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)COc1ccc([C@H](C)NC(=O)c2n[nH]c(=O)c3ccccc32)cc1 ZINC000159517078 495749683 /nfs/dbraw/zinc/74/96/83/495749683.db2.gz NXLHCCWNCVIEAD-AWEZNQCLSA-N 0 0 365.433 3.449 10 70 FGIERN COC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)cn1 ZINC000159686261 495786834 /nfs/dbraw/zinc/78/68/34/495786834.db2.gz YYVLEKCWJSPKGF-CQSZACIVSA-N 0 0 356.422 3.394 10 70 FGIERN CCC(=O)N1CSC[C@H]1C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159709842 495792364 /nfs/dbraw/zinc/79/23/64/495792364.db2.gz RDWQNGWSZUHGRP-PBHICJAKSA-N 0 0 364.511 3.210 10 70 FGIERN CC(C)COc1ccc([C@H](C)NC(=O)c2cnc3sccn3c2=O)cc1 ZINC000159737158 495797355 /nfs/dbraw/zinc/79/73/55/495797355.db2.gz FERPYNXOGXQHRC-ZDUSSCGKSA-N 0 0 371.462 3.282 10 70 FGIERN CNC(=O)COc1ccc(NC(=O)N2CCCC[C@@H]2c2ccc(C)o2)cc1 ZINC000159811471 495814338 /nfs/dbraw/zinc/81/43/38/495814338.db2.gz UOZRVTLQCRYGJA-QGZVFWFLSA-N 0 0 371.437 3.472 10 70 FGIERN COCc1nc2n(n1)CCC[C@@H]2N[C@H](C)c1cccc(Br)c1 ZINC000159817861 495815830 /nfs/dbraw/zinc/81/58/30/495815830.db2.gz DAWDULMXJDAAEE-RISCZKNCSA-N 0 0 365.275 3.373 10 70 FGIERN CC(C)COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)nnn3C)cc1 ZINC000159821746 495816866 /nfs/dbraw/zinc/81/68/66/495816866.db2.gz OFAYHNFLPJLHAP-AWEZNQCLSA-N 0 0 352.438 3.494 10 70 FGIERN Cc1nc(C)n(C[C@@H]2CCCN(Cc3noc(C4CCCCC4)n3)C2)n1 ZINC000159975106 495854197 /nfs/dbraw/zinc/85/41/97/495854197.db2.gz UGUYAKJWFKLCPD-MRXNPFEDSA-N 0 0 358.490 3.238 10 70 FGIERN NC(=O)CCN(Cc1ccccc1)C(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000160044492 495870531 /nfs/dbraw/zinc/87/05/31/495870531.db2.gz HKLZZDKXWWUIOD-IBGZPJMESA-N 0 0 369.440 3.290 10 70 FGIERN O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCN(CC(F)F)CC1 ZINC000160103706 495884039 /nfs/dbraw/zinc/88/40/39/495884039.db2.gz WKYUQKXGRKATDR-VXGBXAGGSA-N 0 0 357.367 3.090 10 70 FGIERN COc1ccc(CCCC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(OC)c1 ZINC000160117503 495887971 /nfs/dbraw/zinc/88/79/71/495887971.db2.gz AUVYZAOVKUSJDS-UWJYYQICSA-N 0 0 361.482 3.180 10 70 FGIERN CCc1n[nH]c(=O)c(CNC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)c1CC ZINC000160262931 495921104 /nfs/dbraw/zinc/92/11/04/495921104.db2.gz CPNXDJFYVOYVOX-ORAYPTAESA-N 0 0 368.481 3.333 10 70 FGIERN CCc1n[nH]c(=O)c(CNC(=O)N2CCCC[C@H]2c2ccc(C)o2)c1CC ZINC000160286512 495927071 /nfs/dbraw/zinc/92/70/71/495927071.db2.gz DMLBEXMPEOMTOO-KRWDZBQOSA-N 0 0 372.469 3.233 10 70 FGIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)NCC(C)(C)c1cccc(F)c1)CC2 ZINC000160331575 495937945 /nfs/dbraw/zinc/93/79/45/495937945.db2.gz ZXXZJSARICDTCE-MRXNPFEDSA-N 0 0 373.476 3.132 10 70 FGIERN CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(C)o1)c1ccc(F)cc1F ZINC000160466078 495968455 /nfs/dbraw/zinc/96/84/55/495968455.db2.gz MSQDOPQZYKVPMV-BZNIZROVSA-N 0 0 350.365 3.311 10 70 FGIERN C[C@@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)NC1(CO)CC1 ZINC000160821519 496048658 /nfs/dbraw/zinc/04/86/58/496048658.db2.gz VUJVSXHNLBAXID-JTQLQIEISA-N 0 0 369.252 3.446 10 70 FGIERN O=C(NCc1cccc(CN2CCOCC2)c1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160977772 496078826 /nfs/dbraw/zinc/07/88/26/496078826.db2.gz MLIBEAWHMKMEJO-NHCUHLMSSA-N 0 0 356.510 3.351 10 70 FGIERN O=C(CN1CC[C@]2(O)CCCC[C@@H]2C1)N(Cc1ccco1)c1ccccc1 ZINC000161130483 496110070 /nfs/dbraw/zinc/11/00/70/496110070.db2.gz DMOJVFNYXFDXKF-XMSQKQJNSA-N 0 0 368.477 3.440 10 70 FGIERN CCC[C@H](NC(=O)c1cn(C)nc1-c1ccccc1)C(=O)OC(C)(C)C ZINC000161339383 496155685 /nfs/dbraw/zinc/15/56/85/496155685.db2.gz UBEQDPWKGJXFPE-INIZCTEOSA-N 0 0 357.454 3.327 10 70 FGIERN O=C(Nc1ccc(Br)c(Cl)c1)N[C@@H]1CCCn2ncnc21 ZINC000161378963 496163435 /nfs/dbraw/zinc/16/34/35/496163435.db2.gz SHSCDHSIGFKQSC-LLVKDONJSA-N 0 0 370.638 3.351 10 70 FGIERN CCC[C@H](NC(=O)c1sc([C@H](C)OC)nc1C)C(=O)OC(C)(C)C ZINC000161387271 496165864 /nfs/dbraw/zinc/16/58/64/496165864.db2.gz DJEBCUBEYQVNEQ-RYUDHWBXSA-N 0 0 356.488 3.399 10 70 FGIERN CCC[C@H](NC(=O)C[C@H](C)NC(=O)C1CCCCC1)C(=O)OC(C)(C)C ZINC000161509921 496188381 /nfs/dbraw/zinc/18/83/81/496188381.db2.gz ZNXGOBXZVMXAKK-HOCLYGCPSA-N 0 0 368.518 3.088 10 70 FGIERN COc1cccc(Cl)c1CC(=O)N1CCC[C@H](Cc2noc(C)n2)C1 ZINC000159564428 495760742 /nfs/dbraw/zinc/76/07/42/495760742.db2.gz MFTXBLKYGSTJLR-CYBMUJFWSA-N 0 0 363.845 3.064 10 70 FGIERN CC(C)(C)c1nsc(N2CCc3c(cccc3N3CCOC3=O)C2)n1 ZINC000159732923 495797257 /nfs/dbraw/zinc/79/72/57/495797257.db2.gz BZRMJRIHPCNEOJ-UHFFFAOYSA-N 0 0 358.467 3.355 10 70 FGIERN Cc1cccnc1[C@@H](NC(=O)N[C@H]1CCc2nc(C(C)C)nn2C1)C(C)C ZINC000160111329 495886293 /nfs/dbraw/zinc/88/62/93/495886293.db2.gz HNHSUNTVQYKOQV-RDJZCZTQSA-N 0 0 370.501 3.116 10 70 FGIERN CCc1n[nH]c(=O)c(CNC(=O)N2CCCC[C@@H]2c2ccc(C)o2)c1CC ZINC000160286382 495926985 /nfs/dbraw/zinc/92/69/85/495926985.db2.gz DMLBEXMPEOMTOO-QGZVFWFLSA-N 0 0 372.469 3.233 10 70 FGIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N[C@H](Cc1ccccc1)C1CC1)CC2 ZINC000160445803 495965165 /nfs/dbraw/zinc/96/51/65/495965165.db2.gz DUMVDAFEFMKGQZ-QZTJIDSGSA-N 0 0 367.497 3.037 10 70 FGIERN O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)N1CCO[C@H](c2nccs2)C1 ZINC000160967412 496077084 /nfs/dbraw/zinc/07/70/84/496077084.db2.gz ULVMTFNHZPKPNI-ZACQAIPSSA-N 0 0 373.478 3.146 10 70 FGIERN CCCCCNC(=O)CN1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161173177 496120159 /nfs/dbraw/zinc/12/01/59/496120159.db2.gz YGYCIQVEGZCECZ-HZPDHXFCSA-N 0 0 358.404 3.120 10 70 FGIERN COC(=O)[C@@H]1CCCN(C(=O)CCCc2ccccc2Br)C1 ZINC000161375023 496162272 /nfs/dbraw/zinc/16/22/72/496162272.db2.gz OTPIURREINWHBI-CQSZACIVSA-N 0 0 368.271 3.183 10 70 FGIERN O=C(c1c[nH]nc1-c1cccc(Cl)c1)N1CC[C@@H](Oc2cccnc2)C1 ZINC000161412735 496171391 /nfs/dbraw/zinc/17/13/91/496171391.db2.gz ZYNWOWRGUUROLO-MRXNPFEDSA-N 0 0 368.824 3.419 10 70 FGIERN Cc1ccc(C[C@H](C)NC(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)s1 ZINC000161478829 496183905 /nfs/dbraw/zinc/18/39/05/496183905.db2.gz SJAHHVPLAFVXOF-GXTWGEPZSA-N 0 0 361.515 3.017 10 70 FGIERN CC(C)CCn1ccc(NC(=O)N2CCC[C@@H](Cc3nccn3C)C2)n1 ZINC000159521921 495750917 /nfs/dbraw/zinc/75/09/17/495750917.db2.gz FGPULXHGKHCGTJ-INIZCTEOSA-N 0 0 358.490 3.149 10 70 FGIERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N[C@H]1CCCc2cc(F)ccc21 ZINC000159641827 495777430 /nfs/dbraw/zinc/77/74/30/495777430.db2.gz RTNOELWYAMALGV-HNNXBMFYSA-N 0 0 355.369 3.356 10 70 FGIERN COC(=O)[C@@H]1CCCN(C(=O)N[C@@H](C)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000159689610 495787656 /nfs/dbraw/zinc/78/76/56/495787656.db2.gz ZLNYUIYPKKAMRG-GXTWGEPZSA-N 0 0 372.387 3.231 10 70 FGIERN Cn1c(SCc2nnc(C3CC3)n2C)nnc1-c1cccc(Cl)c1 ZINC000159753936 495801326 /nfs/dbraw/zinc/80/13/26/495801326.db2.gz VYRWWKCOZQKIDE-UHFFFAOYSA-N 0 0 360.874 3.434 10 70 FGIERN C[NH+](C)C[C@H]1CN(C(=O)c2ccccc2NCCC2=CCCCC2)CCO1 ZINC000160452080 495966523 /nfs/dbraw/zinc/96/65/23/495966523.db2.gz XRYSCZVUXGRTBF-IBGZPJMESA-N 0 0 371.525 3.392 10 70 FGIERN C[C@H](NC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000160722324 496028856 /nfs/dbraw/zinc/02/88/56/496028856.db2.gz SKKZWXBPAVTDLA-NHYWBVRUSA-N 0 0 366.824 3.413 10 70 FGIERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](CCC(C)C)C(C)(C)C ZINC000160847954 496053297 /nfs/dbraw/zinc/05/32/97/496053297.db2.gz FJFSEMLOBSTTJY-CABCVRRESA-N 0 0 365.522 3.410 10 70 FGIERN COC(=O)C[C@@H](NC(=O)Nc1ccn(CCC(C)C)n1)c1ccccc1 ZINC000161023358 496087683 /nfs/dbraw/zinc/08/76/83/496087683.db2.gz VTJMFHILTREKQD-MRXNPFEDSA-N 0 0 358.442 3.355 10 70 FGIERN CC1(C)C[C@H](NC(=O)NCCCNc2ccccn2)c2ccccc2O1 ZINC000161037817 496089726 /nfs/dbraw/zinc/08/97/26/496089726.db2.gz HPXNECWOBKMMCT-INIZCTEOSA-N 0 0 354.454 3.485 10 70 FGIERN Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCN2CCCC[C@@H]2C1 ZINC000161043081 496091201 /nfs/dbraw/zinc/09/12/01/496091201.db2.gz VWJYCLUYSLIHDQ-OAHLLOKOSA-N 0 0 358.873 3.144 10 70 FGIERN O[C@H]1C[C@H](c2cccc(C(F)(F)F)c2)N(Cc2cn3cccnc3n2)C1 ZINC000161043938 496092569 /nfs/dbraw/zinc/09/25/69/496092569.db2.gz HVXAWVGTNMCOFT-JKSUJKDBSA-N 0 0 362.355 3.056 10 70 FGIERN CCCC[C@@H](NC(=O)c1cccc(C(=O)N(C)C)c1)C(=O)OC(C)(C)C ZINC000161152995 496115796 /nfs/dbraw/zinc/11/57/96/496115796.db2.gz DUHFEPFEHKWZET-MRXNPFEDSA-N 0 0 362.470 3.019 10 70 FGIERN CCC[C@@H](NC(=O)Nc1nnc(C(F)(F)F)s1)C(=O)OC(C)(C)C ZINC000161340324 496155335 /nfs/dbraw/zinc/15/53/35/496155335.db2.gz LUZRPSMDOJIGBL-SSDOTTSWSA-N 0 0 368.381 3.189 10 70 FGIERN CCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)C(=O)OC(C)(C)C ZINC000161346573 496155872 /nfs/dbraw/zinc/15/58/72/496155872.db2.gz NCVHYRZRYNPAGC-HUUCEWRRSA-N 0 0 368.518 3.040 10 70 FGIERN CCC[C@@H](NC(=O)c1nnn(-c2ccc(C)cc2)c1C)C(=O)OC(C)(C)C ZINC000161350813 496157919 /nfs/dbraw/zinc/15/79/19/496157919.db2.gz IIGMRDSUBDJXEX-MRXNPFEDSA-N 0 0 372.469 3.124 10 70 FGIERN CCC[C@@H](NC(=O)c1sc([C@@H](C)OC)nc1C)C(=O)OC(C)(C)C ZINC000161387131 496166210 /nfs/dbraw/zinc/16/62/10/496166210.db2.gz DJEBCUBEYQVNEQ-VXGBXAGGSA-N 0 0 356.488 3.399 10 70 FGIERN CCC[C@H](NC(=O)c1ccc(F)c(NC(C)=O)c1)C(=O)OC(C)(C)C ZINC000161432931 496175484 /nfs/dbraw/zinc/17/54/84/496175484.db2.gz OOFQDTAAGNPCFV-AWEZNQCLSA-N 0 0 352.406 3.024 10 70 FGIERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(Cc1ccccc1)C(C)C)CC2 ZINC000161444353 496177921 /nfs/dbraw/zinc/17/79/21/496177921.db2.gz WXKQFAOBJPJQSX-KRWDZBQOSA-N 0 0 355.486 3.337 10 70 FGIERN Cn1nccc1C1CCN(C(=O)NCCCc2c[nH]c3ccccc23)CC1 ZINC000159394240 495723890 /nfs/dbraw/zinc/72/38/90/495723890.db2.gz AIKDPSALARPEJQ-UHFFFAOYSA-N 0 0 365.481 3.423 10 70 FGIERN Cc1nc(C[C@H]2CCCN(C(=O)Nc3ccc4oc(C)nc4c3)C2)no1 ZINC000159395842 495724428 /nfs/dbraw/zinc/72/44/28/495724428.db2.gz DTIJKQIBRQSYIM-CYBMUJFWSA-N 0 0 355.398 3.314 10 70 FGIERN CCC(CC)(CC)CNC(=O)N1CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000159521031 495751069 /nfs/dbraw/zinc/75/10/69/495751069.db2.gz ZZNTWZUNYZPBAL-UHFFFAOYSA-N 0 0 363.550 3.081 10 70 FGIERN Cc1sc(=O)n(CC(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)c1C ZINC000159586990 495764037 /nfs/dbraw/zinc/76/40/37/495764037.db2.gz VZTURUINQKQVOM-ZDUSSCGKSA-N 0 0 362.495 3.439 10 70 FGIERN O=C(Nc1ccc2c(c1)OCC(=O)N2)N[C@@H]1CCCc2cc(F)ccc21 ZINC000159641675 495777300 /nfs/dbraw/zinc/77/73/00/495777300.db2.gz RTNOELWYAMALGV-OAHLLOKOSA-N 0 0 355.369 3.356 10 70 FGIERN Cc1nsc(N2CCCN(c3ccnc4c(F)cc(F)cc34)CC2)n1 ZINC000159743288 495798991 /nfs/dbraw/zinc/79/89/91/495798991.db2.gz WLVQWPRNHLQCQK-UHFFFAOYSA-N 0 0 361.421 3.390 10 70 FGIERN O=C(N[C@@H](Cc1ccccc1)C(=O)NCC1(C2CC2)CC1)c1cccs1 ZINC000159829961 495818834 /nfs/dbraw/zinc/81/88/34/495818834.db2.gz JZLKVLVWDUEPNN-KRWDZBQOSA-N 0 0 368.502 3.396 10 70 FGIERN CCn1cc(C2CCN(C(=O)N[C@@H]3CCC[C@@H](SC)C3)CC2)cn1 ZINC000160274653 495924990 /nfs/dbraw/zinc/92/49/90/495924990.db2.gz CLOPQEHJKRHSLV-IAGOWNOFSA-N 0 0 350.532 3.466 10 70 FGIERN Cn1cc([C@H]2CCN(C(=O)NCc3cccc(-c4ccccn4)c3)C2)cn1 ZINC000160317390 495933740 /nfs/dbraw/zinc/93/37/40/495933740.db2.gz MVYVJDPNWQZTQM-SFHVURJKSA-N 0 0 361.449 3.181 10 70 FGIERN O=C(NCCCS(=O)(=O)Cc1ccccc1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160429814 495961398 /nfs/dbraw/zinc/96/13/98/495961398.db2.gz FDWSBQHAYYSZFI-MOPGFXCFSA-N 0 0 363.523 3.324 10 70 FGIERN CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cnc3c(c2)ncn3C)CC1 ZINC000160621250 496004864 /nfs/dbraw/zinc/00/48/64/496004864.db2.gz HZFAKQSJVXCNBK-PREGVCBESA-N 0 0 356.470 3.168 10 70 FGIERN CCCC1(CNC(=O)[C@@H]2CSCN2C(=O)c2c[nH]c3ccccc23)CC1 ZINC000160750085 496034563 /nfs/dbraw/zinc/03/45/63/496034563.db2.gz BJOLTXJUFBLEJV-KRWDZBQOSA-N 0 0 371.506 3.380 10 70 FGIERN O=C(Nc1cccnc1)N1C[C@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160813334 496047384 /nfs/dbraw/zinc/04/73/84/496047384.db2.gz IRILFYGFDVHAKI-HUUCEWRRSA-N 0 0 351.328 3.440 10 70 FGIERN O=C(N[C@H]1CCc2cc(Cl)ccc21)N1CCCN(CC(F)F)CC1 ZINC000160908573 496065964 /nfs/dbraw/zinc/06/59/64/496065964.db2.gz ZNHGUYWAMAXPHE-HNNXBMFYSA-N 0 0 357.832 3.310 10 70 FGIERN CCc1csc([C@@H]2CCCN(C(=O)NCC3(CCOC)CC3)C2)n1 ZINC000161179655 496121313 /nfs/dbraw/zinc/12/13/13/496121313.db2.gz LMMHFMLTIZZULC-CQSZACIVSA-N 0 0 351.516 3.411 10 70 FGIERN CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N[C@H]1CCOC2(CCCC2)C1 ZINC000161377900 496163385 /nfs/dbraw/zinc/16/33/85/496163385.db2.gz NNRUGUIUZSOUSQ-ROUUACIJSA-N 0 0 358.482 3.049 10 70 FGIERN CCC[C@@H](NC(=O)c1cn(-c2ccccc2)nc1C)C(=O)OC(C)(C)C ZINC000161452866 496179453 /nfs/dbraw/zinc/17/94/53/496179453.db2.gz GOMDDDRXWCRHKP-QGZVFWFLSA-N 0 0 357.454 3.421 10 70 FGIERN Nc1ccc2c(c1)CCC[C@H]2Nc1ncc(I)cn1 ZINC000159500961 495746082 /nfs/dbraw/zinc/74/60/82/495746082.db2.gz QFUSSVGUEBLXPQ-CYBMUJFWSA-N 0 0 366.206 3.153 10 70 FGIERN Cc1noc([C@H](C)N2CCN(C(=O)CC/C=C/c3ccccc3)CC2)n1 ZINC000159705360 495792088 /nfs/dbraw/zinc/79/20/88/495792088.db2.gz JYJWEILBTHRGPE-DHINHOHASA-N 0 0 354.454 3.077 10 70 FGIERN O=C(NCc1ccnc(OC2CCCC2)c1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000160095375 495883146 /nfs/dbraw/zinc/88/31/46/495883146.db2.gz AMFWVSAIAAHCKH-LAUBAEHRSA-N 0 0 373.497 3.240 10 70 FGIERN COc1ccc(C2(CNC(=O)C[C@H](O)C(C)C)CCCCC2)cc1OC ZINC000160128805 495891672 /nfs/dbraw/zinc/89/16/72/495891672.db2.gz LDDGJFBKJGECBZ-KRWDZBQOSA-N 0 0 363.498 3.429 10 70 FGIERN CC(C)n1nc(C(=O)N[C@H]2CCOC3(CCCC3)C2)c2ccccc2c1=O ZINC000160184392 495903109 /nfs/dbraw/zinc/90/31/09/495903109.db2.gz TWBAPPHEMRUAEB-HNNXBMFYSA-N 0 0 369.465 3.199 10 70 FGIERN CCn1cc(C2CCN(C(=O)N[C@H]3CCC[C@@H](SC)C3)CC2)cn1 ZINC000160274783 495924823 /nfs/dbraw/zinc/92/48/23/495924823.db2.gz CLOPQEHJKRHSLV-DLBZAZTESA-N 0 0 350.532 3.466 10 70 FGIERN COC(=O)[C@H]1C[C@@H]1C(=O)Nc1ccc2nc(Cc3ccccc3)oc2c1 ZINC000160495127 495976315 /nfs/dbraw/zinc/97/63/15/495976315.db2.gz MPKKTDAUIXLYGY-GJZGRUSLSA-N 0 0 350.374 3.166 10 70 FGIERN CCc1cccc(CC(=O)NC[C@H](c2ccc(C)s2)N2CCOCC2)c1 ZINC000160532068 495985591 /nfs/dbraw/zinc/98/55/91/495985591.db2.gz MWPTXSLNLGXDCW-LJQANCHMSA-N 0 0 372.534 3.351 10 70 FGIERN COC(=O)c1cc(CN2CCCC[C@H]2c2nnc3n2CCCC3)oc1C ZINC000160599364 496000293 /nfs/dbraw/zinc/00/02/93/496000293.db2.gz YGEWEKIFWHYPSK-INIZCTEOSA-N 0 0 358.442 3.030 10 70 FGIERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@H](C)CCC1CCCCC1 ZINC000160818999 496048739 /nfs/dbraw/zinc/04/87/39/496048739.db2.gz 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Cn1cnc2cc(C(=O)NC3(c4ccc(Cl)cc4)CCOCC3)cnc21 ZINC000160305668 495931948 /nfs/dbraw/zinc/93/19/48/495931948.db2.gz ARUFMEHGFKPHAW-UHFFFAOYSA-N 0 0 370.840 3.057 10 70 FGIERN O=C(NCCCS(=O)(=O)Cc1ccccc1)[C@H]1C[C@H]1C1CCCCC1 ZINC000160430083 495961511 /nfs/dbraw/zinc/96/15/11/495961511.db2.gz FDWSBQHAYYSZFI-OALUTQOASA-N 0 0 363.523 3.324 10 70 FGIERN CCCCNc1ccccc1C(=O)N[C@@H]1CCCN(c2cccnn2)C1 ZINC000160481730 495972199 /nfs/dbraw/zinc/97/21/99/495972199.db2.gz ZZSNXZGHMXUKOS-MRXNPFEDSA-N 0 0 353.470 3.087 10 70 FGIERN CCn1cc(C2CCN(C(=O)Nc3ccn(CC(F)(F)F)n3)CC2)cn1 ZINC000160741288 496032148 /nfs/dbraw/zinc/03/21/48/496032148.db2.gz YDHBVBGRZVAVPF-UHFFFAOYSA-N 0 0 370.379 3.073 10 70 FGIERN O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N[C@@H]1CCc2ncnn2C1 ZINC000160925376 496069045 /nfs/dbraw/zinc/06/90/45/496069045.db2.gz KPIKZSVQLCYKGQ-OAHLLOKOSA-N 0 0 367.384 3.346 10 70 FGIERN Cc1noc([C@@H]2COCCN2Cc2ccc(Cl)c(Br)c2)n1 ZINC000161052868 496093483 /nfs/dbraw/zinc/09/34/83/496093483.db2.gz QCXHSCZUVCRBMQ-ZDUSSCGKSA-N 0 0 372.650 3.367 10 70 FGIERN Cc1cccc(-c2ccc(CNC(=O)N[C@@H]3CCc4ncnn4C3)cc2)c1 ZINC000161114069 496106338 /nfs/dbraw/zinc/10/63/38/496106338.db2.gz BFFOHLGBRJGHRI-LJQANCHMSA-N 0 0 361.449 3.068 10 70 FGIERN Cc1cccc([C@H]2CCCCCN2C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000161191464 496123417 /nfs/dbraw/zinc/12/34/17/496123417.db2.gz OLBQFQYDLXVPKM-ZWKOTPCHSA-N 0 0 353.470 3.228 10 70 FGIERN C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161274560 496141793 /nfs/dbraw/zinc/14/17/93/496141793.db2.gz CLQLGCOPWZVQAI-PWSUYJOCSA-N 0 0 368.268 3.302 10 70 FGIERN COCc1ccc([C@H]2CCCN2C(=O)[C@H](C)NC(=O)Nc2ccccc2)o1 ZINC000161509845 496189099 /nfs/dbraw/zinc/18/90/99/496189099.db2.gz KYYBVYQQQGTSBE-WMLDXEAASA-N 0 0 371.437 3.300 10 70 FGIERN O=S(=O)(c1ccccc1C(F)(F)F)N1CCC(Cn2cccn2)CC1 ZINC000159429392 495731152 /nfs/dbraw/zinc/73/11/52/495731152.db2.gz KHFNKSZPBONHBW-UHFFFAOYSA-N 0 0 373.400 3.003 10 70 FGIERN CC(C)(C)c1nsc(N2CCCN(C(=O)c3cccs3)CC2)n1 ZINC000159445396 495734864 /nfs/dbraw/zinc/73/48/64/495734864.db2.gz VQUDETVNJRXPTI-UHFFFAOYSA-N 0 0 350.513 3.250 10 70 FGIERN CC(C)COc1ccc([C@H](C)NC(=O)c2sccc2-n2cnnn2)cc1 ZINC000159532041 495753495 /nfs/dbraw/zinc/75/34/95/495753495.db2.gz BXLOKQWGJXKKPL-ZDUSSCGKSA-N 0 0 371.466 3.250 10 70 FGIERN CC1(C)C[C@@H](NC(=O)Cc2cc3ccccc3[nH]c2=O)c2ccccc2O1 ZINC000159746602 495800521 /nfs/dbraw/zinc/80/05/21/495800521.db2.gz BWPCJQIMPJOQCB-GOSISDBHSA-N 0 0 362.429 3.489 10 70 FGIERN C[C@H]1CC[C@@H](NC(=O)c2cn(CC(=O)C(C)(C)C)nn2)c2ccccc21 ZINC000159756721 495802775 /nfs/dbraw/zinc/80/27/75/495802775.db2.gz NFSRWCITGUIIMN-XJKSGUPXSA-N 0 0 354.454 3.262 10 70 FGIERN COCc1nc2n(n1)CCC[C@H]2N[C@@H](C)c1cccc(Br)c1 ZINC000159817422 495815884 /nfs/dbraw/zinc/81/58/84/495815884.db2.gz DAWDULMXJDAAEE-SMDDNHRTSA-N 0 0 365.275 3.373 10 70 FGIERN C[C@@H](NC(=O)N[C@H]1CCc2n[nH]cc2C1)c1ccc(OC(F)(F)F)cc1 ZINC000159846816 495822917 /nfs/dbraw/zinc/82/29/17/495822917.db2.gz LOPPOEPMEBOFNN-MFKMUULPSA-N 0 0 368.359 3.226 10 70 FGIERN Cn1ccnc1[C@H](O)[C@@H]1CCCN(c2ccnc3c(F)cc(F)cc23)C1 ZINC000160027049 495866013 /nfs/dbraw/zinc/86/60/13/495866013.db2.gz RNKXGKWNIJXTBZ-KZULUSFZSA-N 0 0 358.392 3.197 10 70 FGIERN O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCCN(CC(F)F)CC1 ZINC000160103990 495884360 /nfs/dbraw/zinc/88/43/60/495884360.db2.gz WKYUQKXGRKATDR-NEPJUHHUSA-N 0 0 357.367 3.090 10 70 FGIERN COc1ccc(N(C)C(=O)[C@H](NC(=O)CC(C)C)C(C)C)cc1Cl ZINC000160124649 495890147 /nfs/dbraw/zinc/89/01/47/495890147.db2.gz NMIVCOLHLFIHSY-QGZVFWFLSA-N 0 0 354.878 3.498 10 70 FGIERN COc1ccc(NC(=O)N2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1F ZINC000160558198 495991337 /nfs/dbraw/zinc/99/13/37/495991337.db2.gz AIYUZJBXYMMWDR-BLLLJJGKSA-N 0 0 366.339 3.452 10 70 FGIERN C[C@@H](CC(=O)N1CCC[C@@H]1C(=O)N(C)C)c1ccc(Br)cc1 ZINC000160801879 496045473 /nfs/dbraw/zinc/04/54/73/496045473.db2.gz XVUKJYHWRYFICS-SWLSCSKDSA-N 0 0 367.287 3.022 10 70 FGIERN O=C(Nc1cccnc1)N1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160813101 496048057 /nfs/dbraw/zinc/04/80/57/496048057.db2.gz IRILFYGFDVHAKI-LSDHHAIUSA-N 0 0 351.328 3.440 10 70 FGIERN Cc1cnn([C@@H]2CCCN(C(=O)N[C@H]3CCO[C@H](c4ccccc4)C3)C2)c1 ZINC000160839171 496052005 /nfs/dbraw/zinc/05/20/05/496052005.db2.gz KXVKHHKBBPBCCK-ZCNNSNEGSA-N 0 0 368.481 3.458 10 70 FGIERN COC(=O)c1csc(NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)c1 ZINC000160955764 496074152 /nfs/dbraw/zinc/07/41/52/496074152.db2.gz RVEYXMJNWGSTPH-CYBMUJFWSA-N 0 0 362.455 3.254 10 70 FGIERN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)N[C@H]1CCCC[C@H]1O ZINC000161003503 496083223 /nfs/dbraw/zinc/08/32/23/496083223.db2.gz UFTWSLKODHSSPA-LSDHHAIUSA-N 0 0 368.359 3.316 10 70 FGIERN O=C(Nc1cnn(-c2ccc(C(F)(F)F)cc2)c1)N[C@@H]1CCCC[C@@H]1O ZINC000161003154 496083359 /nfs/dbraw/zinc/08/33/59/496083359.db2.gz UFTWSLKODHSSPA-CABCVRRESA-N 0 0 368.359 3.316 10 70 FGIERN Cc1cccc([C@H]2CCCCCN2C(=O)N[C@@H]2CCc3ncnn3C2)c1 ZINC000161191231 496123603 /nfs/dbraw/zinc/12/36/03/496123603.db2.gz OLBQFQYDLXVPKM-QZTJIDSGSA-N 0 0 353.470 3.228 10 70 FGIERN Cc1cccc([C@@H]2CCCCCN2C(=O)N[C@H]2CCc3ncnn3C2)c1 ZINC000161191347 496123722 /nfs/dbraw/zinc/12/37/22/496123722.db2.gz OLBQFQYDLXVPKM-ROUUACIJSA-N 0 0 353.470 3.228 10 70 FGIERN CCCCN(Cc1ccccc1Cl)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161200170 496125957 /nfs/dbraw/zinc/12/59/57/496125957.db2.gz GXEIVOIUFJHYAH-HNNXBMFYSA-N 0 0 361.877 3.258 10 70 FGIERN CCCCCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCc2ncnn2C1 ZINC000161338728 496154958 /nfs/dbraw/zinc/15/49/58/496154958.db2.gz JIWQAVYLQBHNDS-KRWDZBQOSA-N 0 0 359.449 3.134 10 70 FGIERN Cc1cc(O)cc(=O)n1CC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000161416974 496172597 /nfs/dbraw/zinc/17/25/97/496172597.db2.gz SOJFWXVKBGSABS-MRXNPFEDSA-N 0 0 362.429 3.407 10 70 FGIERN CCN(Cc1ccccc1C)C(=O)N[C@H]1CCc2nc(C(C)C)nn2C1 ZINC000161423286 496173497 /nfs/dbraw/zinc/17/34/97/496173497.db2.gz AWKHHKRILRXEKJ-KRWDZBQOSA-N 0 0 355.486 3.256 10 70 FGIERN CCCNC(=O)c1cccc(C(=O)N[C@@H](CCC)C(=O)OC(C)(C)C)c1 ZINC000161507769 496188459 /nfs/dbraw/zinc/18/84/59/496188459.db2.gz KBRXZNZKTGCTRV-INIZCTEOSA-N 0 0 362.470 3.067 10 70 FGIERN COc1ccc2cccc(CC(=O)N3CC[C@H](Oc4cccnc4)C3)c2c1 ZINC000159451554 495735824 /nfs/dbraw/zinc/73/58/24/495735824.db2.gz BFCYWGHOCQGBRZ-FQEVSTJZSA-N 0 0 362.429 3.466 10 70 FGIERN CCn1cc(C2CCN(C(=O)NC[C@H]3CCOc4ccccc43)CC2)cn1 ZINC000159462597 495737897 /nfs/dbraw/zinc/73/78/97/495737897.db2.gz LGEXGFGWELEAKT-QGZVFWFLSA-N 0 0 368.481 3.358 10 70 FGIERN NC(=O)CCOc1ccccc1NC(=O)N[C@H]1CCCc2cc(F)ccc21 ZINC000159499318 495746516 /nfs/dbraw/zinc/74/65/16/495746516.db2.gz ZYXWHWZFDOFPKR-INIZCTEOSA-N 0 0 371.412 3.279 10 70 FGIERN CCc1ccc([C@@H](C)CC(=O)N2CCN([C@@H](C)c3nc(C)no3)CC2)cc1 ZINC000159709131 495792112 /nfs/dbraw/zinc/79/21/12/495792112.db2.gz RVYIAZAGNXXFLY-HOTGVXAUSA-N 0 0 370.497 3.339 10 70 FGIERN CCn1cc(C2CCN(C(=O)NC[C@H](C)Oc3ccccc3)CC2)cn1 ZINC000159934881 495844204 /nfs/dbraw/zinc/84/42/04/495844204.db2.gz OUJBBMIDXLJZFU-INIZCTEOSA-N 0 0 356.470 3.260 10 70 FGIERN CCc1nc(C2(NC(=O)Nc3ccn(CCC(C)C)n3)CCCC2)no1 ZINC000159945575 495847028 /nfs/dbraw/zinc/84/70/28/495847028.db2.gz MHKVYUYHXGKJCH-UHFFFAOYSA-N 0 0 360.462 3.466 10 70 FGIERN O=C(NCc1cccc(-c2ccccn2)c1)N1CCC[C@@H]1Cn1ccnc1 ZINC000160332839 495937281 /nfs/dbraw/zinc/93/72/81/495937281.db2.gz GJIIAHKJPIEGCM-LJQANCHMSA-N 0 0 361.449 3.319 10 70 FGIERN C[C@@H](NC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1)[C@@H]1CCCO1 ZINC000160722448 496028383 /nfs/dbraw/zinc/02/83/83/496028383.db2.gz SKKZWXBPAVTDLA-ABAIWWIYSA-N 0 0 366.824 3.413 10 70 FGIERN C[C@@H]1CC[C@H](NC(=O)NCCNC(=O)c2ccccc2F)c2ccccc21 ZINC000160788301 496042192 /nfs/dbraw/zinc/04/21/92/496042192.db2.gz SKTVMTHNXJDPFM-KUHUBIRLSA-N 0 0 369.440 3.493 10 70 FGIERN C[C@H]1CC[C@H](NC(=O)NCCNC(=O)c2ccccc2F)c2ccccc21 ZINC000160788401 496042411 /nfs/dbraw/zinc/04/24/11/496042411.db2.gz SKTVMTHNXJDPFM-LIRRHRJNSA-N 0 0 369.440 3.493 10 70 FGIERN Cc1cc(C(=O)CN2CC[C@]3(O)CCCC[C@@H]3C2)c(C)n1-c1nccs1 ZINC000160869037 496057966 /nfs/dbraw/zinc/05/79/66/496057966.db2.gz ORNWKTMIRCDLKZ-OXQOHEQNSA-N 0 0 373.522 3.360 10 70 FGIERN O=C(Nc1ccc(SC2CCCC2)cc1)N[C@H]1CCc2ncnn2C1 ZINC000160974965 496077727 /nfs/dbraw/zinc/07/77/27/496077727.db2.gz CAMMRGREFNCFGM-AWEZNQCLSA-N 0 0 357.483 3.449 10 70 FGIERN CC1CCN(C(=O)CN2C[C@@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)CC1 ZINC000161049977 496093176 /nfs/dbraw/zinc/09/31/76/496093176.db2.gz BIFRNDVDARRIAT-DLBZAZTESA-N 0 0 370.415 3.072 10 70 FGIERN CCc1ncsc1C(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000161050977 496093385 /nfs/dbraw/zinc/09/33/85/496093385.db2.gz CNCHFRUIWCLQGB-YHWZYXNKSA-N 0 0 365.499 3.366 10 70 FGIERN Cc1noc([C@@H]2COCCN2Cc2nc(-c3ccc(C(C)C)cc3)no2)n1 ZINC000161181715 496121795 /nfs/dbraw/zinc/12/17/95/496121795.db2.gz UFSMLPOSRNDOKW-INIZCTEOSA-N 0 0 369.425 3.125 10 70 FGIERN CCC[C@@H](NC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)C(=O)OC(C)(C)C ZINC000161281435 496143182 /nfs/dbraw/zinc/14/31/82/496143182.db2.gz VTQMBVXDYCFWAS-QGZVFWFLSA-N 0 0 370.449 3.486 10 70 FGIERN CNc1cc(N2CCC[C@H]2CNC(=O)CC[C@@H](C)c2ccccc2)ncn1 ZINC000161340421 496155635 /nfs/dbraw/zinc/15/56/35/496155635.db2.gz PZBXMMJMSLJVOK-AEFFLSMTSA-N 0 0 367.497 3.187 10 70 FGIERN CCC[C@@H](NC(=O)c1cccc(C(=O)N(C)CC)c1)C(=O)OC(C)(C)C ZINC000161370577 496161762 /nfs/dbraw/zinc/16/17/62/496161762.db2.gz PEKVPDHVEYWZEF-MRXNPFEDSA-N 0 0 362.470 3.019 10 70 FGIERN CCC[C@H](NC(=O)c1sc([C@@H](C)OC)nc1C)C(=O)OC(C)(C)C ZINC000161386999 496166359 /nfs/dbraw/zinc/16/63/59/496166359.db2.gz DJEBCUBEYQVNEQ-NEPJUHHUSA-N 0 0 356.488 3.399 10 70 FGIERN Cc1c(C(=O)N2CC[C@@H](Oc3cccnc3)C2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000161422055 496173870 /nfs/dbraw/zinc/17/38/70/496173870.db2.gz ZMJSVTTYLIBEQG-OAHLLOKOSA-N 0 0 367.449 3.167 10 70 FGIERN CCC[C@H](NC(=O)CSCc1c(C)noc1C)C(=O)OC(C)(C)C ZINC000161460970 496180750 /nfs/dbraw/zinc/18/07/50/496180750.db2.gz BKMKAYSGZIMTKM-AWEZNQCLSA-N 0 0 356.488 3.151 10 70 FGIERN COc1cc(Cl)ccc1CNC(=O)N1CCC(c2ccnn2C)CC1 ZINC000159415981 495728926 /nfs/dbraw/zinc/72/89/26/495728926.db2.gz ARFNUVQVMXTFFH-UHFFFAOYSA-N 0 0 362.861 3.171 10 70 FGIERN 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NPGBYEGPEDGVGT-MSOLQXFVSA-N 0 0 356.445 3.237 10 70 FGIERN C[C@H](CC(=O)NC[C@@H](C)N1CCOCC1)c1ccccc1C(F)(F)F ZINC000160211659 495910152 /nfs/dbraw/zinc/91/01/52/495910152.db2.gz PLKZEQAIZYPDHA-ZIAGYGMSSA-N 0 0 358.404 3.036 10 70 FGIERN C[C@H](CNC(=O)C[C@H](C)c1ccccc1C(F)(F)F)N1CCOCC1 ZINC000160211573 495910880 /nfs/dbraw/zinc/91/08/80/495910880.db2.gz PLKZEQAIZYPDHA-UONOGXRCSA-N 0 0 358.404 3.036 10 70 FGIERN c1cc2c(cc1CN1CCCC[C@@H]1c1nnc3n1CCCC3)OCCO2 ZINC000160606185 496001857 /nfs/dbraw/zinc/00/18/57/496001857.db2.gz MGWTXBBTFOEYDL-MRXNPFEDSA-N 0 0 354.454 3.113 10 70 FGIERN CCC[C@H](NC(=O)Nc1ccc(-c2ncn(C)n2)cc1)C(=O)OC(C)(C)C ZINC000160812472 496047963 /nfs/dbraw/zinc/04/79/63/496047963.db2.gz BYBIYKHINRYOSF-HNNXBMFYSA-N 0 0 373.457 3.114 10 70 FGIERN COCc1nc2n(n1)CCC[C@@H]2NC(=O)N[C@H](CCC(C)C)C(C)(C)C ZINC000160848353 496054483 /nfs/dbraw/zinc/05/44/83/496054483.db2.gz FJFSEMLOBSTTJY-LSDHHAIUSA-N 0 0 365.522 3.410 10 70 FGIERN CCS(=O)(=O)c1cccc(CC(=O)N[C@@H](C)c2ccc(C)c(F)c2)c1 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C[C@@H](C(=O)OC(C)(C)C)N(C)Cc1nc2cc(Br)ccc2[nH]1 ZINC000159990840 495858492 /nfs/dbraw/zinc/85/84/92/495858492.db2.gz AFLWEZIKQYTFFX-JTQLQIEISA-N 0 0 368.275 3.487 10 70 FGIERN O=C1CC[C@@H]2CN(c3ccnc4c(F)cc(F)cc34)CC[C@H]2N1C1CC1 ZINC000160088202 495881792 /nfs/dbraw/zinc/88/17/92/495881792.db2.gz PDMJUNKFGWHVAD-SJKOYZFVSA-N 0 0 357.404 3.493 10 70 FGIERN Cc1cccc(NC(=O)N2CCCN(Cc3cnn(C)c3)CC2)c1Cl ZINC000160269490 495923372 /nfs/dbraw/zinc/92/33/72/495923372.db2.gz DSLSUQZOVPVKPS-UHFFFAOYSA-N 0 0 361.877 3.122 10 70 FGIERN COC(=O)c1ccc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)cc1 ZINC000160585423 495996801 /nfs/dbraw/zinc/99/68/01/495996801.db2.gz INUPJKZGZYQJBK-QGZVFWFLSA-N 0 0 354.454 3.128 10 70 FGIERN c1cc(CN2CCCC[C@@H]2c2nnc3n2CCCC3)c2c(c1)OCCO2 ZINC000160606435 496002786 /nfs/dbraw/zinc/00/27/86/496002786.db2.gz SDYRAEAAAUSKTB-MRXNPFEDSA-N 0 0 354.454 3.113 10 70 FGIERN O=C(Nc1cc(Cl)ccc1N1CCCCC1)N[C@@H]1CCc2ncnn2C1 ZINC000160933482 496069922 /nfs/dbraw/zinc/06/99/22/496069922.db2.gz 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/nfs/dbraw/zinc/91/41/68/495914168.db2.gz JSWVZMPKJAZLAC-CXAGYDPISA-N 0 0 369.456 3.072 10 70 FGIERN CCCCNc1ccccc1C(=O)N[C@H]1CCCN(c2cccnn2)C1 ZINC000160481868 495972594 /nfs/dbraw/zinc/97/25/94/495972594.db2.gz ZZSNXZGHMXUKOS-INIZCTEOSA-N 0 0 353.470 3.087 10 70 FGIERN O=C(NCCOCc1ccc(Cl)cc1)N1CCC(c2cc[nH]n2)CC1 ZINC000160529102 495984620 /nfs/dbraw/zinc/98/46/20/495984620.db2.gz GOUFFCNKVPNIJP-UHFFFAOYSA-N 0 0 362.861 3.169 10 70 FGIERN O=C(Cc1cc2c(ccc3ccccc23)o1)N1CC[C@H](N2CCOCC2)C1 ZINC000160692212 496021976 /nfs/dbraw/zinc/02/19/76/496021976.db2.gz APWCJBWQGHADSB-KRWDZBQOSA-N 0 0 364.445 3.062 10 70 FGIERN CCCC(=O)Nc1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160767684 496038266 /nfs/dbraw/zinc/03/82/66/496038266.db2.gz PNDUUDLGEAGETR-DYESRHJHSA-N 0 0 373.497 3.262 10 70 FGIERN C[C@H](c1cc(Cl)ccc1Cl)n1nccc1NC(=O)N1CC[C@H](O)C1 ZINC000160815825 496047894 /nfs/dbraw/zinc/04/78/94/496047894.db2.gz DDBPDERGISPHAH-PWSUYJOCSA-N 0 0 369.252 3.398 10 70 FGIERN O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1CCc2ncnn2C1 ZINC000160958345 496074577 /nfs/dbraw/zinc/07/45/77/496074577.db2.gz YGSCGXDWOFQMKE-VIFPVBQESA-N 0 0 359.739 3.087 10 70 FGIERN COC(=O)c1occc1CN1C[C@@H](O)C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000161088377 496101117 /nfs/dbraw/zinc/10/11/17/496101117.db2.gz VTQZSGYSCYCMKV-LSDHHAIUSA-N 0 0 369.339 3.393 10 70 FGIERN CCCC[C@@H](NC(=O)c1c(C)nn(CC)c1Cl)C(=O)OC(C)(C)C ZINC000161151526 496114637 /nfs/dbraw/zinc/11/46/37/496114637.db2.gz CZBZZLIXOSXHFR-GFCCVEGCSA-N 0 0 357.882 3.495 10 70 FGIERN CCCCCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161338622 496155615 /nfs/dbraw/zinc/15/56/15/496155615.db2.gz JIWQAVYLQBHNDS-QGZVFWFLSA-N 0 0 359.449 3.134 10 70 FGIERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(Cc1cccc(F)c1)C1CC1)CC2 ZINC000161418916 496172055 /nfs/dbraw/zinc/17/20/55/496172055.db2.gz DMQNVGGKLTXOSM-INIZCTEOSA-N 0 0 371.460 3.230 10 70 FGIERN O=S(=O)(Cl)c1cc(I)ccc1C(F)(F)F ZINC000238571978 497348542 /nfs/dbraw/zinc/34/85/42/497348542.db2.gz POJXGEGBQAYGSO-UHFFFAOYSA-N 0 0 370.517 3.238 10 70 FGIERN O=C(c1cnccn1)N1CCC(Nc2ccnc3c(F)cc(F)cc23)CC1 ZINC000159562114 495759571 /nfs/dbraw/zinc/75/95/71/495759571.db2.gz FCGSEKHJQCBLLL-UHFFFAOYSA-N 0 0 369.375 3.020 10 70 FGIERN CCC(=O)N1CSC[C@@H]1C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000159709735 495792059 /nfs/dbraw/zinc/79/20/59/495792059.db2.gz RDWQNGWSZUHGRP-RHSMWYFYSA-N 0 0 364.511 3.210 10 70 FGIERN C[C@H]1CC[C@@H](NC(=O)Nc2ccc(OCC(N)=O)cc2)c2ccccc21 ZINC000159723802 495795493 /nfs/dbraw/zinc/79/54/93/495795493.db2.gz DQWLNHSKZUUHLD-SCLBCKFNSA-N 0 0 353.422 3.311 10 70 FGIERN CC(C)COc1ccc([C@H](C)NC(=O)CCS(=O)(=O)CC(C)C)cc1 ZINC000159755612 495802340 /nfs/dbraw/zinc/80/23/40/495802340.db2.gz HHKNFTQJFIEPNJ-INIZCTEOSA-N 0 0 369.527 3.360 10 70 FGIERN COc1cccc(-c2nc(C)c(C(=O)N3CC[C@]4(O)CCCC[C@H]4C3)[nH]2)c1 ZINC000159757875 495802807 /nfs/dbraw/zinc/80/28/07/495802807.db2.gz PWXXYWSPCMULPA-HRAATJIYSA-N 0 0 369.465 3.161 10 70 FGIERN CCc1ccc([C@@H](C)CC(=O)N2CCO[C@@H](Cn3cc(C)cn3)C2)cc1 ZINC000159897669 495834765 /nfs/dbraw/zinc/83/47/65/495834765.db2.gz FMNYNGPEHOZQKO-FXAWDEMLSA-N 0 0 355.482 3.175 10 70 FGIERN CCC[C@H](Nc1cc(C)nc2nc(C(F)(F)F)nn21)C(=O)OC(C)(C)C ZINC000159984113 495857260 /nfs/dbraw/zinc/85/72/60/495857260.db2.gz ZYUMETSLSDCGHA-JTQLQIEISA-N 0 0 373.379 3.374 10 70 FGIERN Cn1nccc1C1CCN(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1 ZINC000160446970 495965298 /nfs/dbraw/zinc/96/52/98/495965298.db2.gz QEEQFRYLHOWYJU-LJQANCHMSA-N 0 0 352.482 3.330 10 70 FGIERN O=C(Cc1cc2c(ccc3ccccc23)o1)N1CC[C@@H](N2CCOCC2)C1 ZINC000160692325 496021721 /nfs/dbraw/zinc/02/17/21/496021721.db2.gz APWCJBWQGHADSB-QGZVFWFLSA-N 0 0 364.445 3.062 10 70 FGIERN COC(=O)[C@@H]1CCCCN1C(=O)c1cc(C)nc(-c2ccc(Cl)cc2)n1 ZINC000160724691 496028433 /nfs/dbraw/zinc/02/84/33/496028433.db2.gz SIEJNZZBYOFZIM-INIZCTEOSA-N 0 0 373.840 3.273 10 70 FGIERN COCc1nc2n(n1)CCC[C@H]2NC(=O)N[C@@H](C)CCC1CCCCC1 ZINC000160818887 496048532 /nfs/dbraw/zinc/04/85/32/496048532.db2.gz DSFDEHGRODHCLD-GOEBONIOSA-N 0 0 363.506 3.308 10 70 FGIERN O=C(Nc1cc(-n2cnnn2)ccc1F)N[C@@H]1CCCc2cc(F)ccc21 ZINC000161099532 496102307 /nfs/dbraw/zinc/10/23/07/496102307.db2.gz SRTSKTAQNJFNPL-MRXNPFEDSA-N 0 0 370.363 3.140 10 70 FGIERN CCCC[C@@H](NC(=O)c1ccc(C(=O)NC2CC2)cc1)C(=O)OC(C)(C)C ZINC000161233331 496133605 /nfs/dbraw/zinc/13/36/05/496133605.db2.gz NLSZFPSPDALHCL-QGZVFWFLSA-N 0 0 374.481 3.209 10 70 FGIERN Cc1ccc([C@H](C)CNC(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000161431692 496176343 /nfs/dbraw/zinc/17/63/43/496176343.db2.gz LUIIICDDVUXVLK-WBVHZDCISA-N 0 0 355.486 3.128 10 70 FGIERN c1cnn(C[C@@H]2CN(c3nc4ccccc4c(-c4ccccc4)n3)CCO2)c1 ZINC000217044206 496993764 /nfs/dbraw/zinc/99/37/64/496993764.db2.gz LZCKLWMRLZFZKN-SFHVURJKSA-N 0 0 371.444 3.399 10 70 FGIERN CCc1ccc([C@H](C)CC(=O)N2CCO[C@@H](Cn3nc(C)cc3C)C2)cc1 ZINC000159715906 495792597 /nfs/dbraw/zinc/79/25/97/495792597.db2.gz RFJLNZRNJHJILK-IIBYNOLFSA-N 0 0 369.509 3.484 10 70 FGIERN COCc1nc2n(n1)CCC[C@@H]2N[C@@H](C)c1cccc(Br)c1 ZINC000159817725 495815893 /nfs/dbraw/zinc/81/58/93/495815893.db2.gz DAWDULMXJDAAEE-FZMZJTMJSA-N 0 0 365.275 3.373 10 70 FGIERN Cc1csc(N2CCC(C(=O)N[C@@H]3CCOC4(CCCC4)C3)CC2)n1 ZINC000159984543 495856970 /nfs/dbraw/zinc/85/69/70/495856970.db2.gz SMSRRHOQSMWAIC-MRXNPFEDSA-N 0 0 363.527 3.276 10 70 FGIERN Cc1cnn(C[C@H]2CN(Cc3ccc(C(=O)OC(C)(C)C)cc3)CCO2)c1 ZINC000159989644 495857963 /nfs/dbraw/zinc/85/79/63/495857963.db2.gz QYXJINPNPBDRSK-LJQANCHMSA-N 0 0 371.481 3.048 10 70 FGIERN CC(C)c1nc([C@H]2CCCN2C(=O)Nc2ccn(CC(F)(F)F)n2)no1 ZINC000160598532 496000785 /nfs/dbraw/zinc/00/07/85/496000785.db2.gz OTSBRUNPPRNXQT-SNVBAGLBSA-N 0 0 372.351 3.321 10 70 FGIERN COC(=O)[C@H]1CCCN1C(=O)C[C@H](C)c1ccc(Br)cc1 ZINC000160701927 496023306 /nfs/dbraw/zinc/02/33/06/496023306.db2.gz IYXVSYGVMQHNHF-SMDDNHRTSA-N 0 0 354.244 3.107 10 70 FGIERN COC(=O)C[C@H](NC(=O)c1csc([C@@H]2CCCO2)n1)c1ccccc1 ZINC000160774051 496039908 /nfs/dbraw/zinc/03/99/08/496039908.db2.gz BBKDWWWYMQYDJQ-ZFWWWQNUSA-N 0 0 360.435 3.029 10 70 FGIERN O=C(c1cccc(C[N@@H+]2CC[C@@]3(O)CCCC[C@@H]3C2)c1)N1CCCCC1 ZINC000160958439 496074858 /nfs/dbraw/zinc/07/48/58/496074858.db2.gz VTLSFHIVTIGUDM-IRLDBZIGSA-N 0 0 356.510 3.440 10 70 FGIERN COc1ccccc1-c1nc(CN2CCOC[C@H]2c2nc(C)no2)cs1 ZINC000161084189 496099827 /nfs/dbraw/zinc/09/98/27/496099827.db2.gz NQDDINUXBZWZIL-HNNXBMFYSA-N 0 0 372.450 3.084 10 70 FGIERN Cc1noc([C@H]2COCCN2Cc2csc(Nc3ccccc3C)n2)n1 ZINC000161093446 496101342 /nfs/dbraw/zinc/10/13/42/496101342.db2.gz OEXFSACBKKCODX-MRXNPFEDSA-N 0 0 371.466 3.460 10 70 FGIERN CCc1cc(=O)[nH]c(CN2C[C@H](O)C[C@@H]2c2cccc(C(F)(F)F)c2)n1 ZINC000161112576 496106308 /nfs/dbraw/zinc/10/63/08/496106308.db2.gz RXVFCCIMBQEHDA-HUUCEWRRSA-N 0 0 367.371 3.071 10 70 FGIERN CCC[C@@H](NC(=O)c1cccc(-c2nnc(C)o2)c1)C(=O)OC(C)(C)C ZINC000161342655 496155216 /nfs/dbraw/zinc/15/52/16/496155216.db2.gz MQBNESPHBVZVAL-OAHLLOKOSA-N 0 0 359.426 3.285 10 70 FGIERN O=C(CCNC(=O)N[C@H]1CCCc2cc(F)ccc21)NCc1ccccc1 ZINC000161375561 496162032 /nfs/dbraw/zinc/16/20/32/496162032.db2.gz LNKVHTRSZGZIQP-IBGZPJMESA-N 0 0 369.440 3.209 10 70 FGIERN Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000161396764 496167581 /nfs/dbraw/zinc/16/75/81/496167581.db2.gz ZOSUJOYOKHGFGJ-SJLPKXTDSA-N 0 0 369.513 3.297 10 70 FGIERN Brc1ccc2[nH]c(CN3CCC(Cn4cccn4)CC3)nc2c1 ZINC000159440852 495733467 /nfs/dbraw/zinc/73/34/67/495733467.db2.gz ANWNDVXNYLFJJF-UHFFFAOYSA-N 0 0 374.286 3.434 10 70 FGIERN CC(C)COc1ccc([C@@H](C)NC(=O)C(=O)Nc2ccnn2C(C)C)cc1 ZINC000159484993 495742385 /nfs/dbraw/zinc/74/23/85/495742385.db2.gz SZUGYWODAONYOX-OAHLLOKOSA-N 0 0 372.469 3.315 10 70 FGIERN CC(C)N(CC(F)F)C(=O)[C@@H]1CCC[C@@H]1C(=O)N(CC(F)F)C(C)C ZINC000159687750 495786820 /nfs/dbraw/zinc/78/68/20/495786820.db2.gz BQUHPXPCXXZAHG-BETUJISGSA-N 0 0 368.415 3.407 10 70 FGIERN CC(C)N(CC(F)F)C(=O)[C@H]1CCC[C@@H]1C(=O)N(CC(F)F)C(C)C ZINC000159687904 495786889 /nfs/dbraw/zinc/78/68/89/495786889.db2.gz BQUHPXPCXXZAHG-STQMWFEESA-N 0 0 368.415 3.407 10 70 FGIERN CC(C)COc1ccc([C@H](C)NC(=O)CNC(=O)c2ccccc2)cc1 ZINC000159724599 495795524 /nfs/dbraw/zinc/79/55/24/495795524.db2.gz JUOYYNQRHQZAJJ-INIZCTEOSA-N 0 0 354.450 3.329 10 70 FGIERN CC(C)COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)nnn3C)cc1 ZINC000159821584 495816610 /nfs/dbraw/zinc/81/66/10/495816610.db2.gz OFAYHNFLPJLHAP-CQSZACIVSA-N 0 0 352.438 3.494 10 70 FGIERN O=C(NCCc1nnc(-c2ccccc2)o1)N1CCC[C@@H]1c1ccco1 ZINC000159832060 495819620 /nfs/dbraw/zinc/81/96/20/495819620.db2.gz IPXZFVKVSSOBTN-OAHLLOKOSA-N 0 0 352.394 3.419 10 70 FGIERN COc1ccc(NC(=O)[C@@H]2C[C@@H]2C2CCCCC2)cc1NS(C)(=O)=O ZINC000159859652 495826652 /nfs/dbraw/zinc/82/66/52/495826652.db2.gz WAKJJRILTPNARN-HUUCEWRRSA-N 0 0 366.483 3.222 10 70 FGIERN O=C(NCc1ccnc(OC2CCCC2)c1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000160095218 495883225 /nfs/dbraw/zinc/88/32/25/495883225.db2.gz AMFWVSAIAAHCKH-UTKZUKDTSA-N 0 0 373.497 3.240 10 70 FGIERN O[C@]12CCCC[C@@H]1CN(Cc1nc3cc(Br)ccc3[nH]1)CC2 ZINC000160289540 495928311 /nfs/dbraw/zinc/92/83/11/495928311.db2.gz NOOCPNRAVVAUBB-PXAZEXFGSA-N 0 0 364.287 3.452 10 70 FGIERN CC(C)COc1ccc([C@@H](C)NC(=O)NCc2cccc(C(N)=O)c2)cc1 ZINC000160336550 495939201 /nfs/dbraw/zinc/93/92/01/495939201.db2.gz SZDITDTWPQCHHD-OAHLLOKOSA-N 0 0 369.465 3.381 10 70 FGIERN Cc1c(NC(=O)N[C@@H]2CCCn3ncnc32)cnn1-c1cc(C)ccc1C ZINC000160669335 496016286 /nfs/dbraw/zinc/01/62/86/496016286.db2.gz SOESGUXPVXUBHL-OAHLLOKOSA-N 0 0 365.441 3.046 10 70 FGIERN Cc1ccc([C@H](C)NC(=O)N2CCN(Cc3ccccn3)CC2)cc1F ZINC000160688629 496021050 /nfs/dbraw/zinc/02/10/50/496021050.db2.gz FOZAIJLRBLWGQD-INIZCTEOSA-N 0 0 356.445 3.118 10 70 FGIERN CCCC(=O)Nc1ccc(CNC(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cc1 ZINC000160767948 496038720 /nfs/dbraw/zinc/03/87/20/496038720.db2.gz PNDUUDLGEAGETR-LAUBAEHRSA-N 0 0 373.497 3.262 10 70 FGIERN C[C@H](CO)NC(=O)Nc1ccnn1[C@H](C)c1cc(Cl)ccc1Cl ZINC000160824584 496048461 /nfs/dbraw/zinc/04/84/61/496048461.db2.gz YLUMKKJQSSLWOF-NXEZZACHSA-N 0 0 357.241 3.302 10 70 FGIERN Cc1noc([C@H]2COCCN2Cc2csc(CCc3ccccc3)n2)n1 ZINC000160933772 496069697 /nfs/dbraw/zinc/06/96/97/496069697.db2.gz KYSQEBXMDUWMLN-QGZVFWFLSA-N 0 0 370.478 3.193 10 70 FGIERN O=C1[C@H](N2CC[C@]3(O)CCCC[C@@H]3C2)CCCN1c1ccccc1Cl ZINC000161007406 496084272 /nfs/dbraw/zinc/08/42/72/496084272.db2.gz PEVSIRDLRJQSAI-XFQXTVEOSA-N 0 0 362.901 3.462 10 70 FGIERN O[C@@H]1C[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2cn3cccnc3n2)C1 ZINC000161044102 496092138 /nfs/dbraw/zinc/09/21/38/496092138.db2.gz HVXAWVGTNMCOFT-CVEARBPZSA-N 0 0 362.355 3.056 10 70 FGIERN Cc1cccc(-c2ccc(CNC(=O)N[C@H]3CCc4ncnn4C3)cc2)c1 ZINC000161114179 496106541 /nfs/dbraw/zinc/10/65/41/496106541.db2.gz BFFOHLGBRJGHRI-IBGZPJMESA-N 0 0 361.449 3.068 10 70 FGIERN C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)N[C@@H]1CCc2ncnn2C1 ZINC000161274149 496141605 /nfs/dbraw/zinc/14/16/05/496141605.db2.gz CLQLGCOPWZVQAI-CMPLNLGQSA-N 0 0 368.268 3.302 10 70 FGIERN Cc1ccc(C[C@@H](C)N(C)C(=O)N[C@H]2CCc3nc(C(C)C)nn3C2)cc1 ZINC000161397005 496167384 /nfs/dbraw/zinc/16/73/84/496167384.db2.gz ZOSUJOYOKHGFGJ-AEFFLSMTSA-N 0 0 369.513 3.297 10 70 FGIERN CCN(Cc1ccccc1C)C(=O)N[C@@H]1CCc2nc(C(C)C)nn2C1 ZINC000161423144 496173764 /nfs/dbraw/zinc/17/37/64/496173764.db2.gz AWKHHKRILRXEKJ-QGZVFWFLSA-N 0 0 355.486 3.256 10 70 FGIERN CCC[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)C(=O)OC(C)(C)C ZINC000161437939 496175350 /nfs/dbraw/zinc/17/53/50/496175350.db2.gz ADVRUEISJYJMCQ-QGZVFWFLSA-N 0 0 374.481 3.049 10 70 FGIERN CCC[C@@H](NC(=O)c1cccnc1Br)C(=O)OC(C)(C)C ZINC000161470299 496182991 /nfs/dbraw/zinc/18/29/91/496182991.db2.gz DXOIQEAJSWPCSN-LLVKDONJSA-N 0 0 357.248 3.084 10 70 FGIERN O=C(Nc1ccnn1C[C@@H]1CCOC1)NC1CCC(C(F)(F)F)CC1 ZINC000159496884 495744956 /nfs/dbraw/zinc/74/49/56/495744956.db2.gz MOBQGYHFQGWIIY-HIFPTAJRSA-N 0 0 360.380 3.162 10 70 FGIERN C[C@H](C(=O)N[C@@H](C)c1ccccc1)N1CCO[C@]2(CCc3ccccc32)C1 ZINC000159551514 495757379 /nfs/dbraw/zinc/75/73/79/495757379.db2.gz RRGNFFAHUKHXQA-YZZKKUAISA-N 0 0 364.489 3.426 10 70 FGIERN CCc1ccc([C@@H](C)CC(=O)N2CCCN(Cc3noc(C)n3)CC2)cc1 ZINC000159745435 495800248 /nfs/dbraw/zinc/80/02/48/495800248.db2.gz AHSMLPFWGWNMCI-INIZCTEOSA-N 0 0 370.497 3.169 10 70 FGIERN C[C@H]1CC[C@H](NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)c2ccccc21 ZINC000159749294 495800365 /nfs/dbraw/zinc/80/03/65/495800365.db2.gz XZTGNUXGBNYIBD-KSSFIOAISA-N 0 0 374.444 3.340 10 70 FGIERN COc1ccc(CCCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(OC)c1 ZINC000160117176 495887505 /nfs/dbraw/zinc/88/75/05/495887505.db2.gz AUVYZAOVKUSJDS-DYESRHJHSA-N 0 0 361.482 3.180 10 70 FGIERN COc1ccc(N(C)C(=O)[C@@H](NC(=O)CC(C)C)C(C)C)cc1Cl ZINC000160124516 495890248 /nfs/dbraw/zinc/89/02/48/495890248.db2.gz NMIVCOLHLFIHSY-KRWDZBQOSA-N 0 0 354.878 3.498 10 70 FGIERN CC(C)COc1ccc([C@H](C)NC(=O)NCC(=O)N2CCCCC2)cc1 ZINC000160320280 495934915 /nfs/dbraw/zinc/93/49/15/495934915.db2.gz JXRSWHBENIZLNB-INIZCTEOSA-N 0 0 361.486 3.094 10 70 FGIERN O=C(N[C@@H]1CCO[C@H](C2CC2)C1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000160435204 495962624 /nfs/dbraw/zinc/96/26/24/495962624.db2.gz NDLSYSDIIOJAIH-WTGUMLROSA-N 0 0 358.482 3.242 10 70 FGIERN CCc1cc(=O)n2nc(N[C@H]3CCO[C@H](c4ccccc4)C3)sc2n1 ZINC000160579368 495995979 /nfs/dbraw/zinc/99/59/79/495995979.db2.gz VIJRTNHWDWBRJV-GJZGRUSLSA-N 0 0 356.451 3.046 10 70 FGIERN O=C(CN1CC[C@@]2(O)CCCC[C@@H]2C1)Nc1ccccc1C(F)(F)F ZINC000160634889 496008635 /nfs/dbraw/zinc/00/86/35/496008635.db2.gz IYPQLKVFLYYBIX-DYVFJYSZSA-N 0 0 356.388 3.271 10 70 FGIERN COC(=O)c1csc(NC(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c1 ZINC000160721547 496027499 /nfs/dbraw/zinc/02/74/99/496027499.db2.gz ASVMZKNIZJFOOC-LLVKDONJSA-N 0 0 364.427 3.410 10 70 FGIERN CCCC(=O)Nc1ccc(CNC(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)cc1 ZINC000160768081 496038831 /nfs/dbraw/zinc/03/88/31/496038831.db2.gz PNDUUDLGEAGETR-UWJYYQICSA-N 0 0 373.497 3.262 10 70 FGIERN Cn1nccc1C1CCN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000160857034 496054940 /nfs/dbraw/zinc/05/49/40/496054940.db2.gz ZAVPVDVCJXYFCY-ICSRJNTNSA-N 0 0 368.481 3.229 10 70 FGIERN Cc1noc([C@@H]2COCCN2Cc2csc(-c3ccc(C)cc3)n2)n1 ZINC000160906955 496065886 /nfs/dbraw/zinc/06/58/86/496065886.db2.gz HQGNJVOCRNIOHO-INIZCTEOSA-N 0 0 356.451 3.383 10 70 FGIERN Cc1noc([C@@H]2COCCN2Cc2csc(CCc3ccccc3)n2)n1 ZINC000160933642 496070631 /nfs/dbraw/zinc/07/06/31/496070631.db2.gz KYSQEBXMDUWMLN-KRWDZBQOSA-N 0 0 370.478 3.193 10 70 FGIERN Cc1noc([C@H]2COCCN2CCOc2cc(Cl)ccc2Cl)n1 ZINC000161082122 496098843 /nfs/dbraw/zinc/09/88/43/496098843.db2.gz COKHBKMCIPSYLB-CYBMUJFWSA-N 0 0 358.225 3.137 10 70 FGIERN CCOC(=O)c1c(C)oc2nc(CN3CCC[C@H]3c3ccco3)nc(N)c21 ZINC000161137091 496110795 /nfs/dbraw/zinc/11/07/95/496110795.db2.gz SNBYJVXREZVJPL-LBPRGKRZSA-N 0 0 370.409 3.220 10 70 FGIERN CCCC[C@@H](NC(=O)Cc1c(C)nn(C(F)F)c1C)C(=O)OC(C)(C)C ZINC000161151791 496116105 /nfs/dbraw/zinc/11/61/05/496116105.db2.gz ZYYSJPRHRXXATN-CQSZACIVSA-N 0 0 373.444 3.454 10 70 FGIERN Cn1c(=O)oc2cc(NC(=O)N[C@@H]3CCCc4cc(F)ccc43)ccc21 ZINC000161196104 496124823 /nfs/dbraw/zinc/12/48/23/496124823.db2.gz NJBAHTTWCZNSBH-OAHLLOKOSA-N 0 0 355.369 3.470 10 70 FGIERN CCC[C@H](NC(=O)[C@H]1CCCN1C(=O)CC(C)(C)C)C(=O)OC(C)(C)C ZINC000161346439 496156652 /nfs/dbraw/zinc/15/66/52/496156652.db2.gz NCVHYRZRYNPAGC-LSDHHAIUSA-N 0 0 368.518 3.040 10 70 FGIERN CC(C)c1nc2n(n1)C[C@@H](NC(=O)N(C)Cc1ccccc1Cl)CC2 ZINC000161425963 496174355 /nfs/dbraw/zinc/17/43/55/496174355.db2.gz DDXRPIXVPCYXAJ-AWEZNQCLSA-N 0 0 361.877 3.211 10 70 FGIERN CC(C)c1nc2n(n1)C[C@H](NC(=O)N(Cc1ccccc1)C(C)C)CC2 ZINC000161444223 496178182 /nfs/dbraw/zinc/17/81/82/496178182.db2.gz WXKQFAOBJPJQSX-QGZVFWFLSA-N 0 0 355.486 3.337 10 70 FGIERN CCC[C@H](NC(=O)c1cn(-c2ccccc2)nc1C)C(=O)OC(C)(C)C ZINC000161452734 496178967 /nfs/dbraw/zinc/17/89/67/496178967.db2.gz GOMDDDRXWCRHKP-KRWDZBQOSA-N 0 0 357.454 3.421 10 70 FGIERN O=S(=O)(Cl)c1cc(C(F)(F)F)ccc1I ZINC000135272436 495270768 /nfs/dbraw/zinc/27/07/68/495270768.db2.gz OVOOHOQPVXDJTL-UHFFFAOYSA-N 0 0 370.517 3.238 10 70 FGIERN CCCOc1ccc(CNC(=O)N2CCC(c3cnn(CC)c3)CC2)cn1 ZINC000159403238 495725696 /nfs/dbraw/zinc/72/56/96/495725696.db2.gz SVINRVBWFHRMMA-UHFFFAOYSA-N 0 0 371.485 3.176 10 70 FGIERN Cc1ccncc1NC(=O)C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000159485758 495742703 /nfs/dbraw/zinc/74/27/03/495742703.db2.gz UGDGVWFKACHJFC-HNNXBMFYSA-N 0 0 355.438 3.241 10 70 FGIERN CC(C)COc1ccc([C@@H](C)NC(=O)CNC(=O)c2cccs2)cc1 ZINC000159520701 495751325 /nfs/dbraw/zinc/75/13/25/495751325.db2.gz VYQFWCHBBRVGKK-CQSZACIVSA-N 0 0 360.479 3.390 10 70 FGIERN Cn1cc(CN2CCCN(Cc3ncc(-c4ccccc4)s3)CC2)cn1 ZINC000159960016 495850153 /nfs/dbraw/zinc/85/01/53/495850153.db2.gz OBMVRTABGRXGDM-UHFFFAOYSA-N 0 0 367.522 3.252 10 70 FGIERN O=C(N[C@H]1CCCN(c2cccc(F)c2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000160214931 495910872 /nfs/dbraw/zinc/91/08/72/495910872.db2.gz PKPGJFFEJWFYOX-KRWDZBQOSA-N 0 0 371.460 3.107 10 70 FGIERN O=C(CCN1CCCC[C@@H]1c1nnc2n1CCCC2)Nc1ccc(F)cc1 ZINC000160610009 496002830 /nfs/dbraw/zinc/00/28/30/496002830.db2.gz RIZIWVDGXQQHLA-QGZVFWFLSA-N 0 0 371.460 3.309 10 70 FGIERN 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