smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1nnnc1-c1cccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC000010091473 1079450163 /nfs/dbraw/zinc/45/01/63/1079450163.db2.gz PASKKQISIRXXDE-UHFFFAOYSA-N -1 3 406.200 0.128 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000010205082 1078898010 /nfs/dbraw/zinc/89/80/10/1078898010.db2.gz OZJZGQPOZQBKNN-UHFFFAOYSA-N -1 3 407.224 0.830 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCc1ccc(-n2cccn2)cc1 ZINC000010222654 1079451947 /nfs/dbraw/zinc/45/19/47/1079451947.db2.gz CKUSAXQRORAJOR-UHFFFAOYSA-N -1 3 418.251 0.844 20 0 HCADHM Cc1cccc(N2CCN(C(=O)Cn3cc(Br)c(=O)[n-]c3=O)CC2)c1 ZINC000010262434 1079451869 /nfs/dbraw/zinc/45/18/69/1079451869.db2.gz FTCDRYNYDZYKHN-UHFFFAOYSA-N -1 3 407.268 0.956 20 0 HCADHM CN(CCOc1ccc(F)cc1)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000010280807 1079451811 /nfs/dbraw/zinc/45/18/11/1079451811.db2.gz HTJVFSPGFPJESV-UHFFFAOYSA-N -1 3 400.204 0.976 20 0 HCADHM CN(CCOc1ccccc1F)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000010357767 1079452491 /nfs/dbraw/zinc/45/24/91/1079452491.db2.gz GOHDKDQCDFKCFB-UHFFFAOYSA-N -1 3 400.204 0.976 20 0 HCADHM CS(=O)(=O)Nc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000011144320 1079457484 /nfs/dbraw/zinc/45/74/84/1079457484.db2.gz COSRVPBRDPPJAE-UHFFFAOYSA-N -1 3 417.241 0.309 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCc1cnn(-c2ccccc2)c1 ZINC000011165675 1079457468 /nfs/dbraw/zinc/45/74/68/1079457468.db2.gz DSXGFNVWPCRZNB-UHFFFAOYSA-N -1 3 418.251 0.844 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCCc1nc2ccccc2[nH]1 ZINC000011486258 1079459265 /nfs/dbraw/zinc/45/92/65/1079459265.db2.gz WCJSUNJZHSMIFA-UHFFFAOYSA-N -1 3 406.240 0.924 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1cnn(-c2ccccc2)c1 ZINC000011565393 1079461845 /nfs/dbraw/zinc/46/18/45/1079461845.db2.gz XPPRIDMZWFQKFB-UHFFFAOYSA-N -1 3 404.224 0.801 20 0 HCADHM Cc1nc2ccccc2n1CCNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000012735197 1079464330 /nfs/dbraw/zinc/46/43/30/1079464330.db2.gz LHHVZLGQSSTZJH-UHFFFAOYSA-N -1 3 406.240 0.774 20 0 HCADHM CS(=O)(=O)c1cccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC000012829424 1079465118 /nfs/dbraw/zinc/46/51/18/1079465118.db2.gz GWXCWAAVOQWMBF-UHFFFAOYSA-N -1 3 402.226 0.341 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000014259700 1079478352 /nfs/dbraw/zinc/47/83/52/1079478352.db2.gz GCLYGGTXYNWBRU-UHFFFAOYSA-N -1 3 411.231 0.787 20 0 HCADHM COc1ccc(CCNC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1OC ZINC000014282727 1081089684 /nfs/dbraw/zinc/08/96/84/1081089684.db2.gz WSJXQTSKWRWRTR-UHFFFAOYSA-N -1 3 412.240 0.675 20 0 HCADHM CCc1ccccc1NC(=O)CN(C)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000014402690 1079466419 /nfs/dbraw/zinc/46/64/19/1079466419.db2.gz RZTLPBLDSDVSFO-UHFFFAOYSA-N -1 3 423.267 0.959 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCCCn1cnc2ccccc21 ZINC000014525968 1079466199 /nfs/dbraw/zinc/46/61/99/1079466199.db2.gz NORQWHQZPYOPTB-UHFFFAOYSA-N -1 3 406.240 0.855 20 0 HCADHM COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)[N-]NC(=O)c1ccncc1 ZINC000015628491 1079566137 /nfs/dbraw/zinc/56/61/37/1079566137.db2.gz SGAGQFMUKYRTFC-UHFFFAOYSA-N -1 3 420.447 0.186 20 0 HCADHM CC(=O)c1sc2[n-]c(Cn3cnc4c3c(=O)n(C)c(=O)n4C)nc(=O)c2c1C ZINC000016056351 1079475164 /nfs/dbraw/zinc/47/51/64/1079475164.db2.gz FUEGXNUYRJGXGA-UHFFFAOYSA-N -1 3 400.420 0.291 20 0 HCADHM COC(=O)c1sc2[n-]c(CN3CCN(C(=O)[C@@H]4CCCO4)CC3)nc(=O)c2c1C ZINC000016629284 1079481391 /nfs/dbraw/zinc/48/13/91/1079481391.db2.gz VTUCPRQAHBWKIW-LBPRGKRZSA-N -1 3 420.491 0.903 20 0 HCADHM COC(=O)c1sc2[n-]c(CN3CCN(C(=O)[C@H]4CCCO4)CC3)nc(=O)c2c1C ZINC000016629286 1079481445 /nfs/dbraw/zinc/48/14/45/1079481445.db2.gz VTUCPRQAHBWKIW-GFCCVEGCSA-N -1 3 420.491 0.903 20 0 HCADHM COc1ccccc1N1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000016969172 1079483031 /nfs/dbraw/zinc/48/30/31/1079483031.db2.gz QVOGJKNRWDZPQH-UHFFFAOYSA-N -1 3 423.267 0.657 20 0 HCADHM COc1cc2c(cc1OC)CN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)CC2 ZINC000016972069 1079482866 /nfs/dbraw/zinc/48/28/66/1079482866.db2.gz GYYRWQIDGFWYCJ-UHFFFAOYSA-N -1 3 424.251 0.901 20 0 HCADHM COc1ccc(C(=O)[N-]N2C(=O)NC3(CCCCC3)C2=O)cc1S(=O)(=O)N(C)C ZINC000017114338 1079674173 /nfs/dbraw/zinc/67/41/73/1079674173.db2.gz QPTLDYRQKDZOGQ-UHFFFAOYSA-N -1 3 424.479 0.845 20 0 HCADHM COc1ccccc1N1CCN(C(=O)C[N-]S(=O)(=O)c2c(C)noc2C)CC1 ZINC000017333595 1079485021 /nfs/dbraw/zinc/48/50/21/1079485021.db2.gz UNXKFSGFBLBJEC-UHFFFAOYSA-N -1 3 408.480 0.927 20 0 HCADHM Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NNC(=O)c1ccccc1[O-] ZINC000017574095 1079703317 /nfs/dbraw/zinc/70/33/17/1079703317.db2.gz RDRRVMFASKCYMK-UHFFFAOYSA-N -1 3 419.459 0.796 20 0 HCADHM COC(=O)CSCc1nc(=O)c2c(CC(=O)OC)c(C(=O)OC)sc2[n-]1 ZINC000017673656 1079249885 /nfs/dbraw/zinc/24/98/85/1079249885.db2.gz IVQMOZLLMVMTKH-UHFFFAOYSA-N -1 3 400.434 0.893 20 0 HCADHM COC(=O)c1sc2[n-]c(CN3CCN(CC(=O)NC(C)C)CC3)nc(=O)c2c1C ZINC000020806195 1079494180 /nfs/dbraw/zinc/49/41/80/1079494180.db2.gz QWVPWOBWZXYEEN-UHFFFAOYSA-N -1 3 421.523 0.722 20 0 HCADHM COC(=O)c1sc2[n-]c(CN3CCN(CC(=O)N(C)C)CC3)nc(=O)c2c1C ZINC000020811093 1081365667 /nfs/dbraw/zinc/36/56/67/1081365667.db2.gz ULXXRXWXTSNYPR-UHFFFAOYSA-N -1 3 407.496 0.285 20 0 HCADHM CCOC(=O)Cc1csc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)n1 ZINC000021488500 1079497476 /nfs/dbraw/zinc/49/74/76/1079497476.db2.gz FAKKYEBQQVRUHE-UHFFFAOYSA-N -1 3 417.241 0.500 20 0 HCADHM Cc1ccccc1N1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000022229282 1079499573 /nfs/dbraw/zinc/49/95/73/1079499573.db2.gz ITCBIWHTOAVMMZ-UHFFFAOYSA-N -1 3 407.268 0.956 20 0 HCADHM C[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccc(-n2cncn2)cc1 ZINC000022238095 1079500436 /nfs/dbraw/zinc/50/04/36/1079500436.db2.gz DIUHWCKKVFVELI-SNVBAGLBSA-N -1 3 419.239 0.757 20 0 HCADHM C[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccc(-n2cncn2)cc1 ZINC000022238096 1079500389 /nfs/dbraw/zinc/50/03/89/1079500389.db2.gz DIUHWCKKVFVELI-JTQLQIEISA-N -1 3 419.239 0.757 20 0 HCADHM CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)Nc3ncccc3[O-])c2)CC1 ZINC000022262205 1079500351 /nfs/dbraw/zinc/50/03/51/1079500351.db2.gz NARKVIDFQBXREF-UHFFFAOYSA-N -1 3 404.448 0.892 20 0 HCADHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000022381573 1079500746 /nfs/dbraw/zinc/50/07/46/1079500746.db2.gz LIBXHZDSHAARDU-INIZCTEOSA-N -1 3 403.483 0.860 20 0 HCADHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NC[C@H](c1ccco1)N(C)C ZINC000022381577 1079500788 /nfs/dbraw/zinc/50/07/88/1079500788.db2.gz LIBXHZDSHAARDU-MRXNPFEDSA-N -1 3 403.483 0.860 20 0 HCADHM COC(=O)c1cc(CN(C)C(=O)Cn2cc(Br)c(=O)[n-]c2=O)oc1C ZINC000022426880 1079500963 /nfs/dbraw/zinc/50/09/63/1079500963.db2.gz IPNYEECJFNLORO-UHFFFAOYSA-N -1 3 414.212 0.646 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1ccccc1Cn1cccn1 ZINC000022429407 1079500940 /nfs/dbraw/zinc/50/09/40/1079500940.db2.gz QDCJWKVWOOVUPT-UHFFFAOYSA-N -1 3 418.251 0.860 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000022485009 1079501288 /nfs/dbraw/zinc/50/12/88/1079501288.db2.gz NLEGKVPNLGQUOD-ZDUSSCGKSA-N -1 3 423.495 0.506 20 0 HCADHM Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCc1cn2ccccc2n1 ZINC000023320312 1079509171 /nfs/dbraw/zinc/50/91/71/1079509171.db2.gz CCFHYAANXRJCJD-UHFFFAOYSA-N -1 3 410.478 0.854 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000023536419 1079510885 /nfs/dbraw/zinc/51/08/85/1079510885.db2.gz BJEFECJUQYQCOL-UHFFFAOYSA-N -1 3 421.251 0.284 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1ccc(Cn2cncn2)cc1 ZINC000024630247 1079518311 /nfs/dbraw/zinc/51/83/11/1079518311.db2.gz MMMGMWCGXAAOHI-UHFFFAOYSA-N -1 3 405.212 0.578 20 0 HCADHM CN(CC(=O)Nc1cccc(F)c1)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000024678331 1079519886 /nfs/dbraw/zinc/51/98/86/1079519886.db2.gz NAMLLDKEFATOFT-UHFFFAOYSA-N -1 3 413.203 0.535 20 0 HCADHM CCN(CC)[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(OC)c1 ZINC000024711508 1079522893 /nfs/dbraw/zinc/52/28/93/1079522893.db2.gz HFNTZDPBZVKCFT-INIZCTEOSA-N -1 3 424.523 0.454 20 0 HCADHM CCN(CC)[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)c1cccc(OC)c1 ZINC000024711512 1079523007 /nfs/dbraw/zinc/52/30/07/1079523007.db2.gz HFNTZDPBZVKCFT-MRXNPFEDSA-N -1 3 424.523 0.454 20 0 HCADHM Cc1cccc(C)c1NC(=O)CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000024815273 1079526379 /nfs/dbraw/zinc/52/63/79/1079526379.db2.gz RDDQTUGEPOHINH-UHFFFAOYSA-N -1 3 409.240 0.671 20 0 HCADHM Cn1c(=O)c2cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cnc2n(C)c1=O ZINC000024894674 1079528357 /nfs/dbraw/zinc/52/83/57/1079528357.db2.gz OCOLWZOKHZXNKI-UHFFFAOYSA-N -1 3 403.420 0.256 20 0 HCADHM Cn1c(=O)c2ccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)nc2n(C)c1=O ZINC000024896973 1079528401 /nfs/dbraw/zinc/52/84/01/1079528401.db2.gz NZBRWVFIINAXGL-UHFFFAOYSA-N -1 3 403.420 0.256 20 0 HCADHM O=C(COC(=O)CN1C(=O)c2ccccc2S1(=O)=O)[N-]C(=O)c1cccs1 ZINC000025578208 1078018733 /nfs/dbraw/zinc/01/87/33/1078018733.db2.gz OJOOYWAONHEURH-UHFFFAOYSA-N -1 3 408.413 0.392 20 0 HCADHM CC(C)(C)CC(=O)N1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000025787885 1078024934 /nfs/dbraw/zinc/02/49/34/1078024934.db2.gz JLRJDNLIODMNHP-UHFFFAOYSA-N -1 3 415.288 0.406 20 0 HCADHM CCC(CC)C(=O)N1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000025826471 1078026240 /nfs/dbraw/zinc/02/62/40/1078026240.db2.gz MDOKJWWKPIQHQO-UHFFFAOYSA-N -1 3 415.288 0.406 20 0 HCADHM CNS(=O)(=O)c1cccc(C(=O)[N-]N2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 ZINC000025875768 1078027699 /nfs/dbraw/zinc/02/76/99/1078027699.db2.gz GNFGUJDQEGJGKF-GOSISDBHSA-N -1 3 402.432 0.707 20 0 HCADHM COc1cc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc(OC)c1OC ZINC000025970581 1079588708 /nfs/dbraw/zinc/58/87/08/1079588708.db2.gz BJHVOHFTBSRHNV-UHFFFAOYSA-N -1 3 414.212 0.964 20 0 HCADHM CC[C@@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)N1CCc2ccccc2C1 ZINC000026844039 1079597634 /nfs/dbraw/zinc/59/76/34/1079597634.db2.gz ZAPLDWFHEAVASU-INIZCTEOSA-N -1 3 406.508 0.199 20 0 HCADHM CC[C@H](C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O)N1CCc2ccccc2C1 ZINC000026844048 1079597854 /nfs/dbraw/zinc/59/78/54/1079597854.db2.gz ZAPLDWFHEAVASU-MRXNPFEDSA-N -1 3 406.508 0.199 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000027156567 1079603159 /nfs/dbraw/zinc/60/31/59/1079603159.db2.gz DVXIXDZHQHMDOC-LBPRGKRZSA-N -1 3 410.452 0.536 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@@H]1CCN(c2ccccc2)C1 ZINC000027830079 1079618573 /nfs/dbraw/zinc/61/85/73/1079618573.db2.gz VNXVDRCCOHWQBG-LBPRGKRZSA-N -1 3 407.268 0.942 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000027830087 1079618333 /nfs/dbraw/zinc/61/83/33/1079618333.db2.gz VNXVDRCCOHWQBG-GFCCVEGCSA-N -1 3 407.268 0.942 20 0 HCADHM Cn1cc(S(=O)(=O)[N-]CC(C)(C)N2CCc3ccccc3C2)c(=O)n(C)c1=O ZINC000028059844 1079624363 /nfs/dbraw/zinc/62/43/63/1079624363.db2.gz WBDMIQRPFFAEPO-UHFFFAOYSA-N -1 3 406.508 0.199 20 0 HCADHM O=C(CN1CCN(Cc2nc3c4ccccc4oc3c(=O)[n-]2)CC1)N1CCOCC1 ZINC000028729348 1079634727 /nfs/dbraw/zinc/63/47/27/1079634727.db2.gz CVSLQSQJJPGHEH-UHFFFAOYSA-N -1 3 411.462 0.646 20 0 HCADHM 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HCADHM CNS(=O)(=O)c1cc(C(=O)NCCNC(=O)c2ccc([O-])cc2)ccc1OC ZINC000053742103 1077890327 /nfs/dbraw/zinc/89/03/27/1077890327.db2.gz CEPGWRWYKJVZBX-UHFFFAOYSA-N -1 3 407.448 0.469 20 0 HCADHM O=C(NCCNC(=O)C1CCN(c2ccc3nncn3n2)CC1)c1ccc([O-])cc1 ZINC000053742381 1077893750 /nfs/dbraw/zinc/89/37/50/1077893750.db2.gz KKJBYFHUQZWQPN-UHFFFAOYSA-N -1 3 409.450 0.593 20 0 HCADHM CN(C)C(=O)Cc1ccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)cc1 ZINC000053797128 1077900102 /nfs/dbraw/zinc/90/01/02/1077900102.db2.gz KUOOTQPBSCXPLF-UHFFFAOYSA-N -1 3 409.240 0.569 20 0 HCADHM COCCNS(=O)(=O)c1ccc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)cc1 ZINC000053874963 1078009449 /nfs/dbraw/zinc/00/94/49/1078009449.db2.gz SRCHYPIEEXGRES-UHFFFAOYSA-N -1 3 408.480 0.170 20 0 HCADHM O=C(NCCCn1nc2n(c1=O)CCCC2)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000053989347 1078010379 /nfs/dbraw/zinc/01/03/79/1078010379.db2.gz RPFJWYJAYLMYIU-MRXNPFEDSA-N -1 3 413.478 0.898 20 0 HCADHM O=C(NCCCn1nc2n(c1=O)CCCC2)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000053989348 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0.436 20 0 HCADHM CS(=O)(=O)Nc1ccc([O-])c(C(=O)NCc2cccnc2N2CCOCC2)c1 ZINC000055215629 1080074161 /nfs/dbraw/zinc/07/41/61/1080074161.db2.gz PAGKFHHFJZPFFT-UHFFFAOYSA-N -1 3 406.464 0.925 20 0 HCADHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c1 ZINC000055224810 1078024454 /nfs/dbraw/zinc/02/44/54/1078024454.db2.gz MADACMKNBVHPMO-UHFFFAOYSA-N -1 3 404.448 0.892 20 0 HCADHM CC(=O)Nc1ccc([O-])c(C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 ZINC000055286852 1078024150 /nfs/dbraw/zinc/02/41/50/1078024150.db2.gz ROWMUELALWJELK-UHFFFAOYSA-N -1 3 410.430 0.853 20 0 HCADHM C[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)NCc1ccccc1 ZINC000055348982 1078025975 /nfs/dbraw/zinc/02/59/75/1078025975.db2.gz LZFOJHGEHVJRMF-JTQLQIEISA-N -1 3 409.240 0.120 20 0 HCADHM C[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)NCc1ccccc1 ZINC000055348983 1078026109 /nfs/dbraw/zinc/02/61/09/1078026109.db2.gz LZFOJHGEHVJRMF-SNVBAGLBSA-N -1 3 409.240 0.120 20 0 HCADHM 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O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1ccccc1-n1ccnc1 ZINC000055696590 1078031444 /nfs/dbraw/zinc/03/14/44/1078031444.db2.gz VWYJXXIXFTUQPK-UHFFFAOYSA-N -1 3 404.224 0.801 20 0 HCADHM NS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)s1 ZINC000055973299 1080228997 /nfs/dbraw/zinc/22/89/97/1080228997.db2.gz DCSRGRINFLIKQB-UHFFFAOYSA-N -1 3 419.481 0.898 20 0 HCADHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NCCS(N)(=O)=O ZINC000056850460 1080278950 /nfs/dbraw/zinc/27/89/50/1080278950.db2.gz KOSKKGRAGSVBFI-UHFFFAOYSA-N -1 3 415.468 0.953 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cn(CC(=O)N(C)C)nn2)cc1OC ZINC000056986026 1079862961 /nfs/dbraw/zinc/86/29/61/1079862961.db2.gz AXQYIEOGBQKJTE-UHFFFAOYSA-N -1 3 410.456 0.389 20 0 HCADHM CS(=O)(=O)c1ccc(Br)c(S(=O)(=O)[N-]N=c2nccc[nH]2)c1 ZINC000057117283 1080081461 /nfs/dbraw/zinc/08/14/61/1080081461.db2.gz ZSESNONQIIAMAO-UHFFFAOYSA-N -1 3 407.271 0.948 20 0 HCADHM CCN(CCCNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)S(C)(=O)=O ZINC000057147526 1079868782 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ARMVSWJTIHUFKH-UHFFFAOYSA-N -1 3 422.438 0.912 20 0 HCADHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCN2CCCS2(=O)=O)ccc1F ZINC000061597686 1073808323 /nfs/dbraw/zinc/80/83/23/1073808323.db2.gz VUCPJRGXGFIRGR-UHFFFAOYSA-N -1 3 405.473 0.055 20 0 HCADHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)NCCN2CCCS2(=O)=O)ccc1F ZINC000061597841 1073808316 /nfs/dbraw/zinc/80/83/16/1073808316.db2.gz SCIXMOQBYHWDIM-UHFFFAOYSA-N -1 3 407.489 0.278 20 0 HCADHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)NCCN2CCCS2(=O)=O)ccc1F ZINC000061597864 1073808331 /nfs/dbraw/zinc/80/83/31/1073808331.db2.gz XDLCOQISBYDSLR-UHFFFAOYSA-N -1 3 421.516 0.668 20 0 HCADHM O=C(NCCN1CCCS1(=O)=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000061651151 1073814227 /nfs/dbraw/zinc/81/42/27/1073814227.db2.gz RUCKODPKMPNULR-UHFFFAOYSA-N -1 3 405.473 0.032 20 0 HCADHM NS(=O)(=O)c1ccc(SCC(=O)OCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000061728893 1073850300 /nfs/dbraw/zinc/85/03/00/1073850300.db2.gz NHLAVOMBMHEPQW-UHFFFAOYSA-N -1 3 414.486 0.987 20 0 HCADHM 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20 0 HCADHM CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)[N-]S(=O)(=O)Cc2ccon2)c1 ZINC000462301608 1075337785 /nfs/dbraw/zinc/33/77/85/1075337785.db2.gz URDCQLJBSOTAMU-JTQLQIEISA-N -1 3 402.454 0.029 20 0 HCADHM CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)Cc2ccon2)c1 ZINC000462301612 1075337750 /nfs/dbraw/zinc/33/77/50/1075337750.db2.gz URDCQLJBSOTAMU-SNVBAGLBSA-N -1 3 402.454 0.029 20 0 HCADHM O=S(=O)(CC[N-]S(=O)(=O)c1cc(F)c(F)c(F)c1)N1CCSCC1 ZINC000462302847 1075341081 /nfs/dbraw/zinc/34/10/81/1075341081.db2.gz XXIMXJDPMMMJFO-UHFFFAOYSA-N -1 3 404.457 0.761 20 0 HCADHM C[C@H](CC(N)=O)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000462354859 1075365186 /nfs/dbraw/zinc/36/51/86/1075365186.db2.gz WJXXUPQOCKWRCD-MRVPVSSYSA-N -1 3 403.404 0.069 20 0 HCADHM C[C@@H](CC(N)=O)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000462354860 1075365037 /nfs/dbraw/zinc/36/50/37/1075365037.db2.gz WJXXUPQOCKWRCD-QMMMGPOBSA-N -1 3 403.404 0.069 20 0 HCADHM Cn1cc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(Br)cn3)C2=O)cn1 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RGPVIVPKUTWWGL-CQSZACIVSA-N -1 3 406.508 0.894 20 0 HCADHM COC(=O)c1ncsc1S(=O)(=O)[N-]C1CCN([C@@H]2CCCC[C@H]2O)CC1 ZINC000462654253 1075474468 /nfs/dbraw/zinc/47/44/68/1075474468.db2.gz DSWAFCXNZAUTSA-CHWSQXEVSA-N -1 3 403.526 0.976 20 0 HCADHM COC(=O)c1ncsc1S(=O)(=O)[N-]C1CCN([C@@H]2CCCC[C@@H]2O)CC1 ZINC000462654254 1075474453 /nfs/dbraw/zinc/47/44/53/1075474453.db2.gz DSWAFCXNZAUTSA-OLZOCXBDSA-N -1 3 403.526 0.976 20 0 HCADHM COC(=O)c1ncsc1S(=O)(=O)[N-]C1CCN([C@H]2CCCC[C@H]2O)CC1 ZINC000462654255 1075474595 /nfs/dbraw/zinc/47/45/95/1075474595.db2.gz DSWAFCXNZAUTSA-QWHCGFSZSA-N -1 3 403.526 0.976 20 0 HCADHM COC(=O)c1ncsc1S(=O)(=O)[N-]C1CCN([C@H]2CCCC[C@@H]2O)CC1 ZINC000462654256 1075474642 /nfs/dbraw/zinc/47/46/42/1075474642.db2.gz DSWAFCXNZAUTSA-STQMWFEESA-N -1 3 403.526 0.976 20 0 HCADHM COC(=O)c1ncsc1S(=O)(=O)[N-]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000462658578 1075471336 /nfs/dbraw/zinc/47/13/36/1075471336.db2.gz JTCGRWKRXGTLHG-KRWDZBQOSA-N -1 3 411.505 0.845 20 0 HCADHM 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0.744 20 0 HCADHM CCC(=O)N[C@@H](CCSC)C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000497517607 1078269461 /nfs/dbraw/zinc/26/94/61/1078269461.db2.gz BZWFRHNNQYZJNE-LBPRGKRZSA-N -1 3 421.479 0.744 20 0 HCADHM CC(C)(C)N1C[C@@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)CC1=O ZINC000497518594 1078269647 /nfs/dbraw/zinc/26/96/47/1078269647.db2.gz FPRQIMOGEDFZJS-JTQLQIEISA-N -1 3 401.423 0.743 20 0 HCADHM CC(C)(C)N1C[C@H](C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)CC1=O ZINC000497518595 1078269756 /nfs/dbraw/zinc/26/97/56/1078269756.db2.gz FPRQIMOGEDFZJS-SNVBAGLBSA-N -1 3 401.423 0.743 20 0 HCADHM O=C(CCNC(=O)Cc1ccccc1)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000497520594 1078269663 /nfs/dbraw/zinc/26/96/63/1078269663.db2.gz QHYXEUFOFJNZMV-UHFFFAOYSA-N -1 3 423.429 0.845 20 0 HCADHM O=C(CNC(=O)c1ccc(N2CCNC2=O)cc1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000497522901 1078270333 /nfs/dbraw/zinc/27/03/33/1078270333.db2.gz JOKOBFXEPQREFA-UHFFFAOYSA-N -1 3 422.401 0.939 20 0 HCADHM 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Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC(C)(C)c1noc(CN(C)C)n1 ZINC000498181664 1078387419 /nfs/dbraw/zinc/38/74/19/1078387419.db2.gz IAWLJZDKEMOGGE-JTQLQIEISA-N -1 3 414.488 0.454 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCC(C)C ZINC000498184132 1078388003 /nfs/dbraw/zinc/38/80/03/1078388003.db2.gz VJVZXBHCAIGITN-AAEUAGOBSA-N -1 3 418.541 0.632 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCC(C)C ZINC000498184133 1078388100 /nfs/dbraw/zinc/38/81/00/1078388100.db2.gz VJVZXBHCAIGITN-WCQYABFASA-N -1 3 418.541 0.632 20 0 HCADHM NC(=O)[C@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000498189778 1078392219 /nfs/dbraw/zinc/39/22/19/1078392219.db2.gz COZRDDCBUXAMFD-MRVPVSSYSA-N -1 3 410.315 0.655 20 0 HCADHM NC(=O)[C@@H]1CCCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000498189779 1078392147 /nfs/dbraw/zinc/39/21/47/1078392147.db2.gz COZRDDCBUXAMFD-QMMMGPOBSA-N -1 3 410.315 0.655 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCCc1nnc2n1CCCCC2 ZINC000498196983 1078394780 /nfs/dbraw/zinc/39/47/80/1078394780.db2.gz VHSGEZIEENYOJB-LBPRGKRZSA-N -1 3 410.500 0.635 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccnc1N1CCOCC1 ZINC000498225800 1078412968 /nfs/dbraw/zinc/41/29/68/1078412968.db2.gz JJQIFVQRYQJLAK-LBPRGKRZSA-N -1 3 409.468 0.829 20 0 HCADHM CCOC(=O)CC1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000498226593 1078411979 /nfs/dbraw/zinc/41/19/79/1078411979.db2.gz MSXXIBGDQWEENO-UHFFFAOYSA-N -1 3 402.245 0.903 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@@H](C(N)=O)Cc2ccccc21 ZINC000498236175 1078416303 /nfs/dbraw/zinc/41/63/03/1078416303.db2.gz GFXHZKSXGAQIMG-FZMZJTMJSA-N -1 3 406.464 0.649 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1C[C@H](C(N)=O)Cc2ccccc21 ZINC000498236176 1078416323 /nfs/dbraw/zinc/41/63/23/1078416323.db2.gz GFXHZKSXGAQIMG-SMDDNHRTSA-N -1 3 406.464 0.649 20 0 HCADHM CCN(C)C(=O)[C@H]1CSCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000498250227 1078434918 /nfs/dbraw/zinc/43/49/18/1078434918.db2.gz CATPIMMLMGADSF-CMPLNLGQSA-N -1 3 404.514 0.338 20 0 HCADHM CCN(C)C(=O)[C@@H]1CSCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000498250228 1078434880 /nfs/dbraw/zinc/43/48/80/1078434880.db2.gz CATPIMMLMGADSF-JQWIXIFHSA-N -1 3 404.514 0.338 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1ccccc1OCCC(N)=O ZINC000498259516 1078444040 /nfs/dbraw/zinc/44/40/40/1078444040.db2.gz VIWTYEREQXBXAK-NSHDSACASA-N -1 3 410.452 0.851 20 0 HCADHM CNC(=O)c1ccc(OC)c(NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000498271791 1078455427 /nfs/dbraw/zinc/45/54/27/1078455427.db2.gz JMROXIKQORDJBU-JTQLQIEISA-N -1 3 410.452 0.965 20 0 HCADHM COC(=O)CN(CCN1CCOCC1)C(=O)c1c[n-]c2c(F)cc(F)cc2c1=O ZINC000498277966 1078457471 /nfs/dbraw/zinc/45/74/71/1078457471.db2.gz UNYQDTFAJMSTIF-UHFFFAOYSA-N -1 3 409.389 0.754 20 0 HCADHM CCCCNC(=O)C1CCN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000498298680 1078465740 /nfs/dbraw/zinc/46/57/40/1078465740.db2.gz VVTROCJTUGQOSH-UHFFFAOYSA-N 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Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)C ZINC000498475299 1078643104 /nfs/dbraw/zinc/64/31/04/1078643104.db2.gz FAUPGRWTFCLLPV-BBRMVZONSA-N -1 3 422.507 0.774 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(=O)N(C)C ZINC000498475301 1078643045 /nfs/dbraw/zinc/64/30/45/1078643045.db2.gz FAUPGRWTFCLLPV-XJKSGUPXSA-N -1 3 422.507 0.774 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCN(C(=O)[C@@H](C)O)CC2)cc1OC ZINC000498492585 1078646167 /nfs/dbraw/zinc/64/61/67/1078646167.db2.gz ZYZNKOOVBIYZEQ-GFCCVEGCSA-N -1 3 414.484 0.514 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCN(C(=O)[C@H](C)O)CC2)cc1OC ZINC000498492592 1078646235 /nfs/dbraw/zinc/64/62/35/1078646235.db2.gz ZYZNKOOVBIYZEQ-LBPRGKRZSA-N -1 3 414.484 0.514 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000498498365 1078662302 /nfs/dbraw/zinc/66/23/02/1078662302.db2.gz VFRMQLUQLXAZHC-GOEBONIOSA-N -1 3 414.528 0.672 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000498498369 1078662394 /nfs/dbraw/zinc/66/23/94/1078662394.db2.gz VFRMQLUQLXAZHC-HOCLYGCPSA-N -1 3 414.528 0.672 20 0 HCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000498510394 1078681998 /nfs/dbraw/zinc/68/19/98/1078681998.db2.gz PDBVRDGVOVQSGC-BDAKNGLRSA-N -1 3 424.342 0.820 20 0 HCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000498510399 1078682024 /nfs/dbraw/zinc/68/20/24/1078682024.db2.gz PDBVRDGVOVQSGC-DTWKUNHWSA-N -1 3 424.342 0.820 20 0 HCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000498510401 1078682033 /nfs/dbraw/zinc/68/20/33/1078682033.db2.gz PDBVRDGVOVQSGC-IUCAKERBSA-N -1 3 424.342 0.820 20 0 HCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000498510403 1078682092 /nfs/dbraw/zinc/68/20/92/1078682092.db2.gz PDBVRDGVOVQSGC-RKDXNWHRSA-N -1 3 424.342 0.820 20 0 HCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCNC(=O)[C@H]1c1cccc(Br)c1 ZINC000498526454 1078694125 /nfs/dbraw/zinc/69/41/25/1078694125.db2.gz NXHODIHCVHYXGK-LLVKDONJSA-N -1 3 408.212 0.546 20 0 HCADHM Nc1c(=O)[n-]c(=O)[nH]c1C(=O)N1CCNC(=O)[C@@H]1c1cccc(Br)c1 ZINC000498526455 1078694075 /nfs/dbraw/zinc/69/40/75/1078694075.db2.gz NXHODIHCVHYXGK-NSHDSACASA-N -1 3 408.212 0.546 20 0 HCADHM CCN1CCN(CCNC(=O)c2cc(NC(C)=O)ccc2[N-]S(C)(=O)=O)CC1 ZINC000498527619 1078694571 /nfs/dbraw/zinc/69/45/71/1078694571.db2.gz YTXNGPJDZHHOSO-UHFFFAOYSA-N -1 3 411.528 0.384 20 0 HCADHM CNC(=O)[C@@H]1CCC[C@H]1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000498532539 1078703090 /nfs/dbraw/zinc/70/30/90/1078703090.db2.gz DNARVMYWMAGIMK-NXEZZACHSA-N -1 3 408.933 0.894 20 0 HCADHM CNC(=O)[C@H]1CCC[C@@H]1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000498532540 1078703178 /nfs/dbraw/zinc/70/31/78/1078703178.db2.gz DNARVMYWMAGIMK-UWVGGRQHSA-N -1 3 408.933 0.894 20 0 HCADHM CNC(=O)[C@H]1CCC[C@H]1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000498532541 1078703031 /nfs/dbraw/zinc/70/30/31/1078703031.db2.gz DNARVMYWMAGIMK-VHSXEESVSA-N -1 3 408.933 0.894 20 0 HCADHM CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000498532542 1078702903 /nfs/dbraw/zinc/70/29/03/1078702903.db2.gz DNARVMYWMAGIMK-ZJUUUORDSA-N -1 3 408.933 0.894 20 0 HCADHM COC[C@H](O)CCNC(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000498611853 1078768420 /nfs/dbraw/zinc/76/84/20/1078768420.db2.gz GGOJDOPVUUGROV-MRVPVSSYSA-N -1 3 401.304 0.303 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCNC(=O)[C@H]1CC(C)C ZINC000498626165 1078778447 /nfs/dbraw/zinc/77/84/47/1078778447.db2.gz INJHHVUTMYNMIX-GXTWGEPZSA-N -1 3 400.501 0.721 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCNC(=O)[C@@H]1CC(C)C ZINC000498626168 1078778431 /nfs/dbraw/zinc/77/84/31/1078778431.db2.gz INJHHVUTMYNMIX-JSGCOSHPSA-N -1 3 400.501 0.721 20 0 HCADHM CN(C)CCn1ncc(C(=O)N=c2[n-]c(CS(C)(=O)=O)no2)c1-c1ccccc1 ZINC000498641063 1078782866 /nfs/dbraw/zinc/78/28/66/1078782866.db2.gz WBUBSSFZEAATQR-UHFFFAOYSA-N -1 3 418.479 0.714 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@@H]3C2)cc1OC ZINC000498671421 1078804817 /nfs/dbraw/zinc/80/48/17/1078804817.db2.gz HZTXNPCPPAAVNX-CYBMUJFWSA-N -1 3 424.479 0.229 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CCN3C(=O)CC[C@H]3C2)cc1OC ZINC000498671426 1078804792 /nfs/dbraw/zinc/80/47/92/1078804792.db2.gz HZTXNPCPPAAVNX-ZDUSSCGKSA-N -1 3 424.479 0.229 20 0 HCADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)NCCn1ccccc1=O ZINC000498689790 1078823499 /nfs/dbraw/zinc/82/34/99/1078823499.db2.gz VSEPBAOLBKNLLJ-UHFFFAOYSA-N -1 3 420.310 0.767 20 0 HCADHM Cc1nc(C)c(CCC(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c(=O)[n-]1 ZINC000498739217 1078849402 /nfs/dbraw/zinc/84/94/02/1078849402.db2.gz HMICVXYAMPFEFR-UHFFFAOYSA-N -1 3 412.494 0.982 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CCN3C(=O)CC[C@H]3C2)CCCC1 ZINC000498752461 1078857909 /nfs/dbraw/zinc/85/79/09/1078857909.db2.gz QHVVKECOWMAXGJ-AWEZNQCLSA-N -1 3 410.496 0.716 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CCN3C(=O)CC[C@@H]3C2)CCCC1 ZINC000498752462 1078857878 /nfs/dbraw/zinc/85/78/78/1078857878.db2.gz QHVVKECOWMAXGJ-CQSZACIVSA-N -1 3 410.496 0.716 20 0 HCADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCN2C(=O)CC[C@@H]2C1 ZINC000498758861 1078856997 /nfs/dbraw/zinc/85/69/97/1078856997.db2.gz GCQQHNBYOQZMOR-SECBINFHSA-N -1 3 422.326 0.622 20 0 HCADHM O=C(C[N-]S(=O)(=O)c1ccc(Br)s1)N1CCN2C(=O)CC[C@H]2C1 ZINC000498758862 1078856965 /nfs/dbraw/zinc/85/69/65/1078856965.db2.gz GCQQHNBYOQZMOR-VIFPVBQESA-N -1 3 422.326 0.622 20 0 HCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000498759883 1078857222 /nfs/dbraw/zinc/85/72/22/1078857222.db2.gz RXHHWXZJWYVSHP-LLVKDONJSA-N -1 3 412.244 0.651 20 0 HCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000498759884 1078857191 /nfs/dbraw/zinc/85/71/91/1078857191.db2.gz RXHHWXZJWYVSHP-NSHDSACASA-N -1 3 412.244 0.651 20 0 HCADHM Cc1n[nH]c(C)c1[C@H]1COCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000498769774 1078863993 /nfs/dbraw/zinc/86/39/93/1078863993.db2.gz WSUXUDZNVSECIX-GXTWGEPZSA-N -1 3 411.484 0.898 20 0 HCADHM Cc1n[nH]c(C)c1[C@@H]1COCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000498769775 1078864076 /nfs/dbraw/zinc/86/40/76/1078864076.db2.gz WSUXUDZNVSECIX-JSGCOSHPSA-N -1 3 411.484 0.898 20 0 HCADHM C[C@@H](O)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000498777350 1078866879 /nfs/dbraw/zinc/86/68/79/1078866879.db2.gz NEQHLSINIQHBES-GFCCVEGCSA-N -1 3 424.454 0.620 20 0 HCADHM C[C@H](O)C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CC1 ZINC000498777351 1074412861 /nfs/dbraw/zinc/41/28/61/1074412861.db2.gz NEQHLSINIQHBES-LBPRGKRZSA-N -1 3 424.454 0.620 20 0 HCADHM CCC[C@@H]1C(=O)NCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000498782507 1078876616 /nfs/dbraw/zinc/87/66/16/1078876616.db2.gz UZTBMKMHUVEVNA-SECBINFHSA-N -1 3 424.342 0.916 20 0 HCADHM CCC[C@H]1C(=O)NCCN1C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000498782516 1078876598 /nfs/dbraw/zinc/87/65/98/1078876598.db2.gz UZTBMKMHUVEVNA-VIFPVBQESA-N -1 3 424.342 0.916 20 0 HCADHM CC[C@@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCN1CC(F)F ZINC000498835142 1078907178 /nfs/dbraw/zinc/90/71/78/1078907178.db2.gz TZHOZYPRBXYKLJ-SECBINFHSA-N -1 3 409.231 0.899 20 0 HCADHM CC[C@H]1CN(C(=O)Cn2cc(Br)c(=O)[n-]c2=O)CCN1CC(F)F ZINC000498835143 1078907016 /nfs/dbraw/zinc/90/70/16/1078907016.db2.gz TZHOZYPRBXYKLJ-VIFPVBQESA-N -1 3 409.231 0.899 20 0 HCADHM O=c1[n-]c(CN2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc2c3ccccc3oc21 ZINC000498985190 1078991589 /nfs/dbraw/zinc/99/15/89/1078991589.db2.gz OSSDWPIVUGGGMT-KBPBESRZSA-N -1 3 418.475 0.357 20 0 HCADHM O=c1[n-]c(CN2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)nc2c3ccccc3oc21 ZINC000498985508 1078992584 /nfs/dbraw/zinc/99/25/84/1078992584.db2.gz OSSDWPIVUGGGMT-KGLIPLIRSA-N -1 3 418.475 0.357 20 0 HCADHM O=c1[n-]c(CN2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)nc2c3ccccc3oc21 ZINC000498985509 1078992803 /nfs/dbraw/zinc/99/28/03/1078992803.db2.gz OSSDWPIVUGGGMT-UONOGXRCSA-N -1 3 418.475 0.357 20 0 HCADHM O=c1[n-]c(CN2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)nc2c3ccccc3oc21 ZINC000498985510 1078992740 /nfs/dbraw/zinc/99/27/40/1078992740.db2.gz OSSDWPIVUGGGMT-ZIAGYGMSSA-N -1 3 418.475 0.357 20 0 HCADHM COCCn1nnc2c1CCN(C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)C2 ZINC000499064564 1079027143 /nfs/dbraw/zinc/02/71/43/1079027143.db2.gz QNSQGAFVEKENNM-UHFFFAOYSA-N -1 3 419.916 0.503 20 0 HCADHM CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)[C@@H](C)CS(=O)(=O)CC ZINC000499145714 1079057436 /nfs/dbraw/zinc/05/74/36/1079057436.db2.gz HSBPTDBWUYIUPC-JQWIXIFHSA-N -1 3 409.530 0.630 20 0 HCADHM CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)[C@H](C)CS(=O)(=O)CC ZINC000499145715 1079057338 /nfs/dbraw/zinc/05/73/38/1079057338.db2.gz HSBPTDBWUYIUPC-PWSUYJOCSA-N -1 3 409.530 0.630 20 0 HCADHM CCS(=O)(=O)C[C@@H](C)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000499147892 1079059771 /nfs/dbraw/zinc/05/97/71/1079059771.db2.gz RNAKGROJVIRIPG-SECBINFHSA-N -1 3 402.947 0.961 20 0 HCADHM CCS(=O)(=O)C[C@H](C)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000499147893 1079060087 /nfs/dbraw/zinc/06/00/87/1079060087.db2.gz RNAKGROJVIRIPG-VIFPVBQESA-N -1 3 402.947 0.961 20 0 HCADHM CCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@H](C)CS(=O)(=O)CC ZINC000499150796 1079061793 /nfs/dbraw/zinc/06/17/93/1079061793.db2.gz ZKWTZBTZQWPNFV-SECBINFHSA-N -1 3 410.290 0.383 20 0 HCADHM CCN(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)[C@@H](C)CS(=O)(=O)CC ZINC000499150797 1079061837 /nfs/dbraw/zinc/06/18/37/1079061837.db2.gz ZKWTZBTZQWPNFV-VIFPVBQESA-N -1 3 410.290 0.383 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000499208789 1079093287 /nfs/dbraw/zinc/09/32/87/1079093287.db2.gz QEVUUIDOHYDHQN-BBRMVZONSA-N -1 3 420.491 0.876 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000499208793 1079093317 /nfs/dbraw/zinc/09/33/17/1079093317.db2.gz QEVUUIDOHYDHQN-XJKSGUPXSA-N -1 3 420.491 0.876 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000499232115 1079102382 /nfs/dbraw/zinc/10/23/82/1079102382.db2.gz BQGUPHLYFGKOBX-CYBMUJFWSA-N -1 3 421.251 0.629 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000499232117 1079102554 /nfs/dbraw/zinc/10/25/54/1079102554.db2.gz BQGUPHLYFGKOBX-ZDUSSCGKSA-N -1 3 421.251 0.629 20 0 HCADHM COc1cc(NC(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)ccn1 ZINC000499275863 1079127441 /nfs/dbraw/zinc/12/74/41/1079127441.db2.gz QJIXYGYDIMCRKS-UHFFFAOYSA-N -1 3 418.884 0.838 20 0 HCADHM CC(C)[C@@H](C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12)N1CCCC1=O ZINC000499410607 1080307141 /nfs/dbraw/zinc/30/71/41/1080307141.db2.gz CKRXWJXHMANTNO-INIZCTEOSA-N -1 3 401.423 0.743 20 0 HCADHM CC(C)[C@H](C(=O)NCC(=O)Nc1cccc2c(=O)[nH][n-]c(=O)c12)N1CCCC1=O ZINC000499410608 1080307106 /nfs/dbraw/zinc/30/71/06/1080307106.db2.gz CKRXWJXHMANTNO-MRXNPFEDSA-N -1 3 401.423 0.743 20 0 HCADHM Cn1ccnc(N2CCN(C(=O)c3c[n-]c4c(F)cc(F)cc4c3=O)CC2)c1=O ZINC000499508608 1080546456 /nfs/dbraw/zinc/54/64/56/1080546456.db2.gz ASNXJNDHTIBBIO-UHFFFAOYSA-N -1 3 401.373 0.862 20 0 HCADHM C[C@H](CS(C)(=O)=O)N(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CC1 ZINC000499611790 1080793292 /nfs/dbraw/zinc/79/32/92/1080793292.db2.gz FSDNSAHDGMUBMA-MRVPVSSYSA-N -1 3 408.274 0.136 20 0 HCADHM C[C@@H](CS(C)(=O)=O)N(C(=O)Cn1cc(Br)c(=O)[n-]c1=O)C1CC1 ZINC000499611797 1080793326 /nfs/dbraw/zinc/79/33/26/1080793326.db2.gz FSDNSAHDGMUBMA-QMMMGPOBSA-N -1 3 408.274 0.136 20 0 HCADHM C[C@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000499643490 1080848336 /nfs/dbraw/zinc/84/83/36/1080848336.db2.gz VUOSSCSBAGJOMK-BDAKNGLRSA-N -1 3 402.947 0.960 20 0 HCADHM C[C@H]([C@H](C)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1)S(C)(=O)=O ZINC000499643491 1080848494 /nfs/dbraw/zinc/84/84/94/1080848494.db2.gz VUOSSCSBAGJOMK-DTWKUNHWSA-N -1 3 402.947 0.960 20 0 HCADHM C[C@@H]([C@H](C)S(C)(=O)=O)N(C)C(=O)C[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000499643492 1080848522 /nfs/dbraw/zinc/84/85/22/1080848522.db2.gz VUOSSCSBAGJOMK-IUCAKERBSA-N -1 3 402.947 0.960 20 0 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Cn1cc([C@H](CO)[N-]S(=O)(=O)c2cc(Cl)ccc2CS(C)(=O)=O)cn1 ZINC000540343783 1075635350 /nfs/dbraw/zinc/63/53/50/1075635350.db2.gz JURGMYXYBRFJCT-ZDUSSCGKSA-N -1 3 407.901 0.630 20 0 HCADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000540430377 1075668949 /nfs/dbraw/zinc/66/89/49/1075668949.db2.gz PNWUVXSFVYUKQA-DOTOQJQBSA-N -1 3 413.478 0.825 20 0 HCADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CC[C@H](C(=O)N(C)C)O1 ZINC000540430613 1075672510 /nfs/dbraw/zinc/67/25/10/1075672510.db2.gz PNWUVXSFVYUKQA-NVXWUHKLSA-N -1 3 413.478 0.825 20 0 HCADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000540430614 1075672489 /nfs/dbraw/zinc/67/24/89/1075672489.db2.gz PNWUVXSFVYUKQA-RDJZCZTQSA-N -1 3 413.478 0.825 20 0 HCADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)NC[C@H]1CC[C@@H](C(=O)N(C)C)O1 ZINC000540430616 1075672532 /nfs/dbraw/zinc/67/25/32/1075672532.db2.gz PNWUVXSFVYUKQA-WBVHZDCISA-N -1 3 413.478 0.825 20 0 HCADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N(CCC(F)(F)F)C[C@H](O)CO ZINC000540456006 1075678778 /nfs/dbraw/zinc/67/87/78/1075678778.db2.gz MPUBYPHVLQPLKK-ZDUSSCGKSA-N -1 3 414.384 0.817 20 0 HCADHM CS(=O)(=O)Cc1noc([N-]C(=O)c2csc(I)c2)n1 ZINC000540460989 1075674849 /nfs/dbraw/zinc/67/48/49/1075674849.db2.gz QSYICVRNHMGKGR-UHFFFAOYSA-N -1 3 413.218 0.955 20 0 HCADHM CN(C)C1CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC000540465226 1075676088 /nfs/dbraw/zinc/67/60/88/1075676088.db2.gz FOFOTSIEBQGIRO-UHFFFAOYSA-N -1 3 401.432 0.462 20 0 HCADHM NC(=O)CCCCNS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000540472765 1075687248 /nfs/dbraw/zinc/68/72/48/1075687248.db2.gz LFFFTBUPYPQIKZ-UHFFFAOYSA-N -1 3 417.431 0.461 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000540473295 1075687234 /nfs/dbraw/zinc/68/72/34/1075687234.db2.gz YCMRDUCVFDKKNV-UHFFFAOYSA-N -1 3 412.219 0.594 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCSC[C@@H]2C(N)=O)c(OC)c1 ZINC000540473515 1075679638 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JHLIVPHFPLFTGI-QMTHXVAHSA-N -1 3 409.507 0.549 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)s1 ZINC000540483448 1075683465 /nfs/dbraw/zinc/68/34/65/1075683465.db2.gz JHLIVPHFPLFTGI-YGRLFVJLSA-N -1 3 409.507 0.549 20 0 HCADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000540485462 1075684818 /nfs/dbraw/zinc/68/48/18/1075684818.db2.gz DMZRTNCNBGHPDU-BLLLJJGKSA-N -1 3 421.468 0.627 20 0 HCADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000540485464 1075684877 /nfs/dbraw/zinc/68/48/77/1075684877.db2.gz DMZRTNCNBGHPDU-LRDDRELGSA-N -1 3 421.468 0.627 20 0 HCADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC000540485465 1075685248 /nfs/dbraw/zinc/68/52/48/1075685248.db2.gz DMZRTNCNBGHPDU-MLGOLLRUSA-N -1 3 421.468 0.627 20 0 HCADHM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-][C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC000540485468 1075685218 /nfs/dbraw/zinc/68/52/18/1075685218.db2.gz DMZRTNCNBGHPDU-WBMJQRKESA-N -1 3 421.468 0.627 20 0 HCADHM Cc1nn(C)c2c1N(S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1)CCO2 ZINC000540486261 1075687659 /nfs/dbraw/zinc/68/76/59/1075687659.db2.gz XOYHVSYNXIQDQE-UHFFFAOYSA-N -1 3 404.445 0.827 20 0 HCADHM COc1ccc(O)c(S(=O)(=O)[N-]c2cc(C(=O)NCCC(N)=O)ccc2F)c1 ZINC000540497545 1075693196 /nfs/dbraw/zinc/69/31/96/1075693196.db2.gz VEAVUZPYBRUKNK-UHFFFAOYSA-N -1 3 411.411 0.946 20 0 HCADHM Cc1oc(S(N)(=O)=O)cc1C(=O)[N-]c1ncn(CC(=O)NCc2ccccc2)n1 ZINC000540572252 1075717814 /nfs/dbraw/zinc/71/78/14/1075717814.db2.gz WDOSNAKARMOOMR-UHFFFAOYSA-N -1 3 418.435 0.396 20 0 HCADHM CN(CCO)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nn[n-]n3)cc2)cc1 ZINC000540572381 1075717949 /nfs/dbraw/zinc/71/79/49/1075717949.db2.gz YCJULULWSFPBIE-UHFFFAOYSA-N -1 3 402.436 0.732 20 0 HCADHM CN(CCO)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nnn[n-]3)cc2)cc1 ZINC000540572381 1075717935 /nfs/dbraw/zinc/71/79/35/1075717935.db2.gz YCJULULWSFPBIE-UHFFFAOYSA-N -1 3 402.436 0.732 20 0 HCADHM CN1CCN(C(=O)c2cc(NC(=O)C(=O)NCc3ccc([O-])c(F)c3)ccn2)CC1 ZINC000540580612 1075723928 /nfs/dbraw/zinc/72/39/28/1075723928.db2.gz UVIDXMRSNMFYRO-UHFFFAOYSA-N -1 3 415.425 0.569 20 0 HCADHM Cc1oc(S(N)(=O)=O)cc1C(=O)[N-]c1ncn(CC(=O)N2CCCCCC2)n1 ZINC000540613630 1075738443 /nfs/dbraw/zinc/73/84/43/1075738443.db2.gz FQJJSXOUTKPOES-UHFFFAOYSA-N -1 3 410.456 0.482 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000540629925 1075745488 /nfs/dbraw/zinc/74/54/88/1075745488.db2.gz TYGUSWLRZYDGSE-INIZCTEOSA-N -1 3 404.448 1.000 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1cccc(S(=O)(=O)NCc2ccco2)c1 ZINC000540629926 1075745567 /nfs/dbraw/zinc/74/55/67/1075745567.db2.gz TYGUSWLRZYDGSE-MRXNPFEDSA-N -1 3 404.448 1.000 20 0 HCADHM Cn1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)nn2-c2ncccn2)c(=O)n(C)c1=O ZINC000540696445 1075764274 /nfs/dbraw/zinc/76/42/74/1075764274.db2.gz NORKQNSVYQVCAC-UHFFFAOYSA-N -1 3 419.467 0.158 20 0 HCADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1 ZINC000540697460 1075764639 /nfs/dbraw/zinc/76/46/39/1075764639.db2.gz TUFNGXMCZYKPOD-UHFFFAOYSA-N -1 3 405.542 0.839 20 0 HCADHM C[C@H](c1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1)N1CCOCC1 ZINC000540697476 1075764429 /nfs/dbraw/zinc/76/44/29/1075764429.db2.gz UUXBQZKZPVDPQO-CYBMUJFWSA-N -1 3 408.480 0.278 20 0 HCADHM C[C@@H](c1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1)N1CCOCC1 ZINC000540697477 1075764581 /nfs/dbraw/zinc/76/45/81/1075764581.db2.gz UUXBQZKZPVDPQO-ZDUSSCGKSA-N -1 3 408.480 0.278 20 0 HCADHM Cn1cc(S(=O)(=O)[N-]c2ccc(OCc3ccccc3)nc2)c(=O)n(C)c1=O ZINC000540698687 1075765118 /nfs/dbraw/zinc/76/51/18/1075765118.db2.gz XPYXKKWSODTHAT-UHFFFAOYSA-N -1 3 402.432 0.859 20 0 HCADHM O=C(CC[N-]S(=O)(=O)c1c(Cl)cccc1Cl)NCC(=O)N1CCOCC1 ZINC000540716832 1075765455 /nfs/dbraw/zinc/76/54/55/1075765455.db2.gz NUPBKVGIYVSYAF-UHFFFAOYSA-N -1 3 424.306 0.637 20 0 HCADHM C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000540733483 1075767568 /nfs/dbraw/zinc/76/75/68/1075767568.db2.gz UBDHARVBLPWAOR-PTAUBWNISA-N -1 3 407.492 0.798 20 0 HCADHM C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000540733484 1075767601 /nfs/dbraw/zinc/76/76/01/1075767601.db2.gz UBDHARVBLPWAOR-SPKLELGKSA-N -1 3 407.492 0.798 20 0 HCADHM NS(=O)(=O)c1ccc([O-])c(NC(=O)CCN2CCN(c3ccccn3)CC2)c1 ZINC000540805836 1075782600 /nfs/dbraw/zinc/78/26/00/1075782600.db2.gz ZQUWQDDBWOLCTC-UHFFFAOYSA-N -1 3 405.480 0.585 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)NCCNC(=O)N(C)C)CCCC1 ZINC000540810627 1075783554 /nfs/dbraw/zinc/78/35/54/1075783554.db2.gz DLWXETNLQQGDTL-UHFFFAOYSA-N -1 3 401.489 0.270 20 0 HCADHM CCOC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)n[n-]1 ZINC000540847397 1075791803 /nfs/dbraw/zinc/79/18/03/1075791803.db2.gz MWGQNTBDAZZJEU-UHFFFAOYSA-N -1 3 408.436 0.860 20 0 HCADHM CCOC(=O)c1cc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)[n-]n1 ZINC000540847397 1075791797 /nfs/dbraw/zinc/79/17/97/1075791797.db2.gz MWGQNTBDAZZJEU-UHFFFAOYSA-N -1 3 408.436 0.860 20 0 HCADHM COC(=O)[C@@H]1CCCC[C@@]1(C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000540872038 1075797917 /nfs/dbraw/zinc/79/79/17/1075797917.db2.gz JOJCTCMRPLUCFG-BJOHPYRUSA-N -1 3 402.245 0.950 20 0 HCADHM COC(=O)[C@H]1CCCC[C@]1(C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000540872039 1075797973 /nfs/dbraw/zinc/79/79/73/1075797973.db2.gz JOJCTCMRPLUCFG-PSLIRLAXSA-N -1 3 402.245 0.950 20 0 HCADHM COC(=O)[C@H]1CCCC[C@@]1(C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000540872040 1075798080 /nfs/dbraw/zinc/79/80/80/1075798080.db2.gz JOJCTCMRPLUCFG-RFAUZJTJSA-N -1 3 402.245 0.950 20 0 HCADHM COC(=O)[C@@H]1CCCC[C@]1(C)NC(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000540872041 1075797937 /nfs/dbraw/zinc/79/79/37/1075797937.db2.gz JOJCTCMRPLUCFG-VFZGTOFNSA-N -1 3 402.245 0.950 20 0 HCADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000540907612 1075803724 /nfs/dbraw/zinc/80/37/24/1075803724.db2.gz KHRCRVNEMVGTMA-GFCCVEGCSA-N -1 3 405.208 0.667 20 0 HCADHM O=C(c1cc(=O)c2cc(Br)ccc2[n-]1)N1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000540907613 1075803742 /nfs/dbraw/zinc/80/37/42/1075803742.db2.gz KHRCRVNEMVGTMA-LBPRGKRZSA-N -1 3 405.208 0.667 20 0 HCADHM Cc1nnc(C[N-]S(=O)(=O)CCN(C)S(=O)(=O)c2ccc(F)cc2)s1 ZINC000540940821 1075806950 /nfs/dbraw/zinc/80/69/50/1075806950.db2.gz NYYOSRXTLKTRAJ-UHFFFAOYSA-N -1 3 408.502 0.726 20 0 HCADHM O=C(CNC(=O)c1ccc([O-])cc1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000540952900 1075813047 /nfs/dbraw/zinc/81/30/47/1075813047.db2.gz HNYURZIMXUGVEQ-UHFFFAOYSA-N -1 3 415.471 0.725 20 0 HCADHM Cn1cc(-c2nc([C@@H]3COCCN3C(=O)CNC(=O)c3ccc([O-])cc3)no2)cn1 ZINC000540957252 1075809157 /nfs/dbraw/zinc/80/91/57/1075809157.db2.gz TZKUHIVOFUGLTC-HNNXBMFYSA-N -1 3 412.406 0.506 20 0 HCADHM Cn1cc(-c2nc([C@H]3COCCN3C(=O)CNC(=O)c3ccc([O-])cc3)no2)cn1 ZINC000540957254 1075809114 /nfs/dbraw/zinc/80/91/14/1075809114.db2.gz TZKUHIVOFUGLTC-OAHLLOKOSA-N -1 3 412.406 0.506 20 0 HCADHM O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1cccc2n[n-]nc21 ZINC000540963037 1075810675 /nfs/dbraw/zinc/81/06/75/1075810675.db2.gz ZIJMHQXOLIDLCZ-UHFFFAOYSA-N -1 3 400.420 0.331 20 0 HCADHM CCOC(=O)c1cc(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)n[n-]1 ZINC000540975739 1075816249 /nfs/dbraw/zinc/81/62/49/1075816249.db2.gz CHBHJKIOKHNDTM-UHFFFAOYSA-N -1 3 423.451 0.852 20 0 HCADHM CCOC(=O)c1cc(NC(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)[n-]n1 ZINC000540975739 1075816248 /nfs/dbraw/zinc/81/62/48/1075816248.db2.gz CHBHJKIOKHNDTM-UHFFFAOYSA-N -1 3 423.451 0.852 20 0 HCADHM CCOC(=O)c1cc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)n[n-]1 ZINC000540975840 1075816200 /nfs/dbraw/zinc/81/62/00/1075816200.db2.gz WQPKZMWKMRTVLP-UHFFFAOYSA-N -1 3 424.435 0.665 20 0 HCADHM CCOC(=O)c1cc(NC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)[n-]n1 ZINC000540975840 1075816198 /nfs/dbraw/zinc/81/61/98/1075816198.db2.gz WQPKZMWKMRTVLP-UHFFFAOYSA-N -1 3 424.435 0.665 20 0 HCADHM CCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)n[n-]1 ZINC000540976648 1075816479 /nfs/dbraw/zinc/81/64/79/1075816479.db2.gz UPECWURPUKPJTK-UHFFFAOYSA-N -1 3 423.451 0.804 20 0 HCADHM CCOC(=O)c1cc(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)[n-]n1 ZINC000540976648 1075816476 /nfs/dbraw/zinc/81/64/76/1075816476.db2.gz UPECWURPUKPJTK-UHFFFAOYSA-N -1 3 423.451 0.804 20 0 HCADHM COC(=O)C1(CNC(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)CCOCC1 ZINC000541045493 1075833825 /nfs/dbraw/zinc/83/38/25/1075833825.db2.gz NUAHXLVXSMMEAB-UHFFFAOYSA-N -1 3 410.901 0.766 20 0 HCADHM CCN(Cc1cn(C)nn1)C(=O)C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000541059442 1075836572 /nfs/dbraw/zinc/83/65/72/1075836572.db2.gz HEOZZZHDFOVAQJ-UHFFFAOYSA-N -1 3 422.330 0.966 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(n3ccnc3)C2)c(OC)c1 ZINC000541123424 1075844672 /nfs/dbraw/zinc/84/46/72/1075844672.db2.gz RURULWFIDDAWKY-UHFFFAOYSA-N -1 3 400.482 0.899 20 0 HCADHM COC(=O)[C@@H]([N-]S(=O)(=O)N1CCS(=O)(=O)CC1)c1ccc2ccccc2c1 ZINC000541189054 1075857442 /nfs/dbraw/zinc/85/74/42/1075857442.db2.gz GJRBDZNKGPXKLU-INIZCTEOSA-N -1 3 412.489 0.619 20 0 HCADHM COC(=O)[C@H]([N-]S(=O)(=O)N1CCS(=O)(=O)CC1)c1ccc2ccccc2c1 ZINC000541189067 1075857402 /nfs/dbraw/zinc/85/74/02/1075857402.db2.gz GJRBDZNKGPXKLU-MRXNPFEDSA-N -1 3 412.489 0.619 20 0 HCADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000541190409 1075854915 /nfs/dbraw/zinc/85/49/15/1075854915.db2.gz RKKMBXLKNZCZJN-JTQLQIEISA-N -1 3 413.481 0.133 20 0 HCADHM COC(=O)c1nscc1S(=O)(=O)[N-][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000541190412 1075854848 /nfs/dbraw/zinc/85/48/48/1075854848.db2.gz RKKMBXLKNZCZJN-SNVBAGLBSA-N -1 3 413.481 0.133 20 0 HCADHM C[C@@H](O)C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000541191183 1075855132 /nfs/dbraw/zinc/85/51/32/1075855132.db2.gz SCPXEYWEXGAOJY-NXEZZACHSA-N -1 3 404.432 0.965 20 0 HCADHM C[C@H](O)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000541191184 1075855124 /nfs/dbraw/zinc/85/51/24/1075855124.db2.gz SCPXEYWEXGAOJY-UWVGGRQHSA-N -1 3 404.432 0.965 20 0 HCADHM C[C@@H](O)C[C@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000541191185 1075855183 /nfs/dbraw/zinc/85/51/83/1075855183.db2.gz SCPXEYWEXGAOJY-VHSXEESVSA-N -1 3 404.432 0.965 20 0 HCADHM C[C@H](C[C@H](C)O)NS(=O)(=O)c1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000541191186 1075855311 /nfs/dbraw/zinc/85/53/11/1075855311.db2.gz SCPXEYWEXGAOJY-ZJUUUORDSA-N -1 3 404.432 0.965 20 0 HCADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000541193434 1075855790 /nfs/dbraw/zinc/85/57/90/1075855790.db2.gz GGQIQRSMKPTUHI-CYBMUJFWSA-N -1 3 424.454 0.815 20 0 HCADHM COC(=O)c1c(F)cccc1S(=O)(=O)[N-][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000541193436 1075855749 /nfs/dbraw/zinc/85/57/49/1075855749.db2.gz GGQIQRSMKPTUHI-ZDUSSCGKSA-N -1 3 424.454 0.815 20 0 HCADHM CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)NCc2cnc(C)[n-]c2=O)cc1 ZINC000541309700 1075873334 /nfs/dbraw/zinc/87/33/34/1075873334.db2.gz LPFNDGRYVKPTNC-UHFFFAOYSA-N -1 3 414.509 1.000 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H](O)[C@H]3C2)c(OC)c1 ZINC000541310400 1075873827 /nfs/dbraw/zinc/87/38/27/1075873827.db2.gz ZEJVFTJYKMNRTD-FPMFFAJLSA-N -1 3 404.510 0.848 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@@H](O)[C@@H]3C2)c(OC)c1 ZINC000541310403 1075873814 /nfs/dbraw/zinc/87/38/14/1075873814.db2.gz ZEJVFTJYKMNRTD-IACUBPJLSA-N -1 3 404.510 0.848 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H](O)[C@H]3C2)c(OC)c1 ZINC000541310405 1075873794 /nfs/dbraw/zinc/87/37/94/1075873794.db2.gz ZEJVFTJYKMNRTD-UBHSHLNASA-N -1 3 404.510 0.848 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(OC)c1 ZINC000541310406 1075873803 /nfs/dbraw/zinc/87/38/03/1075873803.db2.gz ZEJVFTJYKMNRTD-YUTCNCBUSA-N -1 3 404.510 0.848 20 0 HCADHM Cc1ncc(CNS(=O)(=O)c2ccc(S(=O)(=O)N3CCCC3)cc2)c(=O)[n-]1 ZINC000541311998 1075874074 /nfs/dbraw/zinc/87/40/74/1075874074.db2.gz ONGNUZWQLQNZFX-UHFFFAOYSA-N -1 3 412.493 0.754 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCn2ccnn2)c(OC)c1 ZINC000541312521 1075874286 /nfs/dbraw/zinc/87/42/86/1075874286.db2.gz MJRGYHAQMXWEBT-UHFFFAOYSA-N -1 3 403.486 0.417 20 0 HCADHM COCCNS(=O)(=O)c1cccc(CNC(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000541337440 1075879113 /nfs/dbraw/zinc/87/91/13/1075879113.db2.gz JFVDVAFWYGLGHG-UHFFFAOYSA-N -1 3 409.468 0.415 20 0 HCADHM COCCNS(=O)(=O)c1ccc(CNC(=O)NCc2cnc(C)[n-]c2=O)cc1 ZINC000541352047 1075878159 /nfs/dbraw/zinc/87/81/59/1075878159.db2.gz GCLXMPBQMVCRJI-UHFFFAOYSA-N -1 3 409.468 0.415 20 0 HCADHM Cc1ncc(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)c(=O)[n-]1 ZINC000541352576 1075878663 /nfs/dbraw/zinc/87/86/63/1075878663.db2.gz CBYADMGRCIMMJL-UHFFFAOYSA-N -1 3 411.415 0.135 20 0 HCADHM CSc1nnnn1-c1cccc(NC(=O)C(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000541354211 1075880210 /nfs/dbraw/zinc/88/02/10/1075880210.db2.gz BHHAPJZLHVXACY-UHFFFAOYSA-N -1 3 400.424 0.443 20 0 HCADHM Cc1ncc(CNC(=O)C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2F)c(=O)[n-]1 ZINC000541356139 1075880641 /nfs/dbraw/zinc/88/06/41/1075880641.db2.gz AZKROBCUONTETQ-UHFFFAOYSA-N -1 3 423.426 0.425 20 0 HCADHM COC(=O)COc1ccc(NC(=O)C(=O)NCc2cnc(C)[n-]c2=O)cc1Cl ZINC000541356564 1075880774 /nfs/dbraw/zinc/88/07/74/1075880774.db2.gz MYDWCFOWWGLFQU-UHFFFAOYSA-N -1 3 408.798 0.951 20 0 HCADHM Cc1ncc(CNC(=O)C(=O)Nc2ccc(OCC(=O)N(C)C)c(Cl)c2)c(=O)[n-]1 ZINC000541356725 1075880779 /nfs/dbraw/zinc/88/07/79/1075880779.db2.gz ZPHWUGXTTCMQEQ-UHFFFAOYSA-N -1 3 421.841 0.866 20 0 HCADHM Cc1ncc(CNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c(=O)[n-]1 ZINC000541356859 1075880791 /nfs/dbraw/zinc/88/07/91/1075880791.db2.gz FHYKIQYQYIPQSP-UHFFFAOYSA-N -1 3 412.450 0.133 20 0 HCADHM CCCS(=O)(=O)Nc1cccc(NC(=O)C(=O)NCc2cnc(C)[n-]c2=O)c1 ZINC000541358347 1075881019 /nfs/dbraw/zinc/88/10/19/1075881019.db2.gz SQYLXRLBFZXGBE-UHFFFAOYSA-N -1 3 407.452 0.897 20 0 HCADHM O=S(=O)([N-]CCN1CCCS1(=O)=O)c1cccc(Br)c1F ZINC000541385988 1075883305 /nfs/dbraw/zinc/88/33/05/1075883305.db2.gz AJRRKVGJCWPMFO-UHFFFAOYSA-N -1 3 401.279 0.902 20 0 HCADHM C[C@](O)(C[N-]S(=O)(=O)c1cccc(Br)c1F)CN1CCOCC1 ZINC000541387679 1075883469 /nfs/dbraw/zinc/88/34/69/1075883469.db2.gz ZNDAHLIZYUVZLG-AWEZNQCLSA-N -1 3 411.293 0.950 20 0 HCADHM C[C@@](O)(C[N-]S(=O)(=O)c1cccc(Br)c1F)CN1CCOCC1 ZINC000541387680 1075883438 /nfs/dbraw/zinc/88/34/38/1075883438.db2.gz ZNDAHLIZYUVZLG-CQSZACIVSA-N -1 3 411.293 0.950 20 0 HCADHM CNC(=O)[C@@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541387995 1075883478 /nfs/dbraw/zinc/88/34/78/1075883478.db2.gz SIVPAHOUFQCWHO-JTQLQIEISA-N -1 3 422.276 0.604 20 0 HCADHM CNC(=O)[C@H]1CCCN1C(=O)C[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000541387996 1075883451 /nfs/dbraw/zinc/88/34/51/1075883451.db2.gz SIVPAHOUFQCWHO-SNVBAGLBSA-N -1 3 422.276 0.604 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@@H](C)CC(=O)OC)cc1OC ZINC000541411641 1075887155 /nfs/dbraw/zinc/88/71/55/1075887155.db2.gz OOVYXOPYUBOJHU-JTQLQIEISA-N -1 3 401.441 0.463 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N[C@H](C)CC(=O)OC)cc1OC ZINC000541411643 1075887163 /nfs/dbraw/zinc/88/71/63/1075887163.db2.gz OOVYXOPYUBOJHU-SNVBAGLBSA-N -1 3 401.441 0.463 20 0 HCADHM CCOc1ccc(S(=O)(=O)NCC(=O)NCc2cnc(C)[n-]c2=O)cc1OCC ZINC000541456325 1075889443 /nfs/dbraw/zinc/88/94/43/1075889443.db2.gz PWUNJSKXHHIJSI-UHFFFAOYSA-N -1 3 424.479 0.883 20 0 HCADHM Cc1ncc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)c(=O)[nH]1 ZINC000541457459 1075889635 /nfs/dbraw/zinc/88/96/35/1075889635.db2.gz BEVKQZKCTZZLIS-UHFFFAOYSA-N -1 3 421.298 0.909 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCOC[C@@H]1[C@@H]1CCCC1=O ZINC000542479912 1077467930 /nfs/dbraw/zinc/46/79/30/1077467930.db2.gz YABYCTYVQFGIDE-GXSJLCMTSA-N -1 3 400.229 0.308 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCOC[C@H]1[C@H]1CCCC1=O ZINC000542479913 1077468155 /nfs/dbraw/zinc/46/81/55/1077468155.db2.gz YABYCTYVQFGIDE-KOLCDFICSA-N -1 3 400.229 0.308 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCOC[C@@H]1[C@H]1CCCC1=O ZINC000542479916 1077468590 /nfs/dbraw/zinc/46/85/90/1077468590.db2.gz YABYCTYVQFGIDE-MWLCHTKSSA-N -1 3 400.229 0.308 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCOC[C@H]1[C@@H]1CCCC1=O ZINC000542479918 1077468820 /nfs/dbraw/zinc/46/88/20/1077468820.db2.gz YABYCTYVQFGIDE-ONGXEEELSA-N 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410.496 0.217 20 0 HCADHM Cc1ncc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)c(=O)[n-]1 ZINC000543318209 1081108249 /nfs/dbraw/zinc/10/82/49/1081108249.db2.gz YGBNZICSEXZKRF-ZNMIVQPWSA-N -1 3 410.496 0.217 20 0 HCADHM Cc1ncc(CNC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c(=O)[n-]1 ZINC000543318832 1081108212 /nfs/dbraw/zinc/10/82/12/1081108212.db2.gz YEDYUHHMBCQYAH-UHFFFAOYSA-N -1 3 422.463 0.637 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000543359127 1081139204 /nfs/dbraw/zinc/13/92/04/1081139204.db2.gz VLXVTXOHWSTLHF-GFCCVEGCSA-N -1 3 422.239 0.418 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000543359128 1081139083 /nfs/dbraw/zinc/13/90/83/1081139083.db2.gz VLXVTXOHWSTLHF-LBPRGKRZSA-N -1 3 422.239 0.418 20 0 HCADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)c(C)o1 ZINC000543370064 1081146336 /nfs/dbraw/zinc/14/63/36/1081146336.db2.gz WYBYSIFOGOJSSY-HNNXBMFYSA-N -1 3 406.464 0.812 20 0 HCADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)c(C)o1 ZINC000543370065 1081146671 /nfs/dbraw/zinc/14/66/71/1081146671.db2.gz WYBYSIFOGOJSSY-OAHLLOKOSA-N -1 3 406.464 0.812 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)N1CCOCC2(CCOCC2)C1 ZINC000543377302 1081149435 /nfs/dbraw/zinc/14/94/35/1081149435.db2.gz FITZJPPGWQMQDF-UHFFFAOYSA-N -1 3 402.245 0.367 20 0 HCADHM Cc1ncc(CNC(=O)c2cccc(S(=O)(=O)NC[C@@H]3CCCO3)c2)c(=O)[n-]1 ZINC000543387009 1081158822 /nfs/dbraw/zinc/15/88/22/1081158822.db2.gz HOPRYBRAWXHQDW-HNNXBMFYSA-N -1 3 406.464 0.878 20 0 HCADHM Cc1ncc(CNC(=O)c2cccc(S(=O)(=O)NC[C@H]3CCCO3)c2)c(=O)[n-]1 ZINC000543387010 1081158798 /nfs/dbraw/zinc/15/87/98/1081158798.db2.gz HOPRYBRAWXHQDW-OAHLLOKOSA-N -1 3 406.464 0.878 20 0 HCADHM CC(C)NS(=O)(=O)NCC[N-]S(=O)(=O)c1cccc(Br)c1F ZINC000543413965 1081191884 /nfs/dbraw/zinc/19/18/84/1081191884.db2.gz IIVQUWWSBCGRFD-UHFFFAOYSA-N -1 3 418.310 0.699 20 0 HCADHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)CCO)cc2)c(C)o1 ZINC000543420084 1081204803 /nfs/dbraw/zinc/20/48/03/1081204803.db2.gz AQBXIDIDTBQODL-UHFFFAOYSA-N -1 3 402.450 0.514 20 0 HCADHM CNS(=O)(=O)[C@@H]1CCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000544554737 1081275241 /nfs/dbraw/zinc/27/52/41/1081275241.db2.gz AQUFWJVOAWQFOO-GFCCVEGCSA-N -1 3 408.436 0.705 20 0 HCADHM CNS(=O)(=O)[C@H]1CCN(C(=O)c2cc(NC(=O)c3cnoc3C)ccc2[O-])C1 ZINC000544554740 1081275263 /nfs/dbraw/zinc/27/52/63/1081275263.db2.gz AQUFWJVOAWQFOO-LBPRGKRZSA-N -1 3 408.436 0.705 20 0 HCADHM COC(=O)c1csc(S(=O)(=O)[N-]CC(=O)N[C@@H](CC(C)C)C(=O)OC)c1 ZINC000546882246 1075360536 /nfs/dbraw/zinc/36/05/36/1075360536.db2.gz YSPJJWPLTNVWOR-NSHDSACASA-N -1 3 406.482 0.517 20 0 HCADHM COC(=O)Cn1cc(C[N-]S(=O)(=O)c2cc(Br)cc(OC)c2)nn1 ZINC000546883604 1075366685 /nfs/dbraw/zinc/36/66/85/1075366685.db2.gz NZXCJHWZPRUVMI-UHFFFAOYSA-N -1 3 419.257 0.701 20 0 HCADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H]3c3nc(=N)n(C)[nH]3)nc(=O)c2c1C ZINC000556085831 1078414547 /nfs/dbraw/zinc/41/45/47/1078414547.db2.gz VIKOZGYFQDFACL-SECBINFHSA-N -1 3 403.468 0.958 20 0 HCADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H]3c3nc(=N)n(C)[nH]3)nc(=O)c2c1C ZINC000556085832 1078414558 /nfs/dbraw/zinc/41/45/58/1078414558.db2.gz VIKOZGYFQDFACL-VIFPVBQESA-N -1 3 403.468 0.958 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N2CC(=O)N(CC3CC3)C2)CCCC1 ZINC000556086617 1078415820 /nfs/dbraw/zinc/41/58/20/1078415820.db2.gz XYBRGALKLONZGB-UHFFFAOYSA-N -1 3 410.496 0.921 20 0 HCADHM Cc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000556099573 1078432852 /nfs/dbraw/zinc/43/28/52/1078432852.db2.gz URCSEJUSRSTUTP-UHFFFAOYSA-N -1 3 417.487 0.964 20 0 HCADHM Cn1cc(NC(=O)C(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nn1 ZINC000556231011 1078550171 /nfs/dbraw/zinc/55/01/71/1078550171.db2.gz RYZPTYQPIMCOJE-UHFFFAOYSA-N -1 3 421.266 0.155 20 0 HCADHM C[C@H](C(=O)N(C)C)S(=O)(=O)[N-]c1cc2c(cc1Br)NC(=O)CO2 ZINC000556304046 1078585708 /nfs/dbraw/zinc/58/57/08/1078585708.db2.gz LYNMMZPOMFJBKS-SSDOTTSWSA-N -1 3 406.258 0.998 20 0 HCADHM 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ZINC000556403996 1078713332 /nfs/dbraw/zinc/71/33/32/1078713332.db2.gz IBSZVKZEEXGNAE-NOZJJQNGSA-N -1 3 403.892 0.956 20 0 HCADHM CC(C)(C)[C@H](O)C[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000556403996 1078713325 /nfs/dbraw/zinc/71/33/25/1078713325.db2.gz IBSZVKZEEXGNAE-NOZJJQNGSA-N -1 3 403.892 0.956 20 0 HCADHM CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000556403998 1078713206 /nfs/dbraw/zinc/71/32/06/1078713206.db2.gz IBSZVKZEEXGNAE-RNCFNFMXSA-N -1 3 403.892 0.956 20 0 HCADHM CC(C)(C)[C@@H](O)C[C@H](CO)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000556403998 1078713199 /nfs/dbraw/zinc/71/31/99/1078713199.db2.gz IBSZVKZEEXGNAE-RNCFNFMXSA-N -1 3 403.892 0.956 20 0 HCADHM CC(C)(C)[C@H](O)C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000556404000 1078713150 /nfs/dbraw/zinc/71/31/50/1078713150.db2.gz IBSZVKZEEXGNAE-TVQRCGJNSA-N -1 3 403.892 0.956 20 0 HCADHM CC(C)(C)[C@H](O)C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000556404000 1078713141 /nfs/dbraw/zinc/71/31/41/1078713141.db2.gz IBSZVKZEEXGNAE-TVQRCGJNSA-N -1 3 403.892 0.956 20 0 HCADHM CC(C)(C)[C@@H](O)C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000556404002 1078713260 /nfs/dbraw/zinc/71/32/60/1078713260.db2.gz IBSZVKZEEXGNAE-ZANVPECISA-N -1 3 403.892 0.956 20 0 HCADHM CC(C)(C)[C@@H](O)C[C@@H](CO)NS(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000556404002 1078713255 /nfs/dbraw/zinc/71/32/55/1078713255.db2.gz IBSZVKZEEXGNAE-ZANVPECISA-N -1 3 403.892 0.956 20 0 HCADHM COC(=O)c1cn(CC[N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)nn1 ZINC000556405303 1078714103 /nfs/dbraw/zinc/71/41/03/1078714103.db2.gz WKKWVONFIHEFLZ-UHFFFAOYSA-N -1 3 419.822 0.794 20 0 HCADHM O=S(=O)([N-]CC1(O)CCS(=O)(=O)CC1)c1cccc(Br)c1F ZINC000556405472 1078707810 /nfs/dbraw/zinc/70/78/10/1078707810.db2.gz YZDUGUHHXZWJRL-UHFFFAOYSA-N -1 3 416.290 0.806 20 0 HCADHM COC(=O)c1cn(CC[N-]S(=O)(=O)c2cc(F)ccc2Br)nn1 ZINC000556406896 1078721691 /nfs/dbraw/zinc/72/16/91/1078721691.db2.gz OKGWLEDQGAJJKV-UHFFFAOYSA-N -1 3 407.221 0.945 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](CO)O2)cc1OC ZINC000556595100 1078850845 /nfs/dbraw/zinc/85/08/45/1078850845.db2.gz PPUUGMREPPTUAQ-OLZOCXBDSA-N -1 3 415.468 0.051 20 0 HCADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCN4CCC[C@H]4[C@@H]3C(=O)[O-])ccc2O1 ZINC000556772327 1078944701 /nfs/dbraw/zinc/94/47/01/1078944701.db2.gz NUNRUZFRFJFKGE-BHYGNILZSA-N -1 3 424.475 0.475 20 0 HCADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCN4CCC[C@@H]4[C@@H]3C(=O)[O-])ccc2O1 ZINC000556772332 1078946304 /nfs/dbraw/zinc/94/63/04/1078946304.db2.gz NUNRUZFRFJFKGE-HYVNUMGLSA-N -1 3 424.475 0.475 20 0 HCADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCN4CCC[C@@H]4[C@H]3C(=O)[O-])ccc2O1 ZINC000556772336 1078946395 /nfs/dbraw/zinc/94/63/95/1078946395.db2.gz NUNRUZFRFJFKGE-PVAVHDDUSA-N -1 3 424.475 0.475 20 0 HCADHM CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCN4CCC[C@H]4[C@H]3C(=O)[O-])ccc2O1 ZINC000556772337 1078946565 /nfs/dbraw/zinc/94/65/65/1078946565.db2.gz NUNRUZFRFJFKGE-XIRDDKMYSA-N -1 3 424.475 0.475 20 0 HCADHM CC(=O)N1c2ccc(S(=O)(=O)N3CCN4CCC[C@@H]4[C@@H]3C(=O)[O-])cc2C[C@@H]1C ZINC000556778345 1078955774 /nfs/dbraw/zinc/95/57/74/1078955774.db2.gz NSFHVQWZZLPPTR-JBBXEZCESA-N -1 3 407.492 0.906 20 0 HCADHM CC(=O)N1c2ccc(S(=O)(=O)N3CCN4CCC[C@@H]4[C@@H]3C(=O)[O-])cc2C[C@H]1C ZINC000556778346 1078955858 /nfs/dbraw/zinc/95/58/58/1078955858.db2.gz NSFHVQWZZLPPTR-NXOUGTEYSA-N -1 3 407.492 0.906 20 0 HCADHM CC(=O)N1c2ccc(S(=O)(=O)N3CCN4CCC[C@@H]4[C@H]3C(=O)[O-])cc2C[C@H]1C ZINC000556778347 1078955622 /nfs/dbraw/zinc/95/56/22/1078955622.db2.gz NSFHVQWZZLPPTR-PJSAGSTRSA-N -1 3 407.492 0.906 20 0 HCADHM CC(=O)N1c2ccc(S(=O)(=O)N3CCN4CCC[C@@H]4[C@H]3C(=O)[O-])cc2C[C@@H]1C ZINC000556778348 1078955744 /nfs/dbraw/zinc/95/57/44/1078955744.db2.gz NSFHVQWZZLPPTR-RZAIGCCYSA-N -1 3 407.492 0.906 20 0 HCADHM COC(=O)CNC(=O)CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000556788163 1078959713 /nfs/dbraw/zinc/95/97/13/1078959713.db2.gz TUYUGPLYKIPPAY-UHFFFAOYSA-N -1 3 423.422 0.646 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)c(F)c1 ZINC000556826454 1078986086 /nfs/dbraw/zinc/98/60/86/1078986086.db2.gz MFURXQYMXZHAHG-GXTWGEPZSA-N -1 3 422.500 0.999 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)c(F)c1 ZINC000556826458 1078986226 /nfs/dbraw/zinc/98/62/26/1078986226.db2.gz MFURXQYMXZHAHG-JSGCOSHPSA-N -1 3 422.500 0.999 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)c(F)c1 ZINC000556826459 1078986108 /nfs/dbraw/zinc/98/61/08/1078986108.db2.gz MFURXQYMXZHAHG-OCCSQVGLSA-N -1 3 422.500 0.999 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)c(F)c1 ZINC000556826462 1078986009 /nfs/dbraw/zinc/98/60/09/1078986009.db2.gz MFURXQYMXZHAHG-TZMCWYRMSA-N -1 3 422.500 0.999 20 0 HCADHM CC(=O)c1cccc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)c1[O-] ZINC000556892076 1079026816 /nfs/dbraw/zinc/02/68/16/1079026816.db2.gz HVEWBQALPIVGAP-UHFFFAOYSA-N -1 3 417.443 0.968 20 0 HCADHM NC(=O)[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000556918204 1079034117 /nfs/dbraw/zinc/03/41/17/1079034117.db2.gz CEESPWWGPTUUAN-MRVPVSSYSA-N -1 3 410.315 0.513 20 0 HCADHM NC(=O)[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000556918205 1079034218 /nfs/dbraw/zinc/03/42/18/1079034218.db2.gz CEESPWWGPTUUAN-QMMMGPOBSA-N -1 3 410.315 0.513 20 0 HCADHM Cn1cnn(CCC(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)c1=O ZINC000556933114 1079041283 /nfs/dbraw/zinc/04/12/83/1079041283.db2.gz CDMFFXODBGDAIL-UHFFFAOYSA-N -1 3 422.294 0.373 20 0 HCADHM CN(C)Cc1nc(C(C)(C)[N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)no1 ZINC000556936976 1079041613 /nfs/dbraw/zinc/04/16/13/1079041613.db2.gz GCMXIEAESNSQOW-UHFFFAOYSA-N -1 3 402.498 0.748 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC(O)(C(=O)OC)CC2)cc1OC ZINC000556938165 1079041218 /nfs/dbraw/zinc/04/12/18/1079041218.db2.gz LGQCGXLWOKWYQM-UHFFFAOYSA-N -1 3 415.468 0.989 20 0 HCADHM Cc1nnc(CCNC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)n1C ZINC000557012413 1079078338 /nfs/dbraw/zinc/07/83/38/1079078338.db2.gz UAKMWJNUSHXNSU-UHFFFAOYSA-N -1 3 422.330 0.585 20 0 HCADHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)c1ccc(OC)cc1 ZINC000557035403 1079095614 /nfs/dbraw/zinc/09/56/14/1079095614.db2.gz WJIPSKWDPDFFPT-INIZCTEOSA-N -1 3 403.420 0.864 20 0 HCADHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(-n2cnnn2)cc1)c1ccc(OC)cc1 ZINC000557035405 1079095456 /nfs/dbraw/zinc/09/54/56/1079095456.db2.gz WJIPSKWDPDFFPT-MRXNPFEDSA-N -1 3 403.420 0.864 20 0 HCADHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC000557038361 1079097227 /nfs/dbraw/zinc/09/72/27/1079097227.db2.gz VRNFJMBWXTTWRU-HNNXBMFYSA-N -1 3 400.483 0.963 20 0 HCADHM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC000557038366 1079097162 /nfs/dbraw/zinc/09/71/62/1079097162.db2.gz VRNFJMBWXTTWRU-OAHLLOKOSA-N -1 3 400.483 0.963 20 0 HCADHM CCOC(=O)C1(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCOCC1 ZINC000557065690 1079116168 /nfs/dbraw/zinc/11/61/68/1079116168.db2.gz AYFNDSGYMZRODB-UHFFFAOYSA-N -1 3 420.434 0.719 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)NCC(C)(C)NS(C)(=O)=O)cc1OC ZINC000598049698 1073413941 /nfs/dbraw/zinc/41/39/41/1073413941.db2.gz YNONHNKKQFYSPV-UHFFFAOYSA-N -1 3 422.529 0.906 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000598919731 1073509638 /nfs/dbraw/zinc/50/96/38/1073509638.db2.gz QRYLUYQDMDRHEW-ZDUSSCGKSA-N -1 3 408.484 0.487 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCN(c2ccc(C)nn2)CC1 ZINC000598919813 1073509402 /nfs/dbraw/zinc/50/94/02/1073509402.db2.gz KQVCTUQIOWARKM-AWEZNQCLSA-N -1 3 422.511 0.796 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC(N(C)c2cccnn2)CC1 ZINC000598926009 1073511421 /nfs/dbraw/zinc/51/14/21/1073511421.db2.gz XBALUIFMPNYSNR-ZDUSSCGKSA-N -1 3 422.511 0.876 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCN(Cc2nccn2C)CC1 ZINC000598941413 1073511773 /nfs/dbraw/zinc/51/17/73/1073511773.db2.gz PTATZGMMRKJOKJ-AWEZNQCLSA-N -1 3 424.527 0.426 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCCN(Cc2cnn(C)c2)CC1 ZINC000598981473 1073516790 /nfs/dbraw/zinc/51/67/90/1073516790.db2.gz NYXLNFXQIJSXGS-AWEZNQCLSA-N -1 3 424.527 0.426 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CCC(=O)NCCNC(C)=O)cc1OC ZINC000599314811 1073601851 /nfs/dbraw/zinc/60/18/51/1073601851.db2.gz ZSXSXVRYYJCHAW-UHFFFAOYSA-N -1 3 414.484 0.428 20 0 HCADHM CCn1cnnc1[C@@H]1CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000599355450 1073610022 /nfs/dbraw/zinc/61/00/22/1073610022.db2.gz OEHQCPWGOQLMEW-GXTWGEPZSA-N -1 3 410.500 0.976 20 0 HCADHM CCn1cnnc1[C@H]1CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000599355451 1073609776 /nfs/dbraw/zinc/60/97/76/1073609776.db2.gz OEHQCPWGOQLMEW-JSGCOSHPSA-N -1 3 410.500 0.976 20 0 HCADHM Cn1nc(C(=O)NCC(=O)Nc2cccc3c(=O)[nH][n-]c(=O)c23)c(=O)c2ccccc21 ZINC000599360834 1073615153 /nfs/dbraw/zinc/61/51/53/1073615153.db2.gz YCGXFMMBLFENLS-UHFFFAOYSA-N -1 3 420.385 0.656 20 0 HCADHM CNS(=O)(=O)c1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000599482989 1073638375 /nfs/dbraw/zinc/63/83/75/1073638375.db2.gz OSOPYAKQSFAKEI-JTQLQIEISA-N -1 3 416.481 0.505 20 0 HCADHM Cc1nc(C)c(CCC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)c(=O)[n-]1 ZINC000599842161 1073694166 /nfs/dbraw/zinc/69/41/66/1073694166.db2.gz CSOAZDBXGGZKBL-AWEZNQCLSA-N -1 3 400.501 0.336 20 0 HCADHM Cc1nc(C)c(CCC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)c(=O)[n-]1 ZINC000599842162 1073694069 /nfs/dbraw/zinc/69/40/69/1073694069.db2.gz CSOAZDBXGGZKBL-CQSZACIVSA-N -1 3 400.501 0.336 20 0 HCADHM CS(=O)(=O)NCCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602740684 1073453938 /nfs/dbraw/zinc/45/39/38/1073453938.db2.gz PSVZBCJCFSWUFC-UHFFFAOYSA-N -1 3 402.270 0.960 20 0 HCADHM CCS(=O)(=O)NCCNC(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602744485 1073451719 /nfs/dbraw/zinc/45/17/19/1073451719.db2.gz SCMXDUMBMHYUEQ-UHFFFAOYSA-N -1 3 402.270 0.960 20 0 HCADHM O=C(NCCCN1C(=O)CNC1=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000602763340 1073457842 /nfs/dbraw/zinc/45/78/42/1073457842.db2.gz LDQVREPTCPCTIP-UHFFFAOYSA-N -1 3 407.224 0.962 20 0 HCADHM NS(=O)(=O)N1CCN(C(=O)c2cc(=O)c3cc(Br)ccc3[n-]2)CC1 ZINC000602763819 1073458559 /nfs/dbraw/zinc/45/85/59/1073458559.db2.gz BOMNOYUDLNQFDE-UHFFFAOYSA-N -1 3 415.269 0.252 20 0 HCADHM CSc1nc(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3c(c2)OCCCO3)n[n-]1 ZINC000603228678 1073489922 /nfs/dbraw/zinc/48/99/22/1073489922.db2.gz OYVBZCZBODRNAA-VIFPVBQESA-N -1 3 413.481 0.993 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCc2ccccc2[C@H]1C(N)=O ZINC000603261438 1073496582 /nfs/dbraw/zinc/49/65/82/1073496582.db2.gz IMPQLGVZYNAUNH-NHYWBVRUSA-N -1 3 406.464 0.570 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1C(N)=O ZINC000603261443 1073496964 /nfs/dbraw/zinc/49/69/64/1073496964.db2.gz IMPQLGVZYNAUNH-XHDPSFHLSA-N -1 3 406.464 0.570 20 0 HCADHM Cc1nnc(CNC(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)n1C ZINC000603264169 1073497058 /nfs/dbraw/zinc/49/70/58/1073497058.db2.gz LJOORPDWQTXPJQ-UHFFFAOYSA-N -1 3 408.303 0.542 20 0 HCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000603478668 1073528520 /nfs/dbraw/zinc/52/85/20/1073528520.db2.gz GBWVNXSSXQMJPH-SECBINFHSA-N -1 3 415.946 0.220 20 0 HCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)C[N-]S(=O)(=O)c2ccc(Cl)s2)C1 ZINC000603478670 1073528661 /nfs/dbraw/zinc/52/86/61/1073528661.db2.gz GBWVNXSSXQMJPH-VIFPVBQESA-N -1 3 415.946 0.220 20 0 HCADHM CNS(=O)(=O)[C@H]1CCCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000603479672 1073531388 /nfs/dbraw/zinc/53/13/88/1073531388.db2.gz UOIQILXRCDEUCD-HNNXBMFYSA-N -1 3 419.507 0.613 20 0 HCADHM CNS(=O)(=O)[C@@H]1CCCN(C(=O)CCc2c(C)nc(-c3ccncc3)[n-]c2=O)C1 ZINC000603479674 1073531153 /nfs/dbraw/zinc/53/11/53/1073531153.db2.gz UOIQILXRCDEUCD-OAHLLOKOSA-N -1 3 419.507 0.613 20 0 HCADHM O=C(CNC(=O)c1ccc([O-])cc1)NCCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000603549766 1073558673 /nfs/dbraw/zinc/55/86/73/1073558673.db2.gz LTMBKWNEDDZZNS-UHFFFAOYSA-N -1 3 416.522 0.963 20 0 HCADHM CS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000603552461 1073559563 /nfs/dbraw/zinc/55/95/63/1073559563.db2.gz HVMGOVIILZFPBG-UHFFFAOYSA-N -1 3 408.454 0.677 20 0 HCADHM CNS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccccc2S(C)(=O)=O)s1 ZINC000603556051 1073562458 /nfs/dbraw/zinc/56/24/58/1073562458.db2.gz HPSOIARNHITWLN-UHFFFAOYSA-N -1 3 424.547 0.538 20 0 HCADHM O=C(Nc1cc(Cl)ccc1[O-])C1CCN(C(=O)NCCN2C(=O)CNC2=O)CC1 ZINC000603611776 1073578445 /nfs/dbraw/zinc/57/84/45/1073578445.db2.gz SVLOFOMCQSIPOP-UHFFFAOYSA-N -1 3 423.857 0.958 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C(=O)N1CCCC1)C(C)C ZINC000603698437 1073602588 /nfs/dbraw/zinc/60/25/88/1073602588.db2.gz KMIVBWNBFBGIRO-JSGCOSHPSA-N -1 3 400.501 0.721 20 0 HCADHM CC(C)[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)C(=O)N1CCCC1 ZINC000603698573 1073602787 /nfs/dbraw/zinc/60/27/87/1073602787.db2.gz OXKQSPALVQXGOO-LBPRGKRZSA-N -1 3 401.261 0.475 20 0 HCADHM COc1ccc(S(=O)(=O)NCCC(=O)NCCc2c(C)[n-][nH]c2=O)cc1OC ZINC000603808090 1073632478 /nfs/dbraw/zinc/63/24/78/1073632478.db2.gz GQHGTDNKRBUMDZ-CYBMUJFWSA-N -1 3 412.468 0.000 20 0 HCADHM COc1ccc(S(=O)(=O)NCCC(=O)NCCc2c(C)[n-][nH]c2=O)cc1OC ZINC000603808091 1073632311 /nfs/dbraw/zinc/63/23/11/1073632311.db2.gz GQHGTDNKRBUMDZ-ZDUSSCGKSA-N -1 3 412.468 0.000 20 0 HCADHM CCc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000603808112 1073632348 /nfs/dbraw/zinc/63/23/48/1073632348.db2.gz KFARNSYLJXMPBG-INIZCTEOSA-N -1 3 422.507 0.512 20 0 HCADHM CCc1ccc(C(=O)NCCc2c(C)[n-][nH]c2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000603808113 1073632559 /nfs/dbraw/zinc/63/25/59/1073632559.db2.gz KFARNSYLJXMPBG-MRXNPFEDSA-N -1 3 422.507 0.512 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000603808349 1073632004 /nfs/dbraw/zinc/63/20/04/1073632004.db2.gz NQBLSSDUUOWCDR-LLVKDONJSA-N -1 3 409.240 0.803 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000603808350 1073632110 /nfs/dbraw/zinc/63/21/10/1073632110.db2.gz NQBLSSDUUOWCDR-NSHDSACASA-N -1 3 409.240 0.803 20 0 HCADHM COC(=O)c1sc2[n-]c(CN3CCC[C@H](NS(C)(=O)=O)C3)nc(=O)c2c1C ZINC000603876244 1073651540 /nfs/dbraw/zinc/65/15/40/1073651540.db2.gz DTWIGSSNEXSQFR-JTQLQIEISA-N -1 3 414.509 0.593 20 0 HCADHM COC(=O)c1sc2[n-]c(CN3CCC[C@@H](NS(C)(=O)=O)C3)nc(=O)c2c1C ZINC000603876254 1073651592 /nfs/dbraw/zinc/65/15/92/1073651592.db2.gz DTWIGSSNEXSQFR-SNVBAGLBSA-N -1 3 414.509 0.593 20 0 HCADHM COCC(=O)NC1CCN(Cc2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)CC1 ZINC000603882204 1073653949 /nfs/dbraw/zinc/65/39/49/1073653949.db2.gz DWQYAGSEJSVOSI-UHFFFAOYSA-N -1 3 408.480 0.807 20 0 HCADHM CCS(=O)(=O)N1CCC(C(=O)NCCc2c(C)[n-][nH]c2=O)(c2ccccc2)CC1 ZINC000603886483 1073655113 /nfs/dbraw/zinc/65/51/13/1073655113.db2.gz ADYSEQKNJCQGLJ-KRWDZBQOSA-N -1 3 420.535 0.998 20 0 HCADHM CCS(=O)(=O)N1CCC(C(=O)NCCc2c(C)[n-][nH]c2=O)(c2ccccc2)CC1 ZINC000603886494 1073654913 /nfs/dbraw/zinc/65/49/13/1073654913.db2.gz ADYSEQKNJCQGLJ-QGZVFWFLSA-N -1 3 420.535 0.998 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000603888057 1073656769 /nfs/dbraw/zinc/65/67/69/1073656769.db2.gz WXPHLGIYFKXFCP-JTQLQIEISA-N -1 3 407.224 0.673 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000603888058 1073656652 /nfs/dbraw/zinc/65/66/52/1073656652.db2.gz WXPHLGIYFKXFCP-SNVBAGLBSA-N -1 3 407.224 0.673 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000603888753 1073655785 /nfs/dbraw/zinc/65/57/85/1073655785.db2.gz RQEOAOLPXYDIAV-LLVKDONJSA-N -1 3 416.550 0.727 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000603888757 1073655609 /nfs/dbraw/zinc/65/56/09/1073655609.db2.gz RQEOAOLPXYDIAV-NSHDSACASA-N -1 3 416.550 0.727 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000603889369 1073656689 /nfs/dbraw/zinc/65/66/89/1073656689.db2.gz NYSFOSCDTKYYEU-CYBMUJFWSA-N -1 3 416.297 0.992 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CS(=O)(=O)Cc1cccc(Br)c1 ZINC000603889370 1073656663 /nfs/dbraw/zinc/65/66/63/1073656663.db2.gz NYSFOSCDTKYYEU-ZDUSSCGKSA-N -1 3 416.297 0.992 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000603889602 1073656623 /nfs/dbraw/zinc/65/66/23/1073656623.db2.gz VBLHRCLBFKDJOK-GFCCVEGCSA-N -1 3 402.270 0.851 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)CS(=O)(=O)c1cccc(Br)c1 ZINC000603889603 1073656749 /nfs/dbraw/zinc/65/67/49/1073656749.db2.gz VBLHRCLBFKDJOK-LBPRGKRZSA-N -1 3 402.270 0.851 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000603889628 1073656729 /nfs/dbraw/zinc/65/67/29/1073656729.db2.gz YCTAYGHGZNDESD-LLVKDONJSA-N -1 3 406.240 0.787 20 0 HCADHM Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000603889629 1073656676 /nfs/dbraw/zinc/65/66/76/1073656676.db2.gz YCTAYGHGZNDESD-NSHDSACASA-N -1 3 406.240 0.787 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(S(N)(=O)=O)cc2)s1 ZINC000604016599 1073677652 /nfs/dbraw/zinc/67/76/52/1073677652.db2.gz AIAZQWHRGMWUQY-UHFFFAOYSA-N -1 3 404.491 0.703 20 0 HCADHM CCc1[nH]n(C)c2nnc([N-]C(=O)c3ccc(S(=O)(=O)N4CCOCC4)o3)c1-2 ZINC000604375023 1073800067 /nfs/dbraw/zinc/80/00/67/1073800067.db2.gz MDPLTQXUQAWIQO-UHFFFAOYSA-N -1 3 408.440 0.725 20 0 HCADHM C[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1nnnn1-c1ccccc1 ZINC000604378500 1073801616 /nfs/dbraw/zinc/80/16/16/1073801616.db2.gz OYRDOAKCQBICGM-SECBINFHSA-N -1 3 420.227 0.565 20 0 HCADHM C[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1nnnn1-c1ccccc1 ZINC000604378501 1073801490 /nfs/dbraw/zinc/80/14/90/1073801490.db2.gz OYRDOAKCQBICGM-VIFPVBQESA-N -1 3 420.227 0.565 20 0 HCADHM COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000604483934 1073809496 /nfs/dbraw/zinc/80/94/96/1073809496.db2.gz PIBGCYYGXUZYQH-CYBMUJFWSA-N -1 3 422.235 0.838 20 0 HCADHM COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000604483935 1073809441 /nfs/dbraw/zinc/80/94/41/1073809441.db2.gz PIBGCYYGXUZYQH-ZDUSSCGKSA-N -1 3 422.235 0.838 20 0 HCADHM CCOC(=O)CCN(CC1CC1)C(=O)Cn1cc(Br)c(=O)[n-]c1=O ZINC000604505226 1073813361 /nfs/dbraw/zinc/81/33/61/1073813361.db2.gz GZVDRVOHVPZDGO-UHFFFAOYSA-N -1 3 402.245 0.903 20 0 HCADHM CCOC(=O)C1CCC(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)CC1 ZINC000604545378 1073817199 /nfs/dbraw/zinc/81/71/99/1073817199.db2.gz WEHJDAGKFPQPTP-UHFFFAOYSA-N -1 3 402.245 0.950 20 0 HCADHM COC(=O)Cc1csc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)n1 ZINC000604572639 1073818186 /nfs/dbraw/zinc/81/81/86/1073818186.db2.gz NLAHYZLHLCRKJC-QMMMGPOBSA-N -1 3 402.454 0.769 20 0 HCADHM O=C(CNC(=O)c1cccc(-n2cncn2)c1)Nc1cccc2c(=O)[nH][n-]c(=O)c12 ZINC000604601537 1073818029 /nfs/dbraw/zinc/81/80/29/1073818029.db2.gz QPWFNOGGHBMRKZ-UHFFFAOYSA-N -1 3 405.374 0.990 20 0 HCADHM Cc1ccc(C(=O)NCCC(=O)NCc2cc(S(N)(=O)=O)ccc2F)c([O-])c1 ZINC000604602859 1073826898 /nfs/dbraw/zinc/82/68/98/1073826898.db2.gz MKDRZYJBPPSREO-UHFFFAOYSA-N -1 3 409.439 0.923 20 0 HCADHM CN(C)S(=O)(=O)c1ccc2c(c1)N(C(=O)CNC(=O)c1ccc([O-])cc1)CC2 ZINC000604606567 1073820731 /nfs/dbraw/zinc/82/07/31/1073820731.db2.gz HJOZRLKRXUQBJK-UHFFFAOYSA-N -1 3 403.460 0.962 20 0 HCADHM CN1CCN(c2ccc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)nc2)CC1 ZINC000604838636 1073858480 /nfs/dbraw/zinc/85/84/80/1073858480.db2.gz VNDUEMKCOBKIEM-UHFFFAOYSA-N -1 3 411.509 0.282 20 0 HCADHM CCOCCN1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C[C@H]1CC ZINC000604869320 1073858046 /nfs/dbraw/zinc/85/80/46/1073858046.db2.gz MLOFNXUDTFQZQX-GOEBONIOSA-N -1 3 416.544 0.918 20 0 HCADHM CCOCCN1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C[C@@H]1CC ZINC000604869325 1073858099 /nfs/dbraw/zinc/85/80/99/1073858099.db2.gz MLOFNXUDTFQZQX-HOCLYGCPSA-N -1 3 416.544 0.918 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@@H](NS(C)(=O)=O)C2)cc1OC ZINC000604893169 1073861643 /nfs/dbraw/zinc/86/16/43/1073861643.db2.gz CZFGWJVPLVLHPF-GFCCVEGCSA-N -1 3 420.513 0.612 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)N2CC[C@H](NS(C)(=O)=O)C2)cc1OC ZINC000604893170 1073861624 /nfs/dbraw/zinc/86/16/24/1073861624.db2.gz CZFGWJVPLVLHPF-LBPRGKRZSA-N -1 3 420.513 0.612 20 0 HCADHM CCOCCN1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C[C@@H]1C ZINC000604983307 1073877069 /nfs/dbraw/zinc/87/70/69/1073877069.db2.gz CMITXYVZSXYIOR-JSGCOSHPSA-N -1 3 402.517 0.527 20 0 HCADHM CCOCCN1CCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C[C@H]1C ZINC000604983308 1073877173 /nfs/dbraw/zinc/87/71/73/1073877173.db2.gz CMITXYVZSXYIOR-OCCSQVGLSA-N -1 3 402.517 0.527 20 0 HCADHM CC[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CCN1CCOC ZINC000604987056 1073877022 /nfs/dbraw/zinc/87/70/22/1073877022.db2.gz GBBCUNAFOUZMFL-DZGCQCFKSA-N -1 3 402.517 0.527 20 0 HCADHM CC[C@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)CCN1CCOC ZINC000604987057 1073877124 /nfs/dbraw/zinc/87/71/24/1073877124.db2.gz GBBCUNAFOUZMFL-ZFWWWQNUSA-N -1 3 402.517 0.527 20 0 HCADHM O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000605063622 1073880025 /nfs/dbraw/zinc/88/00/25/1073880025.db2.gz OOKLAHNSBRNCOZ-UHFFFAOYSA-N -1 3 422.441 0.601 20 0 HCADHM O=C(Nc1ccc2c(c1)C(=O)NCC2)C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000605063746 1073879997 /nfs/dbraw/zinc/87/99/97/1073879997.db2.gz USRIDWUHKZOCHX-UHFFFAOYSA-N -1 3 422.441 0.601 20 0 HCADHM CS(=O)(=O)NCc1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000605119123 1073884191 /nfs/dbraw/zinc/88/41/91/1073884191.db2.gz HTHRVGJCBXFLJI-UHFFFAOYSA-N -1 3 408.465 0.512 20 0 HCADHM CC(=O)NC[C@@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCO1 ZINC000605130807 1073885489 /nfs/dbraw/zinc/88/54/89/1073885489.db2.gz DMIQRUIQLZJWHE-CYBMUJFWSA-N -1 3 424.454 0.932 20 0 HCADHM CC(=O)NC[C@H]1CN(C(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)CCO1 ZINC000605130808 1073885536 /nfs/dbraw/zinc/88/55/36/1073885536.db2.gz DMIQRUIQLZJWHE-ZDUSSCGKSA-N -1 3 424.454 0.932 20 0 HCADHM Cn1cc(N2CC[C@H](NC(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)C2=O)cn1 ZINC000605134390 1073887592 /nfs/dbraw/zinc/88/75/92/1073887592.db2.gz KCLFBSGCVYJJRN-JTQLQIEISA-N -1 3 417.900 0.335 20 0 HCADHM Cn1cc(N2CC[C@@H](NC(=O)C[N-]S(=O)(=O)c3ccc(Cl)s3)C2=O)cn1 ZINC000605134391 1073887515 /nfs/dbraw/zinc/88/75/15/1073887515.db2.gz KCLFBSGCVYJJRN-SNVBAGLBSA-N -1 3 417.900 0.335 20 0 HCADHM COCCNS(=O)(=O)c1cccc(CNC(=O)Cc2c(C)nc(C)[n-]c2=O)c1 ZINC000605136283 1073889046 /nfs/dbraw/zinc/88/90/46/1073889046.db2.gz BIFOYFQHUCPQKR-UHFFFAOYSA-N -1 3 408.480 0.583 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)NCc1cccc(-n2cncn2)c1 ZINC000605144868 1073898992 /nfs/dbraw/zinc/89/89/92/1073898992.db2.gz FEVCGKROWSWJHI-UHFFFAOYSA-N -1 3 405.212 0.609 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NCc1cccc(-n2cncn2)c1 ZINC000605144905 1073898904 /nfs/dbraw/zinc/89/89/04/1073898904.db2.gz HTUUNOGXZHDKSP-LBPRGKRZSA-N -1 3 404.452 0.855 20 0 HCADHM COCCNS(=O)(=O)c1cccc(CNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)c1 ZINC000605185772 1073909059 /nfs/dbraw/zinc/90/90/59/1073909059.db2.gz SNXJTNDDGVRDIH-UHFFFAOYSA-N -1 3 417.443 0.425 20 0 HCADHM COCCNS(=O)(=O)c1cccc(CNC(=O)CNC(=O)c2ccc([O-])cc2)c1 ZINC000605185797 1073908963 /nfs/dbraw/zinc/90/89/63/1073908963.db2.gz UOHOSJWMNQVRBH-UHFFFAOYSA-N -1 3 421.475 0.363 20 0 HCADHM CC(=O)NCC(=O)N1CCc2cc(C(=O)NCc3ccc(-c4nn[n-]n4)cc3)ccc21 ZINC000605305105 1073946581 /nfs/dbraw/zinc/94/65/81/1073946581.db2.gz LUIMCBCSKBJOFM-UHFFFAOYSA-N -1 3 419.445 0.822 20 0 HCADHM CC(=O)NCC(=O)N1CCc2cc(C(=O)NCc3ccc(-c4nnn[n-]4)cc3)ccc21 ZINC000605305105 1073946571 /nfs/dbraw/zinc/94/65/71/1073946571.db2.gz LUIMCBCSKBJOFM-UHFFFAOYSA-N -1 3 419.445 0.822 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000605376426 1073963523 /nfs/dbraw/zinc/96/35/23/1073963523.db2.gz BWOLGBYENANPSO-GXTWGEPZSA-N -1 3 408.484 0.533 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000605376427 1073963412 /nfs/dbraw/zinc/96/34/12/1073963412.db2.gz BWOLGBYENANPSO-JSGCOSHPSA-N -1 3 408.484 0.533 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H]1CS(=O)(=O)c2ccccc21 ZINC000605381178 1073971480 /nfs/dbraw/zinc/97/14/80/1073971480.db2.gz HRDQRDHCUVWUMB-GWCFXTLKSA-N -1 3 413.477 0.603 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000605381179 1073971222 /nfs/dbraw/zinc/97/12/22/1073971222.db2.gz HRDQRDHCUVWUMB-GXFFZTMASA-N -1 3 413.477 0.603 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)NC[C@@H]1CCCN1c1cccnn1 ZINC000605385110 1073972155 /nfs/dbraw/zinc/97/21/55/1073972155.db2.gz QPQJUZXDGZCREV-JSGCOSHPSA-N -1 3 408.484 0.533 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)C[C@H]1CCCN1c1cccnn1 ZINC000605396892 1073985376 /nfs/dbraw/zinc/98/53/76/1073985376.db2.gz PCGYKZXHJPPFHD-DZGCQCFKSA-N -1 3 422.511 0.876 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N(C)C[C@@H]1CCCN1c1cccnn1 ZINC000605396893 1073985156 /nfs/dbraw/zinc/98/51/56/1073985156.db2.gz PCGYKZXHJPPFHD-ZFWWWQNUSA-N -1 3 422.511 0.876 20 0 HCADHM O=c1n(CCC[N-]S(=O)(=O)c2ccc(Br)cn2)nc2n1CCCC2 ZINC000605437472 1073996151 /nfs/dbraw/zinc/99/61/51/1073996151.db2.gz 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COC(=O)Cc1nc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)n[n-]1 ZINC000609835616 1078548029 /nfs/dbraw/zinc/54/80/29/1078548029.db2.gz WTEGQMKQRICVNI-ZDUSSCGKSA-N -1 3 407.452 0.702 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n[n-]1 ZINC000609835850 1078548447 /nfs/dbraw/zinc/54/84/47/1078548447.db2.gz GLLLPJOVVPUSTP-LLVKDONJSA-N -1 3 401.379 0.492 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)n[n-]1 ZINC000609835851 1078548535 /nfs/dbraw/zinc/54/85/35/1078548535.db2.gz GLLLPJOVVPUSTP-NSHDSACASA-N -1 3 401.379 0.492 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)n[n-]1 ZINC000609835883 1078550158 /nfs/dbraw/zinc/55/01/58/1078550158.db2.gz KQFMRULLOPYMFL-CYBMUJFWSA-N -1 3 400.399 0.246 20 0 HCADHM COC(=O)Cc1n[n-]c(NC(=O)[C@@H](Cc2cccc(OC)c2)n2nnnc2C)n1 ZINC000609835883 1078550155 /nfs/dbraw/zinc/55/01/55/1078550155.db2.gz KQFMRULLOPYMFL-CYBMUJFWSA-N -1 3 400.399 0.246 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)n[n-]1 ZINC000609835884 1078550209 /nfs/dbraw/zinc/55/02/09/1078550209.db2.gz KQFMRULLOPYMFL-ZDUSSCGKSA-N -1 3 400.399 0.246 20 0 HCADHM COC(=O)Cc1n[n-]c(NC(=O)[C@H](Cc2cccc(OC)c2)n2nnnc2C)n1 ZINC000609835884 1078550200 /nfs/dbraw/zinc/55/02/00/1078550200.db2.gz KQFMRULLOPYMFL-ZDUSSCGKSA-N -1 3 400.399 0.246 20 0 HCADHM COC(=O)Cc1nc(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)n[n-]1 ZINC000609838525 1078554511 /nfs/dbraw/zinc/55/45/11/1078554511.db2.gz CLOMIFOXHPLURQ-UHFFFAOYSA-N -1 3 407.452 0.947 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CN2C(=O)COc3cc(Br)ccc32)n[n-]1 ZINC000609838535 1078554568 /nfs/dbraw/zinc/55/45/68/1078554568.db2.gz GHURAWWWIRYEHL-UHFFFAOYSA-N -1 3 424.211 0.647 20 0 HCADHM COC(=O)Cc1nc(NC(=O)c2sc(-c3c(C)c(C)nn(C)c3=O)nc2C)n[n-]1 ZINC000609838540 1078554345 /nfs/dbraw/zinc/55/43/45/1078554345.db2.gz INMBOZXRQRRNGZ-UHFFFAOYSA-N -1 3 417.451 0.915 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)n[n-]1 ZINC000609838544 1078554463 /nfs/dbraw/zinc/55/44/63/1078554463.db2.gz JSAUBIJCORHGNK-UHFFFAOYSA-N -1 3 401.832 0.433 20 0 HCADHM COC(=O)Cc1nc(NC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)n[n-]1 ZINC000609838577 1078554549 /nfs/dbraw/zinc/55/45/49/1078554549.db2.gz RWBOQDDKBCIYKO-UHFFFAOYSA-N -1 3 411.440 0.468 20 0 HCADHM COC(=O)Cc1nc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)n[n-]1 ZINC000609838601 1078554416 /nfs/dbraw/zinc/55/44/16/1078554416.db2.gz VLOJVDRKBAJJDT-UHFFFAOYSA-N -1 3 410.456 0.286 20 0 HCADHM COC(=O)Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)[n-]1 ZINC000609838601 1078554410 /nfs/dbraw/zinc/55/44/10/1078554410.db2.gz VLOJVDRKBAJJDT-UHFFFAOYSA-N -1 3 410.456 0.286 20 0 HCADHM COC(=O)Cc1n[n-]c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)cn2C)n1 ZINC000609838601 1078554403 /nfs/dbraw/zinc/55/44/03/1078554403.db2.gz VLOJVDRKBAJJDT-UHFFFAOYSA-N -1 3 410.456 0.286 20 0 HCADHM COC(=O)c1sc2[n-]c(CN3CCN(Cc4nnc(C)[nH]4)CC3)nc(=O)c2c1C ZINC000609849168 1078553133 /nfs/dbraw/zinc/55/31/33/1078553133.db2.gz JWYZVOPLTQDBTI-UHFFFAOYSA-N -1 3 417.495 0.824 20 0 HCADHM CCOc1ccc(S(=O)(=O)NCCC(=O)Nc2n[n-]c(CC(=O)OC)n2)cc1 ZINC000609855381 1078554063 /nfs/dbraw/zinc/55/40/63/1078554063.db2.gz MSSDRYWLSXNTLX-UHFFFAOYSA-N -1 3 411.440 0.226 20 0 HCADHM COCCNS(=O)(=O)c1ccc(C)c(C(=O)Nc2n[n-]c(CC(=O)OC)n2)c1 ZINC000609855411 1078554044 /nfs/dbraw/zinc/55/40/44/1078554044.db2.gz OTHKKTGEKDWCSP-UHFFFAOYSA-N -1 3 411.440 0.006 20 0 HCADHM COC(=O)Cc1nc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)n[n-]1 ZINC000609855453 1078553989 /nfs/dbraw/zinc/55/39/89/1078553989.db2.gz VTVVYRXKCGLIIF-GFCCVEGCSA-N -1 3 423.451 0.230 20 0 HCADHM COC(=O)Cc1nc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)n[n-]1 ZINC000609855454 1078554027 /nfs/dbraw/zinc/55/40/27/1078554027.db2.gz VTVVYRXKCGLIIF-LBPRGKRZSA-N -1 3 423.451 0.230 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)n[n-]1 ZINC000609855460 1078554137 /nfs/dbraw/zinc/55/41/37/1078554137.db2.gz WMJNDLBQCFYSLL-MGNBDDOMSA-N -1 3 406.443 0.596 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)n[n-]1 ZINC000609855461 1078553977 /nfs/dbraw/zinc/55/39/77/1078553977.db2.gz WMJNDLBQCFYSLL-MLCYQJTMSA-N -1 3 406.443 0.596 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n[n-]1 ZINC000609855462 1078553883 /nfs/dbraw/zinc/55/38/83/1078553883.db2.gz WMJNDLBQCFYSLL-XTZNXHDOSA-N -1 3 406.443 0.596 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)n[n-]1 ZINC000609855463 1078554105 /nfs/dbraw/zinc/55/41/05/1078554105.db2.gz WMJNDLBQCFYSLL-YPMLDQLKSA-N -1 3 406.443 0.596 20 0 HCADHM COC(=O)CCc1nnc([N-]C(=O)c2nc(S(C)(=O)=O)n3ccccc23)s1 ZINC000609872210 1078556810 /nfs/dbraw/zinc/55/68/10/1078556810.db2.gz IIIDNPYJOWJKDX-UHFFFAOYSA-N -1 3 409.449 0.947 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n[n-]1 ZINC000609879555 1078557182 /nfs/dbraw/zinc/55/71/82/1078557182.db2.gz ARRISWMCGBQSOR-AWEZNQCLSA-N -1 3 421.479 0.701 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)n[n-]1 ZINC000609879556 1078557260 /nfs/dbraw/zinc/55/72/60/1078557260.db2.gz ARRISWMCGBQSOR-CQSZACIVSA-N -1 3 421.479 0.701 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CCNS(=O)(=O)c2ccc(F)c(F)c2)n[n-]1 ZINC000609879605 1078557151 /nfs/dbraw/zinc/55/71/51/1078557151.db2.gz IVECXUYQMHFMQH-UHFFFAOYSA-N -1 3 403.367 0.106 20 0 HCADHM COC(=O)Cc1nc(NC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)n[n-]1 ZINC000609879622 1078557298 /nfs/dbraw/zinc/55/72/98/1078557298.db2.gz KTWOKLVHEIVDMM-UHFFFAOYSA-N -1 3 405.411 0.685 20 0 HCADHM COC(=O)Cc1n[n-]c(NC(=O)c2ccc(OCC(=O)NC(C)C)c(OC)c2)n1 ZINC000609879622 1078557289 /nfs/dbraw/zinc/55/72/89/1078557289.db2.gz KTWOKLVHEIVDMM-UHFFFAOYSA-N -1 3 405.411 0.685 20 0 HCADHM COC(=O)Cc1nc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)n[n-]1 ZINC000609879642 1078557211 /nfs/dbraw/zinc/55/72/11/1078557211.db2.gz MYUXVDZNEZNPFM-NSHDSACASA-N -1 3 424.483 0.532 20 0 HCADHM COC(=O)Cc1nnc(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)[n-]1 ZINC000609879642 1078557204 /nfs/dbraw/zinc/55/72/04/1078557204.db2.gz MYUXVDZNEZNPFM-NSHDSACASA-N -1 3 424.483 0.532 20 0 HCADHM COC(=O)Cc1n[n-]c(NC(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cn2C)n1 ZINC000609879642 1078557198 /nfs/dbraw/zinc/55/71/98/1078557198.db2.gz MYUXVDZNEZNPFM-NSHDSACASA-N -1 3 424.483 0.532 20 0 HCADHM COC(=O)Cc1nc(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)n[n-]1 ZINC000609879646 1078557320 /nfs/dbraw/zinc/55/73/20/1078557320.db2.gz NNSVSJYJBFCEFF-UHFFFAOYSA-N -1 3 407.452 0.003 20 0 HCADHM COC(=O)Cc1n[n-]c(NC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)n1 ZINC000609879646 1078557313 /nfs/dbraw/zinc/55/73/13/1078557313.db2.gz NNSVSJYJBFCEFF-UHFFFAOYSA-N -1 3 407.452 0.003 20 0 HCADHM COC(=O)Cc1nc(NC(=O)c2cccc(CS(=O)(=O)NC(C)(C)C)c2)n[n-]1 ZINC000609879659 1078557126 /nfs/dbraw/zinc/55/71/26/1078557126.db2.gz OGYILVXPGLSNTD-UHFFFAOYSA-N -1 3 409.468 0.990 20 0 HCADHM COC(=O)Cc1n[n-]c(NC(=O)c2cccc(CS(=O)(=O)NC(C)(C)C)c2)n1 ZINC000609879659 1078557122 /nfs/dbraw/zinc/55/71/22/1078557122.db2.gz OGYILVXPGLSNTD-UHFFFAOYSA-N -1 3 409.468 0.990 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)n[n-]1 ZINC000609879668 1078557851 /nfs/dbraw/zinc/55/78/51/1078557851.db2.gz PIFIHXGHVUYIBC-UHFFFAOYSA-N -1 3 422.195 0.517 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CC[C@@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)n[n-]1 ZINC000609879708 1078557158 /nfs/dbraw/zinc/55/71/58/1078557158.db2.gz TWNMYAVZDPCYIN-JTQLQIEISA-N -1 3 422.348 0.642 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CC[C@H]2NC(=O)N(c3ccc(F)cc3F)C2=O)n[n-]1 ZINC000609879709 1078557335 /nfs/dbraw/zinc/55/73/35/1078557335.db2.gz TWNMYAVZDPCYIN-SNVBAGLBSA-N -1 3 422.348 0.642 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n[n-]1 ZINC000609879721 1078557233 /nfs/dbraw/zinc/55/72/33/1078557233.db2.gz UVAJNBKACMTXBD-AXFHLTTASA-N -1 3 409.468 0.366 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@H](CSC)N2C(=O)[C@H]3CCCC[C@@H]3C2=O)n[n-]1 ZINC000609879722 1078557349 /nfs/dbraw/zinc/55/73/49/1078557349.db2.gz UVAJNBKACMTXBD-DCAQKATOSA-N -1 3 409.468 0.366 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@H](CSC)N2C(=O)[C@@H]3CCCC[C@H]3C2=O)n[n-]1 ZINC000609879723 1078557116 /nfs/dbraw/zinc/55/71/16/1078557116.db2.gz UVAJNBKACMTXBD-MXWKQRLJSA-N -1 3 409.468 0.366 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@@H](CSC)N2C(=O)[C@@H]3CCCC[C@@H]3C2=O)n[n-]1 ZINC000609879724 1078557167 /nfs/dbraw/zinc/55/71/67/1078557167.db2.gz UVAJNBKACMTXBD-OUAUKWLOSA-N -1 3 409.468 0.366 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CCS(=O)(=O)c2ccc3c(c2)OCCO3)n[n-]1 ZINC000609879767 1078557370 /nfs/dbraw/zinc/55/73/70/1078557370.db2.gz YCPXRFZQYIFJMR-UHFFFAOYSA-N -1 3 410.408 0.094 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)n[n-]1 ZINC000609880010 1078557878 /nfs/dbraw/zinc/55/78/78/1078557878.db2.gz PPILNTRJEQYSQK-JTQLQIEISA-N -1 3 403.395 0.529 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@@H]2CC(=O)N(c3ccc(OC)cc3OC)C2)n[n-]1 ZINC000609880011 1078557805 /nfs/dbraw/zinc/55/78/05/1078557805.db2.gz PPILNTRJEQYSQK-SNVBAGLBSA-N -1 3 403.395 0.529 20 0 HCADHM COC(=O)Cc1nc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)n[n-]1 ZINC000609880065 1078557869 /nfs/dbraw/zinc/55/78/69/1078557869.db2.gz VQMSPLRDJXOFSQ-UHFFFAOYSA-N -1 3 407.452 0.947 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)n[n-]1 ZINC000609880104 1078557887 /nfs/dbraw/zinc/55/78/87/1078557887.db2.gz NQYSOZLQWCIWKA-NEPJUHHUSA-N -1 3 407.427 0.441 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)n[n-]1 ZINC000609880107 1078557920 /nfs/dbraw/zinc/55/79/20/1078557920.db2.gz NQYSOZLQWCIWKA-NWDGAFQWSA-N -1 3 407.427 0.441 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)n[n-]1 ZINC000609880108 1078557773 /nfs/dbraw/zinc/55/77/73/1078557773.db2.gz XTNJJICAYNQVET-UHFFFAOYSA-N -1 3 417.447 0.981 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@@H]2CS[C@@H](Cc3ccccc3F)C(=O)N2)n[n-]1 ZINC000609880109 1078557895 /nfs/dbraw/zinc/55/78/95/1078557895.db2.gz NQYSOZLQWCIWKA-RYUDHWBXSA-N -1 3 407.427 0.441 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@H]2CS[C@H](Cc3ccccc3F)C(=O)N2)n[n-]1 ZINC000609880110 1078558240 /nfs/dbraw/zinc/55/82/40/1078558240.db2.gz NQYSOZLQWCIWKA-VXGBXAGGSA-N -1 3 407.427 0.441 20 0 HCADHM COC(=O)Cc1nc(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n[n-]1 ZINC000609880120 1078557829 /nfs/dbraw/zinc/55/78/29/1078557829.db2.gz YJQCFGTUTZDWKU-UHFFFAOYSA-N -1 3 423.451 0.102 20 0 HCADHM COC(=O)Cc1n[n-]c(NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)n1 ZINC000609880120 1078557826 /nfs/dbraw/zinc/55/78/26/1078557826.db2.gz YJQCFGTUTZDWKU-UHFFFAOYSA-N -1 3 423.451 0.102 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CS(=O)(=O)c2cccc(Br)c2)n[n-]1 ZINC000609880123 1078557762 /nfs/dbraw/zinc/55/77/62/1078557762.db2.gz YTDUIFHDRPKGSI-UHFFFAOYSA-N -1 3 417.241 0.695 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@@H]2CCCCN2S(=O)(=O)c2cccs2)n[n-]1 ZINC000609880138 1078557926 /nfs/dbraw/zinc/55/79/26/1078557926.db2.gz ZPKMAMUFSSMSJZ-JTQLQIEISA-N -1 3 413.481 0.764 20 0 HCADHM COC(=O)Cc1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)n[n-]1 ZINC000609880161 1078557792 /nfs/dbraw/zinc/55/77/92/1078557792.db2.gz QARWLJZBBCCKLQ-UHFFFAOYSA-N -1 3 407.861 0.494 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cccnc2)n[n-]1 ZINC000609880216 1078557863 /nfs/dbraw/zinc/55/78/63/1078557863.db2.gz SPXNQCGMIUQKQJ-HNNXBMFYSA-N -1 3 408.418 0.895 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2cccnc2)n[n-]1 ZINC000609880221 1078557900 /nfs/dbraw/zinc/55/79/00/1078557900.db2.gz SPXNQCGMIUQKQJ-OAHLLOKOSA-N -1 3 408.418 0.895 20 0 HCADHM COC(=O)Cc1nc(NC(=O)[C@H]2CCCN2C(=O)c2ccc(OC)cc2OC)n[n-]1 ZINC000609880429 1078557913 /nfs/dbraw/zinc/55/79/13/1078557913.db2.gz ZVMAMVFIZMLQSB-CYBMUJFWSA-N -1 3 417.422 0.781 20 0 HCADHM COC(=O)CCc1nnc([N-]C(=O)c2cc(S(N)(=O)=O)ccc2OC)s1 ZINC000609888434 1078561262 /nfs/dbraw/zinc/56/12/62/1078561262.db2.gz MUBPSPMCEWYLQB-UHFFFAOYSA-N -1 3 400.438 0.552 20 0 HCADHM COC(=O)CCc1nnc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)s1 ZINC000609888496 1078560838 /nfs/dbraw/zinc/56/08/38/1078560838.db2.gz RYZBVFROFFAJTI-UHFFFAOYSA-N 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CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCNS(C)(=O)=O)cc1 ZINC000610004989 1078589838 /nfs/dbraw/zinc/58/98/38/1078589838.db2.gz ZDFGFWKHEALBRY-UHFFFAOYSA-N -1 3 413.543 0.056 20 0 HCADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@H](C(=O)OC)C2)cc1 ZINC000610005583 1078590710 /nfs/dbraw/zinc/59/07/10/1078590710.db2.gz ZSHWOVVPWRVDPS-HNNXBMFYSA-N -1 3 420.509 0.791 20 0 HCADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCO[C@@H](C(=O)OC)C2)cc1 ZINC000610005584 1078590685 /nfs/dbraw/zinc/59/06/85/1078590685.db2.gz ZSHWOVVPWRVDPS-OAHLLOKOSA-N -1 3 420.509 0.791 20 0 HCADHM CCCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCCS(C)(=O)=O)cc1 ZINC000610007275 1078591206 /nfs/dbraw/zinc/59/12/06/1078591206.db2.gz HPDMSJGQKXFLHC-UHFFFAOYSA-N -1 3 412.555 0.941 20 0 HCADHM COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000610030774 1078600290 /nfs/dbraw/zinc/60/02/90/1078600290.db2.gz CFUSNQWBWWNBBI-UHFFFAOYSA-N -1 3 417.393 0.618 20 0 HCADHM COC(=O)CCCc1nnc([N-]C(=O)c2cnc3c(c2)c(=O)n(C)c(=O)n3C)s1 ZINC000610054943 1078608216 /nfs/dbraw/zinc/60/82/16/1078608216.db2.gz VMXBUKGEJNHHJW-UHFFFAOYSA-N -1 3 418.435 0.232 20 0 HCADHM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC[S@@]1=O ZINC000610075526 1078615868 /nfs/dbraw/zinc/61/58/68/1078615868.db2.gz SDYYKWVQSHVVIS-FHZGZLOMSA-N -1 3 415.356 0.768 20 0 HCADHM C[C@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC[S@]1=O ZINC000610075527 1078615780 /nfs/dbraw/zinc/61/57/80/1078615780.db2.gz SDYYKWVQSHVVIS-FFVOIRBGSA-N -1 3 415.356 0.768 20 0 HCADHM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC[S@]1=O ZINC000610075528 1078616009 /nfs/dbraw/zinc/61/60/09/1078616009.db2.gz SDYYKWVQSHVVIS-ZPWHCFADSA-N -1 3 415.356 0.768 20 0 HCADHM C[C@@H]1CN(C(=O)C[N-]S(=O)(=O)c2ccc(Br)s2)CC[S@@]1=O ZINC000610075529 1078615819 /nfs/dbraw/zinc/61/58/19/1078615819.db2.gz SDYYKWVQSHVVIS-SQFXPLBJSA-N -1 3 415.356 0.768 20 0 HCADHM COC(=O)CCCc1nnc([N-]C(=O)c2cc(S(N)(=O)=O)ccc2OC)s1 ZINC000610076177 1078615853 /nfs/dbraw/zinc/61/58/53/1078615853.db2.gz CWUORPNHEITPIA-UHFFFAOYSA-N -1 3 414.465 0.942 20 0 HCADHM COC(=O)C[C@@H]1CSCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000610124981 1078634001 /nfs/dbraw/zinc/63/40/01/1078634001.db2.gz PODLSYYQUGXSHG-CMPLNLGQSA-N -1 3 405.498 0.465 20 0 HCADHM COC(=O)C[C@H]1CSCCN1C(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C ZINC000610124982 1078633995 /nfs/dbraw/zinc/63/39/95/1078633995.db2.gz PODLSYYQUGXSHG-JQWIXIFHSA-N -1 3 405.498 0.465 20 0 HCADHM CCn1cnnc1C[N-]S(=O)(=O)c1cc2c(cc1Br)NC(=O)CO2 ZINC000615236377 1078844352 /nfs/dbraw/zinc/84/43/52/1078844352.db2.gz VEAZFNHJVQPKNF-UHFFFAOYSA-N -1 3 416.257 0.870 20 0 HCADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN([C@@H](C)C(=O)NC2CC2)CC1 ZINC000615350991 1078660695 /nfs/dbraw/zinc/66/06/95/1078660695.db2.gz WLLXMYVZBBBKEI-HNNXBMFYSA-N -1 3 424.505 0.494 20 0 HCADHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N1CCN([C@H](C)C(=O)NC2CC2)CC1 ZINC000615350992 1078660653 /nfs/dbraw/zinc/66/06/53/1078660653.db2.gz WLLXMYVZBBBKEI-OAHLLOKOSA-N -1 3 424.505 0.494 20 0 HCADHM COc1ccc(NC(=O)CN(C)c2ncnc3[nH]cnc32)cc1[N-]S(C)(=O)=O ZINC000615497644 1078671918 /nfs/dbraw/zinc/67/19/18/1078671918.db2.gz NDTJWBQVHMKQKP-UHFFFAOYSA-N -1 3 405.440 0.808 20 0 HCADHM COC(=O)C[C@@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccncc1 ZINC000615610811 1078675827 /nfs/dbraw/zinc/67/58/27/1078675827.db2.gz CCTUMXJJQBXAAH-LLVKDONJSA-N -1 3 411.212 0.527 20 0 HCADHM COC(=O)C[C@H](NC(=O)Cn1cc(Br)c(=O)[n-]c1=O)c1ccncc1 ZINC000615610812 1078675866 /nfs/dbraw/zinc/67/58/66/1078675866.db2.gz CCTUMXJJQBXAAH-NSHDSACASA-N -1 3 411.212 0.527 20 0 HCADHM COC(=O)C[C@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)c1ccncc1 ZINC000615612144 1078675856 /nfs/dbraw/zinc/67/58/56/1078675856.db2.gz OURTVKVMTBGKPI-FZMZJTMJSA-N -1 3 410.452 0.774 20 0 HCADHM COC(=O)C[C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)c1ccncc1 ZINC000615612148 1078675786 /nfs/dbraw/zinc/67/57/86/1078675786.db2.gz OURTVKVMTBGKPI-SMDDNHRTSA-N -1 3 410.452 0.774 20 0 HCADHM CNS(=O)(=O)c1cccc(NC(=O)Cn2cc(Br)c(=O)[n-]c2=O)c1 ZINC000615733067 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DWFSGVMIFLXAIP-LLVKDONJSA-N -1 3 409.468 0.988 20 0 HCADHM CCOC(=O)c1nnc(CNC(=O)c2ccc(S(=O)(=O)N[C@@H](C)CC)cc2)[n-]1 ZINC000615916581 1078703421 /nfs/dbraw/zinc/70/34/21/1078703421.db2.gz DWFSGVMIFLXAIP-NSHDSACASA-N -1 3 409.468 0.988 20 0 HCADHM CCOC(=O)c1nnc(CNC(=O)CNC(=O)c2cccc(Br)c2)[n-]1 ZINC000615916999 1078703480 /nfs/dbraw/zinc/70/34/80/1078703480.db2.gz IZLUEYZAIOFLNB-UHFFFAOYSA-N -1 3 410.228 0.790 20 0 HCADHM CCOC(=O)c1nnc(CNC(=O)[C@@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[n-]1 ZINC000615917467 1078703635 /nfs/dbraw/zinc/70/36/35/1078703635.db2.gz NBCOWQIHGQRRMF-HZSPNIEDSA-N -1 3 417.466 0.964 20 0 HCADHM CCOC(=O)c1nnc(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)[n-]1 ZINC000615917469 1078703607 /nfs/dbraw/zinc/70/36/07/1078703607.db2.gz NBCOWQIHGQRRMF-IHRRRGAJSA-N -1 3 417.466 0.964 20 0 HCADHM CCOC(=O)c1nnc(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)[n-]1 ZINC000615917470 1078703576 /nfs/dbraw/zinc/70/35/76/1078703576.db2.gz NBCOWQIHGQRRMF-MCIONIFRSA-N -1 3 417.466 0.964 20 0 HCADHM CCOC(=O)c1nnc(CNC(=O)[C@H](CC(C)C)N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)[n-]1 ZINC000615917471 1078703449 /nfs/dbraw/zinc/70/34/49/1078703449.db2.gz NBCOWQIHGQRRMF-MJBXVCDLSA-N -1 3 417.466 0.964 20 0 HCADHM CCOC(=O)c1nnc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)[n-]1 ZINC000615918037 1078704114 /nfs/dbraw/zinc/70/41/14/1078704114.db2.gz QMRGKTWBPZMJJO-CYBMUJFWSA-N -1 3 401.423 0.655 20 0 HCADHM CCOC(=O)c1nnc(CNC(=O)[C@H]2CC(=O)N(Cc3ccc(OC)cc3)C2)[n-]1 ZINC000615918038 1078704237 /nfs/dbraw/zinc/70/42/37/1078704237.db2.gz QMRGKTWBPZMJJO-ZDUSSCGKSA-N -1 3 401.423 0.655 20 0 HCADHM CCOC(=O)c1nnc(CNC(=O)c2sccc2S(=O)(=O)N2CCCC2)[n-]1 ZINC000615918702 1078704380 /nfs/dbraw/zinc/70/43/80/1078704380.db2.gz XGWUJMDZFPZYNC-UHFFFAOYSA-N -1 3 413.481 0.757 20 0 HCADHM CCOC(=O)c1nnc(CNC(=O)c2cc(Cl)c(OCC(N)=O)c(OC)c2)[n-]1 ZINC000615918757 1078704182 /nfs/dbraw/zinc/70/41/82/1078704182.db2.gz ZMFANWFKKNZBEM-UHFFFAOYSA-N -1 3 411.802 0.438 20 0 HCADHM 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CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(S(N)(=O)=O)c(C)c3)CC2)n[n-]1 ZINC000618291136 1078858304 /nfs/dbraw/zinc/85/83/04/1078858304.db2.gz AQOBGPXAUJYANB-UHFFFAOYSA-N -1 3 421.479 0.957 20 0 HCADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)[n-]1 ZINC000618291162 1078858346 /nfs/dbraw/zinc/85/83/46/1078858346.db2.gz UETGIPUUCMSOGG-CYBMUJFWSA-N -1 3 413.500 0.502 20 0 HCADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@H]3CCCCN3S(C)(=O)=O)CC2)n[n-]1 ZINC000618291162 1078858343 /nfs/dbraw/zinc/85/83/43/1078858343.db2.gz UETGIPUUCMSOGG-CYBMUJFWSA-N -1 3 413.500 0.502 20 0 HCADHM CCOC(=O)c1nnc(C2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)[n-]1 ZINC000618291163 1078858233 /nfs/dbraw/zinc/85/82/33/1078858233.db2.gz UETGIPUUCMSOGG-ZDUSSCGKSA-N -1 3 413.500 0.502 20 0 HCADHM CCOC(=O)c1nc(C2CCN(C(=O)[C@@H]3CCCCN3S(C)(=O)=O)CC2)n[n-]1 ZINC000618291163 1078858232 /nfs/dbraw/zinc/85/82/32/1078858232.db2.gz UETGIPUUCMSOGG-ZDUSSCGKSA-N -1 3 413.500 0.502 20 0 HCADHM CCOC(=O)c1nnc(C2CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC2)[n-]1 ZINC000618292499 1078858390 /nfs/dbraw/zinc/85/83/90/1078858390.db2.gz WGPOZXKZBQXJGZ-UHFFFAOYSA-N -1 3 401.489 0.405 20 0 HCADHM CCOC(=O)c1nc(C2CCN(C(=O)CS(=O)(=O)NC(C)(C)C)CC2)n[n-]1 ZINC000618292499 1078858387 /nfs/dbraw/zinc/85/83/87/1078858387.db2.gz WGPOZXKZBQXJGZ-UHFFFAOYSA-N -1 3 401.489 0.405 20 0 HCADHM CCOC(=O)c1nnc(C2CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC2)[n-]1 ZINC000618355657 1078858752 /nfs/dbraw/zinc/85/87/52/1078858752.db2.gz HVIGTZIDTDVIHL-UHFFFAOYSA-N -1 3 416.504 0.152 20 0 HCADHM CCOC(=O)c1nc(C2CCN(C(=O)NCCCN(C)S(C)(=O)=O)CC2)n[n-]1 ZINC000618355657 1078858750 /nfs/dbraw/zinc/85/87/50/1078858750.db2.gz HVIGTZIDTDVIHL-UHFFFAOYSA-N -1 3 416.504 0.152 20 0 HCADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cnn(CC(=O)N(C)C)c3)CC2)[n-]1 ZINC000618377972 1078859127 /nfs/dbraw/zinc/85/91/27/1078859127.db2.gz SZZNIYPXXXSBIJ-UHFFFAOYSA-N -1 3 418.458 0.678 20 0 HCADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cnn(CC(=O)N(C)C)c3)CC2)n[n-]1 ZINC000618377972 1078859124 /nfs/dbraw/zinc/85/91/24/1078859124.db2.gz SZZNIYPXXXSBIJ-UHFFFAOYSA-N -1 3 418.458 0.678 20 0 HCADHM CCOC(=O)c1nnc(C2CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC2)[n-]1 ZINC000618379415 1078859096 /nfs/dbraw/zinc/85/90/96/1078859096.db2.gz QMBOWQLRFOZSIO-UHFFFAOYSA-N -1 3 416.504 0.198 20 0 HCADHM CCOC(=O)c1nc(C2CCN(C(=O)NCC(C)(C)NS(C)(=O)=O)CC2)n[n-]1 ZINC000618379415 1078859094 /nfs/dbraw/zinc/85/90/94/1078859094.db2.gz QMBOWQLRFOZSIO-UHFFFAOYSA-N -1 3 416.504 0.198 20 0 HCADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3cnn(CC(=O)NC)c3)CC2)[n-]1 ZINC000618383328 1078859876 /nfs/dbraw/zinc/85/98/76/1078859876.db2.gz GYOPMKAQNMKADO-UHFFFAOYSA-N -1 3 404.431 0.335 20 0 HCADHM CCOC(=O)c1nc(C2CCN(C(=O)Nc3cnn(CC(=O)NC)c3)CC2)n[n-]1 ZINC000618383328 1078859875 /nfs/dbraw/zinc/85/98/75/1078859875.db2.gz GYOPMKAQNMKADO-UHFFFAOYSA-N -1 3 404.431 0.335 20 0 HCADHM CCOC(=O)c1nnc(C2CCN(C(=O)NCC(C)(C)S(C)(=O)=O)CC2)[n-]1 ZINC000618390671 1078859186 /nfs/dbraw/zinc/85/91/86/1078859186.db2.gz HFEULBKGULHPLR-UHFFFAOYSA-N -1 3 401.489 0.694 20 0 HCADHM 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ZINC000618919093 1078878428 /nfs/dbraw/zinc/87/84/28/1078878428.db2.gz BLSYCOAANYKWGY-UHFFFAOYSA-N -1 3 408.436 0.860 20 0 HCADHM CCOC(=O)c1nc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)c[n-]1 ZINC000618919154 1078878353 /nfs/dbraw/zinc/87/83/53/1078878353.db2.gz DMRNELCAXPMJJX-UHFFFAOYSA-N -1 3 406.395 0.981 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)CNC(=O)c2cc(OC)c(OC)c(OC)c2)[n-]1 ZINC000618919154 1078878350 /nfs/dbraw/zinc/87/83/50/1078878350.db2.gz DMRNELCAXPMJJX-UHFFFAOYSA-N -1 3 406.395 0.981 20 0 HCADHM CCOC(=O)c1nc(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)c[n-]1 ZINC000618919289 1078878441 /nfs/dbraw/zinc/87/84/41/1078878441.db2.gz GDFFSLRXZPNKTG-UHFFFAOYSA-N -1 3 423.451 0.804 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)CN(C)S(=O)(=O)c2ccc(NC(C)=O)cc2)[n-]1 ZINC000618919289 1078878440 /nfs/dbraw/zinc/87/84/40/1078878440.db2.gz GDFFSLRXZPNKTG-UHFFFAOYSA-N -1 3 423.451 0.804 20 0 HCADHM CCOC(=O)c1nc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c[n-]1 ZINC000618919526 1078878416 /nfs/dbraw/zinc/87/84/16/1078878416.db2.gz 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CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCc3nnnn3C3CC3)c2)[n-]1 ZINC000619033286 1078882373 /nfs/dbraw/zinc/88/23/73/1078882373.db2.gz RXRROCBMKQURRE-UHFFFAOYSA-N -1 3 411.426 0.969 20 0 HCADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)NCCC3CS(=O)(=O)C3)c2)n[n-]1 ZINC000619038675 1078883558 /nfs/dbraw/zinc/88/35/58/1078883558.db2.gz LKIYBGIGYBQPAO-UHFFFAOYSA-N -1 3 421.479 0.882 20 0 HCADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)NCCC3CS(=O)(=O)C3)c2)[n-]1 ZINC000619038675 1078883556 /nfs/dbraw/zinc/88/35/56/1078883556.db2.gz LKIYBGIGYBQPAO-UHFFFAOYSA-N -1 3 421.479 0.882 20 0 HCADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)CS(=O)(=O)NC(C)(C)C)c2)n[n-]1 ZINC000619141552 1078886518 /nfs/dbraw/zinc/88/65/18/1078886518.db2.gz RITQDDCGRLXSMB-UHFFFAOYSA-N -1 3 423.495 0.983 20 0 HCADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)CS(=O)(=O)NC(C)(C)C)c2)[n-]1 ZINC000619141552 1078886514 /nfs/dbraw/zinc/88/65/14/1078886514.db2.gz RITQDDCGRLXSMB-UHFFFAOYSA-N -1 3 423.495 0.983 20 0 HCADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@@H]3CCCN3S(C)(=O)=O)c2)n[n-]1 ZINC000619143028 1078886763 /nfs/dbraw/zinc/88/67/63/1078886763.db2.gz UEPCORKUJCMEQO-AWEZNQCLSA-N -1 3 421.479 0.689 20 0 HCADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@@H]3CCCN3S(C)(=O)=O)c2)[n-]1 ZINC000619143028 1078886758 /nfs/dbraw/zinc/88/67/58/1078886758.db2.gz UEPCORKUJCMEQO-AWEZNQCLSA-N -1 3 421.479 0.689 20 0 HCADHM CCOC(=O)c1nc(-c2cccc(CNC(=O)[C@H]3CCCN3S(C)(=O)=O)c2)n[n-]1 ZINC000619143029 1078886671 /nfs/dbraw/zinc/88/66/71/1078886671.db2.gz UEPCORKUJCMEQO-CQSZACIVSA-N -1 3 421.479 0.689 20 0 HCADHM CCOC(=O)c1nnc(-c2cccc(CNC(=O)[C@H]3CCCN3S(C)(=O)=O)c2)[n-]1 ZINC000619143029 1078886667 /nfs/dbraw/zinc/88/66/67/1078886667.db2.gz UEPCORKUJCMEQO-CQSZACIVSA-N -1 3 421.479 0.689 20 0 HCADHM COC(=O)[C@@H]([N-]S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1)C(C)C ZINC000619166398 1078887991 /nfs/dbraw/zinc/88/79/91/1078887991.db2.gz ZJUOXRHXPKVTJU-AWEZNQCLSA-N -1 3 410.489 0.563 20 0 HCADHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000619166859 1078888063 /nfs/dbraw/zinc/88/80/63/1078888063.db2.gz BBEJKDVLVMAVCK-HNNXBMFYSA-N -1 3 424.516 0.953 20 0 HCADHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000619166860 1078888201 /nfs/dbraw/zinc/88/82/01/1078888201.db2.gz BBEJKDVLVMAVCK-OAHLLOKOSA-N -1 3 424.516 0.953 20 0 HCADHM CCOC(=O)c1nc(NC(=O)c2cnc3c(c(=O)n(C)c(=O)n3C)c2CC)c[n-]1 ZINC000619446675 1078898391 /nfs/dbraw/zinc/89/83/91/1078898391.db2.gz TZRQTKUDHURGNK-UHFFFAOYSA-N -1 3 400.395 0.347 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)c2cnc3c(c(=O)n(C)c(=O)n3C)c2CC)[n-]1 ZINC000619446675 1078898388 /nfs/dbraw/zinc/89/83/88/1078898388.db2.gz TZRQTKUDHURGNK-UHFFFAOYSA-N -1 3 400.395 0.347 20 0 HCADHM CCOC(=O)c1nc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c[n-]1 ZINC000619447515 1078898332 /nfs/dbraw/zinc/89/83/32/1078898332.db2.gz DJXJHRXRUOKTLX-UHFFFAOYSA-N -1 3 424.483 0.966 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)[n-]1 ZINC000619447515 1078898330 /nfs/dbraw/zinc/89/83/30/1078898330.db2.gz DJXJHRXRUOKTLX-UHFFFAOYSA-N -1 3 424.483 0.966 20 0 HCADHM CCOC(=O)c1nc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)c[n-]1 ZINC000619447529 1078898420 /nfs/dbraw/zinc/89/84/20/1078898420.db2.gz DTTUUMKMDHXVPI-UHFFFAOYSA-N -1 3 403.380 0.250 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)[n-]1 ZINC000619447529 1078898417 /nfs/dbraw/zinc/89/84/17/1078898417.db2.gz DTTUUMKMDHXVPI-UHFFFAOYSA-N -1 3 403.380 0.250 20 0 HCADHM CCOC(=O)c1nc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c[n-]1 ZINC000619447815 1078898213 /nfs/dbraw/zinc/89/82/13/1078898213.db2.gz PYKSYHGYKCCKNI-GFCCVEGCSA-N -1 3 424.483 0.966 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)[n-]1 ZINC000619447815 1078898211 /nfs/dbraw/zinc/89/82/11/1078898211.db2.gz PYKSYHGYKCCKNI-GFCCVEGCSA-N -1 3 424.483 0.966 20 0 HCADHM CCOC(=O)c1nc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c[n-]1 ZINC000619447816 1078898280 /nfs/dbraw/zinc/89/82/80/1078898280.db2.gz PYKSYHGYKCCKNI-LBPRGKRZSA-N -1 3 424.483 0.966 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)[n-]1 ZINC000619447816 1078898275 /nfs/dbraw/zinc/89/82/75/1078898275.db2.gz PYKSYHGYKCCKNI-LBPRGKRZSA-N -1 3 424.483 0.966 20 0 HCADHM CCOC(=O)c1nc(NC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)c[n-]1 ZINC000619448749 1078898826 /nfs/dbraw/zinc/89/88/26/1078898826.db2.gz DXQHZQZRPJDOFH-UHFFFAOYSA-N -1 3 400.388 0.563 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)Cc2cc(F)c(OC)c(S(N)(=O)=O)c2)[n-]1 ZINC000619448749 1078898824 /nfs/dbraw/zinc/89/88/24/1078898824.db2.gz DXQHZQZRPJDOFH-UHFFFAOYSA-N -1 3 400.388 0.563 20 0 HCADHM CCOC(=O)c1nc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)c[n-]1 ZINC000619448889 1078898247 /nfs/dbraw/zinc/89/82/47/1078898247.db2.gz KCYLNTLMCVRSLJ-UHFFFAOYSA-N -1 3 411.440 0.198 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)[n-]1 ZINC000619448889 1078898246 /nfs/dbraw/zinc/89/82/46/1078898246.db2.gz KCYLNTLMCVRSLJ-UHFFFAOYSA-N -1 3 411.440 0.198 20 0 HCADHM CCOC(=O)c1nc(NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c[n-]1 ZINC000619449012 1078898413 /nfs/dbraw/zinc/89/84/13/1078898413.db2.gz OHOVTODUNUFCIA-GFCCVEGCSA-N -1 3 413.390 0.455 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)[n-]1 ZINC000619449012 1078898408 /nfs/dbraw/zinc/89/84/08/1078898408.db2.gz OHOVTODUNUFCIA-GFCCVEGCSA-N -1 3 413.390 0.455 20 0 HCADHM CCOC(=O)c1nc(NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)c[n-]1 ZINC000619449013 1078898846 /nfs/dbraw/zinc/89/88/46/1078898846.db2.gz OHOVTODUNUFCIA-LBPRGKRZSA-N -1 3 413.390 0.455 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)[n-]1 ZINC000619449013 1078898844 /nfs/dbraw/zinc/89/88/44/1078898844.db2.gz OHOVTODUNUFCIA-LBPRGKRZSA-N -1 3 413.390 0.455 20 0 HCADHM CCOC(=O)c1nc(NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)c[n-]1 ZINC000619449037 1078898365 /nfs/dbraw/zinc/89/83/65/1078898365.db2.gz PEUXNAVONNNMLN-UHFFFAOYSA-N -1 3 401.427 0.444 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)[n-]1 ZINC000619449037 1078898361 /nfs/dbraw/zinc/89/83/61/1078898361.db2.gz PEUXNAVONNNMLN-UHFFFAOYSA-N -1 3 401.427 0.444 20 0 HCADHM CCOC(=O)c1nc(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)c[n-]1 ZINC000619449075 1078898321 /nfs/dbraw/zinc/89/83/21/1078898321.db2.gz QRPHRBPCKXMKJD-BXUZGUMPSA-N -1 3 410.452 0.561 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)[n-]1 ZINC000619449075 1078898320 /nfs/dbraw/zinc/89/83/20/1078898320.db2.gz QRPHRBPCKXMKJD-BXUZGUMPSA-N -1 3 410.452 0.561 20 0 HCADHM CCOC(=O)c1nc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)c[n-]1 ZINC000619449076 1078898404 /nfs/dbraw/zinc/89/84/04/1078898404.db2.gz QRPHRBPCKXMKJD-FZMZJTMJSA-N -1 3 410.452 0.561 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)[n-]1 ZINC000619449076 1078898402 /nfs/dbraw/zinc/89/84/02/1078898402.db2.gz QRPHRBPCKXMKJD-FZMZJTMJSA-N -1 3 410.452 0.561 20 0 HCADHM CCOC(=O)c1nc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)c[n-]1 ZINC000619449077 1078898300 /nfs/dbraw/zinc/89/83/00/1078898300.db2.gz QRPHRBPCKXMKJD-RISCZKNCSA-N -1 3 410.452 0.561 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)[C@@H](NS(=O)(=O)c2ccc(C)cc2)[C@@H](C)O)[n-]1 ZINC000619449077 1078898298 /nfs/dbraw/zinc/89/82/98/1078898298.db2.gz QRPHRBPCKXMKJD-RISCZKNCSA-N -1 3 410.452 0.561 20 0 HCADHM CCOC(=O)c1nc(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)c[n-]1 ZINC000619449078 1078898372 /nfs/dbraw/zinc/89/83/72/1078898372.db2.gz QRPHRBPCKXMKJD-SMDDNHRTSA-N -1 3 410.452 0.561 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)[n-]1 ZINC000619449078 1078898371 /nfs/dbraw/zinc/89/83/71/1078898371.db2.gz QRPHRBPCKXMKJD-SMDDNHRTSA-N -1 3 410.452 0.561 20 0 HCADHM CCOC(=O)c1nc(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c[n-]1 ZINC000619449270 1078898231 /nfs/dbraw/zinc/89/82/31/1078898231.db2.gz ZGYMKYOEULNYSS-JTQLQIEISA-N -1 3 421.435 0.225 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)[n-]1 ZINC000619449270 1078898230 /nfs/dbraw/zinc/89/82/30/1078898230.db2.gz ZGYMKYOEULNYSS-JTQLQIEISA-N -1 3 421.435 0.225 20 0 HCADHM CCOC(=O)c1nc(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)c[n-]1 ZINC000619449271 1078898314 /nfs/dbraw/zinc/89/83/14/1078898314.db2.gz ZGYMKYOEULNYSS-SNVBAGLBSA-N -1 3 421.435 0.225 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)[n-]1 ZINC000619449271 1078898311 /nfs/dbraw/zinc/89/83/11/1078898311.db2.gz ZGYMKYOEULNYSS-SNVBAGLBSA-N -1 3 421.435 0.225 20 0 HCADHM CCOC(=O)c1nc(NC(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)c[n-]1 ZINC000619449286 1078898346 /nfs/dbraw/zinc/89/83/46/1078898346.db2.gz AAWJIYUSPXKNJG-UHFFFAOYSA-N -1 3 424.435 0.680 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)[n-]1 ZINC000619449286 1078898344 /nfs/dbraw/zinc/89/83/44/1078898344.db2.gz AAWJIYUSPXKNJG-UHFFFAOYSA-N -1 3 424.435 0.680 20 0 HCADHM CCOC(=O)c1nc(NC(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)c[n-]1 ZINC000619449455 1078900543 /nfs/dbraw/zinc/90/05/43/1078900543.db2.gz HSGCAFILOUWVDF-UHFFFAOYSA-N -1 3 410.398 0.403 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)Cc2c(C)nn(-c3cncc4nnnn43)c2C)[n-]1 ZINC000619449455 1078900537 /nfs/dbraw/zinc/90/05/37/1078900537.db2.gz HSGCAFILOUWVDF-UHFFFAOYSA-N -1 3 410.398 0.403 20 0 HCADHM CCOC(=O)c1nc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c[n-]1 ZINC000619449712 1078900437 /nfs/dbraw/zinc/90/04/37/1078900437.db2.gz RUMYXDNTJCFIQS-UHFFFAOYSA-N -1 3 423.451 0.205 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)[n-]1 ZINC000619449712 1078900430 /nfs/dbraw/zinc/90/04/30/1078900430.db2.gz RUMYXDNTJCFIQS-UHFFFAOYSA-N -1 3 423.451 0.205 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-]Cc2cc(S(N)(=O)=O)ccc2F)c(F)c1 ZINC000619484033 1078903363 /nfs/dbraw/zinc/90/33/63/1078903363.db2.gz LVKJGQGDMPGBTN-UHFFFAOYSA-N -1 3 420.415 0.877 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(F)c1 ZINC000619487952 1078903895 /nfs/dbraw/zinc/90/38/95/1078903895.db2.gz HWDASIFZNMHNFM-HZMBPMFUSA-N -1 3 410.427 0.818 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)c(F)c1 ZINC000619487953 1078904013 /nfs/dbraw/zinc/90/40/13/1078904013.db2.gz HWDASIFZNMHNFM-IINYFYTJSA-N -1 3 410.427 0.818 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c(F)c1 ZINC000619487954 1078904062 /nfs/dbraw/zinc/90/40/62/1078904062.db2.gz HWDASIFZNMHNFM-QMTHXVAHSA-N -1 3 410.427 0.818 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)c(F)c1 ZINC000619487955 1078903854 /nfs/dbraw/zinc/90/38/54/1078903854.db2.gz HWDASIFZNMHNFM-YGRLFVJLSA-N -1 3 410.427 0.818 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2CCN(C3CCOCC3)C2=O)c(F)c1 ZINC000619488887 1078903974 /nfs/dbraw/zinc/90/39/74/1078903974.db2.gz LOGDIGVWBAXSMR-AWEZNQCLSA-N -1 3 400.428 0.671 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-][C@@H]2CCN(C3CCOCC3)C2=O)c(F)c1 ZINC000619488888 1078903915 /nfs/dbraw/zinc/90/39/15/1078903915.db2.gz LOGDIGVWBAXSMR-CQSZACIVSA-N -1 3 400.428 0.671 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(F)c1 ZINC000619489056 1078904036 /nfs/dbraw/zinc/90/40/36/1078904036.db2.gz ZNZRTLFUFRNLAS-APPDUMDISA-N -1 3 413.427 0.611 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)c(F)c1 ZINC000619489057 1078903870 /nfs/dbraw/zinc/90/38/70/1078903870.db2.gz ZNZRTLFUFRNLAS-DIFFPNOSSA-N -1 3 413.427 0.611 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)c(F)c1 ZINC000619489058 1078903955 /nfs/dbraw/zinc/90/39/55/1078903955.db2.gz ZNZRTLFUFRNLAS-GTNSWQLSSA-N -1 3 413.427 0.611 20 0 HCADHM COC(=O)c1ccc(S(=O)(=O)[N-]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)c(F)c1 ZINC000619489059 1078903817 /nfs/dbraw/zinc/90/38/17/1078903817.db2.gz ZNZRTLFUFRNLAS-PIGZYNQJSA-N -1 3 413.427 0.611 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@@H](F)C[C@H]2C(=O)OC)c(OC)c1 ZINC000619505239 1078905835 /nfs/dbraw/zinc/90/58/35/1078905835.db2.gz CVACZLLETVEIET-JQWIXIFHSA-N -1 3 424.472 0.731 20 0 HCADHM CCOC(=O)c1nc(NC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)c[n-]1 ZINC000619544034 1078913257 /nfs/dbraw/zinc/91/32/57/1078913257.db2.gz AINVEGXMMCZTLR-GOSISDBHSA-N -1 3 422.463 0.980 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)[C@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)[n-]1 ZINC000619544034 1078913245 /nfs/dbraw/zinc/91/32/45/1078913245.db2.gz AINVEGXMMCZTLR-GOSISDBHSA-N -1 3 422.463 0.980 20 0 HCADHM CCOC(=O)c1nc(NC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)c[n-]1 ZINC000619544035 1078913170 /nfs/dbraw/zinc/91/31/70/1078913170.db2.gz AINVEGXMMCZTLR-SFHVURJKSA-N -1 3 422.463 0.980 20 0 HCADHM CCOC(=O)c1ncc(NC(=O)[C@@](C)(NC(C)=O)c2ccc(S(C)(=O)=O)cc2)[n-]1 ZINC000619544035 1078913162 /nfs/dbraw/zinc/91/31/62/1078913162.db2.gz AINVEGXMMCZTLR-SFHVURJKSA-N -1 3 422.463 0.980 20 0 HCADHM CCOC(=O)c1nnc(C2CCN(C(=O)Nc3ccc(C(=O)OC)nn3)CC2)[n-]1 ZINC000619637171 1078921438 /nfs/dbraw/zinc/92/14/38/1078921438.db2.gz SQVQUVORZPCKEH-UHFFFAOYSA-N -1 3 403.399 0.970 20 0 HCADHM 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COc1ccc(C[C@H](CO)C[N-]S(=O)(=O)c2cnc(NC(C)=O)s2)cc1O ZINC000672386444 1080591410 /nfs/dbraw/zinc/59/14/10/1080591410.db2.gz ZDOGQFAUEDDTOE-LBPRGKRZSA-N -1 3 415.493 0.945 20 0 HCADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H]2CCC[C@@]23NC(=O)N(C)C3=O)s1 ZINC000672388867 1080588405 /nfs/dbraw/zinc/58/84/05/1080588405.db2.gz OROXBENVKPFGMN-LKFCYVNXSA-N -1 3 401.470 0.100 20 0 HCADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@H]2CCC[C@]23NC(=O)N(C)C3=O)s1 ZINC000672388868 1080588444 /nfs/dbraw/zinc/58/84/44/1080588444.db2.gz OROXBENVKPFGMN-OTYXRUKQSA-N -1 3 401.470 0.100 20 0 HCADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H]2CCC[C@]23NC(=O)N(C)C3=O)s1 ZINC000672388869 1080588252 /nfs/dbraw/zinc/58/82/52/1080588252.db2.gz OROXBENVKPFGMN-XPTSAGLGSA-N -1 3 401.470 0.100 20 0 HCADHM CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@H]2CCC[C@@]23NC(=O)N(C)C3=O)s1 ZINC000672388870 1080588311 /nfs/dbraw/zinc/58/83/11/1080588311.db2.gz OROXBENVKPFGMN-YMTOWFKASA-N -1 3 401.470 0.100 20 0 HCADHM CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCc2cnc(C)[n-]c2=O)cc1 ZINC000672400645 1080592631 /nfs/dbraw/zinc/59/26/31/1080592631.db2.gz UGLCOLYTTPJMGW-UHFFFAOYSA-N -1 3 400.482 0.657 20 0 HCADHM CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCc3c(nc[n-]c3=O)C2)cc1 ZINC000672400660 1080592772 /nfs/dbraw/zinc/59/27/72/1080592772.db2.gz WKKPOMPBQWUXCI-UHFFFAOYSA-N -1 3 412.493 0.618 20 0 HCADHM CS(=O)(=O)N1CC(C[N-]S(=O)(=O)c2c(F)cccc2OC(F)(F)F)C1 ZINC000672403136 1080594487 /nfs/dbraw/zinc/59/44/87/1080594487.db2.gz ATSCKYXLJQYXMN-UHFFFAOYSA-N -1 3 406.379 0.894 20 0 HCADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](C(=O)N3CCCC3)C2)cc1F ZINC000672425170 1080601050 /nfs/dbraw/zinc/60/10/50/1080601050.db2.gz WICNHYCFKNVCCR-GFCCVEGCSA-N -1 3 419.500 0.830 20 0 HCADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](C(=O)N3CCCC3)C2)cc1F ZINC000672425171 1080600866 /nfs/dbraw/zinc/60/08/66/1080600866.db2.gz WICNHYCFKNVCCR-LBPRGKRZSA-N -1 3 419.500 0.830 20 0 HCADHM Cn1nnnc1CCNC(=O)NCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000672484757 1080636930 /nfs/dbraw/zinc/63/69/30/1080636930.db2.gz ROTBVXIJEIRNNG-UHFFFAOYSA-N -1 3 422.298 0.337 20 0 HCADHM Cn1cc(CNC(=O)NCC[N-]S(=O)(=O)c2cccc(Cl)c2Cl)nn1 ZINC000672491019 1080639102 /nfs/dbraw/zinc/63/91/02/1080639102.db2.gz MZPNHMAFBADDCA-UHFFFAOYSA-N -1 3 407.283 0.900 20 0 HCADHM CC[C@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C[C@@H](C)S1(=O)=O ZINC000672514559 1080659924 /nfs/dbraw/zinc/65/99/24/1080659924.db2.gz HLCNYBPFHAEDDI-CDMKHQONSA-N -1 3 407.514 0.382 20 0 HCADHM CC[C@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C[C@H](C)S1(=O)=O ZINC000672514560 1080659895 /nfs/dbraw/zinc/65/98/95/1080659895.db2.gz HLCNYBPFHAEDDI-GAFUQQFSSA-N -1 3 407.514 0.382 20 0 HCADHM CC[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C[C@@H](C)S1(=O)=O ZINC000672514561 1080659933 /nfs/dbraw/zinc/65/99/33/1080659933.db2.gz HLCNYBPFHAEDDI-SUZMYJTESA-N -1 3 407.514 0.382 20 0 HCADHM CC[C@@H]1CN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C[C@H](C)S1(=O)=O ZINC000672514562 1080659904 /nfs/dbraw/zinc/65/99/04/1080659904.db2.gz HLCNYBPFHAEDDI-XHVZSJERSA-N -1 3 407.514 0.382 20 0 HCADHM CN(C)S(=O)(=O)N1CCN(C(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000672733774 1080768549 /nfs/dbraw/zinc/76/85/49/1080768549.db2.gz AFQLGCDLTZJYMS-UHFFFAOYSA-N -1 3 400.407 0.371 20 0 HCADHM CS(=O)(=O)N1CCN(CCNC(=O)c2c[n-]c3c(F)cc(F)cc3c2=O)CC1 ZINC000672773695 1080776652 /nfs/dbraw/zinc/77/66/52/1080776652.db2.gz BDLBTAHKTBVWRI-UHFFFAOYSA-N -1 3 414.434 0.113 20 0 HCADHM CN(C)c1nc(C[N-]S(=O)(=O)c2ccccc2S(=O)(=O)N(C)C)cs1 ZINC000672779797 1080782868 /nfs/dbraw/zinc/78/28/68/1080782868.db2.gz DMHHUZLENSVDJO-UHFFFAOYSA-N -1 3 404.539 0.938 20 0 HCADHM O=c1[n-]cnc2c1CCN(S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1)C2 ZINC000672816902 1080791548 /nfs/dbraw/zinc/79/15/48/1080791548.db2.gz DKNHYHYPLQMBLK-UHFFFAOYSA-N -1 3 410.477 0.370 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(F)(F)C[C@@H]2CO)c(OC)c1 ZINC000672864175 1080802547 /nfs/dbraw/zinc/80/25/47/1080802547.db2.gz NLQBENPURYKUEW-LLVKDONJSA-N -1 3 414.452 0.847 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC(F)(F)C[C@H]2CO)c(OC)c1 ZINC000672864177 1080802524 /nfs/dbraw/zinc/80/25/24/1080802524.db2.gz NLQBENPURYKUEW-NSHDSACASA-N -1 3 414.452 0.847 20 0 HCADHM CC1(C)CN(S(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CCN1CCO ZINC000672879117 1080806353 /nfs/dbraw/zinc/80/63/53/1080806353.db2.gz BTNSYUAITJJHLI-UHFFFAOYSA-N -1 3 409.505 0.274 20 0 HCADHM CC1(C)CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)CCN1CCO ZINC000672970477 1080836609 /nfs/dbraw/zinc/83/66/09/1080836609.db2.gz JQIFGAHKTPMBKB-UHFFFAOYSA-N -1 3 424.976 0.778 20 0 HCADHM CC1(C)CN(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)CCN1CCO ZINC000673058015 1080865434 /nfs/dbraw/zinc/86/54/34/1080865434.db2.gz MTQIOAMXHZUFDY-UHFFFAOYSA-N -1 3 420.482 0.341 20 0 HCADHM NC(=O)C[C@@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000673058043 1080865494 /nfs/dbraw/zinc/86/54/94/1080865494.db2.gz QAPMPXREDDRWID-JTQLQIEISA-N -1 3 406.867 0.664 20 0 HCADHM NC(=O)C[C@H]1CCN(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000673058045 1080865526 /nfs/dbraw/zinc/86/55/26/1080865526.db2.gz QAPMPXREDDRWID-SNVBAGLBSA-N -1 3 406.867 0.664 20 0 HCADHM CCN1CCN(CCNC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2[O-])CC1 ZINC000673141401 1080893451 /nfs/dbraw/zinc/89/34/51/1080893451.db2.gz QVFKNLAXKNZUFL-UHFFFAOYSA-N -1 3 410.540 0.544 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CC[C@H](CC(N)=O)C2)cc1OC ZINC000673175826 1080902618 /nfs/dbraw/zinc/90/26/18/1080902618.db2.gz RVHNKRPZIHFROS-LLVKDONJSA-N -1 3 412.468 0.119 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(NC(=O)C(=O)N2CC[C@@H](CC(N)=O)C2)cc1OC ZINC000673175827 1080902381 /nfs/dbraw/zinc/90/23/81/1080902381.db2.gz RVHNKRPZIHFROS-NSHDSACASA-N -1 3 412.468 0.119 20 0 HCADHM CC(=O)NCC[C@H]1CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000673364643 1081034804 /nfs/dbraw/zinc/03/48/04/1081034804.db2.gz BTAZXMZYNINCAL-SWLSCSKDSA-N -1 3 400.501 0.723 20 0 HCADHM CC(=O)NCC[C@@H]1CCCN(C(=O)[C@H](C)[N-]S(=O)(=O)c2c(C)noc2C)C1 ZINC000673364644 1081034781 /nfs/dbraw/zinc/03/47/81/1081034781.db2.gz BTAZXMZYNINCAL-WFASDCNBSA-N -1 3 400.501 0.723 20 0 HCADHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N3CCC(O)(C(N)=O)CC3)cs2)c1 ZINC000673446850 1081121944 /nfs/dbraw/zinc/12/19/44/1081121944.db2.gz PAGDIJRGGFUPOI-UHFFFAOYSA-N -1 3 418.475 0.791 20 0 HCADHM C[N-]S(=O)(=O)c1cc(C(=O)N(CCn2ccnc2)Cc2cnn(C)c2)c(C)o1 ZINC000673452623 1081137558 /nfs/dbraw/zinc/13/75/58/1081137558.db2.gz ATGACVUMRHBEGJ-UHFFFAOYSA-N -1 3 406.468 0.769 20 0 HCADHM O=C(Cn1cc(Br)c(=O)[n-]c1=O)Nc1ccc(-n2c(=O)[nH][nH]c2=O)cc1 ZINC000673485473 1081169797 /nfs/dbraw/zinc/16/97/97/1081169797.db2.gz HVDQACUQHACGDH-UHFFFAOYSA-N -1 3 423.183 0.342 20 0 HCADHM C[C@@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502515 1081187690 /nfs/dbraw/zinc/18/76/90/1081187690.db2.gz DNICTXWVGLOFHV-CHWSQXEVSA-N -1 3 412.450 0.512 20 0 HCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cc(N2CCNC(=O)C2)ccn1 ZINC000673502516 1081187532 /nfs/dbraw/zinc/18/75/32/1081187532.db2.gz DNICTXWVGLOFHV-OLZOCXBDSA-N -1 3 412.450 0.512 20 0 HCADHM C[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502533 1081187637 /nfs/dbraw/zinc/18/76/37/1081187637.db2.gz CAZUKJKKRYRTSL-NXEZZACHSA-N -1 3 412.406 0.528 20 0 HCADHM C[C@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502534 1081187665 /nfs/dbraw/zinc/18/76/65/1081187665.db2.gz CAZUKJKKRYRTSL-UWVGGRQHSA-N -1 3 412.406 0.528 20 0 HCADHM C[C@@H](NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502535 1081187835 /nfs/dbraw/zinc/18/78/35/1081187835.db2.gz CAZUKJKKRYRTSL-VHSXEESVSA-N -1 3 412.406 0.528 20 0 HCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C ZINC000673502536 1081187751 /nfs/dbraw/zinc/18/77/51/1081187751.db2.gz CAZUKJKKRYRTSL-ZJUUUORDSA-N -1 3 412.406 0.528 20 0 HCADHM C[C@@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502617 1081188275 /nfs/dbraw/zinc/18/82/75/1081188275.db2.gz DNICTXWVGLOFHV-QWHCGFSZSA-N -1 3 412.450 0.512 20 0 HCADHM C[C@H](NC(=O)c1cc(N2CCNC(=O)C2)ccn1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673502618 1081188400 /nfs/dbraw/zinc/18/84/00/1081188400.db2.gz DNICTXWVGLOFHV-STQMWFEESA-N -1 3 412.450 0.512 20 0 HCADHM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503917 1081188480 /nfs/dbraw/zinc/18/84/80/1081188480.db2.gz MXJZIOZABPGUIJ-CHWSQXEVSA-N -1 3 416.500 0.211 20 0 HCADHM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503921 1081189039 /nfs/dbraw/zinc/18/90/39/1081189039.db2.gz MXJZIOZABPGUIJ-OLZOCXBDSA-N -1 3 416.500 0.211 20 0 HCADHM CC(C)OCCS(=O)(=O)NCC(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503923 1081189018 /nfs/dbraw/zinc/18/90/18/1081189018.db2.gz MXJZIOZABPGUIJ-QWHCGFSZSA-N -1 3 416.500 0.211 20 0 HCADHM CC(C)OCCS(=O)(=O)NCC(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503925 1081189217 /nfs/dbraw/zinc/18/92/17/1081189217.db2.gz MXJZIOZABPGUIJ-STQMWFEESA-N -1 3 416.500 0.211 20 0 HCADHM C[C@@H](NC(=O)CNS(=O)(=O)c1cccs1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503987 1081189099 /nfs/dbraw/zinc/18/90/99/1081189099.db2.gz JAYPDTFACODRGN-GHMZBOCLSA-N -1 3 412.493 0.907 20 0 HCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CNS(=O)(=O)c1cccs1 ZINC000673503988 1081188997 /nfs/dbraw/zinc/18/89/97/1081188997.db2.gz JAYPDTFACODRGN-MNOVXSKESA-N -1 3 412.493 0.907 20 0 HCADHM C[C@H](NC(=O)CNS(=O)(=O)c1cccs1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503989 1081189128 /nfs/dbraw/zinc/18/91/28/1081189128.db2.gz JAYPDTFACODRGN-QWRGUYRKSA-N -1 3 412.493 0.907 20 0 HCADHM C[C@@H](NC(=O)CNS(=O)(=O)c1cccs1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673503990 1081189153 /nfs/dbraw/zinc/18/91/53/1081189153.db2.gz JAYPDTFACODRGN-WDEREUQCSA-N -1 3 412.493 0.907 20 0 HCADHM C[C@H](NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673504845 1081182836 /nfs/dbraw/zinc/18/28/36/1081182836.db2.gz MKACSWTZGCEVNK-ADWYPQAOSA-N -1 3 403.439 0.587 20 0 HCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CN1C(=O)N[C@@](C)(C2CC2)C1=O ZINC000673504846 1081182712 /nfs/dbraw/zinc/18/27/12/1081182712.db2.gz MKACSWTZGCEVNK-FDMGOTLNSA-N -1 3 403.439 0.587 20 0 HCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O ZINC000673504847 1081182593 /nfs/dbraw/zinc/18/25/93/1081182593.db2.gz MKACSWTZGCEVNK-RMDKCXRXSA-N -1 3 403.439 0.587 20 0 HCADHM C[C@H](NC(=O)CN1C(=O)N[C@](C)(C2CC2)C1=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673504848 1081182864 /nfs/dbraw/zinc/18/28/64/1081182864.db2.gz MKACSWTZGCEVNK-ZHYXMNDGSA-N -1 3 403.439 0.587 20 0 HCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)CCCN1C(=O)NC(C)(C)C1=O ZINC000673506243 1081182632 /nfs/dbraw/zinc/18/26/32/1081182632.db2.gz SAEROBBKUBYIJN-NEPJUHHUSA-N -1 3 405.455 0.977 20 0 HCADHM C[C@@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673506245 1081183366 /nfs/dbraw/zinc/18/33/66/1081183366.db2.gz SAEROBBKUBYIJN-NWDGAFQWSA-N -1 3 405.455 0.977 20 0 HCADHM C[C@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673506246 1081183293 /nfs/dbraw/zinc/18/32/93/1081183293.db2.gz SAEROBBKUBYIJN-RYUDHWBXSA-N -1 3 405.455 0.977 20 0 HCADHM C[C@@H](NC(=O)CCCN1C(=O)NC(C)(C)C1=O)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673506247 1081183266 /nfs/dbraw/zinc/18/32/66/1081183266.db2.gz SAEROBBKUBYIJN-VXGBXAGGSA-N -1 3 405.455 0.977 20 0 HCADHM C[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673507780 1081188935 /nfs/dbraw/zinc/18/89/35/1081188935.db2.gz CBIXQQXYQURYHJ-GHMZBOCLSA-N -1 3 410.452 0.823 20 0 HCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1ccc(CNS(C)(=O)=O)o1 ZINC000673507781 1081189076 /nfs/dbraw/zinc/18/90/76/1081189076.db2.gz CBIXQQXYQURYHJ-MNOVXSKESA-N -1 3 410.452 0.823 20 0 HCADHM C[C@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673507782 1081189189 /nfs/dbraw/zinc/18/91/89/1081189189.db2.gz CBIXQQXYQURYHJ-QWRGUYRKSA-N -1 3 410.452 0.823 20 0 HCADHM C[C@@H](NC(=O)c1ccc(CNS(C)(=O)=O)o1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673507783 1081188975 /nfs/dbraw/zinc/18/89/75/1081188975.db2.gz CBIXQQXYQURYHJ-WDEREUQCSA-N -1 3 410.452 0.823 20 0 HCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)c1cccc(CS(N)(=O)=O)c1 ZINC000673508719 1081190760 /nfs/dbraw/zinc/19/07/60/1081190760.db2.gz WQTRXUVNLCWTEN-NEPJUHHUSA-N -1 3 406.464 0.969 20 0 HCADHM C[C@@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508751 1081190731 /nfs/dbraw/zinc/19/07/31/1081190731.db2.gz WQTRXUVNLCWTEN-NWDGAFQWSA-N -1 3 406.464 0.969 20 0 HCADHM C[C@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508752 1081190818 /nfs/dbraw/zinc/19/08/18/1081190818.db2.gz WQTRXUVNLCWTEN-RYUDHWBXSA-N -1 3 406.464 0.969 20 0 HCADHM C[C@@H](NC(=O)c1cccc(CS(N)(=O)=O)c1)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508753 1081190678 /nfs/dbraw/zinc/19/06/78/1081190678.db2.gz WQTRXUVNLCWTEN-VXGBXAGGSA-N -1 3 406.464 0.969 20 0 HCADHM COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508808 1081190713 /nfs/dbraw/zinc/19/07/13/1081190713.db2.gz XDZMUTISZXUGDX-GHMZBOCLSA-N -1 3 422.463 0.836 20 0 HCADHM COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508833 1081190771 /nfs/dbraw/zinc/19/07/71/1081190771.db2.gz XDZMUTISZXUGDX-MNOVXSKESA-N -1 3 422.463 0.836 20 0 HCADHM COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508834 1081190849 /nfs/dbraw/zinc/19/08/49/1081190849.db2.gz XDZMUTISZXUGDX-QWRGUYRKSA-N -1 3 422.463 0.836 20 0 HCADHM COc1ccc(S(N)(=O)=O)cc1C(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673508835 1081190614 /nfs/dbraw/zinc/19/06/14/1081190614.db2.gz XDZMUTISZXUGDX-WDEREUQCSA-N -1 3 422.463 0.836 20 0 HCADHM C[C@H](NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673509195 1081190044 /nfs/dbraw/zinc/19/00/44/1081190044.db2.gz PQDQMAGKZVFCKZ-GMXVVIOVSA-N -1 3 400.501 0.830 20 0 HCADHM C[C@H](NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C)[C@H](C)C(=O)Nc1ncccc1[O-] ZINC000673509196 1081189968 /nfs/dbraw/zinc/18/99/68/1081189968.db2.gz PQDQMAGKZVFCKZ-GVXVVHGQSA-N -1 3 400.501 0.830 20 0 HCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@H](NS(C)(=O)=O)C(C)(C)C ZINC000673509197 1081189746 /nfs/dbraw/zinc/18/97/46/1081189746.db2.gz PQDQMAGKZVFCKZ-MDZLAQPJSA-N -1 3 400.501 0.830 20 0 HCADHM C[C@@H](C(=O)Nc1ncccc1[O-])[C@H](C)NC(=O)[C@@H](NS(C)(=O)=O)C(C)(C)C ZINC000673509198 1081189986 /nfs/dbraw/zinc/18/99/86/1081189986.db2.gz PQDQMAGKZVFCKZ-NTZNESFSSA-N -1 3 400.501 0.830 20 0 HCADHM CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c(C)o1 ZINC000673509695 1081194642 /nfs/dbraw/zinc/19/46/42/1081194642.db2.gz YPFURLXKPARRNF-NXEZZACHSA-N -1 3 410.452 0.990 20 0 HCADHM CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c(C)o1 ZINC000673509696 1081194539 /nfs/dbraw/zinc/19/45/39/1081194539.db2.gz YPFURLXKPARRNF-UWVGGRQHSA-N -1 3 410.452 0.990 20 0 HCADHM CNS(=O)(=O)c1cc(C(=O)N[C@H](C)[C@H](C)C(=O)Nc2ncccc2[O-])c(C)o1 ZINC000673509697 1081194470 /nfs/dbraw/zinc/19/44/70/1081194470.db2.gz YPFURLXKPARRNF-VHSXEESVSA-N -1 3 410.452 0.990 20 0 HCADHM CNS(=O)(=O)c1cc(C(=O)N[C@@H](C)[C@@H](C)C(=O)Nc2ncccc2[O-])c(C)o1 ZINC000673509698 1081194658 /nfs/dbraw/zinc/19/46/58/1081194658.db2.gz YPFURLXKPARRNF-ZJUUUORDSA-N -1 3 410.452 0.990 20 0 HCADHM CC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)c1[O-] ZINC000673526391 1081209119 /nfs/dbraw/zinc/20/91/19/1081209119.db2.gz FDSHNSDYSXEBKH-UHFFFAOYSA-N -1 3 417.443 0.968 20 0 HCADHM CCc1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)cc1S(=O)(=O)N1CCOCC1 ZINC000673543459 1081242994 /nfs/dbraw/zinc/24/29/94/1081242994.db2.gz HPKBFGGUFGOVOD-UHFFFAOYSA-N -1 3 422.507 0.656 20 0 HCADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000673543718 1081251382 /nfs/dbraw/zinc/25/13/82/1081251382.db2.gz CUUUIPGCCHLQRC-UHFFFAOYSA-N -1 3 400.482 0.155 20 0 HCADHM O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCCCc1cc(=O)[nH][n-]1 ZINC000673543773 1081250907 /nfs/dbraw/zinc/25/09/07/1081250907.db2.gz BBUUXPBTONKIPK-UHFFFAOYSA-N -1 3 424.479 0.289 20 0 HCADHM O=C(CNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCCc1cc(=O)[nH][n-]1 ZINC000673543781 1081250714 /nfs/dbraw/zinc/25/07/14/1081250714.db2.gz BRBBQNRRPCDJFO-UHFFFAOYSA-N -1 3 406.386 0.756 20 0 HCADHM Cc1ccc(C(=O)NCCCc2cc(=O)[nH][n-]2)cc1S(=O)(=O)N1CCOCC1 ZINC000673543957 1081250295 /nfs/dbraw/zinc/25/02/95/1081250295.db2.gz OCAGZZUBUQBCQG-UHFFFAOYSA-N -1 3 408.480 0.402 20 0 HCADHM O=C(NCCCc1cc(=O)[nH][n-]1)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000673544448 1081252143 /nfs/dbraw/zinc/25/21/43/1081252143.db2.gz FABJFMSQZOMSQB-UHFFFAOYSA-N -1 3 416.550 0.872 20 0 HCADHM COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3cc(=O)[nH][n-]3)CC2)cc1 ZINC000673544477 1081252836 /nfs/dbraw/zinc/25/28/36/1081252836.db2.gz GKDRMVRNINABBX-UHFFFAOYSA-N -1 3 422.507 0.868 20 0 HCADHM Cn1cnnc1SCC(=O)Nc1cccc(C(=O)NCCCc2cc(=O)[nH][n-]2)c1 ZINC000673544810 1081251815 /nfs/dbraw/zinc/25/18/15/1081251815.db2.gz PKTNMVJRYXNIRZ-UHFFFAOYSA-N -1 3 415.479 0.932 20 0 HCADHM Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NCCCc3cc(=O)[nH][n-]3)CC2)cc1 ZINC000673544817 1081251861 /nfs/dbraw/zinc/25/18/61/1081251861.db2.gz IKJYIGHUESATOF-UHFFFAOYSA-N -1 3 421.523 0.074 20 0 HCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673545177 1081251418 /nfs/dbraw/zinc/25/14/18/1081251418.db2.gz PHQHGQLDPVRQHX-INIZCTEOSA-N -1 3 412.450 0.309 20 0 HCADHM O=C(NCCCc1cc(=O)[nH][n-]1)[C@H]1CN(Cc2nc3ccccc3c(=O)[nH]2)CCO1 ZINC000673545178 1081251133 /nfs/dbraw/zinc/25/11/33/1081251133.db2.gz PHQHGQLDPVRQHX-MRXNPFEDSA-N -1 3 412.450 0.309 20 0 HCADHM COc1ccc(S(=O)(=O)NCCC(=O)NCCCc2cc(=O)[nH][n-]2)cc1OC ZINC000673545579 1081257882 /nfs/dbraw/zinc/25/78/82/1081257882.db2.gz AMKMIXPQZKTZBE-UHFFFAOYSA-N -1 3 412.468 0.145 20 0 HCADHM COc1ccc(CCN2C[C@@H](C(=O)NCCCc3cc(=O)[nH][n-]3)CC2=O)cc1OC ZINC000673545737 1081257507 /nfs/dbraw/zinc/25/75/07/1081257507.db2.gz CRYAVUADOOVHCI-HNNXBMFYSA-N -1 3 416.478 0.867 20 0 HCADHM COc1ccc(CCN2C[C@H](C(=O)NCCCc3cc(=O)[nH][n-]3)CC2=O)cc1OC ZINC000673545742 1081257998 /nfs/dbraw/zinc/25/79/98/1081257998.db2.gz CRYAVUADOOVHCI-OAHLLOKOSA-N -1 3 416.478 0.867 20 0 HCADHM CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCCCc2cc(=O)[nH][n-]2)c1 ZINC000673545833 1081256739 /nfs/dbraw/zinc/25/67/39/1081256739.db2.gz GEFISDHWYINPPE-UHFFFAOYSA-N -1 3 421.523 0.923 20 0 HCADHM O=C(CN1C(=O)COc2cc(Br)ccc21)NCCCc1cc(=O)[nH][n-]1 ZINC000673546051 1081256663 /nfs/dbraw/zinc/25/66/63/1081256663.db2.gz SYJZWXNMTRGJBI-UHFFFAOYSA-N -1 3 409.240 0.947 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)NCCCc2cc(=O)[nH][n-]2)CC1 ZINC000673546219 1081255816 /nfs/dbraw/zinc/25/58/16/1081255816.db2.gz USNZWMCRYQYUML-UHFFFAOYSA-N -1 3 411.484 0.464 20 0 HCADHM C[C@H]([N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F ZINC000673576202 1081313542 /nfs/dbraw/zinc/31/35/42/1081313542.db2.gz QVSQHKYHVIHYEJ-JTQLQIEISA-N -1 3 402.416 0.937 20 0 HCADHM C[C@@H]([N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1)C(F)(F)F ZINC000673576203 1081313621 /nfs/dbraw/zinc/31/36/21/1081313621.db2.gz QVSQHKYHVIHYEJ-SNVBAGLBSA-N -1 3 402.416 0.937 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](CC(N)=O)C2)c(OC)c1 ZINC000673577938 1081314830 /nfs/dbraw/zinc/31/48/30/1081314830.db2.gz QXSVULCPNGOVPG-LLVKDONJSA-N -1 3 405.498 0.343 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](CC(N)=O)C2)c(OC)c1 ZINC000673577939 1081314909 /nfs/dbraw/zinc/31/49/09/1081314909.db2.gz QXSVULCPNGOVPG-NSHDSACASA-N -1 3 405.498 0.343 20 0 HCADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](CC(N)=O)C2)cc1F ZINC000673578227 1081314820 /nfs/dbraw/zinc/31/48/20/1081314820.db2.gz APUKNAZRIANDAX-LLVKDONJSA-N -1 3 407.489 0.863 20 0 HCADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](CC(N)=O)C2)cc1F ZINC000673578228 1081314870 /nfs/dbraw/zinc/31/48/70/1081314870.db2.gz APUKNAZRIANDAX-NSHDSACASA-N -1 3 407.489 0.863 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N(C)CC(=O)N2CCCC2)CCCC1 ZINC000673632655 1081377893 /nfs/dbraw/zinc/37/78/93/1081377893.db2.gz TZBCJXDRYPDOBW-UHFFFAOYSA-N -1 3 412.512 0.963 20 0 HCADHM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCNC(=O)C4)cc3)cc2n(C)c1=O ZINC000731782606 1077853107 /nfs/dbraw/zinc/85/31/07/1077853107.db2.gz IIEIXVPQZDRCDU-UHFFFAOYSA-N -1 3 415.475 0.614 20 0 HCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000750980663 1079473548 /nfs/dbraw/zinc/47/35/48/1079473548.db2.gz VEHMJPUWSKIBCH-MRVPVSSYSA-N -1 3 402.454 0.192 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)c(OC)c1 ZINC000761247813 1073398979 /nfs/dbraw/zinc/39/89/79/1073398979.db2.gz BBXJFSGLVLWZIM-UHFFFAOYSA-N -1 3 420.509 0.984 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCN(C(=O)OC)CC2)c(OC)c1 ZINC000761252931 1073411784 /nfs/dbraw/zinc/41/17/84/1073411784.db2.gz IPISZPNDYUMKGB-UHFFFAOYSA-N -1 3 421.497 0.530 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCNc2ncccn2)c(OC)c1 ZINC000761261035 1073415701 /nfs/dbraw/zinc/41/57/01/1073415701.db2.gz KHAPKZPQGFMRDK-UHFFFAOYSA-N -1 3 415.497 0.637 20 0 HCADHM CCN(CC)C(=O)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC000761262016 1073416325 /nfs/dbraw/zinc/41/63/25/1073416325.db2.gz VAOKXNSLVLELKY-UHFFFAOYSA-N -1 3 407.514 0.604 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C(N)=O)CCCC2)c(OC)c1 ZINC000761273048 1073445171 /nfs/dbraw/zinc/44/51/71/1073445171.db2.gz MEGUXYOSHBUTRF-UHFFFAOYSA-N -1 3 405.498 0.533 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC3(C2)OCCO3)c(OC)c1 ZINC000761274713 1073450716 /nfs/dbraw/zinc/45/07/16/1073450716.db2.gz WIPCSUMSFGJLIK-UHFFFAOYSA-N -1 3 406.482 0.594 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N(C)CCS(C)(=O)=O)c(OC)c1 ZINC000761281126 1073475945 /nfs/dbraw/zinc/47/59/45/1073475945.db2.gz HQQSWSOHPSYKPK-UHFFFAOYSA-N -1 3 414.527 0.122 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NC2(C(=O)NC)CCCC2)c(OC)c1 ZINC000761281187 1073476037 /nfs/dbraw/zinc/47/60/37/1073476037.db2.gz JWKMVXKJWPZYJA-UHFFFAOYSA-N -1 3 419.525 0.794 20 0 HCADHM 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CS(=O)(=O)c1ccc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)cn1 ZINC001127318638 1077748266 /nfs/dbraw/zinc/74/82/66/1077748266.db2.gz BXWSDXLRIHDDIM-UHFFFAOYSA-N -1 3 423.925 0.908 20 0 HCADHM COC(=O)c1cccc2[n-]c(NC(=O)c3cc4n(n3)CCN(C)S4(=O)=O)nc21 ZINC001127331842 1077805680 /nfs/dbraw/zinc/80/56/80/1077805680.db2.gz VILFUKSLYAWHQC-UHFFFAOYSA-N -1 3 404.408 0.432 20 0 HCADHM CC(C)(C)n1nnc(CC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)s2)n1 ZINC001127399925 1078035739 /nfs/dbraw/zinc/03/57/39/1078035739.db2.gz IGUSPSKUGIFVTK-UHFFFAOYSA-N -1 3 406.921 0.780 20 0 HCADHM O=C(Cn1nc2n(c1=O)CCCC2)NCC[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC001127401217 1078039384 /nfs/dbraw/zinc/03/93/84/1078039384.db2.gz VKZGAUPEDUUVQF-UHFFFAOYSA-N -1 3 419.916 0.191 20 0 HCADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001128099986 1080250279 /nfs/dbraw/zinc/25/02/79/1080250279.db2.gz NTMBLUCEVQSJFH-LLVKDONJSA-N -1 3 400.391 0.970 20 0 HCADHM COC(=O)c1c[n-]c(C(=O)OC)c1NC(=O)[C@H]1CC(=O)N(Cc2ccccn2)C1 ZINC001128099987 1080250113 /nfs/dbraw/zinc/25/01/13/1080250113.db2.gz NTMBLUCEVQSJFH-NSHDSACASA-N -1 3 400.391 0.970 20 0 HCADHM COC(=O)[C@@H]1O[C@@H](C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)C[C@H]1C ZINC001128279754 1080698086 /nfs/dbraw/zinc/69/80/86/1080698086.db2.gz RCLPAXVCXWUAGB-GAJTVXKRSA-N -1 3 422.862 0.840 20 0 HCADHM Cc1nn(-c2cccnc2)nc1C(=O)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001128283557 1080704648 /nfs/dbraw/zinc/70/46/48/1080704648.db2.gz CDVUMWFTBYNPGX-UHFFFAOYSA-N -1 3 422.417 0.957 20 0 HCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cn(C[C@H]2CCOC2)nn1 ZINC001128283639 1080704733 /nfs/dbraw/zinc/70/47/33/1080704733.db2.gz FNSLGBBTTHBFDJ-LLVKDONJSA-N -1 3 415.422 0.301 20 0 HCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)c1cn(C[C@@H]2CCOC2)nn1 ZINC001128283640 1080704677 /nfs/dbraw/zinc/70/46/77/1080704677.db2.gz FNSLGBBTTHBFDJ-NSHDSACASA-N -1 3 415.422 0.301 20 0 HCADHM COC(=O)c1ccn(CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC001128284225 1080705066 /nfs/dbraw/zinc/70/50/66/1080705066.db2.gz LPHBXIORHPYTHB-UHFFFAOYSA-N -1 3 402.379 0.043 20 0 HCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CCCN1C(=O)C1CC1 ZINC001128284770 1080701073 /nfs/dbraw/zinc/70/10/73/1080701073.db2.gz OTWIJTMGAZMRCH-AWEZNQCLSA-N -1 3 401.435 0.760 20 0 HCADHM O=C(COCc1cc[nH]c(=O)c1)NCC[N-]S(=O)(=O)c1ccc(F)cc1F ZINC001128285328 1080703929 /nfs/dbraw/zinc/70/39/29/1080703929.db2.gz USRHHHJNSQZIKT-UHFFFAOYSA-N -1 3 401.391 0.677 20 0 HCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@]1(c2ccccc2)CNC(=O)C1 ZINC001128285716 1080705426 /nfs/dbraw/zinc/70/54/26/1080705426.db2.gz WSHAXYKCNUZDKI-IBGZPJMESA-N -1 3 423.441 0.817 20 0 HCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@]1(c2ccccc2)CNC(=O)C1 ZINC001128285719 1080705677 /nfs/dbraw/zinc/70/56/77/1080705677.db2.gz WSHAXYKCNUZDKI-LJQANCHMSA-N -1 3 423.441 0.817 20 0 HCADHM COC(=O)c1ccc(CC(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cn1 ZINC001128285804 1080705455 /nfs/dbraw/zinc/70/54/55/1080705455.db2.gz ZINCKANAXVEZIJ-UHFFFAOYSA-N -1 3 413.402 0.784 20 0 HCADHM COC(=O)c1nc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cs1 ZINC001128383254 1080861639 /nfs/dbraw/zinc/86/16/39/1080861639.db2.gz GUIOQIULTJBEJB-UHFFFAOYSA-N -1 3 405.404 0.916 20 0 HCADHM NC(=O)c1ccc(CC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)cn1 ZINC001128383895 1080858693 /nfs/dbraw/zinc/85/86/93/1080858693.db2.gz KRHAWBPJJMLLBO-UHFFFAOYSA-N -1 3 414.846 0.610 20 0 HCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)C1(n2cnnn2)CCCCC1 ZINC001128384272 1080858698 /nfs/dbraw/zinc/85/86/98/1080858698.db2.gz OPROLZMWDSCRAA-UHFFFAOYSA-N -1 3 414.438 0.705 20 0 HCADHM CC(=O)c1cn(CC(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)nn1 ZINC001128384381 1080858666 /nfs/dbraw/zinc/85/86/66/1080858666.db2.gz RBNVISAIEVAKBU-UHFFFAOYSA-N -1 3 403.823 0.368 20 0 HCADHM Cn1nnc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)c1C(F)(F)F ZINC001128384580 1080859446 /nfs/dbraw/zinc/85/94/46/1080859446.db2.gz RJNIVGDQELFEOX-UHFFFAOYSA-N -1 3 413.328 0.820 20 0 HCADHM Cc1oc(C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1S(C)(=O)=O ZINC001128384919 1080860007 /nfs/dbraw/zinc/86/00/07/1080860007.db2.gz WXRXNPUAFNXWHT-UHFFFAOYSA-N -1 3 422.431 0.978 20 0 HCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@@H]1CC(c2ccccn2)=NO1 ZINC001128385014 1080859946 /nfs/dbraw/zinc/85/99/46/1080859946.db2.gz YRJFAFUJESRWND-HNNXBMFYSA-N -1 3 410.402 0.948 20 0 HCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)[C@H]1CC(c2ccccn2)=NO1 ZINC001128385016 1080859940 /nfs/dbraw/zinc/85/99/40/1080859940.db2.gz YRJFAFUJESRWND-OAHLLOKOSA-N -1 3 410.402 0.948 20 0 HCADHM O=C(Nc1c(Br)c(=O)[n-]c(=O)n1Cc1ccccc1)[C@@H]1CCC(=O)N1 ZINC001143128363 1080885183 /nfs/dbraw/zinc/88/51/83/1080885183.db2.gz HBFSILGQLYUZFZ-JTQLQIEISA-N -1 3 407.224 0.977 20 0 HCADHM O=C(Nc1c(Br)c(=O)[n-]c(=O)n1Cc1ccccc1)[C@H]1CCC(=O)N1 ZINC001143128364 1080885168 /nfs/dbraw/zinc/88/51/68/1080885168.db2.gz HBFSILGQLYUZFZ-SNVBAGLBSA-N -1 3 407.224 0.977 20 0 HCADHM COCCN1CCN(C)C2(CCN(c3nc(C)cc4c3C(=O)[N-]C4=O)CC2)C1=O ZINC001164639182 719279627 /nfs/dbraw/zinc/27/96/27/719279627.db2.gz JNOABMJRSOIZCS-UHFFFAOYSA-N -1 3 401.467 0.033 20 0 HCADHM CNC(=O)CN1CCCC12CCN(c1ccc(S(=O)(=O)[N-]C(C)=O)cn1)CC2 ZINC001164690020 719746927 /nfs/dbraw/zinc/74/69/27/719746927.db2.gz PGNWKNDFUIBAJP-UHFFFAOYSA-N -1 3 409.512 0.087 20 0 HCADHM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164751965 720788494 /nfs/dbraw/zinc/78/84/94/720788494.db2.gz YIDXPNXQUFBZRA-CABCVRRESA-N -1 3 418.479 0.038 20 0 HCADHM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164751973 720789512 /nfs/dbraw/zinc/78/95/12/720789512.db2.gz YIDXPNXQUFBZRA-GJZGRUSLSA-N -1 3 418.479 0.038 20 0 HCADHM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164751975 720787932 /nfs/dbraw/zinc/78/79/32/720787932.db2.gz YIDXPNXQUFBZRA-HUUCEWRRSA-N -1 3 418.479 0.038 20 0 HCADHM CC(=O)[N-]S(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164751976 720788584 /nfs/dbraw/zinc/78/85/84/720788584.db2.gz YIDXPNXQUFBZRA-LSDHHAIUSA-N -1 3 418.479 0.038 20 0 HCADHM CC(=O)[N-]S(=O)(=O)c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc1 ZINC001164768331 721223165 /nfs/dbraw/zinc/22/31/65/721223165.db2.gz KUTGOARMJMOHCE-DLBZAZTESA-N -1 3 418.523 0.598 20 0 HCADHM CC(=O)[N-]S(=O)(=O)c1ccc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc1 ZINC001164768351 721222063 /nfs/dbraw/zinc/22/20/63/721222063.db2.gz KUTGOARMJMOHCE-IAGOWNOFSA-N -1 3 418.523 0.598 20 0 HCADHM CC(=O)[N-]S(=O)(=O)c1ccc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164768354 721223696 /nfs/dbraw/zinc/22/36/96/721223696.db2.gz KUTGOARMJMOHCE-IRXDYDNUSA-N -1 3 418.523 0.598 20 0 HCADHM CC(=O)[N-]S(=O)(=O)c1ccc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc1 ZINC001164768357 721223487 /nfs/dbraw/zinc/22/34/87/721223487.db2.gz KUTGOARMJMOHCE-SJORKVTESA-N -1 3 418.523 0.598 20 0 HCADHM Cc1cc2c(c(N3CCC4(CC3)COCCN(CC(=O)N(C)C)C4)n1)C(=O)[N-]C2=O ZINC001164872432 721283408 /nfs/dbraw/zinc/28/34/08/721283408.db2.gz CPOXFOKGNKEEFS-UHFFFAOYSA-N -1 3 415.494 0.281 20 0 HCADHM Cc1cc2c(c(N3CCO[C@]4(C3)COCCN(Cc3cccnc3)C4)n1)C(=O)[N-]C2=O ZINC001164913182 721793286 /nfs/dbraw/zinc/79/32/86/721793286.db2.gz AMXBIGMXPXJKME-JOCHJYFZSA-N -1 3 423.473 0.776 20 0 HCADHM Cc1cc2c(c(N3CCO[C@@]4(C3)COCCN(Cc3cccnc3)C4)n1)C(=O)[N-]C2=O ZINC001164913183 721792918 /nfs/dbraw/zinc/79/29/18/721792918.db2.gz AMXBIGMXPXJKME-QFIPXVFZSA-N -1 3 423.473 0.776 20 0 HCADHM Cc1cc2c(c(N3CCc4ncnc(N5CCN(C)CC5)c4CC3)n1)C(=O)[N-]C2=O ZINC001165001200 722237258 /nfs/dbraw/zinc/23/72/58/722237258.db2.gz DEHNBLDFJKSXJJ-UHFFFAOYSA-N -1 3 407.478 0.421 20 0 HCADHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c(C)o1 ZINC001168554706 1079587928 /nfs/dbraw/zinc/58/79/28/1079587928.db2.gz HBLUOQMICBKAGT-NEPJUHHUSA-N -1 3 403.457 0.206 20 0 HCADHM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@H]1C(=O)[N-]OCCN1CCCC1=O ZINC001168626913 1080115560 /nfs/dbraw/zinc/11/55/60/1080115560.db2.gz IKDCEVSHRDKEEN-UVLXDEKHSA-N -1 3 417.384 0.642 20 0 HCADHM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@@H]1C(=O)[N-]OCCN1CCCC1=O ZINC001168626914 1080116875 /nfs/dbraw/zinc/11/68/75/1080116875.db2.gz IKDCEVSHRDKEEN-WVWOOGAGSA-N -1 3 417.384 0.642 20 0 HCADHM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@@H]2[C@H]1C(=O)[N-]OCCN1CCCC1=O ZINC001168626915 1080116716 /nfs/dbraw/zinc/11/67/16/1080116716.db2.gz IKDCEVSHRDKEEN-XWUBHJNHSA-N -1 3 417.384 0.642 20 0 HCADHM C[C@@H]1C=C[C@@H]2C(=O)N(CC(F)(F)F)C(=O)[C@H]2[C@@H]1C(=O)[N-]OCCN1CCCC1=O ZINC001168626916 1080116609 /nfs/dbraw/zinc/11/66/09/1080116609.db2.gz IKDCEVSHRDKEEN-ZMJPVWNMSA-N -1 3 417.384 0.642 20 0 HCADHM Cc1nn2cccnc2c1S(=O)(=O)[N-]C1(CCO)CN(C(=O)OC(C)(C)C)C1 ZINC001212202641 1077843238 /nfs/dbraw/zinc/84/32/38/1077843238.db2.gz UVVNKMPFJPQFBE-UHFFFAOYSA-N -1 3 411.484 0.688 20 0 HCADHM CON1CCC([N-]S(=O)(=O)c2cc(C(N)=O)c(F)cc2Br)CC1 ZINC001212205807 1077902663 /nfs/dbraw/zinc/90/26/63/1077902663.db2.gz XNOLRWJQUUDITK-UHFFFAOYSA-N -1 3 410.265 0.991 20 0 HCADHM CS(C)(=O)=NC(=O)C[N-]S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC001212216996 1078171866 /nfs/dbraw/zinc/17/18/66/1078171866.db2.gz KAIWOPVOLFELRB-UHFFFAOYSA-N -1 3 415.493 0.236 20 0 HCADHM Cc1nn2cc(Br)cnc2c1S(=O)(=O)[N-]CC1(CC(N)=O)CC1 ZINC001212226530 1078237060 /nfs/dbraw/zinc/23/70/60/1078237060.db2.gz KGPDGCULNYGHIX-UHFFFAOYSA-N -1 3 402.274 0.734 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](NC(C)=O)C2)c(OC)c1 ZINC001212235379 1078528446 /nfs/dbraw/zinc/52/84/46/1078528446.db2.gz DAKMZGYQBFUYDK-CYBMUJFWSA-N -1 3 405.498 0.356 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](NC(C)=O)C2)c(OC)c1 ZINC001212235380 1078528465 /nfs/dbraw/zinc/52/84/65/1078528465.db2.gz DAKMZGYQBFUYDK-ZDUSSCGKSA-N -1 3 405.498 0.356 20 0 HCADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](NC(C)=O)C2)cc1F ZINC001212236097 1078577307 /nfs/dbraw/zinc/57/73/07/1078577307.db2.gz NIHVARDBBGFCPG-GFCCVEGCSA-N -1 3 407.489 0.877 20 0 HCADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](NC(C)=O)C2)cc1F ZINC001212236102 1078578135 /nfs/dbraw/zinc/57/81/35/1078578135.db2.gz NIHVARDBBGFCPG-LBPRGKRZSA-N -1 3 407.489 0.877 20 0 HCADHM CCn1nc(C)c(C[N-]S(=O)(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)n1 ZINC001212262078 1078517707 /nfs/dbraw/zinc/51/77/07/1078517707.db2.gz ZKWIRIIRPPJSIU-UHFFFAOYSA-N -1 3 413.525 0.869 20 0 HCADHM CCOC(=O)C1(S(=O)(=O)[N-]C[C@@H]2CS(=O)(=O)c3ccccc3O2)CCC1 ZINC001212267040 1078643524 /nfs/dbraw/zinc/64/35/24/1078643524.db2.gz OEXHNWLFHFYAOX-GFCCVEGCSA-N -1 3 403.478 0.627 20 0 HCADHM CCOC(=O)C1(S(=O)(=O)[N-]C[C@H]2CS(=O)(=O)c3ccccc3O2)CCC1 ZINC001212267041 1078643620 /nfs/dbraw/zinc/64/36/20/1078643620.db2.gz OEXHNWLFHFYAOX-LBPRGKRZSA-N -1 3 403.478 0.627 20 0 HCADHM COC(=O)[C@H]([N-]S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccnn1C ZINC001212289420 1078802506 /nfs/dbraw/zinc/80/25/06/1078802506.db2.gz ZLCQSXYVWGRBAF-CYBMUJFWSA-N -1 3 417.488 0.021 20 0 HCADHM COC(=O)[C@@H]([N-]S(=O)(=O)N1CCN(C(=O)OC(C)(C)C)CC1)c1ccnn1C ZINC001212289422 1078802487 /nfs/dbraw/zinc/80/24/87/1078802487.db2.gz ZLCQSXYVWGRBAF-ZDUSSCGKSA-N -1 3 417.488 0.021 20 0 HCADHM CCn1nnc(C)c1CNS(=O)(=O)c1ccc([N-]S(=O)(=O)CC)cc1OC ZINC001212308575 1078815983 /nfs/dbraw/zinc/81/59/83/1078815983.db2.gz AWRBVNYMCVTQTE-UHFFFAOYSA-N -1 3 417.513 0.855 20 0 HCADHM NC(=O)[C@@]1([N-]S(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CCOC1 ZINC001212320248 1078822994 /nfs/dbraw/zinc/82/29/94/1078822994.db2.gz ZBUXZUFDOHCETO-CRAIPNDOSA-N -1 3 411.480 0.209 20 0 HCADHM NC(=O)[C@@]1([N-]S(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)CCOC1 ZINC001212320249 1078822954 /nfs/dbraw/zinc/82/29/54/1078822954.db2.gz ZBUXZUFDOHCETO-MAUKXSAKSA-N -1 3 411.480 0.209 20 0 HCADHM NC(=O)[C@]1([N-]S(=O)(=O)C[C@@H]2CCN(C(=O)OCc3ccccc3)C2)CCOC1 ZINC001212320250 1078822946 /nfs/dbraw/zinc/82/29/46/1078822946.db2.gz ZBUXZUFDOHCETO-QAPCUYQASA-N -1 3 411.480 0.209 20 0 HCADHM NC(=O)[C@]1([N-]S(=O)(=O)C[C@H]2CCN(C(=O)OCc3ccccc3)C2)CCOC1 ZINC001212320251 1078823002 /nfs/dbraw/zinc/82/30/02/1078823002.db2.gz ZBUXZUFDOHCETO-YJBOKZPZSA-N -1 3 411.480 0.209 20 0 HCADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@@H](CO)CCF)c(Br)c1 ZINC001212359473 1079819364 /nfs/dbraw/zinc/81/93/64/1079819364.db2.gz BUSONZNKGONQFW-MRVPVSSYSA-N -1 3 404.279 0.851 20 0 HCADHM CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)CCF)c(Br)c1 ZINC001212359474 1079819351 /nfs/dbraw/zinc/81/93/51/1079819351.db2.gz BUSONZNKGONQFW-QMMMGPOBSA-N -1 3 404.279 0.851 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@@]2(O)CCCOC2)c(OC)c1 ZINC001212360022 1079823639 /nfs/dbraw/zinc/82/36/39/1079823639.db2.gz QHDDYIJJWVENTG-INIZCTEOSA-N -1 3 422.525 0.667 20 0 HCADHM CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCC[C@]2(O)CCCOC2)c(OC)c1 ZINC001212360023 1079823385 /nfs/dbraw/zinc/82/33/85/1079823385.db2.gz QHDDYIJJWVENTG-MRXNPFEDSA-N -1 3 422.525 0.667 20 0 HCADHM Cn1ncc(S(=O)(=O)[N-]Cc2ccc(-c3nncnn3)cc2)c1Br ZINC001212360061 1079823499 /nfs/dbraw/zinc/82/34/99/1079823499.db2.gz RMDFQFJNHMCADG-UHFFFAOYSA-N -1 3 410.257 0.908 20 0 HCADHM COC(=O)c1sc(S(=O)(=O)[N-][C@@H]2CCN(S(C)(=O)=O)C2)c(C)c1Cl ZINC001212367048 1079879196 /nfs/dbraw/zinc/87/91/96/1079879196.db2.gz BMEZXAUZNVZWSA-MRVPVSSYSA-N -1 3 416.930 0.809 20 0 HCADHM COC(=O)c1sc(S(=O)(=O)[N-][C@H]2CCN(S(C)(=O)=O)C2)c(C)c1Cl ZINC001212367049 1079879111 /nfs/dbraw/zinc/87/91/11/1079879111.db2.gz BMEZXAUZNVZWSA-QMMMGPOBSA-N -1 3 416.930 0.809 20 0 HCADHM COC(=O)[C@H](CCF)[N-]S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC001212371837 1079894213 /nfs/dbraw/zinc/89/42/13/1079894213.db2.gz MCMDPMIERNMFIP-AWEZNQCLSA-N -1 3 400.428 0.883 20 0 HCADHM COC(=O)[C@@H](CCF)[N-]S(=O)(=O)CCCCN1C(=O)c2ccccc2C1=O ZINC001212371838 1079894297 /nfs/dbraw/zinc/89/42/97/1079894297.db2.gz MCMDPMIERNMFIP-CQSZACIVSA-N -1 3 400.428 0.883 20 0 HCADHM CCON(C)C(=O)C[N-]S(=O)(=O)c1c(C)nn2cc(Br)cnc12 ZINC001212384652 1080029047 /nfs/dbraw/zinc/02/90/47/1080029047.db2.gz WKWVEYSBTWTZSD-UHFFFAOYSA-N -1 3 406.262 0.488 20 0 HCADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2COC)cc1F ZINC001212391857 1080051312 /nfs/dbraw/zinc/05/13/12/1080051312.db2.gz AXNSIJWZUFLKNN-VXGBXAGGSA-N -1 3 410.489 0.748 20 0 HCADHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCN2CCCC2=O)cc1F ZINC001212405210 1080084908 /nfs/dbraw/zinc/08/49/08/1080084908.db2.gz YGBSOBIVHADQML-UHFFFAOYSA-N -1 3 407.489 0.878 20 0 HCADHM COCc1nc(C[N-]S(=O)(=O)c2cc(Br)ccc2C(=O)OC)n[nH]1 ZINC001212415366 1080112184 /nfs/dbraw/zinc/11/21/84/1080112184.db2.gz BZGRAJOKVRRANQ-UHFFFAOYSA-N -1 3 419.257 0.979 20 0 HCADHM COCc1nc(C[N-]S(=O)(=O)c2cc(C(=O)OC)ccc2Br)n[nH]1 ZINC001212415468 1080112856 /nfs/dbraw/zinc/11/28/56/1080112856.db2.gz FHVBYYNOMUMBQI-UHFFFAOYSA-N -1 3 419.257 0.979 20 0 HCADHM COCc1nc(C[N-]S(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2OC)n[nH]1 ZINC001212415850 1080113562 /nfs/dbraw/zinc/11/35/62/1080113562.db2.gz QCFKEWBDYJAEJU-UHFFFAOYSA-N -1 3 404.832 0.878 20 0 HCADHM C[C@@H]1CC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CS1(=O)=O ZINC001212415863 1080114142 /nfs/dbraw/zinc/11/41/42/1080114142.db2.gz QGOLCQKHXSFHGK-NXEZZACHSA-N -1 3 414.502 0.441 20 0 HCADHM C[C@H]1CC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CS1(=O)=O ZINC001212415864 1080114166 /nfs/dbraw/zinc/11/41/66/1080114166.db2.gz QGOLCQKHXSFHGK-UWVGGRQHSA-N -1 3 414.502 0.441 20 0 HCADHM C[C@H]1CC[C@@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CS1(=O)=O ZINC001212415865 1080114216 /nfs/dbraw/zinc/11/42/16/1080114216.db2.gz QGOLCQKHXSFHGK-VHSXEESVSA-N -1 3 414.502 0.441 20 0 HCADHM C[C@@H]1CC[C@H](NS(=O)(=O)c2ccc([N-]S(C)(=O)=O)c(F)c2)CS1(=O)=O ZINC001212415866 1080114415 /nfs/dbraw/zinc/11/44/15/1080114415.db2.gz QGOLCQKHXSFHGK-ZJUUUORDSA-N -1 3 414.502 0.441 20 0 HCADHM COCc1nc(C[N-]S(=O)(=O)c2cc3c(cc2Br)OCCO3)n[nH]1 ZINC001212415971 1080114295 /nfs/dbraw/zinc/11/42/95/1080114295.db2.gz UCHMSLZFXQNJJH-UHFFFAOYSA-N -1 3 419.257 0.963 20 0 HCADHM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]CCS(=O)(=O)CC(F)(F)F ZINC001212423592 1080188450 /nfs/dbraw/zinc/18/84/50/1080188450.db2.gz PBANLFGLJKKCCP-UHFFFAOYSA-N -1 3 407.392 0.150 20 0 HCADHM Cn1cc(S(=O)(=O)[N-]CCS(=O)(=O)CC(F)(F)F)c(Br)n1 ZINC001212424071 1080188289 /nfs/dbraw/zinc/18/82/89/1080188289.db2.gz VVMIUFQEBBYSCY-UHFFFAOYSA-N -1 3 414.225 0.438 20 0 HCADHM COc1cccc(Br)c1CS(=O)(=O)[N-]C1(C(N)=O)CCOCC1 ZINC001212426796 1080242516 /nfs/dbraw/zinc/24/25/16/1080242516.db2.gz ZXLJVJOZELBTEY-UHFFFAOYSA-N -1 3 407.286 0.912 20 0 HCADHM CCn1cc(CNS(=O)(=O)c2ccc([N-]S(=O)(=O)CC)cc2OC)nn1 ZINC001212440228 1080432230 /nfs/dbraw/zinc/43/22/30/1080432230.db2.gz FWMGXHRIVSBQEM-UHFFFAOYSA-N -1 3 403.486 0.547 20 0 HCADHM COC(=O)[C@@H]1OCC[C@@H]1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)sc1Cl ZINC001212440562 1080434829 /nfs/dbraw/zinc/43/48/29/1080434829.db2.gz YVZVSTVZGZKQQE-IMTBSYHQSA-N -1 3 403.887 0.414 20 0 HCADHM CC(C)C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)N1CC[C@@H](N(C)C)C1 ZINC001212453785 1080598197 /nfs/dbraw/zinc/59/81/97/1080598197.db2.gz OHCFPOWGIZALRG-CABCVRRESA-N -1 3 408.590 0.660 20 0 HCADHM CC(C)C[C@H]([N-]S(=O)(=O)N=S1(=O)CCCC1)C(=O)N1CC[C@H](N(C)C)C1 ZINC001212453786 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ZIRSSKFISOWLIW-QWRGUYRKSA-N -1 3 400.892 0.908 20 0 HCADHM C[C@@H]1CN(CCNS(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)[C@@H](C)CO1 ZINC001212463691 1080684409 /nfs/dbraw/zinc/68/44/09/1080684409.db2.gz ZIRSSKFISOWLIW-WDEREUQCSA-N -1 3 400.892 0.908 20 0 HCADHM C[C@@H]1CN(CCNS(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)[C@@H](C)CO1 ZINC001212463691 1080684394 /nfs/dbraw/zinc/68/43/94/1080684394.db2.gz ZIRSSKFISOWLIW-WDEREUQCSA-N -1 3 400.892 0.908 20 0 HCADHM CO[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1I)[C@@H]1CCOC1 ZINC001212465156 1080695006 /nfs/dbraw/zinc/69/50/06/1080695006.db2.gz RNCCJBSEFIETFY-BDAKNGLRSA-N -1 3 415.253 0.355 20 0 HCADHM CO[C@H](C[N-]S(=O)(=O)c1cnn(C)c1I)[C@H]1CCOC1 ZINC001212465157 1080694728 /nfs/dbraw/zinc/69/47/28/1080694728.db2.gz RNCCJBSEFIETFY-DTWKUNHWSA-N -1 3 415.253 0.355 20 0 HCADHM CO[C@@H](C[N-]S(=O)(=O)c1cnn(C)c1I)[C@H]1CCOC1 ZINC001212465158 1080695018 /nfs/dbraw/zinc/69/50/18/1080695018.db2.gz RNCCJBSEFIETFY-IUCAKERBSA-N -1 3 415.253 0.355 20 0 HCADHM CO[C@H](C[N-]S(=O)(=O)c1cnn(C)c1I)[C@@H]1CCOC1 ZINC001212465159 1080694932 /nfs/dbraw/zinc/69/49/32/1080694932.db2.gz RNCCJBSEFIETFY-RKDXNWHRSA-N -1 3 415.253 0.355 20 0 HCADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@H](Cn3ccnn3)C2)cc1F ZINC001212470924 1080758229 /nfs/dbraw/zinc/75/82/29/1080758229.db2.gz RMKFDSGMAXRZLF-LLVKDONJSA-N -1 3 403.461 0.500 20 0 HCADHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CC[C@@H](Cn3ccnn3)C2)cc1F ZINC001212470925 1080758429 /nfs/dbraw/zinc/75/84/29/1080758429.db2.gz RMKFDSGMAXRZLF-NSHDSACASA-N -1 3 403.461 0.500 20 0 HCADHM O=S(=O)([N-]CC(F)(F)F)c1ccc(S(=O)(=O)N[C@H](CO)C2CCC2)cc1 ZINC001212475614 1080775405 /nfs/dbraw/zinc/77/54/05/1080775405.db2.gz MMJZJBVPCYLJBE-CYBMUJFWSA-N -1 3 416.443 0.967 20 0 HCADHM O=S(=O)([N-]CC(F)(F)F)c1ccc(S(=O)(=O)N[C@@H](CO)C2CCC2)cc1 ZINC001212475616 1080775388 /nfs/dbraw/zinc/77/53/88/1080775388.db2.gz MMJZJBVPCYLJBE-ZDUSSCGKSA-N -1 3 416.443 0.967 20 0 HCADHM Cn1ncc(S(=O)(=O)[N-]CCC2(CS(C)(=O)=O)CC2)c1Br ZINC001212480386 1080795886 /nfs/dbraw/zinc/79/58/86/1080795886.db2.gz QGLROCGPTPZHKD-UHFFFAOYSA-N -1 3 400.320 0.676 20 0 HCADHM COC[C@]1(C(=O)OC)CCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC001212486160 1080823115 /nfs/dbraw/zinc/82/31/15/1080823115.db2.gz YYOOIJQMMQTKEV-HNNXBMFYSA-N -1 3 424.472 0.540 20 0 HCADHM COC[C@@]1(C(=O)OC)CCCN1S(=O)(=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC001212486164 1080823033 /nfs/dbraw/zinc/82/30/33/1080823033.db2.gz YYOOIJQMMQTKEV-OAHLLOKOSA-N -1 3 424.472 0.540 20 0 HCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CCN1S(C)(=O)=O ZINC001212502543 1080891143 /nfs/dbraw/zinc/89/11/43/1080891143.db2.gz UCZJRODFXUYVEZ-SECBINFHSA-N -1 3 420.904 0.175 20 0 HCADHM C[C@@H]1CN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CCN1S(C)(=O)=O ZINC001212502543 1080891141 /nfs/dbraw/zinc/89/11/41/1080891141.db2.gz UCZJRODFXUYVEZ-SECBINFHSA-N -1 3 420.904 0.175 20 0 HCADHM CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001213131151 1080960826 /nfs/dbraw/zinc/96/08/26/1080960826.db2.gz CHYWTCDNQGQMIM-RUZDIDTESA-N -1 3 414.550 0.469 20 0 HCADHM CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC001213131152 1080961023 /nfs/dbraw/zinc/96/10/23/1080961023.db2.gz CHYWTCDNQGQMIM-VWLOTQADSA-N -1 3 414.550 0.469 20 0 HCADHM CS(=O)(=O)N1CCC(C(=O)N[C@@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CC1 ZINC001263627995 939828672 /nfs/dbraw/zinc/82/86/72/939828672.db2.gz FGNIEYRMTQGULC-FQEVSTJZSA-N -1 3 423.535 0.894 20 0 HCADHM CS(=O)(=O)N1CCC(C(=O)N[C@]2(C(=O)[O-])CCCN(Cc3ccccc3)C2)CC1 ZINC001263627996 939828943 /nfs/dbraw/zinc/82/89/43/939828943.db2.gz FGNIEYRMTQGULC-HXUWFJFHSA-N -1 3 423.535 0.894 20 0 HCADHM COC(=O)C1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C(C)C)c2)CCOCC1 ZINC001272726180 1079112114 /nfs/dbraw/zinc/11/21/14/1079112114.db2.gz RLMVMQYMXOJDQC-UHFFFAOYSA-N -1 3 402.444 0.964 20 0 HCADHM NS(=O)(=O)C1CN(C(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)C1 ZINC001299234418 1079239154 /nfs/dbraw/zinc/23/91/54/1079239154.db2.gz BIUWRAVCLRUDAH-UHFFFAOYSA-N -1 3 413.452 0.739 20 0 HCADHM O=C(NC1(CCO)CN(Cc2cc(=O)[n-]c(C3CC3)n2)C1)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001485411088 1078862328 /nfs/dbraw/zinc/86/23/28/1078862328.db2.gz LTRBXXPBEFFWCK-OCABDXPQSA-N -1 3 400.479 0.536 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@@H](O)Cc1cccc(Cl)c1 ZINC001649014536 1077828060 /nfs/dbraw/zinc/82/80/60/1077828060.db2.gz BEUOFWHEQJQQJF-AWEZNQCLSA-N -1 3 401.872 0.943 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NC[C@H](O)Cc1cccc(Cl)c1 ZINC001649014538 1077828016 /nfs/dbraw/zinc/82/80/16/1077828016.db2.gz BEUOFWHEQJQQJF-CQSZACIVSA-N -1 3 401.872 0.943 20 0 HCADHM COC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C[N-]S(=O)(=O)c1c(C)noc1C ZINC001649035683 1079074543 /nfs/dbraw/zinc/07/45/43/1079074543.db2.gz IPEVJXVAESDJIK-AWEZNQCLSA-N -1 3 413.427 0.609 20 0 HCADHM CCOc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001649115930 1080018279 /nfs/dbraw/zinc/01/82/79/1080018279.db2.gz OCSXKMNZLYCAPM-CYBMUJFWSA-N -1 3 421.479 0.254 20 0 HCADHM CCOc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCN(c3cc(=O)[n-]cn3)C2)cc1 ZINC001649115934 1080018457 /nfs/dbraw/zinc/01/84/57/1080018457.db2.gz OCSXKMNZLYCAPM-ZDUSSCGKSA-N -1 3 421.479 0.254 20 0 HCADHM Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCc1ncc(Br)cn1 ZINC001649116178 1080018435 /nfs/dbraw/zinc/01/84/35/1080018435.db2.gz QXXIQFMDYLWYHQ-UHFFFAOYSA-N -1 3 404.246 0.439 20 0 HCADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001649116230 1080018332 /nfs/dbraw/zinc/01/83/32/1080018332.db2.gz UEKOISIWJQZREN-CYBMUJFWSA-N -1 3 419.482 0.760 20 0 HCADHM Cc1nc[n-]c(=O)c1CCC(=O)N[C@H]1CC(=O)N(C2CN(C(=O)OC(C)(C)C)C2)C1 ZINC001649116231 1080018790 /nfs/dbraw/zinc/01/87/90/1080018790.db2.gz UEKOISIWJQZREN-ZDUSSCGKSA-N -1 3 419.482 0.760 20 0 HCADHM CS(=O)(=O)c1cccc(CS(=O)(=O)[N-]C[C@@H](n2cncn2)C(F)(F)F)c1 ZINC001670881639 1078035322 /nfs/dbraw/zinc/03/53/22/1078035322.db2.gz PWSLYMZWNHCZEU-GFCCVEGCSA-N -1 3 412.415 0.905 20 0 HCADHM CS(=O)(=O)c1cccc(CS(=O)(=O)[N-]C[C@H](n2cncn2)C(F)(F)F)c1 ZINC001670881640 1078035286 /nfs/dbraw/zinc/03/52/86/1078035286.db2.gz PWSLYMZWNHCZEU-LBPRGKRZSA-N -1 3 412.415 0.905 20 0 HCADHM COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001670906328 1079854704 /nfs/dbraw/zinc/85/47/04/1079854704.db2.gz RRYOOKUNCOYCKX-AWEZNQCLSA-N -1 3 423.495 0.564 20 0 HCADHM COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)NCCc1c(C)[n-][nH]c1=O ZINC001670906329 1079854799 /nfs/dbraw/zinc/85/47/99/1079854799.db2.gz RRYOOKUNCOYCKX-CQSZACIVSA-N -1 3 423.495 0.564 20 0 HCADHM O=S(=O)([N-]CC(F)(F)F)c1ccc(S(=O)(=O)N[C@H]2C[C@@H](CO)C2)cc1 ZINC001670906859 1079854788 /nfs/dbraw/zinc/85/47/88/1079854788.db2.gz GPDPPIMQIAJYIA-AOOOYVTPSA-N -1 3 402.416 0.576 20 0 HCADHM COCC1CN(S(=O)(=O)c2ccc(S(=O)(=O)[N-]CC(F)(F)F)cc2)C1 ZINC001670964477 1080040499 /nfs/dbraw/zinc/04/04/99/1080040499.db2.gz CDKWXPVXGWBKAB-UHFFFAOYSA-N -1 3 402.416 0.794 20 0 HCADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@@H](CO)CN1CCOCC1 ZINC001670965118 1080041171 /nfs/dbraw/zinc/04/11/71/1080041171.db2.gz NLTPOYXJNXZWMR-GFCCVEGCSA-N -1 3 414.505 0.659 20 0 HCADHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-][C@H](CO)CN1CCOCC1 ZINC001670965119 1080041398 /nfs/dbraw/zinc/04/13/98/1080041398.db2.gz NLTPOYXJNXZWMR-LBPRGKRZSA-N -1 3 414.505 0.659 20 0 HCADHM Cn1ncc(S(=O)(=O)[N-][C@@H]2CCCN(CCF)C2)c1I ZINC001670968862 1080044818 /nfs/dbraw/zinc/04/48/18/1080044818.db2.gz FIRAAWNMBYMYHF-SECBINFHSA-N -1 3 416.260 0.737 20 0 HCADHM Cn1ncc(S(=O)(=O)[N-][C@H]2CCCN(CCF)C2)c1I ZINC001670968863 1080044638 /nfs/dbraw/zinc/04/46/38/1080044638.db2.gz FIRAAWNMBYMYHF-VIFPVBQESA-N -1 3 416.260 0.737 20 0 HCADHM CO[C@H](CS(=O)(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])[C@H]1CCOC1 ZINC001670970208 1080046461 /nfs/dbraw/zinc/04/64/61/1080046461.db2.gz YAFURBKSMXTABM-GUIRCDHDSA-N -1 3 401.485 0.721 20 0 HCADHM CO[C@H](CS(=O)(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])[C@@H]1CCOC1 ZINC001670970209 1080046362 /nfs/dbraw/zinc/04/63/62/1080046362.db2.gz YAFURBKSMXTABM-KYEXWDHISA-N -1 3 401.485 0.721 20 0 HCADHM CO[C@H](CS(=O)(=O)N[C@H](C)[C@@H](C)C(=O)Nc1ncccc1[O-])[C@@H]1CCOC1 ZINC001670970210 1080046938 /nfs/dbraw/zinc/04/69/38/1080046938.db2.gz YAFURBKSMXTABM-RGCMKSIDSA-N -1 3 401.485 0.721 20 0 HCADHM CO[C@H](CS(=O)(=O)N[C@H](C)[C@H](C)C(=O)Nc1ncccc1[O-])[C@H]1CCOC1 ZINC001670970211 1080047072 /nfs/dbraw/zinc/04/70/72/1080047072.db2.gz YAFURBKSMXTABM-SFDCQRBFSA-N -1 3 401.485 0.721 20 0 HCADHM O=S(=O)([N-][C@@H](CO)CN1CCOCC1)c1cnc(Cl)c(Br)c1 ZINC001670970260 1080046923 /nfs/dbraw/zinc/04/69/23/1080046923.db2.gz ZGJZQJIDHYCANF-SECBINFHSA-N -1 3 414.709 0.469 20 0 HCADHM O=S(=O)([N-][C@H](CO)CN1CCOCC1)c1cnc(Cl)c(Br)c1 ZINC001670970261 1080047088 /nfs/dbraw/zinc/04/70/88/1080047088.db2.gz ZGJZQJIDHYCANF-VIFPVBQESA-N -1 3 414.709 0.469 20 0 HCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001671005440 1080070165 /nfs/dbraw/zinc/07/01/65/1080070165.db2.gz GCHZDZAKHQYPMU-JTQLQIEISA-N -1 3 415.493 0.990 20 0 HCADHM COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001671005441 1080070039 /nfs/dbraw/zinc/07/00/39/1080070039.db2.gz GCHZDZAKHQYPMU-SNVBAGLBSA-N -1 3 415.493 0.990 20 0 HCADHM COC(=O)c1ccc(CS(=O)(=O)[N-][C@@H](CCC2OCCO2)C(=O)OC)cc1 ZINC001671024904 1080079486 /nfs/dbraw/zinc/07/94/86/1080079486.db2.gz CAKFCEGXJMLNQX-AWEZNQCLSA-N -1 3 401.437 0.587 20 0 HCADHM COC(=O)c1ccc(CS(=O)(=O)[N-][C@H](CCC2OCCO2)C(=O)OC)cc1 ZINC001671024905 1080079361 /nfs/dbraw/zinc/07/93/61/1080079361.db2.gz CAKFCEGXJMLNQX-CQSZACIVSA-N -1 3 401.437 0.587 20 0 HCADHM CCOC(=O)c1cc(C[N-]S(=O)(=O)c2cc(CNC(C)=O)ccc2OC)on1 ZINC001671025104 1080079595 /nfs/dbraw/zinc/07/95/95/1080079595.db2.gz KEGPCJCHEUCPPI-UHFFFAOYSA-N -1 3 411.436 0.975 20 0 HCADHM COC(=O)c1cccc(CS(=O)(=O)[N-][C@@H](CCC2OCCO2)C(=O)OC)c1 ZINC001671026031 1080080545 /nfs/dbraw/zinc/08/05/45/1080080545.db2.gz YSQOXLCIBKTRCI-AWEZNQCLSA-N -1 3 401.437 0.587 20 0 HCADHM COC(=O)c1cccc(CS(=O)(=O)[N-][C@H](CCC2OCCO2)C(=O)OC)c1 ZINC001671026032 1080080506 /nfs/dbraw/zinc/08/05/06/1080080506.db2.gz YSQOXLCIBKTRCI-CQSZACIVSA-N -1 3 401.437 0.587 20 0 HCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@@H]1CCC2(C1)OCCO2 ZINC001671046044 1080090438 /nfs/dbraw/zinc/09/04/38/1080090438.db2.gz NDMVRILQJAACST-GFCCVEGCSA-N -1 3 405.423 0.838 20 0 HCADHM O=C(NCC[N-]S(=O)(=O)c1ccc(F)cc1F)N[C@H]1CCC2(C1)OCCO2 ZINC001671046045 1080090693 /nfs/dbraw/zinc/09/06/93/1080090693.db2.gz NDMVRILQJAACST-LBPRGKRZSA-N -1 3 405.423 0.838 20 0 HCADHM Cn1nccc1C1(O)CCN(S(=O)(=O)c2ccc(Cl)c(-c3nn[n-]n3)c2)CC1 ZINC001671260191 1079862950 /nfs/dbraw/zinc/86/29/50/1079862950.db2.gz UWFRJBNVSGRCBB-UHFFFAOYSA-N -1 3 423.886 0.926 20 0 HCADHM Cn1nccc1C1(O)CCN(S(=O)(=O)c2ccc(Cl)c(-c3nnn[n-]3)c2)CC1 ZINC001671260191 1079862947 /nfs/dbraw/zinc/86/29/47/1079862947.db2.gz UWFRJBNVSGRCBB-UHFFFAOYSA-N -1 3 423.886 0.926 20 0 HCADHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2O)c(Br)cc1F ZINC001671287265 1080057383 /nfs/dbraw/zinc/05/73/83/1080057383.db2.gz JJUBIARWHJDCEK-GHMZBOCLSA-N -1 3 412.233 0.803 20 0 HCADHM O=C([N-]C[C@@H]1CCCN(C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1)C(F)(F)F ZINC001687447852 1079170044 /nfs/dbraw/zinc/17/00/44/1079170044.db2.gz AJAWQLIFFSIUTI-JTQLQIEISA-N -1 3 417.388 0.884 20 0 HCADHM O=C([N-]C[C@H]1CCCN(C(=O)NCc2cn(C3CC3)c(=O)[nH]c2=O)C1)C(F)(F)F ZINC001687447853 1079169968 /nfs/dbraw/zinc/16/99/68/1079169968.db2.gz AJAWQLIFFSIUTI-SNVBAGLBSA-N -1 3 417.388 0.884 20 0 HCADHM