smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2cccc(NC([O-])=NOCC(C)C)c2n1 ZINC000160110323 372214824 /nfs/dbraw/zinc/21/48/24/372214824.db2.gz FOQMJLXCMSTIMR-UHFFFAOYSA-N -1 3 273.336 3.252 20 70 CGIDHM Cc1ccc2cccc(NC(=O)[N-]OCC(C)C)c2n1 ZINC000160110323 372214832 /nfs/dbraw/zinc/21/48/32/372214832.db2.gz FOQMJLXCMSTIMR-UHFFFAOYSA-N -1 3 273.336 3.252 20 70 CGIDHM C[C@@H](OC1CCCCCC1)C(=O)Nc1ccccc1[O-] ZINC000160954226 372290180 /nfs/dbraw/zinc/29/01/80/372290180.db2.gz NGMXOZCODQJTSV-GFCCVEGCSA-N -1 3 277.364 3.459 20 70 CGIDHM CCc1cc(=O)[n-]c(CN[C@H](c2ccccc2)C(C)C)n1 ZINC000160586434 372261166 /nfs/dbraw/zinc/26/11/66/372261166.db2.gz WCPJKCXBTFCFLI-KRWDZBQOSA-N -1 3 285.391 3.232 20 70 CGIDHM O=C(NC1(c2ccccc2)CCC1)c1ccccc1[O-] ZINC000218423829 270085416 /nfs/dbraw/zinc/08/54/16/270085416.db2.gz FLEGQMHFEVYYFO-UHFFFAOYSA-N -1 3 267.328 3.201 20 70 CGIDHM CC(C)C[C@@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000161090524 528377064 /nfs/dbraw/zinc/37/70/64/528377064.db2.gz PLURDVNEWSMHHY-ZDUSSCGKSA-N -1 3 261.365 3.291 20 70 CGIDHM CC[C@@H](OC1CCCCC1)C(=O)Nc1ccccc1[O-] ZINC000160953830 372290940 /nfs/dbraw/zinc/29/09/40/372290940.db2.gz XEPBLRUETZIUDK-OAHLLOKOSA-N -1 3 277.364 3.459 20 70 CGIDHM CC(C)CO[N-]C(=O)Nc1cc(Cl)ccc1N(C)C ZINC000160406534 372244793 /nfs/dbraw/zinc/24/47/93/372244793.db2.gz MRCWFVOJRZNAGT-UHFFFAOYSA-N -1 3 285.775 3.115 20 70 CGIDHM CCc1ccc([C@H](C)NCc2nc(CC)cc(=O)[n-]2)cc1 ZINC000160543164 372256769 /nfs/dbraw/zinc/25/67/69/372256769.db2.gz DMUBMZQSZUXPIM-LBPRGKRZSA-N -1 3 285.391 3.158 20 70 CGIDHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)c2ccccc2F)n1 ZINC000160902807 372286978 /nfs/dbraw/zinc/28/69/78/372286978.db2.gz ZGOHYZYUAUQOAP-NSHDSACASA-N -1 3 289.354 3.077 20 70 CGIDHM Cc1ccc(NC(=O)c2cccc(C)c2F)c([O-])c1 ZINC000160401453 232245055 /nfs/dbraw/zinc/24/50/55/232245055.db2.gz QFJFGLMYQGTOMI-UHFFFAOYSA-N -1 3 259.280 3.400 20 70 CGIDHM COc1cc(C(=O)Nc2cc(Cl)ccc2[O-])ccc1F ZINC000159655807 372166290 /nfs/dbraw/zinc/16/62/90/372166290.db2.gz LXESHNKSXNFVPX-UHFFFAOYSA-N -1 3 295.697 3.446 20 70 CGIDHM COc1ccc([O-])c(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 ZINC000217566834 572394756 /nfs/dbraw/zinc/39/47/56/572394756.db2.gz BAQXLBDKRCMBEQ-KRWDZBQOSA-N -1 3 297.354 3.282 20 70 CGIDHM Cc1ccc([C@H](C)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000159700830 346168863 /nfs/dbraw/zinc/16/88/63/346168863.db2.gz BPYNBDUXACFLSX-GFCCVEGCSA-N -1 3 295.429 3.139 20 70 CGIDHM COc1cc(NCc2cc([O-])cc(F)c2)ccc1F ZINC000160113623 372214105 /nfs/dbraw/zinc/21/41/05/372214105.db2.gz UUEYUKQMDFMURE-UHFFFAOYSA-N -1 3 265.259 3.291 20 70 CGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccsc2)n1 ZINC000160855295 372284223 /nfs/dbraw/zinc/28/42/23/372284223.db2.gz PHDOWHIIZDSNBB-ZDUSSCGKSA-N -1 3 289.404 3.143 20 70 CGIDHM COc1ccc([O-])c(C(=O)NCCC2=CCCCC2)c1 ZINC000218114657 270085430 /nfs/dbraw/zinc/08/54/30/270085430.db2.gz DCQYOUBSQMFHMY-UHFFFAOYSA-N -1 3 275.348 3.021 20 70 CGIDHM COc1ccc([O-])c(C(=O)NC2(c3ccccc3)CCC2)c1 ZINC000218424046 329469865 /nfs/dbraw/zinc/46/98/65/329469865.db2.gz ZQXHCFWSJBPBLY-UHFFFAOYSA-N -1 3 297.354 3.210 20 70 CGIDHM C[C@@H]1CC[C@@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@H](C)C1 ZINC000159861564 346169231 /nfs/dbraw/zinc/16/92/31/346169231.db2.gz QDSWAGCZGDHZMI-JTNHKYCSSA-N -1 3 294.370 3.155 20 70 CGIDHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](CC(C)C)C2)c1 ZINC000161051931 372298617 /nfs/dbraw/zinc/29/86/17/372298617.db2.gz FCVCOCKRSAFIMU-ZDUSSCGKSA-N -1 3 291.391 3.299 20 70 CGIDHM C[C@@H]([N-]C(=O)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000217636859 376177354 /nfs/dbraw/zinc/17/73/54/376177354.db2.gz FEIDVESWXKFSHF-ZCFIWIBFSA-N -1 3 267.197 3.148 20 70 CGIDHM CCOc1ccc(NC(=O)c2cccc(C)c2[O-])cc1F ZINC000159694149 528551241 /nfs/dbraw/zinc/55/12/41/528551241.db2.gz OIGBDUUITZPUPY-UHFFFAOYSA-N -1 3 289.306 3.491 20 70 CGIDHM CC(C)CO[N-]C(=O)Nc1cccc(C(F)F)c1 ZINC000159823247 372185342 /nfs/dbraw/zinc/18/53/42/372185342.db2.gz JHKKKQGOCRHEBR-UHFFFAOYSA-N -1 3 258.268 3.333 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCC[C@H](C)C3)[n-]2)o1 ZINC000160259008 372232306 /nfs/dbraw/zinc/23/23/06/372232306.db2.gz IIVOVBDLPULBPL-ONGXEEELSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCC[C@H](C)C3)n2)o1 ZINC000160259008 372232314 /nfs/dbraw/zinc/23/23/14/372232314.db2.gz IIVOVBDLPULBPL-ONGXEEELSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCC[C@H](C)C3)n[n-]2)o1 ZINC000160259008 372232321 /nfs/dbraw/zinc/23/23/21/372232321.db2.gz IIVOVBDLPULBPL-ONGXEEELSA-N -1 3 288.351 3.138 20 70 CGIDHM C[C@H](OC1CCCCCC1)C(=O)Nc1ccccc1[O-] ZINC000160954095 372291215 /nfs/dbraw/zinc/29/12/15/372291215.db2.gz NGMXOZCODQJTSV-LBPRGKRZSA-N -1 3 277.364 3.459 20 70 CGIDHM O=C(C1CCC(F)(F)CC1)N1CCCc2cccc([O-])c21 ZINC000160981737 372292908 /nfs/dbraw/zinc/29/29/08/372292908.db2.gz KSYWDVPDKCSLJO-UHFFFAOYSA-N -1 3 295.329 3.497 20 70 CGIDHM CC(C)CO[N-]C(=O)Nc1cc(F)cc(Cl)c1 ZINC000161077786 372299825 /nfs/dbraw/zinc/29/98/25/372299825.db2.gz YEKMJMXETXMTFN-UHFFFAOYSA-N -1 3 260.696 3.188 20 70 CGIDHM Cc1cc(NC(=O)Cc2ccc([O-])cc2Cl)ccc1O ZINC000160694156 372268022 /nfs/dbraw/zinc/26/80/22/372268022.db2.gz ANQLGOQXJBYLEE-UHFFFAOYSA-N -1 3 291.734 3.241 20 70 CGIDHM Cc1cccc(CS(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000160829606 372279077 /nfs/dbraw/zinc/27/90/77/372279077.db2.gz XVWLTUIVRVJADQ-UHFFFAOYSA-N -1 3 293.363 3.384 20 70 CGIDHM O=C(CCCC1CCCCC1)[N-]OCc1cccnc1 ZINC000160832255 372279164 /nfs/dbraw/zinc/27/91/64/372279164.db2.gz NUJLQPHWDLOZSA-UHFFFAOYSA-N -1 3 276.380 3.380 20 70 CGIDHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)c2ccc(C)cc2)n1 ZINC000160871272 372283923 /nfs/dbraw/zinc/28/39/23/372283923.db2.gz DXQJCKNUQMOVAX-CYBMUJFWSA-N -1 3 285.391 3.246 20 70 CGIDHM COC(=O)c1ccc(C)c(NC(=O)c2cc(C)ccc2[O-])c1 ZINC000218332601 270085572 /nfs/dbraw/zinc/08/55/72/270085572.db2.gz KDTWJUCKWRITMT-UHFFFAOYSA-N -1 3 299.326 3.048 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)C[C@@H]3CC[C@@H](C)C3)[n-]2)o1 ZINC000160188210 372224374 /nfs/dbraw/zinc/22/43/74/372224374.db2.gz IAKMATABNZKXMP-MWLCHTKSSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H]3CC[C@@H](C)C3)n2)o1 ZINC000160188210 372224379 /nfs/dbraw/zinc/22/43/79/372224379.db2.gz IAKMATABNZKXMP-MWLCHTKSSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3CC[C@@H](C)C3)n[n-]2)o1 ZINC000160188210 372224384 /nfs/dbraw/zinc/22/43/84/372224384.db2.gz IAKMATABNZKXMP-MWLCHTKSSA-N -1 3 288.351 3.138 20 70 CGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2cccs2)n1 ZINC000160549030 372258307 /nfs/dbraw/zinc/25/83/07/372258307.db2.gz KPAHWNFCLSDQOI-GFCCVEGCSA-N -1 3 289.404 3.143 20 70 CGIDHM Cc1ccc([O-])c(CN(C)Cc2cccc(Cl)c2)n1 ZINC000161128319 372304074 /nfs/dbraw/zinc/30/40/74/372304074.db2.gz YAZFJUKIFPYLKU-UHFFFAOYSA-N -1 3 276.767 3.381 20 70 CGIDHM Cc1cc2occ(CC(=O)Nc3ncccc3[O-])c2cc1C ZINC000216836202 376168178 /nfs/dbraw/zinc/16/81/78/376168178.db2.gz IBYIXKPSDHQERN-UHFFFAOYSA-N -1 3 296.326 3.331 20 70 CGIDHM COc1cc(NC(=O)c2cc(C)ccc2[O-])ccc1F ZINC000160408112 533016870 /nfs/dbraw/zinc/01/68/70/533016870.db2.gz QQXFIDFDOHOCGA-UHFFFAOYSA-N -1 3 275.279 3.101 20 70 CGIDHM Cc1cccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)c1[O-] ZINC000217154523 270085243 /nfs/dbraw/zinc/08/52/43/270085243.db2.gz VAWXZOPEGDLHBG-UHFFFAOYSA-N -1 3 299.355 3.405 20 70 CGIDHM COc1ccc(N(C)C(=O)c2ccc(C)cc2[O-])cc1F ZINC000159401639 321834260 /nfs/dbraw/zinc/83/42/60/321834260.db2.gz KOSHNJYBBYUBNL-UHFFFAOYSA-N -1 3 289.306 3.125 20 70 CGIDHM O=C(N[C@H](c1ccccc1)C1CC1)c1ccccc1[O-] ZINC000217565799 270085197 /nfs/dbraw/zinc/08/51/97/270085197.db2.gz KLGIXTXVBKORCT-MRXNPFEDSA-N -1 3 267.328 3.273 20 70 CGIDHM Cc1cccc(C(=O)NCc2nc(C(C)C)cs2)c1[O-] ZINC000160575513 534610383 /nfs/dbraw/zinc/61/03/83/534610383.db2.gz DMQMCCCPIVJKAP-UHFFFAOYSA-N -1 3 290.388 3.211 20 70 CGIDHM Cc1ccc(C(=O)N2CCC(OC(C)(C)C)CC2)c([O-])c1 ZINC000160856054 292050883 /nfs/dbraw/zinc/05/08/83/292050883.db2.gz XBZXIPNKBDURHT-UHFFFAOYSA-N -1 3 291.391 3.120 20 70 CGIDHM CC[C@H]1CCC[C@@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000159498255 372148804 /nfs/dbraw/zinc/14/88/04/372148804.db2.gz DJXSCBZMUBNEDG-HZMBPMFUSA-N -1 3 281.783 3.283 20 70 CGIDHM CCCCn1ncc(C(=O)Nc2cc(F)ccc2[O-])c1C ZINC000160007994 372202992 /nfs/dbraw/zinc/20/29/92/372202992.db2.gz GNYYAVXYVDRNNO-UHFFFAOYSA-N -1 3 291.326 3.089 20 70 CGIDHM Cc1ccc(NC(=O)c2ccn(C3CCCC3)n2)c([O-])c1 ZINC000159569079 321836487 /nfs/dbraw/zinc/83/64/87/321836487.db2.gz TUXCJNXUWOWCPA-UHFFFAOYSA-N -1 3 285.347 3.265 20 70 CGIDHM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)[N-]OCc2cccnc2)o1 ZINC000160774039 372274885 /nfs/dbraw/zinc/27/48/85/372274885.db2.gz COIBKPBVCAPCNT-VQOXYXNASA-N -1 3 298.342 3.059 20 70 CGIDHM CCCC[C@H](CC)CNC(=O)c1cccc(OC)c1[O-] ZINC000218084749 270085539 /nfs/dbraw/zinc/08/55/39/270085539.db2.gz ZXHSWGVPAICPDQ-LBPRGKRZSA-N -1 3 279.380 3.347 20 70 CGIDHM CCc1ccc([C@@H](C)NCc2nc(CC)cc(=O)[n-]2)cc1 ZINC000160543078 372255629 /nfs/dbraw/zinc/25/56/29/372255629.db2.gz DMUBMZQSZUXPIM-GFCCVEGCSA-N -1 3 285.391 3.158 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C)c(C)c3)[n-]2)o1 ZINC000160382371 525853924 /nfs/dbraw/zinc/85/39/24/525853924.db2.gz YWFDHJMHTCRMBT-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C)c(C)c3)n2)o1 ZINC000160382371 525853935 /nfs/dbraw/zinc/85/39/35/525853935.db2.gz YWFDHJMHTCRMBT-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C)c(C)c3)n[n-]2)o1 ZINC000160382371 525853947 /nfs/dbraw/zinc/85/39/47/525853947.db2.gz YWFDHJMHTCRMBT-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM CC(C)CO[N-]C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000159377871 372138058 /nfs/dbraw/zinc/13/80/58/372138058.db2.gz VMIXNQSGKJLHKZ-UHFFFAOYSA-N -1 3 295.358 3.135 20 70 CGIDHM CC(C)(C)C1=CCN(C(=O)c2ccccc2[O-])CC1 ZINC000160990286 372292449 /nfs/dbraw/zinc/29/24/49/372292449.db2.gz LZTZDCVLFQAZDC-UHFFFAOYSA-N -1 3 259.349 3.211 20 70 CGIDHM Cc1cccc(C(=O)N2CC=C(C(F)(F)F)CC2)c1[O-] ZINC000160601506 372260784 /nfs/dbraw/zinc/26/07/84/372260784.db2.gz MBMWNWHGPNDCJB-UHFFFAOYSA-N -1 3 285.265 3.035 20 70 CGIDHM CCCC[C@@H](CC)CNC(=O)c1cccc(OC)c1[O-] ZINC000218084672 270085411 /nfs/dbraw/zinc/08/54/11/270085411.db2.gz ZXHSWGVPAICPDQ-GFCCVEGCSA-N -1 3 279.380 3.347 20 70 CGIDHM COc1c(Cl)cccc1NC([O-])=NOCC(C)C ZINC000159521395 372151603 /nfs/dbraw/zinc/15/16/03/372151603.db2.gz RVUHKRKWBDHXOD-UHFFFAOYSA-N -1 3 272.732 3.058 20 70 CGIDHM COc1c(Cl)cccc1NC(=O)[N-]OCC(C)C ZINC000159521395 372151617 /nfs/dbraw/zinc/15/16/17/372151617.db2.gz RVUHKRKWBDHXOD-UHFFFAOYSA-N -1 3 272.732 3.058 20 70 CGIDHM COc1ccc(C(C)(C)C(=O)Nc2ccccc2[O-])cc1 ZINC000160529862 321853222 /nfs/dbraw/zinc/85/32/22/321853222.db2.gz HDYNQDOJFCHXPN-UHFFFAOYSA-N -1 3 285.343 3.317 20 70 CGIDHM Cc1ccc([O-])c(C(=O)N2CC=C(C(F)(F)F)CC2)c1 ZINC000160600624 372261234 /nfs/dbraw/zinc/26/12/34/372261234.db2.gz NWDGEHIURLUQHM-UHFFFAOYSA-N -1 3 285.265 3.035 20 70 CGIDHM Cc1cccc(C(=O)N2CCC(OC(C)(C)C)CC2)c1[O-] ZINC000160918268 372286933 /nfs/dbraw/zinc/28/69/33/372286933.db2.gz NMJJIVJMIDBTOL-UHFFFAOYSA-N -1 3 291.391 3.120 20 70 CGIDHM Cc1ccc([O-])c(C(=O)NCc2nc(C(C)C)cs2)c1 ZINC000160579622 232245957 /nfs/dbraw/zinc/24/59/57/232245957.db2.gz IDENYOUDIHLFNJ-UHFFFAOYSA-N -1 3 290.388 3.211 20 70 CGIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(Cl)cc2)n1 ZINC000160525876 372254398 /nfs/dbraw/zinc/25/43/98/372254398.db2.gz UABSTCUXPFVYBC-UHFFFAOYSA-N -1 3 291.782 3.030 20 70 CGIDHM Cc1ccc(NC(=O)COc2cc(C)ccc2F)c([O-])c1 ZINC000160345173 321850334 /nfs/dbraw/zinc/85/03/34/321850334.db2.gz HFCCXHNAHPSSEE-UHFFFAOYSA-N -1 3 289.306 3.166 20 70 CGIDHM CCC[C@@H](C)CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160389451 520628627 /nfs/dbraw/zinc/62/86/27/520628627.db2.gz BXFJTSLWQZZBER-SECBINFHSA-N -1 3 276.340 3.138 20 70 CGIDHM CCC[C@@H](C)CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160389451 520628632 /nfs/dbraw/zinc/62/86/32/520628632.db2.gz BXFJTSLWQZZBER-SECBINFHSA-N -1 3 276.340 3.138 20 70 CGIDHM CCC[C@@H](C)CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160389451 520628636 /nfs/dbraw/zinc/62/86/36/520628636.db2.gz BXFJTSLWQZZBER-SECBINFHSA-N -1 3 276.340 3.138 20 70 CGIDHM Cc1cccc(F)c1[N-]S(=O)(=O)Cc1ccccc1F ZINC000160840873 524504355 /nfs/dbraw/zinc/50/43/55/524504355.db2.gz LDJZWWHJUICWJE-UHFFFAOYSA-N -1 3 297.326 3.215 20 70 CGIDHM CCOc1ccc(NC(=O)[N-]OCC(C)C)c(C)c1 ZINC000159383307 372137393 /nfs/dbraw/zinc/13/73/93/372137393.db2.gz YAIRVKSWGOWXDB-UHFFFAOYSA-N -1 3 266.341 3.103 20 70 CGIDHM [O-]C(=NO[C@@H]1CCCCO1)Nc1cc(F)ccc1Cl ZINC000159452415 372144052 /nfs/dbraw/zinc/14/40/52/372144052.db2.gz IDQJKXDAWKUIKB-LLVKDONJSA-N -1 3 288.706 3.059 20 70 CGIDHM O=C([N-]O[C@@H]1CCCCO1)Nc1cc(F)ccc1Cl ZINC000159452415 372144059 /nfs/dbraw/zinc/14/40/59/372144059.db2.gz IDQJKXDAWKUIKB-LLVKDONJSA-N -1 3 288.706 3.059 20 70 CGIDHM CC(C)c1ccc(C(=O)Nc2cc(F)ccc2[O-])cn1 ZINC000160007308 321844888 /nfs/dbraw/zinc/84/48/88/321844888.db2.gz YIKSWUPOJGROMK-UHFFFAOYSA-N -1 3 274.295 3.302 20 70 CGIDHM C[C@@H](NC(=O)Cc1ccc([O-])cc1Cl)C(C)(C)C ZINC000161424744 321867421 /nfs/dbraw/zinc/86/74/21/321867421.db2.gz IHOVQYIDBLOJHI-SECBINFHSA-N -1 3 269.772 3.139 20 70 CGIDHM CC(C)C[C@H]1CCCN(C(=O)c2ccccc2[O-])C1 ZINC000161090649 528587130 /nfs/dbraw/zinc/58/71/30/528587130.db2.gz PLURDVNEWSMHHY-CYBMUJFWSA-N -1 3 261.365 3.291 20 70 CGIDHM C[C@@H]1CC[C@H](NC(=O)NCc2ccc([O-])c(F)c2)[C@H](C)C1 ZINC000159861296 346169112 /nfs/dbraw/zinc/16/91/12/346169112.db2.gz QDSWAGCZGDHZMI-GYSYKLTISA-N -1 3 294.370 3.155 20 70 CGIDHM COCCC1(C(=O)Nc2ccc(C)cc2[O-])CCCC1 ZINC000160400783 372244535 /nfs/dbraw/zinc/24/45/35/372244535.db2.gz MIELGFHWOCEEHR-UHFFFAOYSA-N -1 3 277.364 3.236 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)CCC3CCCC3)[n-]2)o1 ZINC000160400812 525849688 /nfs/dbraw/zinc/84/96/88/525849688.db2.gz FWMLQKNECLGSMJ-UHFFFAOYSA-N -1 3 288.351 3.282 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCC3CCCC3)n2)o1 ZINC000160400812 525849697 /nfs/dbraw/zinc/84/96/97/525849697.db2.gz FWMLQKNECLGSMJ-UHFFFAOYSA-N -1 3 288.351 3.282 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)CCC3CCCC3)n[n-]2)o1 ZINC000160400812 525849706 /nfs/dbraw/zinc/84/97/06/525849706.db2.gz FWMLQKNECLGSMJ-UHFFFAOYSA-N -1 3 288.351 3.282 20 70 CGIDHM Cc1ccc([C@@H](C)C[N-]S(=O)(=O)c2cccs2)cc1 ZINC000159700685 346168367 /nfs/dbraw/zinc/16/83/67/346168367.db2.gz BPYNBDUXACFLSX-LBPRGKRZSA-N -1 3 295.429 3.139 20 70 CGIDHM CCO[N-]C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000159594918 372159712 /nfs/dbraw/zinc/15/97/12/372159712.db2.gz RXVDCZSLBIOQNS-SECBINFHSA-N -1 3 275.270 3.267 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)c3cccc(C)c3C)[n-]2)o1 ZINC000160308539 372235354 /nfs/dbraw/zinc/23/53/54/372235354.db2.gz VCMOCNWOINOYJW-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cccc(C)c3C)n2)o1 ZINC000160308539 372235362 /nfs/dbraw/zinc/23/53/62/372235362.db2.gz VCMOCNWOINOYJW-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)c3cccc(C)c3C)n[n-]2)o1 ZINC000160308539 372235370 /nfs/dbraw/zinc/23/53/70/372235370.db2.gz VCMOCNWOINOYJW-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM CC(C)CON=C([O-])Nc1cc(F)ccc1OC(F)F ZINC000161002295 372294567 /nfs/dbraw/zinc/29/45/67/372294567.db2.gz QBDJBEHYOGXRMB-UHFFFAOYSA-N -1 3 292.257 3.136 20 70 CGIDHM CC(C)CO[N-]C(=O)Nc1cc(F)ccc1OC(F)F ZINC000161002295 372294573 /nfs/dbraw/zinc/29/45/73/372294573.db2.gz QBDJBEHYOGXRMB-UHFFFAOYSA-N -1 3 292.257 3.136 20 70 CGIDHM Cc1cc(F)cc(S(=O)(=O)[N-]c2c(C)cccc2F)c1 ZINC000160830021 372278995 /nfs/dbraw/zinc/27/89/95/372278995.db2.gz BHPNKYLDEZOICQ-UHFFFAOYSA-N -1 3 297.326 3.382 20 70 CGIDHM CSCCc1ccc(NC(=O)[N-]OCC(C)C)cc1 ZINC000159946439 372195680 /nfs/dbraw/zinc/19/56/80/372195680.db2.gz WYNGAOJDOGSXSA-UHFFFAOYSA-N -1 3 282.409 3.301 20 70 CGIDHM CC(C)CON=C([O-])Nc1ccccc1OCC(F)F ZINC000161055602 372299000 /nfs/dbraw/zinc/29/90/00/372299000.db2.gz MITIZIQYVBSHDK-UHFFFAOYSA-N -1 3 288.294 3.040 20 70 CGIDHM CC(C)CO[N-]C(=O)Nc1ccccc1OCC(F)F ZINC000161055602 372299004 /nfs/dbraw/zinc/29/90/04/372299004.db2.gz MITIZIQYVBSHDK-UHFFFAOYSA-N -1 3 288.294 3.040 20 70 CGIDHM Cc1cccc([C@H](C)NCc2nc(C)ccc2[O-])c1 ZINC000160193008 372224560 /nfs/dbraw/zinc/22/45/60/372224560.db2.gz GZEZHZRZIOFHAP-ZDUSSCGKSA-N -1 3 256.349 3.255 20 70 CGIDHM O=C(Nc1ccccc1[O-])C1C2CC3CC(C2)CC1C3 ZINC000217807715 287628466 /nfs/dbraw/zinc/62/84/66/287628466.db2.gz ZZDWXXLRFYJADP-UHFFFAOYSA-N -1 3 271.360 3.403 20 70 CGIDHM CC(C)(C(=O)Nc1ccccc1[O-])c1cccc(F)c1 ZINC000160529212 321853254 /nfs/dbraw/zinc/85/32/54/321853254.db2.gz CWUTZYMEHHDQGQ-UHFFFAOYSA-N -1 3 273.307 3.448 20 70 CGIDHM CCCCCc1nnc([N-]C(=O)c2cccc(F)n2)s1 ZINC000159661795 372166754 /nfs/dbraw/zinc/16/67/54/372166754.db2.gz NSTZZBYVQGJAOJ-UHFFFAOYSA-N -1 3 294.355 3.057 20 70 CGIDHM Cc1cccc(F)c1[N-]S(=O)(=O)c1cccc(F)c1C ZINC000160812564 372276943 /nfs/dbraw/zinc/27/69/43/372276943.db2.gz SIXCPRZBNJYPRB-UHFFFAOYSA-N -1 3 297.326 3.382 20 70 CGIDHM CC(C)Sc1ccccc1[N-]C(=O)c1ccc(CN)o1 ZINC000160347669 542153798 /nfs/dbraw/zinc/15/37/98/542153798.db2.gz KLCUORMLSLINNK-UHFFFAOYSA-N -1 3 290.388 3.491 20 70 CGIDHM COc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)c([O-])c1 ZINC000217566632 270085174 /nfs/dbraw/zinc/08/51/74/270085174.db2.gz GUGXBEYDBMBLAB-QGZVFWFLSA-N -1 3 297.354 3.282 20 70 CGIDHM CC[C@H]1CCC[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000159498516 372148969 /nfs/dbraw/zinc/14/89/69/372148969.db2.gz DJXSCBZMUBNEDG-IINYFYTJSA-N -1 3 281.783 3.283 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)CCC(C)(C)C)[n-]2)o1 ZINC000160208938 372226064 /nfs/dbraw/zinc/22/60/64/372226064.db2.gz PFZDWULIGUZVBI-UHFFFAOYSA-N -1 3 276.340 3.138 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CCC(C)(C)C)n2)o1 ZINC000160208938 372226069 /nfs/dbraw/zinc/22/60/69/372226069.db2.gz PFZDWULIGUZVBI-UHFFFAOYSA-N -1 3 276.340 3.138 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)CCC(C)(C)C)n[n-]2)o1 ZINC000160208938 372226078 /nfs/dbraw/zinc/22/60/78/372226078.db2.gz PFZDWULIGUZVBI-UHFFFAOYSA-N -1 3 276.340 3.138 20 70 CGIDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC(C)CC3)c(=O)c2c1 ZINC000161141590 372303511 /nfs/dbraw/zinc/30/35/11/372303511.db2.gz OMCNMAQUCBJFIL-UHFFFAOYSA-N -1 3 298.386 3.429 20 70 CGIDHM [O-]C(=NO[C@H]1CCCCO1)Nc1cc(F)ccc1Cl ZINC000159452549 372144545 /nfs/dbraw/zinc/14/45/45/372144545.db2.gz IDQJKXDAWKUIKB-NSHDSACASA-N -1 3 288.706 3.059 20 70 CGIDHM O=C([N-]O[C@H]1CCCCO1)Nc1cc(F)ccc1Cl ZINC000159452549 372144547 /nfs/dbraw/zinc/14/45/47/372144547.db2.gz IDQJKXDAWKUIKB-NSHDSACASA-N -1 3 288.706 3.059 20 70 CGIDHM CC(C)(C)c1nsc(NCc2ccc([O-])c(F)c2)n1 ZINC000159576018 372158066 /nfs/dbraw/zinc/15/80/66/372158066.db2.gz XBJDDCNGDULCJI-UHFFFAOYSA-N -1 3 281.356 3.292 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCC[C@H](C)C3)[n-]2)o1 ZINC000160258867 372231452 /nfs/dbraw/zinc/23/14/52/372231452.db2.gz IIVOVBDLPULBPL-GXSJLCMTSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCC[C@H](C)C3)n2)o1 ZINC000160258867 372231456 /nfs/dbraw/zinc/23/14/56/372231456.db2.gz IIVOVBDLPULBPL-GXSJLCMTSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCC[C@H](C)C3)n[n-]2)o1 ZINC000160258867 372231461 /nfs/dbraw/zinc/23/14/61/372231461.db2.gz IIVOVBDLPULBPL-GXSJLCMTSA-N -1 3 288.351 3.138 20 70 CGIDHM CC(C)CO[N-]C(=O)Nc1ccc(OC2CCC2)c(F)c1 ZINC000160785928 372275679 /nfs/dbraw/zinc/27/56/79/372275679.db2.gz IDFNQQSKLIHWHV-UHFFFAOYSA-N -1 3 296.342 3.466 20 70 CGIDHM Cc1ccc([O-])c(CN(C)Cc2ccccc2Cl)n1 ZINC000160816949 372279895 /nfs/dbraw/zinc/27/98/95/372279895.db2.gz DSVNRVRFBNUUGZ-UHFFFAOYSA-N -1 3 276.767 3.381 20 70 CGIDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@H](C)C3)c(=O)c2c1 ZINC000161180379 188512989 /nfs/dbraw/zinc/51/29/89/188512989.db2.gz KJRROUCOZXNZKC-NSHDSACASA-N -1 3 298.386 3.429 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)C[C@@H]3CC[C@H](C)C3)[n-]2)o1 ZINC000160187935 372222779 /nfs/dbraw/zinc/22/27/79/372222779.db2.gz IAKMATABNZKXMP-GXSJLCMTSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@@H]3CC[C@H](C)C3)n2)o1 ZINC000160187935 372222788 /nfs/dbraw/zinc/22/27/88/372222788.db2.gz IAKMATABNZKXMP-GXSJLCMTSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)C[C@@H]3CC[C@H](C)C3)n[n-]2)o1 ZINC000160187935 372222796 /nfs/dbraw/zinc/22/27/96/372222796.db2.gz IAKMATABNZKXMP-GXSJLCMTSA-N -1 3 288.351 3.138 20 70 CGIDHM CC[C@H](OC1CCCCC1)C(=O)Nc1ccccc1[O-] ZINC000160953708 372290968 /nfs/dbraw/zinc/29/09/68/372290968.db2.gz XEPBLRUETZIUDK-HNNXBMFYSA-N -1 3 277.364 3.459 20 70 CGIDHM Cc1ccc(C(=O)N2CC=C(C(F)(F)F)CC2)c([O-])c1 ZINC000160600871 372261286 /nfs/dbraw/zinc/26/12/86/372261286.db2.gz PWCOURYLTABZCV-UHFFFAOYSA-N -1 3 285.265 3.035 20 70 CGIDHM O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccccc1[O-] ZINC000160852128 372281367 /nfs/dbraw/zinc/28/13/67/372281367.db2.gz XUBVCYOTPANCLD-ZDUSSCGKSA-N -1 3 289.375 3.004 20 70 CGIDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCCCC3)c(=O)c2c1 ZINC000161128509 291838386 /nfs/dbraw/zinc/83/83/86/291838386.db2.gz AGKOVDGNAAEPJQ-UHFFFAOYSA-N -1 3 284.359 3.183 20 70 CGIDHM COc1cc(NC(=O)c2ccc(C)cc2[O-])ccc1F ZINC000160408554 232245183 /nfs/dbraw/zinc/24/51/83/232245183.db2.gz ZJMOWEJMNTXUTD-UHFFFAOYSA-N -1 3 275.279 3.101 20 70 CGIDHM Cc1ccc(C(=O)NCc2nc(C(C)C)cs2)c([O-])c1 ZINC000160579955 232245099 /nfs/dbraw/zinc/24/50/99/232245099.db2.gz ZKVGGQMZEPMFNR-UHFFFAOYSA-N -1 3 290.388 3.211 20 70 CGIDHM COc1ccc([O-])c(C(=O)N2CCC[C@H](CC(C)C)C2)c1 ZINC000161052062 372298090 /nfs/dbraw/zinc/29/80/90/372298090.db2.gz FCVCOCKRSAFIMU-CYBMUJFWSA-N -1 3 291.391 3.299 20 70 CGIDHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccc(Cl)cc2)n1 ZINC000160541895 372255722 /nfs/dbraw/zinc/25/57/22/372255722.db2.gz IRGWRTSRMRPDDB-SNVBAGLBSA-N -1 3 291.782 3.249 20 70 CGIDHM CCCCC[C@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000161367651 372319356 /nfs/dbraw/zinc/31/93/56/372319356.db2.gz PKJSOIGOLYZHIU-NSHDSACASA-N -1 3 295.379 3.108 20 70 CGIDHM CC(C)(C(=O)Nc1ccccc1[O-])c1ccc(F)cc1 ZINC000160530891 321852808 /nfs/dbraw/zinc/85/28/08/321852808.db2.gz UFUPFHJKFSFJBI-UHFFFAOYSA-N -1 3 273.307 3.448 20 70 CGIDHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccc(Cl)cc2)n1 ZINC000160541768 321853416 /nfs/dbraw/zinc/85/34/16/321853416.db2.gz IRGWRTSRMRPDDB-JTQLQIEISA-N -1 3 291.782 3.249 20 70 CGIDHM CCN(C(=O)Cc1ccc([O-])cc1Cl)C1CCCC1 ZINC000159569013 372155899 /nfs/dbraw/zinc/15/58/99/372155899.db2.gz LNBWIAVYBAXTGT-UHFFFAOYSA-N -1 3 281.783 3.379 20 70 CGIDHM CCc1oc(C(=O)[N-]c2nnc(C(C)C)s2)cc1C ZINC000160045874 372207037 /nfs/dbraw/zinc/20/70/37/372207037.db2.gz CHTJCCPDGAXBLS-UHFFFAOYSA-N -1 3 279.365 3.378 20 70 CGIDHM O=C(N[C@@H](c1ccccc1)C1CC1)c1ccccc1[O-] ZINC000217565699 270085177 /nfs/dbraw/zinc/08/51/77/270085177.db2.gz KLGIXTXVBKORCT-INIZCTEOSA-N -1 3 267.328 3.273 20 70 CGIDHM O=C(COC/C=C/c1ccccc1)Nc1ccccc1[O-] ZINC000159575351 321836820 /nfs/dbraw/zinc/83/68/20/321836820.db2.gz YDMWIPGXYOWZRE-RMKNXTFCSA-N -1 3 283.327 3.061 20 70 CGIDHM Cc1ccc(NC(=O)[N-]OCC(C)C)cc1OC(F)F ZINC000160337524 372239804 /nfs/dbraw/zinc/23/98/04/372239804.db2.gz HHJYYXTYAWGUDT-UHFFFAOYSA-N -1 3 288.294 3.306 20 70 CGIDHM CCCn1c(=O)[n-]nc1SCC(=O)CCC1CCCC1 ZINC000159950450 372197979 /nfs/dbraw/zinc/19/79/79/372197979.db2.gz JDRDDGRJRXPWKA-UHFFFAOYSA-N -1 3 297.424 3.025 20 70 CGIDHM CCCN(Cc1ccccc1)Cc1nc(CC)cc(=O)[n-]1 ZINC000160520368 372254060 /nfs/dbraw/zinc/25/40/60/372254060.db2.gz GHPIIXCWPFKHGN-UHFFFAOYSA-N -1 3 285.391 3.157 20 70 CGIDHM CCc1cc(=O)[n-]c(CN(C)Cc2cccc(Cl)c2)n1 ZINC000160531561 372255477 /nfs/dbraw/zinc/25/54/77/372255477.db2.gz QFUZLJYIBJSJNU-UHFFFAOYSA-N -1 3 291.782 3.030 20 70 CGIDHM CCc1ccc(C(=O)Nc2nnc(-c3ccc(C)o3)[n-]2)cc1 ZINC000160434788 523897044 /nfs/dbraw/zinc/89/70/44/523897044.db2.gz SAMOIQAJGIPICY-UHFFFAOYSA-N -1 3 296.330 3.188 20 70 CGIDHM CCc1ccc(C(=O)Nc2nc(-c3ccc(C)o3)n[n-]2)cc1 ZINC000160434788 523897048 /nfs/dbraw/zinc/89/70/48/523897048.db2.gz SAMOIQAJGIPICY-UHFFFAOYSA-N -1 3 296.330 3.188 20 70 CGIDHM CCc1ccc(C(=O)Nc2n[n-]c(-c3ccc(C)o3)n2)cc1 ZINC000160434788 523897054 /nfs/dbraw/zinc/89/70/54/523897054.db2.gz SAMOIQAJGIPICY-UHFFFAOYSA-N -1 3 296.330 3.188 20 70 CGIDHM COc1ccc([O-])c(C(=O)N[C@H](c2ccccc2)C2CC2)c1 ZINC000217566895 572394661 /nfs/dbraw/zinc/39/46/61/572394661.db2.gz BAQXLBDKRCMBEQ-QGZVFWFLSA-N -1 3 297.354 3.282 20 70 CGIDHM COc1ccc(N(C)C(=O)c2cc(C)ccc2[O-])cc1F ZINC000159478903 346167999 /nfs/dbraw/zinc/16/79/99/346167999.db2.gz MYLCCFRDDSQMRT-UHFFFAOYSA-N -1 3 289.306 3.125 20 70 CGIDHM O=C(Nc1ccc([O-])cc1F)C1CCC(F)(F)CC1 ZINC000160982642 527238082 /nfs/dbraw/zinc/23/80/82/527238082.db2.gz ZBOPSDUXRJYPJO-UHFFFAOYSA-N -1 3 273.254 3.295 20 70 CGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccccc2)n1 ZINC000160633592 529566085 /nfs/dbraw/zinc/56/60/85/529566085.db2.gz XNZINYRZSAFGQW-OAHLLOKOSA-N -1 3 283.375 3.082 20 70 CGIDHM CCc1cc(=O)[n-]c(CN[C@@H](c2ccccc2)C(C)C)n1 ZINC000160586304 372261117 /nfs/dbraw/zinc/26/11/17/372261117.db2.gz WCPJKCXBTFCFLI-QGZVFWFLSA-N -1 3 285.391 3.232 20 70 CGIDHM O=C(Nc1ncccc1[O-])C1(c2ccccc2)CCCC1 ZINC000218560128 392997321 /nfs/dbraw/zinc/99/73/21/392997321.db2.gz NUGMQALILANKKI-UHFFFAOYSA-N -1 3 282.343 3.238 20 70 CGIDHM CCN(CC)C(=O)c1c[n-]c2c(C)cc(C)cc2c1=O ZINC000161180760 520564126 /nfs/dbraw/zinc/56/41/26/520564126.db2.gz MHEPCCHFSARRCK-UHFFFAOYSA-N -1 3 272.348 3.039 20 70 CGIDHM Cc1cccc(F)c1[N-]S(=O)(=O)Cc1ccccc1 ZINC000160815401 524504502 /nfs/dbraw/zinc/50/45/02/524504502.db2.gz KPLAOGNFQMGURC-UHFFFAOYSA-N -1 3 279.336 3.076 20 70 CGIDHM CC(C)(C)SCCCC(=O)NCc1ccc([O-])c(F)c1 ZINC000160733090 188488366 /nfs/dbraw/zinc/48/83/66/188488366.db2.gz WVCOJGZASDIGJY-UHFFFAOYSA-N -1 3 299.411 3.459 20 70 CGIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccccc2Cl)n1 ZINC000160526173 372253227 /nfs/dbraw/zinc/25/32/27/372253227.db2.gz RTMCDGORCIGVKY-UHFFFAOYSA-N -1 3 291.782 3.030 20 70 CGIDHM CCCC(=O)[N-]OCc1ccc(C(F)(F)F)cc1 ZINC000160699167 372269798 /nfs/dbraw/zinc/26/97/98/372269798.db2.gz IIOMKRSKTPZRIV-UHFFFAOYSA-N -1 3 261.243 3.053 20 70 CGIDHM Cc1ccc([O-])c(CN(C)Cc2ccc(Cl)cc2)n1 ZINC000160806899 372277985 /nfs/dbraw/zinc/27/79/85/372277985.db2.gz HVJGDTOJFRJUQB-UHFFFAOYSA-N -1 3 276.767 3.381 20 70 CGIDHM CC(C)CON=C([O-])Nc1cc(F)ccc1OC(C)C ZINC000159921618 372194532 /nfs/dbraw/zinc/19/45/32/372194532.db2.gz XBNHGRGNXISHLB-UHFFFAOYSA-N -1 3 284.331 3.322 20 70 CGIDHM CC(C)CO[N-]C(=O)Nc1cc(F)ccc1OC(C)C ZINC000159921618 372194537 /nfs/dbraw/zinc/19/45/37/372194537.db2.gz XBNHGRGNXISHLB-UHFFFAOYSA-N -1 3 284.331 3.322 20 70 CGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@@H]2c2ccsc2)n1 ZINC000160855154 372281458 /nfs/dbraw/zinc/28/14/58/372281458.db2.gz PHDOWHIIZDSNBB-CYBMUJFWSA-N -1 3 289.404 3.143 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)[C@H]3CCC[C@@H](C)C3)[n-]2)o1 ZINC000160259258 392582167 /nfs/dbraw/zinc/58/21/67/392582167.db2.gz IIVOVBDLPULBPL-KOLCDFICSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@H]3CCC[C@@H](C)C3)n2)o1 ZINC000160259258 392582174 /nfs/dbraw/zinc/58/21/74/392582174.db2.gz IIVOVBDLPULBPL-KOLCDFICSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)[C@H]3CCC[C@@H](C)C3)n[n-]2)o1 ZINC000160259258 392582180 /nfs/dbraw/zinc/58/21/80/392582180.db2.gz IIVOVBDLPULBPL-KOLCDFICSA-N -1 3 288.351 3.138 20 70 CGIDHM CC(C)CO[N-]C(=O)Nc1ccc2nc(C3CC3)oc2c1 ZINC000160829980 372279658 /nfs/dbraw/zinc/27/96/58/372279658.db2.gz ZZMZKIVWFKQUHP-UHFFFAOYSA-N -1 3 289.335 3.414 20 70 CGIDHM CCc1cc(=O)[n-]c(CN(C)[C@H](C)c2ccccc2F)n1 ZINC000160902920 372287685 /nfs/dbraw/zinc/28/76/85/372287685.db2.gz ZGOHYZYUAUQOAP-LLVKDONJSA-N -1 3 289.354 3.077 20 70 CGIDHM COc1ccc(C(=O)NC2(c3ccccc3)CCC2)c([O-])c1 ZINC000218423933 270085547 /nfs/dbraw/zinc/08/55/47/270085547.db2.gz UPEBUPCRWPWUHO-UHFFFAOYSA-N -1 3 297.354 3.210 20 70 CGIDHM COc1cccc(C(=O)N2CCC[C@H](CC(C)C)C2)c1[O-] ZINC000161104023 372302015 /nfs/dbraw/zinc/30/20/15/372302015.db2.gz VEFYYKJZUWSILK-CYBMUJFWSA-N -1 3 291.391 3.299 20 70 CGIDHM CCCCC[C@@H](C)NC(=O)c1cc(OC)c([O-])c(OC)c1 ZINC000161367529 372320458 /nfs/dbraw/zinc/32/04/58/372320458.db2.gz PKJSOIGOLYZHIU-LLVKDONJSA-N -1 3 295.379 3.108 20 70 CGIDHM COc1ccc([O-])c(C(=O)Nc2cnc3ccccc3c2)c1 ZINC000218463014 270085493 /nfs/dbraw/zinc/08/54/93/270085493.db2.gz SYSQMLNZBJNENE-UHFFFAOYSA-N -1 3 294.310 3.201 20 70 CGIDHM CCC(CC)CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160348204 372241106 /nfs/dbraw/zinc/24/11/06/372241106.db2.gz NMRQLOFMAZKVKT-UHFFFAOYSA-N -1 3 276.340 3.138 20 70 CGIDHM CCC(CC)CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160348204 372241109 /nfs/dbraw/zinc/24/11/09/372241109.db2.gz NMRQLOFMAZKVKT-UHFFFAOYSA-N -1 3 276.340 3.138 20 70 CGIDHM CCC(CC)CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160348204 372241113 /nfs/dbraw/zinc/24/11/13/372241113.db2.gz NMRQLOFMAZKVKT-UHFFFAOYSA-N -1 3 276.340 3.138 20 70 CGIDHM Cc1ccc([O-])c(C(=O)N2CCC(OC(C)(C)C)CC2)c1 ZINC000160957327 372290243 /nfs/dbraw/zinc/29/02/43/372290243.db2.gz ZQPRIODEZLVREU-UHFFFAOYSA-N -1 3 291.391 3.120 20 70 CGIDHM O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccccc1[O-] ZINC000160851976 372280980 /nfs/dbraw/zinc/28/09/80/372280980.db2.gz XUBVCYOTPANCLD-CYBMUJFWSA-N -1 3 289.375 3.004 20 70 CGIDHM Cc1cc(C)c2[n-]cc(C(=O)N3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000161180500 372307516 /nfs/dbraw/zinc/30/75/16/372307516.db2.gz KJRROUCOZXNZKC-LLVKDONJSA-N -1 3 298.386 3.429 20 70 CGIDHM O=C(NCc1ccc([O-])c(F)c1)c1cccc(Cl)c1F ZINC000159804125 165472831 /nfs/dbraw/zinc/47/28/31/165472831.db2.gz AMOSLNGAAYZTLJ-UHFFFAOYSA-N -1 3 297.688 3.254 20 70 CGIDHM COc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)c([O-])c1 ZINC000217566546 270085130 /nfs/dbraw/zinc/08/51/30/270085130.db2.gz GUGXBEYDBMBLAB-KRWDZBQOSA-N -1 3 297.354 3.282 20 70 CGIDHM CC(C)CON=C([O-])Nc1ccc(F)cc1OC(F)F ZINC000160592460 372261438 /nfs/dbraw/zinc/26/14/38/372261438.db2.gz ZKPIKOZLNKPNLD-UHFFFAOYSA-N -1 3 292.257 3.136 20 70 CGIDHM CC(C)CO[N-]C(=O)Nc1ccc(F)cc1OC(F)F ZINC000160592460 372261440 /nfs/dbraw/zinc/26/14/40/372261440.db2.gz ZKPIKOZLNKPNLD-UHFFFAOYSA-N -1 3 292.257 3.136 20 70 CGIDHM C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)[N-]OCc2cccnc2)o1 ZINC000160774299 372274771 /nfs/dbraw/zinc/27/47/71/372274771.db2.gz COIBKPBVCAPCNT-QKOWSDGPSA-N -1 3 298.342 3.059 20 70 CGIDHM COc1cc(NC(=O)c2cccc(C)c2[O-])ccc1F ZINC000160408268 295001214 /nfs/dbraw/zinc/00/12/14/295001214.db2.gz ZENXVLHEQVHGCR-UHFFFAOYSA-N -1 3 275.279 3.101 20 70 CGIDHM O=C(Nc1cc(F)ccc1[O-])c1ccn(C2CCCC2)n1 ZINC000159875528 321842579 /nfs/dbraw/zinc/84/25/79/321842579.db2.gz NWPBYOCOFBOXCI-UHFFFAOYSA-N -1 3 289.310 3.095 20 70 CGIDHM CCCC1(CNC(=O)Cc2ccc([O-])cc2Cl)CC1 ZINC000161346287 519889564 /nfs/dbraw/zinc/88/95/64/519889564.db2.gz FQUAXQYTTGUWKP-UHFFFAOYSA-N -1 3 281.783 3.285 20 70 CGIDHM COc1ccc(C(=O)N2CC=C(C(C)(C)C)CC2)c([O-])c1 ZINC000160991119 188502246 /nfs/dbraw/zinc/50/22/46/188502246.db2.gz AVOHXSYJEGAHTG-UHFFFAOYSA-N -1 3 289.375 3.219 20 70 CGIDHM Cc1ccc(CN(C)Cc2nc(C)ccc2[O-])cc1 ZINC000160635537 372264897 /nfs/dbraw/zinc/26/48/97/372264897.db2.gz OVECEHJYGQHVIS-UHFFFAOYSA-N -1 3 256.349 3.036 20 70 CGIDHM O=C(CCC1CCCCC1)[N-]OCc1nccs1 ZINC000161327563 372318720 /nfs/dbraw/zinc/31/87/20/372318720.db2.gz ZGJXENWHSVDFFS-UHFFFAOYSA-N -1 3 268.382 3.051 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)C[C@H]3CC[C@H](C)C3)[n-]2)o1 ZINC000160188095 372222201 /nfs/dbraw/zinc/22/22/01/372222201.db2.gz IAKMATABNZKXMP-ONGXEEELSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H]3CC[C@H](C)C3)n2)o1 ZINC000160188095 372222208 /nfs/dbraw/zinc/22/22/08/372222208.db2.gz IAKMATABNZKXMP-ONGXEEELSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)C[C@H]3CC[C@H](C)C3)n[n-]2)o1 ZINC000160188095 372222213 /nfs/dbraw/zinc/22/22/13/372222213.db2.gz IAKMATABNZKXMP-ONGXEEELSA-N -1 3 288.351 3.138 20 70 CGIDHM CCc1cc(=O)[n-]c(CN(CC)Cc2ccccc2C)n1 ZINC000160810326 372277316 /nfs/dbraw/zinc/27/73/16/372277316.db2.gz DWBBUNSZZPDPHG-UHFFFAOYSA-N -1 3 285.391 3.075 20 70 CGIDHM COC(=O)c1ccc(C)c(NC(=O)c2cccc(C)c2[O-])c1 ZINC000218332506 376186644 /nfs/dbraw/zinc/18/66/44/376186644.db2.gz AQZBEKRZLMOQJW-UHFFFAOYSA-N -1 3 299.326 3.048 20 70 CGIDHM CC[C@@H]1CCC[C@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000159498387 372149376 /nfs/dbraw/zinc/14/93/76/372149376.db2.gz DJXSCBZMUBNEDG-QMTHXVAHSA-N -1 3 281.783 3.283 20 70 CGIDHM COc1cccc(C(=O)N2CC=C(C(C)(C)C)CC2)c1[O-] ZINC000160989442 372293169 /nfs/dbraw/zinc/29/31/69/372293169.db2.gz SUPSHEGUFBUVHI-UHFFFAOYSA-N -1 3 289.375 3.219 20 70 CGIDHM O=C(/C=C/c1cc2ccccc2o1)[N-]OCc1cccnc1 ZINC000160752778 372273593 /nfs/dbraw/zinc/27/35/93/372273593.db2.gz ORINZDKPTJBDNF-BQYQJAHWSA-N -1 3 294.310 3.089 20 70 CGIDHM Cc1cccc(C(=O)NCCC2=CCCCC2)c1[O-] ZINC000218155948 270085518 /nfs/dbraw/zinc/08/55/18/270085518.db2.gz MPGIKCXMOXBNJO-UHFFFAOYSA-N -1 3 259.349 3.321 20 70 CGIDHM Cc1ccccc1CS(=O)(=O)[N-]c1c(C)cccc1F ZINC000160830536 321858373 /nfs/dbraw/zinc/85/83/73/321858373.db2.gz OISXNWJJOXAYEL-UHFFFAOYSA-N -1 3 293.363 3.384 20 70 CGIDHM CCC[C@H](C)CC(=O)Nc1nnc(-c2ccc(C)o2)[n-]1 ZINC000160389585 521017833 /nfs/dbraw/zinc/01/78/33/521017833.db2.gz BXFJTSLWQZZBER-VIFPVBQESA-N -1 3 276.340 3.138 20 70 CGIDHM CCC[C@H](C)CC(=O)Nc1nc(-c2ccc(C)o2)n[n-]1 ZINC000160389585 521017844 /nfs/dbraw/zinc/01/78/44/521017844.db2.gz BXFJTSLWQZZBER-VIFPVBQESA-N -1 3 276.340 3.138 20 70 CGIDHM CCC[C@H](C)CC(=O)Nc1n[n-]c(-c2ccc(C)o2)n1 ZINC000160389585 521017852 /nfs/dbraw/zinc/01/78/52/521017852.db2.gz BXFJTSLWQZZBER-VIFPVBQESA-N -1 3 276.340 3.138 20 70 CGIDHM CC[C@@H]1CCC[C@@H]1NC(=O)Cc1ccc([O-])cc1Cl ZINC000159498096 372148685 /nfs/dbraw/zinc/14/86/85/372148685.db2.gz DJXSCBZMUBNEDG-YGRLFVJLSA-N -1 3 281.783 3.283 20 70 CGIDHM Cc1c(C(=O)Nc2ccc(C)cc2[O-])cnn1CC(C)C ZINC000160149606 372218321 /nfs/dbraw/zinc/21/83/21/372218321.db2.gz RWWWQXNFTKAKQD-UHFFFAOYSA-N -1 3 287.363 3.114 20 70 CGIDHM CC(C)Cc1ccc(CC(=O)[N-]OCc2cccnc2)cc1 ZINC000160721953 372271696 /nfs/dbraw/zinc/27/16/96/372271696.db2.gz GWQADZUVSJZGHM-UHFFFAOYSA-N -1 3 298.386 3.071 20 70 CGIDHM Cc1cc(Cl)cc(C(=O)Nc2ncccc2[O-])c1 ZINC000159562089 372156100 /nfs/dbraw/zinc/15/61/00/372156100.db2.gz XUGRSDSLTMROTK-UHFFFAOYSA-N -1 3 262.696 3.001 20 70 CGIDHM CC(C)CO[N-]C(=O)Nc1cccc(COCC2CC2)c1 ZINC000159604512 372161311 /nfs/dbraw/zinc/16/13/11/372161311.db2.gz TUXRDWXOAWLOQE-UHFFFAOYSA-N -1 3 292.379 3.322 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)C[C@H]3CC[C@@H](C)C3)[n-]2)o1 ZINC000160188330 372224479 /nfs/dbraw/zinc/22/44/79/372224479.db2.gz IAKMATABNZKXMP-KOLCDFICSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)C[C@H]3CC[C@@H](C)C3)n2)o1 ZINC000160188330 372224485 /nfs/dbraw/zinc/22/44/85/372224485.db2.gz IAKMATABNZKXMP-KOLCDFICSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)C[C@H]3CC[C@@H](C)C3)n[n-]2)o1 ZINC000160188330 372224490 /nfs/dbraw/zinc/22/44/90/372224490.db2.gz IAKMATABNZKXMP-KOLCDFICSA-N -1 3 288.351 3.138 20 70 CGIDHM CCO[N-]C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000159595069 372159659 /nfs/dbraw/zinc/15/96/59/372159659.db2.gz RXVDCZSLBIOQNS-VIFPVBQESA-N -1 3 275.270 3.267 20 70 CGIDHM CCc1cc(=O)[n-]c(CN(C)[C@@H](C)c2ccc(C)cc2)n1 ZINC000160871122 372282769 /nfs/dbraw/zinc/28/27/69/372282769.db2.gz DXQJCKNUQMOVAX-ZDUSSCGKSA-N -1 3 285.391 3.246 20 70 CGIDHM COc1ccc(C(=O)N2CCC[C@H](CC(C)C)C2)c([O-])c1 ZINC000161192287 533298647 /nfs/dbraw/zinc/29/86/47/533298647.db2.gz FGINJXUDLKRDFB-CYBMUJFWSA-N -1 3 291.391 3.299 20 70 CGIDHM Cc1ccsc1CCCC(=O)Nc1ccncc1[O-] ZINC000161503405 525831677 /nfs/dbraw/zinc/83/16/77/525831677.db2.gz IYWGNWOVZNKNKB-UHFFFAOYSA-N -1 3 276.361 3.119 20 70 CGIDHM Cc1nc(NC(=O)Cc2ccc([O-])cc2Cl)sc1C ZINC000161078189 526979440 /nfs/dbraw/zinc/97/94/40/526979440.db2.gz SILRPPDZOVDHDW-UHFFFAOYSA-N -1 3 296.779 3.300 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)CC3CCCCC3)[n-]2)o1 ZINC000160311639 372237533 /nfs/dbraw/zinc/23/75/33/372237533.db2.gz LTFSPHURXLCHJR-UHFFFAOYSA-N -1 3 288.351 3.282 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC3CCCCC3)n2)o1 ZINC000160311639 372237541 /nfs/dbraw/zinc/23/75/41/372237541.db2.gz LTFSPHURXLCHJR-UHFFFAOYSA-N -1 3 288.351 3.282 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)CC3CCCCC3)n[n-]2)o1 ZINC000160311639 372237549 /nfs/dbraw/zinc/23/75/49/372237549.db2.gz LTFSPHURXLCHJR-UHFFFAOYSA-N -1 3 288.351 3.282 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)CC3=CCCCC3)[n-]2)o1 ZINC000160408035 525847875 /nfs/dbraw/zinc/84/78/75/525847875.db2.gz LFFQJKACAATNNK-UHFFFAOYSA-N -1 3 286.335 3.202 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)CC3=CCCCC3)n2)o1 ZINC000160408035 525847886 /nfs/dbraw/zinc/84/78/86/525847886.db2.gz LFFQJKACAATNNK-UHFFFAOYSA-N -1 3 286.335 3.202 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)CC3=CCCCC3)n[n-]2)o1 ZINC000160408035 525847894 /nfs/dbraw/zinc/84/78/94/525847894.db2.gz LFFQJKACAATNNK-UHFFFAOYSA-N -1 3 286.335 3.202 20 70 CGIDHM CCc1nc2cc(NC(=O)[N-]OCC(C)C)ccc2o1 ZINC000160380184 372243093 /nfs/dbraw/zinc/24/30/93/372243093.db2.gz HKUDCONOSVPVSD-UHFFFAOYSA-N -1 3 277.324 3.099 20 70 CGIDHM C[C@H]([N-]C(=O)C(F)F)c1cccc(C(F)(F)F)c1 ZINC000217636938 376178068 /nfs/dbraw/zinc/17/80/68/376178068.db2.gz FEIDVESWXKFSHF-LURJTMIESA-N -1 3 267.197 3.148 20 70 CGIDHM CCCc1nnc([N-]C(=O)c2cc(F)c(C)cc2F)s1 ZINC000159837375 542151541 /nfs/dbraw/zinc/15/15/41/542151541.db2.gz NBPRHDYNWUZGLW-UHFFFAOYSA-N -1 3 297.330 3.330 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)C3CCCCCC3)[n-]2)o1 ZINC000160211616 372226719 /nfs/dbraw/zinc/22/67/19/372226719.db2.gz FUGBLPLXQVMFTJ-UHFFFAOYSA-N -1 3 288.351 3.282 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)C3CCCCCC3)n2)o1 ZINC000160211616 372226724 /nfs/dbraw/zinc/22/67/24/372226724.db2.gz FUGBLPLXQVMFTJ-UHFFFAOYSA-N -1 3 288.351 3.282 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)C3CCCCCC3)n[n-]2)o1 ZINC000160211616 372226730 /nfs/dbraw/zinc/22/67/30/372226730.db2.gz FUGBLPLXQVMFTJ-UHFFFAOYSA-N -1 3 288.351 3.282 20 70 CGIDHM [O-]c1ccccc1-c1nc(CSc2ccncc2)no1 ZINC000159938910 372196348 /nfs/dbraw/zinc/19/63/48/372196348.db2.gz ISLFWVTTYSXALQ-UHFFFAOYSA-N -1 3 285.328 3.130 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)cc(C)c3)[n-]2)o1 ZINC000160345217 525851118 /nfs/dbraw/zinc/85/11/18/525851118.db2.gz PCIDZFNHMONMAO-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)cc(C)c3)n2)o1 ZINC000160345217 525851124 /nfs/dbraw/zinc/85/11/24/525851124.db2.gz PCIDZFNHMONMAO-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)cc(C)c3)n[n-]2)o1 ZINC000160345217 525851130 /nfs/dbraw/zinc/85/11/30/525851130.db2.gz PCIDZFNHMONMAO-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCC[C@@H](C)C3)[n-]2)o1 ZINC000160259135 372231245 /nfs/dbraw/zinc/23/12/45/372231245.db2.gz IIVOVBDLPULBPL-MWLCHTKSSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)[C@@H]3CCC[C@@H](C)C3)n2)o1 ZINC000160259135 372231249 /nfs/dbraw/zinc/23/12/49/372231249.db2.gz IIVOVBDLPULBPL-MWLCHTKSSA-N -1 3 288.351 3.138 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)[C@@H]3CCC[C@@H](C)C3)n[n-]2)o1 ZINC000160259135 372231252 /nfs/dbraw/zinc/23/12/52/372231252.db2.gz IIVOVBDLPULBPL-MWLCHTKSSA-N -1 3 288.351 3.138 20 70 CGIDHM CCCCc1ccc(CC(=O)[N-]OCc2cccnc2)cc1 ZINC000160750860 372273790 /nfs/dbraw/zinc/27/37/90/372273790.db2.gz PKGTVASZJKXCAG-UHFFFAOYSA-N -1 3 298.386 3.215 20 70 CGIDHM COc1ccc(OC(C)C)c(NC([O-])=NOCC(C)C)c1 ZINC000160132969 534216788 /nfs/dbraw/zinc/21/67/88/534216788.db2.gz NNZJKPNXAQIPKI-UHFFFAOYSA-N -1 3 296.367 3.192 20 70 CGIDHM COc1ccc(OC(C)C)c(NC(=O)[N-]OCC(C)C)c1 ZINC000160132969 534216792 /nfs/dbraw/zinc/21/67/92/534216792.db2.gz NNZJKPNXAQIPKI-UHFFFAOYSA-N -1 3 296.367 3.192 20 70 CGIDHM CC(C)(C(=O)Nc1ccccc1[O-])c1ccccc1F ZINC000160530049 372255984 /nfs/dbraw/zinc/25/59/84/372255984.db2.gz PDUFUTORSMFIHP-UHFFFAOYSA-N -1 3 273.307 3.448 20 70 CGIDHM CCc1cc(=O)[n-]c(CN[C@@H](C)c2ccccc2Cl)n1 ZINC000160539169 372256409 /nfs/dbraw/zinc/25/64/09/372256409.db2.gz QHQNZXGFWYRHKA-JTQLQIEISA-N -1 3 291.782 3.249 20 70 CGIDHM CCc1cc(=O)[n-]c(CN[C@H](C)c2ccccc2Cl)n1 ZINC000160539286 372256679 /nfs/dbraw/zinc/25/66/79/372256679.db2.gz QHQNZXGFWYRHKA-SNVBAGLBSA-N -1 3 291.782 3.249 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3C)[n-]2)o1 ZINC000160420742 525852707 /nfs/dbraw/zinc/85/27/07/525852707.db2.gz HRXVGKYDWXXFQW-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3ccc(C)cc3C)n2)o1 ZINC000160420742 525852714 /nfs/dbraw/zinc/85/27/14/525852714.db2.gz HRXVGKYDWXXFQW-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)c3ccc(C)cc3C)n[n-]2)o1 ZINC000160420742 525852726 /nfs/dbraw/zinc/85/27/26/525852726.db2.gz HRXVGKYDWXXFQW-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM CCc1cc(=O)[n-]c(CN(C)Cc2ccc(Cl)s2)n1 ZINC000160552461 372258243 /nfs/dbraw/zinc/25/82/43/372258243.db2.gz PDZNVOLQHPKXOH-UHFFFAOYSA-N -1 3 297.811 3.092 20 70 CGIDHM Cc1cc(Cl)cc(C(=O)NCc2ccc([O-])c(F)c2)c1 ZINC000159803455 372180974 /nfs/dbraw/zinc/18/09/74/372180974.db2.gz GSHAPBRVPSFVGP-UHFFFAOYSA-N -1 3 293.725 3.423 20 70 CGIDHM CC(C)CON=C([O-])Nc1ccc(OC(C)C)cc1F ZINC000159727359 372174182 /nfs/dbraw/zinc/17/41/82/372174182.db2.gz MXEBBWICPBYJPO-UHFFFAOYSA-N -1 3 284.331 3.322 20 70 CGIDHM CC(C)CO[N-]C(=O)Nc1ccc(OC(C)C)cc1F ZINC000159727359 372174187 /nfs/dbraw/zinc/17/41/87/372174187.db2.gz MXEBBWICPBYJPO-UHFFFAOYSA-N -1 3 284.331 3.322 20 70 CGIDHM Cc1ccc(-c2nnc(NC(=O)c3cc(C)ccc3C)[n-]2)o1 ZINC000160224467 372227827 /nfs/dbraw/zinc/22/78/27/372227827.db2.gz WQDPMTPUCUGDOE-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM Cc1ccc(-c2n[n-]c(NC(=O)c3cc(C)ccc3C)n2)o1 ZINC000160224467 372227836 /nfs/dbraw/zinc/22/78/36/372227836.db2.gz WQDPMTPUCUGDOE-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM Cc1ccc(-c2nc(NC(=O)c3cc(C)ccc3C)n[n-]2)o1 ZINC000160224467 372227844 /nfs/dbraw/zinc/22/78/44/372227844.db2.gz WQDPMTPUCUGDOE-UHFFFAOYSA-N -1 3 296.330 3.242 20 70 CGIDHM CCc1cc(=O)[n-]c(CN(Cc2ccccc2)C(C)C)n1 ZINC000160605877 372261402 /nfs/dbraw/zinc/26/14/02/372261402.db2.gz RKSIUSGSLLHAKM-UHFFFAOYSA-N -1 3 285.391 3.155 20 70 CGIDHM COc1ccc(C(=O)N2CCC[C@@H](CC(C)C)C2)c([O-])c1 ZINC000161192202 533296017 /nfs/dbraw/zinc/29/60/17/533296017.db2.gz FGINJXUDLKRDFB-ZDUSSCGKSA-N -1 3 291.391 3.299 20 70 CGIDHM CCc1cc(=O)[n-]c(CN2CCC[C@H]2c2ccccc2)n1 ZINC000160633713 529566325 /nfs/dbraw/zinc/56/63/25/529566325.db2.gz XNZINYRZSAFGQW-HNNXBMFYSA-N -1 3 283.375 3.082 20 70 CGIDHM CSCc1ccc(NC(=O)[N-]OCC(C)C)cc1 ZINC000159939728 372196102 /nfs/dbraw/zinc/19/61/02/372196102.db2.gz XDBZCXUWEBVHBM-UHFFFAOYSA-N 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MYNKTWOPSPAZJR-UHFFFAOYSA-N -1 3 285.775 3.115 20 70 CGIDHM COc1ccc([O-])c(C(=O)N2CC=C(C(C)(C)C)CC2)c1 ZINC000160991660 372292810 /nfs/dbraw/zinc/29/28/10/372292810.db2.gz CTGSOUHUMHDONL-UHFFFAOYSA-N -1 3 289.375 3.219 20 70 CGIDHM COCc1ccc(C(=O)[N-]c2ccccc2SC)o1 ZINC000159855269 321842006 /nfs/dbraw/zinc/84/20/06/321842006.db2.gz RYFZPCZIFKCIGR-UHFFFAOYSA-N -1 3 277.345 3.400 20 70 CGIDHM Cc1nc(CC(C)C)c(NC([O-])=NOCC(C)C)s1 ZINC000161029795 372297165 /nfs/dbraw/zinc/29/71/65/372297165.db2.gz FXYVFCKWGRGUJG-UHFFFAOYSA-N -1 3 285.413 3.359 20 70 CGIDHM Cc1nc(CC(C)C)c(NC(=O)[N-]OCC(C)C)s1 ZINC000161029795 372297176 /nfs/dbraw/zinc/29/71/76/372297176.db2.gz FXYVFCKWGRGUJG-UHFFFAOYSA-N -1 3 285.413 3.359 20 70 CGIDHM