1[O-] ZINC000826464901 1427646693 /nfs/dbraw/zinc/64/66/93/1427646693.db2.gz QYNFJABUZWNWLF-UHFFFAOYSA-N -2 3 348.721 2.722 20 0 EFADHL O=C(OCc1cccc(-c2nn[n-]n2)c1)c1cccc(Cl)c1[O-] ZINC000826465964 1446518888 /nfs/dbraw/zinc/51/88/88/1446518888.db2.gz KEHRFCQLJDUYEP-UHFFFAOYSA-N -2 3 330.731 2.583 20 0 EFADHL O=C(OCc1cccc(-c2nnn[n-]2)c1)c1cccc(Cl)c1[O-] ZINC000826465964 1446518890 /nfs/dbraw/zinc/51/88/90/1446518890.db2.gz KEHRFCQLJDUYEP-UHFFFAOYSA-N -2 3 330.731 2.583 20 0 EFADHL CC[C@@H](CC(=O)[N-]c1ncc(-c2nn[n-]n2)s1)c1ccccc1 ZINC000820881621 1446706628 /nfs/dbraw/zinc/70/66/28/1446706628.db2.gz BZORGEICIJTLJF-JTQLQIEISA-N -2 3 328.401 2.846 20 0 EFADHL CC[C@@H](CC(=O)[N-]c1ncc(-c2nnn[n-]2)s1)c1ccccc1 ZINC000820881621 1446706630 /nfs/dbraw/zinc/70/66/30/1446706630.db2.gz BZORGEICIJTLJF-JTQLQIEISA-N -2 3 328.401 2.846 20 0 EFADHL O=C([N-]c1ncc(-c2nnn[n-]2)s1)C1(c2cccc(Cl)c2)CC1 ZINC000823380233 1449906268 /nfs/dbraw/zinc/90/62/68/1449906268.db2.gz SUZCVYLLGBHWFX-UHFFFAOYSA-N -2 3 346.803 2.647 20 0 EFADHL O=C([O-])c1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Cl)c2)cc1 ZINC000218000849 714769630 /nfs/dbraw/zinc/76/96/30/714769630.db2.gz LCOWPAHITHVIDR-UHFFFAOYSA-N -3 3 327.745 2.545 20 0 EFADHL O=C([O-])C1(NC(=O)c2cc([O-])c3ccccc3c2)CCSCC1 ZINC000909348990 715923246 /nfs/dbraw/zinc/92/32/46/715923246.db2.gz YNWZIUXUKUWFSP-UHFFFAOYSA-N -2 3 331.393 2.626 20 0 EFADHL O=C([N-]N=c1cnc2ccccc2[n-]1)c1ccncc1Br ZINC000193472380 717765580 /nfs/dbraw/zinc/76/55/80/717765580.db2.gz GXSBKJQJCBLDEW-UHFFFAOYSA-N -2 3 344.172 2.544 20 0 EFADHL O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)[N-]C2CCCC2)c1 ZINC000184853977 720378129 /nfs/dbraw/zinc/37/81/29/720378129.db2.gz APERYLDHGGLZBV-UHFFFAOYSA-N -2 3 338.212 2.913 20 0 EFADHL O=C([O-])[C@H](CNC(=O)CCCc1ccc([O-])c(F)c1)c1ccccc1 ZINC000909294963 727356792 /nfs/dbraw/zinc/35/67/92/727356792.db2.gz SPCNBIDZWGRLJQ-OAHLLOKOSA-N -2 3 345.370 2.839 20 0 EFADHL CC(C)[C@]1(C(=O)[O-])CCN(C(=O)CCCc2ccc([O-])c(F)c2)C1 ZINC000909699175 727363912 /nfs/dbraw/zinc/36/39/12/727363912.db2.gz DLPMTYLFAKSUBW-SFHVURJKSA-N -2 3 337.391 2.813 20 0 EFADHL O=C([O-])[C@@H](C[C@@H]1CCCOC1)NC(=O)c1cc([O-])c2ccccc2c1 ZINC000910244067 727422991 /nfs/dbraw/zinc/42/29/91/727422991.db2.gz OHLQYKOWHDHAQQ-BLLLJJGKSA-N -2 3 343.379 2.545 20 0 EFADHL O=C([N-]NC(=O)c1ccc(Cl)cc1[O-])c1ccc2ccccc2n1 ZINC000060616934 728391206 /nfs/dbraw/zinc/39/12/06/728391206.db2.gz CWJQDNAIQUOFRI-UHFFFAOYSA-N -2 3 341.754 2.669 20 0 EFADHL