smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCn1nc(C(=O)N(C)c2ccc(OC)c(F)c2)ccc1=O ZINC000159450592 539218589 /nfs/dbraw/zinc/21/85/89/539218589.db2.gz PZWLUCXHOXZPEZ-UHFFFAOYSA-N 0 0 305.309 1.688 20 70 DDIDRN Cc1noc(C)c1N(C)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000159361719 539218649 /nfs/dbraw/zinc/21/86/49/539218649.db2.gz HCRZXYTWRMJBTF-UHFFFAOYSA-N 0 0 300.318 1.748 20 70 DDIDRN O=C(CCCOc1cccnc1)N1CCC(OCCCO)CC1 ZINC000160047146 539219431 /nfs/dbraw/zinc/21/94/31/539219431.db2.gz FYKPMHYHFXJJGN-UHFFFAOYSA-N 0 0 322.405 1.631 20 70 DDIDRN O=C(CCCN1C(=O)CNC1=O)N[C@H]1CCCc2sccc21 ZINC000160077655 539219502 /nfs/dbraw/zinc/21/95/02/539219502.db2.gz VVLPDKPSVFXMDY-NSHDSACASA-N 0 0 321.402 1.574 20 70 DDIDRN CC(C)Cn1cc(NC(=O)N[C@@H](C)[C@H]2CN(C)CCO2)cn1 ZINC000160182277 539219613 /nfs/dbraw/zinc/21/96/13/539219613.db2.gz RWOZWGAUYDOLGM-GXTWGEPZSA-N 0 0 309.414 1.380 20 70 DDIDRN COC[C@@H](NC(=O)Nc1cnn(C[C@@H]2CCCO2)c1)C1CC1 ZINC000160530983 539219950 /nfs/dbraw/zinc/21/99/50/539219950.db2.gz LKJBOYMRFRIOAV-UONOGXRCSA-N 0 0 308.382 1.609 20 70 DDIDRN Cc1sc2ncn(CCC(=O)NC3(CO)CC3)c(=O)c2c1C ZINC000160545267 539220087 /nfs/dbraw/zinc/22/00/87/539220087.db2.gz DKXCVTOKHNXBCP-UHFFFAOYSA-N 0 0 321.402 1.106 20 70 DDIDRN COc1ncc(NC(=O)CN(C)c2ccccc2)cc1C(N)=O ZINC000160750055 539220261 /nfs/dbraw/zinc/22/02/61/539220261.db2.gz WYRAYVCYSQSIMV-UHFFFAOYSA-N 0 0 314.345 1.264 20 70 DDIDRN NC(=O)[C@H]1CC[C@@H](CNC(=O)C23CC4CC(CC(C4)C2)C3)O1 ZINC000160869245 539220445 /nfs/dbraw/zinc/22/04/45/539220445.db2.gz PMUCHTVJOOQTCR-XOJFTNBJSA-N 0 0 306.406 1.352 20 70 DDIDRN CNC(=O)NC(=O)CNc1cc(F)ccc1Br ZINC000159605309 290759901 /nfs/dbraw/zinc/75/99/01/290759901.db2.gz CVUNVENBXOSNBP-UHFFFAOYSA-N 0 0 304.119 1.456 20 70 DDIDRN Cn1cnnc1CNC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000159600427 290760155 /nfs/dbraw/zinc/76/01/55/290760155.db2.gz RYIVYWWHNRFDQR-WDEREUQCSA-N 0 0 323.397 1.125 20 70 DDIDRN Cc1cc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c[nH]c1=O ZINC000159728857 290761637 /nfs/dbraw/zinc/76/16/37/290761637.db2.gz XTBYMSULWQCHJA-LBPRGKRZSA-N 0 0 315.304 1.887 20 70 DDIDRN CCCCn1ncc(NC(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1C ZINC000159755280 290762045 /nfs/dbraw/zinc/76/20/45/290762045.db2.gz OBDRINCKEXSPCR-DGCLKSJQSA-N 0 0 323.397 1.146 20 70 DDIDRN COCCN(C)S(=O)(=O)N(C)[C@H](C)Cc1ccc(C)cc1 ZINC000159816532 290763549 /nfs/dbraw/zinc/76/35/49/290763549.db2.gz NXMJFFSRBNFHQS-CQSZACIVSA-N 0 0 314.451 1.681 20 70 DDIDRN O=C(CNC(=O)c1ccc(Cl)c(Cl)c1)NC1(CO)CC1 ZINC000160222464 290767905 /nfs/dbraw/zinc/76/79/05/290767905.db2.gz ZWZIFLDCIGKVLG-UHFFFAOYSA-N 0 0 317.172 1.364 20 70 DDIDRN C[C@@H](CNS(=O)(=O)CCC(C)(C)C)CN1CCOCC1 ZINC000160380960 290770936 /nfs/dbraw/zinc/77/09/36/290770936.db2.gz RGYVNEVJIRQGSX-ZDUSSCGKSA-N 0 0 306.472 1.310 20 70 DDIDRN CC(=O)N[C@H](CC(=O)NC1(CO)CC1)c1ccc(F)cc1F ZINC000160479794 290772591 /nfs/dbraw/zinc/77/25/91/290772591.db2.gz LFUHIHRQCFPSKJ-CYBMUJFWSA-N 0 0 312.316 1.173 20 70 DDIDRN CCc1nnc(COc2ccc(N(C)S(C)(=O)=O)cc2)o1 ZINC000160706671 290775882 /nfs/dbraw/zinc/77/58/82/290775882.db2.gz SGZVRGFONKNVFQ-UHFFFAOYSA-N 0 0 311.363 1.607 20 70 DDIDRN COc1ccc(CN2CCN(Cc3nncn3C)CC2)cc1F ZINC000160704926 290775891 /nfs/dbraw/zinc/77/58/91/290775891.db2.gz HOUJTPLRKGGHSW-UHFFFAOYSA-N 0 0 319.384 1.281 20 70 DDIDRN CCCN(CC(=O)Nc1ccccc1OC)Cc1nncn1C ZINC000160689614 290775257 /nfs/dbraw/zinc/77/52/57/290775257.db2.gz IYRZMZRGEIPGGJ-UHFFFAOYSA-N 0 0 317.393 1.674 20 70 DDIDRN COc1ncc(NC(=O)c2cc3ccccn3c2)cc1C(N)=O ZINC000160754656 290776228 /nfs/dbraw/zinc/77/62/28/290776228.db2.gz JIFOBZNEWHHVCM-UHFFFAOYSA-N 0 0 310.313 1.694 20 70 DDIDRN CC(C)C[C@H](C(=O)N[C@H](CO)CC(C)C)N1CCCCC1=O ZINC000161192848 290782464 /nfs/dbraw/zinc/78/24/64/290782464.db2.gz AOFHOBVMJWQAOC-LSDHHAIUSA-N 0 0 312.454 1.937 20 70 DDIDRN CCc1cc(C)c(C(=O)Nc2nc(CS(C)(=O)=O)no2)o1 ZINC000161307193 290783144 /nfs/dbraw/zinc/78/31/44/290783144.db2.gz RHBLMSVIZACQEI-UHFFFAOYSA-N 0 0 313.335 1.330 20 70 DDIDRN Cn1ccc(NC(=O)C=CC(=O)Nc2ccc3n[nH]cc3c2)n1 ZINC000161330957 290783567 /nfs/dbraw/zinc/78/35/67/290783567.db2.gz FMCKPBAQTBLVOL-SNAWJCMRSA-N 0 0 310.317 1.430 20 70 DDIDRN CCn1cc(C(=O)N2CCOC[C@H]2C[C@@H](O)c2ccco2)cn1 ZINC000159531110 186125356 /nfs/dbraw/zinc/12/53/56/186125356.db2.gz XIVSFBFITVTGJN-ZIAGYGMSSA-N 0 0 319.361 1.461 20 70 DDIDRN COC[C@@H](O)CCNC(=O)C(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000159556646 186126772 /nfs/dbraw/zinc/12/67/72/186126772.db2.gz SOYRBWXYBSPYIU-AWEZNQCLSA-N 0 0 322.405 1.436 20 70 DDIDRN CN(C)C(=O)CNC(=O)N1CCO[C@H](CCc2ccccc2)C1 ZINC000159568909 186127605 /nfs/dbraw/zinc/12/76/05/186127605.db2.gz MNPLNOHONGYQBO-OAHLLOKOSA-N 0 0 319.405 1.118 20 70 DDIDRN CCNC(=O)N1CCN(C(=O)Cc2nc(C)sc2C)CC1 ZINC000159743846 186139317 /nfs/dbraw/zinc/13/93/17/186139317.db2.gz FEYZJIGJHPTBCQ-UHFFFAOYSA-N 0 0 310.423 1.176 20 70 DDIDRN CCOC(=O)CN(C)CC(=O)N(Cc1ccccc1)C1CC1 ZINC000159519539 354234623 /nfs/dbraw/zinc/23/46/23/354234623.db2.gz NEVSRCHHEABUNH-UHFFFAOYSA-N 0 0 304.390 1.673 20 70 DDIDRN COC(=O)[C@H]1CCCN(C(=O)NCc2cc(C(C)C)no2)C1 ZINC000159996914 354236970 /nfs/dbraw/zinc/23/69/70/354236970.db2.gz PIGVRTMARJJCET-NSHDSACASA-N 0 0 309.366 1.893 20 70 DDIDRN O=C(Nc1ccc2nccnc2c1)C(=O)N1CCC2(CCC2)C1 ZINC000159410091 284343565 /nfs/dbraw/zinc/34/35/65/284343565.db2.gz FKTBXTNYRPMDDC-UHFFFAOYSA-N 0 0 310.357 1.971 20 70 DDIDRN CCCn1c(C)nnc1Cn1nnc(-c2cccc(OC)c2)n1 ZINC000161241706 197478061 /nfs/dbraw/zinc/47/80/61/197478061.db2.gz HHBZBVBCNSHSSL-UHFFFAOYSA-N 0 0 313.365 1.707 20 70 DDIDRN CC(=O)N1CC[C@H](NC(=O)Nc2ccn(CCC(C)C)n2)C1 ZINC000160997052 197455921 /nfs/dbraw/zinc/45/59/21/197455921.db2.gz XFGASXWJBUEHFS-ZDUSSCGKSA-N 0 0 307.398 1.672 20 70 DDIDRN C[C@H](CNC(=O)c1cccc(=O)n1C)COCc1ccccc1 ZINC000160904130 197448797 /nfs/dbraw/zinc/44/87/97/197448797.db2.gz MZHWRXVBVQXJMX-CQSZACIVSA-N 0 0 314.385 1.968 20 70 DDIDRN COC[C@@H](O)CCNC(=O)CC[C@@H]1Cc2ccccc2NC1=O ZINC000160894930 197448005 /nfs/dbraw/zinc/44/80/05/197448005.db2.gz HTJAUJNESGYMRC-KGLIPLIRSA-N 0 0 320.389 1.091 20 70 DDIDRN O=C(N[C@H]1CCOC2(CCCCC2)C1)[C@H]1CCS(=O)(=O)C1 ZINC000160798787 197440405 /nfs/dbraw/zinc/44/04/05/197440405.db2.gz GVOGGVNXRPPVAR-STQMWFEESA-N 0 0 315.435 1.419 20 70 DDIDRN Cn1ccnc1[C@](O)(CCNC(=O)[C@H]1CC1(C)C)C(F)(F)F ZINC000160641313 197428158 /nfs/dbraw/zinc/42/81/58/197428158.db2.gz TZZSCRVZZKDTLP-NOZJJQNGSA-N 0 0 319.327 1.722 20 70 DDIDRN Cc1ncccc1NC(=O)C(=O)Nc1cnn(CC(C)C)c1 ZINC000160381747 197405239 /nfs/dbraw/zinc/40/52/39/197405239.db2.gz JCDVXNBJRLMIBN-UHFFFAOYSA-N 0 0 301.350 1.820 20 70 DDIDRN CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=O)c1cc(Cl)c[nH]1 ZINC000160445832 197411314 /nfs/dbraw/zinc/41/13/14/197411314.db2.gz RHBYKECSCDMIBR-WPRPVWTQSA-N 0 0 319.814 1.116 20 70 DDIDRN Cc1ccc(C(=O)N[C@H](C(=O)NC[C@H](C)CO)C(C)C)cc1 ZINC000160439429 197410253 /nfs/dbraw/zinc/41/02/53/197410253.db2.gz QVIPPSURQODTSM-ZFWWWQNUSA-N 0 0 306.406 1.494 20 70 DDIDRN CC[C@@](C)(O)CNS(=O)(=O)c1cc(C)c(OC)cc1C ZINC000160279136 197397898 /nfs/dbraw/zinc/39/78/98/197397898.db2.gz HOUXHIVIIJYMHV-CQSZACIVSA-N 0 0 301.408 1.751 20 70 DDIDRN CC[C@H](CCO)CNC(=O)CCCNC(=O)c1cccnc1 ZINC000160266961 197396679 /nfs/dbraw/zinc/39/66/79/197396679.db2.gz BKCXHHMRDZQFHY-CYBMUJFWSA-N 0 0 307.394 1.116 20 70 DDIDRN C[C@@]1(O)CCCN(C(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000160261466 197396745 /nfs/dbraw/zinc/39/67/45/197396745.db2.gz VYLGSSYOFKHMFD-MRXNPFEDSA-N 0 0 315.377 1.324 20 70 DDIDRN Cc1conc1NC(=O)C(=O)NC[C@@H](O)c1ccc(C)cc1 ZINC000160250208 197396000 /nfs/dbraw/zinc/39/60/00/197396000.db2.gz WLOCIOLTSOBUKQ-GFCCVEGCSA-N 0 0 303.318 1.080 20 70 DDIDRN CCOc1ncccc1NC(=O)CS(=O)(=O)C(C)(C)C ZINC000160234623 197395316 /nfs/dbraw/zinc/39/53/16/197395316.db2.gz QXJHQZQLJPXYJC-UHFFFAOYSA-N 0 0 300.380 1.632 20 70 DDIDRN CC(C)(C)[C@H](NC(=O)Cc1cc(F)c(F)cc1F)C(N)=O ZINC000160232347 197394764 /nfs/dbraw/zinc/39/47/64/197394764.db2.gz USWLGJIVZHYLTR-GFCCVEGCSA-N 0 0 302.296 1.663 20 70 DDIDRN CN(CC1CC1)S(=O)(=O)CCC(=O)OCc1ccccc1 ZINC000160018523 197380360 /nfs/dbraw/zinc/38/03/60/197380360.db2.gz QQBSSKIWBVYTOQ-UHFFFAOYSA-N 0 0 311.403 1.792 20 70 DDIDRN COCCOCC(=O)NC[C@H](O)c1c(Cl)cccc1Cl ZINC000159992331 197378610 /nfs/dbraw/zinc/37/86/10/197378610.db2.gz OJUSRFXJRJPLIV-NSHDSACASA-N 0 0 322.188 1.806 20 70 DDIDRN CC(C)CS(=O)(=O)NC[C@H](O)COc1ccc(F)cc1 ZINC000159962889 197376506 /nfs/dbraw/zinc/37/65/06/197376506.db2.gz XTXKMMCBJJYXRD-LBPRGKRZSA-N 0 0 305.371 1.141 20 70 DDIDRN CC(C)(C)C[C@@H](CO)NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000159948967 197375891 /nfs/dbraw/zinc/37/58/91/197375891.db2.gz NSRHCFJFNIHWKW-NSHDSACASA-N 0 0 306.362 1.544 20 70 DDIDRN Cc1ccnc2nc(C(=O)NC[C@@H]3[C@@H]4Cc5ccccc5[C@H]34)nn21 ZINC000159939651 197374618 /nfs/dbraw/zinc/37/46/18/197374618.db2.gz AFOAFYBSKGROMD-ZNMIVQPWSA-N 0 0 319.368 1.748 20 70 DDIDRN O=C(CNC(=O)c1ccccc1)N[C@H]1CCC[C@H]2OCC[C@@H]21 ZINC000159848460 197368172 /nfs/dbraw/zinc/36/81/72/197368172.db2.gz OFFZAKDSZMJSCJ-QLFBSQMISA-N 0 0 302.374 1.490 20 70 DDIDRN CNC(=O)[C@@H]1CCCN(C(=O)[C@@H](C)Cc2ccccc2F)C1 ZINC000159760619 197362913 /nfs/dbraw/zinc/36/29/13/197362913.db2.gz GXSAJSBKRCJQKX-GXTWGEPZSA-N 0 0 306.381 1.989 20 70 DDIDRN CCC(=O)N1CC[C@@H](C(=O)Nc2nc3c(s2)CN(C)CC3)C1 ZINC000159494569 197357600 /nfs/dbraw/zinc/35/76/00/197357600.db2.gz GXTVCCKFZKEUSP-SNVBAGLBSA-N 0 0 322.434 1.328 20 70 DDIDRN Cc1nc(NC(=O)[C@@H](C)N(C)CC(C)(CO)CO)sc1C ZINC000159518288 197359799 /nfs/dbraw/zinc/35/97/99/197359799.db2.gz NIVMUXZCRYCVBO-SNVBAGLBSA-N 0 0 315.439 1.010 20 70 DDIDRN COc1ccc(S(=O)(=O)N(C)[C@@H]2CCSC2)cc1F ZINC000159427981 197353482 /nfs/dbraw/zinc/35/34/82/197353482.db2.gz HDBRPECJSMAESA-SECBINFHSA-N 0 0 305.396 1.960 20 70 DDIDRN CC(C)OCCS(=O)(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000159365792 197347967 /nfs/dbraw/zinc/34/79/67/197347967.db2.gz CLBIHAGBOKMRMJ-ZDUSSCGKSA-N 0 0 313.423 1.005 20 70 DDIDRN COc1ccc(NC(=O)N[C@@H]2CC(=O)N(C(C)C)C2)c(OC)c1 ZINC000217288514 407502295 /nfs/dbraw/zinc/50/22/95/407502295.db2.gz KBGKKDXIRLQJNX-LLVKDONJSA-N 0 0 321.377 1.835 20 70 DDIDRN CSC[C@](C)(O)CNC(=O)[C@H](C)Oc1cccc(F)c1 ZINC000217685709 407507041 /nfs/dbraw/zinc/50/70/41/407507041.db2.gz LOAMTYIMYOJDTH-IINYFYTJSA-N 0 0 301.383 1.823 20 70 DDIDRN CC(C)CCn1ccc(NC(=O)NC[C@@]2(O)CCSC2)n1 ZINC000159975778 408448772 /nfs/dbraw/zinc/44/87/72/408448772.db2.gz NDKARYLAQKMQQG-AWEZNQCLSA-N 0 0 312.439 1.919 20 70 DDIDRN CC1(C)CN(C(=O)/C=C/c2cccc(F)c2)CCS1(=O)=O ZINC000160016421 408452555 /nfs/dbraw/zinc/45/25/55/408452555.db2.gz LAPQJZHCHUFQJC-VOTSOKGWSA-N 0 0 311.378 1.875 20 70 DDIDRN CCOC(=O)C[C@H](C)NC(=O)c1ccc(-n2cncn2)cc1 ZINC000160065937 408454644 /nfs/dbraw/zinc/45/46/44/408454644.db2.gz QFVDNTHJFLVBIR-NSHDSACASA-N 0 0 302.334 1.339 20 70 DDIDRN COCCC1(CNC(=O)N2CCC[C@H]2C(=O)NC2CC2)CC1 ZINC000160087392 408455266 /nfs/dbraw/zinc/45/52/66/408455266.db2.gz OBDVHZCPKAVPPB-ZDUSSCGKSA-N 0 0 309.410 1.256 20 70 DDIDRN CC(C)OC(=O)CCCNC(=O)N(C)C[C@@H]1CCCCO1 ZINC000160103887 408457735 /nfs/dbraw/zinc/45/77/35/408457735.db2.gz OSXSVVVQTQDJSB-ZDUSSCGKSA-N 0 0 300.399 1.929 20 70 DDIDRN CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000160126003 408458334 /nfs/dbraw/zinc/45/83/34/408458334.db2.gz LZZSNXLKNWFWCA-DGCLKSJQSA-N 0 0 310.394 1.093 20 70 DDIDRN CNC(=O)CCCN(C)S(=O)(=O)c1ccc(SC)cc1 ZINC000159412003 408405783 /nfs/dbraw/zinc/40/57/83/408405783.db2.gz UAHXWRAHNAHLKY-UHFFFAOYSA-N 0 0 316.448 1.555 20 70 DDIDRN COC[C@@H](O)CNC(=O)c1ccc(OCc2ccccn2)cc1 ZINC000159438834 408407323 /nfs/dbraw/zinc/40/73/23/408407323.db2.gz ZCIFTSKWGODLLX-HNNXBMFYSA-N 0 0 316.357 1.398 20 70 DDIDRN CCCCSCCC(=O)NCCC(=O)N1CCOCC1 ZINC000159488592 408410697 /nfs/dbraw/zinc/41/06/97/408410697.db2.gz DPRQSKHSBIKKLP-UHFFFAOYSA-N 0 0 302.440 1.275 20 70 DDIDRN C[C@H](c1cccc(F)c1)N1CCN([C@@H]2CCN(C)C2=O)CC1 ZINC000159481539 408411018 /nfs/dbraw/zinc/41/10/18/408411018.db2.gz ZSHXIXAHTKNIQE-CZUORRHYSA-N 0 0 305.397 1.735 20 70 DDIDRN 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ZINC000159681439 408424106 /nfs/dbraw/zinc/42/41/06/408424106.db2.gz LIWCKKJYSIHQHN-UHFFFAOYSA-N 0 0 305.421 1.130 20 70 DDIDRN O=C(NC[C@@H]1CCC[C@@H](O)C1)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159668209 408424296 /nfs/dbraw/zinc/42/42/96/408424296.db2.gz XFKPRFURKLYEDI-HZSPNIEDSA-N 0 0 322.409 1.592 20 70 DDIDRN CC[C@@H]1CCC[C@H]1NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000159680067 408426008 /nfs/dbraw/zinc/42/60/08/408426008.db2.gz FZORLGGTUXHPDC-MGPQQGTHSA-N 0 0 306.410 1.597 20 70 DDIDRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)NCc2ccccc2CO)C1 ZINC000159764059 408432894 /nfs/dbraw/zinc/43/28/94/408432894.db2.gz SNQUUTYEGYAGJX-CHWSQXEVSA-N 0 0 312.435 1.491 20 70 DDIDRN C[C@@H]1[C@H](C)OCCN1C(=O)NCCc1cn2c(n1)CCCC2 ZINC000159778547 408433561 /nfs/dbraw/zinc/43/35/61/408433561.db2.gz OGTISDPSDIWGEX-OLZOCXBDSA-N 0 0 306.410 1.581 20 70 DDIDRN Cn1cc(CN[C@H](C(N)=O)c2ccccc2)c(C(F)(F)F)n1 ZINC000159802548 408436794 /nfs/dbraw/zinc/43/67/94/408436794.db2.gz JMFIJZUYJNPALZ-NSHDSACASA-N 0 0 312.295 1.755 20 70 DDIDRN Cc1ccc(NC(=O)C(=O)NCCN(C)c2ccccc2)cn1 ZINC000159890548 408440230 /nfs/dbraw/zinc/44/02/30/408440230.db2.gz KVCDBRVNSJVPOR-UHFFFAOYSA-N 0 0 312.373 1.581 20 70 DDIDRN C[C@H](NC(=O)Nc1ccnn1C[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000159894177 408444739 /nfs/dbraw/zinc/44/47/39/408444739.db2.gz FJVFXEFHVHAEKH-AVGNSLFASA-N 0 0 308.382 1.466 20 70 DDIDRN C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1coc(S(N)(=O)=O)c1 ZINC000160458004 408485189 /nfs/dbraw/zinc/48/51/89/408485189.db2.gz IQFKJYNVNREVCL-SCVCMEIPSA-N 0 0 312.391 1.720 20 70 DDIDRN CCCN(CCC)C(=O)N[C@H]1CCc2nc(COC)nn2C1 ZINC000160866632 408530942 /nfs/dbraw/zinc/53/09/42/408530942.db2.gz KHGIIMKTUCXXGE-LBPRGKRZSA-N 0 0 309.414 1.571 20 70 DDIDRN Cc1nc2n(n1)C[C@@H](NC(=O)c1cnn(CC(C)C)c1C)CC2 ZINC000160539019 408493400 /nfs/dbraw/zinc/49/34/00/408493400.db2.gz CQQGCIVDONRTCN-ZDUSSCGKSA-N 0 0 316.409 1.492 20 70 DDIDRN CCC(CC)CNC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000160548142 408494413 /nfs/dbraw/zinc/49/44/13/408494413.db2.gz AQTUXFYCQCZNCL-CQSZACIVSA-N 0 0 311.426 1.455 20 70 DDIDRN C[C@@H](CN1CCOCC1)NC(=O)[C@@H]1C[C@@H]1c1cc(F)ccc1F ZINC000160596114 408503023 /nfs/dbraw/zinc/50/30/23/408503023.db2.gz AQMQMBAXEUNYSM-NJZAAPMLSA-N 0 0 324.371 1.905 20 70 DDIDRN Cc1cc(N(C)C)ccc1NC(=O)NCC1(CO)CCOCC1 ZINC000160621776 408504786 /nfs/dbraw/zinc/50/47/86/408504786.db2.gz WTBCOKJOVIWAMO-UHFFFAOYSA-N 0 0 321.421 1.972 20 70 DDIDRN Cc1cncc(/C=C/C(=O)NC[C@H](C(C)C)N2CCOCC2)c1 ZINC000160628359 408505314 /nfs/dbraw/zinc/50/53/14/408505314.db2.gz AQMQITYGFPVQGM-LAQIPUCWSA-N 0 0 317.433 1.876 20 70 DDIDRN COc1cccc(CNC(=O)N2CCC[C@@](C)(O)C2)c1OC ZINC000160667687 408510631 /nfs/dbraw/zinc/51/06/31/408510631.db2.gz ROPZWNCHQLKDPW-MRXNPFEDSA-N 0 0 308.378 1.760 20 70 DDIDRN CN(Cc1cccn1C)C(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000160753885 408519090 /nfs/dbraw/zinc/51/90/90/408519090.db2.gz UPYASGLYDWTTGB-ZDUSSCGKSA-N 0 0 315.373 1.625 20 70 DDIDRN C[C@@H](CC(=O)c1cccs1)NC(=O)CNC(=O)C(C)(C)C ZINC000160765720 408522945 /nfs/dbraw/zinc/52/29/45/408522945.db2.gz GBKGVRVNROPPIQ-JTQLQIEISA-N 0 0 310.419 1.988 20 70 DDIDRN CC(C)OC(=O)c1cccnc1N1CCS(=O)(=O)[C@H](C)C1 ZINC000160771543 408523241 /nfs/dbraw/zinc/52/32/41/408523241.db2.gz HODJCLCVKXQJLP-LLVKDONJSA-N 0 0 312.391 1.270 20 70 DDIDRN CCN1CCN(C(=O)NCc2cn(C)nc2C(F)(F)F)CC1 ZINC000160792541 408523781 /nfs/dbraw/zinc/52/37/81/408523781.db2.gz HWZSSRCZNOVLFC-UHFFFAOYSA-N 0 0 319.331 1.286 20 70 DDIDRN CS[C@@H](C)CNC(=O)NCCNC(=O)c1ccccc1F ZINC000160789216 408523952 /nfs/dbraw/zinc/52/39/52/408523952.db2.gz LUGCGSMDEFEDFX-JTQLQIEISA-N 0 0 313.398 1.606 20 70 DDIDRN O=C(Nc1ccn(CC(F)(F)F)n1)N1CCN(C2CC2)CC1 ZINC000160819355 408525817 /nfs/dbraw/zinc/52/58/17/408525817.db2.gz ASMCOJUZQQELPO-UHFFFAOYSA-N 0 0 317.315 1.757 20 70 DDIDRN C[C@@H](CC(=O)c1cccs1)NC(=O)CCN1C(=O)CCC1=O ZINC000160829270 408527524 /nfs/dbraw/zinc/52/75/24/408527524.db2.gz LZTAQMLLKMORSG-JTQLQIEISA-N 0 0 322.386 1.365 20 70 DDIDRN C[C@@H](C[C@H]1CCCO1)NC(=O)c1csc(S(C)(=O)=O)c1 ZINC000160834006 408528474 /nfs/dbraw/zinc/52/84/74/408528474.db2.gz GTRVXFSZBHEXJR-GXSJLCMTSA-N 0 0 317.432 1.839 20 70 DDIDRN CCc1ccccc1C(=O)N1CCCN(CC(=O)N(C)C)CC1 ZINC000160845153 408529844 /nfs/dbraw/zinc/52/98/44/408529844.db2.gz CKMFFKQGJOGVOP-UHFFFAOYSA-N 0 0 317.433 1.485 20 70 DDIDRN COc1cccc2c1CC[C@H]2NC(=O)[C@H](NC(C)=O)C(C)C ZINC000160203540 408462793 /nfs/dbraw/zinc/46/27/93/408462793.db2.gz GEAUXTCPPDZBRG-GDBMZVCRSA-N 0 0 304.390 1.959 20 70 DDIDRN CC(C)OC(=O)CCCNC(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000160227049 408465308 /nfs/dbraw/zinc/46/53/08/408465308.db2.gz ZLRCJFAZWKOZSD-OLZOCXBDSA-N 0 0 300.399 1.521 20 70 DDIDRN CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C(C)(C)COC ZINC000160309297 408467449 /nfs/dbraw/zinc/46/74/49/408467449.db2.gz PKUBMIUKGGOLKH-UHFFFAOYSA-N 0 0 317.389 1.944 20 70 DDIDRN CC(C)CCn1ccc(NC(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)n1 ZINC000160330229 408469689 /nfs/dbraw/zinc/46/96/89/408469689.db2.gz ZIYAYHSTSAVZIN-NEPJUHHUSA-N 0 0 323.397 1.084 20 70 DDIDRN Cc1cccc(C)c1NC(=O)C(=O)N1CCC[C@H]1C(=O)N(C)C ZINC000160315801 408470327 /nfs/dbraw/zinc/47/03/27/408470327.db2.gz GCFFDWGTABWERX-ZDUSSCGKSA-N 0 0 317.389 1.321 20 70 DDIDRN O=C(CCC(=O)NC1CCCC1)NCc1ccc(O)c(F)c1 ZINC000160314565 408471243 /nfs/dbraw/zinc/47/12/43/408471243.db2.gz UAXXWZKNJZGONU-UHFFFAOYSA-N 0 0 308.353 1.987 20 70 DDIDRN CC[C@](C)(O)CNS(=O)(=O)c1ccc2c(c1)N(C)CCC2 ZINC000160341597 408473770 /nfs/dbraw/zinc/47/37/70/408473770.db2.gz OGSJOTQIOKBXKC-HNNXBMFYSA-N 0 0 312.435 1.508 20 70 DDIDRN COc1ccc(CNC(=O)CN[C@H](C)c2cnccn2)cc1 ZINC000160981012 408546598 /nfs/dbraw/zinc/54/65/98/408546598.db2.gz RKCSOYWQAZMXHW-GFCCVEGCSA-N 0 0 300.362 1.452 20 70 DDIDRN COc1ccc(CNC(=O)CN[C@@H](C)c2cnccn2)cc1 ZINC000160980877 408546847 /nfs/dbraw/zinc/54/68/47/408546847.db2.gz RKCSOYWQAZMXHW-LBPRGKRZSA-N 0 0 300.362 1.452 20 70 DDIDRN COc1ccccc1N1CC[C@H](NC(=O)[C@]2(C)CCCO2)C1 ZINC000161019727 408549671 /nfs/dbraw/zinc/54/96/71/408549671.db2.gz WRVCVZRPNIKBRB-GUYCJALGSA-N 0 0 304.390 1.959 20 70 DDIDRN CCCCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)CC2 ZINC000161009168 408550471 /nfs/dbraw/zinc/55/04/71/408550471.db2.gz PKVQHQUYPKEHPX-UHFFFAOYSA-N 0 0 317.389 1.560 20 70 DDIDRN CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000161027767 408551920 /nfs/dbraw/zinc/55/19/20/408551920.db2.gz UWRUAEOPXFVLBF-OAHLLOKOSA-N 0 0 307.350 1.123 20 70 DDIDRN CC(C)OC(=O)c1ccn(Cc2cccc(C(N)=O)c2)c(=O)c1 ZINC000161036494 408552969 /nfs/dbraw/zinc/55/29/69/408552969.db2.gz CEVUZCMRPOZDNL-UHFFFAOYSA-N 0 0 314.341 1.561 20 70 DDIDRN CCc1noc(C)c1NC(=O)C(=O)N1CC[C@@H](OCC(C)C)C1 ZINC000161047351 408554621 /nfs/dbraw/zinc/55/46/21/408554621.db2.gz XGIMOLMJMUZOBW-GFCCVEGCSA-N 0 0 323.393 1.757 20 70 DDIDRN COC[C@@H](O)CCNC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000161073619 408555946 /nfs/dbraw/zinc/55/59/46/408555946.db2.gz IEEPIANFHFNOEP-ZDUSSCGKSA-N 0 0 313.781 1.817 20 70 DDIDRN COC[C@H](O)CCNC(=O)CCC(=O)c1ccc(Cl)cc1 ZINC000161073502 408556859 /nfs/dbraw/zinc/55/68/59/408556859.db2.gz IEEPIANFHFNOEP-CYBMUJFWSA-N 0 0 313.781 1.817 20 70 DDIDRN CN(C[C@@H]1CCOC1)C(=O)Nc1ccc(-c2ncn(C)n2)cc1 ZINC000161080115 408556881 /nfs/dbraw/zinc/55/68/81/408556881.db2.gz DCYMGTQBFSMKQH-LBPRGKRZSA-N 0 0 315.377 1.982 20 70 DDIDRN COC[C@@H](O)CCNC(=O)COc1ccc(F)cc1Cl ZINC000161436123 408601660 /nfs/dbraw/zinc/60/16/60/408601660.db2.gz QJJYIHZGRXOZNS-JTQLQIEISA-N 0 0 305.733 1.372 20 70 DDIDRN COC[C@H](O)CCNC(=O)CCC(=O)c1ccc(C)c(C)c1 ZINC000161125907 408562173 /nfs/dbraw/zinc/56/21/73/408562173.db2.gz HYAPQCWWUUCYPT-OAHLLOKOSA-N 0 0 307.390 1.780 20 70 DDIDRN COC[C@@H](O)CCNC(=O)CCCOc1ccc(C)cc1C ZINC000161112760 408562336 /nfs/dbraw/zinc/56/23/36/408562336.db2.gz QKSCJMZGFIFFTF-HNNXBMFYSA-N 0 0 309.406 1.976 20 70 DDIDRN CN(C)C(=O)CC(=O)N(Cc1ccccc1)CC1(O)CCCC1 ZINC000161181699 408569511 /nfs/dbraw/zinc/56/95/11/408569511.db2.gz FTWBYNJUOXCBDH-UHFFFAOYSA-N 0 0 318.417 1.799 20 70 DDIDRN CCCC[C@H](NC(=O)c1ccc(=O)n(C)n1)C(=O)OC(C)(C)C ZINC000161203759 408571846 /nfs/dbraw/zinc/57/18/46/408571846.db2.gz SOLVDQDDQPKGLR-LBPRGKRZSA-N 0 0 323.393 1.411 20 70 DDIDRN COc1ccccc1N1CC[C@H](NC(=O)[C@H]2CCCOC2)C1=O ZINC000161220231 408573705 /nfs/dbraw/zinc/57/37/05/408573705.db2.gz VBAIHRVHVRPKMJ-STQMWFEESA-N 0 0 318.373 1.343 20 70 DDIDRN COc1ccccc1N1CC[C@H](NC(=O)c2ncoc2C)C1=O ZINC000161285538 408581216 /nfs/dbraw/zinc/58/12/16/408581216.db2.gz KVIBMBHCKTTXFK-NSHDSACASA-N 0 0 315.329 1.527 20 70 DDIDRN CCS(=O)(=O)CCNC(=O)c1cnn(CC(C)C)c1C ZINC000161316566 408585949 /nfs/dbraw/zinc/58/59/49/408585949.db2.gz RXYXMOMZBSONLO-UHFFFAOYSA-N 0 0 301.412 1.012 20 70 DDIDRN Cc1cc(C[C@@H](C)NC(=O)Cn2c(=O)[nH]c3ccccc32)[nH]n1 ZINC000161344229 408591686 /nfs/dbraw/zinc/59/16/86/408591686.db2.gz JSJYQGIVXRXXMO-SNVBAGLBSA-N 0 0 313.361 1.109 20 70 DDIDRN CCOC(=O)C1(C(=O)N2CCC(N(C)C(C)=O)CC2)CCC1 ZINC000161441050 408602624 /nfs/dbraw/zinc/60/26/24/408602624.db2.gz BOTLAQFREKYZKD-UHFFFAOYSA-N 0 0 310.394 1.189 20 70 DDIDRN COCc1nc2n(n1)C[C@H](Nc1ccnc(C(C)C)n1)CC2 ZINC000161380510 408596364 /nfs/dbraw/zinc/59/63/64/408596364.db2.gz OZCJDRNKGHTRPS-LLVKDONJSA-N 0 0 302.382 1.765 20 70 DDIDRN CC(C)NC(=O)CNC(=O)Nc1cccc(-c2ncn(C)n2)c1 ZINC000161396014 408597086 /nfs/dbraw/zinc/59/70/86/408597086.db2.gz VHZCXWVOPHLRCN-UHFFFAOYSA-N 0 0 316.365 1.128 20 70 DDIDRN NC(=O)NC1(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000161413773 408600310 /nfs/dbraw/zinc/60/03/10/408600310.db2.gz PBBSOEHSJNZGEJ-GFCCVEGCSA-N 0 0 323.780 1.441 20 70 DDIDRN Cc1ccc(NC(=O)C(=O)NC[C@]2(CCO)CCOC2)c(C)c1 ZINC000160888639 408533911 /nfs/dbraw/zinc/53/39/11/408533911.db2.gz KHVGCHLCJMKVCI-KRWDZBQOSA-N 0 0 320.389 1.147 20 70 DDIDRN CNS(=O)(=O)CC(=O)Nc1ccccc1SC(C)C ZINC000160886759 408534354 /nfs/dbraw/zinc/53/43/54/408534354.db2.gz XBPVHBPQHPCDPD-UHFFFAOYSA-N 0 0 302.421 1.675 20 70 DDIDRN COCCn1cc(NC(=O)N(C)CCCn2ccnc2C)cn1 ZINC000160903193 408537685 /nfs/dbraw/zinc/53/76/85/408537685.db2.gz NJMGDNMVGHJMSN-UHFFFAOYSA-N 0 0 320.397 1.588 20 70 DDIDRN C[C@H](CCO)CNC(=O)CNC(=O)c1cc2ccccc2[nH]1 ZINC000160920576 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/nfs/dbraw/zinc/52/76/49/408527649.db2.gz YBFQCTQCYBCIHH-UHFFFAOYSA-N 0 0 318.421 1.967 20 70 DDIDRN CC(C)C[C@@H](CO)NC(=O)CN1C(=O)CCc2ccccc21 ZINC000160852086 408529084 /nfs/dbraw/zinc/52/90/84/408529084.db2.gz PGNCNOYSRFJART-AWEZNQCLSA-N 0 0 304.390 1.489 20 70 DDIDRN CC[C@H](CO)NC(=O)Nc1ccc2c(c1)CCCN2C(C)=O ZINC000160842044 408529317 /nfs/dbraw/zinc/52/93/17/408529317.db2.gz LEASWEKMUGFUIH-CYBMUJFWSA-N 0 0 305.378 1.878 20 70 DDIDRN Cc1cnccc1CCNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000160850048 408529826 /nfs/dbraw/zinc/52/98/26/408529826.db2.gz MOFTVHWGLTZBGU-GJZGRUSLSA-N 0 0 320.437 1.341 20 70 DDIDRN NC(=O)c1ccc(OCC(=O)NCCc2cccc(O)c2)cc1 ZINC000160221439 408465588 /nfs/dbraw/zinc/46/55/88/408465588.db2.gz AFOSMKKKMYTLPR-UHFFFAOYSA-N 0 0 314.341 1.229 20 70 DDIDRN CC[C@@]1(C)C[C@@H]1C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000160278715 408467275 /nfs/dbraw/zinc/46/72/75/408467275.db2.gz KVFHFNOHFZHFIF-BZNIZROVSA-N 0 0 316.361 1.007 20 70 DDIDRN CCOC(=O)C[C@H](C)NC(=O)/C=C/c1ccc(C(=O)NC)cc1 ZINC000160339414 408472276 /nfs/dbraw/zinc/47/22/76/408472276.db2.gz LXHMHUPOTMHSHF-PMDBQALLSA-N 0 0 318.373 1.517 20 70 DDIDRN CCN(CCS(C)(=O)=O)C(=O)Nc1nc(C2CC2)cs1 ZINC000160367541 408475044 /nfs/dbraw/zinc/47/50/44/408475044.db2.gz ZFWRLDYJMUUHEX-UHFFFAOYSA-N 0 0 317.436 1.919 20 70 DDIDRN C[C@@H](NC(=O)NC1CCC(O)CC1)[C@H](O)Cc1ccccc1 ZINC000160959603 408545311 /nfs/dbraw/zinc/54/53/11/408545311.db2.gz TUWZECXQQYCCDU-TWRYWWQQSA-N 0 0 306.406 1.581 20 70 DDIDRN COc1ccc(CN2CCN(C(=O)[C@H]3CCCO3)CC2)cc1O ZINC000160992650 408547146 /nfs/dbraw/zinc/54/71/46/408547146.db2.gz VVENAPLPLUDJLF-MRXNPFEDSA-N 0 0 320.389 1.224 20 70 DDIDRN CS[C@@H](CO)[C@@H](C)NC(=O)[C@@H]1CC(c2ccccc2)=NO1 ZINC000161009626 408549883 /nfs/dbraw/zinc/54/98/83/408549883.db2.gz NXRXYSWECJQWLV-SWHYSGLUSA-N 0 0 308.403 1.408 20 70 DDIDRN Cc1cc(C[C@H](C)NC(=O)[C@@H](C)NC(=O)c2ccccc2)[nH]n1 ZINC000161073016 408555957 /nfs/dbraw/zinc/55/59/57/408555957.db2.gz 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/nfs/dbraw/zinc/56/23/03/408562303.db2.gz IYJZBJUYIMKGGK-UHFFFAOYSA-N 0 0 306.391 1.930 20 70 DDIDRN CN(Cc1cscn1)C(=O)c1ccc2[nH]c(=O)n(C)c2c1 ZINC000161221071 408573829 /nfs/dbraw/zinc/57/38/29/408573829.db2.gz KLXFUHOSBTUDOB-UHFFFAOYSA-N 0 0 302.359 1.595 20 70 DDIDRN CCn1cnnc1[C@@H]1CCCN(CC(=O)N[C@@H](C)C(C)C)C1 ZINC000161305598 408585151 /nfs/dbraw/zinc/58/51/51/408585151.db2.gz SIPRZOBQRZUAIA-UONOGXRCSA-N 0 0 307.442 1.638 20 70 DDIDRN CC(C)[C@@H](C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1)c1ccccc1 ZINC000161340956 408588934 /nfs/dbraw/zinc/58/89/34/408588934.db2.gz DUAIYKIYCCHECH-RRFJBIMHSA-N 0 0 304.390 1.575 20 70 DDIDRN COCc1nc2n(n1)C[C@H](Nc1cnc3ccccc3n1)CC2 ZINC000161352855 408592168 /nfs/dbraw/zinc/59/21/68/408592168.db2.gz GIDMLMSPHNKSIR-LLVKDONJSA-N 0 0 310.361 1.795 20 70 DDIDRN CN(CCc1ccncc1)C(=O)c1cccc2c1oc(=O)n2C ZINC000161426666 408599394 /nfs/dbraw/zinc/59/93/94/408599394.db2.gz RDMSHPOYQZLBKL-UHFFFAOYSA-N 0 0 311.341 1.841 20 70 DDIDRN CSc1ccccc1NC(=O)CN(C)Cc1cnnn1C ZINC000160880978 408535056 /nfs/dbraw/zinc/53/50/56/408535056.db2.gz NBHYLVKJZMYSFZ-UHFFFAOYSA-N 0 0 305.407 1.608 20 70 DDIDRN COC[C@@H](O)CNS(=O)(=O)c1ccc(C(C)(C)C)s1 ZINC000160902812 408538003 /nfs/dbraw/zinc/53/80/03/408538003.db2.gz NNLVQYVXSDDZCI-VIFPVBQESA-N 0 0 307.437 1.331 20 70 DDIDRN COC[C@H](O)CCNC(=O)CCc1cccc(OC(C)(C)C)n1 ZINC000160930234 408540442 /nfs/dbraw/zinc/54/04/42/408540442.db2.gz ATFRYLGRWRCAQZ-CQSZACIVSA-N 0 0 324.421 1.705 20 70 DDIDRN C[C@H](CCO)CNC(=O)Cc1csc(-c2cccnc2)n1 ZINC000160933017 408541757 /nfs/dbraw/zinc/54/17/57/408541757.db2.gz IFMAPQSZDDZGSK-LLVKDONJSA-N 0 0 305.403 1.882 20 70 DDIDRN Cc1[nH]c(C(=O)NC[C@H](C)CCO)c(C)c1C(=O)OC(C)C ZINC000160957747 408542909 /nfs/dbraw/zinc/54/29/09/408542909.db2.gz LJSWMXSPSDMKLG-SNVBAGLBSA-N 0 0 310.394 1.945 20 70 DDIDRN COC[C@@H](O)CCNC(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000161496721 408607593 /nfs/dbraw/zinc/60/75/93/408607593.db2.gz ZHCDFEOCWDXSEJ-AWEZNQCLSA-N 0 0 306.362 1.162 20 70 DDIDRN CCOCCC1(CNC(=O)N2CCC[C@H](CC(N)=O)C2)CC1 ZINC000161507005 408611168 /nfs/dbraw/zinc/61/11/68/408611168.db2.gz FILUZMKFWACKSS-CYBMUJFWSA-N 0 0 311.426 1.490 20 70 DDIDRN C[C@@H](O)CN(C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000159577874 287082050 /nfs/dbraw/zinc/08/20/50/287082050.db2.gz NFFKIDMUFGTVFF-KCJUWKMLSA-N 0 0 301.184 1.288 20 70 DDIDRN Cc1ccc(NC(=O)C(=O)NCCc2cccc(F)c2)cn1 ZINC000159864731 221698434 /nfs/dbraw/zinc/69/84/34/221698434.db2.gz ONOOPZAEAWHDAH-UHFFFAOYSA-N 0 0 301.321 1.827 20 70 DDIDRN CCOc1ncccc1CNC(=O)C(=O)Nc1ccc(C)nc1 ZINC000160003467 221700300 /nfs/dbraw/zinc/70/03/00/221700300.db2.gz NKWVRCUTQJTMKR-UHFFFAOYSA-N 0 0 314.345 1.439 20 70 DDIDRN CN1CCN(C(=O)N[C@H]2CCO[C@@H](c3ccccc3)C2)CC1=O ZINC000160809027 418517103 /nfs/dbraw/zinc/51/71/03/418517103.db2.gz AHCSDNNSJFDWAI-LSDHHAIUSA-N 0 0 317.389 1.390 20 70 DDIDRN CC(=O)N1CSC[C@H]1C(=O)N[C@@H]1CCOC2(CCCC2)C1 ZINC000160227217 278067016 /nfs/dbraw/zinc/06/70/16/278067016.db2.gz HRBPXHSWYVRKDR-OLZOCXBDSA-N 0 0 312.435 1.516 20 70 DDIDRN C[C@@H]1CO[C@@H](c2ccccc2)[C@H](C)N1S(=O)(=O)c1c[nH]cn1 ZINC000159432391 288391155 /nfs/dbraw/zinc/39/11/55/288391155.db2.gz GUPMLXJHGSJZKG-TYNCELHUSA-N 0 0 321.402 1.949 20 70 DDIDRN Cc1cc(S(N)(=O)=O)cc(C(=O)N2CC[C@H](C)[C@H]2C)c1C ZINC000160707172 484066622 /nfs/dbraw/zinc/06/66/22/484066622.db2.gz ALHJSFQUEVCQJM-JOYOIKCWSA-N 0 0 310.419 1.821 20 70 DDIDRN COc1cc(N2CCOC(C)(C)C2)ccc1N[C@@H](C)C(N)=O ZINC000160301667 522635477 /nfs/dbraw/zinc/63/54/77/522635477.db2.gz XBROPQYZUZZUJH-NSHDSACASA-N 0 0 307.394 1.596 20 70 DDIDRN CN(C[C@H]1CCCCO1)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000159513697 523106431 /nfs/dbraw/zinc/10/64/31/523106431.db2.gz QPURKMKLDMXKKP-UONOGXRCSA-N 0 0 322.409 1.952 20 70 DDIDRN CC[C@@H]1CCC[C@@H]1NC(=O)CN(C)C(=O)[C@@H](C)n1cccn1 ZINC000159679774 523286562 /nfs/dbraw/zinc/28/65/62/523286562.db2.gz FZORLGGTUXHPDC-MCIONIFRSA-N 0 0 306.410 1.597 20 70 DDIDRN COC(=O)[C@]1(C)CCN(C(=O)N[C@H]2CCO[C@H](C3CC3)C2)C1 ZINC000160295813 524009840 /nfs/dbraw/zinc/00/98/40/524009840.db2.gz MJBMSRIVJIKUDU-HEHGZKQESA-N 0 0 310.394 1.539 20 70 DDIDRN O=C(NC[C@@H](O)c1cccc(F)c1)[C@@H]1CCn2ccnc2C1 ZINC000160747562 526488421 /nfs/dbraw/zinc/48/84/21/526488421.db2.gz BTFUJHQODABNAB-TZMCWYRMSA-N 0 0 303.337 1.434 20 70 DDIDRN CSc1nn(C)c(NC(=O)c2cc(C)c(C)o2)c1C(N)=O ZINC000159600969 539218805 /nfs/dbraw/zinc/21/88/05/539218805.db2.gz AQXIVTBRTWINOI-UHFFFAOYSA-N 0 0 308.363 1.703 20 70 DDIDRN CCCCn1ncc(NC(=O)N[C@H](C)[C@@H]2CN(C)CCO2)c1C ZINC000159634884 539218942 /nfs/dbraw/zinc/21/89/42/539218942.db2.gz ZKUCXFCJAPHXMH-DOMZBBRYSA-N 0 0 323.441 1.832 20 70 DDIDRN CC(=O)N1CC[C@@H](CN(C)C(=O)NC[C@H]2Cc3ccccc32)C1 ZINC000159889057 539219178 /nfs/dbraw/zinc/21/91/78/539219178.db2.gz NEMMWOWYIAMKEG-GOEBONIOSA-N 0 0 315.417 1.836 20 70 DDIDRN CN(CC(C)(C)CN1CCOCC1)C(=O)CCCn1ccnc1 ZINC000160003785 539219279 /nfs/dbraw/zinc/21/92/79/539219279.db2.gz OUGJZZUVWCHZFH-UHFFFAOYSA-N 0 0 322.453 1.480 20 70 DDIDRN CC(C)CCn1cc(C(=O)N2CCC(OCCCO)CC2)nn1 ZINC000160119687 539219445 /nfs/dbraw/zinc/21/94/45/539219445.db2.gz MTNNQXXARYXMTB-UHFFFAOYSA-N 0 0 324.425 1.328 20 70 DDIDRN COc1cccc(CNC(=O)NCCc2ccncc2C)n1 ZINC000160336482 539219771 /nfs/dbraw/zinc/21/97/71/539219771.db2.gz KUNSESQKCPAAPM-UHFFFAOYSA-N 0 0 300.362 1.836 20 70 DDIDRN O=C(Nc1ccc(C(=O)N2CCCC2)cc1)NC1(CO)CC1 ZINC000160515459 539220014 /nfs/dbraw/zinc/22/00/14/539220014.db2.gz IAWJDRRDIMUWQW-UHFFFAOYSA-N 0 0 303.362 1.569 20 70 DDIDRN C[C@@H](CC(=O)NCC1(CS(C)(=O)=O)CC1)c1ccncc1 ZINC000160964001 539220677 /nfs/dbraw/zinc/22/06/77/539220677.db2.gz YCARHUPINHRITK-LBPRGKRZSA-N 0 0 310.419 1.516 20 70 DDIDRN NC(=O)[C@H]1CC[C@H](CNC(=O)c2ncoc2-c2ccccc2)O1 ZINC000161220368 539221075 /nfs/dbraw/zinc/22/10/75/539221075.db2.gz SGUDHALRKKAABS-VXGBXAGGSA-N 0 0 315.329 1.104 20 70 DDIDRN Cc1conc1NC(=O)C(=O)N[C@H]1CCc2ccc(F)cc21 ZINC000161102169 539221080 /nfs/dbraw/zinc/22/10/80/539221080.db2.gz SEZNMAYBSDDAHS-LBPRGKRZSA-N 0 0 303.293 1.864 20 70 DDIDRN C[C@@H](O)[C@H]1CCCN(C(=O)c2cc(S(C)(=O)=O)cs2)C1 ZINC000159379262 290757157 /nfs/dbraw/zinc/75/71/57/290757157.db2.gz FRRTVVKYXZEYOK-ZJUUUORDSA-N 0 0 317.432 1.385 20 70 DDIDRN O=C(NCCO)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000159415430 290757535 /nfs/dbraw/zinc/75/75/35/290757535.db2.gz WJVHYBGZQGZMAX-UHFFFAOYSA-N 0 0 311.135 1.013 20 70 DDIDRN Cc1cc(OCC(=O)NCCOc2ccc(F)cc2)nn1C ZINC000159727392 290761548 /nfs/dbraw/zinc/76/15/48/290761548.db2.gz ITPXHAQXDCQWBR-UHFFFAOYSA-N 0 0 307.325 1.442 20 70 DDIDRN CCc1ccc(S(C)(=O)=O)cc1C(=O)NCCn1cccn1 ZINC000159729536 290761704 /nfs/dbraw/zinc/76/17/04/290761704.db2.gz JDORRKLBCTZNNK-UHFFFAOYSA-N 0 0 321.402 1.279 20 70 DDIDRN CC[C@H]1CCCCN1C(=O)CSCCN1CCOCC1 ZINC000159924313 290764522 /nfs/dbraw/zinc/76/45/22/290764522.db2.gz DZINVGPFYFGAOD-AWEZNQCLSA-N 0 0 300.468 1.843 20 70 DDIDRN COc1ccc(C)cc1/C=C/C(=O)N1CCCC[C@@H]1C(N)=O ZINC000159865847 290764025 /nfs/dbraw/zinc/76/40/25/290764025.db2.gz KZJZEMFELBPWRR-RCQQVGEISA-N 0 0 302.374 1.883 20 70 DDIDRN 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322.748 1.899 20 70 DDIDRN COc1cccc(Cl)c1CC(=O)NCCCn1ccnn1 ZINC000161029848 526093295 /nfs/dbraw/zinc/09/32/95/526093295.db2.gz LHLBBHOWHIHDKM-UHFFFAOYSA-N 0 0 308.769 1.689 20 70 DDIDRN O=C(NC[C@@H]1CCCS1(=O)=O)N1CCC[C@@H]1c1ccco1 ZINC000159665834 526525039 /nfs/dbraw/zinc/52/50/39/526525039.db2.gz LOKFIKZCJHZDIT-NWDGAFQWSA-N 0 0 312.391 1.703 20 70 DDIDRN O=C(NC[C@@H]1CN(C2CC2)CCO1)c1ccc2nccnc2c1 ZINC000160410452 526550979 /nfs/dbraw/zinc/55/09/79/526550979.db2.gz VUTREJVEQRLNTQ-CQSZACIVSA-N 0 0 312.373 1.223 20 70 DDIDRN O=C(NC[C@H]1CN(C2CC2)CCO1)[C@H]1COc2ccccc21 ZINC000160362032 526621939 /nfs/dbraw/zinc/62/19/39/526621939.db2.gz KEDZAFQXLAXWPZ-ZFWWWQNUSA-N 0 0 302.374 1.142 20 70 DDIDRN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000160469651 526939433 /nfs/dbraw/zinc/93/94/33/526939433.db2.gz UXPDUJZQDIHSSB-BARDWOONSA-N 0 0 321.421 1.397 20 70 DDIDRN CNC(=O)[C@H]1CN(C(=O)Nc2ccnc(C)c2Cl)CCO1 ZINC000159553161 539218825 /nfs/dbraw/zinc/21/88/25/539218825.db2.gz 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