smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000023385665 539713052 /nfs/dbraw/zinc/71/30/52/539713052.db2.gz XRPFDRGATYLRDK-UHFFFAOYSA-N -1 2 374.827 2.017 20 0 FEADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)c1 ZINC000032087891 539928534 /nfs/dbraw/zinc/92/85/34/539928534.db2.gz BAWDECKMGVJZOL-UHFFFAOYSA-N -1 2 352.393 2.132 20 0 FEADLM COC(=O)Cc1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000055581020 540660875 /nfs/dbraw/zinc/66/08/75/540660875.db2.gz WDMUTVLRIPIAJQ-UHFFFAOYSA-N -1 2 369.420 2.271 20 0 FEADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cccs1)OCCCO2 ZINC000013186475 324374347 /nfs/dbraw/zinc/37/43/47/324374347.db2.gz QQUZGMATQNMGED-UHFFFAOYSA-N -1 2 355.393 2.408 20 0 FEADLM Cc1cc(F)c(S(=O)(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1F ZINC000121876395 326373343 /nfs/dbraw/zinc/37/33/43/326373343.db2.gz JKPQTAPXEZYTDU-STQMWFEESA-N -1 2 362.442 2.051 20 0 FEADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(CCCC(=O)[O-])cc1 ZINC000133662122 326612718 /nfs/dbraw/zinc/61/27/18/326612718.db2.gz ZHAMQALPWDWLBU-UHFFFAOYSA-N -1 2 351.428 2.245 20 0 FEADLM CCOC(=O)c1cc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cn1C ZINC000266769500 329258032 /nfs/dbraw/zinc/25/80/32/329258032.db2.gz RXOQKRBAHBAIFK-UHFFFAOYSA-N -1 2 372.424 2.071 20 0 FEADLM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2n[nH]c(C(F)(F)F)n2)n1 ZINC000175849758 546361747 /nfs/dbraw/zinc/36/17/47/546361747.db2.gz OAGDVMILWVOHSR-UHFFFAOYSA-N -1 2 370.266 2.415 20 0 FEADLM Cc1nc(C)c(S(=O)(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)s1 ZINC000176829409 546493989 /nfs/dbraw/zinc/49/39/89/546493989.db2.gz DXRHQDBZAWZYQX-GFCCVEGCSA-N -1 2 365.524 2.485 20 0 FEADLM Cc1cccc(S(=O)(=O)Nc2cc3c(cc2C(=O)[O-])OCO3)c1F ZINC000484566313 561300160 /nfs/dbraw/zinc/30/01/60/561300160.db2.gz MSKJMAIMHAUHLG-UHFFFAOYSA-N -1 2 353.327 2.362 20 0 FEADLM COc1ccccc1-n1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)cn1 ZINC000484584149 561300604 /nfs/dbraw/zinc/30/06/04/561300604.db2.gz NABDBRAQYQORQQ-UHFFFAOYSA-N -1 2 373.390 2.380 20 0 FEADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])n(C)c1 ZINC000491088983 561442940 /nfs/dbraw/zinc/44/29/40/561442940.db2.gz LJMBCMSESBBBKH-UHFFFAOYSA-N -1 2 374.422 2.327 20 0 FEADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)ccc1Cl ZINC000285076608 551701036 /nfs/dbraw/zinc/70/10/36/551701036.db2.gz MATFNPIBOXHIII-UHFFFAOYSA-N -1 2 355.803 2.372 20 0 FEADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC(C)C)c1C ZINC000499291166 561547999 /nfs/dbraw/zinc/54/79/99/561547999.db2.gz MURPIDWAMHNIGJ-UHFFFAOYSA-N -1 2 367.427 2.355 20 0 FEADLM O=C(NCCc1[nH+]ccn1Cc1ccccc1)c1cc(F)cc2n[nH]nc21 ZINC000501536295 561600043 /nfs/dbraw/zinc/60/00/43/561600043.db2.gz ZFHCWFUGQGZAOH-UHFFFAOYSA-N -1 2 364.384 2.314 20 0 FEADLM Cc1cc(S(=O)(=O)N[C@H](c2[nH+]ccn2C)C(C)(C)CO)c(F)cc1F ZINC000295771088 553056779 /nfs/dbraw/zinc/05/67/79/553056779.db2.gz PWWXUOUIVOGZQG-CQSZACIVSA-N -1 2 373.425 2.045 20 0 FEADLM COc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c(C(=O)[O-])c1 ZINC000504630518 561660551 /nfs/dbraw/zinc/66/05/51/561660551.db2.gz ZEMKVPTWBSPAKF-UHFFFAOYSA-N -1 2 373.390 2.380 20 0 FEADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1CO ZINC000321931702 553767338 /nfs/dbraw/zinc/76/73/38/553767338.db2.gz CLDRZCUGLIGECN-UHFFFAOYSA-N -1 2 357.409 2.138 20 0 FEADLM COc1ccccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000325030670 553775023 /nfs/dbraw/zinc/77/50/23/553775023.db2.gz LXORMKSNIXOUMC-UHFFFAOYSA-N -1 2 352.324 2.102 20 0 FEADLM COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000516343788 562040590 /nfs/dbraw/zinc/04/05/90/562040590.db2.gz WIESASUNLZNJJZ-UHFFFAOYSA-N -1 2 371.392 2.042 20 0 FEADLM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000391722993 558614833 /nfs/dbraw/zinc/61/48/33/558614833.db2.gz KEXLOUXXPVNLMT-UHFFFAOYSA-N -1 2 373.383 2.481 20 0 FEADLM Cn1cc(S(=O)(=O)Nc2ccc(F)cc2OCC2CC2)cc1C(=O)[O-] ZINC000525368878 562246813 /nfs/dbraw/zinc/24/68/13/562246813.db2.gz QNRNWIYFDCWBHH-UHFFFAOYSA-N -1 2 368.386 2.452 20 0 FEADLM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2C(=O)[O-])c(F)c1 ZINC000526005193 562263332 /nfs/dbraw/zinc/26/33/32/562263332.db2.gz YGZPNNDUMVIUPT-UHFFFAOYSA-N -1 2 371.317 2.250 20 0 FEADLM CCn1ncc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)cc21 ZINC000433527113 559883682 /nfs/dbraw/zinc/88/36/82/559883682.db2.gz YQQIGKJQYJGJMA-UHFFFAOYSA-N -1 2 361.379 2.261 20 0 FEADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(C)c1C(F)(F)F ZINC000436150859 559936195 /nfs/dbraw/zinc/93/61/95/559936195.db2.gz GZIWFTZCJDWQQV-UHFFFAOYSA-N -1 2 363.317 2.246 20 0 FEADLM CCOc1ccncc1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000436476077 559942419 /nfs/dbraw/zinc/94/24/19/559942419.db2.gz HRODPBAEUVZCQQ-UHFFFAOYSA-N -1 2 358.322 2.258 20 0 FEADLM O=C([O-])c1cccc(NS(=O)(=O)c2cccnc2C(F)(F)F)c1O ZINC000436944317 559957101 /nfs/dbraw/zinc/95/71/01/559957101.db2.gz JNGVDLVCSOSGAG-UHFFFAOYSA-N -1 2 362.285 2.305 20 0 FEADLM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000438763803 559983262 /nfs/dbraw/zinc/98/32/62/559983262.db2.gz INLIZSVXPODXBA-UHFFFAOYSA-N -1 2 371.317 2.250 20 0 FEADLM CCOc1cc(CN2CCN(Cc3[nH]cc[nH+]3)CC2)cc(Cl)c1O ZINC000459341955 560680819 /nfs/dbraw/zinc/68/08/19/560680819.db2.gz GGLATQSMQGLLPC-UHFFFAOYSA-N -1 2 350.850 2.485 20 0 FEADLM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000462101062 560797235 /nfs/dbraw/zinc/79/72/35/560797235.db2.gz IEOFBSWPJLEKPU-UHFFFAOYSA-N -1 2 367.354 2.040 20 0 FEADLM COCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000466424847 560886794 /nfs/dbraw/zinc/88/67/94/560886794.db2.gz HHALGQXBVGPCRF-UHFFFAOYSA-N -1 2 351.380 2.080 20 0 FEADLM CC(C)Cc1ncc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cn1 ZINC000475826022 561106313 /nfs/dbraw/zinc/10/63/13/561106313.db2.gz IKOCTBUBGNNDIG-UHFFFAOYSA-N -1 2 363.439 2.493 20 0 FEADLM COc1ccc(OC)c(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)c1 ZINC000531383915 562444189 /nfs/dbraw/zinc/44/41/89/562444189.db2.gz FKAXRYFJFTVOLX-UHFFFAOYSA-N -1 2 355.343 2.342 20 0 FEADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1scnc1C1CC1 ZINC000535687226 562564056 /nfs/dbraw/zinc/56/40/56/562564056.db2.gz WOSNCNUVWVWCKQ-UHFFFAOYSA-N -1 2 368.436 2.457 20 0 FEADLM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)nc2)c(O)c1 ZINC000541077606 562602169 /nfs/dbraw/zinc/60/21/69/562602169.db2.gz YGMBMAFVOLNPBW-UHFFFAOYSA-N -1 2 362.285 2.305 20 0 FEADLM O=C([O-])Cc1ccccc1NS(=O)(=O)c1c(Cl)nc2ccccn21 ZINC000819626055 597315823 /nfs/dbraw/zinc/31/58/23/597315823.db2.gz CCLWMCQPPWGXGI-UHFFFAOYSA-N -1 2 365.798 2.416 20 0 FEADLM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000820507128 598208486 /nfs/dbraw/zinc/20/84/86/598208486.db2.gz SZSNQDIWLXPLQM-UHFFFAOYSA-N -1 2 367.379 2.057 20 0 FEADLM CCOc1c(OC)cc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1OC ZINC000821390218 599422702 /nfs/dbraw/zinc/42/27/02/599422702.db2.gz UBSSUKHSAVYBIW-UHFFFAOYSA-N -1 2 359.386 2.165 20 0 FEADLM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1C ZINC000737699147 599925850 /nfs/dbraw/zinc/92/58/50/599925850.db2.gz ICBLHEMZZZYRPM-UHFFFAOYSA-N -1 2 367.354 2.420 20 0 FEADLM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1O ZINC000392438663 600176969 /nfs/dbraw/zinc/17/69/69/600176969.db2.gz WEERQFHIZAWMEB-UHFFFAOYSA-N -1 2 372.742 2.453 20 0 FEADLM Cc1cc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c(C(=O)[O-])[nH]1 ZINC000738463802 600255734 /nfs/dbraw/zinc/25/57/34/600255734.db2.gz NQEWKPCIXSKMIY-UHFFFAOYSA-N -1 2 360.395 2.067 20 0 FEADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cn1 ZINC000739911632 600674513 /nfs/dbraw/zinc/67/45/13/600674513.db2.gz IJMKWQJBNSEKKD-UHFFFAOYSA-N -1 2 369.402 2.340 20 0 FEADLM Cc1cccc(Cn2nccc2NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000832969111 600815241 /nfs/dbraw/zinc/81/52/41/600815241.db2.gz HODJYIDNAICCGC-UHFFFAOYSA-N -1 2 374.422 2.077 20 0 FEADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)n(C)n1 ZINC000832974456 600995759 /nfs/dbraw/zinc/99/57/59/600995759.db2.gz MZMQJEYTKWXWHX-UHFFFAOYSA-N -1 2 360.395 2.223 20 0 FEADLM COc1ncc(C)cc1NS(=O)(=O)c1ccc(OCCC(=O)[O-])cc1 ZINC000832654268 601334124 /nfs/dbraw/zinc/33/41/24/601334124.db2.gz LLUAYSIMCWJDTK-UHFFFAOYSA-N -1 2 366.395 2.053 20 0 FEADLM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)cc1NC(C)=O ZINC000392190343 601357790 /nfs/dbraw/zinc/35/77/90/601357790.db2.gz SFWZOUFUPXYFOO-UHFFFAOYSA-N -1 2 370.408 2.214 20 0 FEADLM COc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c(OC)c1 ZINC000832419626 601382971 /nfs/dbraw/zinc/38/29/71/601382971.db2.gz SSJPFKQIVYOPAJ-UHFFFAOYSA-N -1 2 372.786 2.251 20 0 FEADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(OC(F)F)cc1 ZINC000833344943 601831526 /nfs/dbraw/zinc/83/15/26/601831526.db2.gz GRZDPDJCBMHGFW-UHFFFAOYSA-N -1 2 350.324 2.244 20 0 FEADLM CCn1ncc2ccc(NS(=O)(=O)c3csnc3C(=O)[O-])cc21 ZINC000830452081 601838771 /nfs/dbraw/zinc/83/87/71/601838771.db2.gz QVFPQEUJJNZLHF-UHFFFAOYSA-N -1 2 352.397 2.012 20 0 FEADLM COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000738053072 601988480 /nfs/dbraw/zinc/98/84/80/601988480.db2.gz OYQUYMOJWLAVCV-UHFFFAOYSA-N -1 2 367.354 2.040 20 0 FEADLM Cn1c(Cl)ncc1S(=O)(=O)Nc1cc(Cl)cc(C(=O)[O-])c1 ZINC000833039592 602200508 /nfs/dbraw/zinc/20/05/08/602200508.db2.gz NGCOCIBNTIWXNU-UHFFFAOYSA-N -1 2 350.183 2.226 20 0 FEADLM Cc1ccc2c([n-]cc(C(=O)N3CCC[C@@H]([C@H](C)NC(=O)[O-])C3)c2=O)[nH+]1 ZINC000830438846 604297856 /nfs/dbraw/zinc/29/78/56/604297856.db2.gz MFKLJWZJCGUNBV-NWDGAFQWSA-N -1 2 358.398 2.152 20 0 FEADLM Cc1ccc2c(n1)[nH]cc(C(=O)N1CCC[C@@H]([C@H](C)NC(=O)[O-])C1)c2=O ZINC000830438846 604297858 /nfs/dbraw/zinc/29/78/58/604297858.db2.gz MFKLJWZJCGUNBV-NWDGAFQWSA-N -1 2 358.398 2.152 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2ccc(-n3nccn3)cc2)sc1C(=O)[O-] ZINC000042791889 670169185 /nfs/dbraw/zinc/16/91/85/670169185.db2.gz WOEKTINWCYTHNL-UHFFFAOYSA-N -1 2 364.408 2.136 20 0 FEADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1c(C)ccc(F)c1C(=O)[O-] ZINC000681564624 672672926 /nfs/dbraw/zinc/67/29/26/672672926.db2.gz KOKJYPZJUVJYOW-UHFFFAOYSA-N -1 2 369.418 2.491 20 0 FEADLM Cc1ccccc1C[C@@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000275056719 672955935 /nfs/dbraw/zinc/95/59/35/672955935.db2.gz TYUFWJIXNNTDMF-JQWIXIFHSA-N -1 2 353.362 2.109 20 0 FEADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NC[C@@H](C(=O)[O-])C1CCC1 ZINC000665321432 678952407 /nfs/dbraw/zinc/95/24/07/678952407.db2.gz HTSVRICDBGXIFP-SNVBAGLBSA-N -1 2 364.427 2.039 20 0 FEADLM Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000758171808 680559450 /nfs/dbraw/zinc/55/94/50/680559450.db2.gz ZYFCWKGAFWFUSA-UHFFFAOYSA-N -1 2 367.280 2.433 20 0 FEADLM C[N@H+](CC(=O)OCc1cc(=O)[nH]c(-c2ccccc2)n1)[C@@H]1CCSC1 ZINC000837609820 680625919 /nfs/dbraw/zinc/62/59/19/680625919.db2.gz QFFRLQGJLZYOBK-OAHLLOKOSA-N -1 2 359.451 2.330 20 0 FEADLM Cc1c(C)c(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])n(C)n2)c(C)c1C ZINC000779521478 681722648 /nfs/dbraw/zinc/72/26/48/681722648.db2.gz LWFQXXFRRBVURS-UHFFFAOYSA-N -1 2 351.428 2.461 20 0 FEADLM COC(=O)c1cc(OC)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000063181618 541158450 /nfs/dbraw/zinc/15/84/50/541158450.db2.gz ALTBYKGVUYEKBR-UHFFFAOYSA-N -1 2 371.392 2.042 20 0 FEADLM Cc1[nH+]c2ccccc2n1CCCNS(=O)(=O)c1cn(C)c(Cl)n1 ZINC000123530691 543767927 /nfs/dbraw/zinc/76/79/27/543767927.db2.gz SQBMQDHOWOEDGY-UHFFFAOYSA-N -1 2 367.862 2.100 20 0 FEADLM Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C)o1 ZINC000135407472 544345276 /nfs/dbraw/zinc/34/52/76/544345276.db2.gz NTOAQPOEVPQJSS-UHFFFAOYSA-N -1 2 350.356 2.114 20 0 FEADLM O=C([O-])[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000187547378 328032670 /nfs/dbraw/zinc/03/26/70/328032670.db2.gz IGHUWRPPTCYYGD-BPLDGKMQSA-N -1 2 355.394 2.436 20 0 FEADLM COc1ccc(CCC(=O)[O-])cc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000268028391 329378107 /nfs/dbraw/zinc/37/81/07/329378107.db2.gz YKDNFRNBDIGLFC-UHFFFAOYSA-N -1 2 367.427 2.291 20 0 FEADLM Cn1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)c(C(=O)[O-])c2)cn1 ZINC000485027185 561310706 /nfs/dbraw/zinc/31/07/06/561310706.db2.gz DNDRRLOSNDGMCG-UHFFFAOYSA-N -1 2 350.183 2.226 20 0 FEADLM Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000227864452 548751991 /nfs/dbraw/zinc/75/19/91/548751991.db2.gz WRVITGXRYKLOAX-UHFFFAOYSA-N -1 2 350.183 2.226 20 0 FEADLM CCc1nc(C)c(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)s1 ZINC000489034816 561402002 /nfs/dbraw/zinc/40/20/02/561402002.db2.gz COJRTPZQOMTXTK-UHFFFAOYSA-N -1 2 356.425 2.278 20 0 FEADLM CCn1nccc1S(=O)(=O)Nc1ccc(S[C@H](C)C(=O)[O-])cc1 ZINC000284918713 551667338 /nfs/dbraw/zinc/66/73/38/551667338.db2.gz BRYUESCWIKTBMQ-SNVBAGLBSA-N -1 2 355.441 2.269 20 0 FEADLM Cn1cc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c(C2CC2)n1 ZINC000291117395 552588979 /nfs/dbraw/zinc/58/89/79/552588979.db2.gz NDAATDCDXOBCBZ-UHFFFAOYSA-N -1 2 355.803 2.450 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)ccc1C(=O)[O-] ZINC000507950575 561747085 /nfs/dbraw/zinc/74/70/85/561747085.db2.gz LERXETOPOSNNFK-UHFFFAOYSA-N -1 2 363.317 2.246 20 0 FEADLM Cn1cnc(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)n1 ZINC000364006960 555232316 /nfs/dbraw/zinc/23/23/16/555232316.db2.gz VROCFKPBKPSHMO-UHFFFAOYSA-N -1 2 364.408 2.043 20 0 FEADLM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000392156452 558615987 /nfs/dbraw/zinc/61/59/87/558615987.db2.gz HHARLUBWZDJKRR-UHFFFAOYSA-N -1 2 357.315 2.013 20 0 FEADLM Cc1nn(C)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c1C(F)F ZINC000414172129 559151413 /nfs/dbraw/zinc/15/14/13/559151413.db2.gz VOKOMJHHHFFOPD-UHFFFAOYSA-N -1 2 359.354 2.474 20 0 FEADLM Cc1nn(C)c(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c1C(F)F ZINC000414171331 559151570 /nfs/dbraw/zinc/15/15/70/559151570.db2.gz UMJXJHAISYUWPH-UHFFFAOYSA-N -1 2 359.354 2.094 20 0 FEADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)nn1C(C)C ZINC000421174897 559528840 /nfs/dbraw/zinc/52/88/40/559528840.db2.gz OWPCXDZGDCHVOI-UHFFFAOYSA-N -1 2 353.400 2.285 20 0 FEADLM Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@@H](C)[C@@H]2C(=O)[O-])=N1 ZINC000424248173 559659284 /nfs/dbraw/zinc/65/92/84/559659284.db2.gz IDAQQAJAVAMDAE-QLJPJBMISA-N -1 2 361.373 2.351 20 0 FEADLM 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ZINC000825963627 601383339 /nfs/dbraw/zinc/38/33/39/601383339.db2.gz GPMDSXVIVRITBL-UHFFFAOYSA-N -1 2 354.771 2.437 20 0 FEADLM O=C([O-])CCCc1csc(NS(=O)(=O)c2ccc(Cl)nc2)n1 ZINC000833230095 601771453 /nfs/dbraw/zinc/77/14/53/601771453.db2.gz XIZKSKGSVLDSBU-UHFFFAOYSA-N -1 2 361.832 2.400 20 0 FEADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(-c2cnco2)c1 ZINC000833346259 601837114 /nfs/dbraw/zinc/83/71/14/601837114.db2.gz MOLUKKBEOSVNPM-UHFFFAOYSA-N -1 2 351.365 2.297 20 0 FEADLM CC(C)(C)n1cc(NS(=O)(=O)c2cc(F)c(F)c(C(=O)[O-])c2)cn1 ZINC000751144578 601838104 /nfs/dbraw/zinc/83/81/04/601838104.db2.gz FNKDVBCJFHSXPX-UHFFFAOYSA-N -1 2 359.354 2.415 20 0 FEADLM COc1ccc(S(=O)(=O)Nc2[nH]nc(C3CC3)c2C)cc1C(=O)[O-] ZINC000832468441 602103062 /nfs/dbraw/zinc/10/30/62/602103062.db2.gz CEIRQJCPNAUAKZ-UHFFFAOYSA-N -1 2 351.384 2.103 20 0 FEADLM COc1ccc2nc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)sc2c1 ZINC000833735146 604699674 /nfs/dbraw/zinc/69/96/74/604699674.db2.gz RPXDOTNYWQBGCH-UHFFFAOYSA-N -1 2 365.392 2.199 20 0 FEADLM C[C@@H]1CN(C(=O)c2c(O)cnc3c(Br)cccc32)CC[N@@H+]1C ZINC000810442439 674544989 /nfs/dbraw/zinc/54/49/89/674544989.db2.gz SXGRZFSYZHDLKE-SNVBAGLBSA-N -1 2 364.243 2.479 20 0 FEADLM c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000826520761 608513779 /nfs/dbraw/zinc/51/37/79/608513779.db2.gz QPPGFDLVQPHOPG-QGZVFWFLSA-N -1 2 361.409 2.088 20 0 FEADLM c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000826520761 608513782 /nfs/dbraw/zinc/51/37/82/608513782.db2.gz QPPGFDLVQPHOPG-QGZVFWFLSA-N -1 2 361.409 2.088 20 0 FEADLM CCOc1ccncc1S(=O)(=O)Nc1c(C)cc(OC)cc1C(=O)[O-] ZINC000584577212 672201467 /nfs/dbraw/zinc/20/14/67/672201467.db2.gz WKJHJRBJRLDKIL-UHFFFAOYSA-N -1 2 366.395 2.296 20 0 FEADLM COc1cc(OC)c(NS(=O)(=O)c2ccc(F)cc2F)c(C(=O)[O-])c1 ZINC000587994587 672443914 /nfs/dbraw/zinc/44/39/14/672443914.db2.gz BWAANABXVLAAHI-UHFFFAOYSA-N -1 2 373.333 2.481 20 0 FEADLM COC(=O)c1csc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000611443516 676037258 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C[C@@H]1CCN(C(=O)N=c2nc(-c3ccsc3)[nH]s2)C[C@@H]1C(=O)[O-] ZINC000567877088 675332125 /nfs/dbraw/zinc/33/21/25/675332125.db2.gz GCCADPXAKVWGOM-SCZZXKLOSA-N -1 2 352.441 2.263 20 0 FEADLM COc1cccc(-c2nc(=NC(=O)NC3(CC(=O)[O-])CCC3)s[nH]2)c1 ZINC000649543049 677332551 /nfs/dbraw/zinc/33/25/51/677332551.db2.gz YZYQTPSHHAHNOZ-UHFFFAOYSA-N -1 2 362.411 2.155 20 0 FEADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cnc(Cl)c(C)c1 ZINC000759681140 680663567 /nfs/dbraw/zinc/66/35/67/680663567.db2.gz VSDWTVACFWPMOR-UHFFFAOYSA-N -1 2 370.814 2.480 20 0 FEADLM COC(=O)C1([C@@]2(O)CCC[N@H+](Cc3c(F)ccc(O)c3F)C2)CCC1 ZINC000897699447 690066223 /nfs/dbraw/zinc/06/62/23/690066223.db2.gz CUFSWPJMIGCVBO-GOSISDBHSA-N -1 2 355.381 2.341 20 0 FEADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000055570319 540659807 /nfs/dbraw/zinc/65/98/07/540659807.db2.gz LYRPQMLCHOPWHZ-UHFFFAOYSA-N -1 2 363.439 2.415 20 0 FEADLM Cc1oncc1NS(=O)(=O)c1ccc(OCCCC(=O)[O-])c(F)c1 ZINC000269325950 329508163 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CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000327551713 553789610 /nfs/dbraw/zinc/78/96/10/553789610.db2.gz SMCZVUSPYNXHQT-CYBMUJFWSA-N -1 2 354.435 2.242 20 0 FEADLM COC(=O)c1sccc1S(=O)(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000507561932 561733322 /nfs/dbraw/zinc/73/33/22/561733322.db2.gz CIPOYKSBKSNCBT-UHFFFAOYSA-N -1 2 355.393 2.342 20 0 FEADLM CC[C@H]1CN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)C[C@H]1[NH+]1CCOCC1 ZINC000333249811 554594243 /nfs/dbraw/zinc/59/42/43/554594243.db2.gz KBIPHHDXNVSYPX-WMLDXEAASA-N -1 2 374.481 2.289 20 0 FEADLM O=C(N=c1nc2n([nH]1)CCCC2)c1nn(-c2cccc(Cl)c2)cc1[O-] ZINC000616165782 555276829 /nfs/dbraw/zinc/27/68/29/555276829.db2.gz NRZOHVNSUKYLOG-UHFFFAOYSA-N -1 2 358.789 2.411 20 0 FEADLM Cc1noc2ncc(NS(=O)(=O)c3cc(C)cc(C(=O)[O-])c3F)cc12 ZINC000512726089 561913568 /nfs/dbraw/zinc/91/35/68/561913568.db2.gz UDMYDZRUSDSXPD-UHFFFAOYSA-N -1 2 365.342 2.478 20 0 FEADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc([S@@](C)=O)cc2)c1 ZINC000512753047 561914208 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COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)[nH]c2C(=O)[O-])c1 ZINC000325698439 600176282 /nfs/dbraw/zinc/17/62/82/600176282.db2.gz SBIRIEDNINUCPM-UHFFFAOYSA-N -1 2 372.786 2.262 20 0 FEADLM CN(C)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)nc1 ZINC000737375868 600246732 /nfs/dbraw/zinc/24/67/32/600246732.db2.gz OCRUNDVGFKCDDO-UHFFFAOYSA-N -1 2 355.803 2.300 20 0 FEADLM Cc1ccc(S(=O)(=O)Nc2cnn(CC(=O)[O-])c2)cc1C(F)(F)F ZINC000738655423 600530939 /nfs/dbraw/zinc/53/09/39/600530939.db2.gz UAVVDPBOVLHXAJ-UHFFFAOYSA-N -1 2 363.317 2.096 20 0 FEADLM C[S@](=O)Cc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000738179839 600613620 /nfs/dbraw/zinc/61/36/20/600613620.db2.gz NYNJIDIYPNPRPL-QHCPKHFHSA-N -1 2 371.411 2.203 20 0 FEADLM CCSCc1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000830169033 600685503 /nfs/dbraw/zinc/68/55/03/600685503.db2.gz LYTZHUJJPCYPKL-UHFFFAOYSA-N -1 2 355.441 2.022 20 0 FEADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)n(Cc2ccccc2)n1 ZINC000832898174 600827667 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O=C([O-])NCCOc1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1 ZINC000740668065 602447927 /nfs/dbraw/zinc/44/79/27/602447927.db2.gz LLKJWJBAFLKDDO-UHFFFAOYSA-N -1 2 372.349 2.412 20 0 FEADLM Cc1cccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)c1C(=O)[O-] ZINC000832972578 604402461 /nfs/dbraw/zinc/40/24/61/604402461.db2.gz GSOKEFDJKVFZAR-UHFFFAOYSA-N -1 2 367.330 2.364 20 0 FEADLM CCc1noc(C)c1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000825776770 607847303 /nfs/dbraw/zinc/84/73/03/607847303.db2.gz KIWLQLCWJJUNQD-UHFFFAOYSA-N -1 2 368.806 2.180 20 0 FEADLM COC(=O)c1sccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000609218821 675914543 /nfs/dbraw/zinc/91/45/43/675914543.db2.gz PDRYIHYAECPHJQ-UHFFFAOYSA-N -1 2 361.422 2.404 20 0 FEADLM CCc1cc2c(C[N@@H+](C)CC(C)(C)S(C)(=O)=O)cc(=O)oc2cc1O ZINC000124296639 671994594 /nfs/dbraw/zinc/99/45/94/671994594.db2.gz XTHSTNQCJDAPEY-UHFFFAOYSA-N -1 2 367.467 2.316 20 0 FEADLM Cc1sc2ncn(NC(=O)c3cc([N+](=O)[O-])ccc3[O-])c(=O)c2c1C ZINC000181839599 672431557 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Cc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000548200958 673933639 /nfs/dbraw/zinc/93/36/39/673933639.db2.gz ZFARHNNEQZCPHG-UHFFFAOYSA-N -1 2 367.354 2.404 20 0 FEADLM Cc1c(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)coc1C(=O)N(C)C ZINC000647128217 677295754 /nfs/dbraw/zinc/29/57/54/677295754.db2.gz VGIZPYWPFKFKJR-UHFFFAOYSA-N -1 2 366.395 2.097 20 0 FEADLM CC(=O)Nc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1C ZINC000751209562 680159970 /nfs/dbraw/zinc/15/99/70/680159970.db2.gz ISNVVTMOAVBPHU-UHFFFAOYSA-N -1 2 364.379 2.158 20 0 FEADLM Cc1ccc(C[C@@H](NS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])cc1C ZINC000837295225 680583790 /nfs/dbraw/zinc/58/37/90/680583790.db2.gz QVHHGXMYSWZLLI-ZYHUDNBSSA-N -1 2 353.362 2.169 20 0 FEADLM Cn1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc3c2CCC3)c1C1CC1 ZINC000769868767 680997804 /nfs/dbraw/zinc/99/78/04/680997804.db2.gz OKCGDPDFIUCTPO-UHFFFAOYSA-N -1 2 361.423 2.285 20 0 FEADLM Cc1cc2c(cc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F)OCO2 ZINC000781115303 681902802 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Cc1nn2cc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)cnc2c1Cl ZINC000484603664 561301008 /nfs/dbraw/zinc/30/10/08/561301008.db2.gz INIHRDSISXBLLK-UHFFFAOYSA-N -1 2 366.786 2.190 20 0 FEADLM CC(C)(NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)C(=O)[O-] ZINC000485367705 561317646 /nfs/dbraw/zinc/31/76/46/561317646.db2.gz LHMKJAVHQYPZHJ-UHFFFAOYSA-N -1 2 368.436 2.142 20 0 FEADLM COc1ccccc1[C@H](NC(=O)c1cccc2[nH]nnc21)c1noc(C)n1 ZINC000187974329 548267842 /nfs/dbraw/zinc/26/78/42/548267842.db2.gz JFTGFMDDUQBGAT-INIZCTEOSA-N -1 2 364.365 2.177 20 0 FEADLM Cc1nn(C)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C(F)(F)F)c1 ZINC000489305203 561407668 /nfs/dbraw/zinc/40/76/68/561407668.db2.gz KWGQNKDDPPWISV-UHFFFAOYSA-N -1 2 363.317 2.246 20 0 FEADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)cc1F ZINC000489723365 561417837 /nfs/dbraw/zinc/41/78/37/561417837.db2.gz VILUAFFBENIBPR-UHFFFAOYSA-N -1 2 367.280 2.084 20 0 FEADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](CCC(=O)[O-])Cc1ccccc1 ZINC000262437538 549819960 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COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(OC)c2)s1 ZINC000432775777 559864300 /nfs/dbraw/zinc/86/43/00/559864300.db2.gz JZMJAMWFMLZPAV-UHFFFAOYSA-N -1 2 371.392 2.042 20 0 FEADLM CC(C)COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cn1 ZINC000433502322 559883154 /nfs/dbraw/zinc/88/31/54/559883154.db2.gz PKKLYUTYQAPTCN-UHFFFAOYSA-N -1 2 366.395 2.321 20 0 FEADLM O=C([O-])CCc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)[nH]n2)cc1 ZINC000435719926 559928828 /nfs/dbraw/zinc/92/88/28/559928828.db2.gz RTVYXVUTNOSVJH-UHFFFAOYSA-N -1 2 363.317 2.247 20 0 FEADLM N=c1[n-]nc(CCNC(=O)c2cc(-c3ccccc3)cc(Cl)c2O)o1 ZINC000436642873 559947446 /nfs/dbraw/zinc/94/74/46/559947446.db2.gz VJKGDZBPANKERE-UHFFFAOYSA-N -1 2 358.785 2.650 20 0 FEADLM COCc1ccc(OC)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2O)c1 ZINC000436672644 559948459 /nfs/dbraw/zinc/94/84/59/559948459.db2.gz MWTSCEGAVQNXCR-UHFFFAOYSA-N -1 2 367.379 2.046 20 0 FEADLM CO[C@@H](C)c1nc(=NC(=O)c2ccc(Br)cc2O)s[n-]1 ZINC000436732984 559950314 /nfs/dbraw/zinc/95/03/14/559950314.db2.gz VPNVMBLSBQNSPO-LURJTMIESA-N -1 2 358.217 2.388 20 0 FEADLM O=C([O-])c1cccc(NS(=O)(=O)c2cnccc2C(F)(F)F)c1O ZINC000436993382 559958893 /nfs/dbraw/zinc/95/88/93/559958893.db2.gz BOLGBTICVAXOKK-UHFFFAOYSA-N -1 2 362.285 2.305 20 0 FEADLM O=C([O-])CCCOc1ccc(S(=O)(=O)Nc2cncnc2)cc1Cl ZINC000464531072 560844559 /nfs/dbraw/zinc/84/45/59/560844559.db2.gz UTLCXNUWMUYNOO-UHFFFAOYSA-N -1 2 371.802 2.174 20 0 FEADLM COc1ccc(-n2cc([O-])c(C(=O)N=c3nc(C4(C)CC4)[nH]s3)n2)cc1 ZINC000529697248 562381305 /nfs/dbraw/zinc/38/13/05/562381305.db2.gz GLMIKVSWNBHQNJ-UHFFFAOYSA-N -1 2 371.422 2.164 20 0 FEADLM CN1CC[NH+](CCCCNC(=O)c2c(O)cc(Cl)cc2Cl)CC1 ZINC000531190326 562437662 /nfs/dbraw/zinc/43/76/62/562437662.db2.gz JEDAECKCYRAFEA-UHFFFAOYSA-N -1 2 360.285 2.456 20 0 FEADLM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)s1 ZINC000533166577 562500245 /nfs/dbraw/zinc/50/02/45/562500245.db2.gz PWIMKOGRAYGHPV-UHFFFAOYSA-N -1 2 359.356 2.173 20 0 FEADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)nn1[C@H](C)C1CC1 ZINC000541302375 562608402 /nfs/dbraw/zinc/60/84/02/562608402.db2.gz UNNQAMAXGQUQFZ-SNVBAGLBSA-N -1 2 352.416 2.000 20 0 FEADLM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccsc1C(=O)[O-] ZINC000738039231 599873866 /nfs/dbraw/zinc/87/38/66/599873866.db2.gz LOWIGCMPAXSBDJ-UHFFFAOYSA-N -1 2 370.408 2.214 20 0 FEADLM O=C([O-])Cc1csc(NS(=O)(=O)c2c(Cl)cccc2Cl)n1 ZINC000037461846 600050759 /nfs/dbraw/zinc/05/07/59/600050759.db2.gz COGGHGYKPLAFBP-UHFFFAOYSA-N -1 2 367.235 2.878 20 0 FEADLM O=C([O-])Cc1csc(NS(=O)(=O)c2ccc3c(c2)CCCC3)n1 ZINC000320344463 600050974 /nfs/dbraw/zinc/05/09/74/600050974.db2.gz OXYRAQQTWSKYQP-UHFFFAOYSA-N -1 2 352.437 2.450 20 0 FEADLM COc1cc(Cl)ccc1S(=O)(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000314345460 600051234 /nfs/dbraw/zinc/05/12/34/600051234.db2.gz TZWKKUJNXYBMKA-UHFFFAOYSA-N -1 2 362.816 2.233 20 0 FEADLM C[S@](=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c1 ZINC000738180611 600177453 /nfs/dbraw/zinc/17/74/53/600177453.db2.gz XTDPJRJFIQSULE-QFIPXVFZSA-N -1 2 357.384 2.062 20 0 FEADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2cccc(-c3cccs3)c2)cn1 ZINC000833274260 600679376 /nfs/dbraw/zinc/67/93/76/600679376.db2.gz WCEDFZCTIZMULE-UHFFFAOYSA-N -1 2 363.420 2.497 20 0 FEADLM CC[C@H]1CCc2nc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)sc2C1 ZINC000829134243 600976071 /nfs/dbraw/zinc/97/60/71/600976071.db2.gz QVKBMNLCBZIPAJ-QMMMGPOBSA-N -1 2 355.441 2.485 20 0 FEADLM COc1ccc(OC)c(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c1 ZINC000832436392 601382921 /nfs/dbraw/zinc/38/29/21/601382921.db2.gz WGFISEWLIISUMV-UHFFFAOYSA-N -1 2 372.786 2.251 20 0 FEADLM Cc1nnc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C(=O)[O-])s1 ZINC000833021984 601502748 /nfs/dbraw/zinc/50/27/48/601502748.db2.gz UYHBBGUQOGFDSF-UHFFFAOYSA-N -1 2 367.330 2.364 20 0 FEADLM CCOc1ncccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000751144394 601835508 /nfs/dbraw/zinc/83/55/08/601835508.db2.gz AQILDWBABCTMJW-UHFFFAOYSA-N -1 2 358.322 2.258 20 0 FEADLM Cc1ccc(F)c(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)c1 ZINC000832934698 602106873 /nfs/dbraw/zinc/10/68/73/602106873.db2.gz PMLWDGBGUGWSJV-UHFFFAOYSA-N -1 2 359.404 2.194 20 0 FEADLM CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000825951793 602305889 /nfs/dbraw/zinc/30/58/89/602305889.db2.gz OXUHNFOUCOZHSK-UHFFFAOYSA-N -1 2 374.827 2.427 20 0 FEADLM COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c1 ZINC000754759917 602323270 /nfs/dbraw/zinc/32/32/70/602323270.db2.gz WAIMYJIHKLCBCQ-UHFFFAOYSA-N -1 2 371.317 2.250 20 0 FEADLM Cc1ccc2c([n-]cc(C(=O)N3CCC([C@@H](C)NC(=O)[O-])CC3)c2=O)[nH+]1 ZINC000740152906 602460847 /nfs/dbraw/zinc/46/08/47/602460847.db2.gz HFATZYVJWSAFPO-LLVKDONJSA-N -1 2 358.398 2.152 20 0 FEADLM O=C([O-])Nc1ccccc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000740717798 602653992 /nfs/dbraw/zinc/65/39/92/602653992.db2.gz ZNNSZZBQOIXFEJ-UHFFFAOYSA-N -1 2 350.352 2.349 20 0 FEADLM Cc1ccc2c([n-]cc(C(=O)N3CCC[C@H]([C@H](C)NC(=O)[O-])C3)c2=O)[nH+]1 ZINC000830438847 604297791 /nfs/dbraw/zinc/29/77/91/604297791.db2.gz MFKLJWZJCGUNBV-RYUDHWBXSA-N -1 2 358.398 2.152 20 0 FEADLM Cc1ccc2c(n1)[nH]cc(C(=O)N1CCC[C@H]([C@H](C)NC(=O)[O-])C1)c2=O ZINC000830438847 604297793 /nfs/dbraw/zinc/29/77/93/604297793.db2.gz MFKLJWZJCGUNBV-RYUDHWBXSA-N -1 2 358.398 2.152 20 0 FEADLM Cc1nn2cc(S(=O)(=O)Nc3ccccc3C(=O)[O-])cnc2c1Cl ZINC000543665665 604666931 /nfs/dbraw/zinc/66/69/31/604666931.db2.gz BLRYSGTTXFQSCW-UHFFFAOYSA-N -1 2 366.786 2.190 20 0 FEADLM CC(C)Cn1cc(NS(=O)(=O)c2ccc(C3(C(=O)[O-])CC3)cc2)cn1 ZINC000833494976 605123752 /nfs/dbraw/zinc/12/37/52/605123752.db2.gz SXIHRRPAHGCCAI-UHFFFAOYSA-N -1 2 363.439 2.456 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2cnc3c(c2)C[C@H](NC(=O)[O-])CC3)c(C)o1 ZINC000833901065 606078166 /nfs/dbraw/zinc/07/81/66/606078166.db2.gz IAEOEEPJDCBAJJ-GFCCVEGCSA-N -1 2 365.411 2.217 20 0 FEADLM Cn1ncc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1C(=O)[O-] ZINC000580265019 671793366 /nfs/dbraw/zinc/79/33/66/671793366.db2.gz BGDAEUNDENWYAN-UHFFFAOYSA-N -1 2 363.317 2.024 20 0 FEADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000274949291 672955372 /nfs/dbraw/zinc/95/53/72/672955372.db2.gz SJYJCWPWOMCZSF-QPUJVOFHSA-N -1 2 364.345 2.034 20 0 FEADLM COc1ccc(O)c(S(=O)(=O)Nc2cc(F)c(F)cc2C(=O)[O-])c1 ZINC000538298476 673432601 /nfs/dbraw/zinc/43/26/01/673432601.db2.gz MSEVHTAVHBSFGA-UHFFFAOYSA-N -1 2 359.306 2.178 20 0 FEADLM O=C([O-])c1cc(Cl)ccc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000547639432 673877226 /nfs/dbraw/zinc/87/72/26/673877226.db2.gz MFJQHUHOTAKVDP-UHFFFAOYSA-N -1 2 365.745 2.301 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2cnn(C)c2C(F)F)cc(C(=O)[O-])c1C ZINC000677552783 679685826 /nfs/dbraw/zinc/68/58/26/679685826.db2.gz ZWRGKPJITYKJIF-UHFFFAOYSA-N -1 2 359.354 2.474 20 0 FEADLM OC1CC[NH+](CCCNc2nc(-c3cc(F)cc(F)c3)ns2)CC1 ZINC000645130190 677254102 /nfs/dbraw/zinc/25/41/02/677254102.db2.gz OQCNSDHWQRFGTN-UHFFFAOYSA-N -1 2 354.426 2.164 20 0 FEADLM C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000762452888 680750226 /nfs/dbraw/zinc/75/02/26/680750226.db2.gz ICRKTXDORJVIRS-HSZRJFAPSA-N -1 2 371.411 2.203 20 0 FEADLM Cc1cc(=O)[nH]c([C@H](C)[N@@H+](C)CCOCCNC(=O)OC(C)(C)C)n1 ZINC000859859281 683164931 /nfs/dbraw/zinc/16/49/31/683164931.db2.gz UIVVYUYEYVTCFL-ZDUSSCGKSA-N -1 2 354.451 2.025 20 0 FEADLM COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cc(F)ccc2C(=O)[O-])c1 ZINC000920315553 683334167 /nfs/dbraw/zinc/33/41/67/683334167.db2.gz JTKLXJSFPSIXER-UHFFFAOYSA-N -1 2 371.317 2.250 20 0 FEADLM COC(=O)Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)cc1 ZINC000861810138 683477629 /nfs/dbraw/zinc/47/76/29/683477629.db2.gz FBNXOWJNZYDVFH-UHFFFAOYSA-N -1 2 367.354 2.040 20 0 FEADLM COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000032585673 539943616 /nfs/dbraw/zinc/94/36/16/539943616.db2.gz DRCIUAHPCKILHY-UHFFFAOYSA-N -1 2 353.352 2.182 20 0 FEADLM COC(=O)c1c(C)nc(=O)[nH]c1SCc1ccc(-n2cc[nH+]c2)cc1 ZINC000191735622 328279401 /nfs/dbraw/zinc/27/94/01/328279401.db2.gz PBPNACFZQSOBCG-UHFFFAOYSA-N -1 2 356.407 2.343 20 0 FEADLM O=C(Nc1n[nH]c(C(F)(F)F)n1)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000081936494 325203893 /nfs/dbraw/zinc/20/38/93/325203893.db2.gz IEEBPGYTZDCSNN-UHFFFAOYSA-N -1 2 356.239 2.106 20 0 FEADLM Cn1ncc2c1[nH]cc(C(=O)NCCc1csc(C(C)(C)C)n1)c2=O ZINC000119457034 326164520 /nfs/dbraw/zinc/16/45/20/326164520.db2.gz WXLQLPXNORYJGX-UHFFFAOYSA-N -1 2 359.455 2.400 20 0 FEADLM O=C([O-])c1cccc(NS(=O)(=O)c2cncc(Br)c2)c1O ZINC000124646726 326457561 /nfs/dbraw/zinc/45/75/61/326457561.db2.gz RYJWELRBENCALR-UHFFFAOYSA-N -1 2 373.184 2.049 20 0 FEADLM COc1cccc(OC)c1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000479509356 561191008 /nfs/dbraw/zinc/19/10/08/561191008.db2.gz CHEAVZZXAPXCPU-UHFFFAOYSA-N -1 2 351.380 2.132 20 0 FEADLM CC(C)c1ccc(-n2cc([O-])c(C(=O)N(C)C[C@@H](C)c3nn[nH]n3)n2)cc1 ZINC000183415561 547654656 /nfs/dbraw/zinc/65/46/56/547654656.db2.gz DVPIRGLFQAJCRO-GFCCVEGCSA-N -1 2 369.429 2.090 20 0 FEADLM O=C([O-])CCCNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000485548027 561322075 /nfs/dbraw/zinc/32/20/75/561322075.db2.gz PIWZIEZYXQGKRD-UHFFFAOYSA-N -1 2 368.436 2.144 20 0 FEADLM Cc1nc([C@@H](NC(=O)c2cccc3[nH]nnc32)c2ccccc2F)no1 ZINC000187989600 548268424 /nfs/dbraw/zinc/26/84/24/548268424.db2.gz BNQNTSXDQYRLKV-HNNXBMFYSA-N -1 2 352.329 2.308 20 0 FEADLM CN1CC[NH+](Cc2cccc(NC(=O)c3cc(F)cc4n[nH]nc43)c2)CC1 ZINC000277665913 550698554 /nfs/dbraw/zinc/69/85/54/550698554.db2.gz LZQYQZFSMZXCNK-UHFFFAOYSA-N -1 2 368.416 2.097 20 0 FEADLM CCn1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cn1 ZINC000281994457 551167170 /nfs/dbraw/zinc/16/71/70/551167170.db2.gz NAPLDDFMIZZTQB-UHFFFAOYSA-N -1 2 353.400 2.189 20 0 FEADLM O=C([O-])C[C@H](CCNS(=O)(=O)c1c(F)cccc1F)C(F)(F)F ZINC000285170086 551714623 /nfs/dbraw/zinc/71/46/23/551714623.db2.gz PUPWIDARBJBWRV-ZETCQYMHSA-N -1 2 361.288 2.286 20 0 FEADLM Cc1nn(C)cc1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(C)C ZINC000287587680 552022106 /nfs/dbraw/zinc/02/21/06/552022106.db2.gz QGFRMGXJLXPVPI-UHFFFAOYSA-N -1 2 353.400 2.015 20 0 FEADLM C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NOC(C)(C)CO)C[C@@H](C)O1 ZINC000296741085 553205314 /nfs/dbraw/zinc/20/53/14/553205314.db2.gz VIEAXZUSMUYMAK-ZIAGYGMSSA-N -1 2 351.447 2.120 20 0 FEADLM COc1ccc(NS(=O)(=O)c2c(OC)cccc2OC)c(C(=O)[O-])c1 ZINC000504665577 561660879 /nfs/dbraw/zinc/66/08/79/561660879.db2.gz IFRWPFRQWCXMMG-UHFFFAOYSA-N -1 2 367.379 2.211 20 0 FEADLM C[C@H]1C[C@@H](NC(=O)N=c2ncn(C(C)(C)C)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000332847007 554529075 /nfs/dbraw/zinc/52/90/75/554529075.db2.gz BRKUBUZEQOODPD-GOEBONIOSA-N -1 2 356.474 2.818 20 0 FEADLM CCOC(=O)c1n[nH]c(C2CC[NH+](CC(=O)Nc3cccc(C)c3)CC2)n1 ZINC000365681108 555639206 /nfs/dbraw/zinc/63/92/06/555639206.db2.gz XHQPCRTYXSOUJC-UHFFFAOYSA-N -1 2 371.441 2.108 20 0 FEADLM Cc1cn(-c2cccnc2)nc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000367000862 555994398 /nfs/dbraw/zinc/99/43/98/555994398.db2.gz BDSBBYGDPQQGDC-UHFFFAOYSA-N -1 2 372.406 2.383 20 0 FEADLM CCc1nc(C[N@H+]2CCCN(C(=O)c3ccc(O)cc3O)CC2)cs1 ZINC000374729138 557921985 /nfs/dbraw/zinc/92/19/85/557921985.db2.gz VQNAIBKZBGSILQ-UHFFFAOYSA-N -1 2 361.467 2.465 20 0 FEADLM COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000392201652 558616496 /nfs/dbraw/zinc/61/64/96/558616496.db2.gz ZBCMLDOGVJOQTO-UHFFFAOYSA-N -1 2 367.379 2.490 20 0 FEADLM COc1cncc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)c1 ZINC000410386770 558754571 /nfs/dbraw/zinc/75/45/71/558754571.db2.gz YDFATLBLGVTEED-UHFFFAOYSA-N -1 2 366.395 2.376 20 0 FEADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)CC(C)(C)OC ZINC000414376010 559159539 /nfs/dbraw/zinc/15/95/39/559159539.db2.gz BLNQLZLDAQVASU-UHFFFAOYSA-N -1 2 351.808 2.214 20 0 FEADLM COC(=O)c1ccc(O)cc1NS(=O)(=O)c1cc(C)c(C(=O)[O-])s1 ZINC000436663009 559948257 /nfs/dbraw/zinc/94/82/57/559948257.db2.gz HXAFCRKHTQMHPY-UHFFFAOYSA-N -1 2 371.392 2.048 20 0 FEADLM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(O)c1 ZINC000436827786 559953444 /nfs/dbraw/zinc/95/34/44/559953444.db2.gz VICGAZAJPHZOSQ-UHFFFAOYSA-N -1 2 367.427 2.361 20 0 FEADLM CCC(=O)c1ccc(O)c(NC(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)c1 ZINC000436832257 559953716 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FEADLM Cc1ccc2c(n1)[nH]cc(C(=O)NCCOc1ccc(C(=O)[O-])cc1)c2=O ZINC000738663772 599951292 /nfs/dbraw/zinc/95/12/92/599951292.db2.gz CVZVDUYJEHJMRD-UHFFFAOYSA-N -1 2 367.361 2.151 20 0 FEADLM COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2nccs2)c1OC ZINC000737870154 600051484 /nfs/dbraw/zinc/05/14/84/600051484.db2.gz DUPHDDIQQTZTHW-ARJAWSKDSA-N -1 2 370.408 2.059 20 0 FEADLM COC(=O)c1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)nc1 ZINC000737689442 600169237 /nfs/dbraw/zinc/16/92/37/600169237.db2.gz YDENMEKCQZZKNM-UHFFFAOYSA-N -1 2 370.770 2.021 20 0 FEADLM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3n[nH]cc32)c(F)cc1F ZINC000740089650 600234361 /nfs/dbraw/zinc/23/43/61/600234361.db2.gz HQUHNLMTWGHDGD-UHFFFAOYSA-N -1 2 353.306 2.340 20 0 FEADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2ccc3c4c(cccc42)CC3)cn1 ZINC000833273928 600673028 /nfs/dbraw/zinc/67/30/28/600673028.db2.gz LGZPEUHPJAKPEK-UHFFFAOYSA-N -1 2 357.391 2.020 20 0 FEADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cn1 ZINC000833273850 600977263 /nfs/dbraw/zinc/97/72/63/600977263.db2.gz HGVDGQDAMDOBFX-UHFFFAOYSA-N -1 2 372.815 2.032 20 0 FEADLM COCc1csc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)n1 ZINC000831826536 600983063 /nfs/dbraw/zinc/98/30/63/600983063.db2.gz FRECFUQDFKKQBO-UHFFFAOYSA-N -1 2 362.816 2.442 20 0 FEADLM C/C(=C/COC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1)C(=O)[O-] ZINC000825769215 601425724 /nfs/dbraw/zinc/42/57/24/601425724.db2.gz LABXLLIRWZYHPF-YWEYNIOJSA-N -1 2 366.167 2.478 20 0 FEADLM O=C([O-])c1ccccc1NC(=O)COC(=O)c1cc(F)c(O)c(F)c1 ZINC000833112521 601446823 /nfs/dbraw/zinc/44/68/23/601446823.db2.gz XITVOEYCMJCHHJ-UHFFFAOYSA-N -1 2 351.261 2.164 20 0 FEADLM CCCc1nnc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)s1 ZINC000829574148 601503443 /nfs/dbraw/zinc/50/34/43/601503443.db2.gz RIEYXSKFTQVEPO-RMKNXTFCSA-N -1 2 353.425 2.389 20 0 FEADLM O=C([O-])c1nscc1S(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000833346332 601767714 /nfs/dbraw/zinc/76/77/14/601767714.db2.gz NSQLRDORSVYYON-UHFFFAOYSA-N -1 2 359.454 2.368 20 0 FEADLM CC[C@H](C)[C@H](NC(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000739226084 602115001 /nfs/dbraw/zinc/11/50/01/602115001.db2.gz OHGAUNQSYKTIJO-KWQFWETISA-N -1 2 352.416 2.038 20 0 FEADLM Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)c1 ZINC000832983158 602159523 /nfs/dbraw/zinc/15/95/23/602159523.db2.gz LYHKIZOEJPPGEF-UHFFFAOYSA-N -1 2 372.406 2.383 20 0 FEADLM Cc1ccc2c([n-]cc(C(=O)N3CCC[C@H]([C@@H](C)NC(=O)[O-])C3)c2=O)[nH+]1 ZINC000830438845 604298105 /nfs/dbraw/zinc/29/81/05/604298105.db2.gz MFKLJWZJCGUNBV-NEPJUHHUSA-N -1 2 358.398 2.152 20 0 FEADLM Cc1ccc2c(n1)[nH]cc(C(=O)N1CCC[C@H]([C@@H](C)NC(=O)[O-])C1)c2=O ZINC000830438845 604298107 /nfs/dbraw/zinc/29/81/07/604298107.db2.gz MFKLJWZJCGUNBV-NEPJUHHUSA-N -1 2 358.398 2.152 20 0 FEADLM CC(C)C[C@H](NC(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000824282706 605601953 /nfs/dbraw/zinc/60/19/53/605601953.db2.gz GPILZOXMZCMPOH-JTQLQIEISA-N -1 2 352.416 2.038 20 0 FEADLM COc1cc(OC)c(NS(=O)(=O)c2ccc(Cl)nc2)c(C(=O)[O-])c1 ZINC000068076770 670465638 /nfs/dbraw/zinc/46/56/38/670465638.db2.gz VNAHEOFKIYKXHS-UHFFFAOYSA-N -1 2 372.786 2.251 20 0 FEADLM NC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)ccc1Cl ZINC000324845342 673047496 /nfs/dbraw/zinc/04/74/96/673047496.db2.gz FZEMFNVLFXVLMT-UHFFFAOYSA-N -1 2 372.761 2.077 20 0 FEADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1N1CCOC1=O ZINC000742235569 673715019 /nfs/dbraw/zinc/71/50/19/673715019.db2.gz UKWACZCJEJEBER-UHFFFAOYSA-N -1 2 366.351 2.044 20 0 FEADLM CCOc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc(Cl)c1O ZINC000547269146 673838382 /nfs/dbraw/zinc/83/83/82/673838382.db2.gz AUIORABDBWOAED-UHFFFAOYSA-N -1 2 351.794 2.157 20 0 FEADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](CCCc1ccccc1)C(=O)[O-] ZINC000547888968 673897930 /nfs/dbraw/zinc/89/79/30/673897930.db2.gz NIAPVXOQVCYEBF-ZYHUDNBSSA-N -1 2 353.362 2.333 20 0 FEADLM Cc1cccc(C[C@@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])c1 ZINC000548214467 673935783 /nfs/dbraw/zinc/93/57/83/673935783.db2.gz WPVAIKYYZQJTOS-JQWIXIFHSA-N -1 2 353.362 2.109 20 0 FEADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(C)c1 ZINC000677185132 679666363 /nfs/dbraw/zinc/66/63/63/679666363.db2.gz HNPAQVVOUHOYDB-UHFFFAOYSA-N -1 2 351.428 2.352 20 0 FEADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000677997532 679709067 /nfs/dbraw/zinc/70/90/67/679709067.db2.gz YMQRQPZKYMWFMU-UHFFFAOYSA-N -1 2 351.428 2.352 20 0 FEADLM CO[C@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O)[C@@H]1CCOC1 ZINC000656626964 677791901 /nfs/dbraw/zinc/79/19/01/677791901.db2.gz QKJBVOMJXWLEEM-PRHODGIISA-N -1 2 370.254 2.492 20 0 FEADLM COC(=O)c1csc(NS(=O)(=O)c2cc(C)c(F)c(C(=O)[O-])c2)c1 ZINC000763291152 680778574 /nfs/dbraw/zinc/77/85/74/680778574.db2.gz RNEGJXQYLNBJPB-UHFFFAOYSA-N -1 2 373.383 2.481 20 0 FEADLM C[N@H+](CC(=O)OCc1cc(=O)[nH]c(-c2ccccc2)n1)[C@H]1CCSC1 ZINC000837609819 680625981 /nfs/dbraw/zinc/62/59/81/680625981.db2.gz QFFRLQGJLZYOBK-HNNXBMFYSA-N -1 2 359.451 2.330 20 0 FEADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(C(F)F)c2)cc(F)c1F ZINC000766374528 680875012 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O=C([O-])Cc1cccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000484528406 561299288 /nfs/dbraw/zinc/29/92/88/561299288.db2.gz JHSNLJNVZAYNLJ-UHFFFAOYSA-N -1 2 371.418 2.359 20 0 FEADLM CN1C(=O)C[C@@H](NC(=O)c2cccc3[nH]nnc32)[C@@H]1c1ccc(Cl)cc1 ZINC000188682327 548285172 /nfs/dbraw/zinc/28/51/72/548285172.db2.gz SQHXXZNZBYOSBN-PBHICJAKSA-N -1 2 369.812 2.313 20 0 FEADLM COc1ccc([C@@H](NC(=O)c2cccc3n[nH]nc32)c2[nH+]ccn2C)cc1 ZINC000189688878 548307303 /nfs/dbraw/zinc/30/73/03/548307303.db2.gz IGMHGGWELUARGF-MRXNPFEDSA-N -1 2 362.393 2.219 20 0 FEADLM COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)n1 ZINC000488980683 561400857 /nfs/dbraw/zinc/40/08/57/561400857.db2.gz OMJOYORFMALKGV-VIFPVBQESA-N -1 2 373.818 2.243 20 0 FEADLM CS(=O)(=O)NC[C@H]1CCC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000290436953 552478712 /nfs/dbraw/zinc/47/87/12/552478712.db2.gz NNQGAGCZZRBGLT-LLVKDONJSA-N -1 2 366.405 2.172 20 0 FEADLM CCOc1ncccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000324837107 553774028 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Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000281940624 551160365 /nfs/dbraw/zinc/16/03/65/551160365.db2.gz IUWZTSJUALRVMC-UHFFFAOYSA-N -1 2 367.427 2.323 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2cc3n(n2)CCCC3)cc(C(=O)[O-])c1F ZINC000285142845 551710655 /nfs/dbraw/zinc/71/06/55/551710655.db2.gz RAEKRRAKNOEWAM-UHFFFAOYSA-N -1 2 353.375 2.166 20 0 FEADLM Cn1cc(S(=O)(=O)Nc2csc(-c3ccccn3)n2)cc1C(=O)[O-] ZINC000499350017 561549438 /nfs/dbraw/zinc/54/94/38/561549438.db2.gz VQLHMJIEAVZRTN-UHFFFAOYSA-N -1 2 364.408 2.043 20 0 FEADLM Cc1cc(F)c(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C2CC2)n(C)n1 ZINC000292184469 552702254 /nfs/dbraw/zinc/70/22/54/552702254.db2.gz YNTCFGQRNDSFNF-UHFFFAOYSA-N -1 2 353.375 2.244 20 0 FEADLM COCCCn1cc(C)c(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n1 ZINC000296535655 553175743 /nfs/dbraw/zinc/17/57/43/553175743.db2.gz DPTSWFLMJXAAKT-UHFFFAOYSA-N -1 2 367.427 2.035 20 0 FEADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000304860907 553747371 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Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)cc1C(=O)[O-] ZINC000436183460 559936969 /nfs/dbraw/zinc/93/69/69/559936969.db2.gz JDSBUFXRXACOTK-UHFFFAOYSA-N -1 2 363.317 2.246 20 0 FEADLM CO[C@H](C)c1nc(=NC(=O)c2ccc(Br)cc2O)s[n-]1 ZINC000436732986 559950411 /nfs/dbraw/zinc/95/04/11/559950411.db2.gz VPNVMBLSBQNSPO-ZCFIWIBFSA-N -1 2 358.217 2.388 20 0 FEADLM Cc1ccc(C(=O)Nc2ccc3c(c2)C[N@@H+](CC(N)=O)CC3)c(O)c1C ZINC000447668697 560166300 /nfs/dbraw/zinc/16/63/00/560166300.db2.gz HMWGSHCNKWWEBW-UHFFFAOYSA-N -1 2 353.422 2.105 20 0 FEADLM Cc1cnn(C[C@H]2C[N@@H+](Cc3cc(=O)[nH]c(-c4ccccc4)n3)CCO2)c1 ZINC000459340133 560681045 /nfs/dbraw/zinc/68/10/45/560681045.db2.gz DRENKDGJAJIXLC-GOSISDBHSA-N -1 2 365.437 2.255 20 0 FEADLM Cc1c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2nn1C ZINC000461340780 560767205 /nfs/dbraw/zinc/76/72/05/560767205.db2.gz ISJQTLSJAWQRMQ-UHFFFAOYSA-N -1 2 351.409 2.442 20 0 FEADLM COC(=O)c1c(F)cccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000467760277 560916554 /nfs/dbraw/zinc/91/65/54/560916554.db2.gz XLWHEJCTDYCTDD-UHFFFAOYSA-N -1 2 357.315 2.013 20 0 FEADLM COC(=O)c1csc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000476763416 561127861 /nfs/dbraw/zinc/12/78/61/561127861.db2.gz DUSRSUAIUMZEGY-UHFFFAOYSA-N -1 2 355.393 2.342 20 0 FEADLM COCCn1nc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])sc2C)c1C ZINC000531191523 562437585 /nfs/dbraw/zinc/43/75/85/562437585.db2.gz SSQCLMABXPNTFE-UHFFFAOYSA-N -1 2 373.456 2.015 20 0 FEADLM O=C([O-])Cc1ccccc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000819626263 597313540 /nfs/dbraw/zinc/31/35/40/597313540.db2.gz NGNSQMYRCHEPCJ-UHFFFAOYSA-N -1 2 357.391 2.300 20 0 FEADLM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccccc1CC(=O)[O-] ZINC000393001051 597314462 /nfs/dbraw/zinc/31/44/62/597314462.db2.gz SUQDPUBTOUDDPQ-UHFFFAOYSA-N -1 2 366.351 2.031 20 0 FEADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)OC3)c1 ZINC000808126231 674443052 /nfs/dbraw/zinc/44/30/52/674443052.db2.gz WRJXMYSNSGIEDN-UHFFFAOYSA-N -1 2 365.338 2.304 20 0 FEADLM CCOC(=O)c1csc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2C)n1 ZINC000737154609 600051924 /nfs/dbraw/zinc/05/19/24/600051924.db2.gz FMMGXGZZQGOZEM-UHFFFAOYSA-N -1 2 370.408 2.127 20 0 FEADLM COCc1csc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)n1 ZINC000737836832 600203953 /nfs/dbraw/zinc/20/39/53/600203953.db2.gz WVTCVNWPBRRTCY-UHFFFAOYSA-N -1 2 364.351 2.067 20 0 FEADLM Cn1nc(CC(C)(C)C)cc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000739049892 600244276 /nfs/dbraw/zinc/24/42/76/600244276.db2.gz IQNXSCPMECBFIJ-UHFFFAOYSA-N -1 2 365.455 2.437 20 0 FEADLM Cc1oc(C)c(S(=O)(=O)Nc2ccc(-c3nc[nH]n3)cc2)c1C(=O)[O-] ZINC000738969617 600391721 /nfs/dbraw/zinc/39/17/21/600391721.db2.gz MXCZCVFLFFJBEW-UHFFFAOYSA-N -1 2 362.367 2.181 20 0 FEADLM CCCOc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1Cl ZINC000391860216 600676170 /nfs/dbraw/zinc/67/61/70/600676170.db2.gz OZQLOAAEBPMSBF-UHFFFAOYSA-N -1 2 373.818 2.211 20 0 FEADLM O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000833317865 600691237 /nfs/dbraw/zinc/69/12/37/600691237.db2.gz MGXBESMXCRAUBD-UHFFFAOYSA-N -1 2 355.803 2.446 20 0 FEADLM COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1C(=O)[O-] ZINC000325559809 600983807 /nfs/dbraw/zinc/98/38/07/600983807.db2.gz GONXREKIKQBSBE-UHFFFAOYSA-N -1 2 353.400 2.215 20 0 FEADLM O=C([O-])c1ccc(CNC(=O)C2=NN(c3ccc(F)cc3)CC2=O)cc1 ZINC000833314621 601387623 /nfs/dbraw/zinc/38/76/23/601387623.db2.gz OHYZDCOETPFFRL-UHFFFAOYSA-N -1 2 355.325 2.345 20 0 FEADLM COCCCOc1cccc(NS(=O)(=O)c2csnc2C(=O)[O-])c1 ZINC000831705605 601486395 /nfs/dbraw/zinc/48/63/95/601486395.db2.gz VRVDLKWZAVZYHJ-UHFFFAOYSA-N -1 2 372.424 2.057 20 0 FEADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(OCC(F)F)cc1 ZINC000833346985 601486790 /nfs/dbraw/zinc/48/67/90/601486790.db2.gz YTDAFSOMHCFJBI-UHFFFAOYSA-N -1 2 364.351 2.286 20 0 FEADLM CC(C)n1cc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cn1 ZINC000827186298 601771023 /nfs/dbraw/zinc/77/10/23/601771023.db2.gz GKMYISKESQKFNB-UHFFFAOYSA-N -1 2 358.445 2.129 20 0 FEADLM CCCCc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)[nH]n1 ZINC000829431044 602102907 /nfs/dbraw/zinc/10/29/07/602102907.db2.gz SGBDDZCZLSLJHJ-UHFFFAOYSA-N -1 2 353.400 2.017 20 0 FEADLM O=C([O-])c1csc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1 ZINC000833344042 602117158 /nfs/dbraw/zinc/11/71/58/602117158.db2.gz YBMAZZOIIJWQJP-UHFFFAOYSA-N -1 2 366.420 2.374 20 0 FEADLM CCN(Cc1ccccc1NS(=O)(=O)c1cnn(CC)c1)C(=O)[O-] ZINC000739443233 602653996 /nfs/dbraw/zinc/65/39/96/602653996.db2.gz CVFNOVKAZNIIOC-UHFFFAOYSA-N -1 2 352.416 2.204 20 0 FEADLM O=C([O-])NCCOc1cccc(NS(=O)(=O)c2cccc(F)c2F)c1 ZINC000740669343 603054440 /nfs/dbraw/zinc/05/44/40/603054440.db2.gz WZPFXACZTGRMPC-UHFFFAOYSA-N -1 2 372.349 2.412 20 0 FEADLM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000832846572 604272840 /nfs/dbraw/zinc/27/28/40/604272840.db2.gz WIFFQZZZPJUKPC-UHFFFAOYSA-N -1 2 360.395 2.312 20 0 FEADLM O=C([O-])c1cncc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000325062457 604889641 /nfs/dbraw/zinc/88/96/41/604889641.db2.gz XSLZTOFMARNCLK-UHFFFAOYSA-N -1 2 362.285 2.479 20 0 FEADLM CC(C)(C)c1nc(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)no1 ZINC000833450407 605584723 /nfs/dbraw/zinc/58/47/23/605584723.db2.gz AFOBOEVOFMQONX-UHFFFAOYSA-N -1 2 369.399 2.021 20 0 FEADLM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)c1 ZINC000564558537 675036685 /nfs/dbraw/zinc/03/66/85/675036685.db2.gz NAAVULIQXWLANM-UHFFFAOYSA-N -1 2 352.299 2.172 20 0 FEADLM C[S@](=O)Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000547246735 673837587 /nfs/dbraw/zinc/83/75/87/673837587.db2.gz LYWXGSQZLSXWEO-QHCPKHFHSA-N -1 2 371.411 2.203 20 0 FEADLM CCC[C@H](C(=O)OCC)S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000821172865 675419887 /nfs/dbraw/zinc/41/98/87/675419887.db2.gz GVRYFJRRMSYELU-GFCCVEGCSA-N -1 2 365.354 2.137 20 0 FEADLM Cc1cn(C)nc1NS(=O)(=O)c1c(C)cc(C)c(CC(=O)[O-])c1C ZINC000663264000 678710913 /nfs/dbraw/zinc/71/09/13/678710913.db2.gz GWXDMVAORIOABB-UHFFFAOYSA-N -1 2 351.428 2.082 20 0 FEADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2ccc(Br)nc2)c1 ZINC000765140726 680832514 /nfs/dbraw/zinc/83/25/14/680832514.db2.gz AWWSRVYUQAXPGI-UHFFFAOYSA-N -1 2 373.184 2.049 20 0 FEADLM COC[C@H](C)n1ccc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2C)n1 ZINC000793411075 682887670 /nfs/dbraw/zinc/88/76/70/682887670.db2.gz XVOSDMGMLZIEJC-JTQLQIEISA-N -1 2 371.390 2.037 20 0 FEADLM COC(=O)c1ccc(NS(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1 ZINC000045774407 540226434 /nfs/dbraw/zinc/22/64/34/540226434.db2.gz LDIAXJOBVLLMLD-UHFFFAOYSA-N -1 2 355.393 2.342 20 0 FEADLM COCCCn1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000265311932 329113254 /nfs/dbraw/zinc/11/32/54/329113254.db2.gz XZBVNCODRUEWMB-UHFFFAOYSA-N -1 2 373.818 2.072 20 0 FEADLM Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000270651495 329618592 /nfs/dbraw/zinc/61/85/92/329618592.db2.gz QNLUBEMGEHUMBK-UHFFFAOYSA-N -1 2 357.819 2.498 20 0 FEADLM COc1cc(/C=C/C(=O)[O-])ccc1NS(=O)(=O)c1cnn(C(C)C)c1 ZINC000276095058 330118712 /nfs/dbraw/zinc/11/87/12/330118712.db2.gz RCKCLECKXTWDJV-FNORWQNLSA-N -1 2 365.411 2.371 20 0 FEADLM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OC ZINC000478693971 561172860 /nfs/dbraw/zinc/17/28/60/561172860.db2.gz FCUQIXVWEUBCCN-UHFFFAOYSA-N -1 2 371.392 2.042 20 0 FEADLM Cc1ccc(S(=O)(=O)Nc2ccn(C(C)C)n2)c(C)c1OCC(=O)[O-] ZINC000479263236 561186128 /nfs/dbraw/zinc/18/61/28/561186128.db2.gz ZTEMVJMXLOKNIS-UHFFFAOYSA-N -1 2 367.427 2.345 20 0 FEADLM COc1ccc(Cl)c(C(=O)[O-])c1NS(=O)(=O)c1c(C)nn(C)c1C ZINC000479526804 561191231 /nfs/dbraw/zinc/19/12/31/561191231.db2.gz XITVJLZTNXGQQC-UHFFFAOYSA-N -1 2 373.818 2.198 20 0 FEADLM COC(=O)c1nscc1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000481590255 561236854 /nfs/dbraw/zinc/23/68/54/561236854.db2.gz BLWQYBROZZERID-UHFFFAOYSA-N -1 2 370.408 2.046 20 0 FEADLM O=C([O-])c1cc(NS(=O)(=O)c2cccc(F)c2F)cc2c1OCCO2 ZINC000484976793 561309791 /nfs/dbraw/zinc/30/97/91/561309791.db2.gz NODJMBHVURCNHM-UHFFFAOYSA-N -1 2 371.317 2.235 20 0 FEADLM CC[C@H](Cc1ccc(NS(=O)(=O)c2cn(C)nc2C)cc1)C(=O)[O-] ZINC000489312914 561407898 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COc1cc(F)c(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1OC ZINC000323923066 553770568 /nfs/dbraw/zinc/77/05/68/553770568.db2.gz VZSJTZIRTXPJKB-UHFFFAOYSA-N -1 2 355.343 2.342 20 0 FEADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc([S@@](C)=O)c2)c1 ZINC000512763134 561914693 /nfs/dbraw/zinc/91/46/93/561914693.db2.gz YVFIWKYHYAXDMJ-HSZRJFAPSA-N -1 2 371.411 2.371 20 0 FEADLM COc1ncc(C)cc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000512726052 561913415 /nfs/dbraw/zinc/91/34/15/561913415.db2.gz SVLCUAOMGKVMLL-UHFFFAOYSA-N -1 2 354.359 2.345 20 0 FEADLM Cc1cc(NS(=O)(=O)c2cnn(CC(F)F)c2)c(C(=O)[O-])cc1C ZINC000521650972 562181300 /nfs/dbraw/zinc/18/13/00/562181300.db2.gz LUNJDVPPIFCRGU-UHFFFAOYSA-N -1 2 359.354 2.264 20 0 FEADLM COC(=O)c1ccc(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)c(F)c1 ZINC000526005023 562263282 /nfs/dbraw/zinc/26/32/82/562263282.db2.gz QCRKXNQSXSBKMP-UHFFFAOYSA-N -1 2 367.354 2.040 20 0 FEADLM O=C([O-])[C@@H]1CCN(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)C1 ZINC000417795495 559376822 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VVCOGSKTIPPZMP-UHFFFAOYSA-N -1 2 371.317 2.250 20 0 FEADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cnn(Cc2ccccn2)c1 ZINC000675628662 599907933 /nfs/dbraw/zinc/90/79/33/599907933.db2.gz JJOAPWQBRDTURD-UHFFFAOYSA-N -1 2 372.406 2.134 20 0 FEADLM Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000738823245 599926752 /nfs/dbraw/zinc/92/67/52/599926752.db2.gz IGDUEQCGWLSKCB-UHFFFAOYSA-N -1 2 355.441 2.145 20 0 FEADLM Cc1cc([N+](=O)[O-])c(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1C ZINC000323821297 600053001 /nfs/dbraw/zinc/05/30/01/600053001.db2.gz DVWSERDPBAATAP-UHFFFAOYSA-N -1 2 371.396 2.096 20 0 FEADLM Cc1cccc(S(=O)(=O)Nc2ccnn2Cc2ccccn2)c1C(=O)[O-] ZINC000738747325 600099893 /nfs/dbraw/zinc/09/98/93/600099893.db2.gz SWPRKKIDIUMTNH-UHFFFAOYSA-N -1 2 372.406 2.134 20 0 FEADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(CNC(=O)[O-])cc2)c1C ZINC000737312534 600894452 /nfs/dbraw/zinc/89/44/52/600894452.db2.gz SNKNOKXGSPSACJ-UHFFFAOYSA-N -1 2 352.416 2.088 20 0 FEADLM O=C([O-])c1cc(S(=O)(=O)Nc2c3c(nn2-c2ccccc2)CCC3)c[nH]1 ZINC000833304021 600977394 /nfs/dbraw/zinc/97/73/94/600977394.db2.gz KOZMFSJXTNZTGF-UHFFFAOYSA-N -1 2 372.406 2.188 20 0 FEADLM Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CN(C(=O)[O-])CC3)s1 ZINC000740151216 601977295 /nfs/dbraw/zinc/97/72/95/601977295.db2.gz WKTFJUUGZAFYDJ-UHFFFAOYSA-N -1 2 359.454 2.350 20 0 FEADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1nnc(C(F)(F)F)s1 ZINC000832853353 604402780 /nfs/dbraw/zinc/40/27/80/604402780.db2.gz XEMHRMJXSWBAQV-UHFFFAOYSA-N -1 2 367.330 2.364 20 0 FEADLM Cc1c(S(=O)(=O)Nc2ccccc2NC(=O)[O-])cnn1-c1ccccn1 ZINC000829889608 604644378 /nfs/dbraw/zinc/64/43/78/604644378.db2.gz RTMAWKXHNAECEP-UHFFFAOYSA-N -1 2 373.394 2.466 20 0 FEADLM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)n(C2CCOCC2)n1 ZINC000832899813 604798257 /nfs/dbraw/zinc/79/82/57/604798257.db2.gz REQYPKVMAHMKKC-UHFFFAOYSA-N -1 2 365.411 2.042 20 0 FEADLM CCc1nc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)no1 ZINC000833675836 605305739 /nfs/dbraw/zinc/30/57/39/605305739.db2.gz UHZSWNNOECAVQE-UHFFFAOYSA-N -1 2 366.182 2.438 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)cc(C(=O)[O-])c1F ZINC000134043679 672118604 /nfs/dbraw/zinc/11/86/04/672118604.db2.gz CWRAUIRNAFAEDV-UHFFFAOYSA-N -1 2 363.317 2.095 20 0 FEADLM O=C([O-])Cc1ccc(NS(=O)(=O)c2c(Cl)nc3ccccn32)cc1 ZINC000194121557 672748408 /nfs/dbraw/zinc/74/84/08/672748408.db2.gz CJBXJNIFXAGDAY-UHFFFAOYSA-N -1 2 365.798 2.416 20 0 FEADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(OC)c1 ZINC000683926239 672885437 /nfs/dbraw/zinc/88/54/37/672885437.db2.gz OILBCXFHRLNLDC-UHFFFAOYSA-N -1 2 367.427 2.053 20 0 FEADLM CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)c1 ZINC000328040233 673062836 /nfs/dbraw/zinc/06/28/36/673062836.db2.gz ICZMKBLIRHGDTJ-UHFFFAOYSA-N -1 2 370.333 2.422 20 0 FEADLM CCOC(=O)c1ncc([N-]S(=O)(=O)c2cc(C)c(F)cc2Cl)[nH]1 ZINC000618907029 676356261 /nfs/dbraw/zinc/35/62/61/676356261.db2.gz IKWSYDKIDZNHOY-UHFFFAOYSA-N -1 2 361.782 2.488 20 0 FEADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c1F ZINC000749144773 680022844 /nfs/dbraw/zinc/02/28/44/680022844.db2.gz XRKMGAXYMADROF-UHFFFAOYSA-N -1 2 366.326 2.480 20 0 FEADLM CC(C)Cc1ncc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1 ZINC000794595200 682982455 /nfs/dbraw/zinc/98/24/55/682982455.db2.gz UQBCQUFGVZVDOW-UHFFFAOYSA-N -1 2 371.365 2.452 20 0 FEADLM CCOC(=O)c1nnc([C@@H](C)[NH2+]Cc2cnc(CC(F)(F)F)s2)[n-]1 ZINC000895331404 689697891 /nfs/dbraw/zinc/69/78/91/689697891.db2.gz WFSSAFZRXKRCMS-SSDOTTSWSA-N -1 2 363.365 2.394 20 0 FEADLM Cc1cccc(C)c1C[C@H](NS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-] ZINC000906003295 691210975 /nfs/dbraw/zinc/21/09/75/691210975.db2.gz CYODMEJYDGRHOT-JQWIXIFHSA-N -1 2 353.362 2.169 20 0 FEADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1OC ZINC000057119540 540769460 /nfs/dbraw/zinc/76/94/60/540769460.db2.gz SYZZGZKSWSHSAI-UHFFFAOYSA-N -1 2 365.407 2.440 20 0 FEADLM C[C@H](NC(=O)c1c[nH]c2c(cnn2C)c1=O)c1noc(-c2ccccc2)n1 ZINC000119352155 326152689 /nfs/dbraw/zinc/15/26/89/326152689.db2.gz FSUGZCYNRCPLPJ-JTQLQIEISA-N -1 2 364.365 2.215 20 0 FEADLM Cc1c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cnn1-c1ccccc1 ZINC000152606999 326711778 /nfs/dbraw/zinc/71/17/78/326711778.db2.gz QPVYZIGBUGCXBW-UHFFFAOYSA-N -1 2 360.395 2.018 20 0 FEADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1C ZINC000265239477 329106005 /nfs/dbraw/zinc/10/60/05/329106005.db2.gz GBHIVFUYWBOGRG-UHFFFAOYSA-N -1 2 359.354 2.264 20 0 FEADLM C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1nc(-c2c(F)cccc2F)n[nH]1 ZINC000267119316 329293800 /nfs/dbraw/zinc/29/38/00/329293800.db2.gz CZNKACKECYKYRY-NXEZZACHSA-N -1 2 352.341 2.273 20 0 FEADLM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2F)cc2c1OCCO2 ZINC000484968414 561309523 /nfs/dbraw/zinc/30/95/23/561309523.db2.gz HIOKTRDJLDLTBV-UHFFFAOYSA-N -1 2 353.327 2.096 20 0 FEADLM CCn1cc(NS(=O)(=O)c2cc(OC)c(C(=O)[O-])cc2Cl)cn1 ZINC000485260102 561315812 /nfs/dbraw/zinc/31/58/12/561315812.db2.gz COPNLUZJXOUSCQ-UHFFFAOYSA-N -1 2 359.791 2.064 20 0 FEADLM COc1ccccc1[C@@H](NC(=O)c1cccc2[nH]nnc21)c1noc(C)n1 ZINC000187974302 548267772 /nfs/dbraw/zinc/26/77/72/548267772.db2.gz JFTGFMDDUQBGAT-MRXNPFEDSA-N -1 2 364.365 2.177 20 0 FEADLM COc1ccc([C@H](NC(=O)c2cccc3n[nH]nc32)c2[nH+]ccn2C)cc1 ZINC000189688897 548307667 /nfs/dbraw/zinc/30/76/67/548307667.db2.gz IGMHGGWELUARGF-INIZCTEOSA-N -1 2 362.393 2.219 20 0 FEADLM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000248533070 549453617 /nfs/dbraw/zinc/45/36/17/549453617.db2.gz IGHUWRPPTCYYGD-SNPRPXQTSA-N -1 2 355.394 2.436 20 0 FEADLM O=C([O-])c1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c(Cl)c1 ZINC000489737585 561417940 /nfs/dbraw/zinc/41/79/40/561417940.db2.gz AYGGDFKDECCFAX-UHFFFAOYSA-N -1 2 365.745 2.301 20 0 FEADLM COc1cc(Cl)c(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1C(=O)[O-] ZINC000276788221 550596194 /nfs/dbraw/zinc/59/61/94/550596194.db2.gz CNKLDDCTTXOGDZ-UHFFFAOYSA-N -1 2 373.818 2.198 20 0 FEADLM COCCCO[N-]C(=O)C1=NN(c2ccccc2C(F)(F)F)CC1=O ZINC000287726002 552038740 /nfs/dbraw/zinc/03/87/40/552038740.db2.gz HBKXNBHYOYWFFB-UHFFFAOYSA-N -1 2 359.304 2.295 20 0 FEADLM Cc1nn(C)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1OC(C)C ZINC000288237200 552116614 /nfs/dbraw/zinc/11/66/14/552116614.db2.gz NZXOHDFSUPUUAD-UHFFFAOYSA-N -1 2 353.400 2.015 20 0 FEADLM CS(=O)(=O)NCC1CC[NH+](Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000291601606 552642051 /nfs/dbraw/zinc/64/20/51/552642051.db2.gz QMXBDAFTURIKQO-UHFFFAOYSA-N -1 2 366.405 2.172 20 0 FEADLM CC(C)(O)CO[N-]C(=O)C1=NN(c2ccccc2C(F)(F)F)CC1=O ZINC000295026691 552952371 /nfs/dbraw/zinc/95/23/71/552952371.db2.gz XCGQUNJECAJGFY-UHFFFAOYSA-N -1 2 359.304 2.029 20 0 FEADLM Cn1cc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1C(=O)[O-] ZINC000323991903 553770313 /nfs/dbraw/zinc/77/03/13/553770313.db2.gz CLZFPNAHELXFDX-UHFFFAOYSA-N -1 2 364.301 2.423 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3)sc1C(=O)[O-] ZINC000324896507 553773985 /nfs/dbraw/zinc/77/39/85/553773985.db2.gz PABYHIJTPNGNBL-UHFFFAOYSA-N -1 2 366.420 2.440 20 0 FEADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc2c(cc1C(=O)[O-])CCCC2 ZINC000328828513 553829097 /nfs/dbraw/zinc/82/90/97/553829097.db2.gz UFZUAVHACIFSML-UHFFFAOYSA-N -1 2 363.439 2.415 20 0 FEADLM O=C(c1cc(F)c(F)c(O)c1F)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000368316257 556276155 /nfs/dbraw/zinc/27/61/55/556276155.db2.gz OQBVQYMMBMHRFU-UHFFFAOYSA-N -1 2 358.360 2.136 20 0 FEADLM C[C@@H]1OCC[C@@H]1S(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000516476680 562044225 /nfs/dbraw/zinc/04/42/25/562044225.db2.gz WIVLKKWUXKOJDY-CPCISQLKSA-N -1 2 369.317 2.203 20 0 FEADLM O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc3c2OCC[C@@H]3O)c1 ZINC000372465951 557477974 /nfs/dbraw/zinc/47/79/74/557477974.db2.gz SQAFNQUPUAAQBX-ZDUSSCGKSA-N -1 2 367.354 2.141 20 0 FEADLM COC(=O)Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2C)s1 ZINC000521223265 562172185 /nfs/dbraw/zinc/17/21/85/562172185.db2.gz LYHQVVOFZRKHAW-UHFFFAOYSA-N -1 2 369.420 2.271 20 0 FEADLM COC(=O)c1csc(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])c1 ZINC000523958975 562222392 /nfs/dbraw/zinc/22/23/92/562222392.db2.gz MZJVYDNHRBUJPD-UHFFFAOYSA-N -1 2 355.393 2.342 20 0 FEADLM C[C@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[N@H+]1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000408011591 558637954 /nfs/dbraw/zinc/63/79/54/558637954.db2.gz YLGGLAKJEAKSEQ-JLZSUIFSSA-N -1 2 374.485 2.428 20 0 FEADLM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C(=O)N(C)C ZINC000525368587 562246839 /nfs/dbraw/zinc/24/68/39/562246839.db2.gz DEJOZAZIUOOGDE-UHFFFAOYSA-N -1 2 368.436 2.257 20 0 FEADLM COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1csc(C(=O)[O-])c1 ZINC000435141250 559917105 /nfs/dbraw/zinc/91/71/05/559917105.db2.gz YLCIBFHPVJLYAI-UHFFFAOYSA-N -1 2 370.408 2.214 20 0 FEADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1 ZINC000436726150 559950173 /nfs/dbraw/zinc/95/01/73/559950173.db2.gz WNUYHNHERHBCDG-JTQLQIEISA-N -1 2 365.411 2.367 20 0 FEADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c1 ZINC000436868305 559954892 /nfs/dbraw/zinc/95/48/92/559954892.db2.gz HAQCSJCBFYECEE-UHFFFAOYSA-N -1 2 361.734 2.389 20 0 FEADLM CCc1ccc(O)c(NS(=O)(=O)c2cc(CC(=O)[O-])ccc2OC)c1 ZINC000470463172 560982762 /nfs/dbraw/zinc/98/27/62/560982762.db2.gz HAUFRDKDJLTLHT-UHFFFAOYSA-N -1 2 365.407 2.391 20 0 FEADLM CC1(c2nc(=NC(=O)c3nn(-c4ccccc4F)cc3[O-])s[nH]2)CC1 ZINC000529698842 562381383 /nfs/dbraw/zinc/38/13/83/562381383.db2.gz OZDYWUAJHLJPJX-UHFFFAOYSA-N -1 2 359.386 2.294 20 0 FEADLM COC(=O)c1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c(F)c1 ZINC000530284142 562405316 /nfs/dbraw/zinc/40/53/16/562405316.db2.gz IUMQDUIDJRVWAV-UHFFFAOYSA-N -1 2 371.317 2.250 20 0 FEADLM COC(=O)c1cc(F)ccc1S(=O)(=O)[N-]c1ccc2nccnc2c1 ZINC000535402037 562557706 /nfs/dbraw/zinc/55/77/06/562557706.db2.gz HRHRIRBIKBPPJF-UHFFFAOYSA-N -1 2 361.354 2.356 20 0 FEADLM CCn1cc(S(=O)(=O)Nc2cc(C)n([C@@H](C)C3CC3)n2)cc1C(=O)[O-] ZINC000541303192 562608338 /nfs/dbraw/zinc/60/83/38/562608338.db2.gz SACQKXJYSAINOA-NSHDSACASA-N -1 2 366.443 2.483 20 0 FEADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cccc3c2COC3=O)c1F ZINC000808126827 674442979 /nfs/dbraw/zinc/44/29/79/674442979.db2.gz ITCBEKRLOSGVBP-UHFFFAOYSA-N -1 2 365.338 2.304 20 0 FEADLM COC(=O)c1c(F)cccc1NS(=O)(=O)c1cc(F)ccc1C(=O)[O-] ZINC000737652427 599851000 /nfs/dbraw/zinc/85/10/00/599851000.db2.gz XEMDEXMUZAJBEQ-UHFFFAOYSA-N -1 2 371.317 2.250 20 0 FEADLM COC(=O)c1ccc(C(=O)[O-])c(S(=O)(=O)Nc2nc(C)c(C)s2)c1 ZINC000737684759 599874230 /nfs/dbraw/zinc/87/42/30/599874230.db2.gz XOOVXWXWBCAHOA-UHFFFAOYSA-N -1 2 370.408 2.046 20 0 FEADLM O=C([O-])c1ccncc1NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000321730700 600514123 /nfs/dbraw/zinc/51/41/23/600514123.db2.gz ITDQFJXYXLBZST-UHFFFAOYSA-N -1 2 357.731 2.142 20 0 FEADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C)c2)n(-c2ccccn2)n1 ZINC000832899593 600974862 /nfs/dbraw/zinc/97/48/62/600974862.db2.gz OIBODEUUKVQSMT-UHFFFAOYSA-N -1 2 372.406 2.383 20 0 FEADLM CCOc1cc(NS(=O)(=O)c2csnc2C(=O)[O-])ccc1OC ZINC000830049757 601835814 /nfs/dbraw/zinc/83/58/14/601835814.db2.gz PEHUCPSBFLHKBG-UHFFFAOYSA-N -1 2 358.397 2.049 20 0 FEADLM O=C([O-])c1cc(S(=O)(=O)Nc2nnc(-c3ccco3)s2)cs1 ZINC000833306495 602102377 /nfs/dbraw/zinc/10/23/77/602102377.db2.gz YPOMWFCCSMRUTQ-UHFFFAOYSA-N -1 2 357.394 2.359 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)ccc1F ZINC000832904601 602105008 /nfs/dbraw/zinc/10/50/08/602105008.db2.gz UVGTUGHDVSSOQT-UHFFFAOYSA-N -1 2 359.404 2.194 20 0 FEADLM O=C([O-])CCCc1nnc(NS(=O)(=O)c2cccc(Cl)c2)s1 ZINC000833231802 602105863 /nfs/dbraw/zinc/10/58/63/602105863.db2.gz AUHLNDQMMZGSQQ-UHFFFAOYSA-N -1 2 361.832 2.400 20 0 FEADLM CCCOC(=O)c1ccc(S(=O)(=O)Nc2csnc2C(=O)[O-])cc1 ZINC000829523104 602154882 /nfs/dbraw/zinc/15/48/82/602154882.db2.gz RFLNLJKCTQTQCM-UHFFFAOYSA-N -1 2 370.408 2.209 20 0 FEADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C2CCOCC2)n[nH]1 ZINC000832919464 602307973 /nfs/dbraw/zinc/30/79/73/602307973.db2.gz LUSQDKDWLVFGJM-UHFFFAOYSA-N -1 2 365.411 2.111 20 0 FEADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)ccc1Cl ZINC000761899549 602318855 /nfs/dbraw/zinc/31/88/55/602318855.db2.gz FDLASHZBHNMVTE-UHFFFAOYSA-N -1 2 352.759 2.110 20 0 FEADLM O=C([O-])N1CCc2nc(NC(=O)c3cc(F)c(O)c(F)c3)sc2C1 ZINC000831810900 603745084 /nfs/dbraw/zinc/74/50/84/603745084.db2.gz UEKGMGNWOOSAFN-UHFFFAOYSA-N -1 2 355.322 2.415 20 0 FEADLM COC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])s2)c1C ZINC000833716663 605022582 /nfs/dbraw/zinc/02/25/82/605022582.db2.gz PQEANZVBBRKKNH-UHFFFAOYSA-N -1 2 355.393 2.342 20 0 FEADLM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NS(=O)(=O)CC(F)(F)F ZINC000571080063 670813194 /nfs/dbraw/zinc/81/31/94/670813194.db2.gz MINPYHYATRTVBN-AAEUAGOBSA-N -1 2 365.373 2.432 20 0 FEADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(Br)nc1 ZINC000222060112 672791720 /nfs/dbraw/zinc/79/17/20/672791720.db2.gz HBSPZTBHBDHBRZ-UHFFFAOYSA-N -1 2 361.173 2.245 20 0 FEADLM Cc1ccc(C[C@H](CNS(=O)(=O)[C@H](C)C(F)(F)F)C(=O)[O-])cc1 ZINC000274929739 672955381 /nfs/dbraw/zinc/95/53/81/672955381.db2.gz CQHIBMJVLXWHDW-ZYHUDNBSSA-N -1 2 353.362 2.109 20 0 FEADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cc(C)cnc1N ZINC000539112778 673474456 /nfs/dbraw/zinc/47/44/56/673474456.db2.gz ZXBPSLWUBKQZNA-UHFFFAOYSA-N -1 2 369.374 2.009 20 0 FEADLM Cn1ncc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1C(=O)[O-] ZINC000539842310 673509375 /nfs/dbraw/zinc/50/93/75/673509375.db2.gz ODBSMNPCGFXJPV-UHFFFAOYSA-N -1 2 367.280 2.077 20 0 FEADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)Cc1noc2ccccc12 ZINC000548526001 673965385 /nfs/dbraw/zinc/96/53/85/673965385.db2.gz OFVBIEYNXSOLKJ-UHFFFAOYSA-N -1 2 362.363 2.477 20 0 FEADLM COC(=O)c1sccc1NS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000763277745 680778206 /nfs/dbraw/zinc/77/82/06/680778206.db2.gz BVAGCJUKAGHHGO-UHFFFAOYSA-N -1 2 373.383 2.481 20 0 FEADLM Cc1cc(C(N)=O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000749140989 680022734 /nfs/dbraw/zinc/02/27/34/680022734.db2.gz GYKJTVBELCBOGH-UHFFFAOYSA-N -1 2 366.370 2.040 20 0 FEADLM CC(C)[C@@H](CO)ONC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000836225142 680437595 /nfs/dbraw/zinc/43/75/95/680437595.db2.gz QWSIFSQTXSEPSG-GXTWGEPZSA-N -1 2 356.492 2.445 20 0 FEADLM O=C([O-])c1cc2c(cc1NS(=O)(=O)c1cccnc1Cl)OCCO2 ZINC000861680148 683454767 /nfs/dbraw/zinc/45/47/67/683454767.db2.gz RTQOUTWCHGQFED-UHFFFAOYSA-N -1 2 370.770 2.005 20 0 FEADLM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000035455486 539982144 /nfs/dbraw/zinc/98/21/44/539982144.db2.gz ZTCDLOWYUBIOKA-UHFFFAOYSA-N -1 2 352.324 2.102 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2cccc(NC(N)=O)c2)sc1C(=O)[O-] ZINC000042795095 540079005 /nfs/dbraw/zinc/07/90/05/540079005.db2.gz UXAJLXCATBGAHQ-UHFFFAOYSA-N -1 2 355.397 2.046 20 0 FEADLM CCc1nn(C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc2c1CCCC2 ZINC000091021500 542790698 /nfs/dbraw/zinc/79/06/98/542790698.db2.gz SNRDRPJLEQHGJF-UHFFFAOYSA-N -1 2 363.439 2.360 20 0 FEADLM Cn1cc(S(=O)(=O)Nc2ccccc2OCC2CC2)cc1C(=O)[O-] ZINC000265890919 329170157 /nfs/dbraw/zinc/17/01/57/329170157.db2.gz NXPWQHNHVFGMKZ-UHFFFAOYSA-N -1 2 350.396 2.313 20 0 FEADLM O=C([O-])c1ccc(OC(F)(F)F)c(NS(=O)(=O)[C@H]2CCCOC2)c1 ZINC000275057721 330006249 /nfs/dbraw/zinc/00/62/49/330006249.db2.gz UECRYSBCJOOYRA-VIFPVBQESA-N -1 2 369.317 2.204 20 0 FEADLM CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)c1C ZINC000480219064 561205200 /nfs/dbraw/zinc/20/52/00/561205200.db2.gz PIAMQUSHQMSKJP-SECBINFHSA-N -1 2 353.400 2.367 20 0 FEADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)C[C@@H]1CCCCO1 ZINC000484981882 561309808 /nfs/dbraw/zinc/30/98/08/561309808.db2.gz VADVOOHNPJBFSS-JTQLQIEISA-N -1 2 361.391 2.233 20 0 FEADLM Cn1ncc(Cl)c1S(=O)(=O)Nc1ccc2c(c1)[nH]cc2C(=O)[O-] ZINC000485393583 561318178 /nfs/dbraw/zinc/31/81/78/561318178.db2.gz OQWVFLSDGDJFTJ-UHFFFAOYSA-N -1 2 354.775 2.054 20 0 FEADLM Cc1ccc(-c2csc(C[N@@H+]3CCC[C@]4(C3)NC(=O)NC4=O)n2)cc1 ZINC000285377929 551746141 /nfs/dbraw/zinc/74/61/41/551746141.db2.gz RTKPCQHDSSPWQQ-GOSISDBHSA-N -1 2 356.451 2.293 20 0 FEADLM COc1cc(F)c(S(=O)(=O)N[C@@H](c2[nH]cc[nH+]2)C(C)C)cc1OC ZINC000288825568 552219709 /nfs/dbraw/zinc/21/97/09/552219709.db2.gz BUVUOEUPGZGGGP-CQSZACIVSA-N -1 2 357.407 2.242 20 0 FEADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cn(C)nc1C1CC1 ZINC000291209872 552600881 /nfs/dbraw/zinc/60/08/81/552600881.db2.gz VIOBLYSMDLWPJB-UHFFFAOYSA-N -1 2 353.375 2.244 20 0 FEADLM Cc1c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)cnn1C ZINC000291857188 552669022 /nfs/dbraw/zinc/66/90/22/552669022.db2.gz GFPYPPFDZQQKHI-UHFFFAOYSA-N -1 2 353.400 2.015 20 0 FEADLM C[C@H]1C[NH+](Cc2ccccc2NC(=O)NOC(C)(C)CO)C[C@H](C)O1 ZINC000296741076 553205529 /nfs/dbraw/zinc/20/55/29/553205529.db2.gz VIEAXZUSMUYMAK-KBPBESRZSA-N -1 2 351.447 2.120 20 0 FEADLM Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c(C2CCCCC2)n1 ZINC000296751675 553206848 /nfs/dbraw/zinc/20/68/48/553206848.db2.gz PTPXPGURDAUQAJ-UHFFFAOYSA-N -1 2 366.443 2.305 20 0 FEADLM CCOc1cc(C[N@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc(Cl)c1O ZINC000297302873 553275614 /nfs/dbraw/zinc/27/56/14/553275614.db2.gz BEDGBDXJDYJOPW-CYBMUJFWSA-N -1 2 353.850 2.480 20 0 FEADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000504703060 561661510 /nfs/dbraw/zinc/66/15/10/561661510.db2.gz MCJVXGIWQASKGH-NSHDSACASA-N -1 2 369.468 2.403 20 0 FEADLM COC(=O)c1cc(F)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000319991134 553764250 /nfs/dbraw/zinc/76/42/50/553764250.db2.gz GKKRMXADSKDNLL-UHFFFAOYSA-N -1 2 359.356 2.173 20 0 FEADLM COC(=O)c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000320786975 553765711 /nfs/dbraw/zinc/76/57/11/553765711.db2.gz WDXTXDCKQBODPJ-UHFFFAOYSA-N -1 2 355.393 2.342 20 0 FEADLM O=C([O-])c1csc(S(=O)(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 ZINC000363064123 555022310 /nfs/dbraw/zinc/02/23/10/555022310.db2.gz SRFVTVJMIVDNRI-UHFFFAOYSA-N -1 2 350.381 2.032 20 0 FEADLM Cc1cc(S(=O)(=O)NCCc2cn3c([nH+]2)CCCC3)c(F)cc1F ZINC000363613984 555147447 /nfs/dbraw/zinc/14/74/47/555147447.db2.gz OOAMYRFPNVMMHI-UHFFFAOYSA-N -1 2 355.410 2.327 20 0 FEADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cc(CO)ccc2C)c1 ZINC000512776166 561914838 /nfs/dbraw/zinc/91/48/38/561914838.db2.gz JOCVZUBPFHHXNO-UHFFFAOYSA-N -1 2 353.371 2.434 20 0 FEADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2cccc(NC(N)=O)c2)c1 ZINC000512751672 561914206 /nfs/dbraw/zinc/91/42/06/561914206.db2.gz CMUIICNLHWJGIO-UHFFFAOYSA-N -1 2 367.358 2.124 20 0 FEADLM CSc1nc(NC(=O)C2CC[NH+](Cc3csc(C)n3)CC2)n[nH]1 ZINC000515147908 561998148 /nfs/dbraw/zinc/99/81/48/561998148.db2.gz MEHRRRFTJBHBIS-UHFFFAOYSA-N -1 2 352.489 2.142 20 0 FEADLM Cc1cn(-c2cccnc2)nc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000371687214 557263002 /nfs/dbraw/zinc/26/30/02/557263002.db2.gz XVHCIVVBPUDQCF-UHFFFAOYSA-N -1 2 372.406 2.004 20 0 FEADLM Cc1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Br)cn1 ZINC000384225700 558605130 /nfs/dbraw/zinc/60/51/30/558605130.db2.gz VCWYFXSNWHJTJX-UHFFFAOYSA-N -1 2 372.200 2.047 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2cccc(C[S@](C)=O)c2)sc1C(=O)[O-] ZINC000523727142 562218686 /nfs/dbraw/zinc/21/86/86/562218686.db2.gz DIBTYPIWIVPEOB-QFIPXVFZSA-N -1 2 373.477 2.434 20 0 FEADLM COC(C)(C)CS(=O)(=O)Nc1cc(C(=O)[O-])ccc1OC(F)(F)F ZINC000414381784 559160013 /nfs/dbraw/zinc/16/00/13/559160013.db2.gz MYEWEFPHWPJGOV-UHFFFAOYSA-N -1 2 371.333 2.450 20 0 FEADLM COc1ccc(NS(=O)(=O)c2cn3c(n2)CCC[C@@H]3C)c(C(=O)[O-])c1 ZINC000416408895 559310774 /nfs/dbraw/zinc/31/07/74/559310774.db2.gz SKWOJKIWGHZMDU-JTQLQIEISA-N -1 2 365.411 2.288 20 0 FEADLM CC(C)(C)c1nc(=N[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)s[nH]1 ZINC000416443008 559313013 /nfs/dbraw/zinc/31/30/13/559313013.db2.gz GFYBPNHDGPRXEF-CHWSQXEVSA-N -1 2 374.466 2.096 20 0 FEADLM COc1cccc(S(O)=CC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000424847795 559678444 /nfs/dbraw/zinc/67/84/44/559678444.db2.gz GGQQCHVRDHBXCQ-VOIUYBSRSA-N -1 2 352.500 2.039 20 0 FEADLM CCOc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1OC ZINC000433499114 559883172 /nfs/dbraw/zinc/88/31/72/559883172.db2.gz BPWQEROFZHIQMJ-UHFFFAOYSA-N -1 2 367.379 2.299 20 0 FEADLM Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1C(=O)N(C)C ZINC000433517860 559883394 /nfs/dbraw/zinc/88/33/94/559883394.db2.gz SCMPRPCJUAGRJN-UHFFFAOYSA-N -1 2 368.436 2.257 20 0 FEADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(F)cc1C(=O)[O-] ZINC000442823673 560058342 /nfs/dbraw/zinc/05/83/42/560058342.db2.gz DPJLKEZMDGQDGI-UHFFFAOYSA-N -1 2 373.383 2.481 20 0 FEADLM CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(=O)[nH]c(-c4ccccc4)n3)C2)CC1 ZINC000459355699 560681935 /nfs/dbraw/zinc/68/19/35/560681935.db2.gz UMULEXVZMCKSOY-IBGZPJMESA-N -1 2 367.497 2.061 20 0 FEADLM COc1ccc(C(=O)[O-])cc1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000462107230 560797491 /nfs/dbraw/zinc/79/74/91/560797491.db2.gz YURCMFKWQHDAFL-UHFFFAOYSA-N -1 2 373.390 2.380 20 0 FEADLM CCn1nccc1S(=O)(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000471954335 561014914 /nfs/dbraw/zinc/01/49/14/561014914.db2.gz MMTBTCUUQMETGC-UHFFFAOYSA-N -1 2 374.216 2.165 20 0 FEADLM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000545828265 562630881 /nfs/dbraw/zinc/63/08/81/562630881.db2.gz WXOHUIHEXPYROD-UHFFFAOYSA-N -1 2 367.354 2.040 20 0 FEADLM O=C([O-])Cc1ccccc1NS(=O)(=O)c1cnn(Cc2ccccc2)c1 ZINC000819626434 597313600 /nfs/dbraw/zinc/31/36/00/597313600.db2.gz UFRZYFAAWUKJKR-UHFFFAOYSA-N -1 2 371.418 2.359 20 0 FEADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1 ZINC000737718404 599814879 /nfs/dbraw/zinc/81/48/79/599814879.db2.gz RNKSOPQOFMSFMC-UHFFFAOYSA-N -1 2 359.356 2.173 20 0 FEADLM COc1ccc(S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)cc1Cl ZINC000386944865 600053035 /nfs/dbraw/zinc/05/30/35/600053035.db2.gz QLPOHOBDHPMZSN-UHFFFAOYSA-N -1 2 362.816 2.233 20 0 FEADLM Cc1n[nH]cc1S(=O)(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC000738249525 600234839 /nfs/dbraw/zinc/23/48/39/600234839.db2.gz VRBYLTLMBPSYGJ-UHFFFAOYSA-N -1 2 355.441 2.227 20 0 FEADLM Cc1cc(NS(=O)(=O)c2c(Cl)nc3sccn32)c(C(=O)[O-])[nH]1 ZINC000738461526 600255899 /nfs/dbraw/zinc/25/58/99/600255899.db2.gz GOGJKLVWUOJSEM-UHFFFAOYSA-N -1 2 360.804 2.185 20 0 FEADLM COC(=O)c1ccncc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC000737713062 600514808 /nfs/dbraw/zinc/51/48/08/600514808.db2.gz QURGEKMFHCFIRZ-UHFFFAOYSA-N -1 2 370.770 2.021 20 0 FEADLM CC(=O)NCc1ccc(NS(=O)(=O)c2c(C)oc(C)c2C(=O)[O-])cc1 ZINC000736155510 600565104 /nfs/dbraw/zinc/56/51/04/600565104.db2.gz GRVGMNZDXFYGQW-UHFFFAOYSA-N -1 2 366.395 2.032 20 0 FEADLM Cc1oc(S(=O)(=O)[N-]c2ccc(-n3cc[nH+]c3)c(F)c2)cc1C(=O)[O-] ZINC000833029356 601230735 /nfs/dbraw/zinc/23/07/35/601230735.db2.gz GZCAIROONZOFMQ-UHFFFAOYSA-N -1 2 365.342 2.412 20 0 FEADLM COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccc(C)c(C(=O)[O-])c2)c1 ZINC000743266033 601334256 /nfs/dbraw/zinc/33/42/56/601334256.db2.gz AURGFVSIGVKGGT-UHFFFAOYSA-N -1 2 367.354 2.420 20 0 FEADLM CCn1c(=O)c2ccc(C(=O)N[C@@](C)(CC)CC(=O)[O-])cc2[nH]c1=S ZINC000830412056 601461555 /nfs/dbraw/zinc/46/15/55/601461555.db2.gz KYHGXEFWHYYTPJ-KRWDZBQOSA-N -1 2 363.439 2.078 20 0 FEADLM CCC(CC)c1nnc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)s1 ZINC000828869611 601502060 /nfs/dbraw/zinc/50/20/60/601502060.db2.gz BGBIRYUSTAZXEN-UHFFFAOYSA-N -1 2 358.445 2.279 20 0 FEADLM Cc1nc(-c2cccc(NS(=O)(=O)c3csnc3C(=O)[O-])c2)no1 ZINC000832991186 601837778 /nfs/dbraw/zinc/83/77/78/601837778.db2.gz CHEREJXUFNLHBY-UHFFFAOYSA-N -1 2 366.380 2.001 20 0 FEADLM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(C)c(C(=O)[O-])s1 ZINC000831226459 601856232 /nfs/dbraw/zinc/85/62/32/601856232.db2.gz MIELSLRNZONDIE-UHFFFAOYSA-N -1 2 373.383 2.481 20 0 FEADLM Cc1ccc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)cc1C(=O)[O-] ZINC000833751157 605171857 /nfs/dbraw/zinc/17/18/57/605171857.db2.gz PQIIQSSRBFNIIN-UHFFFAOYSA-N -1 2 358.379 2.075 20 0 FEADLM O=C(Nn1c(=O)[n-][nH]c1=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 ZINC000816731738 675076021 /nfs/dbraw/zinc/07/60/21/675076021.db2.gz CTOYRPZZHVYVLV-UHFFFAOYSA-N -1 2 371.300 2.216 20 0 FEADLM COCC1(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC(F)(F)F)CC1 ZINC000577284698 671585247 /nfs/dbraw/zinc/58/52/47/671585247.db2.gz FWUHLUCXSADGNR-UHFFFAOYSA-N -1 2 369.317 2.204 20 0 FEADLM CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(F)c1 ZINC000324073200 673044974 /nfs/dbraw/zinc/04/49/74/673044974.db2.gz YKHYUKODRKORBN-UHFFFAOYSA-N -1 2 352.343 2.283 20 0 FEADLM N#Cc1c(F)cccc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C(=O)[O-] ZINC000327242578 673058378 /nfs/dbraw/zinc/05/83/78/673058378.db2.gz WMDYIMHSDJZMCJ-UHFFFAOYSA-N -1 2 365.298 2.105 20 0 FEADLM COC(=O)c1ccc(F)c(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])c1 ZINC000735029544 673479575 /nfs/dbraw/zinc/47/95/75/673479575.db2.gz WRIPWINDNWIGAY-UHFFFAOYSA-N -1 2 367.354 2.420 20 0 FEADLM CCn1cncc1S(=O)(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC000548557723 673971578 /nfs/dbraw/zinc/97/15/78/673971578.db2.gz OEHRCMQADOWYQP-UHFFFAOYSA-N -1 2 374.216 2.165 20 0 FEADLM COc1cc(S(=O)(=O)Nc2ccc(F)nc2)c(Cl)cc1C(=O)[O-] ZINC000765140510 680832448 /nfs/dbraw/zinc/83/24/48/680832448.db2.gz VIHCQHCLUGQLNT-UHFFFAOYSA-N -1 2 360.750 2.382 20 0 FEADLM Cc1sc(C(N)=O)cc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000677123908 679655399 /nfs/dbraw/zinc/65/53/99/679655399.db2.gz JWLLTESTOSZVAQ-UHFFFAOYSA-N -1 2 372.399 2.102 20 0 FEADLM O=C([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3ccccn3)s2)cc1 ZINC000833323897 680193207 /nfs/dbraw/zinc/19/32/07/680193207.db2.gz AOYSKIWCTVIIIA-UHFFFAOYSA-N -1 2 362.392 2.099 20 0 FEADLM CCOC(=O)c1n[nH]c([C@@H](CC(C)C)[N-]C(=O)C(F)(F)C(F)F)n1 ZINC000834686233 680256643 /nfs/dbraw/zinc/25/66/43/680256643.db2.gz GLXAYQOXMAJKOT-SSDOTTSWSA-N -1 2 354.304 2.085 20 0 FEADLM C[C@@H](Cc1ccc(NS(=O)(=O)c2cnc(Cl)n2C)cc1)C(=O)[O-] ZINC000758170227 680559184 /nfs/dbraw/zinc/55/91/84/680559184.db2.gz PCSSARLBTUUFSC-VIFPVBQESA-N -1 2 357.819 2.138 20 0 FEADLM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(C(=O)CC)ccc1O ZINC000844665105 681073084 /nfs/dbraw/zinc/07/30/84/681073084.db2.gz YXSFVTIQXRELAI-OAHLLOKOSA-N -1 2 357.428 2.458 20 0 FEADLM COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)[C@H](C)C(F)(F)F)cc1 ZINC000776441349 681392262 /nfs/dbraw/zinc/39/22/62/681392262.db2.gz JFTUCFFJFLEKOO-KCJUWKMLSA-N -1 2 355.334 2.081 20 0 FEADLM CC(C)(C(=O)[O-])c1ccc(NS(=O)(=O)c2cnn(CC3CC3)c2)cc1 ZINC000777629314 681514163 /nfs/dbraw/zinc/51/41/63/681514163.db2.gz LUALHSSQQPZMOW-UHFFFAOYSA-N -1 2 363.439 2.456 20 0 FEADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000899955932 690449796 /nfs/dbraw/zinc/44/97/96/690449796.db2.gz WAAGPVBMZGLAPC-SCZZXKLOSA-N -1 2 357.325 2.254 20 0 FEADLM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1cnn(C(C)(C)C)c1 ZINC000065833784 541265429 /nfs/dbraw/zinc/26/54/29/541265429.db2.gz UGFXZVRNPOULRE-UHFFFAOYSA-N -1 2 367.427 2.075 20 0 FEADLM Cc1ccc2c(=O)c(C(=O)N3CCC(Cc4[nH+]ccn4C)CC3)c[nH]c2n1 ZINC000127271316 543981901 /nfs/dbraw/zinc/98/19/01/543981901.db2.gz BDDFOKOWRNMEBT-UHFFFAOYSA-N -1 2 365.437 2.472 20 0 FEADLM Cc1ccc(-n2cc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)cn2)c(C)c1 ZINC000191898815 328287399 /nfs/dbraw/zinc/28/73/99/328287399.db2.gz FKZVOVFHFJDONB-UHFFFAOYSA-N -1 2 360.395 2.316 20 0 FEADLM Cc1ccc(N2CCC(C(=O)Nc3cc(-c4nccn4C)[nH]n3)CC2)[nH+]c1 ZINC000119476507 326166757 /nfs/dbraw/zinc/16/67/57/326166757.db2.gz DYYMDNOMJKXEHX-UHFFFAOYSA-N -1 2 365.441 2.369 20 0 FEADLM Cc1ccc(N2CCC(C(=O)Nc3cc(-c4nccn4C)n[nH]3)CC2)[nH+]c1 ZINC000119476507 326166761 /nfs/dbraw/zinc/16/67/61/326166761.db2.gz DYYMDNOMJKXEHX-UHFFFAOYSA-N -1 2 365.441 2.369 20 0 FEADLM COc1cccc(OC)c1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000479514056 561191068 /nfs/dbraw/zinc/19/10/68/561191068.db2.gz GIWIIQBFGBKUAN-UHFFFAOYSA-N -1 2 373.333 2.481 20 0 FEADLM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2OCC2CC2)c[nH]1 ZINC000480235205 561205565 /nfs/dbraw/zinc/20/55/65/561205565.db2.gz YDKURJWUCVAPSV-UHFFFAOYSA-N -1 2 354.359 2.442 20 0 FEADLM CCOC(=O)c1c[nH+]ccc1N1CCC[C@H](CNC(=O)C(F)(F)F)C1 ZINC000290734404 552528128 /nfs/dbraw/zinc/52/81/28/552528128.db2.gz QVGCQGZJVTYYMQ-LLVKDONJSA-N -1 2 359.348 2.153 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2ccn(Cc3ccncc3)n2)ccc1C(=O)[O-] ZINC000506602700 561703445 /nfs/dbraw/zinc/70/34/45/561703445.db2.gz RDYUQINSYSCGNI-UHFFFAOYSA-N -1 2 372.406 2.134 20 0 FEADLM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000507645551 561736606 /nfs/dbraw/zinc/73/66/06/561736606.db2.gz SBNWZZPYXUAQAO-UHFFFAOYSA-N -1 2 367.354 2.420 20 0 FEADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000509388490 561797357 /nfs/dbraw/zinc/79/73/57/561797357.db2.gz BCMANTMOTWBYCO-UHFFFAOYSA-N -1 2 369.326 2.062 20 0 FEADLM C[C@H]1C[NH+](CC2CCN(C(=O)N=c3ccc(C4CC4)n[nH]3)CC2)C[C@H](C)O1 ZINC000333248631 554594078 /nfs/dbraw/zinc/59/40/78/554594078.db2.gz XTUXADSFIQANCI-GJZGRUSLSA-N -1 2 373.501 2.707 20 0 FEADLM COCCOc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000511110803 561857340 /nfs/dbraw/zinc/85/73/40/561857340.db2.gz RXNSGMDYEBMVJH-UHFFFAOYSA-N -1 2 357.409 2.272 20 0 FEADLM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)Nc2ccc3oc(=O)[nH]c3c2)c1 ZINC000512751606 561914157 /nfs/dbraw/zinc/91/41/57/561914157.db2.gz BKJOHWMMKKARKT-UHFFFAOYSA-N -1 2 366.326 2.480 20 0 FEADLM O=C(c1cc(=O)c2ccccc2[nH]1)N1CC[NH2+][C@@H](c2cccc(F)c2)C1 ZINC000374390630 557877470 /nfs/dbraw/zinc/87/74/70/557877470.db2.gz PBXRHZSJFRJLLT-GOSISDBHSA-N -1 2 351.381 2.454 20 0 FEADLM COc1ccsc1S(=O)(=O)[N-]c1cc(-c2n[nH]c(=O)[nH]2)ccc1C ZINC000375609388 558056449 /nfs/dbraw/zinc/05/64/49/558056449.db2.gz ACUDKPOWCDIQCS-UHFFFAOYSA-N -1 2 366.424 2.357 20 0 FEADLM Cc1cnc(N)c(S(=O)(=O)Nc2cccc(C(=O)[O-])c2OC(C)C)c1 ZINC000410400136 558755170 /nfs/dbraw/zinc/75/51/70/558755170.db2.gz HGINSSMTEHCETE-UHFFFAOYSA-N -1 2 365.411 2.258 20 0 FEADLM CCn1ncc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1C(F)(F)F ZINC000410400364 558755287 /nfs/dbraw/zinc/75/52/87/558755287.db2.gz BIIZJVFACRTXIX-UHFFFAOYSA-N -1 2 363.317 2.421 20 0 FEADLM CC(C)(C)c1nc(=N[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)s[nH]1 ZINC000416443010 559313083 /nfs/dbraw/zinc/31/30/83/559313083.db2.gz GFYBPNHDGPRXEF-QWHCGFSZSA-N -1 2 374.466 2.096 20 0 FEADLM CCOCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1 ZINC000433522815 559883498 /nfs/dbraw/zinc/88/34/98/559883498.db2.gz WPXZHJAUVBCCBN-UHFFFAOYSA-N -1 2 351.380 2.428 20 0 FEADLM COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000436176717 559936836 /nfs/dbraw/zinc/93/68/36/559936836.db2.gz JCRZMCBQQQDTBE-UHFFFAOYSA-N -1 2 371.392 2.048 20 0 FEADLM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)Nc1ccn(CCC(C)C)n1 ZINC000436524403 559944300 /nfs/dbraw/zinc/94/43/00/559944300.db2.gz HNFXFJLHGJBPAH-UHFFFAOYSA-N -1 2 367.427 2.442 20 0 FEADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)c1 ZINC000436726151 559950175 /nfs/dbraw/zinc/95/01/75/559950175.db2.gz WNUYHNHERHBCDG-SNVBAGLBSA-N -1 2 365.411 2.367 20 0 FEADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cnn(-c3ccccc3)c2)c1 ZINC000436993459 559958882 /nfs/dbraw/zinc/95/88/82/559958882.db2.gz CHXQCPRHJLDISX-UHFFFAOYSA-N -1 2 359.363 2.077 20 0 FEADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1O ZINC000436997627 559959228 /nfs/dbraw/zinc/95/92/28/559959228.db2.gz WVZJCCSCBDSEAZ-UHFFFAOYSA-N -1 2 371.392 2.048 20 0 FEADLM COc1ccc(NC(C)=O)c(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)c1 ZINC000462077109 560795468 /nfs/dbraw/zinc/79/54/68/560795468.db2.gz YGQUGBRJDVUJEA-UHFFFAOYSA-N -1 2 368.367 2.054 20 0 FEADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)cc1Cl ZINC000474407666 561073388 /nfs/dbraw/zinc/07/33/88/561073388.db2.gz FFJTVVJRJMQTBL-UHFFFAOYSA-N -1 2 352.759 2.110 20 0 FEADLM COc1ccnc2c(NS(=O)(=O)c3cc(C(=O)[O-])ccc3O)cccc12 ZINC000534317186 562531377 /nfs/dbraw/zinc/53/13/77/562531377.db2.gz ATOBIORJGKBVKZ-UHFFFAOYSA-N -1 2 374.374 2.448 20 0 FEADLM COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000324927313 599852211 /nfs/dbraw/zinc/85/22/11/599852211.db2.gz WGRHMNNVSWPVBG-UHFFFAOYSA-N -1 2 353.327 2.111 20 0 FEADLM COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cnccc2C(=O)[O-])c1 ZINC000391594250 600514383 /nfs/dbraw/zinc/51/43/83/600514383.db2.gz BZFCVCPWUFLBJN-UHFFFAOYSA-N -1 2 370.770 2.021 20 0 FEADLM O=C([O-])c1ccncc1NS(=O)(=O)c1ccccc1Br ZINC000079701467 600515240 /nfs/dbraw/zinc/51/52/40/600515240.db2.gz FLLLCJPENACFNZ-UHFFFAOYSA-N -1 2 357.185 2.343 20 0 FEADLM Cc1oc(C)c(S(=O)(=O)Nc2cccc(C[S@@](C)=O)c2)c1C(=O)[O-] ZINC000738970910 600612943 /nfs/dbraw/zinc/61/29/43/600612943.db2.gz WMIIFWUBKDMYQK-HSZRJFAPSA-N -1 2 371.436 2.274 20 0 FEADLM CC(C)CCc1ccccc1NS(=O)(=O)c1cnn(CC(=O)[O-])c1 ZINC000826861104 600679096 /nfs/dbraw/zinc/67/90/96/600679096.db2.gz OLRKKKFDILRUSJ-UHFFFAOYSA-N -1 2 351.428 2.357 20 0 FEADLM Cc1ccc2c(n1)[nH]cc(C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c2=O ZINC000832962609 600780626 /nfs/dbraw/zinc/78/06/26/600780626.db2.gz ZAFUQCDNBBDTTQ-AWEZNQCLSA-N -1 2 351.362 2.242 20 0 FEADLM Cc1nc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)sc1C(=O)[O-] ZINC000833003604 600977215 /nfs/dbraw/zinc/97/72/15/600977215.db2.gz UBRWQKPCOFSFSO-UHFFFAOYSA-N -1 2 352.315 2.368 20 0 FEADLM COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])s1 ZINC000832413428 601357647 /nfs/dbraw/zinc/35/76/47/601357647.db2.gz WXMFFPQBTPEZGD-UHFFFAOYSA-N -1 2 370.408 2.214 20 0 FEADLM Cc1ccc(S(=O)(=O)Nc2nnc(CCCC(=O)[O-])s2)c(F)c1 ZINC000832956518 602105024 /nfs/dbraw/zinc/10/50/24/602105024.db2.gz KBSMSKXCBAWYBI-UHFFFAOYSA-N -1 2 359.404 2.194 20 0 FEADLM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C(=O)[O-])cs2)ccc1F ZINC000825890287 602117216 /nfs/dbraw/zinc/11/72/16/602117216.db2.gz IFJVETICXIMJHG-UHFFFAOYSA-N -1 2 358.372 2.345 20 0 FEADLM O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)c1 ZINC000833297755 602319440 /nfs/dbraw/zinc/31/94/40/602319440.db2.gz UJPOEHUYPCQWCP-UHFFFAOYSA-N -1 2 352.759 2.110 20 0 FEADLM O=C([O-])N1CCC(C(=O)NOCc2cccnc2)(c2ccccc2)CC1 ZINC000834073711 605665370 /nfs/dbraw/zinc/66/53/70/605665370.db2.gz JLKKEVYXCWYUFO-UHFFFAOYSA-N -1 2 355.394 2.341 20 0 FEADLM C[C@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000275040208 672955351 /nfs/dbraw/zinc/95/53/51/672955351.db2.gz RBHHTJUVAXCXQJ-GMSGAONNSA-N -1 2 359.753 2.206 20 0 FEADLM Cn1ncc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1C(=O)[O-] ZINC000538093010 673421509 /nfs/dbraw/zinc/42/15/09/673421509.db2.gz JRKNYRNIQAJKQK-UHFFFAOYSA-N -1 2 356.212 2.287 20 0 FEADLM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2cnn(C)c2C(F)F)c1C ZINC000677552083 679685801 /nfs/dbraw/zinc/68/58/01/679685801.db2.gz OIEMIYRKAVIFJU-UHFFFAOYSA-N -1 2 359.354 2.474 20 0 FEADLM CC(C)[N@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2occc2Br)C1 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Cn1c[nH+]c(CCNS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000416532263 559320115 /nfs/dbraw/zinc/32/01/15/559320115.db2.gz IIDPSGFSBKUSCP-UHFFFAOYSA-N -1 2 351.325 2.099 20 0 FEADLM Cn1ncc(NS(=O)(=O)c2ccc(C(=O)[O-])c(F)c2)c1C(F)(F)F ZINC000436155620 559936296 /nfs/dbraw/zinc/93/62/96/559936296.db2.gz QKUIOFRHVZVHJZ-UHFFFAOYSA-N -1 2 367.280 2.077 20 0 FEADLM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(OC(F)F)nc2)c1 ZINC000436774731 559951740 /nfs/dbraw/zinc/95/17/40/559951740.db2.gz XDHLKXHUCCUGKS-UHFFFAOYSA-N -1 2 374.321 2.196 20 0 FEADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CC3)c(F)c1 ZINC000438773093 559983480 /nfs/dbraw/zinc/98/34/80/559983480.db2.gz BIRMZKWKPFLDBO-UHFFFAOYSA-N -1 2 364.354 2.209 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2cnn([C@@H]3CCOC3)c2C)sc1C(=O)[O-] ZINC000451099381 560287098 /nfs/dbraw/zinc/28/70/98/560287098.db2.gz LMHNPWKIYDASJO-SNVBAGLBSA-N -1 2 371.440 2.022 20 0 FEADLM Cc1noc(C2CC2)c1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000463783596 560824219 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FRYVFUYCRCNYIR-UHFFFAOYSA-N -1 2 357.185 2.343 20 0 FEADLM COC(=O)c1sc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c(O)c1 ZINC000737716996 601117826 /nfs/dbraw/zinc/11/78/26/601117826.db2.gz FSCMLFAGNHLQMF-UHFFFAOYSA-N -1 2 371.392 2.048 20 0 FEADLM Cn1cc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)cc1C(=O)[O-] ZINC000833055722 601361982 /nfs/dbraw/zinc/36/19/82/601361982.db2.gz MTFXJDJYYZDCHY-UHFFFAOYSA-N -1 2 364.408 2.043 20 0 FEADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(N2CCCC2)c1 ZINC000833346604 601769352 /nfs/dbraw/zinc/76/93/52/601769352.db2.gz SNWAWZLNERCBCC-UHFFFAOYSA-N -1 2 353.425 2.242 20 0 FEADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(OC(F)F)c1 ZINC000833345514 601836307 /nfs/dbraw/zinc/83/63/07/601836307.db2.gz CRFQZTNOUZTOOY-UHFFFAOYSA-N -1 2 350.324 2.244 20 0 FEADLM O=C([O-])c1nscc1S(=O)(=O)Nc1ccc(-c2csnn2)cc1 ZINC000833345744 601836940 /nfs/dbraw/zinc/83/69/40/601836940.db2.gz XBOIXPATWRUTNP-UHFFFAOYSA-N -1 2 368.421 2.161 20 0 FEADLM CC(C)(C)c1nnc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])s1 ZINC000826528046 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Cc1ccnc(-n2nccc2NS(=O)(=O)c2cccc(C)c2C(=O)[O-])c1 ZINC000832983090 602157900 /nfs/dbraw/zinc/15/79/00/602157900.db2.gz HOHKVUBWOYQGED-UHFFFAOYSA-N -1 2 372.406 2.383 20 0 FEADLM O=C([O-])Nc1cc2c(cc1NS(=O)(=O)c1ccc(Cl)nc1)OCO2 ZINC000832828601 603889093 /nfs/dbraw/zinc/88/90/93/603889093.db2.gz ITGFKPGUYFCMMN-UHFFFAOYSA-N -1 2 371.758 2.354 20 0 FEADLM O=C([O-])c1cncc(NS(=O)(=O)c2ccccc2Br)c1 ZINC000062946994 604889488 /nfs/dbraw/zinc/88/94/88/604889488.db2.gz HTDAEKXWHUBSDO-UHFFFAOYSA-N -1 2 357.185 2.343 20 0 FEADLM CC(C)(C)n1cnc(NS(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])n1 ZINC000833451348 605343627 /nfs/dbraw/zinc/34/36/27/605343627.db2.gz DPDLOUJJPGRNKU-UHFFFAOYSA-N -1 2 358.807 2.186 20 0 FEADLM O=C([O-])N[C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)[N-]OC1CCCC1 ZINC000834251182 605958753 /nfs/dbraw/zinc/95/87/53/605958753.db2.gz VOHGWOCCWTWWOS-KRWDZBQOSA-N -1 2 372.425 2.101 20 0 FEADLM C[C@H]1CN(C(=O)c2c(O)cnc3c(Br)cccc32)CC[N@@H+]1C ZINC000810442438 674544925 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COC(=O)c1sccc1S(=O)(=O)Nc1cc(F)c(C)cc1C(=O)[O-] ZINC000548588933 673976991 /nfs/dbraw/zinc/97/69/91/673976991.db2.gz WJNHNVSABQPFRV-UHFFFAOYSA-N -1 2 373.383 2.481 20 0 FEADLM Cc1cnc(N)c(S(=O)(=O)Nc2cc(C(=O)[O-])cc3cccnc32)c1 ZINC000821106411 675413921 /nfs/dbraw/zinc/41/39/21/675413921.db2.gz HHLHSJXBTGVJGW-UHFFFAOYSA-N -1 2 358.379 2.019 20 0 FEADLM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cnn(CC4CC4)c3)c1)CCC2 ZINC000608343574 675889281 /nfs/dbraw/zinc/88/92/81/675889281.db2.gz KRHSAZVAWJMYBQ-UHFFFAOYSA-N -1 2 361.423 2.281 20 0 FEADLM O=C([O-])c1ccc(NS(=O)(=O)c2cccnc2OCC(F)F)cc1 ZINC000647920009 677308574 /nfs/dbraw/zinc/30/85/74/677308574.db2.gz CDPXRXRDRIQTIJ-UHFFFAOYSA-N -1 2 358.322 2.225 20 0 FEADLM CO[C@@H](CS(=O)(=O)[N-]c1cc(Cl)cc(Cl)c1O)[C@H]1CCOC1 ZINC000656626966 677791995 /nfs/dbraw/zinc/79/19/95/677791995.db2.gz QKJBVOMJXWLEEM-UFBFGSQYSA-N -1 2 370.254 2.492 20 0 FEADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000665321431 678952532 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Cc1onc(OC(F)F)c1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000788132093 682506283 /nfs/dbraw/zinc/50/62/83/682506283.db2.gz PMAOKSNCCQMWEQ-UHFFFAOYSA-N -1 2 366.273 2.223 20 0 FEADLM COC(=O)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c1C ZINC000028249662 539828840 /nfs/dbraw/zinc/82/88/40/539828840.db2.gz ZVQJXYZQRBYYHK-UHFFFAOYSA-N -1 2 355.393 2.342 20 0 FEADLM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1C(=O)[O-] ZINC000046015558 540237365 /nfs/dbraw/zinc/23/73/65/540237365.db2.gz KOQRMQGTTHLPGK-UHFFFAOYSA-N -1 2 366.351 2.411 20 0 FEADLM COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)cc(C(=O)[O-])c2)c(F)c1 ZINC000552025498 674183021 /nfs/dbraw/zinc/18/30/21/674183021.db2.gz HFWKRWLCMUQVLZ-UHFFFAOYSA-N -1 2 367.354 2.420 20 0 FEADLM Cc1c(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cccc1C(=O)[O-] ZINC000186984294 327995584 /nfs/dbraw/zinc/99/55/84/327995584.db2.gz QIGLUDZTELZILV-UHFFFAOYSA-N -1 2 363.317 2.253 20 0 FEADLM CCn1cc(S(=O)(=O)Nc2ccc(Br)c(C(=O)[O-])c2)cn1 ZINC000161715591 327007456 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FEADLM CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000484604282 561301006 /nfs/dbraw/zinc/30/10/06/561301006.db2.gz ZRSAKAXBBITYSC-UHFFFAOYSA-N -1 2 367.379 2.436 20 0 FEADLM Cc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c(C(=O)[O-])c1 ZINC000186968641 548231859 /nfs/dbraw/zinc/23/18/59/548231859.db2.gz ASOYLRKPPBEBLH-UHFFFAOYSA-N -1 2 363.317 2.253 20 0 FEADLM Cc1c(S(=O)(=O)Nc2ccc(S[C@H](C)C(=O)[O-])cc2)cnn1C ZINC000291945570 552677487 /nfs/dbraw/zinc/67/74/87/552677487.db2.gz PZWSZHDGNMMEGE-SNVBAGLBSA-N -1 2 355.441 2.095 20 0 FEADLM O=c1[nH]nc([C@@H]2CCC[N@@H+](C[C@@H](O)Cc3ccc(C(F)(F)F)cc3)C2)o1 ZINC000295430576 553005621 /nfs/dbraw/zinc/00/56/21/553005621.db2.gz UVIJIUKDCWJCEZ-OCCSQVGLSA-N -1 2 371.359 2.165 20 0 FEADLM CCOc1cc2c(cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)O[C@H](C)C2 ZINC000299590414 553585509 /nfs/dbraw/zinc/58/55/09/553585509.db2.gz KWEPZNMCJCREOO-SECBINFHSA-N -1 2 366.395 2.236 20 0 FEADLM CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)c(F)c1 ZINC000326962550 553784816 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20 0 FEADLM COc1cc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])ccc2O)cc1OC ZINC000433806277 559888045 /nfs/dbraw/zinc/88/80/45/559888045.db2.gz RIPIWCUOBHYDCY-UHFFFAOYSA-N -1 2 367.379 2.217 20 0 FEADLM O=C([O-])c1ccc(O)c(S(=O)(=O)Nc2cnn(Cc3ccccc3)c2)c1 ZINC000436994017 559959079 /nfs/dbraw/zinc/95/90/79/559959079.db2.gz KDINPWRNVYTXMS-UHFFFAOYSA-N -1 2 373.390 2.136 20 0 FEADLM CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CCC[C@H](c2n[nH]c(=O)o2)C1 ZINC000450905997 560277733 /nfs/dbraw/zinc/27/77/33/560277733.db2.gz OZXFAKKEKTUXLQ-WFASDCNBSA-N -1 2 360.414 2.381 20 0 FEADLM Cc1nn(C)c2cc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)ccc12 ZINC000461348778 560767558 /nfs/dbraw/zinc/76/75/58/560767558.db2.gz USGWPLBETGPPJB-UHFFFAOYSA-N -1 2 351.409 2.442 20 0 FEADLM COC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])oc2C)cc1F ZINC000474310429 561070889 /nfs/dbraw/zinc/07/08/89/561070889.db2.gz GPTAVXGXCIXQHW-UHFFFAOYSA-N -1 2 357.315 2.013 20 0 FEADLM CC(C)Cc1ncc(NS(=O)(=O)c2cc(F)cc(C(=O)[O-])c2)cn1 ZINC000475830517 561106422 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Cc1c(S(=O)(=O)Nc2ccccc2C(=O)[O-])cnn1-c1ccccn1 ZINC000547903760 601120048 /nfs/dbraw/zinc/12/00/48/601120048.db2.gz JPJGCXCJYQAUHQ-UHFFFAOYSA-N -1 2 358.379 2.075 20 0 FEADLM CN(C)c1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1Cl ZINC000830639898 601769205 /nfs/dbraw/zinc/76/92/05/601769205.db2.gz SWZKWGWXNXVOEQ-UHFFFAOYSA-N -1 2 361.832 2.362 20 0 FEADLM Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2C(=O)[O-])c2n[nH]cc21 ZINC000832950625 601839204 /nfs/dbraw/zinc/83/92/04/601839204.db2.gz QMQHRZRIKOQFEF-UHFFFAOYSA-N -1 2 366.786 2.419 20 0 FEADLM CN1CCCc2ccc(S(=O)(=O)Nc3csnc3C(=O)[O-])cc21 ZINC000830946358 602155280 /nfs/dbraw/zinc/15/52/80/602155280.db2.gz KPPZWBHZSPPLPD-UHFFFAOYSA-N -1 2 353.425 2.025 20 0 FEADLM CCn1nc(C)c(S(=O)(=O)Nc2ccc(NC(=O)[O-])c(OC)c2)c1C ZINC000739571666 603229398 /nfs/dbraw/zinc/22/93/98/603229398.db2.gz WURNCUHROGWTHN-UHFFFAOYSA-N -1 2 368.415 2.419 20 0 FEADLM Cc1ccccc1-c1cc(NS(=O)(=O)c2ccc(C(=O)[O-])nc2)n(C)n1 ZINC000833752868 604702971 /nfs/dbraw/zinc/70/29/71/604702971.db2.gz CHZIICJEUGWCPK-UHFFFAOYSA-N -1 2 372.406 2.290 20 0 FEADLM COCc1ccc(S(=O)(=O)Nc2nc(CCCC(=O)[O-])cs2)cc1 ZINC000833725613 605050443 /nfs/dbraw/zinc/05/04/43/605050443.db2.gz BCGGZFKZOBRAFH-UHFFFAOYSA-N -1 2 370.452 2.498 20 0 FEADLM O=C([O-])Nc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)c(O)c1 ZINC000834257224 605331991 /nfs/dbraw/zinc/33/19/91/605331991.db2.gz HGDHYTZEAGRZAI-NSHDSACASA-N -1 2 371.397 2.497 20 0 FEADLM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NS(=O)(=O)CC(F)(F)F ZINC000571080065 670813378 /nfs/dbraw/zinc/81/33/78/670813378.db2.gz MINPYHYATRTVBN-WCQYABFASA-N -1 2 365.373 2.432 20 0 FEADLM O=C([O-])c1cc(F)c(F)c(S(=O)(=O)Nc2ccc3c[nH]nc3c2)c1 ZINC000159927649 672286826 /nfs/dbraw/zinc/28/68/26/672286826.db2.gz QGYDJYBURFXWHS-UHFFFAOYSA-N -1 2 353.306 2.340 20 0 FEADLM Cc1cc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc(C(=O)[O-])c1 ZINC000285149977 672978992 /nfs/dbraw/zinc/97/89/92/672978992.db2.gz RQDROZJLQKDEIM-UHFFFAOYSA-N -1 2 365.411 2.042 20 0 FEADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@@H](CCCc1ccccc1)C(=O)[O-] ZINC000547888966 673897992 /nfs/dbraw/zinc/89/79/92/673897992.db2.gz NIAPVXOQVCYEBF-JQWIXIFHSA-N -1 2 353.362 2.333 20 0 FEADLM O=C([O-])c1c(Cl)cccc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000547963990 673909530 /nfs/dbraw/zinc/90/95/30/673909530.db2.gz MFKDRZUROAPMFZ-UHFFFAOYSA-N -1 2 365.745 2.301 20 0 FEADLM CCn1cncc1S(=O)(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1 ZINC000548196096 673932669 /nfs/dbraw/zinc/93/26/69/673932669.db2.gz WGQHDPQEGLMQGM-UHFFFAOYSA-N -1 2 363.317 2.421 20 0 FEADLM Cc1ccc(S(=O)(=O)Nc2cnn(C)c2C(F)F)c(C)c1C(=O)[O-] ZINC000677550625 679685478 /nfs/dbraw/zinc/68/54/78/679685478.db2.gz KWVRDVFPNZRXNB-UHFFFAOYSA-N -1 2 359.354 2.474 20 0 FEADLM Cc1cc(C)c(S(=O)(=O)Nc2cnn(C)c2C(F)F)cc1C(=O)[O-] ZINC000677551147 679685576 /nfs/dbraw/zinc/68/55/76/679685576.db2.gz VYSFSJDRXBFCNR-UHFFFAOYSA-N -1 2 359.354 2.474 20 0 FEADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC000677995943 679708694 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20 0 FEADLM O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1c(F)cccc1F ZINC000852732310 682328611 /nfs/dbraw/zinc/32/86/11/682328611.db2.gz AIZNGVLEWDOENK-RYUDHWBXSA-N -1 2 366.286 2.061 20 0 FEADLM Cc1onc(OC(F)F)c1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000788132082 682506356 /nfs/dbraw/zinc/50/63/56/682506356.db2.gz PHODOUDTTNKKLU-UHFFFAOYSA-N -1 2 362.310 2.392 20 0 FEADLM C[C@@H](C(F)(F)F)S(=O)(=O)NC[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000899955933 690449834 /nfs/dbraw/zinc/44/98/34/690449834.db2.gz WAAGPVBMZGLAPC-WCBMZHEXSA-N -1 2 357.325 2.254 20 0 FEADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000063635530 541175825 /nfs/dbraw/zinc/17/58/25/541175825.db2.gz WVVJKSGWUJRVKL-UHFFFAOYSA-N -1 2 361.379 2.379 20 0 FEADLM Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc([C@@H](C)CC(=O)[O-])cc1 ZINC000182887483 327792156 /nfs/dbraw/zinc/79/21/56/327792156.db2.gz PLBNVIFMNIXRTJ-JTQLQIEISA-N -1 2 351.428 2.416 20 0 FEADLM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000116430400 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ZINC000740242426 602869460 /nfs/dbraw/zinc/86/94/60/602869460.db2.gz ILDOSXLZYUUSEG-UHFFFAOYSA-N -1 2 353.404 2.367 20 0 FEADLM Cc1ccc2c(=O)c(C(=O)NC3C[C@H]4CC[C@@H](C3)N4C(=O)[O-])c[nH]c2n1 ZINC000830439739 603923965 /nfs/dbraw/zinc/92/39/65/603923965.db2.gz QXSZWYKZYRTYGT-YOGCLGLASA-N -1 2 356.382 2.047 20 0 FEADLM Cc1ccc(S(=O)(=O)Nc2nnc(C(F)(F)F)s2)cc1C(=O)[O-] ZINC000832956523 604402568 /nfs/dbraw/zinc/40/25/68/604402568.db2.gz KSRBXEXGHFTZTA-UHFFFAOYSA-N -1 2 367.330 2.364 20 0 FEADLM Cc1ccc(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)c(C(=O)[O-])c1 ZINC000833751420 605188725 /nfs/dbraw/zinc/18/87/25/605188725.db2.gz XKXYAVYVCJZBMU-UHFFFAOYSA-N -1 2 358.379 2.075 20 0 FEADLM O=C([O-])Nc1ccccc1NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000834276019 605790013 /nfs/dbraw/zinc/79/00/13/605790013.db2.gz UVLHETOUCFKQOZ-UHFFFAOYSA-N -1 2 366.399 2.125 20 0 FEADLM O=C([O-])NCc1nnc(-c2ccc(NC(=O)c3ccc(F)cc3O)cc2)[nH]1 ZINC000834246750 605830087 /nfs/dbraw/zinc/83/00/87/605830087.db2.gz JBXJMPYYFRCUCQ-UHFFFAOYSA-N -1 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COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(C)=O)ccc1O ZINC000477167747 561138369 /nfs/dbraw/zinc/13/83/69/561138369.db2.gz VYSHKYDEDNWATC-UHFFFAOYSA-N -1 2 365.363 2.102 20 0 FEADLM COC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])c(C)o1 ZINC000533165084 562500067 /nfs/dbraw/zinc/50/00/67/562500067.db2.gz FMXCQRFPIHTTEO-UHFFFAOYSA-N -1 2 353.352 2.182 20 0 FEADLM Cc1ccnn1-c1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O ZINC000541307841 562608497 /nfs/dbraw/zinc/60/84/97/562608497.db2.gz SYBHKVLAZJSSIY-UHFFFAOYSA-N -1 2 373.390 2.385 20 0 FEADLM NC(=O)[C@H]([NH2+][C@H]1CCSc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737732181 599096295 /nfs/dbraw/zinc/09/62/95/599096295.db2.gz XBANQCRAEDFFIP-GOEBONIOSA-N -1 2 366.450 2.220 20 0 FEADLM NC(=O)[C@@H]([NH2+][C@@H]1CCSc2ccccc21)c1ccc(-c2nn[nH]n2)cc1 ZINC000737732191 599096872 /nfs/dbraw/zinc/09/68/72/599096872.db2.gz XBANQCRAEDFFIP-ZBFHGGJFSA-N -1 2 366.450 2.220 20 0 FEADLM COC(=O)c1ccc(F)c(S(=O)(=O)Nc2ccccc2CC(=O)[O-])c1 ZINC000818522003 597315290 /nfs/dbraw/zinc/31/52/90/597315290.db2.gz HEIZBDKILXIMQX-UHFFFAOYSA-N -1 2 367.354 2.040 20 0 FEADLM COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000547542231 599850982 /nfs/dbraw/zinc/85/09/82/599850982.db2.gz ZMKPXPPWYSOGDI-UHFFFAOYSA-N -1 2 371.317 2.250 20 0 FEADLM Cc1cnc2c(cccc2S(=O)(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000323830495 600050839 /nfs/dbraw/zinc/05/08/39/600050839.db2.gz ANRKKORLLXNBME-UHFFFAOYSA-N -1 2 363.420 2.428 20 0 FEADLM Cn1cc(S(=O)(=O)Nc2ccnn2C2CCCCC2)cc1C(=O)[O-] ZINC000833056005 600815513 /nfs/dbraw/zinc/81/55/13/600815513.db2.gz ROUDJQQVTACORY-UHFFFAOYSA-N -1 2 352.416 2.226 20 0 FEADLM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc3c(c2)NC(=O)CC3)s1 ZINC000740306025 600898768 /nfs/dbraw/zinc/89/87/68/600898768.db2.gz QSPFIAJWYUCHPR-UHFFFAOYSA-N -1 2 352.393 2.132 20 0 FEADLM O=C([O-])Cn1cc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cn1 ZINC000319664918 600974005 /nfs/dbraw/zinc/97/40/05/600974005.db2.gz SWIQSCZVCJSLPZ-UHFFFAOYSA-N -1 2 372.815 2.032 20 0 FEADLM COC(=O)c1ccncc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC000831457650 600984178 /nfs/dbraw/zinc/98/41/78/600984178.db2.gz PIESTSBJMPKMDO-UHFFFAOYSA-N -1 2 370.770 2.021 20 0 FEADLM C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000737658247 601329027 /nfs/dbraw/zinc/32/90/27/601329027.db2.gz ZUTXPKXGBAZLCJ-VIFPVBQESA-N -1 2 353.375 2.492 20 0 FEADLM O=C([O-])c1cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)ccc1F ZINC000118301365 601331981 /nfs/dbraw/zinc/33/19/81/601331981.db2.gz VXOUWBSRWRSUBY-UHFFFAOYSA-N -1 2 367.280 2.084 20 0 FEADLM CCC[C@@](C)(NC(=O)[O-])C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000739293647 602115867 /nfs/dbraw/zinc/11/58/67/602115867.db2.gz XWSBPUQLHVGBLH-OAHLLOKOSA-N -1 2 352.416 2.182 20 0 FEADLM CC(C)C[C@H](C)n1nccc1NS(=O)(=O)c1ccc(C(=O)[O-])nc1 ZINC000833474922 604699042 /nfs/dbraw/zinc/69/90/42/604699042.db2.gz BFKQCRSZRIPOHM-NSHDSACASA-N -1 2 352.416 2.384 20 0 FEADLM C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000833516284 605164863 /nfs/dbraw/zinc/16/48/63/605164863.db2.gz VANRTZZZBARJJU-VIFPVBQESA-N -1 2 353.375 2.492 20 0 FEADLM COc1ccc(O)c(S(=O)(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)c1 ZINC000833733772 605240632 /nfs/dbraw/zinc/24/06/32/605240632.db2.gz PMFHAMSTCOKYLG-UHFFFAOYSA-N -1 2 366.395 2.311 20 0 FEADLM COc1ccc(O)c(S(=O)(=O)Nc2ccc(CCC(=O)[O-])cc2)c1 ZINC000833733988 605240640 /nfs/dbraw/zinc/24/06/40/605240640.db2.gz YBWHEMANCVXAOH-UHFFFAOYSA-N -1 2 351.380 2.219 20 0 FEADLM CC(=O)N1CCc2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])s3)cc21 ZINC000326325239 605301892 /nfs/dbraw/zinc/30/18/92/605301892.db2.gz PYTDTFVRGRUTPK-UHFFFAOYSA-N -1 2 366.420 2.156 20 0 FEADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H](NC(=O)[O-])C(C)(C)C ZINC000828422130 605602507 /nfs/dbraw/zinc/60/25/07/605602507.db2.gz RWEZJBLUQARKTG-LLVKDONJSA-N -1 2 352.416 2.038 20 0 FEADLM Fc1c(C[N@@H+]2CCOC[C@H]2Cc2ccccc2)cccc1-c1nn[nH]n1 ZINC000826370800 608401481 /nfs/dbraw/zinc/40/14/81/608401481.db2.gz HRWKZTXGBPFQQK-MRXNPFEDSA-N -1 2 353.401 2.449 20 0 FEADLM O=C([O-])C[C@H](CNS(=O)(=O)c1c(Cl)ccc(F)c1F)C(F)F ZINC000582550949 672012611 /nfs/dbraw/zinc/01/26/11/672012611.db2.gz ZXWZTQIRHIDGKN-RXMQYKEDSA-N -1 2 363.716 2.253 20 0 FEADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC000157258513 672256823 /nfs/dbraw/zinc/25/68/23/672256823.db2.gz MZESFLRTYGYTCL-UHFFFAOYSA-N -1 2 373.381 2.322 20 0 FEADLM C[C@@H](C(F)(F)F)S(=O)(=O)N[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000275040210 672955275 /nfs/dbraw/zinc/95/52/75/672955275.db2.gz RBHHTJUVAXCXQJ-OIBJUYFYSA-N -1 2 359.753 2.206 20 0 FEADLM CC(=O)Nc1ccc(NS(=O)(=O)c2cccnc2Cl)c(C(=O)[O-])c1 ZINC000325115963 673048856 /nfs/dbraw/zinc/04/88/56/673048856.db2.gz MUWROEJLIMKRKK-UHFFFAOYSA-N -1 2 369.786 2.192 20 0 FEADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@H](Cc1cccc(Cl)c1)C(=O)[O-] ZINC000547879583 673896594 /nfs/dbraw/zinc/89/65/94/673896594.db2.gz WDAKRPYWCCPQOD-SCZZXKLOSA-N -1 2 373.780 2.454 20 0 FEADLM CCCOc1ccc(C(=O)[O-])cc1NS(=O)(=O)Cc1cc(C)no1 ZINC000548264504 673944953 /nfs/dbraw/zinc/94/49/53/673944953.db2.gz NAQFECPPSNSJMP-UHFFFAOYSA-N -1 2 354.384 2.412 20 0 FEADLM O=C([O-])c1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1Cl ZINC000548619604 673980556 /nfs/dbraw/zinc/98/05/56/673980556.db2.gz MCYZWVTVWCWFGX-UHFFFAOYSA-N -1 2 365.745 2.301 20 0 FEADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000677185554 679666315 /nfs/dbraw/zinc/66/63/15/679666315.db2.gz XNLVBTSXTCNDBU-UHFFFAOYSA-N -1 2 351.428 2.352 20 0 FEADLM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(F)c(C)c1C(=O)[O-] ZINC000842587591 680953874 /nfs/dbraw/zinc/95/38/74/680953874.db2.gz BXVYVKOXTUCBNS-UHFFFAOYSA-N -1 2 369.418 2.491 20 0 FEADLM CC(C)[N@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2occc2Br)C1 ZINC000914203084 685498745 /nfs/dbraw/zinc/49/87/45/685498745.db2.gz YKDFNKWXMJJVJH-GXSJLCMTSA-N -1 2 351.266 2.049 20 0 FEADLM CC(C)Cn1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(F)c2F)cn1 ZINC000160240064 326958443 /nfs/dbraw/zinc/95/84/43/326958443.db2.gz DCOXIVKTVKJDDZ-UHFFFAOYSA-N -1 2 359.354 2.316 20 0 FEADLM COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1ccc(C)c(C(=O)[O-])c1 ZINC000266619584 329242291 /nfs/dbraw/zinc/24/22/91/329242291.db2.gz SQCFIMFJELOLNJ-UHFFFAOYSA-N -1 2 367.379 2.490 20 0 FEADLM O=S(=O)(N[C@@H]1CCCN(c2cccc[nH+]2)C1)c1cncc(Cl)c1 ZINC000367240357 330234752 /nfs/dbraw/zinc/23/47/52/330234752.db2.gz KCRRRMWRKRDDSU-CYBMUJFWSA-N -1 2 352.847 2.077 20 0 FEADLM O=S(=O)(Nc1ccn(C2CCOCC2)n1)c1cccc(Cl)c1[O-] ZINC000656636468 450593405 /nfs/dbraw/zinc/59/34/05/450593405.db2.gz HMBIOISPDZUHEU-UHFFFAOYSA-N -1 2 357.819 2.394 20 0 FEADLM O=S(=O)([N-]c1ccn(C2CCOCC2)n1)c1cccc(Cl)c1O ZINC000656636468 450593412 /nfs/dbraw/zinc/59/34/12/450593412.db2.gz HMBIOISPDZUHEU-UHFFFAOYSA-N -1 2 357.819 2.394 20 0 FEADLM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cnn(Cc2ccncc2)c1 ZINC000477414188 561144391 /nfs/dbraw/zinc/14/43/91/561144391.db2.gz FLZJVDRJGPCXGV-UHFFFAOYSA-N -1 2 372.406 2.134 20 0 FEADLM Cc1nc(C)c(S(=O)(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)s1 ZINC000178132646 546744020 /nfs/dbraw/zinc/74/40/20/546744020.db2.gz GTLDRTMHCOEMNH-ZDUSSCGKSA-N -1 2 373.544 2.072 20 0 FEADLM COc1cc(OC)cc(S(=O)(=O)Nc2cc(C(=O)[O-])ccc2OC)c1 ZINC000484551046 561299792 /nfs/dbraw/zinc/29/97/92/561299792.db2.gz HFCJFNDEEHUGJM-UHFFFAOYSA-N -1 2 367.379 2.211 20 0 FEADLM COc1ccc(S(=O)(=O)Nc2c(C)[nH]nc2C(F)F)cc1C(=O)[O-] ZINC000499330453 561549017 /nfs/dbraw/zinc/54/90/17/561549017.db2.gz QTKHPRZFCHGDKY-UHFFFAOYSA-N -1 2 361.326 2.163 20 0 FEADLM COC[C@]1(C)CC[N@H+](Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[nH]2)C1 ZINC000296669178 553195962 /nfs/dbraw/zinc/19/59/62/553195962.db2.gz KPBCHYJJJQMFSE-QGZVFWFLSA-N -1 2 365.455 2.350 20 0 FEADLM COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cc(C)cc(C(=O)[O-])c1 ZINC000507579028 561733890 /nfs/dbraw/zinc/73/38/90/561733890.db2.gz IVKNVOOKXSICGU-UHFFFAOYSA-N -1 2 367.354 2.420 20 0 FEADLM COc1ccc(NC(C)=O)c(NS(=O)(=O)c2csc(C(=O)[O-])c2)c1 ZINC000511259213 561863032 /nfs/dbraw/zinc/86/30/32/561863032.db2.gz OHILOTPBUQMNGF-UHFFFAOYSA-N -1 2 370.408 2.214 20 0 FEADLM CC(=O)N1CCC[C@H]1[C@H]1CCCN1C(=O)c1c[nH]c2c(C)cccc2c1=O ZINC000364397138 555306116 /nfs/dbraw/zinc/30/61/16/555306116.db2.gz KDLVRYCLYSHVMR-ZWKOTPCHSA-N -1 2 367.449 2.452 20 0 FEADLM COc1ccc(C(=O)N2CCC[N@H+]([C@H](C)c3nc(C)cc(=O)[nH]3)CC2)cc1 ZINC000375752798 558077115 /nfs/dbraw/zinc/07/71/15/558077115.db2.gz DAOWNYJEKZZOBR-OAHLLOKOSA-N -1 2 370.453 2.408 20 0 FEADLM CCNC(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)c(C)c1 ZINC000391859067 558615100 /nfs/dbraw/zinc/61/51/00/558615100.db2.gz WLBOSQLULFNWJH-UHFFFAOYSA-N -1 2 368.436 2.305 20 0 FEADLM O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415475555 559241329 /nfs/dbraw/zinc/24/13/29/559241329.db2.gz ABYPOOKROFNLJQ-SNVBAGLBSA-N -1 2 373.816 2.399 20 0 FEADLM COc1cccc(S(O)=CC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000424870531 559678930 /nfs/dbraw/zinc/67/89/30/559678930.db2.gz UUUNXKICNZPZAL-LMKMVOKYSA-N -1 2 366.527 2.430 20 0 FEADLM O=C([O-])c1csc(S(=O)(=O)Nc2ccc(OC3COC3)cc2)c1 ZINC000436170281 559936596 /nfs/dbraw/zinc/93/65/96/559936596.db2.gz AWDBCFLQPLVOHV-UHFFFAOYSA-N -1 2 355.393 2.025 20 0 FEADLM COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(CC(=O)[O-])c1 ZINC000442823094 560058395 /nfs/dbraw/zinc/05/83/95/560058395.db2.gz YXCIDFODMYGPDC-UHFFFAOYSA-N -1 2 369.420 2.271 20 0 FEADLM CCc1c(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cnn1-c1ccccc1 ZINC000466476331 560887731 /nfs/dbraw/zinc/88/77/31/560887731.db2.gz ZAPADNYBJKBZSA-UHFFFAOYSA-N -1 2 374.422 2.272 20 0 FEADLM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)cnc1OC ZINC000476403820 561118674 /nfs/dbraw/zinc/11/86/74/561118674.db2.gz JGADDIOZNFJHBZ-UHFFFAOYSA-N -1 2 350.396 2.460 20 0 FEADLM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1C ZINC000535401170 562557747 /nfs/dbraw/zinc/55/77/47/562557747.db2.gz QXJGAMQSQADETN-UHFFFAOYSA-N -1 2 367.354 2.420 20 0 FEADLM O=C([O-])CCCOC(=O)c1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000738579623 597842783 /nfs/dbraw/zinc/84/27/83/597842783.db2.gz DFBUXYKXUAPUJW-UHFFFAOYSA-N -1 2 354.156 2.312 20 0 FEADLM CCCCCOc1ccc(S(=O)(=O)Nc2ccn(CC(=O)[O-])n2)cc1 ZINC000736990513 599738587 /nfs/dbraw/zinc/73/85/87/599738587.db2.gz OMVDCDNBSXIGHZ-UHFFFAOYSA-N -1 2 367.427 2.338 20 0 FEADLM Cc1nc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)sc1C(=O)[O-] ZINC000738363098 600054924 /nfs/dbraw/zinc/05/49/24/600054924.db2.gz CJCMHGNEZLMRDV-UHFFFAOYSA-N -1 2 364.408 2.136 20 0 FEADLM COC(=O)c1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(F)cc1F ZINC000737680509 600228873 /nfs/dbraw/zinc/22/88/73/600228873.db2.gz JXAHMTNNCIANRN-UHFFFAOYSA-N -1 2 371.317 2.250 20 0 FEADLM Cc1cccc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1C(=O)[O-] ZINC000738746174 600482906 /nfs/dbraw/zinc/48/29/06/600482906.db2.gz FKCDRKOROXJTFC-UHFFFAOYSA-N -1 2 363.317 2.253 20 0 FEADLM COC(=O)c1cc2ccccc2cc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000751268989 600675814 /nfs/dbraw/zinc/67/58/14/600675814.db2.gz RDFNZHIOVVHDPI-UHFFFAOYSA-N -1 2 374.374 2.454 20 0 FEADLM CC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)sc2C1 ZINC000829133955 600827885 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COC(=O)c1ccncc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000831457293 601843748 /nfs/dbraw/zinc/84/37/48/601843748.db2.gz BDCXKIIKKGHZPS-UHFFFAOYSA-N -1 2 370.770 2.021 20 0 FEADLM C[C@@H](C1CC1)n1nccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC000827213640 601860996 /nfs/dbraw/zinc/86/09/96/601860996.db2.gz PAJOTLMYBNPITA-VIFPVBQESA-N -1 2 353.375 2.492 20 0 FEADLM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)nc2)cs1 ZINC000222059093 602156345 /nfs/dbraw/zinc/15/63/45/602156345.db2.gz YISDCBYEGGSJIZ-UHFFFAOYSA-N -1 2 363.214 2.405 20 0 FEADLM Cc1ccc(S(=O)(=O)Nc2cc(C3CCOCC3)n[nH]2)cc1C(=O)[O-] ZINC000832955772 602307701 /nfs/dbraw/zinc/30/77/01/602307701.db2.gz COAPHVBHZPSBQJ-UHFFFAOYSA-N -1 2 365.411 2.111 20 0 FEADLM O=C([O-])N[C@H]1CCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000832376600 605160026 /nfs/dbraw/zinc/16/00/26/605160026.db2.gz YUPVTPAZISIVIM-ZETCQYMHSA-N -1 2 363.595 2.290 20 0 FEADLM CCn1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cn1 ZINC000035239286 670135909 /nfs/dbraw/zinc/13/59/09/670135909.db2.gz 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CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000290436954 552478722 /nfs/dbraw/zinc/47/87/22/552478722.db2.gz NNQGAGCZZRBGLT-NSHDSACASA-N -1 2 366.405 2.172 20 0 FEADLM CCC(=O)N[C@H](CCSC)C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000500927208 561585856 /nfs/dbraw/zinc/58/58/56/561585856.db2.gz RSIIRTDIFZHSNG-GFCCVEGCSA-N -1 2 365.434 2.197 20 0 FEADLM COC(=O)C1(CS(=O)(=O)[N-]c2cc(C(C)=O)ccc2O)CCCC1 ZINC000290543709 552495964 /nfs/dbraw/zinc/49/59/64/552495964.db2.gz PKSIQQLXZMXTQZ-UHFFFAOYSA-N -1 2 355.412 2.070 20 0 FEADLM COC(=O)c1csc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])c1 ZINC000501790754 561605612 /nfs/dbraw/zinc/60/56/12/561605612.db2.gz FGYGAQIMKAMHHY-UHFFFAOYSA-N -1 2 359.356 2.173 20 0 FEADLM COC(=O)c1cc(C)ccc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000324741122 553773424 /nfs/dbraw/zinc/77/34/24/553773424.db2.gz NFUIXNFVFKQXMO-UHFFFAOYSA-N -1 2 353.352 2.182 20 0 FEADLM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cnc2c(cnn2C(C)C)c1 ZINC000327369390 553788609 /nfs/dbraw/zinc/78/86/09/553788609.db2.gz RGNZJFTWRKLFKZ-UHFFFAOYSA-N -1 2 364.383 2.413 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2cnoc2C2CC2)ccc1OCC(=O)[O-] ZINC000414382808 559160248 /nfs/dbraw/zinc/16/02/48/559160248.db2.gz LRVKGGYEIZOJFF-UHFFFAOYSA-N -1 2 352.368 2.125 20 0 FEADLM COc1cccc(S(O)=CC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)c1 ZINC000424870530 559678990 /nfs/dbraw/zinc/67/89/90/559678990.db2.gz UUUNXKICNZPZAL-IVCQMTBJSA-N -1 2 366.527 2.430 20 0 FEADLM O=C([O-])c1cccc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)c1O ZINC000436824138 559953156 /nfs/dbraw/zinc/95/31/56/559953156.db2.gz ZBKYTBIBFIKZFD-UHFFFAOYSA-N -1 2 359.363 2.077 20 0 FEADLM C[S@@](=O)c1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c1 ZINC000438775893 559983505 /nfs/dbraw/zinc/98/35/05/559983505.db2.gz UOPHCIWTRZXPCM-JOCHJYFZSA-N -1 2 357.384 2.062 20 0 FEADLM CC(C)O[C@]1(C(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)CCOC1 ZINC000449937589 560245888 /nfs/dbraw/zinc/24/58/88/560245888.db2.gz HFYOTECILANZGD-MRXNPFEDSA-N -1 2 352.341 2.273 20 0 FEADLM C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cc(F)cc(Br)c3O)C2)C1 ZINC000452130414 560353061 /nfs/dbraw/zinc/35/30/61/560353061.db2.gz YYGSYVWTJQXVGK-OAHLLOKOSA-N -1 2 357.223 2.462 20 0 FEADLM Cc1c(C(=O)[O-])cc(Br)cc1S(=O)(=O)Nc1cncnc1 ZINC000464546031 560844999 /nfs/dbraw/zinc/84/49/99/560844999.db2.gz HALULNRQXFVCGT-UHFFFAOYSA-N -1 2 372.200 2.047 20 0 FEADLM COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000535402211 562557820 /nfs/dbraw/zinc/55/78/20/562557820.db2.gz QZLPZKIQMGAORD-UHFFFAOYSA-N -1 2 353.327 2.111 20 0 FEADLM CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000818475614 597232237 /nfs/dbraw/zinc/23/22/37/597232237.db2.gz NFYBZPYPTWYCKJ-UHFFFAOYSA-N -1 2 372.406 2.437 20 0 FEADLM COC(=O)c1c(F)cccc1NS(=O)(=O)c1ccsc1C(=O)[O-] ZINC000737652304 599852094 /nfs/dbraw/zinc/85/20/94/599852094.db2.gz VVTJLHFXFUBXTF-UHFFFAOYSA-N -1 2 359.356 2.173 20 0 FEADLM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)n(-c2ccccn2)n1 ZINC000550804987 600051341 /nfs/dbraw/zinc/05/13/41/600051341.db2.gz RQBJHFDUBFJFLR-UHFFFAOYSA-N -1 2 358.379 2.075 20 0 FEADLM CCOC(=O)c1csc(NS(=O)(=O)c2cccc(C)c2C(=O)[O-])n1 ZINC000737154633 600051642 /nfs/dbraw/zinc/05/16/42/600051642.db2.gz FVFBMDBHUCRIDB-UHFFFAOYSA-N -1 2 370.408 2.127 20 0 FEADLM Cc1ccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)cc1C(F)(F)F ZINC000324652152 600673351 /nfs/dbraw/zinc/67/33/51/600673351.db2.gz ZZDJOGMVKGIJMJ-UHFFFAOYSA-N -1 2 363.317 2.096 20 0 FEADLM CC(C)CCOc1cccc(NS(=O)(=O)c2cnn(CC(=O)[O-])c2)c1 ZINC000826861510 600677770 /nfs/dbraw/zinc/67/77/70/600677770.db2.gz WKIIBIQNMXYYGI-UHFFFAOYSA-N -1 2 367.427 2.193 20 0 FEADLM Cc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)n(-c2ccccn2)n1 ZINC000559625490 600826998 /nfs/dbraw/zinc/82/69/98/600826998.db2.gz LXXYVVGBNMXRHY-UHFFFAOYSA-N -1 2 372.406 2.383 20 0 FEADLM COc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(OC)n1 ZINC000620710198 601327263 /nfs/dbraw/zinc/32/72/63/601327263.db2.gz DVDWVNGVKDLQRY-UHFFFAOYSA-N -1 2 366.395 2.215 20 0 FEADLM COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1ccc(/C=C\C(=O)[O-])cc1 ZINC000831218442 601331605 /nfs/dbraw/zinc/33/16/05/601331605.db2.gz NKKPMFNKVJTWEV-YVMONPNESA-N -1 2 364.379 2.008 20 0 FEADLM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(SC)nc1 ZINC000832204285 601360384 /nfs/dbraw/zinc/36/03/84/601360384.db2.gz ZLOTWWSSNMNOIM-UHFFFAOYSA-N -1 2 354.409 2.311 20 0 FEADLM CN1CCOc2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])s3)cc21 ZINC000830965693 601362853 /nfs/dbraw/zinc/36/28/53/601362853.db2.gz UMABHITVZNMVLJ-UHFFFAOYSA-N -1 2 354.409 2.076 20 0 FEADLM O=C([O-])c1nscc1S(=O)(=O)Nc1cccc(Br)c1 ZINC000833346544 601830746 /nfs/dbraw/zinc/83/07/46/601830746.db2.gz RKHIAQIXSKWGFL-UHFFFAOYSA-N -1 2 363.214 2.405 20 0 FEADLM CCN1CCc2ccc(NS(=O)(=O)c3csnc3C(=O)[O-])cc21 ZINC000829786654 601840825 /nfs/dbraw/zinc/84/08/25/601840825.db2.gz QARFSOQVFUGEOD-UHFFFAOYSA-N -1 2 353.425 2.025 20 0 FEADLM Cc1c(NS(=O)(=O)c2ccc(OCCC(=O)[O-])cc2)[nH]nc1C1CC1 ZINC000832853679 602103633 /nfs/dbraw/zinc/10/36/33/602103633.db2.gz SMCBBSDIOPMFFL-UHFFFAOYSA-N -1 2 365.411 2.250 20 0 FEADLM CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(F)c2)c(F)c1 ZINC000327755977 602320705 /nfs/dbraw/zinc/32/07/05/602320705.db2.gz MKVDONIXKVDERJ-UHFFFAOYSA-N -1 2 370.333 2.422 20 0 FEADLM O=C([O-])NCCOc1cccc(NS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000740668694 602447899 /nfs/dbraw/zinc/44/78/99/602447899.db2.gz SIRYRIZKKIZUMV-UHFFFAOYSA-N -1 2 372.349 2.412 20 0 FEADLM CC(C)n1cc(S(=O)(=O)Nc2cccc3c2CCN(C(=O)[O-])C3)cn1 ZINC000738887057 603230066 /nfs/dbraw/zinc/23/00/66/603230066.db2.gz VTKSVPVAJQWYEF-UHFFFAOYSA-N -1 2 364.427 2.301 20 0 FEADLM COc1ccc(S(=O)(=O)Nc2c(C)cccc2O)c(OC)c1C(=O)[O-] ZINC000833734436 605202767 /nfs/dbraw/zinc/20/27/67/605202767.db2.gz DVKCJSZBOZUPFE-UHFFFAOYSA-N -1 2 367.379 2.217 20 0 FEADLM O=C([O-])NCCOc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000834245580 606081355 /nfs/dbraw/zinc/08/13/55/606081355.db2.gz MTKQPHJVOALXOS-UHFFFAOYSA-N -1 2 372.349 2.412 20 0 FEADLM CCn1cc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)cc1C(=O)[O-] ZINC000187737194 672576484 /nfs/dbraw/zinc/57/64/84/672576484.db2.gz PQMJUYLBLUPZBW-SNVBAGLBSA-N -1 2 352.416 2.175 20 0 FEADLM Cc1ccc(C[C@@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)C(=O)[O-])cc1 ZINC000274929735 672955452 /nfs/dbraw/zinc/95/54/52/672955452.db2.gz CQHIBMJVLXWHDW-JQWIXIFHSA-N -1 2 353.362 2.109 20 0 FEADLM N#Cc1c(F)cccc1S(=O)(=O)Nc1cc(F)c(F)cc1C(=O)[O-] ZINC000324785712 673047615 /nfs/dbraw/zinc/04/76/15/673047615.db2.gz HZKNDZWQQCOGDW-UHFFFAOYSA-N -1 2 356.281 2.475 20 0 FEADLM O=C([O-])CCOc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1 ZINC000739672108 673634104 /nfs/dbraw/zinc/63/41/04/673634104.db2.gz QVNFQUZZQZWTQZ-UHFFFAOYSA-N -1 2 356.787 2.389 20 0 FEADLM C[C@H](C(F)(F)F)S(=O)(=O)NC[C@@H](Cc1ccccc1Cl)C(=O)[O-] ZINC000548535173 673967410 /nfs/dbraw/zinc/96/74/10/673967410.db2.gz LWMNYPXPRVEVPA-PSASIEDQSA-N -1 2 373.780 2.454 20 0 FEADLM Cc1c(F)cc(C(=O)[O-])cc1S(=O)(=O)Nc1cnn(CC2CC2)c1 ZINC000608343501 675889296 /nfs/dbraw/zinc/88/92/96/675889296.db2.gz ACWVTFCOZCMBTF-UHFFFAOYSA-N -1 2 353.375 2.240 20 0 FEADLM Cc1c(S(=O)(=O)Nc2cccc(C)c2C(=O)[O-])coc1C(=O)N(C)C ZINC000647127333 677295705 /nfs/dbraw/zinc/29/57/05/677295705.db2.gz HXWLGYPDOFHHET-UHFFFAOYSA-N -1 2 366.395 2.097 20 0 FEADLM COC(=O)c1sccc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1C ZINC000014097380 539595021 /nfs/dbraw/zinc/59/50/21/539595021.db2.gz JJVSCHIPGUQADK-UHFFFAOYSA-N -1 2 355.393 2.342 20 0 FEADLM COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cccc(F)c1C(=O)[O-] ZINC000047202349 540296511 /nfs/dbraw/zinc/29/65/11/540296511.db2.gz JJVZKNYWJOORAU-UHFFFAOYSA-N -1 2 370.314 2.242 20 0 FEADLM Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000072066837 541782678 /nfs/dbraw/zinc/78/26/78/541782678.db2.gz PSGWXWRZPMDDCY-UHFFFAOYSA-N -1 2 360.395 2.316 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2cnc3c(c2)c(C)nn3C)sc1C(=O)[O-] ZINC000107819646 543278904 /nfs/dbraw/zinc/27/89/04/543278904.db2.gz WIKPCHLRAATJGC-UHFFFAOYSA-N -1 2 366.424 2.146 20 0 FEADLM CCOc1ccc(OC)cc1NS(=O)(=O)c1cc(C(=O)[O-])oc1C ZINC000266778929 329259087 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O=C([O-])c1cccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)c1 ZINC000491456519 561445696 /nfs/dbraw/zinc/44/56/96/561445696.db2.gz LSDFUHSOGQVCPF-UHFFFAOYSA-N -1 2 357.391 2.430 20 0 FEADLM Cc1nn(C)cc1S(=O)(=O)Nc1ccc(S[C@@H](C)C(=O)[O-])cc1 ZINC000287636965 552028718 /nfs/dbraw/zinc/02/87/18/552028718.db2.gz UHDAOPZXNHIJSX-JTQLQIEISA-N -1 2 355.441 2.095 20 0 FEADLM COC(=O)c1sccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000499501649 561552481 /nfs/dbraw/zinc/55/24/81/561552481.db2.gz IHHDAESZPMVPCN-UHFFFAOYSA-N -1 2 355.393 2.342 20 0 FEADLM C[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000293837310 552861080 /nfs/dbraw/zinc/86/10/80/552861080.db2.gz IRBYSXGYLBKUBF-RDDDGLTNSA-N -1 2 366.286 2.342 20 0 FEADLM CCn1cc(S(=O)(=O)Nc2cccc(C)c2C(=O)OC)cc1C(=O)[O-] ZINC000504285684 561655508 /nfs/dbraw/zinc/65/55/08/561655508.db2.gz CXXREQDZTIHMBJ-UHFFFAOYSA-N -1 2 366.395 2.102 20 0 FEADLM COc1cc(NS(=O)(=O)c2ccoc2)c(C(=O)[O-])cc1OC(F)F ZINC000504679935 561661190 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CCOc1nc2cc(C(=O)NCc3cccnc3-n3cc[nH+]c3)ccc2[nH]1 ZINC000377621053 558379110 /nfs/dbraw/zinc/37/91/10/558379110.db2.gz FQZYEJQUQHJOIN-UHFFFAOYSA-N -1 2 362.393 2.472 20 0 FEADLM Cc1cc(S(=O)(=O)Nc2ccc3oc(=O)n(C)c3c2)sc1C(=O)[O-] ZINC000523288094 562210457 /nfs/dbraw/zinc/21/04/57/562210457.db2.gz VOELKOPECNAPOV-UHFFFAOYSA-N -1 2 368.392 2.000 20 0 FEADLM COc1cc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(OC)cc1Cl ZINC000390252399 558611112 /nfs/dbraw/zinc/61/11/12/558611112.db2.gz FMDKFSFDGOENJB-UHFFFAOYSA-N -1 2 360.775 2.184 20 0 FEADLM CCOc1ccc(F)c(C(=O)[O-])c1NS(=O)(=O)c1cncc(OC)c1 ZINC000410380817 558754245 /nfs/dbraw/zinc/75/42/45/558754245.db2.gz VIYNRLVGYYSXJH-UHFFFAOYSA-N -1 2 370.358 2.127 20 0 FEADLM COc1cc(C(=O)[O-])c(F)cc1NS(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421162585 559527745 /nfs/dbraw/zinc/52/77/45/559527745.db2.gz ZOMJRWHMZXRWNK-SNVBAGLBSA-N -1 2 363.407 2.335 20 0 FEADLM Cc1cc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(F)c2)nn1C(C)C ZINC000421187780 559529968 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C[N@@H+](Cc1cc(=O)[nH]c(C2CC2)n1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000459339304 560681039 /nfs/dbraw/zinc/68/10/39/560681039.db2.gz HSBSJVRFBPZEDI-INIZCTEOSA-N -1 2 356.401 2.436 20 0 FEADLM COc1ccccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC000467298596 560908163 /nfs/dbraw/zinc/90/81/63/560908163.db2.gz FLPMWJMHZHIZMC-UHFFFAOYSA-N -1 2 367.379 2.211 20 0 FEADLM COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c(F)c1 ZINC000530284731 562405426 /nfs/dbraw/zinc/40/54/26/562405426.db2.gz LTDNPOALHPEGMX-UHFFFAOYSA-N -1 2 353.327 2.111 20 0 FEADLM CCn1cc(NS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)cn1 ZINC000533166369 562500131 /nfs/dbraw/zinc/50/01/31/562500131.db2.gz CGBLLDABEKOQQR-UHFFFAOYSA-N -1 2 363.317 2.421 20 0 FEADLM Cc1sc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C(F)(F)F)[nH]n1 ZINC000534792722 562542522 /nfs/dbraw/zinc/54/25/22/562542522.db2.gz IZVCLCPVBRNTPW-UHFFFAOYSA-N -1 2 355.319 2.297 20 0 FEADLM Cc1c(S(=O)(=O)Nc2ccc(CC(=O)[O-])cc2)cnn1-c1ccccn1 ZINC000545830296 562630926 /nfs/dbraw/zinc/63/09/26/562630926.db2.gz TYRJNZGCIPOMBZ-UHFFFAOYSA-N -1 2 372.406 2.004 20 0 FEADLM COc1ccc(-c2cc3[nH]c(CN(C)CC(=O)[O-])nc(=O)c3s2)cc1 ZINC000738083169 596905949 /nfs/dbraw/zinc/90/59/49/596905949.db2.gz VRMSXMQYHBPZGP-UHFFFAOYSA-N -1 2 359.407 2.177 20 0 FEADLM COC(=O)c1cc(C(=O)[O-])cc(S(=O)(=O)Nc2nc(C)c(C)s2)c1 ZINC000737653307 599874427 /nfs/dbraw/zinc/87/44/27/599874427.db2.gz GJNAGSLPRYIXNM-UHFFFAOYSA-N -1 2 370.408 2.046 20 0 FEADLM O=C([O-])[C@H](CNC(=O)c1c(O)cc(F)cc1F)Cc1cccc(F)c1 ZINC000739409172 599983886 /nfs/dbraw/zinc/98/38/86/599983886.db2.gz SABWBLAWJFQGPB-JTQLQIEISA-N -1 2 353.296 2.483 20 0 FEADLM Cc1cccc(S(=O)(=O)Nc2cnn(Cc3ccccn3)c2)c1C(=O)[O-] ZINC000738746791 600023769 /nfs/dbraw/zinc/02/37/69/600023769.db2.gz LISLOYKRLUTCIO-UHFFFAOYSA-N -1 2 372.406 2.134 20 0 FEADLM COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2nccs2)c1OC ZINC000737870155 600051741 /nfs/dbraw/zinc/05/17/41/600051741.db2.gz DUPHDDIQQTZTHW-ONEGZZNKSA-N -1 2 370.408 2.059 20 0 FEADLM O=C([O-])c1ccc(N2CCCC2)c(NS(=O)(=O)c2cncc(F)c2)c1 ZINC000740146926 600104230 /nfs/dbraw/zinc/10/42/30/600104230.db2.gz XFOYHYGIIMGMMH-UHFFFAOYSA-N -1 2 365.386 2.320 20 0 FEADLM CCn1c(=O)c2ccc(C(=O)Nc3cc(C)[nH]c3C(=O)[O-])cc2[nH]c1=S ZINC000737295513 600257186 /nfs/dbraw/zinc/25/71/86/600257186.db2.gz JEHVSEWGAIGECU-UHFFFAOYSA-N -1 2 372.406 2.292 20 0 FEADLM Cc1cccc(S(=O)(=O)Nc2nc3c(s2)COCC3)c1C(=O)[O-] ZINC000738746637 600473180 /nfs/dbraw/zinc/47/31/80/600473180.db2.gz ILSIFVVKYJSLCY-UHFFFAOYSA-N -1 2 354.409 2.023 20 0 FEADLM Cc1ccc(S(=O)(=O)Nc2ncn(Cc3ccccc3)n2)cc1C(=O)[O-] ZINC000832956678 600828475 /nfs/dbraw/zinc/82/84/75/600828475.db2.gz QVUJEAMSCSXGDM-UHFFFAOYSA-N -1 2 372.406 2.134 20 0 FEADLM Cc1c(S(=O)(=O)Nc2ccsc2C(=O)[O-])cnn1-c1ccccn1 ZINC000738305301 601120472 /nfs/dbraw/zinc/12/04/72/601120472.db2.gz MIXPTFZSKLMQQB-UHFFFAOYSA-N -1 2 364.408 2.136 20 0 FEADLM O=C([O-])[C@H](CNC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccccc1 ZINC000833132516 601757848 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