smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H](C(N)=O)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000159637215 361755576 /nfs/dbraw/zinc/75/55/76/361755576.db2.gz CVOGBPQMCIYERK-GDBMZVCRSA-N 0 0 274.364 1.424 20 70 CDIDRN O=C(CCCn1cccc1)NC[C@@H]1CCC[C@H]1O ZINC000159725946 361813701 /nfs/dbraw/zinc/81/37/01/361813701.db2.gz KQIDJDRRLGUYDK-QWHCGFSZSA-N 0 0 250.342 1.546 20 70 CDIDRN CC(C)OC(=O)CCCNC(=O)N[C@@H]1CCCSC1 ZINC000159800784 361863949 /nfs/dbraw/zinc/86/39/49/361863949.db2.gz BTTTZZVIDPBSIY-LLVKDONJSA-N 0 0 288.413 1.913 20 70 CDIDRN CCCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 ZINC000159871647 361889391 /nfs/dbraw/zinc/88/93/91/361889391.db2.gz XETKCZZMVUJFGG-UHFFFAOYSA-N 0 0 263.341 1.981 20 70 CDIDRN C[C@@H]1CC[C@H](C(=O)NC[C@@H](CO)c2ccccc2)O1 ZINC000159880779 361898385 /nfs/dbraw/zinc/89/83/85/361898385.db2.gz OBZLUZMQZQZGCN-KWCYVHTRSA-N 0 0 263.337 1.446 20 70 CDIDRN CCC(=O)N1CCCN(C(=O)CO[C@H](C)CC)CC1 ZINC000159918569 361937686 /nfs/dbraw/zinc/93/76/86/361937686.db2.gz WMWDFOBCBONMMC-GFCCVEGCSA-N 0 0 270.373 1.272 20 70 CDIDRN CCC(C)(CC)C(=O)NCC1CCS(=O)(=O)CC1 ZINC000159385136 539114123 /nfs/dbraw/zinc/11/41/23/539114123.db2.gz RCNKGVVQMNCXQG-UHFFFAOYSA-N 0 0 275.414 1.754 20 70 CDIDRN CC(C)[C@H](O)CNC(=O)c1n[nH]c2c1CCCC2 ZINC000159750869 539114665 /nfs/dbraw/zinc/11/46/65/539114665.db2.gz MRDYYYVFAVCCMG-LLVKDONJSA-N 0 0 251.330 1.035 20 70 CDIDRN CCNC(=O)CNC(=O)[C@@H](C)Cc1cccc(Cl)c1 ZINC000160272539 539115740 /nfs/dbraw/zinc/11/57/40/539115740.db2.gz OSYAVRQTMCSNJX-JTQLQIEISA-N 0 0 282.771 1.771 20 70 CDIDRN C[C@@H](CC(=O)N(C)CCn1cccn1)c1ccncc1 ZINC000160543309 539116096 /nfs/dbraw/zinc/11/60/96/539116096.db2.gz MKVMQYPIZZLOEI-ZDUSSCGKSA-N 0 0 272.352 1.930 20 70 CDIDRN COCCN(CC(C)C)c1cc(COC)nc2ncnn21 ZINC000160913687 539117018 /nfs/dbraw/zinc/11/70/18/539117018.db2.gz SARPYKQAIJAJPD-UHFFFAOYSA-N 0 0 293.371 1.380 20 70 CDIDRN 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CC1(C)C(C(=O)N2CC[C@H]3NC(=O)CC[C@H]3C2)C1(C)C ZINC000160652141 346188429 /nfs/dbraw/zinc/18/84/29/346188429.db2.gz JTAYNIJKZFOVBD-WDEREUQCSA-N 0 0 278.396 1.796 20 70 CDIDRN CCC[C@@H](C)NC(=O)[C@@H](C)N(CC)Cc1cnn(C)c1 ZINC000161116796 362674718 /nfs/dbraw/zinc/67/47/18/362674718.db2.gz QGWSUXZDRSGDPV-CHWSQXEVSA-N 0 0 280.416 1.935 20 70 CDIDRN CC1(O)CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000161217712 362704162 /nfs/dbraw/zinc/70/41/62/362704162.db2.gz HUZORSDRJPXGGN-UHFFFAOYSA-N 0 0 273.340 1.009 20 70 CDIDRN Cn1ncc(C(=O)N2CCC(C)(O)CC2)c1-n1cccc1 ZINC000161256695 362921151 /nfs/dbraw/zinc/92/11/51/362921151.db2.gz TZIFCDQAZBQDGB-UHFFFAOYSA-N 0 0 288.351 1.198 20 70 CDIDRN C[C@@H](C(=O)OC(C)(C)C)N(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000159510222 295805816 /nfs/dbraw/zinc/80/58/16/295805816.db2.gz UEKUXEHZNHOEDU-VWYCJHECSA-N 0 0 271.357 1.743 20 70 CDIDRN O=C(N[C@H]1CCC[C@@H]1O)c1cc(-c2ccco2)on1 ZINC000161245146 365966707 /nfs/dbraw/zinc/96/67/07/365966707.db2.gz BQIVMCOOFDSBQL-WPRPVWTQSA-N 0 0 262.265 1.578 20 70 CDIDRN C[C@@H]1CC(=O)CC[C@H]1C(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000159641238 363096268 /nfs/dbraw/zinc/09/62/68/363096268.db2.gz LJAZLOIGLWCDHK-IEBDPFPHSA-N 0 0 268.357 1.008 20 70 CDIDRN CC(C)CN(CC(N)=O)C(=O)c1cncc2ccccc21 ZINC000159693919 363202499 /nfs/dbraw/zinc/20/24/99/363202499.db2.gz IFHYCLVFBRGOKL-UHFFFAOYSA-N 0 0 285.347 1.818 20 70 CDIDRN O=S(=O)(C[C@H]1CCCCO1)NCc1ccncc1 ZINC000159514778 188429569 /nfs/dbraw/zinc/42/95/69/188429569.db2.gz VCYZVDDCDAKSSD-GFCCVEGCSA-N 0 0 270.354 1.070 20 70 CDIDRN C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)[C@H](C)CO ZINC000160326927 188466103 /nfs/dbraw/zinc/46/61/03/188466103.db2.gz XPMVXNGUDHHKKH-NXEZZACHSA-N 0 0 265.309 1.205 20 70 CDIDRN COc1ccc(C(C)=O)cc1CC(=O)NC[C@H](C)CO ZINC000160440727 188472734 /nfs/dbraw/zinc/47/27/34/188472734.db2.gz MGIJXPYSXWDFNM-JTQLQIEISA-N 0 0 279.336 1.185 20 70 CDIDRN CS[C@@H](CO)[C@H](C)NC(=O)NCCc1ccccn1 ZINC000160772469 188490147 /nfs/dbraw/zinc/49/01/47/188490147.db2.gz MGRHAXJIQWVNAM-JQWIXIFHSA-N 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CDIDRN CCOc1ccc(CNC(=O)NCCCOC)cc1 ZINC000217300752 358993600 /nfs/dbraw/zinc/99/36/00/358993600.db2.gz GLIIJZMFGIWYPY-UHFFFAOYSA-N 0 0 266.341 1.921 20 70 CDIDRN CCCOC(=O)[C@@H](C)N1CCC(c2nc(C)no2)CC1 ZINC000159495778 361720127 /nfs/dbraw/zinc/72/01/27/361720127.db2.gz BUZUSHGURNNMPM-SNVBAGLBSA-N 0 0 281.356 1.899 20 70 CDIDRN CCC[C@@](C)(CO)NC(=O)c1ccc2nnc(C)n2c1 ZINC000159557113 361729038 /nfs/dbraw/zinc/72/90/38/361729038.db2.gz RUEFUAGZXLTESY-AWEZNQCLSA-N 0 0 276.340 1.319 20 70 CDIDRN CCC(=O)N1CC[C@H](NC(=O)NCc2ncccc2F)C1 ZINC000160491042 363930097 /nfs/dbraw/zinc/93/00/97/363930097.db2.gz KMFIUASSSKUYEN-JTQLQIEISA-N 0 0 294.330 1.031 20 70 CDIDRN CN(Cc1ccccn1)C(=O)CNC(=O)CC1CCCC1 ZINC000160631418 364105433 /nfs/dbraw/zinc/10/54/33/364105433.db2.gz LRDLUNZDYYSLEW-UHFFFAOYSA-N 0 0 289.379 1.737 20 70 CDIDRN C[C@@H](O)CN(C)[C@@H]1CCN(c2c(F)cccc2F)C1=O ZINC000159568158 364234640 /nfs/dbraw/zinc/23/46/40/364234640.db2.gz CJHDBROSCZXKJL-BXKDBHETSA-N 0 0 284.306 1.383 20 70 CDIDRN 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CCCC1(CNC(=O)Cn2c(C)cc(O)cc2=O)CC1 ZINC000160466935 364357421 /nfs/dbraw/zinc/35/74/21/364357421.db2.gz HTGSDWJSFHRIDZ-UHFFFAOYSA-N 0 0 278.352 1.559 20 70 CDIDRN CNS(=O)(=O)N(C)Cc1cc(Br)cs1 ZINC000160621211 364382418 /nfs/dbraw/zinc/38/24/18/364382418.db2.gz FSUNKYGWUFHAQY-UHFFFAOYSA-N 0 0 299.215 1.407 20 70 CDIDRN C[C@H]1CCN(C(=O)c2cccc3[nH]c(=O)oc32)[C@H]1C ZINC000160700337 364397068 /nfs/dbraw/zinc/39/70/68/364397068.db2.gz CHBIMLPBKQHFML-IUCAKERBSA-N 0 0 260.293 1.992 20 70 CDIDRN O=C(NC[C@H]1CCCC[C@@H]1O)[C@@H]1OCCc2ccccc21 ZINC000160725097 364401021 /nfs/dbraw/zinc/40/10/21/364401021.db2.gz LGLAJUDOOCTHRD-VNQPRFMTSA-N 0 0 289.375 1.968 20 70 CDIDRN CCc1ncsc1C(=O)N1CCN(C[C@@H](C)O)[C@@H](C)C1 ZINC000160989567 364437273 /nfs/dbraw/zinc/43/72/73/364437273.db2.gz STQDPRQKIMBWPW-WDEREUQCSA-N 0 0 297.424 1.233 20 70 CDIDRN CCC(=O)N1CC[C@H](C(=O)N(C)CCc2ccncc2)C1 ZINC000161048291 364441359 /nfs/dbraw/zinc/44/13/59/364441359.db2.gz YXPRKEOFMDEQSI-AWEZNQCLSA-N 0 0 289.379 1.341 20 70 CDIDRN CCOC(=O)CCCn1ccc(C(=O)OC(C)C)cc1=O ZINC000161037740 364442000 /nfs/dbraw/zinc/44/20/00/364442000.db2.gz FFVHNDUZJJBYGX-UHFFFAOYSA-N 0 0 295.335 1.757 20 70 CDIDRN Cc1cc(C[C@@H](C)NC(=O)C2(O)CCCC2)[nH]n1 ZINC000161064930 364442581 /nfs/dbraw/zinc/44/25/81/364442581.db2.gz RKWVUBDPTMQKHS-SECBINFHSA-N 0 0 251.330 1.070 20 70 CDIDRN Cn1ccnc1[C@@H](O)C1CCN(C(=O)NC(C)(C)C)CC1 ZINC000161154969 364455591 /nfs/dbraw/zinc/45/55/91/364455591.db2.gz XZBHHBQUBWKSLL-LBPRGKRZSA-N 0 0 294.399 1.674 20 70 CDIDRN CC(C)CSCCCNC(=O)CCn1cncn1 ZINC000160875383 364422684 /nfs/dbraw/zinc/42/26/84/364422684.db2.gz HLJYXZWSWPRQAF-UHFFFAOYSA-N 0 0 270.402 1.564 20 70 CDIDRN NC(=O)COc1ccc(NC(=O)[C@@H]2CCCCO2)cc1 ZINC000160880348 364422694 /nfs/dbraw/zinc/42/26/94/364422694.db2.gz ZKWDAFPXSAVYOD-LBPRGKRZSA-N 0 0 278.308 1.058 20 70 CDIDRN CNC(=O)CNC(=O)c1cnc2c(C)cc(C)cc2c1O ZINC000161275565 364473496 /nfs/dbraw/zinc/47/34/96/364473496.db2.gz MAOJWOZUYNDIEU-UHFFFAOYSA-N 0 0 287.319 1.033 20 70 CDIDRN 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CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(CC)C1 ZINC000159521750 361726516 /nfs/dbraw/zinc/72/65/16/361726516.db2.gz MWHKFGZXNRDQOA-TUAOUCFPSA-N 0 0 252.358 1.550 20 70 CDIDRN C[C@H](CO)CNC(=O)CCCNC(=O)NC1CCCCC1 ZINC000160452099 363873519 /nfs/dbraw/zinc/87/35/19/363873519.db2.gz OHACDDUJLSZKHL-LBPRGKRZSA-N 0 0 299.415 1.143 20 70 CDIDRN C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(=O)n1C ZINC000159381614 364194635 /nfs/dbraw/zinc/19/46/35/364194635.db2.gz TURVJOSQBRFMGF-OCCSQVGLSA-N 0 0 292.379 1.710 20 70 CDIDRN CNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(F)c1F ZINC000159425690 364204791 /nfs/dbraw/zinc/20/47/91/364204791.db2.gz SIIKHQOSUVTGSX-YUMQZZPRSA-N 0 0 285.294 1.460 20 70 CDIDRN C[C@@H](CCO)NC(=O)NC[C@@H]1CCOc2ccccc21 ZINC000159467447 364212347 /nfs/dbraw/zinc/21/23/47/364212347.db2.gz BAMRGOOFUVPFOR-RYUDHWBXSA-N 0 0 278.352 1.623 20 70 CDIDRN CON(C)C(=O)C[C@H](NC(C)=O)c1ccc(F)cc1F ZINC000159578008 364236525 /nfs/dbraw/zinc/23/65/25/364236525.db2.gz NOWNBIMJEJQTJQ-LBPRGKRZSA-N 0 0 286.278 1.552 20 70 CDIDRN Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](C(N)=O)C(C)(C)C ZINC000159639244 364246088 /nfs/dbraw/zinc/24/60/88/364246088.db2.gz DHVMUJVAGUTVFQ-SDBXPKJASA-N 0 0 294.399 1.536 20 70 CDIDRN C[C@@H](O)C[C@@H](C)CNC(=O)c1cccc2[nH]cnc21 ZINC000159650698 364248198 /nfs/dbraw/zinc/24/81/98/364248198.db2.gz FBIZAPKQWGIWRW-NXEZZACHSA-N 0 0 261.325 1.700 20 70 CDIDRN CCC[C@@](C)(O)C(=O)Nc1cccc(-n2ccnn2)c1 ZINC000159713434 364255942 /nfs/dbraw/zinc/25/59/42/364255942.db2.gz DVKZMZKZCAWCCH-CQSZACIVSA-N 0 0 274.324 1.757 20 70 CDIDRN COC[C@@H](O)CNC(=O)c1sccc1OC(F)F ZINC000159532390 364229058 /nfs/dbraw/zinc/22/90/58/364229058.db2.gz VMIILSXZEHLEJC-LURJTMIESA-N 0 0 281.280 1.087 20 70 CDIDRN COc1cc(NC(=O)N2CCOCC2)ccc1F ZINC000160229678 364321578 /nfs/dbraw/zinc/32/15/78/364321578.db2.gz OBOGCIPQGXPQBM-UHFFFAOYSA-N 0 0 254.261 1.698 20 70 CDIDRN C[C@@H](CO)N(C)C(=O)CCOCc1ccccc1 ZINC000160389269 364343465 /nfs/dbraw/zinc/34/34/65/364343465.db2.gz NWTMBOSXNPRCCX-LBPRGKRZSA-N 0 0 251.326 1.433 20 70 CDIDRN CCC[C@@H](C)c1cc([N-]S(=O)(=O)CCOC)n[nH]1 ZINC000159888008 364278097 /nfs/dbraw/zinc/27/80/97/364278097.db2.gz UPDAIUFXCCKWGV-SECBINFHSA-N 0 0 275.374 1.701 20 70 CDIDRN Cc1cc(NC(=O)NCC2(CO)COC2)cnc1Cl ZINC000159991712 364291392 /nfs/dbraw/zinc/29/13/92/364291392.db2.gz BBTVQEGGTQSUDH-UHFFFAOYSA-N 0 0 285.731 1.174 20 70 CDIDRN CCOC(=O)NCCCC(=O)Nc1nnc(C)s1 ZINC000160162873 364311944 /nfs/dbraw/zinc/31/19/44/364311944.db2.gz SAMWESXNAYKJEN-UHFFFAOYSA-N 0 0 272.330 1.311 20 70 CDIDRN C[C@H](CO)N(C)C(=O)CSCc1ccccn1 ZINC000160474196 364357293 /nfs/dbraw/zinc/35/72/93/364357293.db2.gz QHDYUZDDLZPKPS-SNVBAGLBSA-N 0 0 254.355 1.154 20 70 CDIDRN COc1ccc([C@@H](C)CCNC(=O)[C@@H]2COCCN2)cc1 ZINC000160550590 364372733 /nfs/dbraw/zinc/37/27/33/364372733.db2.gz HBXZGEIUOZQJIJ-WFASDCNBSA-N 0 0 292.379 1.293 20 70 CDIDRN Cc1conc1NC(=O)C(=O)NC[C@@H]1CCC[C@H](C)C1 ZINC000160718865 364400724 /nfs/dbraw/zinc/40/07/24/364400724.db2.gz IEERUBYTWJRLIL-GXSJLCMTSA-N 0 0 279.340 1.864 20 70 CDIDRN CCCN(CCO)C(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160404644 364347867 /nfs/dbraw/zinc/34/78/67/364347867.db2.gz NYGRYIORQIMTAB-UHFFFAOYSA-N 0 0 294.277 1.682 20 70 CDIDRN C[C@H](CO)CNC(=O)CCCOCCc1ccccc1 ZINC000160427029 364350454 /nfs/dbraw/zinc/35/04/54/364350454.db2.gz LGWCCVSLOKUTRR-AWEZNQCLSA-N 0 0 279.380 1.771 20 70 CDIDRN CS[C@H](C)CC(=O)NCC(=O)Nc1ccccc1 ZINC000160425128 364350641 /nfs/dbraw/zinc/35/06/41/364350641.db2.gz LCXJAZONYFVIQT-SNVBAGLBSA-N 0 0 266.366 1.883 20 70 CDIDRN CCC[C@H](O)CNC(=O)Cc1nc(C)sc1C ZINC000160424605 364351364 /nfs/dbraw/zinc/35/13/64/364351364.db2.gz ORHUNIFOGQZJDC-JTQLQIEISA-N 0 0 256.371 1.580 20 70 CDIDRN CCOc1ccccc1CNC(=O)C[C@H]1COC(=O)C1 ZINC000161015933 364438662 /nfs/dbraw/zinc/43/86/62/364438662.db2.gz GGVKLRVXNYEFMA-LLVKDONJSA-N 0 0 277.320 1.655 20 70 CDIDRN Cc1cccc(OC[C@H](C)NC(=O)C[C@@H]2COC(=O)C2)c1 ZINC000161110650 364449120 /nfs/dbraw/zinc/44/91/20/364449120.db2.gz COQOKHHYSYCTRU-STQMWFEESA-N 0 0 291.347 1.832 20 70 CDIDRN Cc1nc(Cl)ccc1C(=O)NC[C@H]1CCOC1 ZINC000161108316 364449185 /nfs/dbraw/zinc/44/91/85/364449185.db2.gz JYGKEOSNPUIBOM-SECBINFHSA-N 0 0 254.717 1.810 20 70 CDIDRN COC[C@H](O)CCNC(=O)c1ccccc1OC(C)C ZINC000160859627 364421131 /nfs/dbraw/zinc/42/11/31/364421131.db2.gz FEGFNCLESNOEBL-GFCCVEGCSA-N 0 0 281.352 1.601 20 70 CDIDRN Cc1ccn(C)c(=O)c1NC(=O)NOCC(C)C ZINC000160900898 364424523 /nfs/dbraw/zinc/42/45/23/364424523.db2.gz WKMNGSNNDLQCQU-UHFFFAOYSA-N 0 0 253.302 1.403 20 70 CDIDRN COc1ccc(N(C)S(=O)(=O)CCCF)c(OC)c1 ZINC000160910623 364424956 /nfs/dbraw/zinc/42/49/56/364424956.db2.gz ITKABQINJUBGOB-UHFFFAOYSA-N 0 0 291.344 1.829 20 70 CDIDRN CC(C)CS(=O)(=O)CCC(=O)Nc1cccc(F)n1 ZINC000160924584 364427536 /nfs/dbraw/zinc/42/75/36/364427536.db2.gz HXTJLWLDOQDCAH-UHFFFAOYSA-N 0 0 288.344 1.620 20 70 CDIDRN CCN(C)C(=O)c1cccc(C(=O)NC[C@H](C)CCO)c1 ZINC000160924667 364427597 /nfs/dbraw/zinc/42/75/97/364427597.db2.gz LMUGEWCMPAUEKV-GFCCVEGCSA-N 0 0 292.379 1.527 20 70 CDIDRN CCc1ncsc1C(=O)NC[C@@H]1CCC[C@@H]1O ZINC000161171473 364458175 /nfs/dbraw/zinc/45/81/75/364458175.db2.gz SGJHTRWAARSRTA-WPRPVWTQSA-N 0 0 254.355 1.596 20 70 CDIDRN CCc1ncc(NC(=O)N[C@H](C)C2CCOCC2)cn1 ZINC000161198547 364462938 /nfs/dbraw/zinc/46/29/38/364462938.db2.gz HOJDQAUKPVDGCB-SNVBAGLBSA-N 0 0 278.356 1.976 20 70 CDIDRN CSc1cc(C(=O)N2CCNC(=O)[C@H]2C)ccc1F ZINC000161229942 364467533 /nfs/dbraw/zinc/46/75/33/364467533.db2.gz IBVFYEVVPAEQHV-MRVPVSSYSA-N 0 0 282.340 1.508 20 70 CDIDRN O=C(NCCO)N[C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000161292288 364475239 /nfs/dbraw/zinc/47/52/39/364475239.db2.gz CKKNNKQDGQZTMX-TZMCWYRMSA-N 0 0 278.352 1.446 20 70 CDIDRN CCC(=O)c1cccc(NC(=O)[C@@H]2CCC(=O)N2)c1 ZINC000161327766 364479643 /nfs/dbraw/zinc/47/96/43/364479643.db2.gz LSYDNKLZPVDXCD-NSHDSACASA-N 0 0 260.293 1.496 20 70 CDIDRN O=C(N[C@@H]1CCN(c2ccccn2)C1)c1ccccc1O ZINC000161366584 364484199 /nfs/dbraw/zinc/48/41/99/364484199.db2.gz HRCTXJYTOHHCRS-GFCCVEGCSA-N 0 0 283.331 1.796 20 70 CDIDRN COCc1ccc([C@@H]2CCCN2C(=O)[C@@H](C)NC(N)=O)o1 ZINC000161416172 364490838 /nfs/dbraw/zinc/49/08/38/364490838.db2.gz GSMTWVIEMWSEIS-KOLCDFICSA-N 0 0 295.339 1.146 20 70 CDIDRN CS[C@@H](C)CC(=O)Nc1cccnc1-n1cncn1 ZINC000161428564 364491951 /nfs/dbraw/zinc/49/19/51/364491951.db2.gz AUESDQFCOXQHPE-VIFPVBQESA-N 0 0 277.353 1.742 20 70 CDIDRN COC[C@H](O)CCNC(=O)c1cnn(C(C)(C)C)c1C ZINC000161183744 364460952 /nfs/dbraw/zinc/46/09/52/364460952.db2.gz AHWRBGPMSSPFMC-LLVKDONJSA-N 0 0 283.372 1.074 20 70 CDIDRN CCOC(=O)C[C@H](C)NC(=O)c1cc(F)ccc1OC ZINC000160310658 364803468 /nfs/dbraw/zinc/80/34/68/364803468.db2.gz TVKZNKXHRKTEES-VIFPVBQESA-N 0 0 283.299 1.906 20 70 CDIDRN CC[C@H](NC(=O)[C@H]1CCN(C(C)=O)C1)c1c(C)noc1C ZINC000160570101 377087429 /nfs/dbraw/zinc/08/74/29/377087429.db2.gz FPZUKNMETMBVJY-STQMWFEESA-N 0 0 293.367 1.727 20 70 CDIDRN C[C@@H](CNS(=O)(=O)c1ccc(O)cc1)[NH+]1CCCC1 ZINC000161315988 377556193 /nfs/dbraw/zinc/55/61/93/377556193.db2.gz MCDAVTACKPSEII-NSHDSACASA-N 0 0 284.381 1.155 20 70 CDIDRN COCc1ccccc1CNC(=O)c1cc(C)ncn1 ZINC000161485582 377679908 /nfs/dbraw/zinc/67/99/08/377679908.db2.gz KBDBBYFMYVQCSJ-UHFFFAOYSA-N 0 0 271.320 1.861 20 70 CDIDRN COCCC1(C(=O)NCCC(=O)Nc2cccnc2)CC1 ZINC000161311114 533179943 /nfs/dbraw/zinc/17/99/43/533179943.db2.gz GKASYZDBIRMYFL-UHFFFAOYSA-N 0 0 291.351 1.343 20 70 CDIDRN Cc1n[nH]c(C)c1NC(=O)CNC(=O)CC1CCCC1 ZINC000160375099 391509060 /nfs/dbraw/zinc/50/90/60/391509060.db2.gz FNDGRVQLQQKCTG-UHFFFAOYSA-N 0 0 278.356 1.662 20 70 CDIDRN CN(C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)C1CC1 ZINC000160913052 391575611 /nfs/dbraw/zinc/57/56/11/391575611.db2.gz JVQVLHIHCVNYSK-UTUOFQBUSA-N 0 0 250.342 1.748 20 70 CDIDRN CC[C@@H]1CCC[C@H]1NC(=O)CCCN1C(=O)CNC1=O ZINC000159780406 139905947 /nfs/dbraw/zinc/90/59/47/139905947.db2.gz BJDOUQFEJKSSER-GHMZBOCLSA-N 0 0 281.356 1.013 20 70 CDIDRN CC[C@H](CCO)NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C ZINC000160137999 139909764 /nfs/dbraw/zinc/90/97/64/139909764.db2.gz CVOHFCHRCRRZLA-MISXGVKJSA-N 0 0 279.336 1.492 20 70 CDIDRN COc1ccc(NC(=O)CCOC[C@@H]2CCCO2)cc1N ZINC000161007693 139911961 /nfs/dbraw/zinc/91/19/61/139911961.db2.gz IKUTVGLTRJVWBT-LBPRGKRZSA-N 0 0 294.351 1.802 20 70 CDIDRN Cc1noc(C)c1CCS(=O)(=O)[C@@H]1CCO[C@H]1C ZINC000160022944 147706251 /nfs/dbraw/zinc/70/62/51/147706251.db2.gz FZPDGVJCUBCOPB-CMPLNLGQSA-N 0 0 273.354 1.426 20 70 CDIDRN COc1cccc(/C=C\C(=O)NCc2ncc[nH]2)c1 ZINC000217000054 262114027 /nfs/dbraw/zinc/11/40/27/262114027.db2.gz KWJQOEAQJSZXHE-WAYWQWQTSA-N 0 0 257.293 1.748 20 70 CDIDRN COCCN(CC(F)F)C(=O)NCCc1cscn1 ZINC000159503278 292760510 /nfs/dbraw/zinc/76/05/10/292760510.db2.gz PDVHKOFZOLJGPD-UHFFFAOYSA-N 0 0 293.339 1.609 20 70 CDIDRN Cc1c(/C=C/C(=O)Nc2c[nH]c(=O)c(C)c2)cnn1C ZINC000159587180 292762263 /nfs/dbraw/zinc/76/22/63/292762263.db2.gz HKGUFJFBZNBMKF-SNAWJCMRSA-N 0 0 272.308 1.377 20 70 CDIDRN CCS(=O)(=O)NCc1ccc(OCC2CC2)nc1 ZINC000159763764 292768212 /nfs/dbraw/zinc/76/82/12/292768212.db2.gz QXAGVTVTYYADCD-UHFFFAOYSA-N 0 0 270.354 1.310 20 70 CDIDRN CC(C)C[C@H](C)NC(=O)N[C@@H](C)CO[C@@H]1CCOC1 ZINC000160018854 292775837 /nfs/dbraw/zinc/77/58/37/292775837.db2.gz MKANHFHTWBJPLC-RWMBFGLXSA-N 0 0 272.389 1.914 20 70 CDIDRN Cc1nnc(NC(=O)c2cccc3[nH]c(=O)oc32)s1 ZINC000160163029 292779194 /nfs/dbraw/zinc/77/91/94/292779194.db2.gz KKGMFAWCIZAMQF-UHFFFAOYSA-N 0 0 276.277 1.533 20 70 CDIDRN CNC(=O)c1ccc(NC(=O)c2cnccn2)c(Cl)c1 ZINC000160347184 292784944 /nfs/dbraw/zinc/78/49/44/292784944.db2.gz FXHJOLZMHMWLAX-UHFFFAOYSA-N 0 0 290.710 1.742 20 70 CDIDRN C[C@@]1(O)CCCN(C(=O)NC[C@@H]2Cc3ccccc3O2)C1 ZINC000160390869 292785553 /nfs/dbraw/zinc/78/55/53/292785553.db2.gz PVQWSTDBMKXSPV-XJKSGUPXSA-N 0 0 290.363 1.547 20 70 CDIDRN CO[C@@]1(CNc2nccn3nc(C)cc23)CCOC1 ZINC000160633201 292791673 /nfs/dbraw/zinc/79/16/73/292791673.db2.gz GSYZALSJQBJEAY-CYBMUJFWSA-N 0 0 262.313 1.255 20 70 CDIDRN CC[C@H](CCO)NC(=O)Nc1cc(C(=O)OC)cs1 ZINC000160728260 292793506 /nfs/dbraw/zinc/79/35/06/292793506.db2.gz CPWDQVHWHYVHHX-SECBINFHSA-N 0 0 286.353 1.817 20 70 CDIDRN 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