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356238628 /nfs/dbraw/zinc/23/86/28/356238628.db2.gz GEIFXDDBCVUSIN-UHFFFAOYSA-N 0 3 259.357 1.660 10 30 CDEEHN N#Cc1ccc(OC[C@@H](O)CN2CC[C@@H]2C2CC2)cc1 ZINC000584095251 366272112 /nfs/dbraw/zinc/27/21/12/366272112.db2.gz HDHIACXWAGLLNB-GOEBONIOSA-N 0 3 272.348 1.782 10 30 CDEEHN Cn1ccnc1[C@H]1CCN(C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528427518 356677201 /nfs/dbraw/zinc/67/72/01/356677201.db2.gz OXFOJIODWKFKIE-STQMWFEESA-N 0 3 274.368 1.264 10 30 CDEEHN N#CC1(C[C@H](O)CN2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC000528377103 356677375 /nfs/dbraw/zinc/67/73/75/356677375.db2.gz DUOFYIODICRABU-KBPBESRZSA-N 0 3 291.395 1.128 10 30 CDEEHN N#CC[C@@H]1CCCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528546818 356679896 /nfs/dbraw/zinc/67/98/96/356679896.db2.gz DZZZATJLJKYMEB-QWHCGFSZSA-N 0 3 252.358 1.278 10 30 CDEEHN C#CCOC[C@H](O)CN(Cc1ccc(C)cc1)C1CC1 ZINC000036101899 357276681 /nfs/dbraw/zinc/27/66/81/357276681.db2.gz GPZVGSVMQDPHHU-QGZVFWFLSA-N 0 3 273.376 1.970 10 30 CDEEHN CC(C)N1CC[C@H](Nc2ncc([N+](=O)[O-])cc2C#N)C1 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ZINC000192697754 358228295 /nfs/dbraw/zinc/22/82/95/358228295.db2.gz RWGNYJRFQCKBRW-UHFFFAOYSA-N 0 3 272.352 1.415 10 30 CDEEHN N#Cc1ccc(CN[C@@H]2CCc3ncnn3C2)s1 ZINC000176965022 366420557 /nfs/dbraw/zinc/42/05/57/366420557.db2.gz FXWKPOOSDQRZFM-SECBINFHSA-N 0 3 259.338 1.316 10 30 CDEEHN CNC(=O)C(C)(C)CNCc1cnc2ccc(C#N)cn12 ZINC000120307260 358601135 /nfs/dbraw/zinc/60/11/35/358601135.db2.gz JEKZMUXEHWCHRE-UHFFFAOYSA-N 0 3 285.351 1.068 10 30 CDEEHN CC#CCN(CCCNC(=O)c1cnn(C)c1C)C1CC1 ZINC001660650189 1172248280 /nfs/dbraw/zinc/24/82/80/1172248280.db2.gz NSXNUGASLVENPA-UHFFFAOYSA-N 0 3 288.395 1.336 10 30 CDEEHN CC[C@@H](NCc1cnc2ccc(C#N)cn12)[C@@H](O)C(F)F ZINC000449424104 358668842 /nfs/dbraw/zinc/66/88/42/358668842.db2.gz PDEKODYHRMKRER-DGCLKSJQSA-N 0 3 294.305 1.700 10 30 CDEEHN C[C@H](CN1CCC(C)CC1)NC(=O)[C@@H](C)CC#N ZINC000598262979 358706790 /nfs/dbraw/zinc/70/67/90/358706790.db2.gz OIMFVHVPGJQLSX-QWHCGFSZSA-N 0 3 251.374 1.773 10 30 CDEEHN CCOC(=O)C1(O)CCN(CCCC(C)(C)C#N)CC1 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CDEEHN N#Cc1csc(CN[C@@H]2CCN3CCCC[C@@H]23)n1 ZINC000386097461 366930346 /nfs/dbraw/zinc/93/03/46/366930346.db2.gz HEGKJVYGCCWMPM-NEPJUHHUSA-N 0 3 262.382 1.731 10 30 CDEEHN C[C@H]1C[C@H](N(C)C(=O)NCC2(C#N)CC2)CCN1C ZINC000516616055 367023383 /nfs/dbraw/zinc/02/33/83/367023383.db2.gz CNDYOYBQUCBFAY-NWDGAFQWSA-N 0 3 264.373 1.414 10 30 CDEEHN C=CCC(C)(C)C(=O)NC[C@@H](N[C@H](C)C(=O)NC)C1CC1 ZINC001661172307 1172348232 /nfs/dbraw/zinc/34/82/32/1172348232.db2.gz JWWOTQDKPNPFNZ-DGCLKSJQSA-N 0 3 295.427 1.208 10 30 CDEEHN CN(CCC#N)C[C@H](O)CNCc1ccc(C2CC2)cc1 ZINC000567043410 370864001 /nfs/dbraw/zinc/86/40/01/370864001.db2.gz UVRVPKYKWQYBKR-QGZVFWFLSA-N 0 3 287.407 1.860 10 30 CDEEHN C=CCN1CCC(NC(=O)N2CC(C)(CCOC)C2)CC1 ZINC000358693353 367878267 /nfs/dbraw/zinc/87/82/67/367878267.db2.gz SIGTVYUXJNSSHQ-UHFFFAOYSA-N 0 3 295.427 1.705 10 30 CDEEHN CC1(C)CN(C[C@@H](O)CC2(C#N)CC2)C[C@@]2(CCOC2)O1 ZINC000528484676 367857776 /nfs/dbraw/zinc/85/77/76/367857776.db2.gz IWBBAUXXRXRCEK-XJKSGUPXSA-N 0 3 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C#CCCN1CC[C@@H](N(CCC)C(=O)c2cccnn2)C1 ZINC001267548121 898320715 /nfs/dbraw/zinc/32/07/15/898320715.db2.gz ZAAQRKWAVUIOQB-CQSZACIVSA-N 0 3 286.379 1.426 10 30 CDEEHN C=CCN(CC)CCNC(=O)c1nn(C)cc1Cl ZINC001480976531 898419531 /nfs/dbraw/zinc/41/95/31/898419531.db2.gz CTVBULKDZYHBPE-UHFFFAOYSA-N 0 3 270.764 1.311 10 30 CDEEHN C=CCN(CC)CCNC(=O)c1nncc2ccccc21 ZINC001480987801 898434621 /nfs/dbraw/zinc/43/46/21/898434621.db2.gz NPEXNLIJDCMACL-UHFFFAOYSA-N 0 3 284.363 1.868 10 30 CDEEHN C=C(C)CN1CCC[C@H]1CNC(=O)[C@@]1(C)CCNC(=O)C1 ZINC001481044990 898678840 /nfs/dbraw/zinc/67/88/40/898678840.db2.gz GBSJDICUZGZJBW-BBRMVZONSA-N 0 3 293.411 1.059 10 30 CDEEHN CCC[C@H](C)C(=O)NC[C@@H]1CCN(CC#CCOC)C1 ZINC001481083681 898760723 /nfs/dbraw/zinc/76/07/23/898760723.db2.gz NLBBVILGYCARHK-GJZGRUSLSA-N 0 3 280.412 1.511 10 30 CDEEHN CCN(C(=O)c1ccc(C#N)o1)[C@@H]1CCN(CC)C1 ZINC000694884802 898763227 /nfs/dbraw/zinc/76/32/27/898763227.db2.gz ZPQYMVPAWUUQGD-LLVKDONJSA-N 0 3 261.325 1.708 10 30 CDEEHN 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292.383 1.507 10 30 CDEEHN C=CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)nc[n-]c1=O ZINC001268742648 903065290 /nfs/dbraw/zinc/06/52/90/903065290.db2.gz KRBOHFZYEFLONR-NSHDSACASA-N 0 3 292.383 1.507 10 30 CDEEHN C=CCCCN1CC[C@@H]1CNC(=O)Cn1cccn1 ZINC001269200477 903537286 /nfs/dbraw/zinc/53/72/86/903537286.db2.gz KQYULFXAPGDJFF-CYBMUJFWSA-N 0 3 262.357 1.040 10 30 CDEEHN C=C(C)CN1CC[C@H](N(C)C(=O)[C@]2(CC)CCNC2=O)C1 ZINC001269252376 903611463 /nfs/dbraw/zinc/61/14/63/903611463.db2.gz YNAAFTBZFDIJTE-XJKSGUPXSA-N 0 3 293.411 1.012 10 30 CDEEHN CC#CCNC1(CNC(=O)c2cccc3n[nH]cc32)CC1 ZINC001269464057 903831107 /nfs/dbraw/zinc/83/11/07/903831107.db2.gz DDSJOSVAFQLCQQ-UHFFFAOYSA-N 0 3 282.347 1.438 10 30 CDEEHN C=CCN(C)Cc1ccccc1CNC(=O)c1ncc[nH]1 ZINC001272669678 914802229 /nfs/dbraw/zinc/80/22/29/914802229.db2.gz FXOSCFRVWGQJPY-UHFFFAOYSA-N 0 3 284.363 1.958 10 30 CDEEHN C=C(C)CCC(=O)NCC1CN(CCC[C@H](C)O)C1 ZINC001567831635 1169003922 /nfs/dbraw/zinc/00/39/22/1169003922.db2.gz ZPIBOEGGCRUXQH-ZDUSSCGKSA-N 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CDEEHN C#CCCCC(=O)N(C)[C@H](C)CNCC(=O)N(C)C(C)C ZINC001268060422 901060063 /nfs/dbraw/zinc/06/00/63/901060063.db2.gz VKJQUIUAZLDLKS-CQSZACIVSA-N 0 3 295.427 1.093 10 30 CDEEHN COCC#CCNC[C@H](C)N(C)C(=O)[C@@H]1CCC1(C)C ZINC001268081242 901136238 /nfs/dbraw/zinc/13/62/38/901136238.db2.gz NGXSJHVUUPOVSM-KBPBESRZSA-N 0 3 280.412 1.509 10 30 CDEEHN C=C(C)CN(C)CCN(C)C(=O)CCc1ccncn1 ZINC001268239355 901645647 /nfs/dbraw/zinc/64/56/47/901645647.db2.gz MOQNWJVCCIWMTF-UHFFFAOYSA-N 0 3 276.384 1.376 10 30 CDEEHN C#CCCN(C)CCN(C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC001268243935 901656326 /nfs/dbraw/zinc/65/63/26/901656326.db2.gz SEBRPKYCYAYBRU-CABCVRRESA-N 0 3 278.396 1.215 10 30 CDEEHN C#CCCN(C)CCN(C)C(=O)COC1CCC(C)CC1 ZINC001268259954 901689646 /nfs/dbraw/zinc/68/96/46/901689646.db2.gz READWHMSYVRYKY-UHFFFAOYSA-N 0 3 294.439 1.995 10 30 CDEEHN C=CCCC(=O)N[C@@H]1CCC[C@@H]1CNCc1cnns1 ZINC001268269678 901718167 /nfs/dbraw/zinc/71/81/67/901718167.db2.gz HDGAGFLHQDMJSP-DGCLKSJQSA-N 0 3 294.424 1.879 10 30 CDEEHN N#CCSCC(=O)N[C@H]1CCN(CC2=CCCCC2)C1 ZINC001481686148 901792529 /nfs/dbraw/zinc/79/25/29/901792529.db2.gz PAWDSJXRRWAOTE-AWEZNQCLSA-N 0 3 293.436 1.934 10 30 CDEEHN C=C1CC(C)(C(=O)NC[C@H](O)CNCc2cncs2)C1 ZINC001268324610 901852068 /nfs/dbraw/zinc/85/20/68/901852068.db2.gz UYGCESVGQXOKNA-LLVKDONJSA-N 0 3 295.408 1.066 10 30 CDEEHN C=C[C@](C)(O)CC(=O)N[C@@H](C)CCNCc1ocnc1C ZINC001268359160 901936756 /nfs/dbraw/zinc/93/67/56/901936756.db2.gz PCAXVJHCZREGGT-NHYWBVRUSA-N 0 3 295.383 1.295 10 30 CDEEHN C=C(Cl)CNCC[C@@H](C)NC(=O)c1ccnc(OC)n1 ZINC001268385107 901968138 /nfs/dbraw/zinc/96/81/38/901968138.db2.gz IXKUXHRQTBZIEE-SNVBAGLBSA-N 0 3 298.774 1.336 10 30 CDEEHN C#CCNCCN(CC)C(=O)C[C@@H]1CCCCO1 ZINC001268443074 902065434 /nfs/dbraw/zinc/06/54/34/902065434.db2.gz KCAYZKRBNLSKQI-ZDUSSCGKSA-N 0 3 252.358 1.017 10 30 CDEEHN C=C[C@@H](CC)CC(=O)NC1(CNCC(=O)NC)CCCC1 ZINC001481905703 902295091 /nfs/dbraw/zinc/29/50/91/902295091.db2.gz UYUUNXHNYWUMPB-ZDUSSCGKSA-N 0 3 295.427 1.353 10 30 CDEEHN C#CCNC/C=C/CNC(=O)c1ncoc1-c1ccccc1 ZINC001268546125 902547217 /nfs/dbraw/zinc/54/72/17/902547217.db2.gz BISFDKOYRJUAKW-VOTSOKGWSA-N 0 3 295.342 1.850 10 30 CDEEHN CCCC1(C(=O)NC/C=C\CNCC#CCOC)CC1 ZINC001268589421 902694109 /nfs/dbraw/zinc/69/41/09/902694109.db2.gz VMXQOCXGFWSNHM-PLNGDYQASA-N 0 3 278.396 1.479 10 30 CDEEHN C#CCNC/C=C\CNC(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC001268601235 902805264 /nfs/dbraw/zinc/80/52/64/902805264.db2.gz SLEYBBKEVLRDNY-UWUBPMADSA-N 0 3 268.360 1.685 10 30 CDEEHN COCC#CCNC[C@H](C)NC(=O)/C=C\c1ccco1 ZINC001268677410 902943877 /nfs/dbraw/zinc/94/38/77/902943877.db2.gz BOXBBSQPASIQAX-WSROAFLRSA-N 0 3 276.336 1.037 10 30 CDEEHN C=CCCC(=O)NCC1CN(C[C@H]2CCCCO2)C1 ZINC001268703943 902985630 /nfs/dbraw/zinc/98/56/30/902985630.db2.gz SORZSMSAKPCIQR-CQSZACIVSA-N 0 3 266.385 1.570 10 30 CDEEHN CC(C)C#CC(=O)NCC1CN(CCCCCF)C1 ZINC001268826166 903161563 /nfs/dbraw/zinc/16/15/63/903161563.db2.gz WSZDCEOUIVHRBY-UHFFFAOYSA-N 0 3 268.376 1.834 10 30 CDEEHN C=CCCCN1CC[C@H](NC(=O)c2cc(OCC)no2)C1 ZINC001269046613 903366273 /nfs/dbraw/zinc/36/62/73/903366273.db2.gz UBXDFUNIIUBDNN-LBPRGKRZSA-N 0 3 293.367 1.844 10 30 CDEEHN C=C1CC(C)(C(=O)N[C@@H]2CCN(CCC[C@@H](C)O)C2)C1 ZINC001269165613 903496826 /nfs/dbraw/zinc/49/68/26/903496826.db2.gz GSDVDSQNMZHRFI-ZIAGYGMSSA-N 0 3 280.412 1.694 10 30 CDEEHN CCC(CC)CN1CC[C@H]1CNC(=O)CSCC#N ZINC001269200842 903534404 /nfs/dbraw/zinc/53/44/04/903534404.db2.gz NCXYXLMRGFCDJT-ZDUSSCGKSA-N 0 3 283.441 1.870 10 30 CDEEHN C#CCCN1CC[C@@H](N(C)C(=O)CC[C@H]2CCCO2)C1 ZINC001269216810 903568161 /nfs/dbraw/zinc/56/81/61/903568161.db2.gz LYIWKVYZSHRLDO-HUUCEWRRSA-N 0 3 278.396 1.502 10 30 CDEEHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@@H]1CCC(=O)N1 ZINC001269330841 903702966 /nfs/dbraw/zinc/70/29/66/903702966.db2.gz FOINLJIHVNWGIG-KGLIPLIRSA-N 0 3 293.411 1.202 10 30 CDEEHN C=CC[NH2+][C@@H](CC)CNC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC001269508431 903874177 /nfs/dbraw/zinc/87/41/77/903874177.db2.gz AFCAGRCUUUXQCJ-LBPRGKRZSA-N 0 3 292.383 1.012 10 30 CDEEHN C#CCN1CCC(C(=O)NCc2cncc(F)c2)CC1 ZINC001177545537 914766776 /nfs/dbraw/zinc/76/67/76/914766776.db2.gz SMSXNWJUVWYFDJ-UHFFFAOYSA-N 0 3 275.327 1.182 10 30 CDEEHN C#CCNCc1ccc(CNC(=O)CCOCC)cc1 ZINC001270054983 904310051 /nfs/dbraw/zinc/31/00/51/904310051.db2.gz RGXHFMAJUVHBOV-UHFFFAOYSA-N 0 3 274.364 1.452 10 30 CDEEHN C=C1CC(C)(C(=O)N[C@H](CNCC(N)=O)C2CCCC2)C1 ZINC001270429416 904632637 /nfs/dbraw/zinc/63/26/37/904632637.db2.gz APXBVWIDWFMDGK-CYBMUJFWSA-N 0 3 293.411 1.093 10 30 CDEEHN C=CCNC(=O)[C@@H](C)NC[C@H](C)N(C)C(=O)c1ccoc1 ZINC001270895764 905363931 /nfs/dbraw/zinc/36/39/31/905363931.db2.gz NIJIWZDSZXNGHU-NWDGAFQWSA-N 0 3 293.367 1.020 10 30 CDEEHN C=CCN1CCC[C@](C)(CNC(=O)Cc2cnoc2)C1 ZINC001270983026 905521647 /nfs/dbraw/zinc/52/16/47/905521647.db2.gz LSFUUNPQGGHDKK-OAHLLOKOSA-N 0 3 277.368 1.621 10 30 CDEEHN COCCO[C@H]1COCC[C@H]1NCc1csc(C#N)c1 ZINC000922018833 921249317 /nfs/dbraw/zinc/24/93/17/921249317.db2.gz UZOXOFUSVFXZBN-KGLIPLIRSA-N 0 3 296.392 1.530 10 30 CDEEHN C#CCN(C(=O)N(C)C(C)C)C1CCN(C)CC1 ZINC000922021700 921250952 /nfs/dbraw/zinc/25/09/52/921250952.db2.gz CTRWCPGKTPQKJA-UHFFFAOYSA-N 0 3 251.374 1.476 10 30 CDEEHN COCC[C@]1(NCc2csc(C#N)c2)CCOC1 ZINC000922070251 921264125 /nfs/dbraw/zinc/26/41/25/921264125.db2.gz PRXORCKZOUTGGV-ZDUSSCGKSA-N 0 3 266.366 1.905 10 30 CDEEHN C#CCN(C(=O)N[C@@H]1CC[C@@H](C)C1)C1CCN(C)CC1 ZINC000922115663 921277603 /nfs/dbraw/zinc/27/76/03/921277603.db2.gz VWLCTAIABGPWKY-ZIAGYGMSSA-N 0 3 277.412 1.914 10 30 CDEEHN C#CCCN(C)CCN(C)C(=O)CO[C@@H]1CCC[C@H](C)C1 ZINC001482632597 908091560 /nfs/dbraw/zinc/09/15/60/908091560.db2.gz QGNSSJAUYMHSQT-JKSUJKDBSA-N 0 3 294.439 1.995 10 30 CDEEHN CCCCOCCN1CC[C@@H](N(CC)C(=O)[C@H](C)C#N)C1 ZINC001567934145 1169077993 /nfs/dbraw/zinc/07/79/93/1169077993.db2.gz NTIBJZWLPPRRKJ-HUUCEWRRSA-N 0 3 295.427 1.886 10 30 CDEEHN CC(C)(C)C#CC(=O)N1CC[C@@H]2[C@@H](CCN2CCF)C1 ZINC001482662028 908135400 /nfs/dbraw/zinc/13/54/00/908135400.db2.gz MRWFSIGIOXQTQF-UONOGXRCSA-N 0 3 280.387 1.928 10 30 CDEEHN CCN(CCNCc1cnc(C)s1)C(=O)[C@H](C)C#N ZINC001482914890 908490385 /nfs/dbraw/zinc/49/03/85/908490385.db2.gz WOAZIIVXTAKFJI-SNVBAGLBSA-N 0 3 280.397 1.549 10 30 CDEEHN C=CCn1cc(C(=O)NC/C=C\CNC/C=C\Cl)nn1 ZINC001483067400 909251676 /nfs/dbraw/zinc/25/16/76/909251676.db2.gz NCKZDKDMZAEUDV-OUPQRBNQSA-N 0 3 295.774 1.092 10 30 CDEEHN C#CCCN1CC([C@H](C)NC(=O)CO[C@H](C)CC)C1 ZINC001506609763 909276282 /nfs/dbraw/zinc/27/62/82/909276282.db2.gz IDLRKHMKNPZJLL-OLZOCXBDSA-N 0 3 266.385 1.261 10 30 CDEEHN C[C@H](N[C@H]1C[C@H](S(C)(=O)=O)C1)c1ccc(C#N)cc1 ZINC000714252488 909720248 /nfs/dbraw/zinc/72/02/48/909720248.db2.gz TWBPMJLMFNDETG-BPNCWPANSA-N 0 3 278.377 1.784 10 30 CDEEHN COCC#CCNC[C@@H](C)NC(=O)[C@@H](C)c1ccco1 ZINC001483165876 909899311 /nfs/dbraw/zinc/89/93/11/909899311.db2.gz UVCWYEITDQWOTQ-OLZOCXBDSA-N 0 3 278.352 1.127 10 30 CDEEHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)C(C)(C)F ZINC001483203265 910006403 /nfs/dbraw/zinc/00/64/03/910006403.db2.gz AZPAPBSTCOBLGR-ZDUSSCGKSA-N 0 3 276.355 1.881 10 30 CDEEHN C#CCN(C)CCCN(C)C(=O)C[C@H](C)[C@H]1CCCO1 ZINC001273584228 921566655 /nfs/dbraw/zinc/56/66/55/921566655.db2.gz NUVHIUPABVBMME-LSDHHAIUSA-N 0 3 280.412 1.605 10 30 CDEEHN C=CCOCCN(C)C[C@H](C)NC(=O)[C@H]1CC12CCC2 ZINC001483389444 911036466 /nfs/dbraw/zinc/03/64/66/911036466.db2.gz HMBCIXPCCVLYEA-UONOGXRCSA-N 0 3 280.412 1.816 10 30 CDEEHN C=CCCCN(CC)CC(=O)NCC(=O)OC(C)(C)C ZINC001648544450 1169138048 /nfs/dbraw/zinc/13/80/48/1169138048.db2.gz OTRFOJHLHHOVRI-UHFFFAOYSA-N 0 3 284.400 1.732 10 30 CDEEHN C#CCNC[C@H]1CN(C(=O)C[C@H](C)C(F)(F)F)CCO1 ZINC001280630240 912107480 /nfs/dbraw/zinc/10/74/80/912107480.db2.gz RUMJHZBDPAUQKT-QWRGUYRKSA-N 0 3 292.301 1.025 10 30 CDEEHN C=CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)COC ZINC001483810666 915092483 /nfs/dbraw/zinc/09/24/83/915092483.db2.gz HUYYHGJAGYRMBO-KFWWJZLASA-N 0 3 280.412 1.910 10 30 CDEEHN C#CCCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C#CC(C)C ZINC001483809615 915096235 /nfs/dbraw/zinc/09/62/35/915096235.db2.gz QOKOLTURYCPHSW-CVEARBPZSA-N 0 3 272.392 1.734 10 30 CDEEHN C#CCN(C(=O)c1cn(C)cn1)C1CCN(CC=C)CC1 ZINC001483982414 915263101 /nfs/dbraw/zinc/26/31/01/915263101.db2.gz TWQMTFRPZHHJMA-UHFFFAOYSA-N 0 3 286.379 1.146 10 30 CDEEHN C=CCOCCN1CC[C@](C)(NC(=O)C[C@@H]2CCCO2)C1 ZINC001484034919 915325783 /nfs/dbraw/zinc/32/57/83/915325783.db2.gz ZTUVQZGFDLOOQD-HOCLYGCPSA-N 0 3 296.411 1.339 10 30 CDEEHN C=CCCC(=O)N1CC[C@H]([C@H](C)NCc2ccn(C)n2)C1 ZINC001484333107 915644771 /nfs/dbraw/zinc/64/47/71/915644771.db2.gz QJVFZMGOMWCSHR-KBPBESRZSA-N 0 3 290.411 1.713 10 30 CDEEHN C=CCCCC(=O)N[C@]1(CO)CCCN(C[C@@H](C)OC)C1 ZINC001484444904 915777486 /nfs/dbraw/zinc/77/74/86/915777486.db2.gz WQMSUALCFZEBTH-GDBMZVCRSA-N 0 3 298.427 1.321 10 30 CDEEHN C#CCN1CCC2(CN(C(=O)CCC(F)F)C2)CC1 ZINC001484579663 915900827 /nfs/dbraw/zinc/90/08/27/915900827.db2.gz GDQHUEPLLRRPEV-UHFFFAOYSA-N 0 3 270.323 1.589 10 30 CDEEHN CC(C)(C(=O)NCC1(NCC#N)CCC1)N1CCCCC1 ZINC001484634414 915963365 /nfs/dbraw/zinc/96/33/65/915963365.db2.gz LUETXOAPKZGRLX-UHFFFAOYSA-N 0 3 292.427 1.403 10 30 CDEEHN C#CCNC1(CNC(=O)[C@H]2CCO[C@@H](C)C2)CCC1 ZINC001484655483 916000108 /nfs/dbraw/zinc/00/01/08/916000108.db2.gz BRRSZEXGANUZDN-STQMWFEESA-N 0 3 264.369 1.063 10 30 CDEEHN CC#CCN[C@@]1(CO)CCCN(C(=O)C2=CCCC2)C1 ZINC001484836408 916201248 /nfs/dbraw/zinc/20/12/48/916201248.db2.gz WRCMJYSHFFRQJY-INIZCTEOSA-N 0 3 276.380 1.063 10 30 CDEEHN C#CCN[C@]1(CO)CCCN(C(=O)C[C@@H](C)CC(C)C)C1 ZINC001484854622 916209026 /nfs/dbraw/zinc/20/90/26/916209026.db2.gz LEBLCXINAIELKG-DOTOQJQBSA-N 0 3 294.439 1.635 10 30 CDEEHN C#CCN1CC[C@@H](NC(=O)CCc2cscn2)C[C@H]1C ZINC001484988330 916351836 /nfs/dbraw/zinc/35/18/36/916351836.db2.gz UABOOFICAHBQKG-CHWSQXEVSA-N 0 3 291.420 1.678 10 30 CDEEHN C#CCN1CC[C@H](NC(=O)C2(C(F)(F)F)CC2)C[C@H]1C ZINC001484978734 916355834 /nfs/dbraw/zinc/35/58/34/916355834.db2.gz CDCWHGGACFSDAS-MNOVXSKESA-N 0 3 288.313 1.931 10 30 CDEEHN C=CCN[C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C)OC ZINC001485042354 916405744 /nfs/dbraw/zinc/40/57/44/916405744.db2.gz MPZJXJZEOTZQQE-KCPJHIHWSA-N 0 3 274.364 1.579 10 30 CDEEHN C=CCN(C)C[C@H]1CCCN1C(=O)[C@H]1C[C@@H]1C(F)F ZINC001485056941 916424507 /nfs/dbraw/zinc/42/45/07/916424507.db2.gz UQDFLDVCONSLSE-WOPDTQHZSA-N 0 3 272.339 1.996 10 30 CDEEHN C=CCCC(=O)NC[C@H](C)N(C)CCc1cnn(C)c1 ZINC001485284022 916742292 /nfs/dbraw/zinc/74/22/92/916742292.db2.gz DMSDIBIHUITFGN-ZDUSSCGKSA-N 0 3 278.400 1.365 10 30 CDEEHN C=CCN(C)[C@@H](C)CNC(=O)c1ccnn1CC1CCC1 ZINC001485304366 916818344 /nfs/dbraw/zinc/81/83/44/916818344.db2.gz VTDDOFKVZHAQRP-ZDUSSCGKSA-N 0 3 290.411 1.919 10 30 CDEEHN C=CCN(C)[C@H](C)CNC(=O)c1c(C)c(C)n[nH]c1=O ZINC001485337021 916841264 /nfs/dbraw/zinc/84/12/64/916841264.db2.gz PXVIBBQGGYCAQP-SECBINFHSA-N 0 3 278.356 1.035 10 30 CDEEHN C=CCOCCN1CC([C@@H](C)NC(=O)Cc2ccoc2)C1 ZINC001485503774 917047987 /nfs/dbraw/zinc/04/79/87/917047987.db2.gz LAGBRVSQSBPDFT-CYBMUJFWSA-N 0 3 292.379 1.461 10 30 CDEEHN 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ZINC001716365173 1180169262 /nfs/dbraw/zinc/16/92/62/1180169262.db2.gz CKVPKGGTUDLXKM-SNAWJCMRSA-N 0 3 260.312 1.643 10 30 CDEEHN CC#CCNC/C=C\CNC(=O)c1nn(C)c2ccccc21 ZINC001716366053 1180170825 /nfs/dbraw/zinc/17/08/25/1180170825.db2.gz VRRUAWHUXPXPSJ-FPLPWBNLSA-N 0 3 296.374 1.472 10 30 CDEEHN C=C1CCC(C(=O)N[C@H](C)CNCC#CCOC)CC1 ZINC001716411168 1180192176 /nfs/dbraw/zinc/19/21/76/1180192176.db2.gz ZYOCBNYRJDWFSL-CQSZACIVSA-N 0 3 278.396 1.477 10 30 CDEEHN C=CCN(C)C[C@@H](C)NC(=O)CCCn1cccc1 ZINC001716507156 1180260228 /nfs/dbraw/zinc/26/02/28/1180260228.db2.gz ASBDOJZWHFYTGW-CQSZACIVSA-N 0 3 263.385 1.891 10 30 CDEEHN COCC#CCNC1(CNC(=O)[C@H]2CC[C@H](F)C2)CC1 ZINC001716691549 1180372547 /nfs/dbraw/zinc/37/25/47/1180372547.db2.gz NGJAAWNYDILOOY-STQMWFEESA-N 0 3 282.359 1.013 10 30 CDEEHN C#CCNC1(CNC(=O)CCn2ccc3ccccc32)CC1 ZINC001716700068 1180377127 /nfs/dbraw/zinc/37/71/27/1180377127.db2.gz NSZCAXOUHLHFBC-UHFFFAOYSA-N 0 3 295.386 1.903 10 30 CDEEHN CC#CCNC1(CNC(=O)[C@@H](C)CCCOC)CC1 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CDEEHN C#CCN(C)CCCN(C)C(=O)[C@@H]1CCC(F)(F)C1 ZINC001717207402 1180574951 /nfs/dbraw/zinc/57/49/51/1180574951.db2.gz AZJLDLAKWRRQCB-GFCCVEGCSA-N 0 3 272.339 1.835 10 30 CDEEHN C=C(C)CCC(=O)N1CCC(CN(CC)CC(N)=O)CC1 ZINC001717355572 1180626781 /nfs/dbraw/zinc/62/67/81/1180626781.db2.gz RIMUKTSNIWYDBK-UHFFFAOYSA-N 0 3 295.427 1.389 10 30 CDEEHN C#CCCCC(=O)NC1CC(CNCc2cnc(C)o2)C1 ZINC001717383880 1180639913 /nfs/dbraw/zinc/63/99/13/1180639913.db2.gz XJGUKTFYPGUIDH-UHFFFAOYSA-N 0 3 289.379 1.771 10 30 CDEEHN C=CCC(C)(C)C(=O)N[C@@H](C)[C@@H](C)NCC(=O)N(C)CC ZINC001717426224 1180665580 /nfs/dbraw/zinc/66/55/80/1180665580.db2.gz DJVNDGGIAQJXNN-OLZOCXBDSA-N 0 3 297.443 1.550 10 30 CDEEHN C=CCOCCN(C)[C@H](C)CNC(=O)c1nocc1C ZINC001717493555 1180706501 /nfs/dbraw/zinc/70/65/01/1180706501.db2.gz AWGVJCBXUPOPOT-GFCCVEGCSA-N 0 3 281.356 1.236 10 30 CDEEHN C=CCN1C[C@@H](NC(=O)CCc2ccnn2C)C(C)(C)C1 ZINC001717581555 1180748044 /nfs/dbraw/zinc/74/80/44/1180748044.db2.gz QPVGVHXAXGATNB-CQSZACIVSA-N 0 3 290.411 1.365 10 30 CDEEHN C#CCCN1C[C@H](NC(=O)CC[C@H](C)OC)C(C)(C)C1 ZINC001717579554 1180748576 /nfs/dbraw/zinc/74/85/76/1180748576.db2.gz DBAAXPUAIBQJPX-KBPBESRZSA-N 0 3 280.412 1.651 10 30 CDEEHN CC#CCN[C@@H](C)CN(C)C(=O)COc1ccccc1 ZINC001717750595 1180828838 /nfs/dbraw/zinc/82/88/38/1180828838.db2.gz KDZPVBSJHPZTRE-AWEZNQCLSA-N 0 3 274.364 1.525 10 30 CDEEHN C=CCN[C@H](CO)CNC(=O)[C@@H]1Cc2c1cccc2Cl ZINC001717784463 1180851323 /nfs/dbraw/zinc/85/13/23/1180851323.db2.gz MAFPHZABPJDXRH-GXFFZTMASA-N 0 3 294.782 1.232 10 30 CDEEHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cnc3ccccn23)C1 ZINC001717817095 1180876945 /nfs/dbraw/zinc/87/69/45/1180876945.db2.gz ILFWSXBYOCWOIH-UONOGXRCSA-N 0 3 296.374 1.550 10 30 CDEEHN CC#CCN[C@@H]1C[C@@H](C)N(C(=O)c2cnc3ccccn23)C1 ZINC001717817096 1180876967 /nfs/dbraw/zinc/87/69/67/1180876967.db2.gz ILFWSXBYOCWOIH-ZIAGYGMSSA-N 0 3 296.374 1.550 10 30 CDEEHN C=CCN(C)CCN(C(=O)Cn1cccn1)C(C)C ZINC001717946339 1180941360 /nfs/dbraw/zinc/94/13/60/1180941360.db2.gz 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C#CCC(CC#C)C(=O)N1C[C@H](N2CCCC2)C[C@H]1C ZINC000290308782 391773000 /nfs/dbraw/zinc/77/30/00/391773000.db2.gz CSEQUBUYRBVCDL-GDBMZVCRSA-N 0 3 272.392 1.734 10 30 CDEEHN C=CCCS(=O)(=O)N(C)[C@H]1CCN(CC)C[C@H]1C ZINC000120920190 391842835 /nfs/dbraw/zinc/84/28/35/391842835.db2.gz UIQFAWRDPZTDOO-OLZOCXBDSA-N 0 3 274.430 1.554 10 30 CDEEHN CC#CCCN1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000646112370 392024469 /nfs/dbraw/zinc/02/44/69/392024469.db2.gz OWFZIZGFAUXNGS-NSHDSACASA-N 0 3 262.275 1.400 10 30 CDEEHN C[C@@H](NC[C@@H](O)CN(C)C)c1ccc(C#N)cc1F ZINC000305804655 392775407 /nfs/dbraw/zinc/77/54/07/392775407.db2.gz FWUGMXFGBRNYAQ-ZYHUDNBSSA-N 0 3 265.332 1.270 10 30 CDEEHN CN(C)CCN(C(=O)c1ccc(C#N)nc1)C1CCCC1 ZINC000115383472 392971219 /nfs/dbraw/zinc/97/12/19/392971219.db2.gz HXHJZCBKJYXSKL-UHFFFAOYSA-N 0 3 286.379 1.900 10 30 CDEEHN C[C@H](NC[C@@H](O)[C@@H]1CCCO1)c1ccc(C#N)cc1F ZINC000527951629 393003625 /nfs/dbraw/zinc/00/36/25/393003625.db2.gz CLYCRRXYTNSSME-VQISRLSMSA-N 0 3 278.327 1.888 10 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1.747 10 30 CDEEHN C=CCCC[C@H](C)N1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000661883112 414418751 /nfs/dbraw/zinc/41/87/51/414418751.db2.gz DIUODVQEZOMVRD-FQUUOJAGSA-N 0 3 287.425 1.475 10 30 CDEEHN C=C(C)CN(CC)C(=O)[C@H](C)N[C@H]1C[C@@H](O)C12CCC2 ZINC000661840856 414398764 /nfs/dbraw/zinc/39/87/64/414398764.db2.gz QAMSTBZMCXGXOR-MELADBBJSA-N 0 3 280.412 1.693 10 30 CDEEHN C=C1C[C@H]2CC[C@@H](C1)N2CC(=O)NC[C@H]1CCCO1 ZINC000662082980 414503555 /nfs/dbraw/zinc/50/35/55/414503555.db2.gz YXODEYYKFCTPDJ-HZSPNIEDSA-N 0 3 264.369 1.465 10 30 CDEEHN CCCNC(=O)[C@@H](C)N[C@@H](CC)CNC(=O)C#CC(C)C ZINC001665789563 1173062336 /nfs/dbraw/zinc/06/23/36/1173062336.db2.gz YGCQUWGOEYDQOZ-KGLIPLIRSA-N 0 3 295.427 1.045 10 30 CDEEHN CC(C#N)S(=O)(=O)c1nc2ccc(N)cc2o1 ZINC000043519257 175062083 /nfs/dbraw/zinc/06/20/83/175062083.db2.gz RDOBTVDOEIEGGT-ZCFIWIBFSA-N 0 3 251.267 1.096 10 30 CDEEHN NCC#Cc1ccsc1CN1CCC[C@H](O)C1 ZINC000043683966 175091661 /nfs/dbraw/zinc/09/16/61/175091661.db2.gz 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/nfs/dbraw/zinc/03/21/62/1183032162.db2.gz LYECMDZILBXQNT-LLVKDONJSA-N 0 3 296.333 1.778 10 30 CDEEHN C#CCCN(C)CCN(C)C(=O)C(C)(C)CCOC ZINC001732595793 1183037180 /nfs/dbraw/zinc/03/71/80/1183037180.db2.gz UCIXUCCYPNVIOG-UHFFFAOYSA-N 0 3 268.401 1.463 10 30 CDEEHN C=CCCC(=O)NC[C@@H](O)CNCc1cc(F)cc(F)c1 ZINC001732637092 1183057644 /nfs/dbraw/zinc/05/76/44/1183057644.db2.gz VQCYTLOJOHFSIL-AWEZNQCLSA-N 0 3 298.333 1.498 10 30 CDEEHN CC#CCNCCN(CC)C(=O)Cn1ccc(C(F)F)n1 ZINC001732778735 1183122466 /nfs/dbraw/zinc/12/24/66/1183122466.db2.gz FFYWWCDVMYPZIC-UHFFFAOYSA-N 0 3 298.337 1.282 10 30 CDEEHN COCC#CCNC/C=C\CNC(=O)CC1(C)CCCC1 ZINC001732849992 1183158318 /nfs/dbraw/zinc/15/83/18/1183158318.db2.gz YHARFQACDLTPTE-WAYWQWQTSA-N 0 3 292.423 1.869 10 30 CDEEHN C=C(Cl)CNC/C=C\CNC(=O)CN1CCC(C)CC1 ZINC001732914051 1183182160 /nfs/dbraw/zinc/18/21/60/1183182160.db2.gz OEGXCLOIPQRPMH-ARJAWSKDSA-N 0 3 299.846 1.733 10 30 CDEEHN C#CCCCC(=O)N[C@H](C)CNCc1cccnc1C ZINC001732952810 1183200896 /nfs/dbraw/zinc/20/08/96/1183200896.db2.gz XHMNWIVENALCJD-CYBMUJFWSA-N 0 3 273.380 1.788 10 30 CDEEHN C#CCNC[C@@H](NC(=O)C(=O)Nc1ccc(C)cc1)C1CC1 ZINC001733191303 1183325331 /nfs/dbraw/zinc/32/53/31/1183325331.db2.gz VVBTWAPFZGKVAJ-OAHLLOKOSA-N 0 3 299.374 1.051 10 30 CDEEHN C#CCCN1CC[C@H]1CNC(=O)C(C)(C)N1CCCCC1 ZINC001733210410 1183336640 /nfs/dbraw/zinc/33/66/40/1183336640.db2.gz JMFJFGGIDNKNJA-HNNXBMFYSA-N 0 3 291.439 1.465 10 30 CDEEHN COCC#CCNC1(CNC(=O)[C@]23C[C@H]2CCC3)CC1 ZINC001733251578 1183370028 /nfs/dbraw/zinc/37/00/28/1183370028.db2.gz JUDAARRUMJMJDE-CZUORRHYSA-N 0 3 276.380 1.065 10 30 CDEEHN C=C[C@@](C)(CCOC)C(=O)NCC1(NCC#CC)CC1 ZINC001733252168 1183371010 /nfs/dbraw/zinc/37/10/10/1183371010.db2.gz UTGPWKBEWGVTLE-HNNXBMFYSA-N 0 3 278.396 1.477 10 30 CDEEHN C#CCNC1(CNC(=O)[C@H](CC)OC2CCCC2)CC1 ZINC001733257760 1183373774 /nfs/dbraw/zinc/37/37/74/1183373774.db2.gz BMYWKQTUSSGLQD-AWEZNQCLSA-N 0 3 278.396 1.596 10 30 CDEEHN C#CCNC1(CNC(=O)C[C@H]2OCCc3ccccc32)CC1 ZINC001733263379 1183375774 /nfs/dbraw/zinc/37/57/74/1183375774.db2.gz VVYMSHYMADRZOX-MRXNPFEDSA-N 0 3 298.386 1.562 10 30 CDEEHN C#CCN1CCC[C@](C)(CNC(=O)c2ccc[nH]2)C1 ZINC001733456748 1183437519 /nfs/dbraw/zinc/43/75/19/1183437519.db2.gz UAJDBYRJNVNNFO-OAHLLOKOSA-N 0 3 259.353 1.480 10 30 CDEEHN CC#CCN1CCC[C@@](C)(CNC(=O)Cc2ncc[nH]2)C1 ZINC001733465956 1183440477 /nfs/dbraw/zinc/44/04/77/1183440477.db2.gz STDYOEDUAHCSQG-INIZCTEOSA-N 0 3 288.395 1.194 10 30 CDEEHN C=C(C)CCC(=O)NC[C@]1(O)CCN(CCOC(C)C)C1 ZINC001733482740 1183444362 /nfs/dbraw/zinc/44/43/62/1183444362.db2.gz LHAGBBSLVRUACU-MRXNPFEDSA-N 0 3 298.427 1.321 10 30 CDEEHN C=C(C)CCC(=O)N1C[C@H]2CN(CC#CCOC)C[C@H]2C1 ZINC001733575660 1183469342 /nfs/dbraw/zinc/46/93/42/1183469342.db2.gz QNUZSYTVFBYHCV-IYBDPMFKSA-N 0 3 290.407 1.383 10 30 CDEEHN C#CCCCCCC(=O)N[C@]1(CO)CCCN(CC)C1 ZINC001733594001 1183475295 /nfs/dbraw/zinc/47/52/95/1183475295.db2.gz ZWCTUHUKGKOYKY-MRXNPFEDSA-N 0 3 280.412 1.533 10 30 CDEEHN C#CCNC[C@@H]1CN(C(=O)Cc2ccc(C)s2)CCO1 ZINC001733750867 1183517461 /nfs/dbraw/zinc/51/74/61/1183517461.db2.gz DDXQCXKVHKABBJ-CYBMUJFWSA-N 0 3 292.404 1.049 10 30 CDEEHN C#CC[NH2+]C1(C)CCN(C(=O)c2ccccc2[O-])CC1 ZINC001733854942 1183551282 /nfs/dbraw/zinc/55/12/82/1183551282.db2.gz BYVYZCYJNMMVLZ-UHFFFAOYSA-N 0 3 272.348 1.610 10 30 CDEEHN CC#CCN1CC[C@H](NC(=O)CCOCC)C[C@@H]1C ZINC001733892008 1183560005 /nfs/dbraw/zinc/56/00/05/1183560005.db2.gz OBBAKXGBVFOEMI-KBPBESRZSA-N 0 3 266.385 1.405 10 30 CDEEHN C=C(C)CN1CCC(CO)(NC(=O)[C@@H]2CCCCO2)CC1 ZINC001733913265 1183565679 /nfs/dbraw/zinc/56/56/79/1183565679.db2.gz LPJIVPGFNGBDQP-AWEZNQCLSA-N 0 3 296.411 1.075 10 30 CDEEHN C=CCN(C)[C@H](C)CNC(=O)c1c[nH]nc1-c1ccoc1 ZINC001734048854 1183635806 /nfs/dbraw/zinc/63/58/06/1183635806.db2.gz SELHAAFLNDQEIP-LLVKDONJSA-N 0 3 288.351 1.906 10 30 CDEEHN C=CCN(C)[C@H](C)CNC(=O)c1ccccc1OC ZINC001734057359 1183639319 /nfs/dbraw/zinc/63/93/19/1183639319.db2.gz DDVWOJBLJLZANS-GFCCVEGCSA-N 0 3 262.353 1.931 10 30 CDEEHN C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CN(CCOC)C1 ZINC001734122338 1183666715 /nfs/dbraw/zinc/66/67/15/1183666715.db2.gz QJOHCOKEPLHGNG-DOMZBBRYSA-N 0 3 268.401 1.672 10 30 CDEEHN CC[C@@H](F)CN1C[C@@H]2[C@@H](CNC(=O)C#CC3CC3)[C@@H]2C1 ZINC001734162277 1183679277 /nfs/dbraw/zinc/67/92/77/1183679277.db2.gz WROOWHHYQGOFDH-TUVASFSCSA-N 0 3 278.371 1.442 10 30 CDEEHN C#CCN(C)CCOCCNC(=O)c1scnc1CC ZINC001734276942 1183710414 /nfs/dbraw/zinc/71/04/14/1183710414.db2.gz BBBIMTPQGNTDLK-UHFFFAOYSA-N 0 3 295.408 1.017 10 30 CDEEHN C=CC(C)(C)C(=O)NC[C@@H](C)NC(=O)Cc1nc[nH]c1C ZINC001737578103 1184161685 /nfs/dbraw/zinc/16/16/85/1184161685.db2.gz TZEXYGBVRVHGGT-SNVBAGLBSA-N 0 3 292.383 1.094 10 30 CDEEHN C=CCN(C)C[C@@H]1CCCCN1C(=O)CCn1ccnc1 ZINC001750930937 1184783311 /nfs/dbraw/zinc/78/33/11/1184783311.db2.gz PHVHFQWSRKLOLJ-HNNXBMFYSA-N 0 3 290.411 1.772 10 30 CDEEHN C[C@@H]1CN(Cc2cncc(C#N)c2)CCN1CC(C)(C)O ZINC001771952316 1186977380 /nfs/dbraw/zinc/97/73/80/1186977380.db2.gz USCYJFYIBQIHKJ-CYBMUJFWSA-N 0 3 288.395 1.230 10 30 CDEEHN C=C(Cl)C[C@H](N)C(=O)N[C@H](C)C[C@H]1CCOC1 ZINC000876681434 1165892765 /nfs/dbraw/zinc/89/27/65/1165892765.db2.gz RLVHUHYYOJTLGD-MXWKQRLJSA-N 0 3 260.765 1.388 10 30 CDEEHN CC#CCN[C@H]1C[C@H](C)N(C(=O)CC2CCOCC2)C1 ZINC001571474069 1167598485 /nfs/dbraw/zinc/59/84/85/1167598485.db2.gz ZPRRLKGQHDKFLN-ZFWWWQNUSA-N 0 3 278.396 1.405 10 30 CDEEHN CC#CCNCCN(C)C(=O)C[C@H]1CCO[C@H](C(C)C)C1 ZINC001567586011 1168064740 /nfs/dbraw/zinc/06/47/40/1168064740.db2.gz KEBUKQGGOQTNEC-HOTGVXAUSA-N 0 3 294.439 1.899 10 30 CDEEHN C=CCN1CC[C@H](NC(=O)[C@@H](CC)NC(C)=O)[C@H]1CC ZINC001566022304 1168215748 /nfs/dbraw/zinc/21/57/48/1168215748.db2.gz KASJZKMDWBEEMO-HZSPNIEDSA-N 0 3 281.400 1.056 10 30 CDEEHN CC#CCN1CCC[C@H](CNC(=O)C2(COC)CC2)C1 ZINC001566875308 1168453497 /nfs/dbraw/zinc/45/34/97/1168453497.db2.gz SMVNMCHIOIJRQW-CQSZACIVSA-N 0 3 278.396 1.265 10 30 CDEEHN C#CCN1CCC[C@@H](CNC(=O)C/C=C(\C)C=C)C1 ZINC001566876776 1168454131 /nfs/dbraw/zinc/45/41/31/1168454131.db2.gz KVHGNKKLMQABRV-NHXNDTTKSA-N 0 3 260.381 1.970 10 30 CDEEHN C=CCN1CCCC[C@@H]1CNC(=O)C[C@@H](C)OC ZINC001566918651 1168467443 /nfs/dbraw/zinc/46/74/43/1168467443.db2.gz VQYYKSLGUIOEKH-CHWSQXEVSA-N 0 3 254.374 1.568 10 30 CDEEHN C=C(C)CCN1CC[C@@H]1CNC(=O)C1(CCOC)CC1 ZINC001483655059 912331136 /nfs/dbraw/zinc/33/11/36/912331136.db2.gz KRQUAOLPVHQFPE-CQSZACIVSA-N 0 3 280.412 1.960 10 30 CDEEHN C=C(C)CN1CC[C@H]1CNC(=O)[C@@H](CC)N(C)C ZINC001483660068 912397503 /nfs/dbraw/zinc/39/75/03/912397503.db2.gz XOGLEVHAMDFDSN-QWHCGFSZSA-N 0 3 253.390 1.093 10 30 CDEEHN C=C[C@@](C)(O)CC(=O)NC[C@H](C)NCc1cnccc1C ZINC001567010907 1168505291 /nfs/dbraw/zinc/50/52/91/1168505291.db2.gz BBJZOKLSOZVPRY-XJKSGUPXSA-N 0 3 291.395 1.311 10 30 CDEEHN C=CCC[C@H](C)N1CC[C@@H]1CNC(=O)c1cnco1 ZINC001483669485 912458691 /nfs/dbraw/zinc/45/86/91/912458691.db2.gz XDSMPKAEOQITSW-NWDGAFQWSA-N 0 3 263.341 1.833 10 30 CDEEHN C#CCO[C@H](C)C(=O)NC[C@@H](C)NCc1cccnc1C ZINC001567015076 1168509197 /nfs/dbraw/zinc/50/91/97/1168509197.db2.gz JCTXNBWIGYOLJM-TZMCWYRMSA-N 0 3 289.379 1.023 10 30 CDEEHN CC#CCN[C@H](C)CNC(=O)c1cc(C2CC2)n(C)n1 ZINC001567023042 1168515721 /nfs/dbraw/zinc/51/57/21/1168515721.db2.gz XRUXLKVUXPZNSN-LLVKDONJSA-N 0 3 274.368 1.029 10 30 CDEEHN CC#CCN[C@H](C)CNC(=O)c1cn(C)nc1C1CCC1 ZINC001567028974 1168519694 /nfs/dbraw/zinc/51/96/94/1168519694.db2.gz NXOGAGKSLBMEEE-GFCCVEGCSA-N 0 3 288.395 1.419 10 30 CDEEHN CC#CCN[C@@H](C)CNC(=O)c1cc(CCC)n[nH]1 ZINC001567041680 1168524781 /nfs/dbraw/zinc/52/47/81/1168524781.db2.gz BIYMACOTQZOFLT-NSHDSACASA-N 0 3 262.357 1.093 10 30 CDEEHN COCC#CCN[C@@H](C)CNC(=O)CC(F)(F)C(F)F ZINC001567054219 1168535205 /nfs/dbraw/zinc/53/52/05/1168535205.db2.gz MUTYAUNBOSKKBK-VIFPVBQESA-N 0 3 298.280 1.021 10 30 CDEEHN C=CCCN1CC[C@H]1CNC(=O)Cn1ncc2ccccc21 ZINC001483689813 912765361 /nfs/dbraw/zinc/76/53/61/912765361.db2.gz WSRWIAAYYNCHHK-HNNXBMFYSA-N 0 3 298.390 1.803 10 30 CDEEHN C#CCN(C)[C@H]1CCCN(C(=O)C2(CCF)CC2)C1 ZINC001567194786 1168614670 /nfs/dbraw/zinc/61/46/70/1168614670.db2.gz CEOYUAVIZYVPKB-ZDUSSCGKSA-N 0 3 266.360 1.682 10 30 CDEEHN C=CCCCN1CC[C@H]1CNC(=O)C1(C(=O)NC)CCC1 ZINC001483697888 912887808 /nfs/dbraw/zinc/88/78/08/912887808.db2.gz WOKJHWQYSICAMM-ZDUSSCGKSA-N 0 3 293.411 1.059 10 30 CDEEHN C#CCC[NH2+][C@H](C)CCNC(=O)c1ccccc1[O-] ZINC001567208633 1168619188 /nfs/dbraw/zinc/61/91/88/1168619188.db2.gz AIARSAUFCBVDMX-GFCCVEGCSA-N 0 3 260.337 1.514 10 30 CDEEHN C=CCOCCN(C)CCNC(=O)c1cc(C)cc(F)c1 ZINC001567305841 1168670558 /nfs/dbraw/zinc/67/05/58/1168670558.db2.gz QAJDSBLAKOWBGC-UHFFFAOYSA-N 0 3 294.370 1.998 10 30 CDEEHN C=C(C)CN(C)CCNC(=O)CCc1c(C)nn(C)c1C ZINC001266304070 894300976 /nfs/dbraw/zinc/30/09/76/894300976.db2.gz GVVVDOYIXAXUCF-UHFFFAOYSA-N 0 3 292.427 1.594 10 30 CDEEHN C=CCOCCN1CC[C@H](NC(=O)/C(C)=C\C)C1 ZINC001266315269 894343488 /nfs/dbraw/zinc/34/34/88/894343488.db2.gz RXNRCWDTZPBDBX-XLVZXTRVSA-N 0 3 252.358 1.346 10 30 CDEEHN C=CC(C)(C)CC(=O)N1CC[C@H](NCC(=O)N(C)CC)C1 ZINC001266529839 895242141 /nfs/dbraw/zinc/24/21/41/895242141.db2.gz NFFLFQLJFAWMEA-ZDUSSCGKSA-N 0 3 295.427 1.258 10 30 CDEEHN C#CCN1CCC[C@H]1C(=O)N1CC[C@H](NC[C@@H](F)CC)C1 ZINC001266532050 895250942 /nfs/dbraw/zinc/25/09/42/895250942.db2.gz RYGTUSZLMMXTII-KKUMJFAQSA-N 0 3 295.402 1.023 10 30 CDEEHN COCC#CCN1CC[C@@H](CNC(=O)CCCC(C)C)C1 ZINC001266537487 895277072 /nfs/dbraw/zinc/27/70/72/895277072.db2.gz MYRRDBXKUAHWGF-INIZCTEOSA-N 0 3 294.439 1.901 10 30 CDEEHN CC#CCN(CCC)CCNC(=O)c1cc(OC)ccn1 ZINC001266568131 895396445 /nfs/dbraw/zinc/39/64/45/895396445.db2.gz FLGKDHNFBQGULP-UHFFFAOYSA-N 0 3 289.379 1.555 10 30 CDEEHN CC#CCNCCN(C)C(=O)[C@H]1CCc2ccccc2C1 ZINC001266846699 896174126 /nfs/dbraw/zinc/17/41/26/896174126.db2.gz DUFDFMYJDJKCTL-KRWDZBQOSA-N 0 3 284.403 1.863 10 30 CDEEHN COCC#CCN[C@@H](C)CNC(=O)C[C@@H]1C=CCC1 ZINC001266922476 896351884 /nfs/dbraw/zinc/35/18/84/896351884.db2.gz OLPVDQSXIUCMPI-UONOGXRCSA-N 0 3 264.369 1.087 10 30 CDEEHN COCC#CCN[C@@H](C)CNC(=O)c1oc(C)cc1C ZINC001266930921 896373589 /nfs/dbraw/zinc/37/35/89/896373589.db2.gz DVWOUFHIJWKVGM-LBPRGKRZSA-N 0 3 278.352 1.254 10 30 CDEEHN COCC#CCN[C@H](C)CNC(=O)[C@@H]1CCC=CCCC1 ZINC001266949582 896418891 /nfs/dbraw/zinc/41/88/91/896418891.db2.gz UZFGQKYPMUVVCE-HZPDHXFCSA-N 0 3 292.423 1.867 10 30 CDEEHN C=C(C)C[C@@H](CO)NC(=O)NC[C@@H]1CCCCN1C ZINC001349330597 896427389 /nfs/dbraw/zinc/42/73/89/896427389.db2.gz PMXZIAUUBPVVJP-STQMWFEESA-N 0 3 269.389 1.097 10 30 CDEEHN C=C[C@@H](CC)CC(=O)NC[C@H](C)NCc1cn(C)nc1C ZINC001266963214 896453455 /nfs/dbraw/zinc/45/34/55/896453455.db2.gz BLYVDHBWNWYUDE-JSGCOSHPSA-N 0 3 292.427 1.925 10 30 CDEEHN CC#CCN[C@H](C)CNC(=O)c1ccc(C(C)C)cn1 ZINC001266971326 896468759 /nfs/dbraw/zinc/46/87/59/896468759.db2.gz LHYGUIVVRBDETR-CYBMUJFWSA-N 0 3 273.380 1.936 10 30 CDEEHN CC#CCN[C@@H](C)CNC(=O)c1cccc(N(C)C)c1 ZINC001266990001 896508010 /nfs/dbraw/zinc/50/80/10/896508010.db2.gz LJDSPYMJSQLUOM-ZDUSSCGKSA-N 0 3 273.380 1.484 10 30 CDEEHN C=CCN(C)CCNC(=O)c1cc(Br)co1 ZINC001267220025 897193616 /nfs/dbraw/zinc/19/36/16/897193616.db2.gz GATROVYMAYDINJ-UHFFFAOYSA-N 0 3 287.157 1.890 10 30 CDEEHN C#CCCN(C)CCNC(=O)[C@@H](C)Cc1ccco1 ZINC001267221337 897199742 /nfs/dbraw/zinc/19/97/42/897199742.db2.gz DQPHHIYJOMDBSK-ZDUSSCGKSA-N 0 3 262.353 1.530 10 30 CDEEHN C=CCN(C)CCNC(=O)c1cc(CC)c[nH]c1=O ZINC001267225134 897217692 /nfs/dbraw/zinc/21/76/92/897217692.db2.gz PRKDTYLTMRWPFV-UHFFFAOYSA-N 0 3 263.341 1.197 10 30 CDEEHN C=CCN1CCC[C@H]1CNC(=O)[C@@H](C)CCCOC ZINC001267279315 897452048 /nfs/dbraw/zinc/45/20/48/897452048.db2.gz BPUCBFCXBAILJG-KBPBESRZSA-N 0 3 268.401 1.816 10 30 CDEEHN CC#CCN1CC[C@@H](CNC(=O)[C@@H](C)C(F)(F)F)C1 ZINC001267298679 897508494 /nfs/dbraw/zinc/50/84/94/897508494.db2.gz QEKKBBLIWAGYQY-MNOVXSKESA-N 0 3 276.302 1.646 10 30 CDEEHN C#CCO[C@@H](C)C(=O)NCCN(CC=C(C)C)C1CC1 ZINC001267326393 897601824 /nfs/dbraw/zinc/60/18/24/897601824.db2.gz VBEIDXIGQXXVEW-AWEZNQCLSA-N 0 3 278.396 1.572 10 30 CDEEHN CC#CCNCCN(C)C(=O)c1occc1Br ZINC001567577479 1168868810 /nfs/dbraw/zinc/86/88/10/1168868810.db2.gz SWTPXDYROBZMES-UHFFFAOYSA-N 0 3 299.168 1.727 10 30 CDEEHN C=CCN[C@H](CNC(=O)CCOC)c1ccccc1 ZINC001267346394 897668595 /nfs/dbraw/zinc/66/85/95/897668595.db2.gz PSGQXHREZMKPLA-CQSZACIVSA-N 0 3 262.353 1.656 10 30 CDEEHN CC#CCNCCN(C)C(=O)c1ccn2c(C)cnc2c1 ZINC001267372725 897747370 /nfs/dbraw/zinc/74/73/70/897747370.db2.gz CSZVIECOCPMCEQ-UHFFFAOYSA-N 0 3 284.363 1.328 10 30 CDEEHN CC#CCNCCN(C)C(=O)c1scnc1CC ZINC001267379362 897781857 /nfs/dbraw/zinc/78/18/57/897781857.db2.gz CINACNSQCRMRBF-UHFFFAOYSA-N 0 3 265.382 1.390 10 30 CDEEHN CC#CCNCCN(C)C(=O)C[C@@H]1CCO[C@H](C(C)C)C1 ZINC001567586010 1168874458 /nfs/dbraw/zinc/87/44/58/1168874458.db2.gz KEBUKQGGOQTNEC-CVEARBPZSA-N 0 3 294.439 1.899 10 30 CDEEHN CCCN(C(=O)C#CC(C)C)[C@H]1CCN(C[C@@H](C)OC)C1 ZINC001267540594 898293740 /nfs/dbraw/zinc/29/37/40/898293740.db2.gz PMMVUNDIMYWIOV-CVEARBPZSA-N 0 3 294.439 1.994 10 30 CDEEHN CCCN(C(=O)[C@H](CC)N(C)C)[C@H]1CCN(CC#N)C1 ZINC001267547568 898318421 /nfs/dbraw/zinc/31/84/21/898318421.db2.gz PBILNSDKWAMSEF-KBPBESRZSA-N 0 3 280.416 1.163 10 30 CDEEHN C=C[C@](C)(CC)C(=O)NCC[C@H]1CCN(CC(=O)NC)C1 ZINC001267565565 898383522 /nfs/dbraw/zinc/38/35/22/898383522.db2.gz PKLQPXYYYRNZJQ-XJKSGUPXSA-N 0 3 295.427 1.163 10 30 CDEEHN C#CCN(CC)CCNC(=O)[C@H](c1ccccc1)N(C)C ZINC001481019628 898509685 /nfs/dbraw/zinc/50/96/85/898509685.db2.gz ZLYWGZYISCMWBW-INIZCTEOSA-N 0 3 287.407 1.361 10 30 CDEEHN C=CCC1(C(=O)NC[C@@H]2CCCN2C[C@H](C)O)CCC1 ZINC001481057682 898706096 /nfs/dbraw/zinc/70/60/96/898706096.db2.gz SVXTXVTWLOHMPQ-KBPBESRZSA-N 0 3 280.412 1.694 10 30 CDEEHN C#CCN1CC[C@H](CNC(=O)C2(CF)CCC2)C1 ZINC001481111913 898881493 /nfs/dbraw/zinc/88/14/93/898881493.db2.gz LBKOESSXZWJHPQ-GFCCVEGCSA-N 0 3 252.333 1.198 10 30 CDEEHN C=C(C)C(C)(C)C(=O)N[C@H]1CCN(CCCO)C1 ZINC001267728129 899410744 /nfs/dbraw/zinc/41/07/44/899410744.db2.gz VWZUBBPAFQZZLR-LBPRGKRZSA-N 0 3 254.374 1.162 10 30 CDEEHN CC#CCNCCN(C)C(=O)C[C@@H]1CCC[C@@H](OC)C1 ZINC001481240109 899579054 /nfs/dbraw/zinc/57/90/54/899579054.db2.gz XPVPUBQOUQPKLE-HUUCEWRRSA-N 0 3 280.412 1.653 10 30 CDEEHN CC#CCNCCN(C)C(=O)CCCC(F)(F)F ZINC001481284112 900052283 /nfs/dbraw/zinc/05/22/83/900052283.db2.gz UCXIAEHEDSSHNF-UHFFFAOYSA-N 0 3 264.291 1.790 10 30 CDEEHN CC#CCNCCN(C)C(=O)c1cc(C)n(C)c1C ZINC001481314555 900356200 /nfs/dbraw/zinc/35/62/00/900356200.db2.gz NLFXOWNRGKGXRE-UHFFFAOYSA-N 0 3 261.369 1.327 10 30 CDEEHN C#CCNCCN(C)C(=O)C1(CCOC)CCCC1 ZINC001481321738 900395729 /nfs/dbraw/zinc/39/57/29/900395729.db2.gz CUKHLRWOXODBDT-UHFFFAOYSA-N 0 3 266.385 1.265 10 30 CDEEHN C#CCN(C(=O)[C@H](CC)OC)C1CCN(CC=C)CC1 ZINC001483981636 915260082 /nfs/dbraw/zinc/26/00/82/915260082.db2.gz XTTDAGQQHKKYKK-HNNXBMFYSA-N 0 3 278.396 1.524 10 30 CDEEHN CC(C)C#CC(=O)N(C)[C@@H](C)CNCc1cncc(F)c1 ZINC001268061277 901068949 /nfs/dbraw/zinc/06/89/49/901068949.db2.gz UCBIYQOMVUSACK-ZDUSSCGKSA-N 0 3 291.370 1.817 10 30 CDEEHN 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1.815 10 30 CDEEHN COc1cc(CNC(=O)[C@@H](N)CCCCC#N)ccc1O ZINC000594437280 342899523 /nfs/dbraw/zinc/89/95/23/342899523.db2.gz VGCAMMGSIYOQDZ-LBPRGKRZSA-N 0 3 291.351 1.428 10 30 CDEEHN N#CCCCC[C@@H](N)C(=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000594440922 342907479 /nfs/dbraw/zinc/90/74/79/342907479.db2.gz JIDKVYCNURCOFN-QWHCGFSZSA-N 0 3 289.383 1.527 10 30 CDEEHN CN(CCC1CCOCC1)C(=O)[C@@H](N)CCCCC#N ZINC000594444091 342908070 /nfs/dbraw/zinc/90/80/70/342908070.db2.gz KLMSIYLYDUPXDV-AWEZNQCLSA-N 0 3 281.400 1.673 10 30 CDEEHN CCc1noc(CC)c1CNC(=O)[C@@H](N)CCCCC#N ZINC000594445168 342908468 /nfs/dbraw/zinc/90/84/68/342908468.db2.gz BABJJQWSAZJYTL-LBPRGKRZSA-N 0 3 292.383 1.827 10 30 CDEEHN CCN(CCc1nccs1)C(=O)[C@@H](N)CCCCC#N ZINC000594447541 342908986 /nfs/dbraw/zinc/90/89/86/342908986.db2.gz YHIYXNYGIXQOIR-LBPRGKRZSA-N 0 3 294.424 1.945 10 30 CDEEHN COc1c(C)cccc1CNC(=O)[C@H](N)CCCC#N ZINC000594446988 342909120 /nfs/dbraw/zinc/90/91/20/342909120.db2.gz CQNJBMOJZREZPG-CYBMUJFWSA-N 0 3 275.352 1.641 10 30 CDEEHN CN(CC(F)(F)F)C(=O)[C@@H](N)CCCCC#N ZINC000594449620 342909470 /nfs/dbraw/zinc/90/94/70/342909470.db2.gz LRNGQUNHWRRZOI-QMMMGPOBSA-N 0 3 251.252 1.418 10 30 CDEEHN N#CC1(C[C@@H](O)CNCc2ccc(F)cn2)CCOCC1 ZINC000600725195 342245261 /nfs/dbraw/zinc/24/52/61/342245261.db2.gz CWRLGCGRULAHKE-CQSZACIVSA-N 0 3 293.342 1.382 10 30 CDEEHN COc1ccncc1CNC[C@@H](O)CC1(C#N)CC1 ZINC000600740160 342246756 /nfs/dbraw/zinc/24/67/56/342246756.db2.gz TYJVOVOKTWSEOM-LBPRGKRZSA-N 0 3 261.325 1.235 10 30 CDEEHN CO[C@H]1C[C@@H](CNC(=O)C(C#N)Cc2ccc(C#N)cc2)C1 ZINC000600799189 342249996 /nfs/dbraw/zinc/24/99/96/342249996.db2.gz XNUAWMQBKNVZBZ-HRCADAONSA-N 0 3 297.358 1.782 10 30 CDEEHN N#Cc1cccc2c1CN(C(=O)N[C@@H](CN)C(F)(F)F)C2 ZINC000594525895 342917771 /nfs/dbraw/zinc/91/77/71/342917771.db2.gz XXXFAIZJBVNMAT-NSHDSACASA-N 0 3 298.268 1.473 10 30 CDEEHN N#CCCC[C@H](N)C(=O)NCC1(C#N)CCCCC1 ZINC000595258456 343013521 /nfs/dbraw/zinc/01/35/21/343013521.db2.gz MNDINASEVGIZPZ-LBPRGKRZSA-N 0 3 262.357 1.598 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/nfs/dbraw/zinc/76/31/41/343763141.db2.gz OFLAVOCNGAEHFA-GFCCVEGCSA-N 0 3 251.374 1.917 10 30 CDEEHN Cc1cc(C(=O)N2CCN[C@@H](C(C)C)C2)ncc1C#N ZINC000598571117 343832273 /nfs/dbraw/zinc/83/22/73/343832273.db2.gz GKTJJWRSJJHHIH-CQSZACIVSA-N 0 3 272.352 1.332 10 30 CDEEHN CC(C)[C@@H]1CN(C(=O)CC2(C#N)CCOCC2)CCN1 ZINC000598576591 343834031 /nfs/dbraw/zinc/83/40/31/343834031.db2.gz XHZKSEIKQRGKPN-ZDUSSCGKSA-N 0 3 279.384 1.153 10 30 CDEEHN C=CCN(C)CCN(CC)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC001658465859 1172038902 /nfs/dbraw/zinc/03/89/02/1172038902.db2.gz AYTJUVLOVZJCIG-ARFHVFGLSA-N 0 3 293.455 1.873 10 30 CDEEHN Cn1nccc1[C@@H](CO)NC1CCC(C)(C#N)CC1 ZINC000599056117 343946754 /nfs/dbraw/zinc/94/67/54/343946754.db2.gz RPPFUFNQTWAZSJ-MBHSVXNSSA-N 0 3 262.357 1.516 10 30 CDEEHN C=CC[C@@H]1CCCN(C[C@H](O)CC(=O)OCC)C1 ZINC000599465666 344059317 /nfs/dbraw/zinc/05/93/17/344059317.db2.gz OGUDSPDHLKXXKT-CHWSQXEVSA-N 0 3 255.358 1.589 10 30 CDEEHN C=CC[C@H]1CCN(CC(=O)NC(=O)NCC(C)C)C1 ZINC000599526925 344075240 /nfs/dbraw/zinc/07/52/40/344075240.db2.gz WOXNZCGHHOFDMY-LBPRGKRZSA-N 0 3 267.373 1.366 10 30 CDEEHN CN1CC[C@@H]2CN(C(=O)C3(C#N)CC4(CC4)C3)C[C@@H]21 ZINC000601617175 344203889 /nfs/dbraw/zinc/20/38/89/344203889.db2.gz IESZCOPQMMQSCI-NEPJUHHUSA-N 0 3 259.353 1.233 10 30 CDEEHN COCCC1(C)CN(C[C@H](O)CC2(C#N)CCOCC2)C1 ZINC000601960496 344296165 /nfs/dbraw/zinc/29/61/65/344296165.db2.gz XKEIAAJTJJAIKB-CQSZACIVSA-N 0 3 296.411 1.416 10 30 CDEEHN C[C@@H]1C[C@H](Nc2cc(C#N)nc(C3CC3)n2)CCN1C ZINC000601119334 349909378 /nfs/dbraw/zinc/90/93/78/349909378.db2.gz QPSSLZFJYLCQCR-ZYHUDNBSSA-N 0 3 271.368 1.542 10 30 CDEEHN CC(C)(C#N)C[C@@H](O)CN[C@@H]1CCCn2nccc21 ZINC000601970516 344299892 /nfs/dbraw/zinc/29/98/92/344299892.db2.gz LCDRBLVOKMNRMO-VXGBXAGGSA-N 0 3 262.357 1.608 10 30 CDEEHN C=C[C@H](C(=O)OC)N1CCN(C)[C@@H](C(C)(C)C)C1 ZINC000602873022 344642101 /nfs/dbraw/zinc/64/21/01/344642101.db2.gz GKKDRNRKIRWASK-VXGBXAGGSA-N 0 3 254.374 1.376 10 30 CDEEHN C=CCOc1ccc(CN[C@H]2CCC(=O)N(C)C2)cc1 ZINC000084061696 178781906 /nfs/dbraw/zinc/78/19/06/178781906.db2.gz ZMEZIUMADVZITA-AWEZNQCLSA-N 0 3 274.364 1.962 10 30 CDEEHN N#Cc1ccc(S(=O)(=O)[N-][C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000230370058 345311522 /nfs/dbraw/zinc/31/15/22/345311522.db2.gz SDFSBSYCAGCTLB-WCBMZHEXSA-N 0 3 285.394 1.025 10 30 CDEEHN C[C@@]1(C(=O)N2Cc3cccc(C#N)c3C2)CCCCN1 ZINC000405058474 345367480 /nfs/dbraw/zinc/36/74/80/345367480.db2.gz PANHVMSCRGJSGE-INIZCTEOSA-N 0 3 269.348 1.933 10 30 CDEEHN COCCN(Cc1ccc(C#N)cc1)C[C@H](C)CO ZINC000120727222 345457947 /nfs/dbraw/zinc/45/79/47/345457947.db2.gz OEVYGSIEBIFADT-ZDUSSCGKSA-N 0 3 262.353 1.635 10 30 CDEEHN CN(Cc1ccc(C#N)cc1)[C@H]1CCN2CCO[C@H]1C2 ZINC000295115660 199353604 /nfs/dbraw/zinc/35/36/04/199353604.db2.gz MKGRJMLSEDOQDS-HOTGVXAUSA-N 0 3 271.364 1.463 10 30 CDEEHN CC(C#N)C(=O)N1CCC[C@@H](c2noc(C3CC3)n2)C1 ZINC000610255384 346231222 /nfs/dbraw/zinc/23/12/22/346231222.db2.gz FSPWSBOEQRHXLI-GXSJLCMTSA-N 0 3 274.324 1.813 10 30 CDEEHN CN(CCCC(C)(C)C#N)CCN1CCCS1(=O)=O ZINC000610604406 346323398 /nfs/dbraw/zinc/32/33/98/346323398.db2.gz QMQRUHJQSPVRLT-UHFFFAOYSA-N 0 3 287.429 1.284 10 30 CDEEHN CCN[C@H]1CCN(c2cc(Cl)ccc2C#N)C1=O ZINC000086115332 179234277 /nfs/dbraw/zinc/23/42/77/179234277.db2.gz KQAYFHJUULQFNM-NSHDSACASA-N 0 3 263.728 1.926 10 30 CDEEHN CCO[C@H]1C[C@@](CO)(NCc2ccnc(C#N)c2)C1(C)C ZINC000614928771 348278053 /nfs/dbraw/zinc/27/80/53/348278053.db2.gz SACCSEGXLJENOU-HOCLYGCPSA-N 0 3 289.379 1.609 10 30 CDEEHN C[C@@H]1CCC[C@H](C)N1CCNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615539731 348580194 /nfs/dbraw/zinc/58/01/94/348580194.db2.gz MUKIWQJOLNWZCM-VNHYZAJKSA-N 0 3 296.390 1.896 10 30 CDEEHN C=CCN(CC=C)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000063650997 348927536 /nfs/dbraw/zinc/92/75/36/348927536.db2.gz IOCIPGCWIARYSM-ZDUSSCGKSA-N 0 3 291.347 1.829 10 30 CDEEHN C=CCCOCCNC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000623809817 349305022 /nfs/dbraw/zinc/30/50/22/349305022.db2.gz VMZXOYCYFCXSCO-HNNXBMFYSA-N 0 3 295.427 1.895 10 30 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/nfs/dbraw/zinc/65/78/72/1183657872.db2.gz DZHGCVCGTNIJED-LSDHHAIUSA-N 0 3 280.412 1.796 10 30 CDEEHN C#CCC[NH2+]C[C@H]1C[C@H](NC(=O)c2cccc3n[n-]nc32)C1 ZINC001734208402 1183691489 /nfs/dbraw/zinc/69/14/89/1183691489.db2.gz LJIYHLLEOUOLSL-HAQNSBGRSA-N 0 3 297.362 1.079 10 30 CDEEHN C=CCCO[C@@H](C)C(=O)N1CCC(N(C)CCF)CC1 ZINC001734266750 1183708991 /nfs/dbraw/zinc/70/89/91/1183708991.db2.gz IIZGWDJKYZROAZ-ZDUSSCGKSA-N 0 3 286.391 1.860 10 30 CDEEHN CC#CCN[C@H](C)CN(C)C(=O)CO[C@H](C)CC ZINC001734319653 1183728585 /nfs/dbraw/zinc/72/85/85/1183728585.db2.gz FYCQCZVDEYDTBH-CHWSQXEVSA-N 0 3 254.374 1.261 10 30 CDEEHN CC#CCN[C@@H](C)CN(C)C(=O)c1ccnn1CC(C)C ZINC001734327297 1183733340 /nfs/dbraw/zinc/73/33/40/1183733340.db2.gz VESVGOPLAKYSAE-AWEZNQCLSA-N 0 3 290.411 1.613 10 30 CDEEHN C=CCCC[NH2+][C@H](CO)CNC(=O)c1ccccc1[O-] ZINC001734362225 1183748453 /nfs/dbraw/zinc/74/84/53/1183748453.db2.gz RGBLSKODBYKNMG-LBPRGKRZSA-N 0 3 278.352 1.039 10 30 CDEEHN C=CCCC(=O)NC[C@H](CO)N[C@H](C)c1ccccc1 ZINC001734363542 1183748511 /nfs/dbraw/zinc/74/85/11/1183748511.db2.gz ZGFOPJCBFLBSCD-UKRRQHHQSA-N 0 3 276.380 1.781 10 30 CDEEHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2ncnc3[nH]ccc32)C1 ZINC001734418651 1183772420 /nfs/dbraw/zinc/77/24/20/1183772420.db2.gz MKADDRFVAAJANA-RYUDHWBXSA-N 0 3 297.362 1.125 10 30 CDEEHN CC#CCN[C@@H]1C[C@H](C)N(C(=O)c2cc(CC)on2)C1 ZINC001734427454 1183774626 /nfs/dbraw/zinc/77/46/26/1183774626.db2.gz PGCDBTYCYDMZGZ-NWDGAFQWSA-N 0 3 275.352 1.453 10 30 CDEEHN C=CCN1CC=C(CNC(=O)[C@@H](OCC)C2CC2)CC1 ZINC001734626717 1183854280 /nfs/dbraw/zinc/85/42/80/1183854280.db2.gz VYOGGTULDATGSB-HNNXBMFYSA-N 0 3 278.396 1.736 10 30 CDEEHN C#C[C@@H](C)N(C)c1nnc(C2CC2)n1CCN1CC=CCC1 ZINC001740550000 1184518767 /nfs/dbraw/zinc/51/87/67/1184518767.db2.gz ONGSUCYMXHQORV-CQSZACIVSA-N 0 3 299.422 1.875 10 30 CDEEHN C=CCN1CC[C@H](NC(=O)CCc2c(C)noc2C)[C@H]1C ZINC001750929039 1184782817 /nfs/dbraw/zinc/78/28/17/1184782817.db2.gz BMKBCSMOVQMLHZ-DOMZBBRYSA-N 0 3 291.395 1.989 10 30 CDEEHN 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N#CCCC[C@H](N)C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000711839527 745931206 /nfs/dbraw/zinc/93/12/06/745931206.db2.gz CLPUYIPHSZKQQJ-IHRRRGAJSA-N 0 3 279.384 1.329 10 30 CDEEHN C=CCNC(=O)C(C#N)C(=O)[C@@H](OC)[C@@H](C)CC ZINC000796636536 746011273 /nfs/dbraw/zinc/01/12/73/746011273.db2.gz PGHPUDDBMYUHTL-UMNHJUIQSA-N 0 3 252.314 1.059 10 30 CDEEHN C#Cc1ccc(CNC(=O)N[C@H]2CCN(C)[C@H]2C)cc1 ZINC000922666683 746121697 /nfs/dbraw/zinc/12/16/97/746121697.db2.gz UXRWYCFWBQVWDU-WFASDCNBSA-N 0 3 271.364 1.560 10 30 CDEEHN CN(C)C[C@@H](CO)Nc1cc(C(F)(F)F)cc(C#N)n1 ZINC000865807869 746219286 /nfs/dbraw/zinc/21/92/86/746219286.db2.gz SRQKAXADNNFJLU-JTQLQIEISA-N 0 3 288.273 1.306 10 30 CDEEHN C#CCNC(=O)CCN1CC[C@@H](C(F)(F)F)O[C@@H](C)C1 ZINC000880067821 746547054 /nfs/dbraw/zinc/54/70/54/746547054.db2.gz XMDZGWBZEGCTSQ-QWRGUYRKSA-N 0 3 292.301 1.168 10 30 CDEEHN C=C(Cl)C[C@@H](N)C(=O)N(C)Cc1ccc(OC)nc1 ZINC000876959038 746567913 /nfs/dbraw/zinc/56/79/13/746567913.db2.gz OIASCMSSMIYFKQ-LLVKDONJSA-N 0 3 283.759 1.519 10 30 CDEEHN CCN(CC)CCNS(=O)(=O)c1cc(F)cc(C#N)c1 ZINC000720025024 746756391 /nfs/dbraw/zinc/75/63/91/746756391.db2.gz HIAOKEQIVLLHHK-UHFFFAOYSA-N 0 3 299.371 1.317 10 30 CDEEHN C=C(Cl)C[C@@H](N)C(=O)Nc1cnc2onc(C)c2c1 ZINC000876748542 746828246 /nfs/dbraw/zinc/82/82/46/746828246.db2.gz FCPWWWLEYHQRPV-SNVBAGLBSA-N 0 3 280.715 1.940 10 30 CDEEHN CCCSCC(=O)C(C#N)C(=O)NC1CCCC1 ZINC000125732634 746862722 /nfs/dbraw/zinc/86/27/22/746862722.db2.gz RJLFPKSGRJVUMO-NSHDSACASA-N 0 3 268.382 1.897 10 30 CDEEHN C#C[C@@H](NCc1ccnn1CC1CC1)C1CCOCC1 ZINC000827555674 746864275 /nfs/dbraw/zinc/86/42/75/746864275.db2.gz YYCFTJDFOQIXSG-MRXNPFEDSA-N 0 3 273.380 1.811 10 30 CDEEHN C[C@@H](C#N)OCCN1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000801926431 746874234 /nfs/dbraw/zinc/87/42/34/746874234.db2.gz QKTGYAPUDSJDQI-RYUDHWBXSA-N 0 3 268.357 1.579 10 30 CDEEHN C#CCCCS(=O)(=O)Nc1cc(C)nc2c1CCCC2 ZINC000840951340 746876270 /nfs/dbraw/zinc/87/62/70/746876270.db2.gz WLTKDKFOYUMBBC-UHFFFAOYSA-N 0 3 292.404 1.846 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NDOLMFBDLCLNEF-NWDGAFQWSA-N 0 3 299.802 1.070 10 30 CDEEHN C#C[C@@H](NC(=O)N(CC)[C@@H]1CCN(C)C1)C(C)C ZINC000854067505 747358960 /nfs/dbraw/zinc/35/89/60/747358960.db2.gz ADFWWECLYYKZJZ-CHWSQXEVSA-N 0 3 251.374 1.380 10 30 CDEEHN N#CCC1CCN(C[C@@H](O)c2ccc(F)cn2)CC1 ZINC000799318776 747396996 /nfs/dbraw/zinc/39/69/96/747396996.db2.gz MKCCGFDYUYUPET-CQSZACIVSA-N 0 3 263.316 1.880 10 30 CDEEHN C=C(Cl)C[C@H](N)C(=O)N[C@@H]1CCc2cc(N)ccc21 ZINC000876967592 747453689 /nfs/dbraw/zinc/45/36/89/747453689.db2.gz IQYVFSYDGLEETK-QWHCGFSZSA-N 0 3 279.771 1.842 10 30 CDEEHN CC1(C#N)CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000779880228 747704854 /nfs/dbraw/zinc/70/48/54/747704854.db2.gz YMBCSDCWUIUPHY-AWEZNQCLSA-N 0 3 288.347 1.944 10 30 CDEEHN C=CCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1C1CCCC1 ZINC000845443476 747803268 /nfs/dbraw/zinc/80/32/68/747803268.db2.gz XSFBTFXEAUCSQO-RWMBFGLXSA-N 0 3 260.337 1.824 10 30 CDEEHN C(=Nn1cccn1)C1(CN2CCOCC2)CCCCC1 ZINC000863164450 747812126 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276.302 1.860 10 30 CDEEHN CC#CCNC/C=C/CNC(=O)c1ncoc1C(C)C ZINC001732923816 1183186935 /nfs/dbraw/zinc/18/69/35/1183186935.db2.gz NNPDGFJWQAMJQG-VOTSOKGWSA-N 0 3 275.352 1.697 10 30 CDEEHN COCC#CCNC[C@@H](C)NC(=O)C[C@H]1C=CCCC1 ZINC001732960312 1183205902 /nfs/dbraw/zinc/20/59/02/1183205902.db2.gz OPJVOVJGXUEXQZ-CABCVRRESA-N 0 3 278.396 1.477 10 30 CDEEHN C=CCCC(=O)N[C@@H](C)CNCC(=O)N1CCCC[C@@H]1C ZINC001732989267 1183222064 /nfs/dbraw/zinc/22/20/64/1183222064.db2.gz GZZRBDINGGACHD-KBPBESRZSA-N 0 3 295.427 1.448 10 30 CDEEHN C=CCN(C)C[C@H](C)NC(=O)c1cc(C2CC2)nn1C ZINC001733036114 1183254362 /nfs/dbraw/zinc/25/43/62/1183254362.db2.gz SQPOXVHAXPJQEM-NSHDSACASA-N 0 3 276.384 1.534 10 30 CDEEHN CC#CCNC1(CNC(=O)C[C@@H]2CC(C)(C)CO2)CC1 ZINC001733250719 1183370425 /nfs/dbraw/zinc/37/04/25/1183370425.db2.gz QBSGEFIGXAXZSM-CYBMUJFWSA-N 0 3 278.396 1.453 10 30 CDEEHN CC#CCNC1(CNC(=O)C[C@@H]2CC[C@@H](C3CC3)O2)CC1 ZINC001733252753 1183371832 /nfs/dbraw/zinc/37/18/32/1183371832.db2.gz 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C[C@@H](CN(C)C(=O)C#CC1CC1)NCc1cncc(F)c1 ZINC001734324370 1183732588 /nfs/dbraw/zinc/73/25/88/1183732588.db2.gz XLWOGWPVOVNJAP-LBPRGKRZSA-N 0 3 289.354 1.571 10 30 CDEEHN C[C@H](N[C@H](CO)CNC(=O)C#CC1CC1)c1ccccc1 ZINC001734366358 1183750411 /nfs/dbraw/zinc/75/04/11/1183750411.db2.gz OVPSVPCFPUTEED-BBRMVZONSA-N 0 3 286.375 1.228 10 30 CDEEHN C=CCN[C@H](CO)CNC(=O)CC1(c2ccccc2)CC1 ZINC001734370539 1183751522 /nfs/dbraw/zinc/75/15/22/1183751522.db2.gz WKXBAZDZHICECF-HNNXBMFYSA-N 0 3 288.391 1.361 10 30 CDEEHN C=CCN[C@H](CO)CNC(=O)c1ccc(CC)s1 ZINC001734374006 1183751761 /nfs/dbraw/zinc/75/17/61/1183751761.db2.gz PIZYJOVPZWSARS-JTQLQIEISA-N 0 3 268.382 1.177 10 30 CDEEHN C=CCN[C@@H](CO)CNC(=O)CC1(c2ccccc2)CC1 ZINC001734370540 1183752175 /nfs/dbraw/zinc/75/21/75/1183752175.db2.gz WKXBAZDZHICECF-OAHLLOKOSA-N 0 3 288.391 1.361 10 30 CDEEHN C=CCN[C@@H](CO)CNC(=O)c1ccc(OC)cc1Cl ZINC001734378072 1183753351 /nfs/dbraw/zinc/75/33/51/1183753351.db2.gz HHOUFGRKLHVHAJ-SNVBAGLBSA-N 0 3 298.770 1.215 10 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292.383 1.094 10 30 CDEEHN C=CC(C)(C)C(=O)NC1CN(C(=O)CN(C)C2CCC2)C1 ZINC001738018214 1184243793 /nfs/dbraw/zinc/24/37/93/1184243793.db2.gz AUUPMOQUGSZUJO-UHFFFAOYSA-N 0 3 293.411 1.010 10 30 CDEEHN C=C(C)CCC(=O)N[C@@H](C)CNC(=O)CN1CCC[C@@H]1C ZINC001738590332 1184337559 /nfs/dbraw/zinc/33/75/59/1184337559.db2.gz BCMXMADPWMNYJC-KBPBESRZSA-N 0 3 295.427 1.448 10 30 CDEEHN CC1(C#N)CCN(C[C@H](O)CC2(C#N)CCOCC2)CC1 ZINC001771818807 1184763454 /nfs/dbraw/zinc/76/34/54/1184763454.db2.gz ZSEYCPLWKJQPIW-CQSZACIVSA-N 0 3 291.395 1.683 10 30 CDEEHN C#CCN1CC[C@H](NC(=O)[C@H](F)CC)CC(C)(C)C1 ZINC001750943264 1184784113 /nfs/dbraw/zinc/78/41/13/1184784113.db2.gz DZYVGKVKTDQINJ-QWHCGFSZSA-N 0 3 268.376 1.975 10 30 CDEEHN C=CCCC(=O)N1CCC(NC(=O)CN(C)CCC)CC1 ZINC001758289438 1186308797 /nfs/dbraw/zinc/30/87/97/1186308797.db2.gz HNRIKETYGSNWSZ-UHFFFAOYSA-N 0 3 295.427 1.402 10 30 CDEEHN CCOCCN(CC)C[C@H](O)c1cccc(C#N)c1 ZINC000402353517 1186441563 /nfs/dbraw/zinc/44/15/63/1186441563.db2.gz 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/nfs/dbraw/zinc/67/76/47/1165677647.db2.gz NNRNRBYXTGGCKW-HUUCEWRRSA-N 0 3 269.348 1.372 10 30 CDEEHN C#CCCCCCCN1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000876582322 1165876832 /nfs/dbraw/zinc/87/68/32/1165876832.db2.gz WGSVLIKXOUFTTN-CQSZACIVSA-N 0 3 286.441 1.584 10 30 CDEEHN C=C(Cl)C[C@@H](N)C(=O)NC[C@H](O)c1ccccc1OC ZINC000876600845 1165878042 /nfs/dbraw/zinc/87/80/42/1165878042.db2.gz JUVJSLWCEJVLSE-NEPJUHHUSA-N 0 3 298.770 1.315 10 30 CDEEHN C=C(Cl)C[C@H](N)C(=O)N(CC)CCc1ccccn1 ZINC000876734549 1165905086 /nfs/dbraw/zinc/90/50/86/1165905086.db2.gz GVUXWPBWRKENTI-ZDUSSCGKSA-N 0 3 281.787 1.943 10 30 CDEEHN C#CCCCCCCN1CC[C@H](NS(C)(=O)=O)C1 ZINC000876749627 1165907176 /nfs/dbraw/zinc/90/71/76/1165907176.db2.gz BIQKLKVHFSNAHT-ZDUSSCGKSA-N 0 3 272.414 1.194 10 30 CDEEHN C=C(Cl)C[C@@H](N)C(=O)NCC1(CCOC)CC1 ZINC000876898821 1165936515 /nfs/dbraw/zinc/93/65/15/1165936515.db2.gz DOFGZTBABMUAAE-SNVBAGLBSA-N 0 3 260.765 1.389 10 30 CDEEHN C=C(Cl)C[C@@H](N)C(=O)N(C)[C@@H](C)C(=O)NC(C)(C)C 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ZINC000878124967 1166147131 /nfs/dbraw/zinc/14/71/31/1166147131.db2.gz LKNZHLQMECHKRM-ZDUSSCGKSA-N 0 3 257.399 1.547 10 30 CDEEHN C#CCCCCCN1CCN(C(C)(C)C(=O)OC)CC1 ZINC000878460200 1166191115 /nfs/dbraw/zinc/19/11/15/1166191115.db2.gz JFYKVXDBAPJAKS-UHFFFAOYSA-N 0 3 280.412 1.749 10 30 CDEEHN CC#CCN1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879978264 1166433176 /nfs/dbraw/zinc/43/31/76/1166433176.db2.gz VTEXFDONPLJUBD-RBSFLKMASA-N 0 3 278.396 1.141 10 30 CDEEHN C=CCN(C)CCN(CC)C(=O)[C@@H]1CCN(C(=O)CC)C1 ZINC001635757681 1166617691 /nfs/dbraw/zinc/61/76/91/1166617691.db2.gz IBTWVCIKRYOSDM-CQSZACIVSA-N 0 3 295.427 1.211 10 30 CDEEHN C=CCN(C)CCN(CC)C(=O)c1ncccc1OC ZINC001635757735 1166617548 /nfs/dbraw/zinc/61/75/48/1166617548.db2.gz KDRGFKKMJIWKSZ-UHFFFAOYSA-N 0 3 277.368 1.670 10 30 CDEEHN C#CC1(O)CCN(CCOc2ccccc2OCC)CC1 ZINC000931143649 1166767778 /nfs/dbraw/zinc/76/77/78/1166767778.db2.gz JVCKTLCEFZVNKR-UHFFFAOYSA-N 0 3 289.375 1.924 10 30 CDEEHN 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/nfs/dbraw/zinc/75/33/16/1168753316.db2.gz UNQPOGGTUASHKT-UHFFFAOYSA-N 0 3 275.352 1.165 10 30 CDEEHN C#CCN(CCC)CCNC(=O)COc1ccsc1 ZINC001567431832 1168756150 /nfs/dbraw/zinc/75/61/50/1168756150.db2.gz SZKJTPCOSNSQRK-UHFFFAOYSA-N 0 3 280.393 1.588 10 30 CDEEHN C=CCOCCN(C)CCNC(=O)c1cc(C)c(C)o1 ZINC001266267470 894000622 /nfs/dbraw/zinc/00/06/22/894000622.db2.gz FAKIBCWJPCCDOW-UHFFFAOYSA-N 0 3 280.368 1.761 10 30 CDEEHN CC(C)OCC(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001567471954 1168787833 /nfs/dbraw/zinc/78/78/33/1168787833.db2.gz JFBFXRCNGNMMFS-UHFFFAOYSA-N 0 3 289.379 1.531 10 30 CDEEHN CC#CCCCC(=O)N[C@@H]1CCN(CCOC2CCC2)C1 ZINC001266336829 894433317 /nfs/dbraw/zinc/43/33/17/894433317.db2.gz WUODTXBTAGQDRY-OAHLLOKOSA-N 0 3 292.423 1.940 10 30 CDEEHN C#CCCN(C)CCNC(=O)c1cncc(C(F)(F)F)c1 ZINC001266344459 894474054 /nfs/dbraw/zinc/47/40/54/894474054.db2.gz JYZKZHOSVUHYIU-UHFFFAOYSA-N 0 3 299.296 1.785 10 30 CDEEHN C#CCN1CCC2(C[C@H]2NC(=O)COC(C)C)CC1 ZINC001266366152 894588118 /nfs/dbraw/zinc/58/81/18/894588118.db2.gz NSOPAHQLMOMFOH-CYBMUJFWSA-N 0 3 264.369 1.015 10 30 CDEEHN C=CCNC(=O)CNCCN(C)C(=O)CC1(C)CCCC1 ZINC001567489206 1168807107 /nfs/dbraw/zinc/80/71/07/1168807107.db2.gz GJZFCCVEJAOCDG-UHFFFAOYSA-N 0 3 295.427 1.307 10 30 CDEEHN CC(C)(C(=O)NC[C@H]1CCN(CC#N)C1)N1CCCCC1 ZINC001266514715 895183650 /nfs/dbraw/zinc/18/36/50/895183650.db2.gz UVNWJJDXQHBXAM-CQSZACIVSA-N 0 3 292.427 1.213 10 30 CDEEHN COCC#CCN1CC[C@@H](CNC(=O)C[C@H](C)C2CC2)C1 ZINC001266550734 895325410 /nfs/dbraw/zinc/32/54/10/895325410.db2.gz BZOQGTBUHWGKLU-GJZGRUSLSA-N 0 3 292.423 1.511 10 30 CDEEHN C=CCCC(=O)N[C@H]1C[C@@H](NCc2oc(C)nc2C)C1 ZINC001266671861 895766403 /nfs/dbraw/zinc/76/64/03/895766403.db2.gz DZAZVBZNLKDELJ-BETUJISGSA-N 0 3 277.368 1.994 10 30 CDEEHN CC#CCN1CCC[C@H](CNC(=O)C(C)(F)F)C1 ZINC001266737533 895945695 /nfs/dbraw/zinc/94/56/95/895945695.db2.gz WTCXRAVLHCCOJW-LLVKDONJSA-N 0 3 258.312 1.493 10 30 CDEEHN COCC#CCN[C@H](C)CNC(=O)C1C=CC=CC=C1 ZINC001266944309 896405364 /nfs/dbraw/zinc/40/53/64/896405364.db2.gz XSLMEGZXDBSUMN-CQSZACIVSA-N 0 3 274.364 1.029 10 30 CDEEHN C=C(C)CN(CC)C(=O)CN[C@H](C)CNC(=O)[C@H]1C[C@@H]1C ZINC001266960682 896446683 /nfs/dbraw/zinc/44/66/83/896446683.db2.gz DUNFYGWACWUDTQ-MJBXVCDLSA-N 0 3 295.427 1.161 10 30 CDEEHN C=C[C@@](C)(O)CC(=O)NCC[C@@H](C)NCc1cnc(C)o1 ZINC001267124996 896865803 /nfs/dbraw/zinc/86/58/03/896865803.db2.gz LVLRHNAFDUIVRK-IAQYHMDHSA-N 0 3 295.383 1.295 10 30 CDEEHN C#CCCN(C)CCNC(=O)c1snnc1C1CC1 ZINC001267200661 897132100 /nfs/dbraw/zinc/13/21/00/897132100.db2.gz OZGKLOUVHQEOLW-UHFFFAOYSA-N 0 3 278.381 1.100 10 30 CDEEHN C=C(C)CN(C)CCNC(=O)Cc1c[nH]c2cnccc12 ZINC001267213349 897171024 /nfs/dbraw/zinc/17/10/24/897171024.db2.gz IQOFQHVHFZIMOV-UHFFFAOYSA-N 0 3 286.379 1.730 10 30 CDEEHN C=C(C)CN(C)CCNC(=O)c1ccnc(C2CC2)n1 ZINC001267220282 897194113 /nfs/dbraw/zinc/19/41/13/897194113.db2.gz OADBHIORIIFULL-UHFFFAOYSA-N 0 3 274.368 1.592 10 30 CDEEHN C#CCCN(C)CCNC(=O)c1cc(CC)c[nH]c1=O ZINC001267224960 897219865 /nfs/dbraw/zinc/21/98/65/897219865.db2.gz NTZMRVPCJSNFDP-UHFFFAOYSA-N 0 3 275.352 1.035 10 30 CDEEHN Cc1cccnc1CN1CC[C@H](CNC(=O)C#CC2CC2)C1 ZINC001267293312 897493966 /nfs/dbraw/zinc/49/39/66/897493966.db2.gz PYXAEICEALNHEA-MRXNPFEDSA-N 0 3 297.402 1.742 10 30 CDEEHN C#CCN(CCC)CCNC(=O)[C@@H]1CCO[C@@H](C)C1 ZINC001267318029 897573554 /nfs/dbraw/zinc/57/35/54/897573554.db2.gz FIQFKCMTBQQGDD-UONOGXRCSA-N 0 3 266.385 1.263 10 30 CDEEHN C=CCN(CCNC(=O)C[C@@H](C)SC)C1CC1 ZINC001267325445 897597081 /nfs/dbraw/zinc/59/70/81/897597081.db2.gz HFKZQYSNNIATOK-LLVKDONJSA-N 0 3 256.415 1.895 10 30 CDEEHN C=CCNC(=O)CNCCN(C)C(=O)c1ccc(C)s1 ZINC001267341864 897651515 /nfs/dbraw/zinc/65/15/15/897651515.db2.gz YUXOXJXUVHVYJI-UHFFFAOYSA-N 0 3 295.408 1.020 10 30 CDEEHN C#CCNCCN(C)C(=O)c1coc(C(C)(C)C)n1 ZINC001267372162 897740278 /nfs/dbraw/zinc/74/02/78/897740278.db2.gz HVMNTVINAYCROM-UHFFFAOYSA-N 0 3 263.341 1.267 10 30 CDEEHN COCC#CCNCCN(C)C(=O)c1cccc(C)c1C ZINC001267462210 897975382 /nfs/dbraw/zinc/97/53/82/897975382.db2.gz FUUHPXBXASUSNH-UHFFFAOYSA-N 0 3 288.391 1.615 10 30 CDEEHN CC#CCNCCN(C)C(=O)c1ccccc1OCC ZINC001267463222 897996851 /nfs/dbraw/zinc/99/68/51/897996851.db2.gz RQGMMBOCKNYBRY-UHFFFAOYSA-N 0 3 274.364 1.770 10 30 CDEEHN CC#CCNCCN(C)C(=O)CN(CC)c1ccccc1 ZINC001267473941 898095589 /nfs/dbraw/zinc/09/55/89/898095589.db2.gz PKWHGTXJYLMTHT-UHFFFAOYSA-N 0 3 287.407 1.584 10 30 CDEEHN CC#CCNCCN(C)C(=O)c1cc2n(c1)CCCC2 ZINC001567618250 1168890097 /nfs/dbraw/zinc/89/00/97/1168890097.db2.gz QAWKSIVZPCFCGP-UHFFFAOYSA-N 0 3 273.380 1.509 10 30 CDEEHN C=CCCC(=O)NC[C@H]1CCCN1CCOCC ZINC001481030699 898570088 /nfs/dbraw/zinc/57/00/88/898570088.db2.gz LNPUZORYUFBZFM-CYBMUJFWSA-N 0 3 254.374 1.570 10 30 CDEEHN CC#CCN1CC[C@@H](CNC(=O)C[C@H]2C=CCC2)C1 ZINC001481080039 898750949 /nfs/dbraw/zinc/75/09/49/898750949.db2.gz ZUQIALBPGAZGGQ-GJZGRUSLSA-N 0 3 260.381 1.804 10 30 CDEEHN C=C(C)CN(CCNC(=O)c1cnc(Cl)n1C)C1CC1 ZINC001481178014 899056949 /nfs/dbraw/zinc/05/69/49/899056949.db2.gz OVADVELAYZLPQI-UHFFFAOYSA-N 0 3 296.802 1.844 10 30 CDEEHN C=CCCOCC(=O)N[C@H]1CCCN(CC[C@H](C)F)C1 ZINC001267634860 899108615 /nfs/dbraw/zinc/10/86/15/899108615.db2.gz SNKMOSOFOOQTDT-KBPBESRZSA-N 0 3 286.391 1.908 10 30 CDEEHN C=CCOCC(=O)N(C)CCNCc1ccc(C#N)cc1 ZINC001481213631 899366275 /nfs/dbraw/zinc/36/62/75/899366275.db2.gz JSBXBVBBCLQKBS-UHFFFAOYSA-N 0 3 287.363 1.309 10 30 CDEEHN C#CCNCCN(C)C(=O)c1cc(C2CC2)nn1CC ZINC001481244742 899616310 /nfs/dbraw/zinc/61/63/10/899616310.db2.gz WMGYYDZSNRAGKF-UHFFFAOYSA-N 0 3 274.368 1.075 10 30 CDEEHN C=CCCC(=O)N(CCC)[C@@H]1CCN(CCOC)C1 ZINC001567680601 1168913865 /nfs/dbraw/zinc/91/38/65/1168913865.db2.gz FYCPJDXGILMXKZ-CQSZACIVSA-N 0 3 268.401 1.912 10 30 CDEEHN C#CCNCCN(C)C(=O)[C@H]1CCC[C@@H]1CCC ZINC001481248818 899651617 /nfs/dbraw/zinc/65/16/17/899651617.db2.gz UXPIMJIFWNKNPS-KBPBESRZSA-N 0 3 250.386 1.884 10 30 CDEEHN CN(CCNCc1cccc(C#N)c1)C(=O)c1cncn1C ZINC001481252979 899670413 /nfs/dbraw/zinc/67/04/13/899670413.db2.gz QPDQZLNFWISNJP-UHFFFAOYSA-N 0 3 297.362 1.154 10 30 CDEEHN C#CCCN1CC[C@@H](N(C)C(=O)C[C@H](C)C2CC2)C1 ZINC001267779831 899708913 /nfs/dbraw/zinc/70/89/13/899708913.db2.gz WNNMYHZUJBOSJG-DZGCQCFKSA-N 0 3 262.397 1.979 10 30 CDEEHN C=CCCC(=O)NC[C@@H](CC)N[C@@H](C)c1n[nH]c(C)n1 ZINC001267797391 899750624 /nfs/dbraw/zinc/75/06/24/899750624.db2.gz HPRXKYBAWNSZSD-CMPLNLGQSA-N 0 3 279.388 1.625 10 30 CDEEHN C=CCNC(=O)CN1CC[C@@H](CCNC(=O)CC(C)C)C1 ZINC001567691557 1168917065 /nfs/dbraw/zinc/91/70/65/1168917065.db2.gz SZIBPHQAYSYYMB-CQSZACIVSA-N 0 3 295.427 1.163 10 30 CDEEHN C#CCNCCN(C)C(=O)c1ccncc1Cl ZINC001481283225 900040818 /nfs/dbraw/zinc/04/08/18/900040818.db2.gz DTLWLQORIGAXCZ-UHFFFAOYSA-N 0 3 251.717 1.030 10 30 CDEEHN CC#CCNCCN(C)C(=O)c1c(C)nn(CC)c1C ZINC001481292476 900199444 /nfs/dbraw/zinc/19/94/44/900199444.db2.gz LVTISKJNEKMYAG-UHFFFAOYSA-N 0 3 276.384 1.205 10 30 CDEEHN C#CCN1CC[C@H](N(CCC)C(=O)[C@H]2CCCN2C)C1 ZINC001481404515 900567866 /nfs/dbraw/zinc/56/78/66/900567866.db2.gz NQQXVLFROYIRRY-LSDHHAIUSA-N 0 3 277.412 1.027 10 30 CDEEHN COCC#CCN1CC[C@@H](CCNC(=O)[C@H]2CC2(C)C)C1 ZINC001481426331 900631688 /nfs/dbraw/zinc/63/16/88/900631688.db2.gz KKSICLWHEHQKQW-HUUCEWRRSA-N 0 3 292.423 1.511 10 30 CDEEHN COCC#CCNC[C@H](C)N(C)C(=O)c1ccsc1C ZINC001268059105 901047608 /nfs/dbraw/zinc/04/76/08/901047608.db2.gz FJVYJMWXTCAFDZ-LBPRGKRZSA-N 0 3 294.420 1.756 10 30 CDEEHN C=CCOCCN1CCC[C@@H](NC(=O)C[C@H](C)OC)C1 ZINC001481524365 901061480 /nfs/dbraw/zinc/06/14/80/901061480.db2.gz MKBWAVPTZWUESM-UONOGXRCSA-N 0 3 284.400 1.195 10 30 CDEEHN CCn1cccc1C(=O)N(C)[C@H](C)CNCC#CCOC ZINC001268101493 901288255 /nfs/dbraw/zinc/28/82/55/901288255.db2.gz XZBMFMZENINLDL-CQSZACIVSA-N 0 3 291.395 1.208 10 30 CDEEHN C=CCNC(=O)CN[C@@H](CNC(=O)[C@H]1CC1(C)C)C(C)C ZINC001268207580 901566763 /nfs/dbraw/zinc/56/67/63/901566763.db2.gz DUIHNIYGFFCDFG-OLZOCXBDSA-N 0 3 295.427 1.065 10 30 CDEEHN C#CCCN(C)CCN(C)C(=O)Cc1cncs1 ZINC001268241175 901650429 /nfs/dbraw/zinc/65/04/29/901650429.db2.gz KMJFLQRTJLPWGR-UHFFFAOYSA-N 0 3 265.382 1.099 10 30 CDEEHN C#CCCN(C)CCN(C)C(=O)c1cnoc1C1CC1 ZINC001268254344 901676237 /nfs/dbraw/zinc/67/62/37/901676237.db2.gz OUYHTXFWYZONDP-UHFFFAOYSA-N 0 3 275.352 1.579 10 30 CDEEHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OCC ZINC001481664087 901755094 /nfs/dbraw/zinc/75/50/94/901755094.db2.gz GVQMAEITSUWSLU-RDBSUJKOSA-N 0 3 266.385 1.663 10 30 CDEEHN CC#CCCCC(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CCOC1 ZINC001481677419 901778273 /nfs/dbraw/zinc/77/82/73/901778273.db2.gz GUPKNQHHIIYJFB-JYJNAYRXSA-N 0 3 290.407 1.502 10 30 CDEEHN C=CCOCCN1CC[C@H](NC(=O)[C@H]2CCCC23CC3)C1 ZINC001481690144 901800768 /nfs/dbraw/zinc/80/07/68/901800768.db2.gz MCNSXPOXZXJMCH-LSDHHAIUSA-N 0 3 292.423 1.960 10 30 CDEEHN C#CCCN1CC[C@@H](NC(=O)C[C@@H](C)n2ccnc2)C1 ZINC001481706835 901867111 /nfs/dbraw/zinc/86/71/11/901867111.db2.gz XOOZGEBVPHAWMI-ZIAGYGMSSA-N 0 3 274.368 1.048 10 30 CDEEHN C=C[C@](C)(O)CC(=O)N[C@H](C)CCNCc1ocnc1C ZINC001268359158 901937325 /nfs/dbraw/zinc/93/73/25/901937325.db2.gz PCAXVJHCZREGGT-ABAIWWIYSA-N 0 3 295.383 1.295 10 30 CDEEHN C=CCCC(=O)NC[C@@H](CC)N[C@H]1CCN(C(C)C)C1=O ZINC001481794316 902136427 /nfs/dbraw/zinc/13/64/27/902136427.db2.gz IDGRXCNQCMEGFQ-KGLIPLIRSA-N 0 3 295.427 1.446 10 30 CDEEHN C=C[C@@](C)(O)CC(=O)NC[C@H](CC)NCc1cccnc1 ZINC001481807429 902159220 /nfs/dbraw/zinc/15/92/20/902159220.db2.gz GERZPZQTDLIQQY-GOEBONIOSA-N 0 3 291.395 1.393 10 30 CDEEHN C#CCNC/C=C\CNC(=O)c1cn(C)nc1C1CCC1 ZINC001268560711 902567599 /nfs/dbraw/zinc/56/75/99/902567599.db2.gz LVDBKWGZPJTWFV-PLNGDYQASA-N 0 3 286.379 1.196 10 30 CDEEHN COc1cc(CNC[C@@H](C)CNC(=O)C#CC(C)C)on1 ZINC001482097682 902645607 /nfs/dbraw/zinc/64/56/07/902645607.db2.gz BWJNEKLSBKQBAX-GFCCVEGCSA-N 0 3 293.367 1.185 10 30 CDEEHN CC#CCNC/C=C\CNC(=O)Cc1ccc(OC)cc1 ZINC001268622805 902832591 /nfs/dbraw/zinc/83/25/91/902832591.db2.gz YYUZXSDXVQAJOO-WAYWQWQTSA-N 0 3 286.375 1.523 10 30 CDEEHN C=C(Cl)CNCCCN(C)C(=O)c1cnc(OC)nc1 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C=CCN(C)[C@@H](C)CNC(=O)[C@H](NC(C)=O)C1CCCC1 ZINC001275874399 932106004 /nfs/dbraw/zinc/10/60/04/932106004.db2.gz SDBUEKZWDYFBJO-SWLSCSKDSA-N 0 3 295.427 1.304 10 30 CDEEHN C=C(Cl)CNCCCN(C)C(=O)[C@@H]1CCCOC1 ZINC001275907809 932122164 /nfs/dbraw/zinc/12/21/64/932122164.db2.gz JXTNWBYYJFJVFJ-GFCCVEGCSA-N 0 3 274.792 1.604 10 30 CDEEHN C=CCN(C)[C@H](C)CNC(=O)C[C@@H](C)n1cccn1 ZINC001275971028 932182727 /nfs/dbraw/zinc/18/27/27/932182727.db2.gz WMMWZRPEFXRRSB-CHWSQXEVSA-N 0 3 264.373 1.457 10 30 CDEEHN CC(=O)N[C@H]1C[C@H](NCC#Cc2ccc(F)cc2)C1 ZINC001490860680 934604924 /nfs/dbraw/zinc/60/49/24/934604924.db2.gz KLRZUTBEJMXHNH-SHTZXODSSA-N 0 3 260.312 1.434 10 30 CDEEHN C[C@H](C#N)C(=O)N[C@@H](C)CCNCc1cc(C2CC2)no1 ZINC001568613613 1169397528 /nfs/dbraw/zinc/39/75/28/1169397528.db2.gz YEZXUQIUPNCBFE-MNOVXSKESA-N 0 3 290.367 1.696 10 30 CDEEHN C=CC(C)(C)CC(=O)N[C@H](C)CCNCc1cnnn1C ZINC001568634850 1169409478 /nfs/dbraw/zinc/40/94/78/1169409478.db2.gz KPBBMBRLHQFZCB-GFCCVEGCSA-N 0 3 293.415 1.402 10 30 CDEEHN C=CCn1c([C@@H]2CCCN(C)C2)nnc1N(C)C1CC1 ZINC001121566828 937876668 /nfs/dbraw/zinc/87/66/68/937876668.db2.gz ISYADYBYWYIPRW-GFCCVEGCSA-N 0 3 275.400 1.872 10 30 CDEEHN C=CCCC[C@H](N)C(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC001122327108 937921978 /nfs/dbraw/zinc/92/19/78/937921978.db2.gz DRELRPRUSLSBGM-AGIUHOORSA-N 0 3 252.358 1.211 10 30 CDEEHN C#CCCN1CC([C@@H](C)NC(=O)[C@@](C)(C=C)CCOC)C1 ZINC001276406060 938706911 /nfs/dbraw/zinc/70/69/11/938706911.db2.gz NSLHFAFROCDJFY-PBHICJAKSA-N 0 3 292.423 1.675 10 30 CDEEHN C#CCCN1C[C@@H](NC(=O)CSCCC)C(C)(C)C1 ZINC001276561367 940309643 /nfs/dbraw/zinc/30/96/43/940309643.db2.gz LIXHMHDLKYLVSW-CYBMUJFWSA-N 0 3 282.453 1.980 10 30 CDEEHN CC(C)C#CC(=O)N[C@@H]1CN(CCC[C@H](C)O)CC1(C)C ZINC001276578259 940369633 /nfs/dbraw/zinc/36/96/33/940369633.db2.gz FSVAHKPQOFHRAR-LSDHHAIUSA-N 0 3 294.439 1.633 10 30 CDEEHN C=CCN1C[C@@H](NC(=O)CC2(OC)CCC2)C(C)(C)C1 ZINC001276579091 940370813 /nfs/dbraw/zinc/37/08/13/940370813.db2.gz JZWWZMUSHRQMCN-CYBMUJFWSA-N 0 3 280.412 1.958 10 30 CDEEHN CCOC(=O)[C@@H](C)[C@H](C)NCc1cc(C#N)ccn1 ZINC001473358274 970781749 /nfs/dbraw/zinc/78/17/49/970781749.db2.gz SVFUZPJGFQTOIQ-QWRGUYRKSA-N 0 3 261.325 1.631 10 30 CDEEHN C#CCNCCN(CC)C(=O)c1ccc(F)c(F)c1 ZINC001568746756 1169460057 /nfs/dbraw/zinc/46/00/57/1169460057.db2.gz AXHHKOXRWBQPAW-UHFFFAOYSA-N 0 3 266.291 1.650 10 30 CDEEHN C=CCCCCCN1CC[C@@H]1CNC(=O)[C@H]1COC(=O)N1 ZINC001276843234 941637116 /nfs/dbraw/zinc/63/71/16/941637116.db2.gz WBBDSDNZIKRGEZ-CHWSQXEVSA-N 0 3 295.383 1.032 10 30 CDEEHN C#CCOCCC(=O)NC[C@@H]1CCN1CCC(=C)C ZINC001276854467 941646393 /nfs/dbraw/zinc/64/63/93/941646393.db2.gz XBDDFKZNKNXMLH-AWEZNQCLSA-N 0 3 264.369 1.183 10 30 CDEEHN C=C(C)C(C)(C)C(=O)N(CC)CCN[C@@H](C)C(=O)NC ZINC001568765275 1169467388 /nfs/dbraw/zinc/46/73/88/1169467388.db2.gz LAIUDLMHPNJIOD-LBPRGKRZSA-N 0 3 283.416 1.161 10 30 CDEEHN CC#CCNC1(CNC(=O)[C@@H]2CCCOCC2)CC1 ZINC001277050661 941870997 /nfs/dbraw/zinc/87/09/97/941870997.db2.gz 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JVDKHEQVNAKZHR-UHFFFAOYSA-N 0 3 296.370 1.574 10 30 CDEEHN C#CCNC[C@H]1CN(C(=O)C2(C)CCCCCC2)CCO1 ZINC001280596000 942465841 /nfs/dbraw/zinc/46/58/41/942465841.db2.gz QBHBHOWSBBHFAR-HNNXBMFYSA-N 0 3 292.423 1.797 10 30 CDEEHN C#CCN1CC[C@]2(C1)CCCN(C(=O)CCCOC)C2 ZINC001281072845 942532305 /nfs/dbraw/zinc/53/23/05/942532305.db2.gz RGLXZEUJZGFOLX-INIZCTEOSA-N 0 3 278.396 1.361 10 30 CDEEHN CC#CCN1CC[C@H](NC(=O)C[C@@H](C)COC)C(C)(C)C1 ZINC001281570573 942595393 /nfs/dbraw/zinc/59/53/93/942595393.db2.gz CHQIDBKBOXMSGY-CABCVRRESA-N 0 3 294.439 1.899 10 30 CDEEHN C=C[C@@H](CC)CC(=O)N1CCC[C@@H]1CN(C)CCO ZINC001281950996 942635657 /nfs/dbraw/zinc/63/56/57/942635657.db2.gz CNJFCSADOWLNBF-UONOGXRCSA-N 0 3 268.401 1.504 10 30 CDEEHN C=CCN(C)C[C@H]1CCCN1C(=O)CCCn1ccnc1 ZINC001281968994 942638675 /nfs/dbraw/zinc/63/86/75/942638675.db2.gz RRVSTEFXRRJURF-OAHLLOKOSA-N 0 3 290.411 1.772 10 30 CDEEHN C=CCC(C)(C)C(=O)N[C@H](C)[C@@H](C)NCC(=O)NC1CC1 ZINC001282193667 942676142 /nfs/dbraw/zinc/67/61/42/942676142.db2.gz SBNZWFSKDKRAIZ-VXGBXAGGSA-N 0 3 295.427 1.350 10 30 CDEEHN C#CCN(C)[C@@H](C)CNC(=O)c1cnc2ccccc2c1O ZINC001282423729 942710212 /nfs/dbraw/zinc/71/02/12/942710212.db2.gz KSEIRGJWKKBUGZ-LBPRGKRZSA-N 0 3 297.358 1.211 10 30 CDEEHN CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCCN1C)NCC#N ZINC001282549191 942729073 /nfs/dbraw/zinc/72/90/73/942729073.db2.gz HDKRZRHXNXYKSW-KGLIPLIRSA-N 0 3 280.416 1.067 10 30 CDEEHN C=CCOCCN1C[C@H](NC(=O)C[C@@H](C)OC)C(C)(C)C1 ZINC001282789780 942752779 /nfs/dbraw/zinc/75/27/79/942752779.db2.gz CFPSFKIEHMIHQY-KGLIPLIRSA-N 0 3 298.427 1.441 10 30 CDEEHN C#CCN1CCC2(CCN(C(=O)[C@H](CC)OCC)C2)CC1 ZINC001277482239 942768460 /nfs/dbraw/zinc/76/84/60/942768460.db2.gz CDUYYKPGHZEJIC-HNNXBMFYSA-N 0 3 292.423 1.749 10 30 CDEEHN C=CCCCC(=O)N[C@@H]1CCN(C(=O)[C@H]2CCCN2C)C1 ZINC001283354166 942883291 /nfs/dbraw/zinc/88/32/91/942883291.db2.gz NGKIOPCZKFEQGV-ZIAGYGMSSA-N 0 3 293.411 1.154 10 30 CDEEHN CC#CCCCC(=O)NC[C@@H](CO)NCc1ccccc1 ZINC001283793043 942993416 /nfs/dbraw/zinc/99/34/16/942993416.db2.gz RPROXZXWWWXDED-INIZCTEOSA-N 0 3 288.391 1.447 10 30 CDEEHN CC#CCN[C@H]1C[C@H](C)N(C(=O)c2cc(CC)ccn2)C1 ZINC001283981756 943038857 /nfs/dbraw/zinc/03/88/57/943038857.db2.gz HSMKKEBVFGYYEH-ZFWWWQNUSA-N 0 3 285.391 1.860 10 30 CDEEHN C=CCCC(=O)N(C)[C@H](CNCC(=O)N1CCC1)C1CC1 ZINC001277621740 943155647 /nfs/dbraw/zinc/15/56/47/943155647.db2.gz GFEBCFCQNIYZIC-CQSZACIVSA-N 0 3 293.411 1.012 10 30 CDEEHN C#CCCN(C)CCN(C(=O)[C@H]1CCCOCC1)C(C)C ZINC001284529449 943200480 /nfs/dbraw/zinc/20/04/80/943200480.db2.gz DAIHDMJDNIAMMX-INIZCTEOSA-N 0 3 294.439 1.995 10 30 CDEEHN C=C(C)C[C@@H](C)C(=O)N(C)CCNC(=O)CN(C)C(C)C ZINC001284536359 943204556 /nfs/dbraw/zinc/20/45/56/943204556.db2.gz GFVBQGXFQHCFAM-CQSZACIVSA-N 0 3 297.443 1.504 10 30 CDEEHN C=C[C@](C)(O)CC(=O)N[C@H](CNCCF)C(C)(C)C ZINC001284586773 943217993 /nfs/dbraw/zinc/21/79/93/943217993.db2.gz RBACLZNCDFPEIM-RISCZKNCSA-N 0 3 274.380 1.404 10 30 CDEEHN C=CCN(C)CCN(C(=O)[C@H](OC)[C@@H]1CCOC1)C(C)C ZINC001284543464 943206018 /nfs/dbraw/zinc/20/60/18/943206018.db2.gz HVNRAHWBFGSTDW-HUUCEWRRSA-N 0 3 298.427 1.393 10 30 CDEEHN C=CCN1CC=C(CNC(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001284957879 943301539 /nfs/dbraw/zinc/30/15/39/943301539.db2.gz WOAVPSATKNESBG-CQSZACIVSA-N 0 3 288.395 1.769 10 30 CDEEHN CC#CCN[C@H](C)CN(C)C(=O)[C@@H](C)CSC ZINC001277772251 943503584 /nfs/dbraw/zinc/50/35/84/943503584.db2.gz VCFDVYRBAJWXON-NWDGAFQWSA-N 0 3 256.415 1.445 10 30 CDEEHN C=CCCCN1CC[C@@H]1CN(C)C(=O)C1CCOCC1 ZINC001263795566 943975435 /nfs/dbraw/zinc/97/54/35/943975435.db2.gz AHODNTYAYMLMDE-OAHLLOKOSA-N 0 3 280.412 1.912 10 30 CDEEHN C=CCN1CC[C@H](NC(=O)CCCOC(C)C)[C@H]1C ZINC001264178262 944093614 /nfs/dbraw/zinc/09/36/14/944093614.db2.gz XXCHOMLEUAVDHJ-KGLIPLIRSA-N 0 3 268.401 1.957 10 30 CDEEHN C=CCCN1CC[C@@H]1CN(C)C(=O)Cc1nonc1C ZINC001264377250 944118634 /nfs/dbraw/zinc/11/86/34/944118634.db2.gz YGINHSFMTIFOJF-GFCCVEGCSA-N 0 3 278.356 1.029 10 30 CDEEHN CC#CCN[C@@H](C)CN(C)C(=O)c1ncn(C(C)(C)C)n1 ZINC001277938664 944130886 /nfs/dbraw/zinc/13/08/86/944130886.db2.gz WBVHKXIQZMCIMC-LBPRGKRZSA-N 0 3 291.399 1.107 10 30 CDEEHN CCCN(C)CC(=O)N1CCC[C@H](C)[C@@H]1CCNCC#N ZINC001264520773 944144775 /nfs/dbraw/zinc/14/47/75/944144775.db2.gz PHPZYRLMVYEHAW-GJZGRUSLSA-N 0 3 294.443 1.459 10 30 CDEEHN CCCN(C)CC(=O)N1CCC[C@@H](C)[C@@H]1CCNCC#N ZINC001264520772 944145170 /nfs/dbraw/zinc/14/51/70/944145170.db2.gz PHPZYRLMVYEHAW-CABCVRRESA-N 0 3 294.443 1.459 10 30 CDEEHN C#CCN(C)CCOCCN(C)C(=O)C1(CC)CCCC1 ZINC001264668023 944159966 /nfs/dbraw/zinc/15/99/66/944159966.db2.gz WZQIWEWPGUOLFC-UHFFFAOYSA-N 0 3 294.439 1.997 10 30 CDEEHN C=CCCN1CCN(CCNC(=O)C2CCCCC2)CC1 ZINC001265255856 944293882 /nfs/dbraw/zinc/29/38/82/944293882.db2.gz CZOPFOFXROSKPZ-UHFFFAOYSA-N 0 3 293.455 1.877 10 30 CDEEHN CC#CCCCC(=O)N[C@@H]1CCN(C[C@H]2CCCCO2)C1 ZINC001265299296 944330429 /nfs/dbraw/zinc/33/04/29/944330429.db2.gz MJPFDRONISBFCE-HZPDHXFCSA-N 0 3 292.423 1.940 10 30 CDEEHN C#CCN1CCC2(C[C@@H]2NC(=O)C(C)(C)C=C)CC1 ZINC001265330104 944347820 /nfs/dbraw/zinc/34/78/20/944347820.db2.gz TUSGLUUHDWXQPX-ZDUSSCGKSA-N 0 3 260.381 1.803 10 30 CDEEHN C=CCN1C[C@H]2CC[C@@H](C1)N2C(=O)CN(C)C(C)C ZINC001265416427 944377582 /nfs/dbraw/zinc/37/75/82/944377582.db2.gz ZYZOKXPJEWGQOG-OKILXGFUSA-N 0 3 265.401 1.188 10 30 CDEEHN C=CCCC(=O)N1CC[C@H](NCC(=O)NC2CCCC2)C1 ZINC001265422773 944381843 /nfs/dbraw/zinc/38/18/43/944381843.db2.gz ZOUIPMHLQFCEON-AWEZNQCLSA-N 0 3 293.411 1.202 10 30 CDEEHN CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC#N)N(C)C ZINC001265516145 944413647 /nfs/dbraw/zinc/41/36/47/944413647.db2.gz WHFDQFAWFNRMQG-DKUMPPAJSA-N 0 3 292.427 1.208 10 30 CDEEHN C#CCCCC(=O)N1CC[C@@H](NCc2cncc(C)c2)C1 ZINC001265563028 944429909 /nfs/dbraw/zinc/42/99/09/944429909.db2.gz CIEDUPQDKWIKKG-MRXNPFEDSA-N 0 3 285.391 1.884 10 30 CDEEHN C#CCN1CCC[C@H](CNC(=O)C[C@@H]2CCCO2)C1 ZINC001265576225 944434332 /nfs/dbraw/zinc/43/43/32/944434332.db2.gz RTFHYEYJJMSCCY-KGLIPLIRSA-N 0 3 264.369 1.017 10 30 CDEEHN C=C(C)CN1CCCC[C@@H]1CNC(=O)Cn1cncc1C ZINC001265648744 944457125 /nfs/dbraw/zinc/45/71/25/944457125.db2.gz FNLQTVSBAOZUCW-OAHLLOKOSA-N 0 3 290.411 1.738 10 30 CDEEHN C=CC(C)(C)CC(=O)NC[C@@H](C)NCC(=O)N(C)C1CC1 ZINC001265778956 944505545 /nfs/dbraw/zinc/50/55/45/944505545.db2.gz CAFMIZRJZOSFPD-GFCCVEGCSA-N 0 3 295.427 1.304 10 30 CDEEHN COCC#CCN[C@H](C)CNC(=O)[C@@H](C)c1ccsc1 ZINC001265824392 944526345 /nfs/dbraw/zinc/52/63/45/944526345.db2.gz VQXTXBZBZWMOOB-OLZOCXBDSA-N 0 3 294.420 1.596 10 30 CDEEHN CC#CCN[C@H](C)CNC(=O)CCCc1ccccn1 ZINC001265853952 944542187 /nfs/dbraw/zinc/54/21/87/944542187.db2.gz VIGHBWXXLNGMAV-CQSZACIVSA-N 0 3 273.380 1.522 10 30 CDEEHN CC#CCN(C)CCCNC(=O)[C@@H]1CCOC[C@@H]1C ZINC001265919731 944572275 /nfs/dbraw/zinc/57/22/75/944572275.db2.gz UKYKGIYRTHDINA-UONOGXRCSA-N 0 3 266.385 1.120 10 30 CDEEHN CC#CCN[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2CC)C1 ZINC001265921564 944573701 /nfs/dbraw/zinc/57/37/01/944573701.db2.gz RUAWWSTXJGLHHN-MJBXVCDLSA-N 0 3 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290.363 1.887 10 30 CDEEHN COc1cc(CN(C)C[C@@H](O)CC2(C#N)CC2)ccc1O ZINC000599285278 344007420 /nfs/dbraw/zinc/00/74/20/344007420.db2.gz OHWRDYQDYUJTRG-ZDUSSCGKSA-N 0 3 290.363 1.887 10 30 CDEEHN CC(C)(C)OC(=O)N1CC(Cn2cc(C#CCN)cn2)C1 ZINC000585142852 342220220 /nfs/dbraw/zinc/22/02/20/342220220.db2.gz FGEVANMOGCPMFR-UHFFFAOYSA-N 0 3 290.367 1.060 10 30 CDEEHN N#CCCCC[C@@H](N)c1nc(C2(N)CCCC2)no1 ZINC000593942246 342859489 /nfs/dbraw/zinc/85/94/89/342859489.db2.gz DKQHGGIQGCGATJ-SNVBAGLBSA-N 0 3 263.345 1.881 10 30 CDEEHN N#CCCCCC(=O)NC[C@@H]1CCCCN1CCO ZINC000594366244 342896384 /nfs/dbraw/zinc/89/63/84/342896384.db2.gz CZDBRKHYGPBSLD-ZDUSSCGKSA-N 0 3 267.373 1.033 10 30 CDEEHN CCO[C@@H]1C[C@@H](NC(=O)[C@H](N)CCCCC#N)C12CCC2 ZINC000594432984 342898312 /nfs/dbraw/zinc/89/83/12/342898312.db2.gz IJNQAVLGZGNELG-MGPQQGTHSA-N 0 3 293.411 1.862 10 30 CDEEHN C[C@H](C[C@@H]1CCOC1)NC(=O)[C@H](N)CCCCC#N ZINC000594432474 342898399 /nfs/dbraw/zinc/89/83/99/342898399.db2.gz AWNOXEWVELNWLY-FRRDWIJNSA-N 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265.357 1.037 10 30 CDEEHN CSCC[C@H](N)C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594452501 342910421 /nfs/dbraw/zinc/91/04/21/342910421.db2.gz NEUIRMDBZWHJHQ-ZDUSSCGKSA-N 0 3 275.377 1.481 10 30 CDEEHN N#CC1(C[C@H](O)CN[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000600720661 342244778 /nfs/dbraw/zinc/24/47/78/342244778.db2.gz IZHULSWHZMYENS-HIFRSBDPSA-N 0 3 299.374 1.436 10 30 CDEEHN CSc1cc(CNC[C@H](O)CC2(C#N)CC2)ccn1 ZINC000600733277 342245956 /nfs/dbraw/zinc/24/59/56/342245956.db2.gz YGFMGUKKSRCKKA-GFCCVEGCSA-N 0 3 277.393 1.948 10 30 CDEEHN COC(=O)[C@@H]1CCN(C(=O)C(C)C#N)[C@@H]2CCC[C@H]21 ZINC000600550504 342231077 /nfs/dbraw/zinc/23/10/77/342231077.db2.gz KDKMUFQCNOJVEE-WRWGMCAJSA-N 0 3 264.325 1.336 10 30 CDEEHN N#CCCCC[C@H](N)C(=O)N(Cc1ccccn1)C1CC1 ZINC000594437003 342903924 /nfs/dbraw/zinc/90/39/24/342903924.db2.gz RXMOKLHWQPFFEN-HNNXBMFYSA-N 0 3 286.379 1.984 10 30 CDEEHN N#CCCCC[C@@H](N)C(=O)Nc1nc2c(s1)CCC2 ZINC000594425736 342904234 /nfs/dbraw/zinc/90/42/34/342904234.db2.gz 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CCN(C[C@H](C)C#N)C(=O)CCN(C)c1ccncc1 ZINC000540928985 368573141 /nfs/dbraw/zinc/57/31/41/368573141.db2.gz JLMCDLDWUUDLJA-CYBMUJFWSA-N 0 3 274.368 1.916 10 30 CDEEHN C=CCN(CC=C)C(=O)[C@H](C)N(C)CCCCO ZINC000276455771 193338514 /nfs/dbraw/zinc/33/85/14/193338514.db2.gz WTAVDKNORIMDHP-ZDUSSCGKSA-N 0 3 254.374 1.280 10 30 CDEEHN C=CC[C@H](CO)NC(=O)NCC(C)(C)N1CCCCC1 ZINC000182832529 372628789 /nfs/dbraw/zinc/62/87/89/372628789.db2.gz KJFRDYYMJMRBNC-CYBMUJFWSA-N 0 3 283.416 1.487 10 30 CDEEHN CC1(C)OCC[C@H]1N[C@@H]1CCN(c2ccc(C#N)cc2)C1=O ZINC000298072419 373832133 /nfs/dbraw/zinc/83/21/33/373832133.db2.gz HBRVYASMSGWUCK-HUUCEWRRSA-N 0 3 299.374 1.821 10 30 CDEEHN N#Cc1ccc(C(=O)N2CC[C@H](N3CCCCC3)C2)cn1 ZINC000360208400 374005327 /nfs/dbraw/zinc/00/53/27/374005327.db2.gz LKZNNYVZWUFKHN-HNNXBMFYSA-N 0 3 284.363 1.654 10 30 CDEEHN CC(C)N1CCCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000359948683 373993574 /nfs/dbraw/zinc/99/35/74/373993574.db2.gz HFKVBTQNBZFGMP-UHFFFAOYSA-N 0 3 272.352 1.510 10 30 CDEEHN C[C@@H](O)C[C@H](C)NCc1cnc2ccc(C#N)cn12 ZINC000361031603 374031947 /nfs/dbraw/zinc/03/19/47/374031947.db2.gz WVJCFUCETJRMFK-WDEREUQCSA-N 0 3 258.325 1.455 10 30 CDEEHN C[C@@H]1CCCN(CCNC(=O)Cc2cccc(C#N)c2)C1 ZINC000531384770 374500085 /nfs/dbraw/zinc/50/00/85/374500085.db2.gz RTVXSQAUCNQAHZ-CQSZACIVSA-N 0 3 285.391 1.949 10 30 CDEEHN C[C@H]1OCC[C@H]1N(CCO)Cc1ccc(F)c(C#N)c1 ZINC000331131764 374892439 /nfs/dbraw/zinc/89/24/39/374892439.db2.gz BRCPISDYCHAAES-IAQYHMDHSA-N 0 3 278.327 1.669 10 30 CDEEHN C[C@H]1CCCCN1CCNC(=O)c1cc(C#N)ccn1 ZINC000283733183 375121797 /nfs/dbraw/zinc/12/17/97/375121797.db2.gz MAKMZUDFTDOBIF-LBPRGKRZSA-N 0 3 272.352 1.557 10 30 CDEEHN C#CCNC(=O)[C@@H](C)N[C@@H](C)CNC(=O)CC(C)(C)CC ZINC001662229216 1172511709 /nfs/dbraw/zinc/51/17/09/1172511709.db2.gz BGOVVIUQAKNYPN-QWHCGFSZSA-N 0 3 295.427 1.045 10 30 CDEEHN C=CCN1CCC(NC(=O)c2cc(C#N)ccn2)CC1 ZINC000287642961 378289898 /nfs/dbraw/zinc/28/98/98/378289898.db2.gz PYJRGHNFFCXMJS-UHFFFAOYSA-N 0 3 270.336 1.333 10 30 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896575688 /nfs/dbraw/zinc/57/56/88/896575688.db2.gz AJGCJGMCQUMDGA-HNNXBMFYSA-N 0 3 292.423 1.797 10 30 CDEEHN C=CCN(C)CCNC(=O)Cc1cc(F)ccc1F ZINC001267213116 897170883 /nfs/dbraw/zinc/17/08/83/897170883.db2.gz ALGUUHWFXUQMMT-UHFFFAOYSA-N 0 3 268.307 1.741 10 30 CDEEHN C=CCN(C)CCNC(=O)[C@H]1CC(=O)N([C@@H](C)CCC)C1 ZINC001267233208 897248616 /nfs/dbraw/zinc/24/86/16/897248616.db2.gz RZXQFVYFSGCUHT-KBPBESRZSA-N 0 3 295.427 1.258 10 30 CDEEHN C=CCOCCN1CCC[C@H]1CNC(=O)Cc1cnoc1 ZINC001267273478 897436754 /nfs/dbraw/zinc/43/67/54/897436754.db2.gz FHTHFTFMMMPDPT-AWEZNQCLSA-N 0 3 293.367 1.000 10 30 CDEEHN C#CCN1CC[C@H](CNC(=O)CCc2ccc(F)cc2)C1 ZINC001267298011 897505366 /nfs/dbraw/zinc/50/53/66/897505366.db2.gz MAZIFTYHGGTKQW-OAHLLOKOSA-N 0 3 288.366 1.830 10 30 CDEEHN C=CC[C@@H](C(=O)NCCN(C)C[C@@H](C)O)c1ccccc1 ZINC001480949121 898076309 /nfs/dbraw/zinc/07/63/09/898076309.db2.gz GLSBGSXKGALXAE-GDBMZVCRSA-N 0 3 290.407 1.775 10 30 CDEEHN C=C[C@@](C)(O)CC(=O)N(C)C[C@H](C)NCc1cncs1 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CDEEHN C=CCN[C@H](CO)CNC(=O)c1ccc(C)nc1C(C)C ZINC001331758900 957247099 /nfs/dbraw/zinc/24/70/99/957247099.db2.gz QXCOVTXNGNMNBY-ZDUSSCGKSA-N 0 3 291.395 1.380 10 30 CDEEHN C=C[C@](C)(O)CC(=O)N[C@H]1C[C@@H](NCc2cnoc2C)C1 ZINC001317111246 957277678 /nfs/dbraw/zinc/27/76/78/957277678.db2.gz WZAJSQBTWBCWOD-GUTXKFCHSA-N 0 3 293.367 1.047 10 30 CDEEHN C=CCN[C@@H](CO)CNC(=O)[C@H](C)c1cccc(F)c1 ZINC001331837474 957289598 /nfs/dbraw/zinc/28/95/98/957289598.db2.gz XAPVHYDBTFUONS-BXUZGUMPSA-N 0 3 280.343 1.182 10 30 CDEEHN CC#CCN1CCC[C@@H](CNC(=O)[C@H](C)CCCOC)C1 ZINC001317142370 957301172 /nfs/dbraw/zinc/30/11/72/957301172.db2.gz BKBPDDDBMYMLLD-CVEARBPZSA-N 0 3 294.439 1.901 10 30 CDEEHN C#CCN1CCC[C@H]([C@@H](C)NC(=O)Cc2cccnc2)C1 ZINC001317198910 957340026 /nfs/dbraw/zinc/34/00/26/957340026.db2.gz CBZSFRKZJDGRDO-ZBFHGGJFSA-N 0 3 285.391 1.474 10 30 CDEEHN C#CCN1CCC[C@H]([C@H](C)NC(=O)Cc2ccoc2)C1 ZINC001317200703 957340216 /nfs/dbraw/zinc/34/02/16/957340216.db2.gz LWMWSXZCXBTNDI-ZFWWWQNUSA-N 0 3 274.364 1.672 10 30 CDEEHN Cc1cc(CN[C@@H](C)CNC(=O)[C@@H](C)C#N)sn1 ZINC001317231327 957360856 /nfs/dbraw/zinc/36/08/56/957360856.db2.gz YXPGRDPFNNZBKM-WPRPVWTQSA-N 0 3 266.370 1.206 10 30 CDEEHN C#CCN[C@H]1C[C@@H](C)N(C(=O)CCCOCC)C1 ZINC001331960377 957365069 /nfs/dbraw/zinc/36/50/69/957365069.db2.gz SAASGDQBOZVGGF-OLZOCXBDSA-N 0 3 252.358 1.015 10 30 CDEEHN C#CCN[C@@H]1C[C@H](C)N(C(=O)CCCOCC)C1 ZINC001331960378 957365887 /nfs/dbraw/zinc/36/58/87/957365887.db2.gz SAASGDQBOZVGGF-QWHCGFSZSA-N 0 3 252.358 1.015 10 30 CDEEHN CC#CCN[C@H](C)CNC(=O)c1ccc(C(C)C)nc1 ZINC001317247910 957378518 /nfs/dbraw/zinc/37/85/18/957378518.db2.gz XKLFIHWOHRPMCR-CYBMUJFWSA-N 0 3 273.380 1.936 10 30 CDEEHN CC#CCN[C@H](C)CNC(=O)c1ccc(COC)c(F)c1 ZINC001317285423 957405003 /nfs/dbraw/zinc/40/50/03/957405003.db2.gz TZSILBUCAOWTHV-GFCCVEGCSA-N 0 3 292.354 1.703 10 30 CDEEHN C=CCNC(=O)CN[C@H]1CCN(C(=O)CCCC(C)C)C1 ZINC001317306468 957415341 /nfs/dbraw/zinc/41/53/41/957415341.db2.gz XXVLEJAQBOEVOJ-AWEZNQCLSA-N 0 3 295.427 1.305 10 30 CDEEHN C#CCN[C@H]1CCN(C(=O)CCCn2cccc2)C1 ZINC001317310612 957416636 /nfs/dbraw/zinc/41/66/36/957416636.db2.gz UCFDYMADQMCJTA-AWEZNQCLSA-N 0 3 259.353 1.092 10 30 CDEEHN C#CCN1CCC(C(=O)Nc2cnn3ccccc23)CC1 ZINC001332171870 957463534 /nfs/dbraw/zinc/46/35/34/957463534.db2.gz YFWOXMRIUNVDOW-UHFFFAOYSA-N 0 3 282.347 1.618 10 30 CDEEHN CN(CCNC(=O)C#CC1CC1)C[C@@H]1CCCCO1 ZINC001317447918 957482210 /nfs/dbraw/zinc/48/22/10/957482210.db2.gz JLJKWKJKHXDVPW-AWEZNQCLSA-N 0 3 264.369 1.017 10 30 CDEEHN C=CCN(CC)CCNC(=O)c1ncoc1[C@H]1CCCO1 ZINC001317484568 957503945 /nfs/dbraw/zinc/50/39/45/957503945.db2.gz ROQKZDZBSMSMGE-GFCCVEGCSA-N 0 3 293.367 1.764 10 30 CDEEHN C=C(C)[C@H](CC(=O)NC[C@H]1CCN(CC#CC)C1)OCC ZINC001317519710 957526617 /nfs/dbraw/zinc/52/66/17/957526617.db2.gz FNUFDKMYFOFRIZ-CVEARBPZSA-N 0 3 292.423 1.819 10 30 CDEEHN CC#CCN1CC[C@H](CNC(=O)CC(F)(F)F)C1 ZINC001317521977 957528622 /nfs/dbraw/zinc/52/86/22/957528622.db2.gz IYXTZKRQPBZPMC-SNVBAGLBSA-N 0 3 262.275 1.400 10 30 CDEEHN C=C(C)CCC(=O)N1C[C@@H](N[C@H](C)C(=O)NC)C(C)(C)C1 ZINC001332385897 957542092 /nfs/dbraw/zinc/54/20/92/957542092.db2.gz CBKUWEWITHGBFM-CHWSQXEVSA-N 0 3 295.427 1.304 10 30 CDEEHN C=C(C)CN(CCNC(=O)[C@H]1C[C@@H](C)CO1)C1CC1 ZINC001317555982 957552073 /nfs/dbraw/zinc/55/20/73/957552073.db2.gz WJJAANZWTCWRHR-TZMCWYRMSA-N 0 3 266.385 1.568 10 30 CDEEHN C#CCNCCN(C)C(=O)c1ccc(F)c(F)c1 ZINC001317595462 957588957 /nfs/dbraw/zinc/58/89/57/957588957.db2.gz CXIPWICIOMIZRI-UHFFFAOYSA-N 0 3 252.264 1.260 10 30 CDEEHN CCCN(C(=O)CN(C)C(C)C)[C@@H]1CCN(CC#N)C1 ZINC001317770780 957650725 /nfs/dbraw/zinc/65/07/25/957650725.db2.gz BFTHZHQLVHKVPM-CQSZACIVSA-N 0 3 280.416 1.163 10 30 CDEEHN C=CCN(C)C[C@H](O)CN(C)C(=O)c1cc(C2CC2)on1 ZINC001332648866 957654878 /nfs/dbraw/zinc/65/48/78/957654878.db2.gz RVEGLODFCAOHAY-LBPRGKRZSA-N 0 3 293.367 1.103 10 30 CDEEHN C=CCNC(=O)CNC[C@@H](NC(=O)C=C(C)C)C(C)(C)C ZINC001332755673 957815591 /nfs/dbraw/zinc/81/55/91/957815591.db2.gz INWXUMOKBYEVDB-CYBMUJFWSA-N 0 3 295.427 1.375 10 30 CDEEHN C=CCC[C@@H](C)N1CC(NC(=O)CN(C)CCC)C1 ZINC001318079798 957905108 /nfs/dbraw/zinc/90/51/08/957905108.db2.gz LKSOLUWEPJXEDG-CYBMUJFWSA-N 0 3 267.417 1.483 10 30 CDEEHN C=C(C)CCN1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H](C)OC ZINC001318190944 957966916 /nfs/dbraw/zinc/96/69/16/957966916.db2.gz SEBKDWUKRNUTBJ-RDBSUJKOSA-N 0 3 266.385 1.663 10 30 CDEEHN C=CCCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@]12C[C@H]1COC2 ZINC001318198448 957969142 /nfs/dbraw/zinc/96/91/42/957969142.db2.gz UQTGOCSZNCXBKF-YXWQFLTLSA-N 0 3 276.380 1.274 10 30 CDEEHN C[C@H](C#N)C(=O)N(C)[C@H](C)CNCc1ccccc1F ZINC001367364888 957970324 /nfs/dbraw/zinc/97/03/24/957970324.db2.gz XRHROEXSELGTTQ-VXGBXAGGSA-N 0 3 277.343 1.922 10 30 CDEEHN C=C(C)CCN1CC[C@@H](NC(=O)CCCC(C)=O)C1 ZINC001318312121 958025563 /nfs/dbraw/zinc/02/55/63/958025563.db2.gz NCVAPAREBAQYOJ-CQSZACIVSA-N 0 3 266.385 1.902 10 30 CDEEHN C#CCCN1CC[C@@H](NC(=O)CCc2cncc(C)c2)C1 ZINC001318345504 958047988 /nfs/dbraw/zinc/04/79/88/958047988.db2.gz VJCCTDJSDALHDB-MRXNPFEDSA-N 0 3 285.391 1.536 10 30 CDEEHN C=CCN1CC[C@H](N(CC)C(=O)C[C@@H](C)OC)C1 ZINC001318460290 958117905 /nfs/dbraw/zinc/11/79/05/958117905.db2.gz XQVSKSODVRMTBM-OLZOCXBDSA-N 0 3 254.374 1.520 10 30 CDEEHN C=C(C)CN1CC[C@@H](N(C)C(=O)CCCn2cccn2)C1 ZINC001494866928 972326910 /nfs/dbraw/zinc/32/69/10/972326910.db2.gz CCZBACRNGYHLKC-OAHLLOKOSA-N 0 3 290.411 1.772 10 30 CDEEHN C=C(C)CN1CC[C@H](N(CC)C(=O)[C@H](C)n2cncn2)C1 ZINC001494892199 972331470 /nfs/dbraw/zinc/33/14/70/972331470.db2.gz CZFAGKUHIHTWKT-KBPBESRZSA-N 0 3 291.399 1.338 10 30 CDEEHN C#CCOCCC(=O)NCC1(NCCF)CCCC1 ZINC001319352207 958513177 /nfs/dbraw/zinc/51/31/77/958513177.db2.gz SGURNRCCCJWVCZ-UHFFFAOYSA-N 0 3 270.348 1.014 10 30 CDEEHN CC#CCNC[C@@H](C)N(C)C(=O)C(=O)C(C)(C)C ZINC001319435262 958558239 /nfs/dbraw/zinc/55/82/39/958558239.db2.gz BSHVCSHORASLNM-LLVKDONJSA-N 0 3 252.358 1.061 10 30 CDEEHN C=CCCC(=O)NC[C@@H](NCc1cnc(C)nc1)C(C)C ZINC001319900296 958777584 /nfs/dbraw/zinc/77/75/84/958777584.db2.gz UMTBRTHFTZQLGS-OAHLLOKOSA-N 0 3 290.411 1.982 10 30 CDEEHN C=CCN(C)CCN(C)C(=O)C[C@@H](C)c1cnn(C)c1 ZINC001320028799 958878431 /nfs/dbraw/zinc/87/84/31/958878431.db2.gz CLORRPQQQWYMEP-CYBMUJFWSA-N 0 3 278.400 1.490 10 30 CDEEHN C=CCN(C)CCN(C)C(=O)c1cc2ccccc2nn1 ZINC001320029450 958880055 /nfs/dbraw/zinc/88/00/55/958880055.db2.gz ZQVUOMYUQJPIPM-UHFFFAOYSA-N 0 3 284.363 1.820 10 30 CDEEHN C#CCCN(C)CCN(C)C(=O)c1cnn(CC(C)C)c1 ZINC001320066278 958917452 /nfs/dbraw/zinc/91/74/52/958917452.db2.gz FAJVINSSEBUIDO-UHFFFAOYSA-N 0 3 290.411 1.566 10 30 CDEEHN Cc1nc(C)c(CN[C@@H](C)CCNC(=O)[C@H](C)C#N)o1 ZINC001368705917 959059787 /nfs/dbraw/zinc/05/97/87/959059787.db2.gz CFEJFCOZECEGLY-ZJUUUORDSA-N 0 3 278.356 1.436 10 30 CDEEHN C=C1CCC(C(=O)NC2(CNCC(N)=O)CCCC2)CC1 ZINC001495187923 972435956 /nfs/dbraw/zinc/43/59/56/972435956.db2.gz UHWKDDHANFWDFC-UHFFFAOYSA-N 0 3 293.411 1.237 10 30 CDEEHN C#CCNC/C=C\CNC(=O)C[C@@H](C)n1ccnc1CC ZINC001321067247 959572192 /nfs/dbraw/zinc/57/21/92/959572192.db2.gz SVBVWHQQBYKUHU-LMVHVUTASA-N 0 3 288.395 1.292 10 30 CDEEHN CC#CCNC/C=C\CNC(=O)c1occ2c1CCC2 ZINC001321173516 959632012 /nfs/dbraw/zinc/63/20/12/959632012.db2.gz GJYLDPOHSWTDHW-PLNGDYQASA-N 0 3 272.348 1.667 10 30 CDEEHN C#CCNC/C=C/CNC(=O)[C@H]1CC(=O)Nc2ccccc21 ZINC001321177435 959634946 /nfs/dbraw/zinc/63/49/46/959634946.db2.gz CWVISUIIVYIEKA-GJBLVYBDSA-N 0 3 297.358 1.008 10 30 CDEEHN CC#CCNC/C=C/CNC(=O)c1cccn1CC ZINC001321403357 959769478 /nfs/dbraw/zinc/76/94/78/959769478.db2.gz NSZDLVRQYGYYQC-VOTSOKGWSA-N 0 3 259.353 1.407 10 30 CDEEHN C=CCC(C)(C)C(=O)N[C@H](C)CNCC(=O)NC(C)(C)C ZINC001321661971 959895174 /nfs/dbraw/zinc/89/51/74/959895174.db2.gz PKXSJJWJSGQEDC-GFCCVEGCSA-N 0 3 297.443 1.598 10 30 CDEEHN C[C@@H](CNCC#Cc1ccccc1)NC(=O)c1cc(F)c[nH]1 ZINC001321927489 960018213 /nfs/dbraw/zinc/01/82/13/960018213.db2.gz ZAHREKWXSNLAIJ-ZDUSSCGKSA-N 0 3 299.349 1.913 10 30 CDEEHN C=CCN(C)C[C@H](C)NC(=O)c1cc2ccccc2nn1 ZINC001322219254 960137045 /nfs/dbraw/zinc/13/70/45/960137045.db2.gz STLOWHGOSSXDRA-LBPRGKRZSA-N 0 3 284.363 1.866 10 30 CDEEHN C=CCN(C)C[C@H](C)NC(=O)COc1cccnc1 ZINC001322269770 960159784 /nfs/dbraw/zinc/15/97/84/960159784.db2.gz QTRVKFQEHHTJRY-LBPRGKRZSA-N 0 3 263.341 1.083 10 30 CDEEHN C=CCN(C)C[C@@H](C)NC(=O)c1c(C)nn(CC)c1C ZINC001322269434 960161343 /nfs/dbraw/zinc/16/13/43/960161343.db2.gz OFWBNZNNXZYTSC-LLVKDONJSA-N 0 3 278.400 1.756 10 30 CDEEHN C=C(C)CCN1CC[C@@H]1CNC(=O)COc1cccnc1 ZINC001323318181 960644966 /nfs/dbraw/zinc/64/49/66/960644966.db2.gz LCNLNITTZWZPMK-CQSZACIVSA-N 0 3 289.379 1.617 10 30 CDEEHN CC#CCNC1(CNC(=O)c2cncnc2C2CC2)CC1 ZINC001323601664 960854361 /nfs/dbraw/zinc/85/43/61/960854361.db2.gz HMMXXHOTZILZPG-UHFFFAOYSA-N 0 3 284.363 1.229 10 30 CDEEHN CC#CCNC1(CNC(=O)C[C@@H]2CCCOC2)CC1 ZINC001323614494 960864025 /nfs/dbraw/zinc/86/40/25/960864025.db2.gz YWDRKECMZLXAJP-ZDUSSCGKSA-N 0 3 264.369 1.065 10 30 CDEEHN N#CC1(C[C@@H](O)CN2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 ZINC001434500023 961556870 /nfs/dbraw/zinc/55/68/70/961556870.db2.gz 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