smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC(CCc2ccccc2)CC1 ZINC001165044575 721940486 /nfs/dbraw/zinc/94/04/86/721940486.db2.gz NTFCGSANWUARFZ-UHFFFAOYSA-N -1 0 395.837 4.222 20 0 GIADRM CCO[C@H](C)c1nc(CN2CCC(Cc3ccccc3C(=O)[O-])CC2)cs1 ZINC000570528681 823050234 /nfs/dbraw/zinc/05/02/34/823050234.db2.gz IHKFWJUKBNYCQD-OAHLLOKOSA-N -1 0 388.533 4.394 20 0 GIADRM O=C(N=c1nc(-c2ccccc2Cl)[n-]s1)c1ccc2c(c1)CCCCC2=O ZINC000570557998 823054262 /nfs/dbraw/zinc/05/42/62/823054262.db2.gz VILCBOKFPFIGSB-UHFFFAOYSA-N -1 0 397.887 4.442 20 0 GIADRM COc1ccccc1[C@@H](NC(=O)c1cc(F)c([O-])c(Cl)c1)c1ccccn1 ZINC000187390079 823054880 /nfs/dbraw/zinc/05/48/80/823054880.db2.gz MSRIAGNCXULHNA-GOSISDBHSA-N -1 0 386.810 4.108 20 0 GIADRM COC(=O)c1nc([N-]S(=O)(=O)c2csc3ccccc32)sc1C(C)C ZINC000570721500 823075795 /nfs/dbraw/zinc/07/57/95/823075795.db2.gz YTCYMYAFDITNJQ-UHFFFAOYSA-N -1 0 396.515 4.069 20 0 GIADRM O=C(CSc1n[n-]c(=S)s1)Nc1cc(F)ccc1OCC(F)(F)F ZINC000175965674 823083734 /nfs/dbraw/zinc/08/37/34/823083734.db2.gz FKJHFLPCCGYKTD-UHFFFAOYSA-N -1 0 399.416 4.012 20 0 GIADRM O=S(=O)([N-]c1ccc2nc(C3CC3)oc2c1)c1ccc(Cl)nc1Cl ZINC000175971472 823085171 /nfs/dbraw/zinc/08/51/71/823085171.db2.gz SALXTRNTZRFOKO-UHFFFAOYSA-N -1 0 384.244 4.208 20 0 GIADRM O=C(CSc1n[n-]c(=S)s1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000175974143 823086151 /nfs/dbraw/zinc/08/61/51/823086151.db2.gz SOPULQUXDPUFAN-MRXNPFEDSA-N -1 0 399.566 4.467 20 0 GIADRM O=C([O-])c1ccc2c(c1)nc1n(c2=O)CC/C1=C\c1cccc(-c2ccccn2)c1 ZINC000570781455 823086468 /nfs/dbraw/zinc/08/64/68/823086468.db2.gz JDBAPVDWJSACLT-GHRIWEEISA-N -1 0 395.418 4.101 20 0 GIADRM CN(Cc1cc(Cl)cc(Cl)c1)C(=O)CSc1n[n-]c(=S)s1 ZINC000176054349 823108100 /nfs/dbraw/zinc/10/81/00/823108100.db2.gz WNABFXLCKSOMPY-UHFFFAOYSA-N -1 0 380.347 4.258 20 0 GIADRM CCCOc1ccc(NC(=O)CSc2n[n-]c(=S)s2)cc1Cl ZINC000176072102 823112585 /nfs/dbraw/zinc/11/25/85/823112585.db2.gz WEYPAULQMBQUNR-UHFFFAOYSA-N -1 0 375.928 4.374 20 0 GIADRM COc1ccc(-c2csc(NC(=O)C3(CC(=O)[O-])CCC3)n2)cc1Cl ZINC000571088420 823130507 /nfs/dbraw/zinc/13/05/07/823130507.db2.gz UAVORXNGDFPJBR-UHFFFAOYSA-N -1 0 380.853 4.056 20 0 GIADRM C[C@H](c1ccccc1)N(CC(=O)[O-])C(=O)N[C@@H]1CCSc2ccc(F)cc21 ZINC000571117361 823134759 /nfs/dbraw/zinc/13/47/59/823134759.db2.gz ABQAOFYMYAGMSH-CXAGYDPISA-N -1 0 388.464 4.220 20 0 GIADRM C[C@@H]1Cc2ccccc2N1C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000056369146 823138627 /nfs/dbraw/zinc/13/86/27/823138627.db2.gz XJRHMXIWCIQNPX-CQSZACIVSA-N -1 0 398.509 4.140 20 0 GIADRM CC(C)c1cc(C([O-])=C(C#N)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n[nH]1 ZINC000187830690 823141886 /nfs/dbraw/zinc/14/18/86/823141886.db2.gz LXVRIPFDJLZSGK-ZWNOBZJWSA-N -1 0 393.274 4.040 20 0 GIADRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CC[C@H](CC3CC3)C2)cc1 ZINC000571190063 823146036 /nfs/dbraw/zinc/14/60/36/823146036.db2.gz CRWRCASXGVKDOR-GOSISDBHSA-N 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Cc1csc(Nc2ccc(C(=O)N=c3nc(-c4ccsc4)[n-]s3)cc2)n1 ZINC000571630563 823211835 /nfs/dbraw/zinc/21/18/35/823211835.db2.gz RMPIEKPUQUSFJC-UHFFFAOYSA-N -1 0 399.526 4.449 20 0 GIADRM C[S@@](=O)c1ccc([N-]S(=O)(=O)c2cc3cc(Cl)ccc3s2)cc1 ZINC000176501839 823222978 /nfs/dbraw/zinc/22/29/78/823222978.db2.gz VIAANKRDBXJXHR-JOCHJYFZSA-N -1 0 385.919 4.093 20 0 GIADRM Cc1ccc(NC(=O)C(C)(C)C)cc1[N-]S(=O)(=O)c1cc(F)c(C)cc1F ZINC000121641797 823221104 /nfs/dbraw/zinc/22/11/04/823221104.db2.gz FMODIFQPSLVZKK-UHFFFAOYSA-N -1 0 396.459 4.367 20 0 GIADRM C/C=C\c1ccc([N-]S(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2OC)cc1 ZINC000571715505 823223403 /nfs/dbraw/zinc/22/34/03/823223403.db2.gz NAVSABDQBGEVTR-PLNGDYQASA-N -1 0 394.880 4.141 20 0 GIADRM CCN(C(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1)c1ccccc1 ZINC000056875097 823226927 /nfs/dbraw/zinc/22/69/27/823226927.db2.gz YLKGFWNTAOZVFD-UHFFFAOYSA-N -1 0 386.498 4.216 20 0 GIADRM COCc1ccc([C@H]2CCCN2[C@H](C(=O)[O-])c2cccc(Br)c2)o1 ZINC000571769276 823232029 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390.411 4.048 20 0 GIADRM O=C(NNc1ccccc1OC(F)(F)F)c1c([O-])cc(Cl)cc1Cl ZINC000190177541 823546756 /nfs/dbraw/zinc/54/67/56/823546756.db2.gz XMFFQYWKFPKLTK-UHFFFAOYSA-N -1 0 381.137 4.355 20 0 GIADRM CCC(CC)c1n[n-]c(=NC(=O)c2ccc(OCc3ccccn3)cc2)s1 ZINC000460971049 823553144 /nfs/dbraw/zinc/55/31/44/823553144.db2.gz DIUAEINIOKHBKP-UHFFFAOYSA-N -1 0 382.489 4.090 20 0 GIADRM Cc1cc(S(=O)(=O)[N-]c2cc(NC(=O)C(C)C)ccc2C)sc1Cl ZINC000190236460 823554169 /nfs/dbraw/zinc/55/41/69/823554169.db2.gz GAHWGZFPILKWOW-UHFFFAOYSA-N -1 0 386.926 4.414 20 0 GIADRM C[C@H]1SCCN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)[C@@H]1C ZINC000411275637 823561600 /nfs/dbraw/zinc/56/16/00/823561600.db2.gz KKZCAZRFDWLLCS-VXGBXAGGSA-N -1 0 389.521 4.117 20 0 GIADRM CCSc1cc(Cl)ccc1C(=O)N=c1nc(-c2cccnc2)[n-]s1 ZINC000461027400 823561656 /nfs/dbraw/zinc/56/16/56/823561656.db2.gz MLXULKFWAULMPW-UHFFFAOYSA-N -1 0 376.894 4.040 20 0 GIADRM COC(=O)c1csc([N-]S(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1C ZINC000190336902 823564485 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COc1ccccc1CN(Cc1cccs1)C(=O)CC(C)(C)CC(=O)[O-] ZINC000190611324 823591410 /nfs/dbraw/zinc/59/14/10/823591410.db2.gz KZEZPDFFTOICHA-UHFFFAOYSA-N -1 0 375.490 4.177 20 0 GIADRM C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(Oc2cccnc2)cc1)C(=O)[O-] ZINC000190672208 823597214 /nfs/dbraw/zinc/59/72/14/823597214.db2.gz QSEWQJORGKLSTI-QGZVFWFLSA-N -1 0 390.439 4.237 20 0 GIADRM FC(F)COc1ccc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)cc1 ZINC000461200899 823597367 /nfs/dbraw/zinc/59/73/67/823597367.db2.gz UCSOFPQDPYUSKZ-UHFFFAOYSA-N -1 0 397.328 4.016 20 0 GIADRM Cc1csc(-c2cccc(S(=O)(=O)[N-]c3ncc(Cl)cc3C)c2)n1 ZINC000461209194 823598890 /nfs/dbraw/zinc/59/88/90/823598890.db2.gz BUFNNXIEAYPWJE-UHFFFAOYSA-N -1 0 379.894 4.276 20 0 GIADRM O=C(OCc1ccccc1F)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000061495442 823599642 /nfs/dbraw/zinc/59/96/42/823599642.db2.gz RNHPBZKADKLWKY-UHFFFAOYSA-N -1 0 391.445 4.045 20 0 GIADRM COc1ccc(CN=c2[n-]nc(-c3cccc(OC(F)F)c3)o2)c(Cl)c1 ZINC000461211956 823599650 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4.066 20 0 GIADRM CCc1nnc(-c2ccc([N-]S(=O)(=O)c3cc(C)ccc3Cl)cc2)o1 ZINC000124693369 823618017 /nfs/dbraw/zinc/61/80/17/823618017.db2.gz XCPZCRNPGBMQOV-UHFFFAOYSA-N -1 0 377.853 4.062 20 0 GIADRM CO[C@@H]1CCOc2c([N-]S(=O)(=O)c3ccc(C(F)(F)F)s3)cccc21 ZINC000461341618 823620785 /nfs/dbraw/zinc/62/07/85/823620785.db2.gz LFBSETRXILFLEK-LLVKDONJSA-N -1 0 393.408 4.038 20 0 GIADRM CC(C)(C)OC(=O)Nc1cccc(C([O-])=C(C#N)c2cnc3ccccc3n2)c1 ZINC000190940008 823627641 /nfs/dbraw/zinc/62/76/41/823627641.db2.gz HEMMWLNUTJPHHI-MRXNPFEDSA-N -1 0 388.427 4.467 20 0 GIADRM CCCC[C@H](C)N(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000461417369 823632218 /nfs/dbraw/zinc/63/22/18/823632218.db2.gz KETJZRGUSHRKEZ-HNNXBMFYSA-N -1 0 394.562 4.129 20 0 GIADRM O=C([O-])CCCOc1ccc(CNC(=O)c2ccc(Cl)c3cccnc23)cc1 ZINC000191004578 823637287 /nfs/dbraw/zinc/63/72/87/823637287.db2.gz LITAKBIZWQFFOU-UHFFFAOYSA-N -1 0 398.846 4.062 20 0 GIADRM CC(C)CC(=O)Nc1ccc(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)cc1F ZINC000191014073 823638256 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GIADRM CCCCSc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1 ZINC000412325569 823646463 /nfs/dbraw/zinc/64/64/63/823646463.db2.gz WUBXCUDKBHQEFK-GFCCVEGCSA-N -1 0 394.928 4.076 20 0 GIADRM Cc1nc(CC(C)C)c(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)s1 ZINC000191102219 823649430 /nfs/dbraw/zinc/64/94/30/823649430.db2.gz NNFVBTGVWGAAKY-UHFFFAOYSA-N -1 0 382.869 4.019 20 0 GIADRM CCOCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(CC)s1 ZINC000062930347 823649464 /nfs/dbraw/zinc/64/94/64/823649464.db2.gz TWBRZURZRCBLEL-UHFFFAOYSA-N -1 0 389.926 4.180 20 0 GIADRM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)c1ccc(Oc2cccnc2)cc1 ZINC000191111291 823650245 /nfs/dbraw/zinc/65/02/45/823650245.db2.gz JDLVEXUUMHAFHD-HXUWFJFHSA-N -1 0 376.412 4.128 20 0 GIADRM Cc1cc([N-]S(=O)(=O)c2ccccc2Cl)ccc1NC(=O)c1ccco1 ZINC000125140063 823654480 /nfs/dbraw/zinc/65/44/80/823654480.db2.gz WTEJVQVAVBBWSY-UHFFFAOYSA-N -1 0 390.848 4.295 20 0 GIADRM C[C@@H](CN(C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c21)C1CC1)C(=O)[O-] ZINC000191163816 823655270 /nfs/dbraw/zinc/65/52/70/823655270.db2.gz JRBNTXILKZRKPZ-LBPRGKRZSA-N -1 0 399.491 4.014 20 0 GIADRM C[C@H](CN(C(=O)c1csc(-c2ccc(Cl)c(Cl)c2)n1)C1CC1)C(=O)[O-] ZINC000191168187 823655597 /nfs/dbraw/zinc/65/55/97/823655597.db2.gz VFFAHZURUUNSTJ-SECBINFHSA-N -1 0 399.299 4.442 20 0 GIADRM CN(Cc1ccc(OCC(=O)[O-])cc1)C(=O)CCCc1ccc2ccccc2c1 ZINC000191237821 823662175 /nfs/dbraw/zinc/66/21/75/823662175.db2.gz XZCFGNVDZGDQNC-UHFFFAOYSA-N -1 0 391.467 4.285 20 0 GIADRM C[C@@H](CC(=O)N(C)Cc1ccc(OCC(=O)[O-])cc1)Cc1ccc(Cl)cc1 ZINC000191237857 823662201 /nfs/dbraw/zinc/66/22/01/823662201.db2.gz STNXETXHLUKDDM-OAHLLOKOSA-N -1 0 389.879 4.031 20 0 GIADRM CCCc1cccc(C(C)C)c1[N-]S(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000191268796 823665574 /nfs/dbraw/zinc/66/55/74/823665574.db2.gz SJDUJYDBIUPNRI-UHFFFAOYSA-N -1 0 391.537 4.111 20 0 GIADRM COc1cc(/C=C(\C#N)c2cnc3ccccc3n2)cc(Br)c1[O-] ZINC000191350294 823675209 /nfs/dbraw/zinc/67/52/09/823675209.db2.gz SHKHMJODFXJNBM-WUXMJOGZSA-N -1 0 382.217 4.171 20 0 GIADRM C[C@@H](Cc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1)C(=O)[O-] ZINC000191430508 823684418 /nfs/dbraw/zinc/68/44/18/823684418.db2.gz HGDZPLDCVOIWRS-AWEZNQCLSA-N -1 0 396.418 4.315 20 0 GIADRM C[C@@H](Cc1ccc(NC(=O)c2cccc(OCc3cccnc3)c2)cc1)C(=O)[O-] ZINC000191435879 823684927 /nfs/dbraw/zinc/68/49/27/823684927.db2.gz DWNKLFNHFNJNIX-INIZCTEOSA-N -1 0 390.439 4.176 20 0 GIADRM CC(C)(C)c1nnsc1C(=O)[N-]c1nnc(Cc2cccc(Cl)c2)s1 ZINC000191436326 823685128 /nfs/dbraw/zinc/68/51/28/823685128.db2.gz ODLVHCBWVMTJPN-UHFFFAOYSA-N -1 0 393.925 4.184 20 0 GIADRM COC(=O)c1ccc(OC(C)C)c([N-]S(=O)(=O)c2ccc(C)cc2Cl)c1 ZINC000063635778 823685424 /nfs/dbraw/zinc/68/54/24/823685424.db2.gz ILIBOJPLBNNDSB-UHFFFAOYSA-N -1 0 397.880 4.023 20 0 GIADRM Cc1ccc(-c2nc(CC(=O)Nc3ccc(C[C@@H](C)C(=O)[O-])cc3)cs2)o1 ZINC000191439837 823685518 /nfs/dbraw/zinc/68/55/18/823685518.db2.gz LICKWYPSBGRIMH-GFCCVEGCSA-N -1 0 384.457 4.156 20 0 GIADRM C[C@@H](Cc1ccc(NC(=O)c2ccc(Oc3cccnc3)cc2)cc1)C(=O)[O-] ZINC000191447375 823686165 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GIADRM COc1ccc(OC2CCN(C(=O)c3cccc(C(F)(F)F)c3[O-])CC2)cc1 ZINC000574336615 823704458 /nfs/dbraw/zinc/70/44/58/823704458.db2.gz HCMUZNHJYZRGDM-UHFFFAOYSA-N -1 0 395.377 4.103 20 0 GIADRM C[C@H](Sc1ccccc1C(=O)NCC1(c2ccccc2Cl)CC1)C(=O)[O-] ZINC000191604590 823710327 /nfs/dbraw/zinc/71/03/27/823710327.db2.gz KIHVTWFBRIGGKR-ZDUSSCGKSA-N -1 0 389.904 4.367 20 0 GIADRM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccccc1S[C@H](C)C(=O)[O-] ZINC000191615060 823713328 /nfs/dbraw/zinc/71/33/28/823713328.db2.gz PTQSWBLVQCLQFX-GXTWGEPZSA-N -1 0 389.521 4.003 20 0 GIADRM Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccccc1S[C@@H](C)C(=O)[O-] ZINC000191615028 823713468 /nfs/dbraw/zinc/71/34/68/823713468.db2.gz PTQSWBLVQCLQFX-JSGCOSHPSA-N -1 0 389.521 4.003 20 0 GIADRM O=S(=O)([N-]c1cc(-c2cccnc2)on1)c1ccc2c(c1)Cc1ccccc1-2 ZINC000574379379 823714094 /nfs/dbraw/zinc/71/40/94/823714094.db2.gz NOEHUEUZUKDYTK-UHFFFAOYSA-N -1 0 389.436 4.109 20 0 GIADRM CC[C@H](C)CN(C)c1ccc(F)cc1CN[C@H](C)c1ncc(C(=O)[O-])s1 ZINC000574400087 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O=C(CCCc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)N1CCCCC1 ZINC000064618248 823853583 /nfs/dbraw/zinc/85/35/83/823853583.db2.gz IEMRAHRNYHTHLL-UHFFFAOYSA-N -1 0 379.309 4.003 20 0 GIADRM Cc1cc2ccccc2n1CC(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064697289 823866745 /nfs/dbraw/zinc/86/67/45/823866745.db2.gz HITKPYBABZIOAX-UHFFFAOYSA-N -1 0 380.828 4.088 20 0 GIADRM Cc1nc(C(C)C)sc1C(=O)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000064698193 823867201 /nfs/dbraw/zinc/86/72/01/823867201.db2.gz DPCZQDASLQRCDS-UHFFFAOYSA-N -1 0 376.862 4.061 20 0 GIADRM C[C@@H]1CC(C)(C)CN1C(=O)c1ccc(-n2[n-]c(Cc3ccccc3)cc2=O)cc1 ZINC000574991747 823880789 /nfs/dbraw/zinc/88/07/89/823880789.db2.gz HIRMMOHGWKNHSN-QGZVFWFLSA-N -1 0 389.499 4.283 20 0 GIADRM O=S(=O)([N-]c1cc(F)cc(Cl)c1O)c1cc(Cl)sc1Cl ZINC000167729870 823894560 /nfs/dbraw/zinc/89/45/60/823894560.db2.gz JBMOPPQIRGVDCF-UHFFFAOYSA-N -1 0 376.645 4.354 20 0 GIADRM Cn1nc(Br)cc1C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl ZINC000192200623 823900172 /nfs/dbraw/zinc/90/01/72/823900172.db2.gz 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C[C@H](C(=O)Nc1c([O-])c(Cl)cc(Cl)c1Cl)N(C)CC(F)(F)F ZINC000192239000 823912675 /nfs/dbraw/zinc/91/26/75/823912675.db2.gz OGEZTKXOTBMPLR-RXMQYKEDSA-N -1 0 379.593 4.174 20 0 GIADRM O=C([O-])CC1(CC(=O)NCc2cccc(COCc3ccccc3)c2)CCCC1 ZINC000414131665 823916496 /nfs/dbraw/zinc/91/64/96/823916496.db2.gz YDKBOBKZGPETHX-UHFFFAOYSA-N -1 0 395.499 4.445 20 0 GIADRM C[C@]([N-]S(=O)(=O)Cc1ccc(Cl)cc1Cl)(C1CC1)C(F)(F)F ZINC000575125886 823917972 /nfs/dbraw/zinc/91/79/72/823917972.db2.gz JEEBSTHBLQYMHW-LBPRGKRZSA-N -1 0 376.227 4.144 20 0 GIADRM O=C([O-])[C@H](NC(=O)Nc1ccc(OC(F)F)c(Cl)c1)C1CCCCC1 ZINC000575166158 823928981 /nfs/dbraw/zinc/92/89/81/823928981.db2.gz ZWDYLHRJEIOOHC-CYBMUJFWSA-N -1 0 376.787 4.096 20 0 GIADRM CC(C)c1ccc(S([O-])=CC(=O)NCCCO[C@H](C)c2ccccc2)cc1 ZINC000414225252 823933317 /nfs/dbraw/zinc/93/33/17/823933317.db2.gz BEKHETPKIOTPFM-CLYVBNDRSA-N -1 0 387.545 4.202 20 0 GIADRM CC(C(=O)N(C(C)C)C(C)C)=S([O-])c1ccc(Br)c(Cl)c1 ZINC000414264596 823945698 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380.460 4.126 20 0 GIADRM Clc1ccc(CSc2n[n-]c(=NCc3cnc(C4CC4)nc3)s2)cc1 ZINC000414304975 823954560 /nfs/dbraw/zinc/95/45/60/823954560.db2.gz MUXYYGSVGALMOF-UHFFFAOYSA-N -1 0 389.937 4.185 20 0 GIADRM COc1ccc(S(=O)(=O)[N-]c2ncc(-c3ccccc3)s2)c(Cl)c1 ZINC000575356709 823961384 /nfs/dbraw/zinc/96/13/84/823961384.db2.gz QLDVMFROGBOARI-UHFFFAOYSA-N -1 0 380.878 4.273 20 0 GIADRM Cc1onc(CN2CCC(c3nc4cc(Cl)ccc4s3)CC2)c1C(=O)[O-] ZINC000575412726 823968438 /nfs/dbraw/zinc/96/84/38/823968438.db2.gz KWJGESUZCYAWJP-UHFFFAOYSA-N -1 0 391.880 4.324 20 0 GIADRM COc1cc(OC)c(S(=O)(=O)[N-]c2c(C)cccc2SC)cc1Cl ZINC000414378577 823969406 /nfs/dbraw/zinc/96/94/06/823969406.db2.gz DNJLVMUAEWPTOU-UHFFFAOYSA-N -1 0 387.910 4.188 20 0 GIADRM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)CN(CC(F)(F)F)C3)sc1C ZINC000414385260 823970376 /nfs/dbraw/zinc/97/03/76/823970376.db2.gz FBKPYQHLGWKJTD-UHFFFAOYSA-N -1 0 390.452 4.044 20 0 GIADRM O=C(c1cc(-c2ccccc2)cc(Cl)c1[O-])N1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000575569927 823977742 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