smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCc2c(sc(NC(=O)c3cccc(C)c3)c2C(=O)[O-])C1 ZINC000020335536 202039559 /nfs/dbraw/zinc/03/95/59/202039559.db2.gz OCHTVKCHOGKDKE-UHFFFAOYSA-N -1 1 344.436 3.385 10 0 EGAEMM O=c1cc(C(F)(F)F)nc(NCc2ccc(C(F)(F)F)cc2)[n-]1 ZINC000057342726 201138999 /nfs/dbraw/zinc/13/89/99/201138999.db2.gz RBZIMUVILSBIAQ-UHFFFAOYSA-N -1 1 337.223 3.420 10 0 EGAEMM C[C@H]1CCCCN1C(=O)c1ccc(C=C2SC(=O)[N-]C2=O)cc1 ZINC000096865532 201377824 /nfs/dbraw/zinc/37/78/24/201377824.db2.gz PCQAGGUTQUJRDU-IWQAVIMZSA-N -1 1 330.409 3.025 10 0 EGAEMM COc1ccc(C(=O)C=C([O-])C(=O)Nc2c(C)cccc2C)cc1 ZINC000101354925 204005101 /nfs/dbraw/zinc/00/51/01/204005101.db2.gz YIQKUHDIWHMGAO-UHFFFAOYSA-N -1 1 325.364 3.093 10 0 biogenic EGAEMM CSc1nc(C)c(CCC(=O)N2CCC3(C2)CCCCC3)c(=O)[n-]1 ZINC000266033736 248050029 /nfs/dbraw/zinc/05/00/29/248050029.db2.gz CXPNWILICGTNLZ-UHFFFAOYSA-N -1 1 349.500 3.328 10 0 EGAEMM O=S(=O)(c1cc(F)cc(F)c1)c1cnc2c(F)cccc2c1[O-] ZINC000015828805 285046280 /nfs/dbraw/zinc/04/62/80/285046280.db2.gz WFHPALSTUMSCGE-UHFFFAOYSA-N -1 1 339.294 3.191 10 0 EGAEMM COc1ccccc1C[C@@H]1CCCN1C(=O)c1ccc([O-])cc1F ZINC000181191931 207898672 /nfs/dbraw/zinc/89/86/72/207898672.db2.gz TZCJMRNYVOJUFM-AWEZNQCLSA-N -1 1 329.371 3.387 10 0 EGAEMM COc1ccc([C@H](C)N2CCC(C(=O)[O-])CC2)c(Br)c1 ZINC000263441782 141049171 /nfs/dbraw/zinc/04/91/71/141049171.db2.gz WUDARSFOEDIFOG-JTQLQIEISA-N -1 1 342.233 3.315 10 0 EGAEMM O=S(=O)([N-]CCc1ccc2ccccc2n1)c1cc(F)ccc1F ZINC000344552234 141172081 /nfs/dbraw/zinc/17/20/81/141172081.db2.gz MCXOPTCMAWBJDH-UHFFFAOYSA-N -1 1 348.374 3.034 10 0 EGAEMM C[C@H]1CCCN(C(=O)c2cnc3n(C)[n-]cc-3c2=O)c2ccccc21 ZINC000185474450 144113468 /nfs/dbraw/zinc/11/34/68/144113468.db2.gz ZTCDRXVTAWZWFD-LBPRGKRZSA-N -1 1 336.395 3.218 10 0 EGAEMM Cc1cc(S(=O)(=O)[N-]c2cccc(-n3ccnc3)c2)c(C)s1 ZINC000116601860 152068598 /nfs/dbraw/zinc/06/85/98/152068598.db2.gz JAYZDWXWNZFGBS-UHFFFAOYSA-N -1 1 333.438 3.351 10 0 EGAEMM Cc1cccc2c1OCC[C@@H]2[N-]S(=O)(=O)c1c(F)cccc1F ZINC000188646351 153026929 /nfs/dbraw/zinc/02/69/29/153026929.db2.gz WEDOKDVPMQDSBP-AWEZNQCLSA-N -1 1 339.363 3.075 10 0 EGAEMM CCO[C@H]1C[C@@H](N(C)C(=O)c2ncc(C)cc2[O-])C12CCCCC2 ZINC000358642690 286467280 /nfs/dbraw/zinc/46/72/80/286467280.db2.gz ZZJNMHGMAYUOIS-CVEARBPZSA-N -1 1 332.444 3.296 10 0 EGAEMM O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1cncc([O-])c1 ZINC000339895982 155021920 /nfs/dbraw/zinc/02/19/20/155021920.db2.gz LOCJMAIRXKYILU-GFCCVEGCSA-N -1 1 330.693 3.474 10 0 EGAEMM Cc1[nH]nc2cc([N-]S(=O)(=O)c3ccc(Cl)cc3F)ccc12 ZINC000093909453 162032400 /nfs/dbraw/zinc/03/24/00/162032400.db2.gz QHKLEVFFBPPZCB-UHFFFAOYSA-N -1 1 339.779 3.465 10 0 EGAEMM COc1cc(C(=O)Nc2ccc(OC(F)F)nc2)cc(Cl)c1[O-] ZINC000338763141 163342017 /nfs/dbraw/zinc/34/20/17/163342017.db2.gz SJHKLDRBSXYOGP-UHFFFAOYSA-N -1 1 344.701 3.303 10 0 EGAEMM CC(=O)Nc1cccc(C(=O)N=c2cc(-c3ccc(C)s3)[n-][nH]2)c1 ZINC000354801391 166035291 /nfs/dbraw/zinc/03/52/91/166035291.db2.gz KVZOIJFKZQKJJZ-UHFFFAOYSA-N -1 1 340.408 3.079 10 0 EGAEMM COc1cc(S(=O)(=O)[N-]c2ccc3ccn(C)c3c2)ccc1F ZINC000349317638 164859428 /nfs/dbraw/zinc/85/94/28/164859428.db2.gz ZXNKQCJRAOTTMQ-UHFFFAOYSA-N -1 1 334.372 3.127 10 0 EGAEMM Cc1cc2c[nH]nc2cc1[N-]S(=O)(=O)c1ccc2ncsc2c1 ZINC000359055736 167052772 /nfs/dbraw/zinc/05/27/72/167052772.db2.gz OADCWAYHDHWRQV-UHFFFAOYSA-N -1 1 344.421 3.282 10 0 EGAEMM COCc1ccccc1CS(=O)(=O)[N-]c1ncc(Cl)cc1C ZINC000359477105 167167159 /nfs/dbraw/zinc/16/71/59/167167159.db2.gz WLPBXDISOFAEOP-UHFFFAOYSA-N -1 1 340.832 3.132 10 0 EGAEMM C[C@H](C(=O)OC(C)(C)C)N(C)C(=O)c1ccc2ccccc2c1[O-] ZINC000175863144 265143070 /nfs/dbraw/zinc/14/30/70/265143070.db2.gz PNPXVBPQGKPAFF-GFCCVEGCSA-N -1 1 329.396 3.348 10 0 EGAEMM O=C(NCc1ccc2ccccc2c1)c1nc2ccccc2c(=O)[n-]1 ZINC000069070542 275151010 /nfs/dbraw/zinc/15/10/10/275151010.db2.gz JBDGANCLUKKPLB-UHFFFAOYSA-N -1 1 329.359 3.006 10 0 EGAEMM CC1(C)CC[C@@H](NC(=O)c2nc3ccccc3c(=O)[n-]2)c2ccccc21 ZINC000347464188 275827249 /nfs/dbraw/zinc/82/72/49/275827249.db2.gz XHCCOPXKTWIWAY-QGZVFWFLSA-N -1 1 347.418 3.466 10 0 EGAEMM O=S(=O)([N-]CCc1cc(F)ccc1F)c1cc2ccccc2o1 ZINC000084939288 307445232 /nfs/dbraw/zinc/44/52/32/307445232.db2.gz DEGURFNTUQRTOT-UHFFFAOYSA-N -1 1 337.347 3.232 10 0 EGAEMM COc1cc(C(=O)N2CCSC[C@H]2C2CCC2)cc(Cl)c1[O-] ZINC000416322393 309168453 /nfs/dbraw/zinc/16/84/53/309168453.db2.gz MUINELRPKZWNTP-ZDUSSCGKSA-N -1 1 341.860 3.412 10 0 EGAEMM O=C([O-])C[C@H](NCc1cc(-c2ccccc2)n[nH]1)c1ccsc1 ZINC000426684727 309512741 /nfs/dbraw/zinc/51/27/41/309512741.db2.gz BEWCTNHBAPJRMZ-HNNXBMFYSA-N -1 1 327.409 3.444 10 0 EGAEMM COc1cc([N-]S(=O)(=O)c2cccc(F)c2C)cc2cccnc21 ZINC000427644065 309533066 /nfs/dbraw/zinc/53/30/66/309533066.db2.gz FNLCAKWYLOJINI-UHFFFAOYSA-N -1 1 346.383 3.492 10 0 EGAEMM Cc1cnc(C(=O)N2CCn3c(cc4cc(Cl)ccc43)C2)c([O-])c1 ZINC000427967072 309539237 /nfs/dbraw/zinc/53/92/37/309539237.db2.gz BQGVAHQORBVGQV-UHFFFAOYSA-N -1 1 341.798 3.360 10 0 EGAEMM Cc1nc(S(=O)(=O)[N-]Cc2cc3ccccc3s2)sc1C ZINC000432287150 309656494 /nfs/dbraw/zinc/65/64/94/309656494.db2.gz QVAMFNLBEDNHFJ-UHFFFAOYSA-N -1 1 338.479 3.453 10 0 EGAEMM Cc1nc(S(=O)(=O)[N-]CCc2c[nH]c3cc(C)ccc23)sc1C ZINC000435205877 309727254 /nfs/dbraw/zinc/72/72/54/309727254.db2.gz DRWNSTIMPSHHII-UHFFFAOYSA-N -1 1 349.481 3.071 10 0 EGAEMM CCOc1ccncc1S(=O)(=O)[N-]c1ccc(Cl)cc1F ZINC000436476773 309756602 /nfs/dbraw/zinc/75/66/02/309756602.db2.gz GCUZOBJFMWCARC-UHFFFAOYSA-N -1 1 330.768 3.074 10 0 EGAEMM CCOC(=O)[C@H](CCC(C)(C)C)NC(=O)c1ccc([O-])cc1F ZINC000436830398 309776674 /nfs/dbraw/zinc/77/66/74/309776674.db2.gz CSCYXHCZYBZYNI-AWEZNQCLSA-N -1 1 325.380 3.019 10 0 EGAEMM Cc1ccc(CN(CCO)C(=O)c2cc3ccccc3cc2[O-])o1 ZINC000436935825 309781819 /nfs/dbraw/zinc/78/18/19/309781819.db2.gz XPZGQLPCFWQOMJ-UHFFFAOYSA-N -1 1 325.364 3.082 10 0 EGAEMM COc1cc(C(=O)Nc2nc3cc(F)ccc3n2C)cc(Cl)c1[O-] ZINC000443290665 309898005 /nfs/dbraw/zinc/89/80/05/309898005.db2.gz CPMHNHQNAFMGLE-UHFFFAOYSA-N -1 1 349.749 3.332 10 0 EGAEMM O=C(NCC1(CO)CC2(CCC2)C1)c1cc2ccccc2cc1[O-] ZINC000447625471 309984727 /nfs/dbraw/zinc/98/47/27/309984727.db2.gz ARLIUAYLZUNVHP-UHFFFAOYSA-N -1 1 325.408 3.218 10 0 EGAEMM CC[C@@H]1C[C@H]1C(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000448696479 310012941 /nfs/dbraw/zinc/01/29/41/310012941.db2.gz IGAQAZRWDCBGAI-CXAGYDPISA-N -1 1 344.436 3.472 10 0 EGAEMM COc1cc(C(=O)N2CCC(OC(C)C)CC2)cc(Cl)c1[O-] ZINC000527193144 312838851 /nfs/dbraw/zinc/83/88/51/312838851.db2.gz HEDWSEIXLXEAGX-UHFFFAOYSA-N -1 1 327.808 3.084 10 0 EGAEMM O=S(=O)([N-]CC[C@@H]1CC=CCC1)c1ccc(Br)o1 ZINC000528528416 313113478 /nfs/dbraw/zinc/11/34/78/313113478.db2.gz CBFMOQULWIHWJZ-SNVBAGLBSA-N -1 1 334.235 3.067 10 0 EGAEMM COC1(C(=O)Nc2cc(Cl)c([O-])c3ccccc23)CCOCC1 ZINC000529538834 313348787 /nfs/dbraw/zinc/34/87/87/313348787.db2.gz LABXIMZZNDWNSN-UHFFFAOYSA-N -1 1 335.787 3.333 10 0 EGAEMM O=c1[n-]c(CN[C@@H](c2ccccc2)[C@@H]2CCCc3ccccc32)n[nH]1 ZINC000538227130 314233502 /nfs/dbraw/zinc/23/35/02/314233502.db2.gz ZCVCOFJSHOVGKP-MJGOQNOKSA-N -1 1 334.423 3.461 10 0 EGAEMM CC(C)(C)OC(=O)CCCSc1nc(C(F)(F)F)cc(=O)[n-]1 ZINC000543145013 314607722 /nfs/dbraw/zinc/60/77/22/314607722.db2.gz VJBCNNAXTGMLFZ-UHFFFAOYSA-N -1 1 338.351 3.415 10 0 EGAEMM CN(C)[C@@H]1CCOc2c(N=c3[n-]nc(C(F)(F)F)s3)cccc21 ZINC000568018119 316710452 /nfs/dbraw/zinc/71/04/52/316710452.db2.gz DLSPPGBLFBSYFC-SNVBAGLBSA-N -1 1 344.362 3.108 10 0 EGAEMM Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NC1(c2nn[n-]n2)CCCC1 ZINC000570343763 317042748 /nfs/dbraw/zinc/04/27/48/317042748.db2.gz RCRZHIFYERGMKJ-KGLIPLIRSA-N -1 1 339.443 3.075 10 0 EGAEMM CCC[C@H](NC(=O)[C@H](C)c1cccc(CC(C)C)c1)c1nn[n-]n1 ZINC000572185987 317303552 /nfs/dbraw/zinc/30/35/52/317303552.db2.gz GDRQYCZJGDQFOH-CJNGLKHVSA-N -1 1 329.448 3.159 10 0 EGAEMM COc1ccc(-c2noc(-c3cc(NC(C)=O)ccc3[O-])n2)cc1 ZINC000350566733 324090867 /nfs/dbraw/zinc/09/08/67/324090867.db2.gz FRPKRCULRTZTCX-UHFFFAOYSA-N -1 1 325.324 3.076 10 0 EGAEMM CCOc1cc(-c2noc(/C=C/c3cnccn3)n2)cc(Cl)c1[O-] ZINC000350785188 324119892 /nfs/dbraw/zinc/11/98/92/324119892.db2.gz BBNOBVFFJOCGCO-ONEGZZNKSA-N -1 1 344.758 3.455 10 0 EGAEMM CCS(=O)(=O)c1cccc(-c2nc(-c3ccc([O-])cc3F)no2)c1 ZINC000350809538 324122066 /nfs/dbraw/zinc/12/20/66/324122066.db2.gz ADCUZDYCOQSKGD-UHFFFAOYSA-N -1 1 348.355 3.042 10 0 EGAEMM Cc1ccc(CN[C@H](CC(=O)[O-])c2ccncc2)c(Br)c1 ZINC000580347231 325238805 /nfs/dbraw/zinc/23/88/05/325238805.db2.gz PJIQKAROHANEEY-OAHLLOKOSA-N -1 1 349.228 3.458 10 0 EGAEMM O=C(CSc1nc(C(F)(F)F)cc(=O)[n-]1)[C@@H]1Cc2ccccc21 ZINC000582819932 325471315 /nfs/dbraw/zinc/47/13/15/325471315.db2.gz GKUMIFZDMDNVMO-SNVBAGLBSA-N -1 1 340.326 3.202 10 0 EGAEMM CCC[C@]1(COC)CCCN1C(=O)c1cc(Cl)c([O-])c(OC)c1 ZINC000446697102 458215038 /nfs/dbraw/zinc/21/50/38/458215038.db2.gz PENQOHSGGLHSSL-QGZVFWFLSA-N -1 1 341.835 3.476 10 0 EGAEMM Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1cc(F)c(F)cc1Cl ZINC000003264505 452756432 /nfs/dbraw/zinc/75/64/32/452756432.db2.gz MQOLOVNJXSKUMR-UHFFFAOYSA-N -1 1 349.724 3.020 10 0 EGAEMM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000190402693 455309224 /nfs/dbraw/zinc/30/92/24/455309224.db2.gz GFKRJJZRHCNAKI-UHFFFAOYSA-N -1 1 345.399 3.429 10 0 EGAEMM CCCc1cc(=O)[n-]c(SCc2noc(-c3ccc(F)cc3)n2)n1 ZINC000005865923 452908332 /nfs/dbraw/zinc/90/83/32/452908332.db2.gz VFDAFQVGNMATDM-UHFFFAOYSA-N -1 1 346.387 3.204 10 0 EGAEMM CCc1ccc(N[C@@H](c2ccc3c(c2)OCCO3)[P@](=O)([O-])O)cc1 ZINC000012527130 453366555 /nfs/dbraw/zinc/36/65/55/453366555.db2.gz ZKXYVIVISYKMQU-QGZVFWFLSA-N -1 1 349.323 3.309 10 0 EGAEMM O=[P@]([O-])(O)[C@@H](NCc1ccc(OC(F)F)cc1)c1cccs1 ZINC000013016438 453439982 /nfs/dbraw/zinc/43/99/82/453439982.db2.gz WVOZRLGYAFMNKE-GFCCVEGCSA-N -1 1 349.295 3.316 10 0 EGAEMM Cc1ccc2c([O-])c(C(=O)N3CCC4(C3)CCCCC4)cnc2n1 ZINC000076482224 454005902 /nfs/dbraw/zinc/00/59/02/454005902.db2.gz MYRRTOHROZDUTD-UHFFFAOYSA-N -1 1 325.412 3.440 10 0 EGAEMM Cc1ccc2c(=O)c(C(=O)N3CCC4(C3)CCCCC4)c[n-]c2n1 ZINC000076482224 454005904 /nfs/dbraw/zinc/00/59/04/454005904.db2.gz MYRRTOHROZDUTD-UHFFFAOYSA-N -1 1 325.412 3.440 10 0 EGAEMM COc1ccc(F)c([N-]S(=O)(=O)c2cc(F)c(F)cc2F)c1 ZINC000088547072 454111665 /nfs/dbraw/zinc/11/16/65/454111665.db2.gz OPJABLGYLQCFPT-UHFFFAOYSA-N -1 1 335.278 3.052 10 0 EGAEMM COc1cc(/C=C/c2nccc(-c3cnn(C)c3)n2)cc(Cl)c1[O-] ZINC000093902777 454179036 /nfs/dbraw/zinc/17/90/36/454179036.db2.gz TYNCZFLWEZUQEL-ONEGZZNKSA-N -1 1 342.786 3.415 10 0 EGAEMM C[C@H](CCc1cccn1C)[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000132885748 454374583 /nfs/dbraw/zinc/37/45/83/454374583.db2.gz AEUFHRVZFWUHTF-LLVKDONJSA-N -1 1 344.839 3.117 10 0 EGAEMM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)s1 ZINC000132993113 454383972 /nfs/dbraw/zinc/38/39/72/454383972.db2.gz IBXTWZVOYYOFEO-MRVPVSSYSA-N -1 1 334.825 3.284 10 0 EGAEMM CC1(C(=O)[O-])CCN(Cc2cc(F)ccc2Br)CC1 ZINC000062844385 454385676 /nfs/dbraw/zinc/38/56/76/454385676.db2.gz NCVGVZIANPTGTK-UHFFFAOYSA-N -1 1 330.197 3.275 10 0 EGAEMM CCN(Cc1ccc(OC)cc1)C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000079405469 454410789 /nfs/dbraw/zinc/41/07/89/454410789.db2.gz XTDXSNHJJJZFJA-UHFFFAOYSA-N -1 1 337.379 3.006 10 0 EGAEMM O=S(=O)([N-][C@@H](c1nccs1)C1CC1)c1c(F)cccc1Cl ZINC000097147077 454417075 /nfs/dbraw/zinc/41/70/75/454417075.db2.gz FXTBQYVOGXQPMQ-LLVKDONJSA-N -1 1 346.836 3.365 10 0 EGAEMM C[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1Cl)c1nccs1 ZINC000133373687 454418838 /nfs/dbraw/zinc/41/88/38/454418838.db2.gz QLWJCDHFIPSUHH-QMMMGPOBSA-N -1 1 334.825 3.018 10 0 EGAEMM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)c1 ZINC000064947072 454518404 /nfs/dbraw/zinc/51/84/04/454518404.db2.gz LBDYSCGKKWYWBC-UHFFFAOYSA-N -1 1 334.422 3.007 10 0 EGAEMM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000074273480 454553703 /nfs/dbraw/zinc/55/37/03/454553703.db2.gz HIPYLXQBJJMDFK-INIZCTEOSA-N -1 1 337.354 3.452 10 0 EGAEMM 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LEYYJXFOEIGPAD-UHFFFAOYSA-N -1 1 330.384 3.188 10 0 EGAEMM C[C@H](NC(=O)c1cc(F)ccc1[O-])c1ccccc1-n1cccn1 ZINC000436585054 458338937 /nfs/dbraw/zinc/33/89/37/458338937.db2.gz LCZAJOGZVIFOMK-LBPRGKRZSA-N -1 1 325.343 3.208 10 0 EGAEMM Cc1ncsc1-c1nc(CSc2nc(C3CC3)cc(=O)[n-]2)no1 ZINC000373045419 458384481 /nfs/dbraw/zinc/38/44/81/458384481.db2.gz SBXFIGCPTDAPNK-UHFFFAOYSA-N -1 1 347.425 3.167 10 0 EGAEMM Cc1nc2ccccc2n1CCc1nc(-c2ccc([O-])cc2F)no1 ZINC000436879781 458398402 /nfs/dbraw/zinc/39/84/02/458398402.db2.gz OKACOBXNQKIZQA-UHFFFAOYSA-N -1 1 338.342 3.482 10 0 EGAEMM COc1cc(C)c(NC(=O)c2cc(NC(C)=O)ccc2[O-])cc1F ZINC000436933273 458409345 /nfs/dbraw/zinc/40/93/45/458409345.db2.gz HKVDSCDBIFWJLW-UHFFFAOYSA-N -1 1 332.331 3.059 10 0 EGAEMM CC(C)(C)c1nc(CSc2n[n-]c(=Nc3ccccc3)s2)n[nH]1 ZINC000430975451 458512656 /nfs/dbraw/zinc/51/26/56/458512656.db2.gz MRVPHHPIKWXBRA-UHFFFAOYSA-N -1 1 346.485 3.412 10 0 EGAEMM CCn1c(CN2[C@H](C)CC(C(=O)[O-])C[C@H]2C)nc2cc(F)ccc21 ZINC000530176533 458707639 /nfs/dbraw/zinc/70/76/39/458707639.db2.gz UJQOZFSGKJHTID-VXGBXAGGSA-N -1 1 333.407 3.269 10 0 EGAEMM C[C@@H]1C[C@@H](C(=O)[O-])C[C@H](C)N1Cc1csc(-c2ccccn2)n1 ZINC000530180090 458708911 /nfs/dbraw/zinc/70/89/11/458708911.db2.gz RAXSNOIQOTVZDD-CLLJXQQHSA-N -1 1 331.441 3.279 10 0 EGAEMM O=S(=O)([N-][C@H]1CCc2ccccc2C1)c1c(F)cccc1Cl ZINC000463686872 458714497 /nfs/dbraw/zinc/71/44/97/458714497.db2.gz PUAFDQYXYPEBLK-ZDUSSCGKSA-N -1 1 339.819 3.315 10 0 EGAEMM O=S(=O)([N-]CC1Cc2ccccc2C1)c1c(F)cccc1Cl ZINC000464399545 458751372 /nfs/dbraw/zinc/75/13/72/458751372.db2.gz DYEIVBYUDXCFFZ-UHFFFAOYSA-N -1 1 339.819 3.172 10 0 EGAEMM CCn1c(CN2[C@H](C)[C@H](C(=O)[O-])CC[C@@H]2C)nc2cc(F)ccc21 ZINC000566510722 458952548 /nfs/dbraw/zinc/95/25/48/458952548.db2.gz YIQNGNZHIUBFBS-OUCADQQQSA-N -1 1 333.407 3.269 10 0 EGAEMM CC(C)[C@@H]1C[C@H](C[N-]S(=O)(=O)c2cc3ccccc3o2)CCO1 ZINC000566837922 459007368 /nfs/dbraw/zinc/00/73/68/459007368.db2.gz JLJSKALJJRFPAY-CJNGLKHVSA-N -1 1 337.441 3.162 10 0 EGAEMM COc1cccc([C@H]2C[C@H](N(C)C(=O)c3ncc(C)cc3[O-])C2)c1 ZINC000567132940 459052364 /nfs/dbraw/zinc/05/23/64/459052364.db2.gz VPFDLZMJKKOQSO-SHTZXODSSA-N -1 1 326.396 3.122 10 0 EGAEMM O=C(C[C@H](c1ccc(O)cc1)C1CC1)Nc1n[n-]c(C(F)(F)F)n1 ZINC000577598492 459057896 /nfs/dbraw/zinc/05/78/96/459057896.db2.gz NYTQGZAPUJITEF-NSHDSACASA-N -1 1 340.305 3.052 10 0 EGAEMM COc1cc(CNC(=O)c2cc(Cl)c([O-])c(OC)c2)ccc1C ZINC000442949514 459064317 /nfs/dbraw/zinc/06/43/17/459064317.db2.gz YSXHFMVYCKCHNG-UHFFFAOYSA-N -1 1 335.787 3.301 10 0 EGAEMM CC[C@H](Sc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)OC(C)(C)C ZINC000478730394 459106696 /nfs/dbraw/zinc/10/66/96/459106696.db2.gz BHDWQJAWMFZLIN-ZETCQYMHSA-N -1 1 338.351 3.413 10 0 EGAEMM O=c1cc(/C=C\c2ccc(Cl)c(C(F)(F)F)c2)nc2nc[n-]n21 ZINC000486167201 459490513 /nfs/dbraw/zinc/49/05/13/459490513.db2.gz AVUOQEIGWOOGDV-IWQZZHSRSA-N -1 1 340.692 3.260 10 0 EGAEMM COc1c(Br)cccc1CN1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000566227048 459825602 /nfs/dbraw/zinc/82/56/02/459825602.db2.gz BPRJLFACYGDCFH-ZYHUDNBSSA-N -1 1 342.233 3.000 10 0 EGAEMM CCOc1cc(C(=O)NC[C@H]2CCC[C@H](C)O2)cc(Cl)c1[O-] ZINC000618566035 460062825 /nfs/dbraw/zinc/06/28/25/460062825.db2.gz QWCQDTXCDUDMDS-CMPLNLGQSA-N -1 1 327.808 3.132 10 0 EGAEMM O=C(NCCCO[C@H]1CCCCO1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000614276099 460078967 /nfs/dbraw/zinc/07/89/67/460078967.db2.gz NFBJQDFDOLWMDE-AWEZNQCLSA-N -1 1 347.333 3.074 10 0 EGAEMM O=c1cc(/C=C/c2ccc(OCc3ccccc3)cc2)nc2nc[n-]n21 ZINC000614334859 460103123 /nfs/dbraw/zinc/10/31/23/460103123.db2.gz QYXWTGRUFDQOTL-RMKNXTFCSA-N -1 1 344.374 3.167 10 0 EGAEMM O=C(c1cccc(C2CCCC2)c1)N1CCC[C@H](c2n[n-]c(=O)o2)C1 ZINC000614390670 460125999 /nfs/dbraw/zinc/12/59/99/460125999.db2.gz XBAWOEXQZUDETO-INIZCTEOSA-N -1 1 341.411 3.453 10 0 EGAEMM O=C(NC[C@@H]1C[C@H]1c1cccnc1)c1ccc(C(F)(F)F)c([O-])c1 ZINC000614415340 460134517 /nfs/dbraw/zinc/13/45/17/460134517.db2.gz JPJCDLHRMNHXDN-STQMWFEESA-N -1 1 336.313 3.340 10 0 EGAEMM CC1(C)CN(C(=O)c2nc3ccccc3c(=O)[n-]2)[C@@H]1c1ccccc1 ZINC000619261301 460317225 /nfs/dbraw/zinc/31/72/25/460317225.db2.gz XBMJWHDMLYTOMV-MRXNPFEDSA-N -1 1 333.391 3.146 10 0 EGAEMM Cc1cnc(C(=O)N2CC[C@H](c3cc(C)c(Cl)cc3O)C2)c([O-])c1 ZINC000619372640 460338548 /nfs/dbraw/zinc/33/85/48/460338548.db2.gz PSTYODYRYIYIPV-LBPRGKRZSA-N -1 1 346.814 3.393 10 0 EGAEMM O=C(c1ncc2ccccc2c1[O-])N1CCOCC12CCCCC2 ZINC000615985319 460442806 /nfs/dbraw/zinc/44/28/06/460442806.db2.gz WZHMJQSBDUFXDZ-UHFFFAOYSA-N -1 1 326.396 3.116 10 0 EGAEMM CC[C@@H](CC1CCCC1)C(=O)N=c1[nH][n-]c(C)c1Br ZINC000616010226 460450247 /nfs/dbraw/zinc/45/02/47/460450247.db2.gz IHILHYGGYBLWRU-NSHDSACASA-N -1 1 328.254 3.448 10 0 EGAEMM CCc1c(=O)n(CCCn2ccnc2)[n-]c1-c1ccc(F)cc1Cl ZINC000634634279 460453078 /nfs/dbraw/zinc/45/30/78/460453078.db2.gz UBVRLVJKHFBCRH-ZDUSSCGKSA-N -1 1 348.809 3.338 10 0 EGAEMM O=C(Nc1ccc(F)cc1[O-])[C@@H]1CCCn2cc(C(F)(F)F)nc21 ZINC000626277725 460460385 /nfs/dbraw/zinc/46/03/85/460460385.db2.gz MRBYGJTUKNTJPT-SECBINFHSA-N -1 1 343.280 3.263 10 0 EGAEMM COc1cc(C(=O)N2CC3(CCCC3)OC[C@@H]2C)cc(Cl)c1[O-] ZINC000619931015 460485152 /nfs/dbraw/zinc/48/51/52/460485152.db2.gz WKQWYCQUKWVSDI-NSHDSACASA-N -1 1 339.819 3.228 10 0 EGAEMM CCC[C@@H](NC(=O)c1cc(Cl)cc2ccccc21)c1nn[n-]n1 ZINC000612062716 460524830 /nfs/dbraw/zinc/52/48/30/460524830.db2.gz XHNNQDNNYWZGBZ-CQSZACIVSA-N -1 1 329.791 3.278 10 0 EGAEMM CC[C@H](C(=O)N=c1cc(-c2cccs2)[n-][nH]1)c1c(C)noc1C ZINC000616332893 460532039 /nfs/dbraw/zinc/53/20/39/460532039.db2.gz LSWNUMXXASQNNV-NSHDSACASA-N -1 1 330.413 3.297 10 0 EGAEMM O=C([O-])[C@@H]1CCN(Cc2coc(-c3cccs3)n2)[C@H]2CCC[C@@H]21 ZINC000629373070 460735965 /nfs/dbraw/zinc/73/59/65/460735965.db2.gz JNUFVXZEAFBZKF-MCIONIFRSA-N -1 1 332.425 3.478 10 0 EGAEMM CC(C)CCc1nnc([N-]C(=O)c2coc(-c3cccnc3)n2)s1 ZINC000617093305 460739917 /nfs/dbraw/zinc/73/99/17/460739917.db2.gz KQAFOLYSVNMWEW-UHFFFAOYSA-N -1 1 343.412 3.429 10 0 EGAEMM CC(C)CCc1nnc([N-]C(=O)c2cc(-c3ccncc3)on2)s1 ZINC000617097023 460743072 /nfs/dbraw/zinc/74/30/72/460743072.db2.gz DBWVDXDSNSDXFI-UHFFFAOYSA-N -1 1 343.412 3.429 10 0 EGAEMM COCC[C@@H]1CCCCN(C(=O)c2ncc3ccccc3c2[O-])C1 ZINC000613574991 461000764 /nfs/dbraw/zinc/00/07/64/461000764.db2.gz AHJJRINLAQEKEE-AWEZNQCLSA-N -1 1 328.412 3.219 10 0 EGAEMM CCOC(=O)c1nc(NC(=O)c2cc3cc(Cl)ccc3o2)c[n-]1 ZINC000617870310 461007568 /nfs/dbraw/zinc/00/75/68/461007568.db2.gz LRZJEOMIIVGKCW-UHFFFAOYSA-N -1 1 333.731 3.238 10 0 EGAEMM C[C@H]1Sc2ccc(C(=O)Nc3c([O-])cccc3F)cc2NC1=O ZINC000608365894 461047427 /nfs/dbraw/zinc/04/74/27/461047427.db2.gz LKYQSMQLSRAXDO-MRVPVSSYSA-N -1 1 332.356 3.216 10 0 EGAEMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccccc1CC(C)C ZINC000628281343 461071183 /nfs/dbraw/zinc/07/11/83/461071183.db2.gz QPMWRGKAAFDDTM-UHFFFAOYSA-N -1 1 345.468 3.341 10 0 EGAEMM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000633650901 461177733 /nfs/dbraw/zinc/17/77/33/461177733.db2.gz STLLUYLQESZALP-MORSLUCNSA-N -1 1 331.774 3.182 10 0 EGAEMM CC(C)CC[C@@H](NC(=O)CCc1nn[n-]n1)c1ccc(Cl)cc1 ZINC000630772214 461303233 /nfs/dbraw/zinc/30/32/33/461303233.db2.gz DSFQKNGYDIOFLE-CQSZACIVSA-N -1 1 335.839 3.079 10 0 EGAEMM CC(C)(C[N-]S(=O)(=O)c1sccc1Cl)[C@H]1CCCCO1 ZINC000649845551 461398102 /nfs/dbraw/zinc/39/81/02/461398102.db2.gz JMQUQTQRELOXJK-LLVKDONJSA-N -1 1 337.894 3.275 10 0 EGAEMM C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2[O-])C2(CCC2)CO1 ZINC000652880431 461400300 /nfs/dbraw/zinc/40/03/00/461400300.db2.gz CUISDNAMAXDOFK-SNVBAGLBSA-N -1 1 329.318 3.195 10 0 EGAEMM FC(F)(F)C(F)(F)c1n[n-]c(=NCc2[nH]nc3ccccc32)s1 ZINC000630956749 461436943 /nfs/dbraw/zinc/43/69/43/461436943.db2.gz IIZGWZMKTNCMBK-UHFFFAOYSA-N -1 1 349.288 3.103 10 0 EGAEMM CC(C)(O)C1CCC(C(=O)N=c2cc(-c3cccs3)[n-][nH]2)CC1 ZINC000653017033 461459027 /nfs/dbraw/zinc/45/90/27/461459027.db2.gz GXBXTOVFRFXUPU-UHFFFAOYSA-N -1 1 333.457 3.076 10 0 EGAEMM Cc1nc(SCC(=O)c2ccncc2Cl)[n-]c(=O)c1C1CC1 ZINC000631023436 461477357 /nfs/dbraw/zinc/47/73/57/461477357.db2.gz RBCAJFFHGUQSIP-UHFFFAOYSA-N -1 1 335.816 3.391 10 0 EGAEMM Cc1nc(SCC(=O)N(C)C2CCC(C)CC2)[n-]c(=O)c1C1CC1 ZINC000631024851 461478663 /nfs/dbraw/zinc/47/86/63/461478663.db2.gz GRUAVZUOILXTLJ-UHFFFAOYSA-N -1 1 349.500 3.497 10 0 EGAEMM Cc1ccc([N-]S(=O)(=O)c2c(Cl)cnn2C)c(Cl)c1C ZINC000647134966 461516121 /nfs/dbraw/zinc/51/61/21/461516121.db2.gz TVXAZJANZBQUAU-UHFFFAOYSA-N -1 1 334.228 3.145 10 0 EGAEMM O=C(c1ccc(C(F)(F)F)c([O-])c1)N1C[C@@H](CO)c2ccccc21 ZINC000647147805 461523149 /nfs/dbraw/zinc/52/31/49/461523149.db2.gz DTDRBNOKCCUCHG-NSHDSACASA-N -1 1 337.297 3.147 10 0 EGAEMM CC1(C)OCC[C@H]1C[N-]S(=O)(=O)c1cc(Cl)sc1Cl ZINC000660094502 461579043 /nfs/dbraw/zinc/57/90/43/461579043.db2.gz JSWZZIHZHPGWMZ-ZETCQYMHSA-N -1 1 344.285 3.148 10 0 EGAEMM CCNC(=O)c1cc([N-]C(=O)c2ncoc2C(F)(F)F)c(C)s1 ZINC000634419269 461596538 /nfs/dbraw/zinc/59/65/38/461596538.db2.gz UDXPQRYVRQPWMV-UHFFFAOYSA-N -1 1 347.318 3.065 10 0 EGAEMM C[C@@H]1CCN(Cc2csc(CCc3ccccc3)n2)C[C@H]1C(=O)[O-] ZINC000647367744 461660373 /nfs/dbraw/zinc/66/03/73/461660373.db2.gz HYTYEBUVEFRUEU-RHSMWYFYSA-N -1 1 344.480 3.471 10 0 EGAEMM CO[C@@H](CS(=O)(=O)[N-]c1cccc2c1ccn2C(F)F)C1CC1 ZINC000656634086 461816535 /nfs/dbraw/zinc/81/65/35/461816535.db2.gz UJBJLCZJAJKKLT-AWEZNQCLSA-N -1 1 344.383 3.203 10 0 EGAEMM O=C(C[C@@H]1OCc2cc(Cl)ccc21)Nc1n[n-]c(C(F)(F)F)n1 ZINC000654576541 462293508 /nfs/dbraw/zinc/29/35/08/462293508.db2.gz MOSCSVNWBWSANE-VIFPVBQESA-N -1 1 346.696 3.077 10 0 EGAEMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCC1(C2CCC2)CCC1 ZINC000654593557 462300177 /nfs/dbraw/zinc/30/01/77/462300177.db2.gz PGADOXLECJCTMR-UHFFFAOYSA-N -1 1 331.460 3.488 10 0 EGAEMM CCO[C@H]1C[C@@H](NC(=O)c2cc(Cl)c([O-])c(OC)c2)C12CCC2 ZINC000153889101 546885729 /nfs/dbraw/zinc/88/57/29/546885729.db2.gz QWMCMERFJILYLW-KGLIPLIRSA-N -1 1 339.819 3.132 10 0 EGAEMM CC(C)[C@@H]1c2ccccc2CCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000675627853 548945219 /nfs/dbraw/zinc/94/52/19/548945219.db2.gz CFTFTWOPOYRGFI-GOSISDBHSA-N -1 1 347.418 3.319 10 0 EGAEMM CSc1cc([N-]S(=O)(=O)c2ccc3ncccc3c2)ccn1 ZINC000678032105 549380584 /nfs/dbraw/zinc/38/05/84/549380584.db2.gz VWDNYGROGVNPIZ-UHFFFAOYSA-N -1 1 331.422 3.153 10 0 EGAEMM Cn1ncc(NC(=O)c2ccc(C(F)(F)F)cc2[O-])c1C(F)F ZINC000678966234 549606098 /nfs/dbraw/zinc/60/60/98/549606098.db2.gz PJFJYWKOPOXJHF-UHFFFAOYSA-N -1 1 335.232 3.334 10 0 EGAEMM COc1ccc(C(=O)C[C@H](C)C(=O)Nc2c([O-])cccc2F)cc1 ZINC000680370277 549856917 /nfs/dbraw/zinc/85/69/17/549856917.db2.gz BLZDGBDNISYOIB-NSHDSACASA-N -1 1 331.343 3.388 10 0 EGAEMM Cc1cnc(C(=O)N2CCC(c3ccc(F)c(F)c3)CC2)c([O-])c1 ZINC000681725090 550030910 /nfs/dbraw/zinc/03/09/10/550030910.db2.gz IZUGZOJHRKCYJJ-UHFFFAOYSA-N -1 1 332.350 3.394 10 0 EGAEMM O=C(N[C@@H]1CC12CCCC2)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000683219623 550205007 /nfs/dbraw/zinc/20/50/07/550205007.db2.gz WCAFLWHKNUCGGT-QGZVFWFLSA-N -1 1 342.439 3.329 10 0 EGAEMM O=C(N[C@H]1CC12CCCC2)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000683219622 550205052 /nfs/dbraw/zinc/20/50/52/550205052.db2.gz WCAFLWHKNUCGGT-KRWDZBQOSA-N -1 1 342.439 3.329 10 0 EGAEMM O=S(=O)(Cc1ccc2ccccc2c1)[N-][C@H]1CCCC1(F)F ZINC000685512084 550424226 /nfs/dbraw/zinc/42/42/26/550424226.db2.gz PVPQXOUTZHBSAR-HNNXBMFYSA-N -1 1 325.380 3.447 10 0 EGAEMM CCc1cc2c(COC(=O)c3cc(C)[nH]c3C)cc(=O)oc2cc1[O-] ZINC000728324304 574738610 /nfs/dbraw/zinc/73/86/10/574738610.db2.gz SUEDXDCJZITQTD-UHFFFAOYSA-N -1 1 341.363 3.363 10 0 EGAEMM Cc1n[n-]cc1S(=O)(=O)Oc1ccc(-c2ccc(C)cc2)cc1 ZINC000732215780 575247415 /nfs/dbraw/zinc/24/74/15/575247415.db2.gz WTYHPLOKRXPLEZ-UHFFFAOYSA-N -1 1 328.393 3.461 10 0 EGAEMM Cc1cc(C(=O)COC(=O)c2c([O-])cc(F)cc2F)c(C)n1C1CC1 ZINC000745522776 576849196 /nfs/dbraw/zinc/84/91/96/576849196.db2.gz NGQJTCWKCROZPA-UHFFFAOYSA-N -1 1 349.333 3.463 10 0 EGAEMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000007709542 1291086760 /nfs/dbraw/zinc/08/67/60/1291086760.db2.gz BFXHUQWGDRWHAR-UHFFFAOYSA-N -1 1 333.409 3.281 10 0 EGAEMM O=S(=O)([N-]C1CC1)c1c(Cl)cc(Br)cc1Cl ZINC000037383544 1291398689 /nfs/dbraw/zinc/39/86/89/1291398689.db2.gz WMMHRLYETAQGQG-UHFFFAOYSA-N -1 1 345.045 3.197 10 0 EGAEMM O=C(NCc1n[n-]c(=S)n1C1CC1)c1c[nH]c2cc(Cl)ccc12 ZINC000066638125 1292124851 /nfs/dbraw/zinc/12/48/51/1292124851.db2.gz XZLYPFYRKBPYJD-UHFFFAOYSA-N -1 1 347.831 3.340 10 0 EGAEMM Cc1c(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)oc2ccccc12 ZINC000081750999 1292672634 /nfs/dbraw/zinc/67/26/34/1292672634.db2.gz PCGWSKRKBDGKTI-UHFFFAOYSA-N -1 1 339.395 3.186 10 0 EGAEMM Cc1cc(Br)cnc1[N-]S(=O)(=O)CC1CCCCC1 ZINC000129686195 1293630899 /nfs/dbraw/zinc/63/08/99/1293630899.db2.gz KVNVIZJDYQNIFA-UHFFFAOYSA-N -1 1 347.278 3.475 10 0 EGAEMM Cc1nc(C)n(Cc2cccc(NC(=O)c3ccc([O-])cc3F)c2)n1 ZINC000164570253 1294350096 /nfs/dbraw/zinc/35/00/96/1294350096.db2.gz FYNZRUUZIAFRNG-UHFFFAOYSA-N -1 1 340.358 3.040 10 0 EGAEMM COCc1cccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2C)c1 ZINC000181155262 1294944581 /nfs/dbraw/zinc/94/45/81/1294944581.db2.gz IUXCLZINJLUPOG-UHFFFAOYSA-N -1 1 334.441 3.008 10 0 EGAEMM CCOc1cc(C(=O)N2C[C@@H](OC)CC[C@H]2C)cc(Cl)c1[O-] ZINC000870708139 1296032718 /nfs/dbraw/zinc/03/27/18/1296032718.db2.gz ZQYHLEYZTLANPF-PWSUYJOCSA-N -1 1 327.808 3.084 10 0 EGAEMM C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)c3cc4ccccc4cc3[O-])O2)CO1 ZINC000894645146 1308998979 /nfs/dbraw/zinc/99/89/79/1308998979.db2.gz OHDCTYHJTVAHQN-AUJRIZCKSA-N -1 1 341.407 3.002 10 0 EGAEMM COC(=O)c1csc(SC[C@@H](C)C(=O)c2ccc([O-])cc2)n1 ZINC000917772374 1319870385 /nfs/dbraw/zinc/87/03/85/1319870385.db2.gz QXNSQRJODUWWKF-SECBINFHSA-N -1 1 337.422 3.246 10 0 EGAEMM CCOc1ccccc1CCC(=O)n1[n-]c(=O)c2ccc(OC)cc21 ZINC000857509076 1328543300 /nfs/dbraw/zinc/54/33/00/1328543300.db2.gz YIVKAULMQRHJFN-UHFFFAOYSA-N -1 1 340.379 3.422 10 0 EGAEMM Cc1nc([C@@H]2CCCCN2C[C@H](C)C(=O)c2ccc([O-])cc2)no1 ZINC000929307550 1328562312 /nfs/dbraw/zinc/56/23/12/1328562312.db2.gz PEAZAJPYGFEALA-LRDDRELGSA-N -1 1 329.400 3.130 10 0 EGAEMM O=C(c1ccc2ccccc2c1[O-])N1CCC[C@@H](c2ncccn2)C1 ZINC000899535448 1317077096 /nfs/dbraw/zinc/07/70/96/1317077096.db2.gz SMZSYDWLMQQZOU-OAHLLOKOSA-N -1 1 333.391 3.355 10 0 EGAEMM Cc1cc(C)nc(C2CN(C(=O)c3ccc4ccccc4c3[O-])C2)n1 ZINC000913612755 1319073895 /nfs/dbraw/zinc/07/38/95/1319073895.db2.gz GMFLZABUXZLJFG-UHFFFAOYSA-N -1 1 333.391 3.192 10 0 EGAEMM CC(C)[C@@H](CCNc1cc(Cl)[n-]c(=O)n1)NC(=O)OC(C)(C)C ZINC000858634380 1328814995 /nfs/dbraw/zinc/81/49/95/1328814995.db2.gz QOBSVXFMBZXVOQ-SNVBAGLBSA-N -1 1 344.843 3.187 10 0 EGAEMM Cc1nc(C(C)C)sc1C(=O)CNC(=O)c1ccc([O-])c(F)c1 ZINC000914102468 1319237865 /nfs/dbraw/zinc/23/78/65/1319237865.db2.gz VSISIJJQBWGOMT-UHFFFAOYSA-N -1 1 336.388 3.032 10 0 EGAEMM CC(=O)[C@@H]([N-]S(=O)(=O)c1c(C)csc1C)c1ccccc1F ZINC000916404253 1319649908 /nfs/dbraw/zinc/64/99/08/1319649908.db2.gz JOGMYEWWAMDGCN-CQSZACIVSA-N -1 1 341.429 3.113 10 0 EGAEMM Cn1nc(C(F)(F)F)cc1CSc1nc(C(F)F)cc(=O)[n-]1 ZINC000917747987 1319867228 /nfs/dbraw/zinc/86/72/28/1319867228.db2.gz ZPBXYZOJUJKKRN-UHFFFAOYSA-N -1 1 340.277 3.164 10 0 EGAEMM O=S(=O)([N-]C[C@@H]1CCCC12CC2)c1c(Cl)ccnc1Cl ZINC000859422954 1328985021 /nfs/dbraw/zinc/98/50/21/1328985021.db2.gz HFKDWFIEQIDOBG-VIFPVBQESA-N -1 1 335.256 3.247 10 0 EGAEMM CCc1noc(C)c1[N-]C(=O)c1cc(Br)cnc1F ZINC000860410538 1329314421 /nfs/dbraw/zinc/31/44/21/1329314421.db2.gz VUTXDGNJCAXYBC-UHFFFAOYSA-N -1 1 328.141 3.094 10 0 EGAEMM CSC1CCC(CNC(=O)c2c(C)nc(C(C)C)[n-]c2=O)CC1 ZINC000927388255 1327999466 /nfs/dbraw/zinc/99/94/66/1327999466.db2.gz ZFPQYAVRSCTBCQ-UHFFFAOYSA-N -1 1 337.489 3.266 10 0 EGAEMM Cc1sc(C)c2c1[n-]c(-c1cccc(OC[C@@H](C)O)c1)nc2=O ZINC000864356283 1329609920 /nfs/dbraw/zinc/60/99/20/1329609920.db2.gz SNQHQIQMHGQIKU-SECBINFHSA-N -1 1 330.409 3.440 10 0 EGAEMM CC(C)(C)[C@@H]1CCN(C(=O)Cc2ccc([O-])c(Cl)c2)CCO1 ZINC001349790296 1391367222 /nfs/dbraw/zinc/36/72/22/1391367222.db2.gz MYIPTBSVFQYWGU-HNNXBMFYSA-N -1 1 325.836 3.252 10 0 EGAEMM O=C(NC[C@H]1CC[C@H](C2CC2)O1)c1c([O-])cnc2ccc(Cl)cc21 ZINC001184381499 1387444404 /nfs/dbraw/zinc/44/44/04/1387444404.db2.gz CDRCBYNDTOFFGQ-MLGOLLRUSA-N -1 1 346.814 3.281 10 0 EGAEMM Cc1ccccc1[C@]1(F)CC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC001193796471 1368117344 /nfs/dbraw/zinc/11/73/44/1368117344.db2.gz GNLKCWJFKXTGGM-IBGZPJMESA-N -1 1 327.403 3.439 10 0 EGAEMM Cc1nc(CC(=O)Nc2ccc(Br)c([O-])c2)cs1 ZINC001116737195 1370963734 /nfs/dbraw/zinc/96/37/34/1370963734.db2.gz KBQWCFAPEUEZKI-UHFFFAOYSA-N -1 1 327.203 3.101 10 0 EGAEMM CN(C)c1ccc(C(=O)Nc2ccc(Br)c([O-])c2)cc1 ZINC001326205418 1388127135 /nfs/dbraw/zinc/12/71/35/1388127135.db2.gz XCKFKGVWLWZOLA-UHFFFAOYSA-N -1 1 335.201 3.473 10 0 EGAEMM COC(=O)c1cc(C(C)=O)c(NC(=O)Cc2ccc(C)c(Cl)c2)[n-]1 ZINC001133688762 1376156198 /nfs/dbraw/zinc/15/61/98/1376156198.db2.gz VUKKGCGBQVWQJX-UHFFFAOYSA-N -1 1 348.786 3.147 10 0 EGAEMM CCOC(=O)c1nc(NC(=O)c2ccc(C(F)F)cc2)[n-]c1Cl ZINC001133885394 1376250784 /nfs/dbraw/zinc/25/07/84/1376250784.db2.gz KYIJTJVGEXOOGT-UHFFFAOYSA-N -1 1 343.717 3.430 10 0 EGAEMM CCOC(=O)c1nc(NC(=O)C[C@@H]2CCCC[C@@H]2C)[n-]c1Cl ZINC001133885685 1376250945 /nfs/dbraw/zinc/25/09/45/1376250945.db2.gz TWORXHXHVXGGLJ-UWVGGRQHSA-N -1 1 327.812 3.395 10 0 EGAEMM CCOC(=O)c1nc(NC(=O)c2sccc2C(F)F)[n-]c1Cl ZINC001134102957 1376368678 /nfs/dbraw/zinc/36/86/78/1376368678.db2.gz HIWVFUWAGPXDRI-UHFFFAOYSA-N -1 1 349.746 3.491 10 0 EGAEMM O=C(NCCc1ccc(N2CCCCC2)cc1)c1ccc(F)c([O-])c1 ZINC001136230411 1377367340 /nfs/dbraw/zinc/36/73/40/1377367340.db2.gz GDYFBHXYXLCRQZ-UHFFFAOYSA-N -1 1 342.414 3.494 10 0 EGAEMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)Nc1ncc(-c2ccccc2)s1 ZINC001136302218 1377375250 /nfs/dbraw/zinc/37/52/50/1377375250.db2.gz AXIDGMFMWBRREA-UHFFFAOYSA-N -1 1 344.421 3.155 10 0 EGAEMM Cc1ccc(OCCCNC(=O)c2cc(C)cc(C=O)c2[O-])cc1 ZINC001136500733 1377400645 /nfs/dbraw/zinc/40/06/45/1377400645.db2.gz ZAWYMBQUMCGDTD-UHFFFAOYSA-N -1 1 327.380 3.020 10 0 EGAEMM CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccc([O-])cn2)c1 ZINC001136789130 1377423256 /nfs/dbraw/zinc/42/32/56/1377423256.db2.gz JMRJYNLPNSUSKV-HSZRJFAPSA-N -1 1 332.425 3.087 10 0 EGAEMM COCCC1(CNC(=O)c2c([O-])cnc3c(F)cccc32)CCC1 ZINC001137271636 1377507730 /nfs/dbraw/zinc/50/77/30/1377507730.db2.gz QDUPXKRRWFLRKX-UHFFFAOYSA-N -1 1 332.375 3.016 10 0 EGAEMM C[Si](C)(C)c1ccc(CC(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001140657512 1378107235 /nfs/dbraw/zinc/10/72/35/1378107235.db2.gz UNJHTIJDXVHJRZ-UHFFFAOYSA-N -1 1 335.426 3.397 10 0 EGAEMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1ccc(O)c2ncccc12 ZINC001140729588 1378126183 /nfs/dbraw/zinc/12/61/83/1378126183.db2.gz NBESGXYMLSDCAS-UHFFFAOYSA-N -1 1 342.782 3.158 10 0 EGAEMM CC(=Cc1ccc(OC(F)(F)F)cc1)C(=O)Nc1c(C)[n-][nH]c1=O ZINC001141578384 1378345819 /nfs/dbraw/zinc/34/58/19/1378345819.db2.gz NKQDHPOFLXSKQA-BQYQJAHWSA-N -1 1 341.289 3.364 10 0 EGAEMM C[C@H]1CN(C(=O)c2ncc3ccccc3c2[O-])Cc2ccccc2O1 ZINC001141617713 1378351966 /nfs/dbraw/zinc/35/19/66/1378351966.db2.gz DZJPVEPEWDQZIU-ZDUSSCGKSA-N -1 1 334.375 3.364 10 0 EGAEMM CCOC(=O)c1c(C)c(C)sc1NC(=O)C(=O)c1ccc([O-])cc1 ZINC001142019034 1378405306 /nfs/dbraw/zinc/40/53/06/1378405306.db2.gz HLPUVCDRFUMVLY-UHFFFAOYSA-N -1 1 347.392 3.069 10 0 EGAEMM C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)CN1C(=O)c1cccc([O-])c1F ZINC001142578678 1378461526 /nfs/dbraw/zinc/46/15/26/1378461526.db2.gz ZOFZMPLYXFPXQH-VXGBXAGGSA-N -1 1 337.391 3.114 10 0 EGAEMM CN(C(=O)c1cccc([O-])c1F)[C@@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC001144362855 1378720344 /nfs/dbraw/zinc/72/03/44/1378720344.db2.gz OLXGHXUNWTZICF-MRXNPFEDSA-N -1 1 343.333 3.255 10 0 EGAEMM O=C(N[C@H]1CCc2ccccc2-n2ccnc21)c1cc(F)ccc1[O-] ZINC001148133480 1379123508 /nfs/dbraw/zinc/12/35/08/1379123508.db2.gz VFPQZCYTECKBMX-HNNXBMFYSA-N -1 1 337.354 3.134 10 0 EGAEMM O=C(Nc1cc(Cl)c([O-])c2ccccc12)c1ccnc2n[nH]nc21 ZINC001148251729 1379139238 /nfs/dbraw/zinc/13/92/38/1379139238.db2.gz AUGSZALRBAVQNI-UHFFFAOYSA-N -1 1 339.742 3.117 10 0 EGAEMM CC(C)(C)c1ccc([C@@H](O)CNC(=O)c2ccc(F)c([O-])c2)cc1 ZINC001149942895 1379471393 /nfs/dbraw/zinc/47/13/93/1379471393.db2.gz FLCUXVBHBDKUFU-KRWDZBQOSA-N -1 1 331.387 3.292 10 0 EGAEMM COCC1(C(=O)Nc2nc(Br)ccc2[O-])CCCCC1 ZINC001154597895 1380313611 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333.413 3.101 10 0 EGAEMM Cc1ccc(-c2nc(/C=C/c3cc(=O)n4[n-]cnc4n3)cs2)cc1 ZINC000352036079 280725136 /nfs/dbraw/zinc/72/51/36/280725136.db2.gz VQUUKHQZJXXDOV-VOTSOKGWSA-N -1 1 335.392 3.020 10 0 EGAEMM COc1cccc(C(=O)CSc2nc(C(F)(F)F)cc(=O)[n-]2)c1 ZINC000126991052 307577646 /nfs/dbraw/zinc/57/76/46/307577646.db2.gz KTEMSBXMRCTTAV-UHFFFAOYSA-N -1 1 344.314 3.185 10 0 EGAEMM CC[C@@H]1C[C@@H](Nc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)CCO1 ZINC000420620545 309290490 /nfs/dbraw/zinc/29/04/90/309290490.db2.gz QPCDEGYCSNEEJH-LSDHHAIUSA-N -1 1 328.416 3.231 10 0 EGAEMM Cc1ccc([C@@H](NCc2cc(Cl)cc3c2OCC3)C(=O)[O-])cc1 ZINC000426708262 309513226 /nfs/dbraw/zinc/51/32/26/309513226.db2.gz IEKQDUOXZXNPOT-MRXNPFEDSA-N -1 1 331.799 3.499 10 0 EGAEMM Cc1cnc(C(=O)NCC2(CCOCc3ccccc3)CC2)c([O-])c1 ZINC000427826090 309536472 /nfs/dbraw/zinc/53/64/72/309536472.db2.gz ZKWFNCDBMLVJQK-UHFFFAOYSA-N -1 1 340.423 3.213 10 0 EGAEMM CCS[C@H]1CCC[C@H]1[N-]S(=O)(=O)c1c(F)cccc1Cl ZINC000464206155 310618273 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O=S(=O)([N-][C@H]1CCCOC1)c1sc2ccccc2c1Cl ZINC000451169571 310163776 /nfs/dbraw/zinc/16/37/76/310163776.db2.gz GWCNXSXZSMWNBY-VIFPVBQESA-N -1 1 331.846 3.012 10 0 EGAEMM CO[C@H]1CC[C@@H]([N-]S(=O)(=O)c2sc3ccccc3c2Cl)C1 ZINC000451459543 310179326 /nfs/dbraw/zinc/17/93/26/310179326.db2.gz XNUUZQLCHBYHMF-ZJUUUORDSA-N -1 1 345.873 3.401 10 0 EGAEMM Cc1ccc(OCC[N-]S(=O)(=O)c2c(F)cccc2Cl)cc1 ZINC000463691678 310614912 /nfs/dbraw/zinc/61/49/12/310614912.db2.gz YPPXZRIPXXWENT-UHFFFAOYSA-N -1 1 343.807 3.145 10 0 EGAEMM O=S(=O)([N-]C/C=C/c1ccccc1)c1ccc(F)c(F)c1F ZINC000479973315 310887014 /nfs/dbraw/zinc/88/70/14/310887014.db2.gz YIJMWUBVAMVVEK-QPJJXVBHSA-N -1 1 327.327 3.096 10 0 EGAEMM Cc1ccc(S(=O)(=O)[N-]C[C@H](c2ccccc2)C(F)(F)F)o1 ZINC000485959881 310985410 /nfs/dbraw/zinc/98/54/10/310985410.db2.gz SXOLICIUGOKHKC-GFCCVEGCSA-N -1 1 333.331 3.212 10 0 EGAEMM CC(=O)N[C@@H](C(=O)Nc1cc(Cl)c([O-])c2ccccc12)C(C)C ZINC000529544517 313351252 /nfs/dbraw/zinc/35/12/52/313351252.db2.gz 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CSc1cc(Cl)ccc1[N-]C(=O)c1nnn(C(C)(C)C)n1 ZINC000617253037 460787549 /nfs/dbraw/zinc/78/75/49/460787549.db2.gz GOZFHEMHXXCVCH-UHFFFAOYSA-N -1 1 325.825 3.056 10 0 EGAEMM CCOC(=O)c1cnc(COc2ccc(C(C)(C)C)cc2)[n-]c1=O ZINC000005176637 452843034 /nfs/dbraw/zinc/84/30/34/452843034.db2.gz YBYFFFPGAVPKMF-UHFFFAOYSA-N -1 1 330.384 3.235 10 0 EGAEMM O=C(c1ccc(C(F)(F)F)cc1[O-])N1CCC(c2ccon2)CC1 ZINC000620225284 460581893 /nfs/dbraw/zinc/58/18/93/460581893.db2.gz OLSTZKFVQAKUPS-UHFFFAOYSA-N -1 1 340.301 3.419 10 0 EGAEMM COc1ccc(CN2Cc3cc(Cl)ccc3C[C@H]2C(=O)[O-])cc1 ZINC000008698963 453222522 /nfs/dbraw/zinc/22/25/22/453222522.db2.gz BDWICDJFVVVONM-KRWDZBQOSA-N -1 1 331.799 3.360 10 0 EGAEMM COc1cc(S(=O)(=O)[N-]c2c(C)cccc2C)ccc1NC(C)=O ZINC000013058356 453442833 /nfs/dbraw/zinc/44/28/33/453442833.db2.gz WNOUJMHCWLTTJX-UHFFFAOYSA-N -1 1 348.424 3.071 10 0 EGAEMM COc1cccc(C[C@H](C)[N-]S(=O)(=O)c2ccc(C(F)F)o2)c1 ZINC000631956019 460601983 /nfs/dbraw/zinc/60/19/83/460601983.db2.gz 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