smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NNC(=O)C1(c2ccc(Cl)cc2)CC1)NC1CCCC1 ZINC000065919927 398351067 /nfs/dbraw/zinc/35/10/67/398351067.db2.gz XEXCJTUICPIEHK-UHFFFAOYSA-N 0 0 321.808 2.645 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)N(CC)CC(C)(C)O)cc1 ZINC000081970770 398377202 /nfs/dbraw/zinc/37/72/02/398377202.db2.gz FMVSPPCZJULUDV-PTNGSMBKSA-N 0 0 316.401 2.612 20 50 DFGDRN C[C@@H]1CCC[C@@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000083216379 398385230 /nfs/dbraw/zinc/38/52/30/398385230.db2.gz GDHIMXOMQPMYSP-PELKAZGASA-N 0 0 313.760 2.612 20 50 DFGDRN C[C@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000083216388 398385596 /nfs/dbraw/zinc/38/55/96/398385596.db2.gz GDHIMXOMQPMYSP-QPUJVOFHSA-N 0 0 313.760 2.612 20 50 DFGDRN CC(C)CCC(=O)NNC(=O)NCC[C@@H](C)c1ccccc1 ZINC000067080830 398416024 /nfs/dbraw/zinc/41/60/24/398416024.db2.gz OAHGWRUHSJMNCU-CQSZACIVSA-N 0 0 305.422 2.947 20 50 DFGDRN CC(C)CCC(=O)NNC=C1C(=O)CC2(CCCCC2)CC1=O ZINC000067190517 398422440 /nfs/dbraw/zinc/42/24/40/398422440.db2.gz IMNBSDOGEKCBEP-UHFFFAOYSA-N 0 0 320.433 2.810 20 50 DFGDRN N#C/C(=C\c1cccc2c1OCCCO2)C(=O)Nc1ccncc1 ZINC000091539379 398534348 /nfs/dbraw/zinc/53/43/48/398534348.db2.gz PVHYCHPRYBCNLV-SDNWHVSQSA-N 0 0 321.336 2.789 20 50 DFGDRN Cc1ccccc1[C@@H](NC(=O)NNC(=O)C1CCC1)C(C)C ZINC000069960067 398589992 /nfs/dbraw/zinc/58/99/92/398589992.db2.gz ABNMOIJTCPHJOO-HNNXBMFYSA-N 0 0 303.406 2.823 20 50 DFGDRN CCOC(=O)NNC(=O)N=c1cc(-c2ccccc2)[nH]s1 ZINC000092926900 398608225 /nfs/dbraw/zinc/60/82/25/398608225.db2.gz LUAAYLRCTVNVNJ-UHFFFAOYSA-N 0 0 306.347 2.593 20 50 DFGDRN CCOC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000073408339 398678877 /nfs/dbraw/zinc/67/88/77/398678877.db2.gz ZANOHOZQQOPXJQ-VHSXEESVSA-N 0 0 316.279 2.586 20 50 DFGDRN Cc1ccccc1C(=O)NNC(=O)N1CCC[C@H]1c1ccncc1 ZINC000050095709 398803656 /nfs/dbraw/zinc/80/36/56/398803656.db2.gz KMZYDMHRRIAYHA-INIZCTEOSA-N 0 0 324.384 2.582 20 50 DFGDRN Cc1cc(C(=O)NNC(=O)CCc2cc(F)ccc2F)c(C)o1 ZINC000052938354 398856492 /nfs/dbraw/zinc/85/64/92/398856492.db2.gz QDCGIETUJHHCDY-UHFFFAOYSA-N 0 0 322.311 2.568 20 50 DFGDRN Cc1ccc(-c2ccsc2C(=O)NNC(=O)NC2CC2)cc1 ZINC000053919634 398884362 /nfs/dbraw/zinc/88/43/62/398884362.db2.gz HKBRBCMPSJRGSP-UHFFFAOYSA-N 0 0 315.398 2.830 20 50 DFGDRN C[C@@H]1c2ccsc2CCN1C(=O)NNC(=O)c1ccccc1 ZINC000053954810 398885071 /nfs/dbraw/zinc/88/50/71/398885071.db2.gz ZRAMDGPWHMTGNE-LLVKDONJSA-N 0 0 315.398 2.722 20 50 DFGDRN CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCO[C@H](C)C2)c1C ZINC000054215738 398893578 /nfs/dbraw/zinc/89/35/78/398893578.db2.gz ZOTTYQDRVKNLDT-AYCSXLNKSA-N 0 0 315.417 2.669 20 50 DFGDRN O=C(/C=C/c1ccc(F)c(Cl)c1)NNC(=O)c1ccoc1 ZINC000142943733 398900221 /nfs/dbraw/zinc/90/02/21/398900221.db2.gz KFSGARHWFRVZEE-DUXPYHPUSA-N 0 0 308.696 2.547 20 50 DFGDRN COC(=O)NNC(=O)/C=C(/c1ccc(Cl)cc1)C(F)(F)F ZINC000158896130 398960744 /nfs/dbraw/zinc/96/07/44/398960744.db2.gz DFBZYPIXJZVBIY-TWGQIWQCSA-N 0 0 322.670 2.673 20 50 DFGDRN CC(C)C(=O)NC1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1 ZINC000078686616 398978728 /nfs/dbraw/zinc/97/87/28/398978728.db2.gz GAFRNULPKYJEJF-REZTVBANSA-N 0 0 315.392 2.927 20 50 DFGDRN CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCc2c1cccc2F ZINC000056857095 398996577 /nfs/dbraw/zinc/99/65/77/398996577.db2.gz FQNDJXCMZXKKIE-GFCCVEGCSA-N 0 0 309.341 2.552 20 50 DFGDRN Cc1ccc(SC2(C(=O)NNC(=O)C3CC3)CCCC2)cc1 ZINC000079508194 399051788 /nfs/dbraw/zinc/05/17/88/399051788.db2.gz GPQJLQMOOFKJLD-UHFFFAOYSA-N 0 0 318.442 2.957 20 50 DFGDRN Cc1cc(O[C@H](C)C(=O)NNC(=O)NC(C)C)ccc1C(C)C ZINC000063268901 399182435 /nfs/dbraw/zinc/18/24/35/399182435.db2.gz ZLQHCIXKGOHAOY-CYBMUJFWSA-N 0 0 321.421 2.625 20 50 DFGDRN CCNC(=O)NNC(=O)/C=C/c1sc2ccccc2c1Cl ZINC000065190819 399238571 /nfs/dbraw/zinc/23/85/71/399238571.db2.gz YFQMFBHIWHSIPB-BQYQJAHWSA-N 0 0 323.805 2.918 20 50 DFGDRN CN(CCc1ccccc1O)C(=O)/C(C#N)=C/c1ccc(O)cc1 ZINC000491047205 269689593 /nfs/dbraw/zinc/68/95/93/269689593.db2.gz IITADZDWGZWVHB-FOWTUZBSSA-N 0 0 322.364 2.706 20 50 DFGDRN Cc1c(NNC(=O)/C=C/c2cccc(C#N)c2)cccc1[N+](=O)[O-] ZINC000492204242 269906120 /nfs/dbraw/zinc/90/61/20/269906120.db2.gz JLJVHCIAFYUPPG-CMDGGOBGSA-N 0 0 322.324 2.931 20 50 DFGDRN N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](c1cccnc1)C1CC1 ZINC000490975515 269941288 /nfs/dbraw/zinc/94/12/88/269941288.db2.gz PIZBBZWPHABBQL-FJJYYWMZSA-N 0 0 319.364 2.962 20 50 DFGDRN N#C/C(=C/c1ccc(Br)cc1C(F)(F)F)C(N)=O ZINC000490700203 269937723 /nfs/dbraw/zinc/93/77/23/269937723.db2.gz UTUPDSNRBOUNGQ-CLTKARDFSA-N 0 0 319.080 2.860 20 50 DFGDRN N#C/C(=C\c1cnc(-c2ccccn2)s1)C(=O)N1CCCC1 ZINC000490726504 269943495 /nfs/dbraw/zinc/94/34/95/269943495.db2.gz RRKCAKVFSPAMOE-FMIVXFBMSA-N 0 0 310.382 2.734 20 50 DFGDRN C=CCOc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1OC ZINC000006827433 263970760 /nfs/dbraw/zinc/97/07/60/263970760.db2.gz FIAGTGYIWYIFKL-NTEUORMPSA-N 0 0 300.358 2.692 20 50 DFGDRN COC[C@H](C)OC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Cl ZINC000007157547 263996959 /nfs/dbraw/zinc/99/69/59/263996959.db2.gz CPVQAMSKPNKWLT-WUFUFFIZSA-N 0 0 324.720 2.733 20 50 DFGDRN C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCO2)o1 ZINC000008117568 264005927 /nfs/dbraw/zinc/00/59/27/264005927.db2.gz BSVOPPSFTPHZFQ-HEGXUARQSA-N 0 0 300.358 2.605 20 50 DFGDRN Cc1c(/C=C(\C#N)C(=O)N[C@@H]2CCC[C@H](C)C2)cc(C#N)n1C ZINC000033185782 264007250 /nfs/dbraw/zinc/00/72/50/264007250.db2.gz JNAANOLYTABXAN-HOKWPKGKSA-N 0 0 310.401 2.807 20 50 DFGDRN Cc1c(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)cc(C#N)n1C ZINC000025672568 264007432 /nfs/dbraw/zinc/00/74/32/264007432.db2.gz XDGLGIKOTYDTQC-CAOOACKPSA-N 0 0 318.380 2.737 20 50 DFGDRN Cc1nn(CC(C)C)c(Cl)c1/C=C(\C#N)C(=O)NC1CC1 ZINC000016439166 264013790 /nfs/dbraw/zinc/01/37/90/264013790.db2.gz XUCXMTUSBYTLOS-IZZDOVSWSA-N 0 0 306.797 2.687 20 50 DFGDRN Cc1nn(Cc2ccccc2Cl)c(C)c1/C=C(\C#N)C(N)=O ZINC000007154671 264013877 /nfs/dbraw/zinc/01/38/77/264013877.db2.gz LBRUEXFYZJZAFL-NTUHNPAUSA-N 0 0 314.776 2.594 20 50 DFGDRN Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)NC(C)C ZINC000016440677 264014212 /nfs/dbraw/zinc/01/42/12/264014212.db2.gz KXZSWZZVTCKMPS-XNTDXEJSSA-N 0 0 308.385 2.921 20 50 DFGDRN N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1nnc2n1CCCCC2 ZINC000007158891 264018027 /nfs/dbraw/zinc/01/80/27/264018027.db2.gz RNTWHEMZQVYCSH-JLHYYAGUSA-N 0 0 309.329 2.977 20 50 DFGDRN N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)Nc1nccs1 ZINC000003617102 264018116 /nfs/dbraw/zinc/01/81/16/264018116.db2.gz QGHCTCALBVQABD-JXMROGBWSA-N 0 0 300.299 2.597 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CCOCC)c1C ZINC000180190340 269997848 /nfs/dbraw/zinc/99/78/48/269997848.db2.gz RZKLWPKEKVTUHB-SFQUDFHCSA-N 0 0 317.433 2.917 20 50 DFGDRN CCCn1cc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)cn1 ZINC000490695250 270002489 /nfs/dbraw/zinc/00/24/89/270002489.db2.gz MOZBJJXSHXKPDA-RQZCQDPDSA-N 0 0 308.385 2.825 20 50 DFGDRN CC(C)(C)OC(=O)NNC(=O)C(C)(C)c1cc(F)cc(C#N)c1 ZINC000285313244 265723298 /nfs/dbraw/zinc/72/32/98/265723298.db2.gz ZEFXLBJSYBZUBQ-UHFFFAOYSA-N 0 0 321.352 2.531 20 50 DFGDRN CC(C)(C)n1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)nn1 ZINC000191212945 265746940 /nfs/dbraw/zinc/74/69/40/265746940.db2.gz LBXZQMAULOMWGV-DHZHZOJOSA-N 0 0 313.336 2.718 20 50 DFGDRN CC(C)CNC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1Cl ZINC000181294556 265806844 /nfs/dbraw/zinc/80/68/44/265806844.db2.gz NLQAKOQCBASTAW-VZUCSPMQSA-N 0 0 307.737 2.927 20 50 DFGDRN CCCCCCNC(=O)/C(C#N)=C/c1cnn(CCCl)c1 ZINC000171540230 266023803 /nfs/dbraw/zinc/02/38/03/266023803.db2.gz IIBDDPBQCXWWIC-NTEUORMPSA-N 0 0 308.813 2.725 20 50 DFGDRN CCCCS(=O)(=O)/C(C#N)=C\c1ccc(NC(C)=O)cc1 ZINC000192098572 266035694 /nfs/dbraw/zinc/03/56/94/266035694.db2.gz DVIDLGAKVJDELB-GDNBJRDFSA-N 0 0 306.387 2.724 20 50 DFGDRN CCCC[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C(=O)OC ZINC000184246622 266038882 /nfs/dbraw/zinc/03/88/82/266038882.db2.gz LVXJDYGQHWAGDF-VSKPTYQZSA-N 0 0 318.348 2.581 20 50 DFGDRN CCCNC(=O)/C(C#N)=C\c1cccc(Br)c1OC ZINC000186859760 266055657 /nfs/dbraw/zinc/05/56/57/266055657.db2.gz WNSZSXKQIHHGSL-FLIBITNWSA-N 0 0 323.190 2.891 20 50 DFGDRN CCCS(=O)(=O)/C(C#N)=C/c1cn(C)nc1-c1cccs1 ZINC000191754543 266061502 /nfs/dbraw/zinc/06/15/02/266061502.db2.gz XYPUYMPFETVKMW-XYOKQWHBSA-N 0 0 321.427 2.838 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](O)C(C)C)c1C ZINC000268596782 266088166 /nfs/dbraw/zinc/08/81/66/266088166.db2.gz GYPHQIXXVDGKJC-JDZKTDJGSA-N 0 0 317.433 2.555 20 50 DFGDRN CCCn1nc(C)c(/C=C(\C#N)C(=O)NC2CCCC2)c1C ZINC000178029972 266091254 /nfs/dbraw/zinc/09/12/54/266091254.db2.gz VFKCNZMWBPVATH-GXDHUFHOSA-N 0 0 300.406 2.876 20 50 DFGDRN CCN1CCN(C2CCN(/C(=C/C#N)c3ccccc3)CC2)C1=O ZINC000378000721 266149817 /nfs/dbraw/zinc/14/98/17/266149817.db2.gz JZLYLSXKPJJZFV-QGMBQPNBSA-N 0 0 324.428 2.773 20 50 DFGDRN CCO/C=C(/C#N)C(=O)NCc1cc(Br)cs1 ZINC000131238933 266179657 /nfs/dbraw/zinc/17/96/57/266179657.db2.gz QOECANOACLLXSB-VURMDHGXSA-N 0 0 315.192 2.571 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N(C)Cc1nc2ccccc2s1 ZINC000178949596 266187748 /nfs/dbraw/zinc/18/77/48/266187748.db2.gz GWEIZYNWBIJEPI-ZHACJKMWSA-N 0 0 301.371 2.699 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000178970038 266196074 /nfs/dbraw/zinc/19/60/74/266196074.db2.gz LNVNTNVPMRDIFX-IDGBWPAGSA-N 0 0 314.385 2.545 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000178958828 266200977 /nfs/dbraw/zinc/20/09/77/266200977.db2.gz VHYMPAXNDASVTB-FQNOHDAGSA-N 0 0 320.776 2.684 20 50 DFGDRN CCO/C=C(\C#N)C(=O)NCc1ccccc1OC(F)(F)F ZINC000178951509 266219348 /nfs/dbraw/zinc/21/93/48/266219348.db2.gz RQCJCNJRPXMVAW-PKNBQFBNSA-N 0 0 314.263 2.645 20 50 DFGDRN CCO/C=C(\C#N)C(=O)Nc1cc(Br)ccc1F ZINC000178959110 266231867 /nfs/dbraw/zinc/23/18/67/266231867.db2.gz QLUYWQOIWVGHHQ-BQYQJAHWSA-N 0 0 313.126 2.971 20 50 DFGDRN CCOC(=O)C(C#N)=CNCc1cccc(-c2cccnc2)c1 ZINC000375103907 266245532 /nfs/dbraw/zinc/24/55/32/266245532.db2.gz DNCQYJXVLMAUPK-GHRIWEEISA-N 0 0 307.353 2.809 20 50 DFGDRN CCOC(=O)C(C#N)=CNCc1ccccc1OCC1CC1 ZINC000172486662 266245692 /nfs/dbraw/zinc/24/56/92/266245692.db2.gz AZCAUXBESHWJPJ-RVDMUPIBSA-N 0 0 300.358 2.536 20 50 DFGDRN CCOC(=O)C(C#N)=CN[C@@H](c1ccccc1)c1cccnc1 ZINC000171261652 266247117 /nfs/dbraw/zinc/24/71/17/266247117.db2.gz JFAHJYSNWZJSQY-MAUBAPBLSA-N 0 0 307.353 2.731 20 50 DFGDRN CCOC(=O)C(C#N)=CN[C@H](COC)c1ccc(Cl)cc1 ZINC000195213602 266249802 /nfs/dbraw/zinc/24/98/02/266249802.db2.gz WDSBVYZZNXYAQC-BRADTZPFSA-N 0 0 308.765 2.588 20 50 DFGDRN CCOC(=O)C(C#N)=CN[C@H]1CCCc2cc(OC)ccc21 ZINC000299416024 266250335 /nfs/dbraw/zinc/25/03/35/266250335.db2.gz FUCRHTYFPPYUCG-BYIUCRAPSA-N 0 0 300.358 2.633 20 50 DFGDRN CCOC(=O)C(C#N)=CNc1ccc(N2CCSCC2)cc1 ZINC000172809143 266251341 /nfs/dbraw/zinc/25/13/41/266251341.db2.gz POGPRVZTSAUGCP-OUKQBFOZSA-N 0 0 317.414 2.622 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](CC)COC)cc1 ZINC000133473212 266312465 /nfs/dbraw/zinc/31/24/65/266312465.db2.gz KAJZUUAXVSGGPA-LTBFUDJGSA-N 0 0 302.374 2.533 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCO[C@H](C)C2)cc1 ZINC000271271187 266323904 /nfs/dbraw/zinc/32/39/04/266323904.db2.gz NHULOTHUZCPDEB-QLILSWMVSA-N 0 0 314.385 2.676 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)COC)cc1F ZINC000278323588 266323984 /nfs/dbraw/zinc/32/39/84/266323984.db2.gz UIEWBTWRGQDHAY-ZTFCMROMSA-N 0 0 307.321 2.709 20 50 DFGDRN CC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1OCC(=O)N(C)C ZINC000263895776 266352407 /nfs/dbraw/zinc/35/24/07/266352407.db2.gz PGKDUECALGGGMH-QQFZQELXSA-N 0 0 314.385 2.676 20 50 DFGDRN CC[C@@H]1CN(/C(=C/C#N)c2ccc(F)cc2)C[C@@H](C)S1(=O)=O ZINC000287231524 266371698 /nfs/dbraw/zinc/37/16/98/266371698.db2.gz FZVPHNRAQXHHNV-JYVCUDMJSA-N 0 0 322.405 2.588 20 50 DFGDRN COc1cc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)cc(OC)c1 ZINC000280962616 266781295 /nfs/dbraw/zinc/78/12/95/266781295.db2.gz KQCNYHDVMVZOIQ-VYAXBHEWSA-N 0 0 301.342 2.606 20 50 DFGDRN C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N1CC=C(C#N)CC1 ZINC000271087277 266995346 /nfs/dbraw/zinc/99/53/46/266995346.db2.gz 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CCO/C=C(/C#N)C(=O)NCC(CC)(CC)C(=O)OC(C)(C)C ZINC000491043742 267085884 /nfs/dbraw/zinc/08/58/84/267085884.db2.gz AIJZVQLYFUMTIG-QBFSEMIESA-N 0 0 324.421 2.695 20 50 DFGDRN CCO/C=C(/C#N)C(=O)NCc1nc2ccccc2n1C(C)C ZINC000490752358 267091869 /nfs/dbraw/zinc/09/18/69/267091869.db2.gz BVOMMUHUOWEIGL-QBFSEMIESA-N 0 0 312.373 2.677 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@@H]1CCc2[nH]c3ccc(C)cc3c2C1 ZINC000490844437 267095716 /nfs/dbraw/zinc/09/57/16/267095716.db2.gz QEHTZIIBNPSGOH-YBEMTRGBSA-N 0 0 323.396 2.894 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@H](CCCOC)Cc1ccccc1 ZINC000490664168 267098449 /nfs/dbraw/zinc/09/84/49/267098449.db2.gz OPHXXIXLSOHXKM-YHKKIHSWSA-N 0 0 316.401 2.584 20 50 DFGDRN CCO/C=C(/C#N)C(=O)Nc1ccc(Nc2ncccn2)cc1 ZINC000491082216 267101224 /nfs/dbraw/zinc/10/12/24/267101224.db2.gz IFNGQCVYLXOTFR-QXMHVHEDSA-N 0 0 309.329 2.603 20 50 DFGDRN CCO/C=C(/C#N)C(=O)Nc1ccccc1N[C@H](C)COC ZINC000491162164 267102452 /nfs/dbraw/zinc/10/24/52/267102452.db2.gz QVFXEWXKIUMBDR-NPRUJURCSA-N 0 0 303.362 2.516 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@@H](c1cc(F)ccc1F)C(F)F ZINC000491009403 267106437 /nfs/dbraw/zinc/10/64/37/267106437.db2.gz JZMAJAKCAAQXPJ-GUOLPTJISA-N 0 0 316.254 2.831 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C ZINC000491177561 267106628 /nfs/dbraw/zinc/10/66/28/267106628.db2.gz XOVXBVWJPMZYIK-XRZYUTHKSA-N 0 0 308.422 2.920 20 50 DFGDRN CCO/C=C(\C#N)C(=O)Nc1ccc(OC(F)(F)F)cc1O ZINC000490700371 267110003 /nfs/dbraw/zinc/11/00/03/267110003.db2.gz VGHIIDJTQXWZJV-BQYQJAHWSA-N 0 0 316.235 2.673 20 50 DFGDRN C[C@@]1(O)CCCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1 ZINC000279951041 267118726 /nfs/dbraw/zinc/11/87/26/267118726.db2.gz GQVKTBPHPSVXNJ-KNDGBBJPSA-N 0 0 301.346 2.696 20 50 DFGDRN CCOC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC)cc1 ZINC000490911144 267140369 /nfs/dbraw/zinc/14/03/69/267140369.db2.gz UCSBEVCVPGMCRR-LERPTODRSA-N 0 0 302.374 2.533 20 50 DFGDRN C[C@H](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)Oc1ccccc1 ZINC000185655017 267157326 /nfs/dbraw/zinc/15/73/26/267157326.db2.gz BDARSXDSHSBQFT-VQCBNXJZSA-N 0 0 322.364 2.883 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)[C@H](C)OC)cc1 ZINC000491135449 267158449 /nfs/dbraw/zinc/15/84/49/267158449.db2.gz UHJQBEMMVSESKC-JKIKXBSOSA-N 0 0 302.374 2.532 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NCCC[C@H](C)CO)cc1 ZINC000490814480 267160466 /nfs/dbraw/zinc/16/04/66/267160466.db2.gz VLJFMGUCQLEPOE-LUYJPIOASA-N 0 0 316.401 2.517 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NC2CC(C)(F)C2)cc1 ZINC000491173746 267160580 /nfs/dbraw/zinc/16/05/80/267160580.db2.gz FHFUALHSXUZUHA-MDWZMJQESA-N 0 0 302.349 2.999 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NCCc2ccncc2)cc1 ZINC000490725621 267160607 /nfs/dbraw/zinc/16/06/07/267160607.db2.gz INBOIEAHRZSOIP-GHRIWEEISA-N 0 0 321.380 2.746 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NCc2cccn2C)cc1 ZINC000490663783 267161284 /nfs/dbraw/zinc/16/12/84/267161284.db2.gz LUQVWSAMOXPIJS-RVDMUPIBSA-N 0 0 309.369 2.647 20 50 DFGDRN CCOc1ccc(C=C(C#N)C(=O)NNc2ncccc2C)cc1 ZINC000491132124 267161509 /nfs/dbraw/zinc/16/15/09/267161509.db2.gz MQLLCYQGQUBUNM-RVDMUPIBSA-N 0 0 322.368 2.839 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccn(C)c2)cc1 ZINC000490725450 267161905 /nfs/dbraw/zinc/16/19/05/267161905.db2.gz HCCFEQQDAHOXQN-MHWRWJLKSA-N 0 0 309.369 2.647 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccnn2CC)cc1 ZINC000490942926 267162708 /nfs/dbraw/zinc/16/27/08/267162708.db2.gz PXBYRWKYNAIXJR-SDNWHVSQSA-N 0 0 310.357 2.847 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccon2)cc1 ZINC000490814274 267163104 /nfs/dbraw/zinc/16/31/04/267163104.db2.gz UHDNIFIDJHKUSF-HLVNSREUSA-N 0 0 311.341 2.858 20 50 DFGDRN CCOc1ccc(NNC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1 ZINC000491174668 267171213 /nfs/dbraw/zinc/17/12/13/267171213.db2.gz IJCMJCBJSGBQCQ-KAMYIIQDSA-N 0 0 323.352 2.841 20 50 DFGDRN CCOc1ccccc1NC(=O)/C(C#N)=C\c1nc(C#N)cs1 ZINC000491106028 267175076 /nfs/dbraw/zinc/17/50/76/267175076.db2.gz RIVWWZRAEHMTNO-XFFZJAGNSA-N 0 0 324.365 2.959 20 50 DFGDRN CC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1C)c1ccccc1 ZINC000490695327 267190091 /nfs/dbraw/zinc/19/00/91/267190091.db2.gz MUIKNPDNZUQKGC-XBNGYDHASA-N 0 0 308.385 2.903 20 50 DFGDRN CC[C@@H]1CCN1C(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C ZINC000491157849 267202178 /nfs/dbraw/zinc/20/21/78/267202178.db2.gz AWSPPVFSKYHPNE-ZFOVBUMHSA-N 0 0 315.417 2.669 20 50 DFGDRN CC[C@H](C)[C@@H]1CCCCN1C(=O)/C(C#N)=C/c1cnn(C)c1 ZINC000491135465 267205963 /nfs/dbraw/zinc/20/59/63/267205963.db2.gz UIWQDIQEEBVFDJ-LVTPQQFMSA-N 0 0 300.406 2.754 20 50 DFGDRN CC[C@H](O)CNC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C ZINC000490943446 267224576 /nfs/dbraw/zinc/22/45/76/267224576.db2.gz RTCXGMJNMJQQOC-BDBSJLECSA-N 0 0 317.433 2.555 20 50 DFGDRN CCc1cc(OC)ccc1C=C(C#N)C(=O)Nc1ccncc1 ZINC000491102661 267245892 /nfs/dbraw/zinc/24/58/92/267245892.db2.gz INZUCGPXEYFQJS-GDNBJRDFSA-N 0 0 307.353 2.620 20 50 DFGDRN CCn1nccc1/C=C(/C#N)C(=O)N[C@H](C)c1ccc(OC)cc1 ZINC000490695244 267263073 /nfs/dbraw/zinc/26/30/73/267263073.db2.gz MNGOKVNRXOBLBU-LKKYZFDUSA-N 0 0 324.384 2.696 20 50 DFGDRN CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@H](CO)CC(C)(C)C ZINC000491012584 267267083 /nfs/dbraw/zinc/26/70/83/267267083.db2.gz ROPIFDRCQQQZDU-HNRFISLBSA-N 0 0 316.401 2.555 20 50 DFGDRN CN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1C2CC3CC(C2)CC1C3 ZINC000491080399 267269391 /nfs/dbraw/zinc/26/93/91/267269391.db2.gz DCZGNBHJJYBBRJ-IUXPMGMMSA-N 0 0 324.428 2.610 20 50 DFGDRN CNC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000491087438 267344964 /nfs/dbraw/zinc/34/49/64/267344964.db2.gz XHCSTITWIMAPRP-FARCUNLSSA-N 0 0 300.101 2.555 20 50 DFGDRN CO[C@@H]1C[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1(C)C ZINC000490874941 267530177 /nfs/dbraw/zinc/53/01/77/267530177.db2.gz HGRWFJDYPRIMLS-OFCDUSSDSA-N 0 0 302.349 2.662 20 50 DFGDRN COc1c(Br)cccc1/C=C(/C#N)C(=O)NC(C)C ZINC000490907611 267554096 /nfs/dbraw/zinc/55/40/96/267554096.db2.gz HYKWFAYQWALAKD-XFFZJAGNSA-N 0 0 323.190 2.889 20 50 DFGDRN COc1c(O)cccc1/C=C(/C#N)C(=O)N(C)Cc1ccccc1 ZINC000490698069 267555723 /nfs/dbraw/zinc/55/57/23/267555723.db2.gz ROBNKRYLWFXYPB-WJDWOHSUSA-N 0 0 322.364 2.966 20 50 DFGDRN Cn1c(CN2CC=C(C#N)CC2)nnc1-c1ccc(Cl)cc1 ZINC000274462904 267763022 /nfs/dbraw/zinc/76/30/22/267763022.db2.gz HUQNAAZJGZPFLH-UHFFFAOYSA-N 0 0 313.792 2.791 20 50 DFGDRN C[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000491177908 267837584 /nfs/dbraw/zinc/83/75/84/267837584.db2.gz ZQQFVDAMCGESSC-NHFJUXOWSA-N 0 0 300.406 2.658 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NCC1(O)CCCCC1 ZINC000183182219 267876655 /nfs/dbraw/zinc/87/66/55/267876655.db2.gz QOWCGSRPRMSYTN-UVTDQMKNSA-N 0 0 302.349 2.544 20 50 DFGDRN N#C/C(=C\c1c(Cl)nc2sccn12)C(=O)[C@@H]1CCCOC1 ZINC000280109049 267877956 /nfs/dbraw/zinc/87/79/56/267877956.db2.gz VMJKNDYXANJZIN-ZFZMKPAXSA-N 0 0 321.789 2.952 20 50 DFGDRN N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)[C@@H]1CCCOC1 ZINC000281267239 267910072 /nfs/dbraw/zinc/91/00/72/267910072.db2.gz WUFHVJFWIPHEAS-INQNZLQJSA-N 0 0 307.353 2.775 20 50 DFGDRN N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2OCCC[C@H]2C1 ZINC000246654900 267916054 /nfs/dbraw/zinc/91/60/54/267916054.db2.gz LLICPHRINWVPIV-IFWKDBCOSA-N 0 0 313.357 2.960 20 50 DFGDRN Cc1c(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)cnn1C ZINC000490700817 267937889 /nfs/dbraw/zinc/93/78/89/267937889.db2.gz VYDWRTWKNTVSET-QPEQYQDCSA-N 0 0 314.776 2.605 20 50 DFGDRN Cc1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)c(F)c2)cn1 ZINC000490691037 268023076 /nfs/dbraw/zinc/02/30/76/268023076.db2.gz DXQADUZWKPCFEE-MKMNVTDBSA-N 0 0 313.307 2.892 20 50 DFGDRN Cc1ccc(/C=C/C(=O)NNc2oc(C(C)C)nc2C#N)o1 ZINC000491884765 268024557 /nfs/dbraw/zinc/02/45/57/268024557.db2.gz NNLVFLHOKMJOJX-VOTSOKGWSA-N 0 0 300.318 2.728 20 50 DFGDRN Cc1cccc(CCCNC(=O)/C(C#N)=C/c2ccc(O)cc2)n1 ZINC000490940527 268051449 /nfs/dbraw/zinc/05/14/49/268051449.db2.gz IYUNVHHADGOJOO-FOWTUZBSSA-N 0 0 321.380 2.752 20 50 DFGDRN Cc1cccc(CN(C)C(=O)/C(C#N)=C\c2cnn(C)c2)c1C ZINC000491006430 268052027 /nfs/dbraw/zinc/05/20/27/268052027.db2.gz DDJKTEURBHVTCR-IUXPMGMMSA-N 0 0 308.385 2.603 20 50 DFGDRN Cc1cccc([C@@H](C)NC(=O)/C(C#N)=C\c2cnn(C)c2)c1C ZINC000491045900 268056280 /nfs/dbraw/zinc/05/62/80/268056280.db2.gz FXBSYVKWAGWSEB-MEFZMRIGSA-N 0 0 308.385 2.821 20 50 DFGDRN Cc1cccc([C@@H](C)CNC(=O)/C(C#N)=C\c2cnn(C)c2)c1 ZINC000491127554 268056303 /nfs/dbraw/zinc/05/63/03/268056303.db2.gz BJKDOFIGFQXOTC-RHUPODBASA-N 0 0 308.385 2.555 20 50 DFGDRN Cc1cccc2ncc(/C=C(\C#N)C(=O)NC3CCCCC3)n21 ZINC000490725429 268059567 /nfs/dbraw/zinc/05/95/67/268059567.db2.gz GXKFLDGPICSSGW-GXDHUFHOSA-N 0 0 308.385 2.999 20 50 DFGDRN Cc1ccccc1C(C)(C)NC(=O)/C(C#N)=C/c1cnn(C)c1 ZINC000491107448 268061104 /nfs/dbraw/zinc/06/11/04/268061104.db2.gz VJOIPLKVEGRAIR-OQLLNIDSSA-N 0 0 308.385 2.687 20 50 DFGDRN Cc1cn2cc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)ccc2n1 ZINC000491012395 268070867 /nfs/dbraw/zinc/07/08/67/268070867.db2.gz RALNHZHCXFICNC-ZSOIEALJSA-N 0 0 318.336 2.894 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2C2CCCCC2)cn1 ZINC000491083421 268116103 /nfs/dbraw/zinc/11/61/03/268116103.db2.gz LKEBDVFKKFQGGT-LPPOOGIUSA-N 0 0 312.417 2.898 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)N2CCCCc3ccccc32)cn1 ZINC000491106326 268116369 /nfs/dbraw/zinc/11/63/69/268116369.db2.gz RZFWDANYEKNENM-YBEGLDIGSA-N 0 0 306.369 2.697 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)NC2(c3ccccc3)CCC2)cn1 ZINC000491158570 268118206 /nfs/dbraw/zinc/11/82/06/268118206.db2.gz FTLHWUGUXAAGPU-GDNBJRDFSA-N 0 0 306.369 2.523 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)NC[C@H](c2ccccc2)C2CC2)cn1 ZINC000491009912 268119871 /nfs/dbraw/zinc/11/98/71/268119871.db2.gz KXWLEAGWHSIIOF-ZTXRYZOMSA-N 0 0 320.396 2.637 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCc3ccccc32)cn1 ZINC000491084514 268119977 /nfs/dbraw/zinc/11/99/77/268119977.db2.gz ODHGSYBWHLRHAM-KGTJKXQDSA-N 0 0 320.396 2.563 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N(CC2CC2)c2ccccc2)cn1 ZINC000491163774 268120224 /nfs/dbraw/zinc/12/02/24/268120224.db2.gz YDHWGZIJXZQIRP-CXUHLZMHSA-N 0 0 306.369 2.770 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1 ZINC000491159103 268121019 /nfs/dbraw/zinc/12/10/19/268121019.db2.gz HPCDVLFODOWDBS-NQUDRAQSSA-N 0 0 324.359 2.830 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1CC12CCOCC2 ZINC000491087895 268137588 /nfs/dbraw/zinc/13/75/88/268137588.db2.gz YBQUMODUAOAUQR-MZLJFPOFSA-N 0 0 314.360 2.666 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NCCc1cscn1 ZINC000490841966 268137793 /nfs/dbraw/zinc/13/77/93/268137793.db2.gz JZQDLCGCBOGILR-GHXNOFRVSA-N 0 0 301.346 2.548 20 50 DFGDRN N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1nc2ccccc2[nH]1 ZINC000490878704 268142722 /nfs/dbraw/zinc/14/27/22/268142722.db2.gz PSWQGXWGDZZWNP-XFXZXTDPSA-N 0 0 304.309 2.814 20 50 DFGDRN N#C/C(=C/c1ccnn1-c1ccccc1)C(=O)Nc1nccs1 ZINC000491127104 268143975 /nfs/dbraw/zinc/14/39/75/268143975.db2.gz AHCULMGYIPGCCT-BENRWUELSA-N 0 0 321.365 2.874 20 50 DFGDRN N#C/C(=C/c1nccn1Cc1ccccc1)C(=O)NC1CCCC1 ZINC000490639648 268145544 /nfs/dbraw/zinc/14/55/44/268145544.db2.gz XONFWBQCRGAIOB-VBKFSLOCSA-N 0 0 320.396 2.897 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(O)c(F)c1 ZINC000490847644 268148420 /nfs/dbraw/zinc/14/84/20/268148420.db2.gz YEUNBUKSCXJVGU-NTUHNPAUSA-N 0 0 314.291 2.894 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000490848260 268149565 /nfs/dbraw/zinc/14/95/65/268149565.db2.gz ZWEHOPAZTDYJGQ-OBNAIBOFSA-N 0 0 322.339 2.507 20 50 DFGDRN N#C/C(=C\c1ccc(O)cc1)C(=O)NC1(CCO)CCCCC1 ZINC000491105146 268152082 /nfs/dbraw/zinc/15/20/82/268152082.db2.gz PPHCLFPUEBMLDD-NTCAYCPXSA-N 0 0 314.385 2.501 20 50 DFGDRN N#C/C(=C\c1ccc(O)cc1)C(=O)NCc1ccc2c(c1)CCO2 ZINC000491051158 268153646 /nfs/dbraw/zinc/15/36/46/268153646.db2.gz RNLWIYVJGUZKMG-CXUHLZMHSA-N 0 0 320.348 2.550 20 50 DFGDRN N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](C#N)c1ccc(F)cc1 ZINC000491045697 268153784 /nfs/dbraw/zinc/15/37/84/268153784.db2.gz FRGUEPJLRWNBRZ-ZGUWOUCSSA-N 0 0 321.311 2.819 20 50 DFGDRN N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000491088218 268155208 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DFGDRN Cc1ccc([C@H]2CCCN2C(=O)/C(C#N)=C\c2cnn(C)c2)o1 ZINC000491101408 268046208 /nfs/dbraw/zinc/04/62/08/268046208.db2.gz DUYIYMUIWCBHER-CKNOQMABSA-N 0 0 310.357 2.592 20 50 DFGDRN Cc1cccc(CNC(=O)/C(C#N)=C/c2cnn3ccccc23)c1 ZINC000490689189 268053052 /nfs/dbraw/zinc/05/30/52/268053052.db2.gz AOLGSESNRBXZEY-MHWRWJLKSA-N 0 0 316.364 2.866 20 50 DFGDRN Cc1ccncc1CN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1 ZINC000490689503 268064688 /nfs/dbraw/zinc/06/46/88/268064688.db2.gz ATWJDBKHVWLMSJ-DHDCSXOGSA-N 0 0 307.353 2.661 20 50 DFGDRN Cc1ccoc1CN(C)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C ZINC000490943706 268066341 /nfs/dbraw/zinc/06/63/41/268066341.db2.gz SQNZRITVHIZHFY-CHHVJCJISA-N 0 0 322.368 2.672 20 50 DFGDRN Cc1ncccc1/C=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000490638017 268089038 /nfs/dbraw/zinc/08/90/38/268089038.db2.gz LHGNJHIWOMLIKC-NTEUORMPSA-N 0 0 321.336 2.707 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)NCC2(c3ccccc3)CCC2)cn1 ZINC000491162601 268119052 /nfs/dbraw/zinc/11/90/52/268119052.db2.gz 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DFGDRN COc1ccccc1[C@H](C)NC(=O)NNC(=O)CCC(C)C ZINC000067037540 398413828 /nfs/dbraw/zinc/41/38/28/398413828.db2.gz HOYUYQXVNPBIMZ-LBPRGKRZSA-N 0 0 307.394 2.523 20 50 DFGDRN N#C/C(=C/c1cc(F)ccc1Br)C(=O)NC1CC1 ZINC000090065299 398477156 /nfs/dbraw/zinc/47/71/56/398477156.db2.gz AHHIEVSHHHDOLN-UITAMQMPSA-N 0 0 309.138 2.774 20 50 DFGDRN CCOC(=O)NNC(=O)c1ccc(OCCC(C)C)c(OC)c1 ZINC000068903548 398536646 /nfs/dbraw/zinc/53/66/46/398536646.db2.gz WHHDBDJENKYIJF-UHFFFAOYSA-N 0 0 324.377 2.511 20 50 DFGDRN Cc1ccc(SCC(=O)NNC(=O)NC2CCCCC2)cc1 ZINC000042084314 398581498 /nfs/dbraw/zinc/58/14/98/398581498.db2.gz KGGHRRHBMMRFJY-UHFFFAOYSA-N 0 0 321.446 2.750 20 50 DFGDRN C[C@H](NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)C1CC1 ZINC000043634205 398626997 /nfs/dbraw/zinc/62/69/97/398626997.db2.gz PMQZDVZPSUDFNB-ZJUUUORDSA-N 0 0 321.446 2.615 20 50 DFGDRN Cc1ccccc1C(=O)NNC(=O)N[C@H](C)CCc1ccco1 ZINC000043725810 398628910 /nfs/dbraw/zinc/62/89/10/398628910.db2.gz VMYVCQZHYQFSGD-CYBMUJFWSA-N 0 0 315.373 2.553 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SFABETOBBOJZAX-DCCLBIMISA-N 0 0 315.417 2.525 20 50 DFGDRN C=Cn1cc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)cn1 ZINC000491134326 266835159 /nfs/dbraw/zinc/83/51/59/266835159.db2.gz RMPYYWRGXNCJEP-MKMNVTDBSA-N 0 0 312.760 2.860 20 50 DFGDRN CCCCCCNC(=O)/C(C#N)=C\c1ccc2c(c1)nnn2C ZINC000490724865 267001604 /nfs/dbraw/zinc/00/16/04/267001604.db2.gz BVGYLICDISAFPN-UVTDQMKNSA-N 0 0 311.389 2.572 20 50 DFGDRN C[C@@H]1CN(/C(=C/C#N)c2ccc(F)cc2)C[C@@]2(CCCOC2)O1 ZINC000373804049 267033235 /nfs/dbraw/zinc/03/32/35/267033235.db2.gz GDRNOIYZUZYTMM-RHZZDRBOSA-N 0 0 316.376 2.960 20 50 DFGDRN CCN(CCC1CC1)C(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C ZINC000490876480 267063015 /nfs/dbraw/zinc/06/30/15/267063015.db2.gz KHMOWJKRGDCSPD-SXGWCWSVSA-N 0 0 310.401 2.761 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N1CCC[C@H]1COc1ccccc1 ZINC000491174126 267078643 /nfs/dbraw/zinc/07/86/43/267078643.db2.gz GHDGHPMFJPGOMA-ZSMUJPCHSA-N 0 0 300.358 2.500 20 50 DFGDRN CCO/C=C(/C#N)C(=O)NC[C@H]1CCCC[C@H]1C(F)(F)F ZINC000491138275 267089890 /nfs/dbraw/zinc/08/98/90/267089890.db2.gz YUBCLOIGVDQRCW-UPZHYSAYSA-N 0 0 304.312 2.915 20 50 DFGDRN CCO/C=C(/C#N)C(=O)NCc1ccccc1N(C)C(C)C ZINC000491135953 267091223 /nfs/dbraw/zinc/09/12/23/267091223.db2.gz UYYNLSCGTVOQCC-QINSGFPZSA-N 0 0 301.390 2.591 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@@H](COC)c1cccc(Cl)c1 ZINC000491082495 267094644 /nfs/dbraw/zinc/09/46/44/267094644.db2.gz IYPRJUXZFONJGC-UQTJOTSZSA-N 0 0 308.765 2.588 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000490979622 267096761 /nfs/dbraw/zinc/09/67/61/267096761.db2.gz YTNDCLHFEWGQQS-IRARJVLVSA-N 0 0 300.358 2.501 20 50 DFGDRN CCO/C=C(/C#N)C(=O)Nc1ccc(F)cc1-c1cnn(C)c1 ZINC000490665034 267101313 /nfs/dbraw/zinc/10/13/13/267101313.db2.gz XLTLDHKKPJIYIQ-KHPPLWFESA-N 0 0 314.320 2.609 20 50 DFGDRN CCO/C=C(/C#N)C(=O)Nc1cn(C)nc1C1CCCCC1 ZINC000491045586 267102645 /nfs/dbraw/zinc/10/26/45/267102645.db2.gz FMWDGEXIUUHMJQ-QBFSEMIESA-N 0 0 302.378 2.850 20 50 DFGDRN CCO/C=C(/C#N)C(=O)Nc1nc2cc(F)ccc2n1CC ZINC000490846622 267103852 /nfs/dbraw/zinc/10/38/52/267103852.db2.gz VNNBHABEPQPCJH-KTKRTIGZSA-N 0 0 302.309 2.578 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@H]1C[C@H](c2cccc(OC)c2)C1 ZINC000490979621 267106583 /nfs/dbraw/zinc/10/65/83/267106583.db2.gz YTNDCLHFEWGQQS-HZKMWHHGSA-N 0 0 300.358 2.501 20 50 DFGDRN CCO/C=C(\C#N)C(=O)Nc1ccc2nc(OC)sc2c1 ZINC000490936777 267109945 /nfs/dbraw/zinc/10/99/45/267109945.db2.gz BTWHRRTWKJGXIG-CMDGGOBGSA-N 0 0 303.343 2.687 20 50 DFGDRN CCO/C=C(\C#N)C(=O)Nc1ccccc1N[C@@H](C)COC ZINC000491162165 267111170 /nfs/dbraw/zinc/11/11/70/267111170.db2.gz QVFXEWXKIUMBDR-OWRWYXLESA-N 0 0 303.362 2.516 20 50 DFGDRN CCOC[C@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1 ZINC000491045616 267141644 /nfs/dbraw/zinc/14/16/44/267141644.db2.gz FOLGEFCAWDPMDH-BMANGOCTSA-N 0 0 314.385 2.574 20 50 DFGDRN CCOC[C@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1 ZINC000490848088 267142612 /nfs/dbraw/zinc/14/26/12/267142612.db2.gz ZEZGVTINLXEKML-AHSSXEFNSA-N 0 0 302.349 2.618 20 50 DFGDRN CCON(C)C(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C ZINC000490908135 267145308 /nfs/dbraw/zinc/14/53/08/267145308.db2.gz JNTPKVOERLRZIP-BPKVKKHESA-N 0 0 319.405 2.629 20 50 DFGDRN CCO[C@H](CCNC(=O)/C(C#N)=C/c1ccc(O)cc1)C(C)C ZINC000491101628 267155423 /nfs/dbraw/zinc/15/54/23/267155423.db2.gz FRZBWHXPDPXTEG-GSPCDJLXSA-N 0 0 316.401 2.867 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](CC)[C@H](O)CC)cc1 ZINC000491013773 267158549 /nfs/dbraw/zinc/15/85/49/267158549.db2.gz VDXLWJIQXUSOFH-ZJCQAOIJSA-N 0 0 316.401 2.658 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NC2=NC[C@H](C)S2)cc1 ZINC000491052718 267160414 /nfs/dbraw/zinc/16/04/14/267160414.db2.gz WNYMUUJVVIKKOL-ZWSXMNCCSA-N 0 0 315.398 2.600 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2C[C@@H](OCC)C2)cc1 ZINC000491158257 267163133 /nfs/dbraw/zinc/16/31/33/267163133.db2.gz DNDSKNLRZFJKMV-UZIOJYQASA-N 0 0 314.385 2.676 20 50 DFGDRN CC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccc(OC)cc1 ZINC000490977259 267189592 /nfs/dbraw/zinc/18/95/92/267189592.db2.gz SUISFOVVCHBSGW-BAPRJRNISA-N 0 0 324.384 2.603 20 50 DFGDRN CC[C@@H]1CCCC[C@@H]1CNC(=O)/C(C#N)=C\c1cnn(C)c1 ZINC000491173666 267201147 /nfs/dbraw/zinc/20/11/47/267201147.db2.gz DSHSRUHWSWRPDG-JVPZLNSYSA-N 0 0 300.406 2.660 20 50 DFGDRN C[C@H]1CN=C(N2CCN(/C(=C/C#N)c3ccccc3)CC2)S1 ZINC000175791299 267241623 /nfs/dbraw/zinc/24/16/23/267241623.db2.gz UHQHNRSWENKNBK-WBNYAZSOSA-N 0 0 312.442 2.660 20 50 DFGDRN CCc1ccc(C=CC(=O)NNc2cc(C#N)cc(Cl)n2)o1 ZINC000492585351 267248180 /nfs/dbraw/zinc/24/81/80/267248180.db2.gz CZMXVCDVWQQUFE-WAYWQWQTSA-N 0 0 316.748 2.919 20 50 DFGDRN CCn1ccnc1/C=C/C(=O)NNc1ccc(C#N)c(Cl)c1 ZINC000492424351 267255099 /nfs/dbraw/zinc/25/50/99/267255099.db2.gz JXHXPWWOEDUULL-AATRIKPKSA-N 0 0 315.764 2.585 20 50 DFGDRN Cc1c(/C=C(\C#N)C(=O)NCC(C)(C)C(C)C)cc(C#N)n1C ZINC000189289777 267269300 /nfs/dbraw/zinc/26/93/00/267269300.db2.gz NSUBQWCFAHKCJH-VIZOYTHASA-N 0 0 312.417 2.911 20 50 DFGDRN Cc1c(/C=C(\C#N)C(=O)N[C@H]2CC23CCCCC3)cc(C#N)n1C ZINC000181305078 267272323 /nfs/dbraw/zinc/27/23/23/267272323.db2.gz QPRCHBLKHHTXNY-BXUGYJKXSA-N 0 0 322.412 2.951 20 50 DFGDRN CN(Cc1ccc(C#N)cc1)C(=O)/C(C#N)=C/c1ccc(O)cc1 ZINC000490878382 267311461 /nfs/dbraw/zinc/31/14/61/267311461.db2.gz OBXCYXVFQAIEQC-LICLKQGHSA-N 0 0 317.348 2.829 20 50 DFGDRN Cc1cc(C)n(Cc2cccc(C(=O)N3CC=C(C#N)CC3)c2)n1 ZINC000271153254 267321944 /nfs/dbraw/zinc/32/19/44/267321944.db2.gz VAGYCSHUAWKJKA-UHFFFAOYSA-N 0 0 320.396 2.844 20 50 DFGDRN CN(OCc1ccccc1)C(=O)/C(C#N)=C/c1ccc(O)cc1 ZINC000491129225 267325873 /nfs/dbraw/zinc/32/58/73/267325873.db2.gz GGINIIIPCQQMIH-LFIBNONCSA-N 0 0 308.337 2.889 20 50 DFGDRN Cc1cc(F)ccc1N1CCC[C@@H](N2CC=C(C#N)CC2)C1=O ZINC000378543094 267331940 /nfs/dbraw/zinc/33/19/40/267331940.db2.gz VWAYFYXTIJWKNA-QGZVFWFLSA-N 0 0 313.376 2.785 20 50 DFGDRN CNC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1 ZINC000490943082 267345850 /nfs/dbraw/zinc/34/58/50/267345850.db2.gz QLUQJRJTFDZFJI-NTEUORMPSA-N 0 0 323.327 2.731 20 50 DFGDRN Cc1ccc(/C=C(\C#N)C(=O)NC2CC2)c(Br)c1 ZINC000178864053 267370623 /nfs/dbraw/zinc/37/06/23/267370623.db2.gz JUCZLACZXGAIHR-YRNVUSSQSA-N 0 0 305.175 2.943 20 50 DFGDRN Cc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1Br ZINC000179773269 267370907 /nfs/dbraw/zinc/37/09/07/267370907.db2.gz REBAZLRDFPSPLE-IZZDOVSWSA-N 0 0 305.175 2.943 20 50 DFGDRN COC(=O)c1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cn1C ZINC000491174481 267398927 /nfs/dbraw/zinc/39/89/27/267398927.db2.gz HMOXGYVBDGGTTR-RIYZIHGNSA-N 0 0 323.352 2.666 20 50 DFGDRN COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)nc2)cc1OC ZINC000490873708 267635349 /nfs/dbraw/zinc/63/53/49/267635349.db2.gz DVXABSWNYXAFTG-ZSOIEALJSA-N 0 0 323.352 2.953 20 50 DFGDRN C[C@@H](CCNC(=O)/C(C#N)=C/c1cnn(C)c1)CC(C)(C)C ZINC000491173198 267686772 /nfs/dbraw/zinc/68/67/72/267686772.db2.gz BNYOWXMRIBKCPN-LIOBOASVSA-N 0 0 302.422 2.906 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C(C)(C)C)n1 ZINC000180254613 267776726 /nfs/dbraw/zinc/77/67/26/267776726.db2.gz GABMQKMFUXNTOS-XYOKQWHBSA-N 0 0 312.373 2.534 20 50 DFGDRN N#C/C=C(\c1ccccc1)N1CCC[C@H](n2cc([N+](=O)[O-])cn2)C1 ZINC000369011479 267920354 /nfs/dbraw/zinc/92/03/54/267920354.db2.gz RKJQNCQLICWVCT-IWAJPKQASA-N 0 0 323.356 2.993 20 50 DFGDRN Cc1cc(C[C@H](C)NC(=O)C(C#N)=Cc2ccc(F)cc2)[nH]n1 ZINC000490843249 268001490 /nfs/dbraw/zinc/00/14/90/268001490.db2.gz NODQXMXALUINCB-LUHPIMIVSA-N 0 0 312.348 2.512 20 50 DFGDRN Cc1cc(N(C)C)cc(C)c1NC(=O)/C(C#N)=C\c1cnn(C)c1 ZINC000491081562 268005180 /nfs/dbraw/zinc/00/51/80/268005180.db2.gz GWWXFAFHWLRGKF-NVNXTCNLSA-N 0 0 323.400 2.649 20 50 DFGDRN Cc1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2F)cn1 ZINC000490695322 268023111 /nfs/dbraw/zinc/02/31/11/268023111.db2.gz MTVHIXMFUHOJTF-MKMNVTDBSA-N 0 0 313.307 2.892 20 50 DFGDRN Cc1ccc([C@@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C2CC2)cc1 ZINC000491085989 268044123 /nfs/dbraw/zinc/04/41/23/268044123.db2.gz SPZURCAPUZXGJX-JIARHERNSA-N 0 0 320.396 2.903 20 50 DFGDRN Cc1ccc2nc(/C=C(\C#N)C(=O)NCc3ccccc3)cn2c1 ZINC000490936040 268047349 /nfs/dbraw/zinc/04/73/49/268047349.db2.gz AAPYMHQNWBNEBI-CXUHLZMHSA-N 0 0 316.364 2.866 20 50 DFGDRN Cc1nc(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)cs1 ZINC000490842097 268075517 /nfs/dbraw/zinc/07/55/17/268075517.db2.gz KIYVCAUTRZPGEF-JYRVWZFOSA-N 0 0 315.373 2.857 20 50 DFGDRN Cc1ncccc1/C=C(/C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000490699294 268088811 /nfs/dbraw/zinc/08/88/11/268088811.db2.gz SUDFEYFDLITWRN-ZSOIEALJSA-N 0 0 313.307 2.892 20 50 DFGDRN Cc1ncccc1/C=C\C(=O)NNc1oc(C(C)C)nc1C#N ZINC000492983598 268089016 /nfs/dbraw/zinc/08/90/16/268089016.db2.gz HTVHMGAXUPLFQT-SREVYHEPSA-N 0 0 311.345 2.530 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N2CC3(CCC3)[C@@H]2c2ccco2)cn1 ZINC000491105262 268120646 /nfs/dbraw/zinc/12/06/46/268120646.db2.gz PWAROOHGXOTXPN-SBNBMVPLSA-N 0 0 322.368 2.674 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2C2CCCCC2)cn1 ZINC000491083419 268120959 /nfs/dbraw/zinc/12/09/59/268120959.db2.gz LKEBDVFKKFQGGT-BRVCPTFNSA-N 0 0 312.417 2.898 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H](C(C)(C)C)C2)cn1 ZINC000491052723 268121149 /nfs/dbraw/zinc/12/11/49/268121149.db2.gz WOFNZIXCMDVYSF-UJMHRVFCSA-N 0 0 300.406 2.612 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CCCSC1 ZINC000490977039 268137623 /nfs/dbraw/zinc/13/76/23/268137623.db2.gz SFOGVDPBUOKQGV-HRYODUOUSA-N 0 0 304.390 2.992 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc2c1OCO2 ZINC000490874673 268138301 /nfs/dbraw/zinc/13/83/01/268138301.db2.gz HAXYDLPYUDLOBF-ZSOIEALJSA-N 0 0 324.311 2.778 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NNc1ccc(C#N)cc1 ZINC000490847357 268138469 /nfs/dbraw/zinc/13/84/69/268138469.db2.gz XIEKVVGUXUFFJP-ZROIWOOFSA-N 0 0 306.300 2.748 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1Cc2ccccc2O1 ZINC000490968076 268138544 /nfs/dbraw/zinc/13/85/44/268138544.db2.gz AXBBWGGCXIENCN-BAPRJRNISA-N 0 0 322.339 2.853 20 50 DFGDRN N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1nnc(C(F)F)s1 ZINC000491014638 268142994 /nfs/dbraw/zinc/14/29/94/268142994.db2.gz YBRXOWPRDXPLQH-YVMONPNESA-N 0 0 322.296 2.727 20 50 DFGDRN N#CC(=Cc1ccccc1OCC1CC1)C(=O)Nc1ccncc1 ZINC000490811888 268143841 /nfs/dbraw/zinc/14/38/41/268143841.db2.gz HXTAAYPFHWGABV-WJDWOHSUSA-N 0 0 319.364 2.838 20 50 DFGDRN N#C/C(=C/c1cccc(O)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000490693655 268143852 /nfs/dbraw/zinc/14/38/52/268143852.db2.gz JLYHLJAEVCNFDZ-ZSOIEALJSA-N 0 0 323.308 2.524 20 50 DFGDRN N#C/C(=C/c1ncc(C(F)(F)F)s1)C(=O)N1CCCC1 ZINC000491101802 268145685 /nfs/dbraw/zinc/14/56/85/268145685.db2.gz GAYOJHQINSPBDK-YVMONPNESA-N 0 0 301.293 2.691 20 50 DFGDRN N#C/C(=C\c1cc(F)ncc1F)C(=O)NCCc1ccccc1 ZINC000490968932 268146161 /nfs/dbraw/zinc/14/61/61/268146161.db2.gz CVXAXVAOASWSEO-RIYZIHGNSA-N 0 0 313.307 2.626 20 50 DFGDRN N#C/C(=C\c1ccc(-n2cccn2)cc1)C(=O)Nc1nccs1 ZINC000490563769 268146332 /nfs/dbraw/zinc/14/63/32/268146332.db2.gz VAXMJWXIQQPDNH-JLHYYAGUSA-N 0 0 321.365 2.874 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC[C@@]2(CCOC2)C1 ZINC000491010818 268147340 /nfs/dbraw/zinc/14/73/40/268147340.db2.gz NFPVEJMQEWRQCJ-SPQRHKFCSA-N 0 0 314.360 2.762 20 50 DFGDRN N#Cc1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1Cl ZINC000182887382 268148301 /nfs/dbraw/zinc/14/83/01/268148301.db2.gz WUERFAMWNQRODP-UHFFFAOYSA-N 0 0 320.780 2.945 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)NCC[C@H](O)c1ccccc1 ZINC000490839770 268148587 /nfs/dbraw/zinc/14/85/87/268148587.db2.gz FAXIILUOSXVZNQ-QIPRVMPFSA-N 0 0 324.355 2.973 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)NCCc1cccc(O)c1 ZINC000490848036 268148631 /nfs/dbraw/zinc/14/86/31/268148631.db2.gz YVXWTDPWHRVMDE-XNTDXEJSSA-N 0 0 310.328 2.797 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000490848268 268149234 /nfs/dbraw/zinc/14/92/34/268149234.db2.gz ZWEHOPAZTDYJGQ-QWXUZBRKSA-N 0 0 322.339 2.507 20 50 DFGDRN N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000490975417 268155221 /nfs/dbraw/zinc/15/52/21/268155221.db2.gz PFIRWYZRIVCVMQ-ZKTNYTPDSA-N 0 0 318.376 2.973 20 50 DFGDRN N#CC(=Cc1cccc(Cl)c1F)C(=O)Nc1ccncc1 ZINC000490813491 268155937 /nfs/dbraw/zinc/15/59/37/268155937.db2.gz PTYMADKXJADMFO-DHZHZOJOSA-N 0 0 301.708 2.842 20 50 DFGDRN N#Cc1ccc(NNC(=O)C[C@@H]2OCCc3ccsc32)cc1 ZINC000362791718 268158574 /nfs/dbraw/zinc/15/85/74/268158574.db2.gz IOXFVAFNWNIBQV-AWEZNQCLSA-N 0 0 313.382 2.767 20 50 DFGDRN N#Cc1ccc(NNC(=O)C[C@H]2OCCc3ccccc32)cc1 ZINC000155609762 268158713 /nfs/dbraw/zinc/15/87/13/268158713.db2.gz HMIFYCGVKWHEEC-QGZVFWFLSA-N 0 0 307.353 2.705 20 50 DFGDRN N#Cc1ccc(NNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 ZINC000366625729 268160023 /nfs/dbraw/zinc/16/00/23/268160023.db2.gz HDMKKQUEYFSODF-HNNXBMFYSA-N 0 0 313.744 2.658 20 50 DFGDRN N#Cc1cccc(/C=C\C(=O)NNC(=O)OCc2ccccc2)c1 ZINC000493500316 268269910 /nfs/dbraw/zinc/26/99/10/268269910.db2.gz SHSHCIQFYLIMDJ-KTKRTIGZSA-N 0 0 321.336 2.529 20 50 DFGDRN N#Cc1cccc(OCCCCC(=O)N2CC=C(C#N)CC2)c1 ZINC000271174515 268271211 /nfs/dbraw/zinc/27/12/11/268271211.db2.gz XVSPWFAMNRRPEM-UHFFFAOYSA-N 0 0 309.369 2.790 20 50 DFGDRN C=CCN(CCOC)C(=O)/C(C#N)=C\c1ccc(OCC)cc1 ZINC000491104204 269559643 /nfs/dbraw/zinc/55/96/43/269559643.db2.gz 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Cn1cc(/C=C(/C#N)C(=O)NC2(c3ccccc3)CCCC2)cn1 ZINC000491157897 268118414 /nfs/dbraw/zinc/11/84/14/268118414.db2.gz BFYMIMVAXAPVMK-WJDWOHSUSA-N 0 0 320.396 2.913 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)NC[C@H]2CCCCC(F)(F)C2)cn1 ZINC000490971344 268119888 /nfs/dbraw/zinc/11/98/88/268119888.db2.gz IUYTYVPXYZOHPZ-JVXNRYDGSA-N 0 0 322.359 2.659 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N(CC2CC2)C2CCCCC2)cn1 ZINC000491133431 268120364 /nfs/dbraw/zinc/12/03/64/268120364.db2.gz PJDXFVLVOJZTFS-CXUHLZMHSA-N 0 0 312.417 2.898 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NCCOCC1CCC1 ZINC000491008467 268137662 /nfs/dbraw/zinc/13/76/62/268137662.db2.gz IGIOGBDEKRILPO-GDNBJRDFSA-N 0 0 302.349 2.666 20 50 DFGDRN N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000490908768 268141469 /nfs/dbraw/zinc/14/14/69/268141469.db2.gz LLYODTURPMOYQK-QBOMHBFWSA-N 0 0 322.368 2.776 20 50 DFGDRN N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000490908870 268141624 /nfs/dbraw/zinc/14/16/24/268141624.db2.gz 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ZINC000821612382 606183052 /nfs/dbraw/zinc/18/30/52/606183052.db2.gz SYNVRRRANQYFOB-YVLHZVERSA-N 0 0 316.368 2.863 20 50 DFGDRN CCC[C@H](C)C(CC)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000821015423 606239389 /nfs/dbraw/zinc/23/93/89/606239389.db2.gz PXHUQDGWNZKFCG-NSHDSACASA-N 0 0 314.393 2.799 20 50 DFGDRN O=C(NNC(=O)c1cc(F)c(F)cc1Cl)NC1CCCC1 ZINC000065920996 398351034 /nfs/dbraw/zinc/35/10/34/398351034.db2.gz IPBAYXWQANDFAP-UHFFFAOYSA-N 0 0 317.723 2.505 20 50 DFGDRN O=C(CCc1ccc(Cl)s1)NNC(=O)NC1CCCC1 ZINC000065919378 398351199 /nfs/dbraw/zinc/35/11/99/398351199.db2.gz BFJVLDRBDRSYHK-UHFFFAOYSA-N 0 0 315.826 2.607 20 50 DFGDRN Cc1nc(-c2ccccc2)ccc1C(=O)NNC(=O)CC(C)C ZINC000010161113 398376530 /nfs/dbraw/zinc/37/65/30/398376530.db2.gz LGCGVJLRXZBLSC-UHFFFAOYSA-N 0 0 311.385 2.864 20 50 DFGDRN COc1ccccc1C(C)(C)C(=O)NNC(=O)CCC(C)C ZINC000066572571 398385111 /nfs/dbraw/zinc/38/51/11/398385111.db2.gz IHPJEKSWHMOUJQ-UHFFFAOYSA-N 0 0 306.406 2.556 20 50 DFGDRN CCC[C@H]1C[C@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000083235806 398386014 /nfs/dbraw/zinc/38/60/14/398386014.db2.gz LQMCIXZXUMBBKJ-QPUJVOFHSA-N 0 0 313.760 2.612 20 50 DFGDRN CCc1ccc(C(=O)NNC(=O)CCc2ccsc2)cc1 ZINC000021896192 398414621 /nfs/dbraw/zinc/41/46/21/398414621.db2.gz QVMKOTFKMXNINI-UHFFFAOYSA-N 0 0 302.399 2.704 20 50 DFGDRN CCOC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000068717271 398521989 /nfs/dbraw/zinc/52/19/89/398521989.db2.gz ODNWNBGGHMEKSO-DTWKUNHWSA-N 0 0 317.172 2.874 20 50 DFGDRN O=C(CCCc1ccccc1)NNC(=O)NCC1CCCC1 ZINC000069223611 398557669 /nfs/dbraw/zinc/55/76/69/398557669.db2.gz OSLGPRIIZBNIJM-UHFFFAOYSA-N 0 0 303.406 2.530 20 50 DFGDRN CCCOc1ccc(CNC(=O)NNC(=O)OC(C)(C)C)cc1 ZINC000045881046 398687848 /nfs/dbraw/zinc/68/78/48/398687848.db2.gz KICOWZOHPRMUTL-UHFFFAOYSA-N 0 0 323.393 2.714 20 50 DFGDRN CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)Cc1ccccn1 ZINC000074566644 398754212 /nfs/dbraw/zinc/75/42/12/398754212.db2.gz SSXNVDGZOMAKKU-HNNXBMFYSA-N 0 0 317.433 2.768 20 50 DFGDRN CCOC(=O)NNC(=O)CCSc1ccccc1Cl ZINC000048090033 398772827 /nfs/dbraw/zinc/77/28/27/398772827.db2.gz UURXEWZRXYMLPR-UHFFFAOYSA-N 0 0 302.783 2.600 20 50 DFGDRN CCOC(=O)NNC(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1 ZINC000048317587 398780716 /nfs/dbraw/zinc/78/07/16/398780716.db2.gz QSQKNDQVWVZQNO-ZETCQYMHSA-N 0 0 321.160 2.538 20 50 DFGDRN Cc1cccc(C2(C(=O)NNC(=O)c3ccccc3C)CC2)c1 ZINC000052997900 398858919 /nfs/dbraw/zinc/85/89/19/398858919.db2.gz ZZUPKORTWUYWOG-UHFFFAOYSA-N 0 0 308.381 2.796 20 50 DFGDRN CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)C(C)(C)C ZINC000077220011 398889733 /nfs/dbraw/zinc/88/97/33/398889733.db2.gz ALEIKGULQJLXDQ-GFCCVEGCSA-N 0 0 306.406 2.772 20 50 DFGDRN CCCNC(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCCCO2 ZINC000078262804 398944935 /nfs/dbraw/zinc/94/49/35/398944935.db2.gz CXAWZZVROXNSDI-KPKJPENVSA-N 0 0 320.776 2.934 20 50 DFGDRN COC(=O)NNC(=O)CCCc1ccc(Cl)c(Cl)c1 ZINC000158884621 398960820 /nfs/dbraw/zinc/96/08/20/398960820.db2.gz VPLKOBGVRIYTGH-UHFFFAOYSA-N 0 0 305.161 2.703 20 50 DFGDRN Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNC(=O)OC(C)(C)C ZINC000056841794 398994966 /nfs/dbraw/zinc/99/49/66/398994966.db2.gz VYWVMVGBELQREY-ZDUSSCGKSA-N 0 0 305.378 2.721 20 50 DFGDRN C[C@@H]1C[C@H]1c1ccc(CNC(=O)NNC(=O)OC(C)(C)C)o1 ZINC000079636757 399069770 /nfs/dbraw/zinc/06/97/70/399069770.db2.gz ATBJLTFTZQTBQR-MWLCHTKSSA-N 0 0 309.366 2.642 20 50 DFGDRN CN(CC[C@@H]1CCCO1)C(=O)/C(C#N)=C/c1ccc(F)cc1 ZINC000490689129 269689382 /nfs/dbraw/zinc/68/93/82/269689382.db2.gz ADHZNHXOPRRJSO-UKYUDJEDSA-N 0 0 302.349 2.760 20 50 DFGDRN CNC(=O)/C(C#N)=C\c1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000491048973 269695274 /nfs/dbraw/zinc/69/52/74/269695274.db2.gz MDOJJGDLNDKUAB-WDZFZDKYSA-N 0 0 320.274 2.544 20 50 DFGDRN COC(=O)C[C@@H](NC=C(C#N)C#N)c1ccc(SC)cc1 ZINC000076839152 269701294 /nfs/dbraw/zinc/70/12/94/269701294.db2.gz PAAQXCKSSZRFFR-CQSZACIVSA-N 0 0 301.371 2.533 20 50 DFGDRN COCCCNC(=O)/C(C#N)=C/c1csc2ccccc12 ZINC000192539210 269730711 /nfs/dbraw/zinc/73/07/11/269730711.db2.gz 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303.318 2.556 20 50 DFGDRN CCO/C=C(/C#N)C(=O)Nc1ncc(-c2ccccn2)s1 ZINC000491053215 267103720 /nfs/dbraw/zinc/10/37/20/267103720.db2.gz XVBKGOSLDADTPG-KTKRTIGZSA-N 0 0 300.343 2.588 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@@H]1C[C@H]1c1cccc(OCC)c1 ZINC000490814614 267107974 /nfs/dbraw/zinc/10/79/74/267107974.db2.gz WESUIPDUHGXQHB-UBHMTTAUSA-N 0 0 300.358 2.501 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@H]1CCCc2c(F)cc(F)cc21 ZINC000491128678 267108868 /nfs/dbraw/zinc/10/88/68/267108868.db2.gz DTRCBXAQHRGUOF-FEAKQIBJSA-N 0 0 306.312 2.902 20 50 DFGDRN CCO/C=C(\C#N)C(=O)Nc1ccc(Nc2ncccn2)cc1 ZINC000491082223 267109996 /nfs/dbraw/zinc/10/99/96/267109996.db2.gz IFNGQCVYLXOTFR-VAWYXSNFSA-N 0 0 309.329 2.603 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccon2)cc1 ZINC000490814276 267158653 /nfs/dbraw/zinc/15/86/53/267158653.db2.gz UHDNIFIDJHKUSF-XTCQQWIJSA-N 0 0 311.341 2.858 20 50 DFGDRN CC[C@@H](c1ccncc1)N(CC)C(=O)/C(C#N)=C\c1cnn(C)c1 ZINC000491050088 267200001 /nfs/dbraw/zinc/20/00/01/267200001.db2.gz OOYKULUKYFNNCG-RNIVLKNTSA-N 0 0 323.400 2.722 20 50 DFGDRN CC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CCOCC1 ZINC000491132104 267215427 /nfs/dbraw/zinc/21/54/27/267215427.db2.gz MOCFVPJRUABMBC-JMPLCFMRSA-N 0 0 314.385 2.621 20 50 DFGDRN CC[C@H](Cc1ccccc1)N(C)C(=O)/C(C#N)=C/c1cnn(C)c1 ZINC000491174317 267215645 /nfs/dbraw/zinc/21/56/45/267215645.db2.gz HDSVTVBSJRSBIP-WAFWZSCLSA-N 0 0 322.412 2.807 20 50 DFGDRN CC[C@H](c1ccncc1)N(CC)C(=O)/C(C#N)=C\c1cnn(C)c1 ZINC000491050087 267226397 /nfs/dbraw/zinc/22/63/97/267226397.db2.gz OOYKULUKYFNNCG-LPPOOGIUSA-N 0 0 323.400 2.722 20 50 DFGDRN CCn1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)cn1 ZINC000490693404 267250629 /nfs/dbraw/zinc/25/06/29/267250629.db2.gz IUAKJNLSEGOEBZ-LWLPBDFMSA-N 0 0 324.384 2.696 20 50 DFGDRN C[C@]1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CCCC[C@H]1O ZINC000183448985 267259922 /nfs/dbraw/zinc/25/99/22/267259922.db2.gz RNUNLWAORFELEE-JBQASTCHSA-N 0 0 316.376 2.790 20 50 DFGDRN CCn1nnc(C)c1/C=C(\C#N)C(=O)Nc1c(C)cccc1C ZINC000491159043 267264774 /nfs/dbraw/zinc/26/47/74/267264774.db2.gz HEXSJGHDISWICB-NTEUORMPSA-N 0 0 309.373 2.769 20 50 DFGDRN CN(C(=O)/C(C#N)=C\c1cnn(C)c1)C1CCC(C)(C)CC1 ZINC000491157819 267268695 /nfs/dbraw/zinc/26/86/95/267268695.db2.gz ARMBDRWRCXZJOO-ZROIWOOFSA-N 0 0 300.406 2.754 20 50 DFGDRN Cc1c(/C=C(\C#N)C(=O)NCCC2CCCC2)cc(C#N)n1C ZINC000192454888 267269497 /nfs/dbraw/zinc/26/94/97/267269497.db2.gz QSEWVPCJRSHAJY-CXUHLZMHSA-N 0 0 310.401 2.809 20 50 DFGDRN CN(C)c1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)ccn1 ZINC000490839856 267292990 /nfs/dbraw/zinc/29/29/90/267292990.db2.gz FJHFIJCNPMVYBI-UKTHLTGXSA-N 0 0 310.332 2.832 20 50 DFGDRN Cc1cc([C@H]2CCCN2C(=O)/C(C#N)=C\c2ccc(O)cc2)no1 ZINC000365503145 267363490 /nfs/dbraw/zinc/36/34/90/267363490.db2.gz DOVFYAHHQRXIIV-OOXMNIKJSA-N 0 0 323.352 2.959 20 50 DFGDRN Cc1cc([N+](=O)[O-])ccc1/C=C(\C#N)C(=O)[C@H]1CCCOC1 ZINC000281188041 267365347 /nfs/dbraw/zinc/36/53/47/267365347.db2.gz RBFVKBHABSIDBD-JGWKKKPCSA-N 0 0 300.314 2.806 20 50 DFGDRN Cc1cc2c(cc1C)[C@H](C(=O)NNc1ccc(C#N)cc1)CO2 ZINC000186213547 267365419 /nfs/dbraw/zinc/36/54/19/267365419.db2.gz HEHVIKNXZGLWPA-MRXNPFEDSA-N 0 0 307.353 2.794 20 50 DFGDRN Cc1ccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000280882108 267370488 /nfs/dbraw/zinc/37/04/88/267370488.db2.gz DMFPONSKZXOPRR-PFLCFFIHSA-N 0 0 300.314 2.806 20 50 DFGDRN COC(=O)c1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c[nH]1 ZINC000490725198 267397792 /nfs/dbraw/zinc/39/77/92/267397792.db2.gz FAFTYARWZRIDHJ-VGOFMYFVSA-N 0 0 323.352 2.964 20 50 DFGDRN COC(=O)c1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c[nH]1 ZINC000490726237 267397855 /nfs/dbraw/zinc/39/78/55/267397855.db2.gz OTXBSADMIMXEHT-PWDRSIHYSA-N 0 0 323.352 2.586 20 50 DFGDRN COC(=O)c1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cn1C ZINC000491174482 267398519 /nfs/dbraw/zinc/39/85/19/267398519.db2.gz HMOXGYVBDGGTTR-ZSOIEALJSA-N 0 0 323.352 2.666 20 50 DFGDRN COCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CC[C@H]2C)c1C ZINC000490945087 267475801 /nfs/dbraw/zinc/47/58/01/267475801.db2.gz ZTGHSVYDEFUGAZ-XGVBJGJYSA-N 0 0 315.417 2.573 20 50 DFGDRN COCc1cnc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)s1 ZINC000490810908 267513200 /nfs/dbraw/zinc/51/32/00/267513200.db2.gz CKZRMRCZTOUYGL-UXBLZVDNSA-N 0 0 317.345 2.974 20 50 DFGDRN COc1ccc(NC(=O)/C(C#N)=C/c2nc(C#N)cs2)cc1 ZINC000491104850 267634585 /nfs/dbraw/zinc/63/45/85/267634585.db2.gz OWRNYSOFUKVLSR-UXBLZVDNSA-N 0 0 310.338 2.569 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1COc2ccccc21 ZINC000182488599 267891213 /nfs/dbraw/zinc/89/12/13/267891213.db2.gz REKDXIOAEVTFSN-WQMJKPAKSA-N 0 0 308.312 2.983 20 50 DFGDRN Cc1c(/C=C(\C#N)C(=O)N2CC(C)(C)C[C@@H]2C)cc(C#N)n1C ZINC000491108546 267941641 /nfs/dbraw/zinc/94/16/41/267941641.db2.gz YCYOKXPMGYFZON-FCGPPKDQSA-N 0 0 310.401 2.759 20 50 DFGDRN Cc1ccc(C)c(CN(C)C(=O)/C(C#N)=C/c2cnn(C)c2)c1 ZINC000491080242 268032727 /nfs/dbraw/zinc/03/27/27/268032727.db2.gz CNNYKLGPBDNSGK-LZYBPNLTSA-N 0 0 308.385 2.603 20 50 DFGDRN Cc1ccc([C@H](NC(=O)/C(C#N)=C/c2cnn(C)c2)C2CC2)cc1 ZINC000491085987 268046241 /nfs/dbraw/zinc/04/62/41/268046241.db2.gz SPZURCAPUZXGJX-GONKEYIRSA-N 0 0 320.396 2.903 20 50 DFGDRN Cc1ccc([C@H]2CCN(C(=O)/C(C#N)=C/c3cnn(C)c3)C2)cc1 ZINC000491128377 268046249 /nfs/dbraw/zinc/04/62/49/268046249.db2.gz DHJYUFSPYRPNPC-WENWWWKYSA-N 0 0 320.396 2.652 20 50 DFGDRN Cc1ccc2nc(/C=C(\C#N)C(=O)Nc3nccs3)cn2c1 ZINC000491161676 268047764 /nfs/dbraw/zinc/04/77/64/268047764.db2.gz PFHALFOSZIEWLW-IZZDOVSWSA-N 0 0 309.354 2.645 20 50 DFGDRN Cc1cccc(CN(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)n1 ZINC000491162525 268052233 /nfs/dbraw/zinc/05/22/33/268052233.db2.gz RXTHURSCRJBQQD-GDNBJRDFSA-N 0 0 307.353 2.661 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@H]2C2CCCCC2)cn1 ZINC000491083423 268116475 /nfs/dbraw/zinc/11/64/75/268116475.db2.gz LKEBDVFKKFQGGT-RNIVLKNTSA-N 0 0 312.417 2.898 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)N2CC[C@@](C)(c3ccccc3)C2)cn1 ZINC000491109140 268117405 /nfs/dbraw/zinc/11/74/05/268117405.db2.gz ZKPHHDKZVUPLMA-NXIIHZOPSA-N 0 0 320.396 2.517 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H](c3ccccc3)C2)cn1 ZINC000491084612 268121202 /nfs/dbraw/zinc/12/12/02/268121202.db2.gz OHRVQEQUOAFJFA-DKFVHQPUSA-N 0 0 320.396 2.733 20 50 DFGDRN N#Cc1ccc(N2CC[C@@H](C(=O)NNc3ccccc3)C2)c(F)c1 ZINC000376219286 268122441 /nfs/dbraw/zinc/12/24/41/268122441.db2.gz FBPBBCLLGASPNN-CQSZACIVSA-N 0 0 324.359 2.667 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)NCCCCCc2ccccc2)cn1 ZINC000490968297 268123603 /nfs/dbraw/zinc/12/36/03/268123603.db2.gz BMVBVNKAUJRLSV-LDADJPATSA-N 0 0 322.412 2.856 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CC12CCOCC2 ZINC000491087894 268137776 /nfs/dbraw/zinc/13/77/76/268137776.db2.gz YBQUMODUAOAUQR-KQGZCTBQSA-N 0 0 314.360 2.666 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1cnc2n1CCCC2 ZINC000490941194 268138484 /nfs/dbraw/zinc/13/84/84/268138484.db2.gz KKYIGBOPDKMIBX-ZROIWOOFSA-N 0 0 324.359 2.582 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CSCCS1 ZINC000490843167 268138554 /nfs/dbraw/zinc/13/85/54/268138554.db2.gz NIDKUSTYSCDEMA-VDBIKXPHSA-N 0 0 322.430 2.697 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1Cc2cccc(O)c2C1 ZINC000491163879 268139152 /nfs/dbraw/zinc/13/91/52/268139152.db2.gz YRFPCQOIPGDUSB-VCHSTOLQSA-N 0 0 322.339 2.722 20 50 DFGDRN N#C/C(=C/c1ccc(O)cc1)C(=O)N(Cc1cccnc1)C1CC1 ZINC000490909968 268140597 /nfs/dbraw/zinc/14/05/97/268140597.db2.gz PGYDZHJHUIDTTR-YBEGLDIGSA-N 0 0 319.364 2.885 20 50 DFGDRN N#C/C(=C/c1nccn1-c1ccccc1)C(=O)Nc1nccs1 ZINC000491176927 268145834 /nfs/dbraw/zinc/14/58/34/268145834.db2.gz SOPDLXQSZLWHIT-BENRWUELSA-N 0 0 321.365 2.874 20 50 DFGDRN N#C/C(=C\c1ccc(C#N)cc1F)C(=O)NCc1ccccc1 ZINC000490752221 268146154 /nfs/dbraw/zinc/14/61/54/268146154.db2.gz AXAIZTVZUOOJEG-CXUHLZMHSA-N 0 0 305.312 2.921 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)NCCC[C@@H]1CCOC1 ZINC000490968903 268148024 /nfs/dbraw/zinc/14/80/24/268148024.db2.gz CQYZEKHDUDTPCE-MFYHJKBNSA-N 0 0 302.349 2.666 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(NC(N)=O)c1 ZINC000490839159 268149646 /nfs/dbraw/zinc/14/96/46/268149646.db2.gz CKKWHWGRFGMTDL-XYOKQWHBSA-N 0 0 324.315 2.862 20 50 DFGDRN N#C/C(=C\c1ccc(O)cc1)C(=O)NCC1Cc2ccccc2C1 ZINC000491158544 268153167 /nfs/dbraw/zinc/15/31/67/268153167.db2.gz FRFSIVYXGLFENE-GIJQJNRQSA-N 0 0 318.376 2.830 20 50 DFGDRN N#C/C(=C\c1ccc(O)cc1)C(=O)NC[C@H]1CCCC1(F)F ZINC000491082857 268153429 /nfs/dbraw/zinc/15/34/29/268153429.db2.gz KGXPBAPKOMTNRZ-YQCJOKCJSA-N 0 0 306.312 2.851 20 50 DFGDRN N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1COc2ccc(F)cc21 ZINC000491010741 268154491 /nfs/dbraw/zinc/15/44/91/268154491.db2.gz MWYGZUHQAPCSAP-MZTACXPWSA-N 0 0 324.311 2.688 20 50 DFGDRN N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000490943519 268155574 /nfs/dbraw/zinc/15/55/74/268155574.db2.gz RXZCFPASXTUFNZ-VGOFMYFVSA-N 0 0 320.352 2.680 20 50 DFGDRN N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)NCc1ccccc1 ZINC000490878624 268155640 /nfs/dbraw/zinc/15/56/40/268155640.db2.gz PDRRIMWNYUEZAU-XYOKQWHBSA-N 0 0 313.338 2.880 20 50 DFGDRN N#C/C(=C\c1cccc(O)c1)C(=O)NCc1ccc(F)c(F)c1 ZINC000490664942 268155899 /nfs/dbraw/zinc/15/58/99/268155899.db2.gz WJDZXFVMDAQLPF-AWNIVKPZSA-N 0 0 314.291 2.894 20 50 DFGDRN N#Cc1ccc(NNC(=O)[C@H]2C[C@]23CCc2ccccc23)cc1 ZINC000178936222 268161684 /nfs/dbraw/zinc/16/16/84/268161684.db2.gz CPVZEGDGLRTHQR-MJGOQNOKSA-N 0 0 303.365 2.905 20 50 DFGDRN C=CCNC(=O)/C(C#N)=C\c1c(Cl)nc2cc(Cl)ccn21 ZINC000490944005 269561354 /nfs/dbraw/zinc/56/13/54/269561354.db2.gz UTZCQRYJMCJKAX-TWGQIWQCSA-N 0 0 321.167 2.850 20 50 DFGDRN CC(C)c1cnc(NC(=O)/C(C#N)=C\c2cnn(C)c2)s1 ZINC000491103692 269635218 /nfs/dbraw/zinc/63/52/18/269635218.db2.gz LOBPDFCBVMIBPH-WCIBSUBMSA-N 0 0 301.375 2.546 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@@H]2CF)cc1 ZINC000491157969 269672644 /nfs/dbraw/zinc/67/26/44/269672644.db2.gz BQAWYSHTYQBEFT-BAAYTWLHSA-N 0 0 302.349 2.953 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)NCC(C)(C)OCC)cc1 ZINC000490908747 269672895 /nfs/dbraw/zinc/67/28/95/269672895.db2.gz LGWZMMGAPUTPPH-PTNGSMBKSA-N 0 0 316.401 2.924 20 50 DFGDRN Cc1ccsc1C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)o1 ZINC000822379523 599379378 /nfs/dbraw/zinc/37/93/78/599379378.db2.gz PBXUUXMPXGUTMS-TWGQIWQCSA-N 0 0 311.326 2.620 20 50 DFGDRN CC[C@H]1CCCC(=NNC(=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736394814 599192882 /nfs/dbraw/zinc/19/28/82/599192882.db2.gz GETVCWMSFSETHT-NSHDSACASA-N 0 0 312.377 2.553 20 50 DFGDRN CC(C)(C)CCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824087287 607342417 /nfs/dbraw/zinc/34/24/17/607342417.db2.gz SKTADCFNGVQMES-UHFFFAOYSA-N 0 0 302.382 2.526 20 50 DFGDRN C[C@@H]1CCCC[C@@H]1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824937532 607348035 /nfs/dbraw/zinc/34/80/35/607348035.db2.gz PVOWRUMHPAPTRA-DGCLKSJQSA-N 0 0 314.393 2.526 20 50 DFGDRN C[C@H]1CCCC[C@@H]1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824937533 607347797 /nfs/dbraw/zinc/34/77/97/607347797.db2.gz PVOWRUMHPAPTRA-WCQYABFASA-N 0 0 314.393 2.526 20 50 DFGDRN C[C@@H](CC(=O)NNc1ccc(-c2nn[nH]n2)cc1)CC(C)(C)C ZINC000824385443 607349825 /nfs/dbraw/zinc/34/98/25/607349825.db2.gz TWKKIOWHBVAMMO-NSHDSACASA-N 0 0 316.409 2.772 20 50 DFGDRN CCCCCC[C@@H](C)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825272183 607713822 /nfs/dbraw/zinc/71/38/22/607713822.db2.gz YIKOFQDTBUMRRC-GFCCVEGCSA-N 0 0 316.409 2.916 20 50 DFGDRN CC[C@@H](C(=O)NNc1cccc(-c2nn[nH]n2)c1)c1ccccc1 ZINC000825039365 607724111 /nfs/dbraw/zinc/72/41/11/607724111.db2.gz QGGFWKAMYWTKPB-OAHLLOKOSA-N 0 0 322.372 2.504 20 50 DFGDRN CC(CCCC(C)C)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000820241180 606988753 /nfs/dbraw/zinc/98/87/53/606988753.db2.gz GGUAGRRUXSYGGJ-UHFFFAOYSA-N 0 0 314.393 2.799 20 50 DFGDRN CCCC(CCC)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825242439 607807108 /nfs/dbraw/zinc/80/71/08/607807108.db2.gz RCWBLLNWYHBUBA-UHFFFAOYSA-N 0 0 302.382 2.526 20 50 DFGDRN N#CC(=Cc1ccccc1-c1nn[nH]n1)c1nc2ccccc2[nH]1 ZINC000826379407 607883596 /nfs/dbraw/zinc/88/35/96/607883596.db2.gz QUUMFKMJQNZIJK-FMIVXFBMSA-N 0 0 313.324 2.807 20 50 DFGDRN N#CC(=Cc1ccc(F)cc1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826378824 608215247 /nfs/dbraw/zinc/21/52/47/608215247.db2.gz BERPQZFHZSMEMV-ZSOIEALJSA-N 0 0 319.299 2.796 20 50 DFGDRN CC1=CCC[C@H](C)[C@H]1C=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000824852287 608288961 /nfs/dbraw/zinc/28/89/61/608288961.db2.gz JMEWSYPIKUFKGQ-WFASDCNBSA-N 0 0 324.388 2.575 20 50 DFGDRN C[C@@H]1CCC[C@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1F ZINC000083216386 398385381 /nfs/dbraw/zinc/38/53/81/398385381.db2.gz GDHIMXOMQPMYSP-PRHODGIISA-N 0 0 313.760 2.612 20 50 DFGDRN CC(C)CCC(=O)NNC(=O)N(C)C[C@@H](C)c1ccccc1 ZINC000067103908 398417377 /nfs/dbraw/zinc/41/73/77/398417377.db2.gz BUCLVYXPOLFZCI-CQSZACIVSA-N 0 0 305.422 2.899 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)NCCc2ccc[nH]2)cc1 ZINC000089349389 398449017 /nfs/dbraw/zinc/44/90/17/398449017.db2.gz YRAQJPVPVHIFRK-QINSGFPZSA-N 0 0 309.369 2.679 20 50 DFGDRN C[C@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccncc2)cc1 ZINC000091540096 398534425 /nfs/dbraw/zinc/53/44/25/398534425.db2.gz VRIPXGNYHSHFSD-NWFCWYBLSA-N 0 0 318.336 2.918 20 50 DFGDRN CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCSc2ccccc21 ZINC000043166721 398615345 /nfs/dbraw/zinc/61/53/45/398615345.db2.gz PYZJHCILAZITOY-LLVKDONJSA-N 0 0 323.418 2.962 20 50 DFGDRN O=C(NCC1CCCCC1)NNC(=O)c1c[nH]c2ccccc12 ZINC000072486737 398615785 /nfs/dbraw/zinc/61/57/85/398615785.db2.gz CMSLYAZTZGMDQA-UHFFFAOYSA-N 0 0 314.389 2.692 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)NC[C@](C)(O)C(C)C)cc1 ZINC000075252736 398793673 /nfs/dbraw/zinc/79/36/73/398793673.db2.gz MWVAWXGCCQBWJG-BXBOZWQASA-N 0 0 316.401 2.515 20 50 DFGDRN CCCCNC(=O)/C(C#N)=C/c1cccc(OCCOC)c1 ZINC000053103418 398862879 /nfs/dbraw/zinc/86/28/79/398862879.db2.gz IUWQJZFILZWBEQ-RVDMUPIBSA-N 0 0 302.374 2.535 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nncs2)c1C ZINC000054194721 398892567 /nfs/dbraw/zinc/89/25/67/398892567.db2.gz ANJVMWWBSDWZBH-NTUHNPAUSA-N 0 0 315.402 2.912 20 50 DFGDRN N#C/C(=C\c1cccc2c1OCCCO2)C(=O)NCc1ccco1 ZINC000055037310 398917132 /nfs/dbraw/zinc/91/71/32/398917132.db2.gz NXQVEXCPAIDDLD-GXDHUFHOSA-N 0 0 324.336 2.664 20 50 DFGDRN CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CCOC)c1C ZINC000055929060 398948899 /nfs/dbraw/zinc/94/88/99/398948899.db2.gz JFLCRGQWDTVFDG-ATVHPVEESA-N 0 0 317.433 2.917 20 50 DFGDRN C[C@H](Oc1ccccc1F)C(=O)NNC(=O)C=C1CCCCC1 ZINC000055978148 398951457 /nfs/dbraw/zinc/95/14/57/398951457.db2.gz IFNXWHAKKOSMQK-LBPRGKRZSA-N 0 0 320.364 2.631 20 50 DFGDRN Cc1c(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cnn1C ZINC000158698698 398959335 /nfs/dbraw/zinc/95/93/35/398959335.db2.gz PLRBMPYHXPOHRT-XFFZJAGNSA-N 0 0 300.749 2.928 20 50 DFGDRN CCOC(=O)NNC(=O)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000057427612 399043015 /nfs/dbraw/zinc/04/30/15/399043015.db2.gz PIQNOBBUYQUPOP-SECBINFHSA-N 0 0 318.295 2.976 20 50 DFGDRN COc1cccc(NC(=O)/C(C#N)=C/c2cccc3c2OCO3)c1 ZINC000059269529 399109599 /nfs/dbraw/zinc/10/95/99/399109599.db2.gz KWCUDUBNGZQIGP-MDWZMJQESA-N 0 0 322.320 2.970 20 50 DFGDRN CC(C)(C)CC(=O)N1CCC(=NNC(=O)OC(C)(C)C)CC1 ZINC000060418164 399130104 /nfs/dbraw/zinc/13/01/04/399130104.db2.gz MAYRITCMQLHAKJ-UHFFFAOYSA-N 0 0 311.426 2.926 20 50 DFGDRN O=C(C=Cc1ccc(Cl)cc1)NNc1nc2ccccn2n1 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Cn1cc(/C=C(\C#N)C(=O)Nc2cccc3c2CCCC3)cn1 ZINC000491082831 269934258 /nfs/dbraw/zinc/93/42/58/269934258.db2.gz KEIMHAPBDFAGIF-OQLLNIDSSA-N 0 0 306.369 2.845 20 50 DFGDRN N#C/C(=C/c1ccc(O)cc1)C(=O)NC1Cc2ccccc2C1 ZINC000491052662 269939663 /nfs/dbraw/zinc/93/96/63/269939663.db2.gz WDTSNGYDRUPBMN-SXGWCWSVSA-N 0 0 304.349 2.583 20 50 DFGDRN N#CC(=Cc1ccc(F)cc1)C(=O)NCC(=O)c1cccs1 ZINC000491106263 269938306 /nfs/dbraw/zinc/93/83/06/269938306.db2.gz RVNUVCVBMYGXJG-WQLSENKSSA-N 0 0 314.341 2.793 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NCC1(CF)CCOCC1 ZINC000491080451 269938359 /nfs/dbraw/zinc/93/83/59/269938359.db2.gz DINZLURNNMJJGL-ZROIWOOFSA-N 0 0 320.339 2.615 20 50 DFGDRN N#C/C(=C\c1cncs1)C(=O)NCc1ccc(F)cc1F ZINC000490693422 269943498 /nfs/dbraw/zinc/94/34/98/269943498.db2.gz IUQPJOVOEOWRPD-XCVCLJGOSA-N 0 0 305.309 2.645 20 50 DFGDRN CCCCn1nc(C)c(/C=C(\C#N)C(=O)NC2CC2)c1Cl ZINC000016439164 263977459 /nfs/dbraw/zinc/97/74/59/263977459.db2.gz QPOXPCCYQKLMIF-DHZHZOJOSA-N 0 0 306.797 2.831 20 50 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/nfs/dbraw/zinc/60/76/36/266607636.db2.gz RSVKDVVUIQPVHJ-NTEUORMPSA-N 0 0 302.374 2.773 20 50 DFGDRN C=CCCCCCNC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C ZINC000491174746 266814240 /nfs/dbraw/zinc/81/42/40/266814240.db2.gz ISHFAMLWZCOEJN-YBEGLDIGSA-N 0 0 310.401 2.975 20 50 DFGDRN C=CCNC(=O)/C(C#N)=C/c1ccc(OC)cc1OC(F)F ZINC000490636998 266824431 /nfs/dbraw/zinc/82/44/31/266824431.db2.gz DVHUGSOSNVYSBZ-YRNVUSSQSA-N 0 0 308.284 2.506 20 50 DFGDRN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](CNC=C(C#N)C#N)C1 ZINC000496480126 266868514 /nfs/dbraw/zinc/86/85/14/266868514.db2.gz JQTDHCQOVLEAFY-TZMCWYRMSA-N 0 0 304.394 2.591 20 50 DFGDRN CC(C)(C)c1csc(NC(=O)/C(C#N)=C/c2cocn2)n1 ZINC000491131977 266877298 /nfs/dbraw/zinc/87/72/98/266877298.db2.gz MEKUNYAUFADRCP-RUDMXATFSA-N 0 0 302.359 2.974 20 50 DFGDRN CC(C)[C@H](CNC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccccc1 ZINC000491108508 266952764 /nfs/dbraw/zinc/95/27/64/266952764.db2.gz YAZQTGISNMCVJE-XUKORKDYSA-N 0 0 322.412 2.883 20 50 DFGDRN CCCCCCNC(=O)/C(C#N)=C\c1nn(C)c(C)c1Cl ZINC000491175086 267001037 /nfs/dbraw/zinc/00/10/37/267001037.db2.gz JOGINZRMSAXPFL-XFXZXTDPSA-N 0 0 308.813 2.985 20 50 DFGDRN CCCCCNC(=O)/C(C#N)=C\c1cnnn1Cc1ccccc1 ZINC000491107323 267002627 /nfs/dbraw/zinc/00/26/27/267002627.db2.gz UYDZLLACOXLTRS-WJDWOHSUSA-N 0 0 323.400 2.540 20 50 DFGDRN CCCCNC(=O)/C(C#N)=C/c1cccc(O)c1Br ZINC000491088494 267007633 /nfs/dbraw/zinc/00/76/33/267007633.db2.gz ZSDTVQRCCRFYCV-DHZHZOJOSA-N 0 0 323.190 2.978 20 50 DFGDRN CCCc1nc(C)c(NC(=O)/C(C#N)=C/c2cnn(C)c2)s1 ZINC000491011686 267043472 /nfs/dbraw/zinc/04/34/72/267043472.db2.gz PQOQGAJOUUMCFG-WUXMJOGZSA-N 0 0 315.402 2.683 20 50 DFGDRN CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C[C@H](C)OC)c1C ZINC000490944991 267044001 /nfs/dbraw/zinc/04/40/01/267044001.db2.gz YYYKPLIZKWLEFW-XGHPXPSOSA-N 0 0 317.433 2.915 20 50 DFGDRN CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC(C)(C#N)C2)c1C ZINC000491163742 267044510 /nfs/dbraw/zinc/04/45/10/267044510.db2.gz XZBGDZKLDKMLNS-PXNMLYILSA-N 0 0 310.401 2.794 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N1CCC[C@@H]1c1nc2ccccc2n1C ZINC000490782538 267077693 /nfs/dbraw/zinc/07/76/93/267077693.db2.gz JWOUCTPSKQDHLC-BFFYNSAMSA-N 0 0 324.384 2.681 20 50 DFGDRN C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)N2CC=C(C#N)CC2)cc1 ZINC000271108140 267083759 /nfs/dbraw/zinc/08/37/59/267083759.db2.gz LUNWUEZBJKYKEC-WBMJQRKESA-N 0 0 309.369 2.577 20 50 DFGDRN CCO/C=C(/C#N)C(=O)NCCc1cccc(Br)c1 ZINC000491160285 267087962 /nfs/dbraw/zinc/08/79/62/267087962.db2.gz KSRCVDXWMWYQOO-BENRWUELSA-N 0 0 323.190 2.552 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000490844578 267095494 /nfs/dbraw/zinc/09/54/94/267095494.db2.gz QXYLSSXHFLOQKA-DARDTNQBSA-N 0 0 318.348 2.606 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000490975389 267098996 /nfs/dbraw/zinc/09/89/96/267098996.db2.gz OZWCGMQIOXCRPO-BWFAQCLASA-N 0 0 322.311 2.704 20 50 DFGDRN C[C@@H]1OCC[C@]12CN(/C(=C/C#N)c1ccc(F)cc1)CCO2 ZINC000280383127 267100089 /nfs/dbraw/zinc/10/00/89/267100089.db2.gz JZXGQDCKMBCQNU-TWNJAJLDSA-N 0 0 302.349 2.570 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N1CCCCc2ccc(OC)cc21 ZINC000491107200 267104567 /nfs/dbraw/zinc/10/45/67/267104567.db2.gz UMWGJFGXCVZGEZ-WYMLVPIESA-N 0 0 300.358 2.808 20 50 DFGDRN CCO/C=C(\C#N)C(=O)Nc1cnn(CC(C)C)c1C(F)F ZINC000490940199 267111236 /nfs/dbraw/zinc/11/12/36/267111236.db2.gz IHJJIPBLGXDITM-CSKARUKUSA-N 0 0 312.320 2.859 20 50 DFGDRN C[C@@](O)(CNC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccccc1 ZINC000182992757 267115170 /nfs/dbraw/zinc/11/51/70/267115170.db2.gz XQBRREGWGDLSDC-ILCZHQDMSA-N 0 0 324.355 2.757 20 50 DFGDRN C[C@H](C(=O)N1CC=C(C#N)CC1)[C@H]1OCCc2sccc21 ZINC000294528051 267124750 /nfs/dbraw/zinc/12/47/50/267124750.db2.gz KNHCNEZBAMHHJU-XHDPSFHLSA-N 0 0 302.399 2.680 20 50 DFGDRN C[C@H](CC(=O)c1ccco1)NC(=O)C(C#N)=Cc1ccc(O)cc1 ZINC000185840809 267148032 /nfs/dbraw/zinc/14/80/32/267148032.db2.gz BJLQGONLHYHSMF-XTCQQWIJSA-N 0 0 324.336 2.670 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@](C)(O)C(C)C)cc1 ZINC000490663992 267161698 /nfs/dbraw/zinc/16/16/98/267161698.db2.gz MWVAWXGCCQBWJG-SPQRHKFCSA-N 0 0 316.401 2.515 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NC[C@]2(C)CCOC2)cc1 ZINC000490663519 267161936 /nfs/dbraw/zinc/16/19/36/267161936.db2.gz JZUVRLJZNOYMQQ-KAPURRDVSA-N 0 0 314.385 2.535 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCOC[C@H]2C)cc1 ZINC000491175476 267163055 /nfs/dbraw/zinc/16/30/55/267163055.db2.gz LBYUTROXAZKYQM-WYRKQZDXSA-N 0 0 314.385 2.533 20 50 DFGDRN CCOc1ccc(NNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 ZINC000491174669 267170626 /nfs/dbraw/zinc/17/06/26/267170626.db2.gz IJCMJCBJSGBQCQ-SDNWHVSQSA-N 0 0 323.352 2.841 20 50 DFGDRN CCS[C@@H]1CCC[C@@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C1 ZINC000491080914 267181476 /nfs/dbraw/zinc/18/14/76/267181476.db2.gz FSMPRAGNGHNIGJ-KWLXYHDNSA-N 0 0 318.446 2.508 20 50 DFGDRN CC[C@@H]1CCCC[C@H]1CNC(=O)/C(C#N)=C\c1cnn(C)c1 ZINC000491173665 267201027 /nfs/dbraw/zinc/20/10/27/267201027.db2.gz DSHSRUHWSWRPDG-INIBHJJNSA-N 0 0 300.406 2.660 20 50 DFGDRN CC[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)[C@H](O)C(C)C ZINC000491128697 267216638 /nfs/dbraw/zinc/21/66/38/267216638.db2.gz DWTAGPQPBJILLY-KTDOTMJKSA-N 0 0 304.365 2.644 20 50 DFGDRN CCn1cccc1/C=C(/C#N)C(=O)NCCc1ccc(OC)cc1 ZINC000490968618 267255854 /nfs/dbraw/zinc/25/58/54/267255854.db2.gz BYDLHTPWSGWAQJ-SSZFMOIBSA-N 0 0 323.396 2.782 20 50 DFGDRN CN(C(=O)/C(C#N)=C/c1cnn(C)c1)C1C2CC3CC(C2)CC1C3 ZINC000491080397 267267667 /nfs/dbraw/zinc/26/76/67/267267667.db2.gz DCZGNBHJJYBBRJ-CAOOACKPSA-N 0 0 324.428 2.610 20 50 DFGDRN Cc1c(/C=C(\C#N)C(=O)Nc2ccn(C(C)C)n2)cc(C#N)n1C ZINC000281911755 267273871 /nfs/dbraw/zinc/27/38/71/267273871.db2.gz UWFHLPAXLGPUIP-VGOFMYFVSA-N 0 0 322.372 2.528 20 50 DFGDRN COCCCNC(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F ZINC000490841037 267443971 /nfs/dbraw/zinc/44/39/71/267443971.db2.gz HTOFTHJTUMVKNG-FFLRBMORSA-N 0 0 306.312 2.581 20 50 DFGDRN Cc1cnc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)s1 ZINC000192487381 267534173 /nfs/dbraw/zinc/53/41/73/267534173.db2.gz UHOHVQCSNALYRJ-UUILKARUSA-N 0 0 311.370 2.516 20 50 DFGDRN COc1c(O)cccc1/C=C(/C#N)C(=O)NCc1ccccc1 ZINC000490562952 267555981 /nfs/dbraw/zinc/55/59/81/267555981.db2.gz FNHFFHFPXXPVQV-GDNBJRDFSA-N 0 0 308.337 2.624 20 50 DFGDRN COc1ccccc1NC(=O)/C(C#N)=C\c1cc(F)ncc1F ZINC000490942376 267661498 /nfs/dbraw/zinc/66/14/98/267661498.db2.gz NZDMSDSTAUYSEA-WDZFZDKYSA-N 0 0 315.279 2.914 20 50 DFGDRN C[C@H](NC(=O)/C(C#N)=C/c1cnn(C)c1)[C@@H]1CCC[C@@H](C)C1 ZINC000491177906 267837508 /nfs/dbraw/zinc/83/75/08/267837508.db2.gz ZQQFVDAMCGESSC-DQSMXAQZSA-N 0 0 300.406 2.658 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@]2(C1)CCCOC2 ZINC000367498645 267885155 /nfs/dbraw/zinc/88/51/55/267885155.db2.gz VXRWCHHOLTUMJJ-KAPURRDVSA-N 0 0 314.360 2.762 20 50 DFGDRN N#C/C(=C\c1ccc(O)cc1)C(=O)NCCc1cccc(F)c1 ZINC000188077700 267901489 /nfs/dbraw/zinc/90/14/89/267901489.db2.gz UWHFETJXLGCJEN-XNTDXEJSSA-N 0 0 310.328 2.797 20 50 DFGDRN N#C/C(=C\c1cccc(O)c1)C(=O)N(CC(F)(F)F)C1CC1 ZINC000171982641 267909140 /nfs/dbraw/zinc/90/91/40/267909140.db2.gz GDEKZQCOFXQSNA-IZZDOVSWSA-N 0 0 310.275 2.852 20 50 DFGDRN N#C/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)[C@@H]1CCCOC1 ZINC000279990362 267910295 /nfs/dbraw/zinc/91/02/95/267910295.db2.gz GNZFYWRQTXFTNS-GGQLTLKSSA-N 0 0 315.760 2.890 20 50 DFGDRN N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC[C@H](n2cccn2)C1 ZINC000365879230 267915853 /nfs/dbraw/zinc/91/58/53/267915853.db2.gz FZLDGRKHGRUUHK-PDEJURLFSA-N 0 0 323.356 2.993 20 50 DFGDRN N#CC1=CCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)CC1 ZINC000272669598 267935179 /nfs/dbraw/zinc/93/51/79/267935179.db2.gz KHCPBSATOUOVQS-ZDUSSCGKSA-N 0 0 302.761 2.573 20 50 DFGDRN Cc1ccc(/C=C\C(=O)NNc2oc(C(C)C)nc2C#N)o1 ZINC000491884764 268024591 /nfs/dbraw/zinc/02/45/91/268024591.db2.gz NNLVFLHOKMJOJX-SREVYHEPSA-N 0 0 300.318 2.728 20 50 DFGDRN Cc1ccc(OCCNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1 ZINC000491103293 268041900 /nfs/dbraw/zinc/04/19/00/268041900.db2.gz KTGGTSCKBBJGNG-FOWTUZBSSA-N 0 0 322.364 2.803 20 50 DFGDRN Cc1ccc([C@H](NC(=O)/C(C#N)=C\c2cnn(C)c2)C2CC2)cc1 ZINC000491085991 268046028 /nfs/dbraw/zinc/04/60/28/268046028.db2.gz SPZURCAPUZXGJX-XUKORKDYSA-N 0 0 320.396 2.903 20 50 DFGDRN Cc1cccc([C@@H](C)NC(=O)/C(C#N)=C/c2cnn(C)c2)c1C ZINC000491045902 268056252 /nfs/dbraw/zinc/05/62/52/268056252.db2.gz FXBSYVKWAGWSEB-UVYNJXETSA-N 0 0 308.385 2.821 20 50 DFGDRN Cc1ccncc1CN(C)C(=O)/C(C#N)=C/c1ccc(O)cc1 ZINC000490689523 268065296 /nfs/dbraw/zinc/06/52/96/268065296.db2.gz ATWJDBKHVWLMSJ-OQLLNIDSSA-N 0 0 307.353 2.661 20 50 DFGDRN Cc1nc(C)c(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)s1 ZINC000491108205 268074881 /nfs/dbraw/zinc/07/48/81/268074881.db2.gz XNVSBJDNQMQDPH-NTUHNPAUSA-N 0 0 313.382 2.689 20 50 DFGDRN Cc1nc(F)ccc1/C=C(\C#N)C(=O)NCCc1ccccc1 ZINC000491085882 268077879 /nfs/dbraw/zinc/07/78/79/268077879.db2.gz RZEUNJVIHWFVAL-LFIBNONCSA-N 0 0 309.344 2.795 20 50 DFGDRN Cc1noc(C)c1/C=C(\C#N)C(=O)NCc1ccc(F)c(F)c1 ZINC000490662944 268096237 /nfs/dbraw/zinc/09/62/37/268096237.db2.gz FTJRQYVRXIJADA-WUXMJOGZSA-N 0 0 317.295 2.793 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2c2ccsc2)cn1 ZINC000491047075 268116425 /nfs/dbraw/zinc/11/64/25/268116425.db2.gz ICTCRNLBLJLURE-XIEDVDOYSA-N 0 0 312.398 2.752 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)NCC(C)(C)C2CCCC2)cn1 ZINC000491013108 268118053 /nfs/dbraw/zinc/11/80/53/268118053.db2.gz SXWHETHTMLCYDI-ZSOIEALJSA-N 0 0 300.406 2.660 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)NC[C@@H]2CCCc3ccccc32)cn1 ZINC000491084515 268119881 /nfs/dbraw/zinc/11/98/81/268119881.db2.gz ODHGSYBWHLRHAM-SLHXSTLSSA-N 0 0 320.396 2.563 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2c2cccs2)cn1 ZINC000490979030 268121377 /nfs/dbraw/zinc/12/13/77/268121377.db2.gz XIAQPKIMBHWYBO-MAUPQMMJSA-N 0 0 312.398 2.752 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1CCCn2ccnc21 ZINC000490844460 268137666 /nfs/dbraw/zinc/13/76/66/268137666.db2.gz QJAAPAKAPQZCLX-QTNMRXCUSA-N 0 0 324.359 2.623 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1COc2ccccc2C1 ZINC000490815038 268139426 /nfs/dbraw/zinc/13/94/26/268139426.db2.gz YJXZDXGDIVDZLI-BAPRJRNISA-N 0 0 322.339 2.853 20 50 DFGDRN N#C/C(=C/c1ccc2c(c1)OCCCCO2)C(=O)N1CCCC1 ZINC000490978104 268143135 /nfs/dbraw/zinc/14/31/35/268143135.db2.gz VGHFBLSTXIGLGA-PTNGSMBKSA-N 0 0 312.369 2.767 20 50 DFGDRN N#C/C(=C/c1cnn(CCCl)c1)C(=O)Nc1ccccc1F ZINC000490637375 268144767 /nfs/dbraw/zinc/14/47/67/268144767.db2.gz HABLBJNYOIHIFE-GHXNOFRVSA-N 0 0 318.739 2.807 20 50 DFGDRN N#C/C(=C/c1cnn(CC(F)F)c1)C(=O)Nc1ccccc1 ZINC000491087379 268144832 /nfs/dbraw/zinc/14/48/32/268144832.db2.gz XCNZNYPIZZIRGI-SDQBBNPISA-N 0 0 302.284 2.694 20 50 DFGDRN N#C/C(=C/c1cnc(-c2ccccn2)s1)C(=O)N1CCCC1 ZINC000490726509 268144885 /nfs/dbraw/zinc/14/48/85/268144885.db2.gz RRKCAKVFSPAMOE-XFXZXTDPSA-N 0 0 310.382 2.734 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)NCC1(CCO)CCCC1 ZINC000490844512 268147903 /nfs/dbraw/zinc/14/79/03/268147903.db2.gz QPJNVXVHAFVFTM-RVDMUPIBSA-N 0 0 316.376 2.792 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCCCC[C@H]1O ZINC000491108428 268149560 /nfs/dbraw/zinc/14/95/60/268149560.db2.gz XTWSJILIIGWOTH-ROCUKZSVSA-N 0 0 302.349 2.542 20 50 DFGDRN N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](C#N)c1ccc(F)cc1 ZINC000491045696 268154760 /nfs/dbraw/zinc/15/47/60/268154760.db2.gz FRGUEPJLRWNBRZ-RKCSUWQLSA-N 0 0 321.311 2.819 20 50 DFGDRN N#Cc1ccc(NNC(=O)C2C[C@H]3CC[C@@H](C2)C3=O)cc1Cl ZINC000368266549 268157991 /nfs/dbraw/zinc/15/79/91/268157991.db2.gz WZQCMOKPVYZIGI-DHHPTOIESA-N 0 0 317.776 2.660 20 50 DFGDRN N#Cc1ccc(NNC(=O)c2ccc3nc4n(c3c2)CCC4)cc1 ZINC000370909498 268162155 /nfs/dbraw/zinc/16/21/55/268162155.db2.gz RZIKYGPFSPMSEH-UHFFFAOYSA-N 0 0 317.352 2.611 20 50 DFGDRN CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C)OC)c1C ZINC000490663645 269649741 /nfs/dbraw/zinc/64/97/41/269649741.db2.gz KUCPPYQKOMSDEX-AYCSXLNKSA-N 0 0 317.433 2.963 20 50 DFGDRN O=C(NN=Cc1ccccn1)c1ccccc1Br ZINC000254301433 427218837 /nfs/dbraw/zinc/21/88/37/427218837.db2.gz LKZOSXONTQMDJJ-UHFFFAOYSA-N 0 0 304.147 2.608 20 50 DFGDRN C[C@H]1CCCC[C@H]1CC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000824937530 607347817 /nfs/dbraw/zinc/34/78/17/607347817.db2.gz PVOWRUMHPAPTRA-AAEUAGOBSA-N 0 0 314.393 2.526 20 50 DFGDRN CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821007668 607459536 /nfs/dbraw/zinc/45/95/36/607459536.db2.gz CDNYQBHGDOGXIG-QVASGMJFSA-N 0 0 313.336 2.918 20 50 DFGDRN N#CC(=Cc1cc(-c2nn[nH]n2)cs1)C(=O)c1ccccc1 ZINC000822796697 606302918 /nfs/dbraw/zinc/30/29/18/606302918.db2.gz WFWGEXJAJRPFOT-WDZFZDKYSA-N 0 0 307.338 2.718 20 50 DFGDRN CCC[C@@H](C)C(=O)C(C#N)=Cc1cc(-c2nn[nH]n2)cs1 ZINC000821008301 606306846 /nfs/dbraw/zinc/30/68/46/606306846.db2.gz IUIYMUKDOJSVOP-RAJVOEEQSA-N 0 0 301.375 2.840 20 50 DFGDRN CC(C)=CCCC(C)=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000820005871 606433399 /nfs/dbraw/zinc/43/33/99/606433399.db2.gz YKEIGYMNCZDXGF-UHFFFAOYSA-N 0 0 312.377 2.719 20 50 DFGDRN Cc1ccccc1C=C(C#N)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826306633 608216311 /nfs/dbraw/zinc/21/63/11/608216311.db2.gz GKLGJSXDUNRANA-CXUHLZMHSA-N 0 0 315.336 2.965 20 50 DFGDRN Cc1cccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)c1 ZINC000826297450 608216431 /nfs/dbraw/zinc/21/64/31/608216431.db2.gz IADKTUWKWOZMCF-SXGWCWSVSA-N 0 0 315.336 2.965 20 50 DFGDRN Cc1ccc(C=C(C#N)C(=O)c2cccc(-c3nn[nH]n3)c2)cc1 ZINC000826286228 608216771 /nfs/dbraw/zinc/21/67/71/608216771.db2.gz WBKRFIQYGPAHPW-SXGWCWSVSA-N 0 0 315.336 2.965 20 50 DFGDRN N#CC(=Cc1cccs1)C(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826379077 608217274 /nfs/dbraw/zinc/21/72/74/608217274.db2.gz IOJKGXYYAGTNKZ-WQLSENKSSA-N 0 0 307.338 2.718 20 50 DFGDRN CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000824853047 608289938 /nfs/dbraw/zinc/28/99/38/608289938.db2.gz VTOSFZMBSNIPNN-SWLSCSKDSA-N 0 0 324.388 2.575 20 50 DFGDRN Cc1cccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c1C ZINC000826299496 608802158 /nfs/dbraw/zinc/80/21/58/608802158.db2.gz HQACLPRRUBANOO-UHFFFAOYSA-N 0 0 323.360 2.632 20 50 DFGDRN CC[C@@H](NC(=O)NNC(=O)c1c[nH]c2ccccc12)C(C)C ZINC000066365681 398371504 /nfs/dbraw/zinc/37/15/04/398371504.db2.gz RUIMHKCDOHLVTJ-CYBMUJFWSA-N 0 0 302.378 2.547 20 50 DFGDRN COCCOc1ccccc1/C=C(/C#N)C(=O)NC1CCCC1 ZINC000083022633 398381384 /nfs/dbraw/zinc/38/13/84/398381384.db2.gz VWHDVBAOORBDBT-QINSGFPZSA-N 0 0 314.385 2.678 20 50 DFGDRN CC(C)[C@@H](SCc1ccccc1)C(=O)NNC(=O)C1CC1 ZINC000066591274 398386627 /nfs/dbraw/zinc/38/66/27/398386627.db2.gz FRAQALBJWISLKZ-CQSZACIVSA-N 0 0 306.431 2.502 20 50 DFGDRN O=C(CCCSc1ccc(Cl)cc1)NNC(=O)C1CC1 ZINC000015794228 398397561 /nfs/dbraw/zinc/39/75/61/398397561.db2.gz IDOGIVZHIZFSTC-UHFFFAOYSA-N 0 0 312.822 2.770 20 50 DFGDRN Cc1cc(C(=O)NNC(=O)C2CC2)c(C)n1-c1cccc(C)c1 ZINC000015794176 398397641 /nfs/dbraw/zinc/39/76/41/398397641.db2.gz BMWVBTFWXGZQFG-UHFFFAOYSA-N 0 0 311.385 2.574 20 50 DFGDRN C=CCNC(=S)NNC(=O)c1cc2c(s1)CCCCCC2 ZINC000016318611 398399035 /nfs/dbraw/zinc/39/90/35/398399035.db2.gz IJJNMMDIFQTYHF-UHFFFAOYSA-N 0 0 323.487 2.702 20 50 DFGDRN CCOC(=O)NNC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000021772164 398414011 /nfs/dbraw/zinc/41/40/11/398414011.db2.gz SSDFQELCGSIUPU-UHFFFAOYSA-N 0 0 323.349 2.649 20 50 DFGDRN O=C(COc1ccccc1-c1ccccc1)NNC(=O)CC1CC1 ZINC000028429282 398473746 /nfs/dbraw/zinc/47/37/46/398473746.db2.gz DNVGGLQQGNLWSF-UHFFFAOYSA-N 0 0 324.380 2.680 20 50 DFGDRN Cc1cc(C)cc(C2(C(=O)NNC(=O)NC3CCCC3)CC2)c1 ZINC000068282968 398492474 /nfs/dbraw/zinc/49/24/74/398492474.db2.gz WPFPAWFOZZOTBH-UHFFFAOYSA-N 0 0 315.417 2.608 20 50 DFGDRN O=C(NNC(=O)c1cc2c(s1)CCCC2)NC1CCCC1 ZINC000031026577 398509827 /nfs/dbraw/zinc/50/98/27/398509827.db2.gz UMDZAGQPPUUKJZ-UHFFFAOYSA-N 0 0 307.419 2.514 20 50 DFGDRN CC(C)CCC(=O)NNC(=O)N[C@@H]1CCCc2ccc(F)cc21 ZINC000093123451 398621169 /nfs/dbraw/zinc/62/11/69/398621169.db2.gz IGPHUCCFYCZZIY-OAHLLOKOSA-N 0 0 321.396 2.970 20 50 DFGDRN CCC[C@@H](C)C(=O)NNC(=O)c1ccc(OC(C)C)c(OC)c1 ZINC000073552537 398686738 /nfs/dbraw/zinc/68/67/38/398686738.db2.gz IFWSAVJKECYHTC-GFCCVEGCSA-N 0 0 322.405 2.680 20 50 DFGDRN Cc1nn(CCCl)c(C)c1C(=O)Nc1cnn(CC(C)C)c1 ZINC000074151699 398727278 /nfs/dbraw/zinc/72/72/78/398727278.db2.gz BXBOTCSOCDRDFT-UHFFFAOYSA-N 0 0 323.828 2.844 20 50 DFGDRN COc1ccc(/C=C(/C#N)C(=O)NCC(C)C)cc1OC(F)F ZINC000078262944 398944982 /nfs/dbraw/zinc/94/49/82/398944982.db2.gz UZYRIDJIFHHWQF-SDQBBNPISA-N 0 0 324.327 2.976 20 50 DFGDRN CC(C)Oc1ccccc1CNC(=O)NNC(=O)OC(C)(C)C ZINC000057220227 399027077 /nfs/dbraw/zinc/02/70/77/399027077.db2.gz WAKXLPSOTBPLEY-UHFFFAOYSA-N 0 0 323.393 2.713 20 50 DFGDRN N#C/C=C(/c1ccc(F)cc1)N1CCN(CC(F)(F)F)CC1 ZINC000079315438 399033813 /nfs/dbraw/zinc/03/38/13/399033813.db2.gz RUYAZDRJDFVUSD-RZNTYIFUSA-N 0 0 313.298 2.870 20 50 DFGDRN N#CC1(C(=O)NNC(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000057381299 399036529 /nfs/dbraw/zinc/03/65/29/399036529.db2.gz HSYZSAVEWSTGKQ-UHFFFAOYSA-N 0 0 305.765 2.575 20 50 DFGDRN COC1CCC(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1 ZINC000491174502 269721276 /nfs/dbraw/zinc/72/12/76/269721276.db2.gz HPQIXXGAJSABAO-XNTDXEJSSA-N 0 0 314.385 2.621 20 50 DFGDRN COC[C@@H](C)n1c(C)cc(/C=C(/C#N)C(=O)N(C)CCF)c1C ZINC000491052947 269747253 /nfs/dbraw/zinc/74/72/53/269747253.db2.gz XJVOHZPPTJKURE-WPBJZHHJSA-N 0 0 321.396 2.647 20 50 DFGDRN COC[C@H](C)NC(=O)/C(C#N)=C/c1ccc2nc(C)sc2c1 ZINC000491045289 269750156 /nfs/dbraw/zinc/75/01/56/269750156.db2.gz DSYIOWVKEGIFMC-FYTLYHSASA-N 0 0 315.398 2.663 20 50 DFGDRN COc1ccc(CNC(=O)/C(C#N)=C/c2c(C)noc2C)cc1 ZINC000193795107 269779942 /nfs/dbraw/zinc/77/99/42/269779942.db2.gz WYHXWIFZXDGUCK-RIYZIHGNSA-N 0 0 311.341 2.523 20 50 DFGDRN COc1cnccc1[C@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1 ZINC000491133713 269799168 /nfs/dbraw/zinc/79/91/68/269799168.db2.gz PVAJDBBFBOLTBV-IGVUGNCQSA-N 0 0 323.352 2.580 20 50 DFGDRN C[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@H](C2CC2)O1 ZINC000279995231 269891509 /nfs/dbraw/zinc/89/15/09/269891509.db2.gz MBFUGNVSBRUPMQ-AUTUTTCKSA-N 0 0 314.360 2.759 20 50 DFGDRN Cc1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)ccc1C(N)=O ZINC000490876314 269915552 /nfs/dbraw/zinc/91/55/52/269915552.db2.gz JWPFTRQXQVEVHJ-UKTHLTGXSA-N 0 0 323.327 2.779 20 50 DFGDRN Cc1ncsc1CNC(=O)/C(C#N)=C/c1ccc(F)cc1 ZINC000490845995 269925570 /nfs/dbraw/zinc/92/55/70/269925570.db2.gz URFPCIFWNPWJCE-WUXMJOGZSA-N 0 0 301.346 2.814 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N[C@H](c2ccccc2)C2CC2)cn1 ZINC000491014201 269934122 /nfs/dbraw/zinc/93/41/22/269934122.db2.gz WPCZDXPXGQTFAX-JDZKTDJGSA-N 0 0 306.369 2.595 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)nn1 ZINC000490664172 269934285 /nfs/dbraw/zinc/93/42/85/269934285.db2.gz OPNXGFXLLXXTKQ-VMPITWQZSA-N 0 0 322.155 2.668 20 50 DFGDRN N#C/C(=C/c1ccc(O)cc1)C(=O)NCC1(C(F)(F)F)CC1 ZINC000490943308 269939685 /nfs/dbraw/zinc/93/96/85/269939685.db2.gz RCPRJIJHHZJSEL-XFFZJAGNSA-N 0 0 310.275 2.758 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCOCC2(CCC2)C1 ZINC000490871813 269938098 /nfs/dbraw/zinc/93/80/98/269938098.db2.gz ASOBGBUKTRSZQV-GDNBJRDFSA-N 0 0 314.360 2.762 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(NC(N)=O)c1 ZINC000181986689 269938651 /nfs/dbraw/zinc/93/86/51/269938651.db2.gz CKKWHWGRFGMTDL-WQLSENKSSA-N 0 0 324.315 2.862 20 50 DFGDRN CCOc1cc(/C=C(\C#N)C(=O)NC)ccc1OCC(C)C ZINC000007209974 263985794 /nfs/dbraw/zinc/98/57/94/263985794.db2.gz GUZHEIVHIRXRBY-RIYZIHGNSA-N 0 0 302.374 2.773 20 50 DFGDRN COCCCNC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1 ZINC000006441087 263996078 /nfs/dbraw/zinc/99/60/78/263996078.db2.gz NALXQHBDOCNXMP-XYOKQWHBSA-N 0 0 312.291 2.765 20 50 DFGDRN COc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1OC(F)F ZINC000007165495 264000295 /nfs/dbraw/zinc/00/02/95/264000295.db2.gz FXKPOOMHZCWYRB-IZZDOVSWSA-N 0 0 310.300 2.728 20 50 DFGDRN Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1Cc1ccco1 ZINC000007164155 264007321 /nfs/dbraw/zinc/00/73/21/264007321.db2.gz YCBJQBFGKMVQOC-OQLLNIDSSA-N 0 0 309.369 2.932 20 50 DFGDRN COc1ncc(C)cc1NC(=O)/C(C#N)=C/c1ccc(O)cc1 ZINC000490910698 270002374 /nfs/dbraw/zinc/00/23/74/270002374.db2.gz RQQQLFYWRHXDMN-MDWZMJQESA-N 0 0 309.325 2.650 20 50 DFGDRN CCc1cccc(Cl)c1/C=C(\C#N)C(=O)NCCCOC ZINC000490699299 270002393 /nfs/dbraw/zinc/00/23/93/270002393.db2.gz SUKLXIPITQOUBK-JLHYYAGUSA-N 0 0 306.793 2.962 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)NC[C@]2(C)CCOC2)cc1 ZINC000490663518 270002395 /nfs/dbraw/zinc/00/23/95/270002395.db2.gz JZUVRLJZNOYMQQ-BXBOZWQASA-N 0 0 314.385 2.535 20 50 DFGDRN CCC[C@@](C)(O)CNC(=O)/C(C#N)=C/c1ccc(OCC)cc1 ZINC000490665082 270002432 /nfs/dbraw/zinc/00/24/32/270002432.db2.gz YDXLTNWUEQHPSK-HAZIXKIPSA-N 0 0 316.401 2.660 20 50 DFGDRN CCC[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CCO1 ZINC000490871696 270002543 /nfs/dbraw/zinc/00/25/43/270002543.db2.gz AMDMCXQODPKBFT-HFQYIWAZSA-N 0 0 302.349 2.760 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@@H]1CCCC[C@H]1OCCC(C)C ZINC000089355024 264898299 /nfs/dbraw/zinc/89/82/99/264898299.db2.gz XOVXBVWJPMZYIK-CZZMSJKLSA-N 0 0 308.422 2.920 20 50 DFGDRN CCOC(=O)C(C#N)=CN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000090065151 264899735 /nfs/dbraw/zinc/89/97/35/264899735.db2.gz AHWSJFCTULGNKC-WONIAPNHSA-N 0 0 303.318 2.606 20 50 DFGDRN C=C(C)[C@H]1OCC[C@H]1C(=O)NNc1ccc(C#N)c(Cl)c1 ZINC000280214327 265570030 /nfs/dbraw/zinc/57/00/30/265570030.db2.gz KVTPHYHBCQOQKK-TZMCWYRMSA-N 0 0 305.765 2.636 20 50 DFGDRN C=C(CBr)CN1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000366188248 265572244 /nfs/dbraw/zinc/57/22/44/265572244.db2.gz GQOIRXHUXWNUCA-OAHLLOKOSA-N 0 0 321.218 2.883 20 50 DFGDRN CC(C)CNC(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)s1 ZINC000282478116 265806798 /nfs/dbraw/zinc/80/67/98/265806798.db2.gz CBXPNPWGXWWYMW-WUXMJOGZSA-N 0 0 314.414 2.828 20 50 DFGDRN CCC(CC)(CNC(=O)/C(C#N)=C\c1ccc(O)cc1)OC ZINC000294734725 266000937 /nfs/dbraw/zinc/00/09/37/266000937.db2.gz UMEQTONINYKLLP-UVTDQMKNSA-N 0 0 302.374 2.621 20 50 DFGDRN CCCCNC(=O)/C(C#N)=C/c1ncc(C(F)(F)F)s1 ZINC000278810706 266031739 /nfs/dbraw/zinc/03/17/39/266031739.db2.gz QIZHIPCDZDEGGT-VMPITWQZSA-N 0 0 303.309 2.985 20 50 DFGDRN CCCS(=O)(=O)/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000191761515 266063684 /nfs/dbraw/zinc/06/36/84/266063684.db2.gz FHFOFUVIUHIWLT-POHAHGRESA-N 0 0 314.750 2.937 20 50 DFGDRN CCC[C@H](C)C(=O)/C(C#N)=C\c1cnc(-c2cnn(C)c2)nc1 ZINC000376011896 266075873 /nfs/dbraw/zinc/07/58/73/266075873.db2.gz BRWQCOJTJLQMCY-JVXNRYDGSA-N 0 0 309.373 2.789 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CC(C)=O)c1C ZINC000179125092 266089191 /nfs/dbraw/zinc/08/91/91/266089191.db2.gz UYRRRVWOLBSMOH-YXHQGMJNSA-N 0 0 315.417 2.906 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)[C@H](C)OC)c1C ZINC000188364796 266089235 /nfs/dbraw/zinc/08/92/35/266089235.db2.gz FFDBAXORULCUJP-IPTOOOSXSA-N 0 0 317.433 2.962 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)[C@@H](C)CO)c1C ZINC000269151924 266089786 /nfs/dbraw/zinc/08/97/86/266089786.db2.gz QYFBCOJPYDMOEB-ZWSCYVBNSA-N 0 0 317.433 2.555 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCCOC2)c1C ZINC000171697316 266089822 /nfs/dbraw/zinc/08/98/22/266089822.db2.gz NBEWGJYAOAMOSV-KGZWWPETSA-N 0 0 315.417 2.717 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cncnc2)c1C ZINC000274346782 266090564 /nfs/dbraw/zinc/09/05/64/266090564.db2.gz RFOFYKBQOBHTHA-VIZOYTHASA-N 0 0 309.373 2.851 20 50 DFGDRN CCN(CC)C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C ZINC000192583343 266109281 /nfs/dbraw/zinc/10/92/81/266109281.db2.gz NJTTYRQJQGHHKV-LFIBNONCSA-N 0 0 303.406 2.527 20 50 DFGDRN CCN(C[C@H]1CCCO1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1 ZINC000270687838 266134504 /nfs/dbraw/zinc/13/45/04/266134504.db2.gz BEDSWDNGJZESFC-INQNZLQJSA-N 0 0 301.346 2.960 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N(C)C[C@@H](C)Cc1ccc(OC)cc1 ZINC000179197247 266185989 /nfs/dbraw/zinc/18/59/89/266185989.db2.gz BUYCARXRHOUNIO-BXWAGETQSA-N 0 0 316.401 2.776 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N(C)[C@H](COC)c1ccc(Cl)cc1 ZINC000278848731 266187260 /nfs/dbraw/zinc/18/72/60/266187260.db2.gz DUKYJYVVHHMYEL-NRMKIYEFSA-N 0 0 322.792 2.930 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N(C)Cc1cccc(OC(C)C)c1 ZINC000179123215 266187508 /nfs/dbraw/zinc/18/75/08/266187508.db2.gz HQEMFOLRGOTBAQ-NTCAYCPXSA-N 0 0 302.374 2.876 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N1CCC(N(C)c2ccccc2)CC1 ZINC000178971385 266191108 /nfs/dbraw/zinc/19/11/08/266191108.db2.gz BMADMBZPJJJNGQ-CCEZHUSRSA-N 0 0 313.401 2.558 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N1CC[C@@H](Cc2ccc(F)c(F)c2)C1 ZINC000376296549 266203256 /nfs/dbraw/zinc/20/32/56/266203256.db2.gz QNWVVHUKUHASQI-UQRISPGASA-N 0 0 320.339 2.800 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000179995681 266204441 /nfs/dbraw/zinc/20/44/41/266204441.db2.gz RHAVFHZIZYXWNM-RUMSDORHSA-N 0 0 320.776 2.764 20 50 DFGDRN CCO/C=C(\C#N)C(=O)NC(C)(C)COCc1ccccc1 ZINC000282131842 266208979 /nfs/dbraw/zinc/20/89/79/266208979.db2.gz PKMROCSYRBAQMN-NTCAYCPXSA-N 0 0 302.374 2.542 20 50 DFGDRN CCO/C=C(\C#N)C(=O)NCC[C@@H](C)c1ccc(OC)cc1 ZINC000178968939 266212016 /nfs/dbraw/zinc/21/20/16/266212016.db2.gz WHTDHRXJQDIKOP-MLJWKTOOSA-N 0 0 302.374 2.749 20 50 DFGDRN CCO/C=C(\C#N)C(=O)NC[C@H](C)Oc1ccccc1Cl ZINC000178969553 266215564 /nfs/dbraw/zinc/21/55/64/266215564.db2.gz FUOJZKSRUQLCCK-OCUQMRJBSA-N 0 0 308.765 2.667 20 50 DFGDRN CCO/C=C(\C#N)C(=O)NCc1c(C)nn(-c2ccccc2)c1C ZINC000178949498 266216931 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ZINC000153548662 266313761 /nfs/dbraw/zinc/31/37/61/266313761.db2.gz ABOQZGJFYYUVAX-IKPVCSFRSA-N 0 0 316.401 2.515 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](O)[C@@H](C)CC)cc1 ZINC000268540378 266320271 /nfs/dbraw/zinc/32/02/71/266320271.db2.gz BKMOVDIQRKLDOY-MMVIWPHWSA-N 0 0 316.401 2.515 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H]2CCCCO2)cc1 ZINC000299247419 266320413 /nfs/dbraw/zinc/32/04/13/266320413.db2.gz QCAHABJBOJQKNU-GSPCDJLXSA-N 0 0 314.385 2.678 20 50 DFGDRN CN(/C(=C/C#N)c1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000175430208 266476942 /nfs/dbraw/zinc/47/69/42/266476942.db2.gz NFZCATOOHMLBNC-SZLZGVTBSA-N 0 0 319.412 2.942 20 50 DFGDRN COC1(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)CCC1 ZINC000293796121 266676278 /nfs/dbraw/zinc/67/62/78/266676278.db2.gz CIDHPTLSKCUPLE-KAMYIIQDSA-N 0 0 302.349 2.808 20 50 DFGDRN CC(C)OCCCNC(=O)/C(C#N)=C\c1ncc(Cl)s1 ZINC000490878621 266930492 /nfs/dbraw/zinc/93/04/92/266930492.db2.gz PDOOETGPLCIDPK-POHAHGRESA-N 0 0 313.810 2.635 20 50 DFGDRN 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CC(C)(C)c1ccc(OCCCC(=O)NNC(=O)C2CC2)cc1 ZINC000015794276 398397479 /nfs/dbraw/zinc/39/74/79/398397479.db2.gz LSSOTSBDRCYCKQ-UHFFFAOYSA-N 0 0 318.417 2.701 20 50 DFGDRN O=C(COc1ccc2ccccc2c1)NN=Cc1cccnc1 ZINC000015938838 398397384 /nfs/dbraw/zinc/39/73/84/398397384.db2.gz ZNGDZZJBXUENQJ-UHFFFAOYSA-N 0 0 305.337 2.764 20 50 DFGDRN CC(C)(C)OC(=O)NNC(=O)c1cccnc1SC(F)F ZINC000017398749 398403670 /nfs/dbraw/zinc/40/36/70/398403670.db2.gz UQPJHTKDHOBKAH-UHFFFAOYSA-N 0 0 319.333 2.566 20 50 DFGDRN COc1ccc(C)cc1[C@@H](C)NC(=O)NNC(=O)CCC(C)C ZINC000067038310 398414005 /nfs/dbraw/zinc/41/40/05/398414005.db2.gz GRHFQXBMPGXFTI-CYBMUJFWSA-N 0 0 321.421 2.831 20 50 DFGDRN CC(C)CCC(=O)NNC(=O)NCC[C@H](C)c1ccccc1 ZINC000067080831 398415742 /nfs/dbraw/zinc/41/57/42/398415742.db2.gz OAHGWRUHSJMNCU-AWEZNQCLSA-N 0 0 305.422 2.947 20 50 DFGDRN COc1ccccc1C(=O)NNC(=O)[C@@H]1CCCc2ccccc21 ZINC000067436039 398434957 /nfs/dbraw/zinc/43/49/57/398434957.db2.gz CWBGXIODGSNKJR-OAHLLOKOSA-N 0 0 324.380 2.576 20 50 DFGDRN CCCNC(=O)/C(C#N)=C\c1c(C)nn(CC(C)C)c1Cl ZINC000073116763 398662907 /nfs/dbraw/zinc/66/29/07/398662907.db2.gz LMUWIUAHWMAPST-GHXNOFRVSA-N 0 0 308.813 2.934 20 50 DFGDRN CCCCCc1ccc(C(=O)CCC(=O)NNC(C)=O)cc1 ZINC000045826913 398685839 /nfs/dbraw/zinc/68/58/39/398685839.db2.gz MOAXXUJGMXRYAB-UHFFFAOYSA-N 0 0 304.390 2.550 20 50 DFGDRN O=C(NNC(=O)N1CCC[C@H]1c1ccccc1)c1ccccc1 ZINC000050098261 398804114 /nfs/dbraw/zinc/80/41/14/398804114.db2.gz RUYZZRMDQFXCSH-INIZCTEOSA-N 0 0 309.369 2.878 20 50 DFGDRN O=C(NNC(=O)C1(c2cccc(Cl)c2)CCCC1)C1CC1 ZINC000075903415 398828724 /nfs/dbraw/zinc/82/87/24/398828724.db2.gz LHDSLZKRGQREFD-UHFFFAOYSA-N 0 0 306.793 2.709 20 50 DFGDRN Cc1cc(C(=O)NNC(=O)N[C@@H](C)c2ccccc2C)c(C)o1 ZINC000053577793 398877804 /nfs/dbraw/zinc/87/78/04/398877804.db2.gz UCTSDFZLCHAUAC-LBPRGKRZSA-N 0 0 315.373 2.910 20 50 DFGDRN COC(=O)NNC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000053955177 398885080 /nfs/dbraw/zinc/88/50/80/398885080.db2.gz YKMWJEBVHWCTTE-UHFFFAOYSA-N 0 0 315.329 2.658 20 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/nfs/dbraw/zinc/93/87/31/269938731.db2.gz NICDWTCWBJHEBV-TUOYRWMMSA-N 0 0 308.740 2.681 20 50 DFGDRN N#CC1=CCN(C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)CC1 ZINC000492319412 269945198 /nfs/dbraw/zinc/94/51/98/269945198.db2.gz LMGFTOWURIBWCK-UPHRSURJSA-N 0 0 316.744 2.764 20 50 DFGDRN C=C(Cl)CNC(=O)/C(C#N)=C\c1cc(C)n(CCOC)c1C ZINC000490664999 270002366 /nfs/dbraw/zinc/00/23/66/270002366.db2.gz WWPVJGISHKEGAL-NVNXTCNLSA-N 0 0 321.808 2.527 20 50 DFGDRN Cc1ncc(NC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)s1 ZINC000490784459 270002367 /nfs/dbraw/zinc/00/23/67/270002367.db2.gz ZJXRIMKCOQQZDM-UUILKARUSA-N 0 0 311.370 2.516 20 50 DFGDRN N#CCc1ccnc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1 ZINC000490840280 270002382 /nfs/dbraw/zinc/00/23/82/270002382.db2.gz GDMIJOGZSDKLNI-NTEUORMPSA-N 0 0 306.300 2.832 20 50 DFGDRN CCc1cnc(/C=C(\C#N)C(=O)NCCCOC(C)C)s1 ZINC000490838570 270002422 /nfs/dbraw/zinc/00/24/22/270002422.db2.gz BHNBCENJNSZPFY-XYOKQWHBSA-N 0 0 307.419 2.544 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CC[C@@H](OC)C2)cc1 ZINC000490699049 270002437 /nfs/dbraw/zinc/00/24/37/270002437.db2.gz SBQOKEQSYLXZPL-PVLDGPILSA-N 0 0 314.385 2.676 20 50 DFGDRN CCc1cnc(/C=C(\C#N)C(=O)NCCc2ccccc2)s1 ZINC000490843581 270002495 /nfs/dbraw/zinc/00/24/95/270002495.db2.gz OKGNIVYMSRHRCO-GXDHUFHOSA-N 0 0 311.410 2.971 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccon2)cc1 ZINC000490814273 270002514 /nfs/dbraw/zinc/00/25/14/270002514.db2.gz UHDNIFIDJHKUSF-GVIGZQTCSA-N 0 0 311.341 2.858 20 50 DFGDRN N#CCOc1cccc(/C=C(\C#N)C(=O)Nc2nccs2)c1 ZINC000490610414 270002535 /nfs/dbraw/zinc/00/25/35/270002535.db2.gz IYTWQURGERPNTD-XYOKQWHBSA-N 0 0 310.338 2.591 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCC=CO2)cc1 ZINC000490909476 270002538 /nfs/dbraw/zinc/00/25/38/270002538.db2.gz OCCPTQSLIJAISY-HKBKRHGFSA-N 0 0 312.369 2.801 20 50 DFGDRN N#C/C(=C\c1c(C2CC2)nc2sccn12)C(=O)N1CCCC1 ZINC000091538884 264898877 /nfs/dbraw/zinc/89/88/77/264898877.db2.gz PQYAXCIXKFWRLE-FMIVXFBMSA-N 0 0 312.398 2.803 20 50 DFGDRN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)/C(C#N)=C\c1ccc(F)cc1 ZINC000281185397 265569085 /nfs/dbraw/zinc/56/90/85/265569085.db2.gz BWBBMDBVOUQVIO-NNCGYZKMSA-N 0 0 314.360 2.830 20 50 DFGDRN CCCCN(CCOC)C(=O)/C(C#N)=C\c1ccc(O)cc1 ZINC000194592328 266030829 /nfs/dbraw/zinc/03/08/29/266030829.db2.gz NPNKHTKFNUTGCH-QINSGFPZSA-N 0 0 302.374 2.574 20 50 DFGDRN CCCCNC(=O)/C(C#N)=C/c1cccc(OCCCOC)c1 ZINC000195193867 266031510 /nfs/dbraw/zinc/03/15/10/266031510.db2.gz BJHPKVVYGLQBPE-FOWTUZBSSA-N 0 0 316.401 2.925 20 50 DFGDRN CCCN(NC(=O)c1ccc(F)c(C#N)c1)C(=O)OC(C)(C)C ZINC000286605821 266053086 /nfs/dbraw/zinc/05/30/86/266053086.db2.gz UZPYSAJAKHRPDB-UHFFFAOYSA-N 0 0 321.352 2.989 20 50 DFGDRN CCCNC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(OC)c1 ZINC000193796915 266054919 /nfs/dbraw/zinc/05/49/19/266054919.db2.gz PSSVVWIGWMXYDD-XFFZJAGNSA-N 0 0 310.300 2.730 20 50 DFGDRN CCCS(=O)(=O)/C(C#N)=C/c1cn(C)nc1-c1ccccc1 ZINC000191760315 266060904 /nfs/dbraw/zinc/06/09/04/266060904.db2.gz OQZZISOEYJUHFJ-XNTDXEJSSA-N 0 0 315.398 2.776 20 50 DFGDRN CCCS(=O)(=O)/C(C#N)=C/c1cccc(-c2cnn(C)c2)c1 ZINC000373623495 266061010 /nfs/dbraw/zinc/06/10/10/266061010.db2.gz PUHGIZONLHKACS-CXUHLZMHSA-N 0 0 315.398 2.776 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ncccn2)c1C ZINC000284223230 266090632 /nfs/dbraw/zinc/09/06/32/266090632.db2.gz NVVLHLMBRLQLCY-XNTDXEJSSA-N 0 0 309.373 2.851 20 50 DFGDRN CCN(C)C(=O)/C(C#N)=C/c1cc(C)n(C[C@@H]2CCCO2)c1C ZINC000298450066 266099746 /nfs/dbraw/zinc/09/97/46/266099746.db2.gz PMXYSGCXRNYEMP-KGZWWPETSA-N 0 0 315.417 2.669 20 50 DFGDRN CCNC(=O)Nc1ccc(C)c(NC(=O)/C(C#N)=C/OCC)c1 ZINC000279168745 266167878 /nfs/dbraw/zinc/16/78/78/266167878.db2.gz GVZWUXSCWJWGFC-ZRDIBKRKSA-N 0 0 316.361 2.519 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000155987371 266181148 /nfs/dbraw/zinc/18/11/48/266181148.db2.gz LZQJIIJCNQRFDY-CBWMLKRNSA-N 0 0 314.385 2.714 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@H](C)c1cn(C(C)(C)C)nc1C ZINC000137318293 266182066 /nfs/dbraw/zinc/18/20/66/266182066.db2.gz YLFSYNCXUSNFBD-COVOJHCQSA-N 0 0 304.394 2.568 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@H](C)CCc1ccc(OC)cc1 ZINC000159206313 266182349 /nfs/dbraw/zinc/18/23/49/266182349.db2.gz KIUIVLNHZLAFOD-DKXRRRNBSA-N 0 0 302.374 2.576 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@H]1CCSc2ccc(F)cc21 ZINC000158706518 266183959 /nfs/dbraw/zinc/18/39/59/266183959.db2.gz SZLOSCDTYGJNJO-XPSMFNQNSA-N 0 0 306.362 2.923 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000178948197 266185521 /nfs/dbraw/zinc/18/55/21/266185521.db2.gz SBRYBAFCXLLGOF-VAWYXSNFSA-N 0 0 308.765 2.621 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N(C)C[C@H]1CCCc2sc(C)nc21 ZINC000372524458 266187786 /nfs/dbraw/zinc/18/77/86/266187786.db2.gz FBIAMGWZAQNBDT-GMCKNXKJSA-N 0 0 319.430 2.774 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N1CCC[C@@H]1c1ccc(COC)o1 ZINC000186246077 266197063 /nfs/dbraw/zinc/19/70/63/266197063.db2.gz WOYHGNIINLKFOL-IEZBTEQYSA-N 0 0 304.346 2.533 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N1C[C@@H](c2ccccc2C)OC[C@H]1C ZINC000178969326 266205628 /nfs/dbraw/zinc/20/56/28/266205628.db2.gz BRXNGWNKXKALME-PBYBUVHISA-N 0 0 314.385 2.727 20 50 DFGDRN CCO/C=C(\C#N)C(=O)NC1(c2nc(C)cs2)CCCC1 ZINC000178966351 266209311 /nfs/dbraw/zinc/20/93/11/266209311.db2.gz KKMWKIGBSKCECT-FMIVXFBMSA-N 0 0 305.403 2.781 20 50 DFGDRN CCO/C=C(\C#N)C(=O)NCCn1ccc2cc(Cl)ccc21 ZINC000285825910 266214047 /nfs/dbraw/zinc/21/40/47/266214047.db2.gz GEUUIXROHNWTLZ-ACCUITESSA-N 0 0 317.776 2.855 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000178967818 266227141 /nfs/dbraw/zinc/22/71/41/266227141.db2.gz FMZSZUUKPAELCR-DEQOLOFCSA-N 0 0 322.792 2.976 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@H](c1nc(C)cs1)C(F)(F)F ZINC000295524329 266228695 /nfs/dbraw/zinc/22/86/95/266228695.db2.gz FIPKTGTVCGQMMR-WHXYTISESA-N 0 0 319.308 2.615 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@H](COC)c1cccc(Cl)c1 ZINC000292973147 266228785 /nfs/dbraw/zinc/22/87/85/266228785.db2.gz IYPRJUXZFONJGC-BRADTZPFSA-N 0 0 308.765 2.588 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC000178969070 266229591 /nfs/dbraw/zinc/22/95/91/266229591.db2.gz JJSSGMINHFAXNJ-LTNMDHOVSA-N 0 0 306.406 2.674 20 50 DFGDRN CCO/C=C(\C#N)C(=O)Nc1cc(C)n(-c2ccc(C)cc2)n1 ZINC000182945648 266231087 /nfs/dbraw/zinc/23/10/87/266231087.db2.gz WYAPFGZKJWXWBP-SDNWHVSQSA-N 0 0 310.357 2.872 20 50 DFGDRN CCO/C=C(\C#N)C(=O)Nc1ccc(F)cc1OCC(F)F ZINC000180807864 266233852 /nfs/dbraw/zinc/23/38/52/266233852.db2.gz MNOBJKDCAIAUAZ-VQHVLOKHSA-N 0 0 314.263 2.852 20 50 DFGDRN CCO/C=C(\C#N)C(=O)Nc1cccc(NC(=O)C(C)C)c1 ZINC000178954825 266234789 /nfs/dbraw/zinc/23/47/89/266234789.db2.gz UCFWOKSZJUOMBC-ZRDIBKRKSA-N 0 0 301.346 2.664 20 50 DFGDRN CCO/C=C(\C#N)C(=O)Nc1ccccc1NC(=O)NC(C)C ZINC000178957291 266237228 /nfs/dbraw/zinc/23/72/28/266237228.db2.gz RRPFJANTGKYSDY-ZRDIBKRKSA-N 0 0 316.361 2.599 20 50 DFGDRN CCOC(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1SC ZINC000265967220 266254127 /nfs/dbraw/zinc/25/41/27/266254127.db2.gz KCXDIIYIGIHRHS-WDZFZDKYSA-N 0 0 307.371 2.896 20 50 DFGDRN CCOCCCNC(=O)/C(C#N)=C\c1ccc(OC)c(Cl)c1 ZINC000125247486 266275809 /nfs/dbraw/zinc/27/58/09/266275809.db2.gz QPSYRFWPULWDFM-LCYFTJDESA-N 0 0 322.792 2.798 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](CC)OC)cc1 ZINC000292535858 266318223 /nfs/dbraw/zinc/31/82/23/266318223.db2.gz RKXMGZXZRAUURP-YVGNARHYSA-N 0 0 302.374 2.533 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NCCOCC2CC2)cc1 ZINC000264421588 266318327 /nfs/dbraw/zinc/31/83/27/266318327.db2.gz ACKCYENKLTXWKS-LFIBNONCSA-N 0 0 314.385 2.535 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCCOCC2)cc1 ZINC000182135385 266324864 /nfs/dbraw/zinc/32/48/64/266324864.db2.gz BVWXGFMRAWDXDI-STTHAQSSSA-N 0 0 314.385 2.678 20 50 DFGDRN CC[C@H]1OCCC[C@@H]1C(=O)NNc1ccc(C#N)c(Cl)c1 ZINC000277290747 266428516 /nfs/dbraw/zinc/42/85/16/266428516.db2.gz JCZCUNYWWRPWKE-GXTWGEPZSA-N 0 0 307.781 2.860 20 50 DFGDRN CC[C@]1(CO)CCCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1 ZINC000275146274 266432865 /nfs/dbraw/zinc/43/28/65/266432865.db2.gz OHVQPFAXAXGGCN-BNSMALCHSA-N 0 0 315.373 2.944 20 50 DFGDRN CC(C)C[C@]1(C)CCCN1C(=O)/C(C#N)=C/c1cnn(C)c1 ZINC000491132077 266910669 /nfs/dbraw/zinc/91/06/69/266910669.db2.gz MHYLWTWVMGPXOA-BXUGYJKXSA-N 0 0 300.406 2.754 20 50 DFGDRN C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)[C@H]1CCCCO1 ZINC000273083156 266943339 /nfs/dbraw/zinc/94/33/39/266943339.db2.gz AWDUWMOZSBNHNU-UMFRXALVSA-N 0 0 302.349 2.806 20 50 DFGDRN C[C@@H](c1ccncc1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1 ZINC000188310100 267004607 /nfs/dbraw/zinc/00/46/07/267004607.db2.gz QUTXNGZDSWBGGV-RERGGYADSA-N 0 0 307.353 2.914 20 50 DFGDRN CCCCNC(=O)/C(C#N)=C/c1nccn1Cc1ccccc1 ZINC000490664722 267008186 /nfs/dbraw/zinc/00/81/86/267008186.db2.gz UGNQMOUKQPVXAX-FOWTUZBSSA-N 0 0 308.385 2.755 20 50 DFGDRN CCCNC(=O)/C(C#N)=C\c1c(Cl)n(C)nc1C(F)(F)F ZINC000490877227 267021701 /nfs/dbraw/zinc/02/17/01/267021701.db2.gz LSWAZFYEVGICKV-ALCCZGGFSA-N 0 0 320.702 2.525 20 50 DFGDRN CCCNC(=O)/C(C#N)=C/c1cccn1Cc1ccccc1C#N ZINC000490662893 267021876 /nfs/dbraw/zinc/02/18/76/267021876.db2.gz FLTPKFWNVQNWBE-GZTJUZNOSA-N 0 0 318.380 2.841 20 50 DFGDRN CCCNC(=O)/C(C#N)=C\c1nc2ccc(OC)cc2s1 ZINC000490693603 267022961 /nfs/dbraw/zinc/02/29/61/267022961.db2.gz JINFTISIWXBRJD-YFHOEESVSA-N 0 0 301.371 2.738 20 50 DFGDRN C[C@@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@H](C2CC2)O1 ZINC000279248557 267033229 /nfs/dbraw/zinc/03/32/29/267033229.db2.gz GYVVXWVFJSGHMX-MYWOWTHFSA-N 0 0 313.357 2.959 20 50 DFGDRN CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC(CF)C2)c1C ZINC000491109321 267044592 /nfs/dbraw/zinc/04/45/92/267044592.db2.gz ZNYNCIVCPBWOLT-APSNUPSMSA-N 0 0 303.381 2.850 20 50 DFGDRN CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC2(C#N)CC2)c1C ZINC000491048049 267045852 /nfs/dbraw/zinc/04/58/52/267045852.db2.gz KBPYPXFNBGNEKC-SXGWCWSVSA-N 0 0 310.401 2.842 20 50 DFGDRN CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC[C@H](C)OC)c1C ZINC000490906269 267046595 /nfs/dbraw/zinc/04/65/95/267046595.db2.gz CCEYXDZAJYOJCU-FMNVXAMXSA-N 0 0 317.433 2.963 20 50 DFGDRN CCN(Cc1cnn(C)c1)C(=O)/C(C#N)=C/c1ccc(F)cc1 ZINC000490840270 267071525 /nfs/dbraw/zinc/07/15/25/267071525.db2.gz GCJYWOBVFBXUQY-OVCLIPMQSA-N 0 0 312.348 2.515 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N(Cc1ccccc1)C[C@@](C)(O)CC ZINC000490699187 267074689 /nfs/dbraw/zinc/07/46/89/267074689.db2.gz SNBWQZWDXBLQIT-ZUTYSQTGSA-N 0 0 316.401 2.620 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N1CCC[C@@H]1Cc1cc(F)ccc1F ZINC000491048739 267077901 /nfs/dbraw/zinc/07/79/01/267077901.db2.gz LITHIRDUQQSGKL-BMOGTNHUSA-N 0 0 320.339 2.942 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000491107393 267082440 /nfs/dbraw/zinc/08/24/40/267082440.db2.gz VBXRMIBOTYCTGQ-SSCKCOOKSA-N 0 0 320.776 2.764 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N1[C@H](C)Cc2cc(OC)ccc2[C@@H]1C ZINC000490843958 267084825 /nfs/dbraw/zinc/08/48/25/267084825.db2.gz PCYBPPMWMXTHNZ-HAQQTBRTSA-N 0 0 314.385 2.973 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N1[C@H](C)Cc2cc(OC)ccc2[C@H]1C ZINC000490843973 267084896 /nfs/dbraw/zinc/08/48/96/267084896.db2.gz PCYBPPMWMXTHNZ-VVKGIKJRSA-N 0 0 314.385 2.973 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000491173416 267096265 /nfs/dbraw/zinc/09/62/65/267096265.db2.gz COJVWHUXUNGFFL-AVUYXXIPSA-N 0 0 310.275 2.520 20 50 DFGDRN C[C@@H]1OCC[C@]12CN(/C(=C/C#N)c1ccc(F)cc1)C[C@@H](C)O2 ZINC000279884402 267100771 /nfs/dbraw/zinc/10/07/71/267100771.db2.gz UNTPXMNLQCSDOA-UXLKQVLMSA-N 0 0 316.376 2.958 20 50 DFGDRN CCO/C=C(/C#N)C(=O)Nc1cnn(-c2ccc(C)cc2C)c1 ZINC000490691381 267103713 /nfs/dbraw/zinc/10/37/13/267103713.db2.gz FLSMAPDYMWDWCF-KAMYIIQDSA-N 0 0 310.357 2.872 20 50 DFGDRN CCO/C=C(\C#N)C(=O)Nc1cc([N+](=O)[O-])ccc1NC(C)C ZINC000491175056 267109984 /nfs/dbraw/zinc/10/99/84/267109984.db2.gz JKLDFXWNHWHRSR-PKNBQFBNSA-N 0 0 318.333 2.798 20 50 DFGDRN CCO/C=C(\C#N)C(=O)Nc1nc(-c2cccnc2)cs1 ZINC000490944600 267110761 /nfs/dbraw/zinc/11/07/61/267110761.db2.gz WXUVVTLPZRMOKK-DHZHZOJOSA-N 0 0 300.343 2.588 20 50 DFGDRN C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccncc2)cc1 ZINC000180568180 267123580 /nfs/dbraw/zinc/12/35/80/267123580.db2.gz VRIPXGNYHSHFSD-QQFZQELXSA-N 0 0 318.336 2.918 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)Nc2cnc(C)nc2)cc1 ZINC000490637451 267158022 /nfs/dbraw/zinc/15/80/22/267158022.db2.gz HLPNVVZQRKZOGM-ZSOIEALJSA-N 0 0 308.341 2.729 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccnn2CC)cc1 ZINC000490942925 267158570 /nfs/dbraw/zinc/15/85/70/267158570.db2.gz PXBYRWKYNAIXJR-KAMYIIQDSA-N 0 0 310.357 2.847 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(F)(F)C2)cc1 ZINC000490941447 267159661 /nfs/dbraw/zinc/15/96/61/267159661.db2.gz KZHBGTKJMPCDME-UKTHLTGXSA-N 0 0 306.312 2.860 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NCC[C@H](O)C(C)C)cc1 ZINC000490662776 267160374 /nfs/dbraw/zinc/16/03/74/267160374.db2.gz DQWJBMUIQJAYHG-JMPLCFMRSA-N 0 0 316.401 2.515 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CC[C@H](C)O2)cc1 ZINC000491175724 267161307 /nfs/dbraw/zinc/16/13/07/267161307.db2.gz MKUFWRVPDVEICD-MMVIWPHWSA-N 0 0 314.385 2.676 20 50 DFGDRN C[C@H](Cc1ccc(O)cc1)NC(=O)/C(C#N)=C\c1ccc(O)cc1 ZINC000185869985 267167030 /nfs/dbraw/zinc/16/70/30/267167030.db2.gz ORAHPBHJPKKNSW-YYTPVVGHSA-N 0 0 322.364 2.752 20 50 DFGDRN CCOc1ccc(NC(=O)/C(C#N)=C/c2nc(C#N)cs2)cc1 ZINC000490972545 267170560 /nfs/dbraw/zinc/17/05/60/267170560.db2.gz KJJJLHFGWWYHPO-YRNVUSSQSA-N 0 0 324.365 2.959 20 50 DFGDRN CCOc1cccc([C@@H](C)NC(=O)/C(C#N)=C/c2cnn(C)c2)c1 ZINC000491162668 267174190 /nfs/dbraw/zinc/17/41/90/267174190.db2.gz SYUJNAIOEGDXNT-WJHGTXIHSA-N 0 0 324.384 2.603 20 50 DFGDRN CCS[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cnn(C)c1 ZINC000490978281 267180431 /nfs/dbraw/zinc/18/04/31/267180431.db2.gz VPQFRIOWQMPZHV-WAYTWBJWSA-N 0 0 318.446 2.508 20 50 DFGDRN CC[C@H](C)[C@H](C)N(C(=O)/C(C#N)=C/c1cnn(C)c1)C1CC1 ZINC000491101146 267206186 /nfs/dbraw/zinc/20/61/86/267206186.db2.gz CXZTUAQEBFNVCT-NJAUWNEGSA-N 0 0 300.406 2.753 20 50 DFGDRN CCc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)cn1 ZINC000490941836 267246794 /nfs/dbraw/zinc/24/67/94/267246794.db2.gz MHSOARXQLANMGM-ATVHPVEESA-N 0 0 305.381 2.910 20 50 DFGDRN C[C@H]1c2cccn2CCN1C(=O)/C(C#N)=C\c1ccc(O)cc1 ZINC000194140036 267254046 /nfs/dbraw/zinc/25/40/46/267254046.db2.gz MVRQEORYZATYSY-WZMONFQBSA-N 0 0 307.353 2.704 20 50 DFGDRN C[C@]1(O)CCOC[C@@H]1[C@@H]1CCCN1/C(=C/C#N)c1ccccc1 ZINC000284699457 267264335 /nfs/dbraw/zinc/26/43/35/267264335.db2.gz GGOTZBSQDSDIHP-SOZVIDIFSA-N 0 0 312.413 2.803 20 50 DFGDRN CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H](CO)CC(C)(C)C ZINC000491012583 267267144 /nfs/dbraw/zinc/26/71/44/267267144.db2.gz ROPIFDRCQQQZDU-AAWPKVBNSA-N 0 0 316.401 2.555 20 50 DFGDRN Cc1c(/C=C(\C#N)C(=O)NCCC2=CCCC2)cc(C#N)n1C ZINC000178873400 267269463 /nfs/dbraw/zinc/26/94/63/267269463.db2.gz DNYZRSFCCOCABG-CXUHLZMHSA-N 0 0 308.385 2.729 20 50 DFGDRN Cc1c(/C=C(\C#N)C(=O)Nc2ccc(O)cc2F)cc(C#N)n1C ZINC000183276365 267273748 /nfs/dbraw/zinc/27/37/48/267273748.db2.gz HJPATPAFOQXMAT-LFYBBSHMSA-N 0 0 324.315 2.596 20 50 DFGDRN CN(C)c1ccc(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)cn1 ZINC000490844523 267292822 /nfs/dbraw/zinc/29/28/22/267292822.db2.gz QQWRMKOMGIGTHE-OQLLNIDSSA-N 0 0 324.359 2.510 20 50 DFGDRN CN(C)c1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)ccn1 ZINC000490839855 267292901 /nfs/dbraw/zinc/29/29/01/267292901.db2.gz FJHFIJCNPMVYBI-LCYFTJDESA-N 0 0 310.332 2.832 20 50 DFGDRN CN(Cc1ccccc1)C(=O)/C(C#N)=C\c1cn(C(C)(C)C)nn1 ZINC000491048978 267320156 /nfs/dbraw/zinc/32/01/56/267320156.db2.gz MEYAFNSEGUXKFK-GDNBJRDFSA-N 0 0 323.400 2.599 20 50 DFGDRN Cc1cc([N+](=O)[O-])ccc1/C=C(\C#N)C(=O)Nc1ccncc1 ZINC000184339880 267365140 /nfs/dbraw/zinc/36/51/40/267365140.db2.gz CLCGMJISTRHMOQ-UKTHLTGXSA-N 0 0 308.297 2.844 20 50 DFGDRN Cc1ccc(-c2nc(CC(=O)N3CC=C(C#N)CC3)cs2)o1 ZINC000270932310 267368642 /nfs/dbraw/zinc/36/86/42/267368642.db2.gz KVRTYRZAJAMYDU-UHFFFAOYSA-N 0 0 313.382 2.936 20 50 DFGDRN COC(=O)c1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c[nH]1 ZINC000490725874 267398369 /nfs/dbraw/zinc/39/83/69/267398369.db2.gz LLFDRLQXLLDLOJ-AUWJEWJLSA-N 0 0 323.352 2.964 20 50 DFGDRN COC(=O)c1ccc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)o1 ZINC000490664970 267405514 /nfs/dbraw/zinc/40/55/14/267405514.db2.gz WNPDCYZVSKDVQA-NTEUORMPSA-N 0 0 324.336 2.598 20 50 DFGDRN Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)NCC(C)C ZINC000281164642 267495286 /nfs/dbraw/zinc/49/52/86/267495286.db2.gz PLGPLUXHWXDCDU-XNTDXEJSSA-N 0 0 308.385 2.860 20 50 DFGDRN COc1ccc(/C=C(\C#N)C(=O)NCCCOC(C)C)c(F)c1 ZINC000491176680 267601650 /nfs/dbraw/zinc/60/16/50/267601650.db2.gz RCZVORCXTCWQRF-NTEUORMPSA-N 0 0 320.364 2.673 20 50 DFGDRN COc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)c(C)c1OC ZINC000490941596 267602292 /nfs/dbraw/zinc/60/22/92/267602292.db2.gz LLWATGLVYNCGEY-GXDHUFHOSA-N 0 0 314.385 2.978 20 50 DFGDRN COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2c(C)cnn2C)cc1 ZINC000490936816 267637984 /nfs/dbraw/zinc/63/79/84/267637984.db2.gz BUUNFWMJAVARCI-MLJKTZRHSA-N 0 0 324.384 2.522 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N2CCCC2)c(C2CCCCC2)n1 ZINC000181391696 267776400 /nfs/dbraw/zinc/77/64/00/267776400.db2.gz NANKMOJJOHJCIG-RVDMUPIBSA-N 0 0 312.417 2.997 20 50 DFGDRN C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000490838102 267837757 /nfs/dbraw/zinc/83/77/57/267837757.db2.gz ABTRUJVRXLSZEU-NHSKIZIUSA-N 0 0 302.349 2.664 20 50 DFGDRN N#C/C(=C\c1c(F)cc(C#N)cc1F)C(=O)[C@H]1CCCOC1 ZINC000280965781 267878610 /nfs/dbraw/zinc/87/86/10/267878610.db2.gz KXDBQPQJADZENY-DREKTBMASA-N 0 0 302.280 2.739 20 50 DFGDRN N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2OCCC[C@@H]2C1 ZINC000155565912 267915472 /nfs/dbraw/zinc/91/54/72/267915472.db2.gz LLICPHRINWVPIV-OSKQXKSZSA-N 0 0 313.357 2.960 20 50 DFGDRN Cc1cc([C@@H](C)NC(=O)/C(C#N)=C\c2cnn(C)c2)c(C)s1 ZINC000491053623 268019587 /nfs/dbraw/zinc/01/95/87/268019587.db2.gz ZBKAWJMVRLSFON-MQOXYSQQSA-N 0 0 314.414 2.883 20 50 DFGDRN Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)N1CCCC1 ZINC000490692612 268061855 /nfs/dbraw/zinc/06/18/55/268061855.db2.gz HGLTYRYCYUNVOL-NTCAYCPXSA-N 0 0 306.369 2.710 20 50 DFGDRN Cc1ncc(/C=C/C(=O)NNc2ccc(C#N)c(F)c2)s1 ZINC000493041472 268082004 /nfs/dbraw/zinc/08/20/04/268082004.db2.gz YRJNDISKBOYHFV-SNAWJCMRSA-N 0 0 302.334 2.619 20 50 DFGDRN Cc1ncccc1/C=C(\C#N)C(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000490702681 268088910 /nfs/dbraw/zinc/08/89/10/268088910.db2.gz ZUEHWDXVHQVKKF-OQLLNIDSSA-N 0 0 322.324 2.522 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)NCC2CCC(C)(C)CC2)cn1 ZINC000490978738 268119001 /nfs/dbraw/zinc/11/90/01/268119001.db2.gz WPROPOCLJFEDIE-NVNXTCNLSA-N 0 0 300.406 2.660 20 50 DFGDRN Cn1cc(/C=C(/C#N)C(=O)NCc2ccc(C3CC3)cc2F)cn1 ZINC000491005677 268120001 /nfs/dbraw/zinc/12/00/01/268120001.db2.gz BLMUOZAVSXRYSB-SOFYXZRVSA-N 0 0 324.359 2.660 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H]2C2CCCCC2)cn1 ZINC000491083420 268120934 /nfs/dbraw/zinc/12/09/34/268120934.db2.gz LKEBDVFKKFQGGT-KGZWWPETSA-N 0 0 312.417 2.898 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N2CCC[C@H]2Cc2ccccc2)cn1 ZINC000491009741 268121000 /nfs/dbraw/zinc/12/10/00/268121000.db2.gz KTCFHXXBGFDCLO-LTXFRBGYSA-N 0 0 320.396 2.561 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)C(=O)NC2 ZINC000491050094 268139339 /nfs/dbraw/zinc/13/93/39/268139339.db2.gz OPYPPHNXGLZJDF-QPEQYQDCSA-N 0 0 321.311 2.615 20 50 DFGDRN N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000490943518 268143144 /nfs/dbraw/zinc/14/31/44/268143144.db2.gz RXZCFPASXTUFNZ-AUWJEWJLSA-N 0 0 320.352 2.680 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H](CO)c1ccccc1 ZINC000490879056 268149281 /nfs/dbraw/zinc/14/92/81/268149281.db2.gz QBIXWHWCNZJLBQ-OBHPCNEJSA-N 0 0 310.328 2.582 20 50 DFGDRN N#Cc1ccc(NNC(=O)[C@@H]2Cc3ccccc3O2)cc1Cl ZINC000182347338 268159567 /nfs/dbraw/zinc/15/95/67/268159567.db2.gz FBVULYKYAPIBBU-HNNXBMFYSA-N 0 0 313.744 2.658 20 50 DFGDRN N#Cc1ccc(NNC(=O)[C@H]2C[C@@H]2c2cccnc2)cc1Cl ZINC000364664769 268160578 /nfs/dbraw/zinc/16/05/78/268160578.db2.gz ZQNMVILGAKBVRJ-KGLIPLIRSA-N 0 0 312.760 2.853 20 50 DFGDRN N#Cc1ccc(NNC(=O)c2cnn3c2CCCC3)cc1Cl ZINC000182366981 268161775 /nfs/dbraw/zinc/16/17/75/268161775.db2.gz IOAUPIKUCANEGR-UHFFFAOYSA-N 0 0 315.764 2.501 20 50 DFGDRN N#Cc1cc(Cl)nc(NNC(=O)C=Cc2ccsc2)c1 ZINC000492322829 268182594 /nfs/dbraw/zinc/18/25/94/268182594.db2.gz XJPLYLZTAQZNOX-UPHRSURJSA-N 0 0 304.762 2.825 20 50 DFGDRN N#Cc1ccc(NNC(=O)/C=C/c2ccc3c(c2)CCO3)c(F)c1 ZINC000492800571 268249960 /nfs/dbraw/zinc/24/99/60/268249960.db2.gz YDHGFZADKRYTOH-ZZXKWVIFSA-N 0 0 323.327 2.789 20 50 DFGDRN N#Cc1cccc(NC(=O)NNC(=O)OCc2ccccc2)c1 ZINC000496888500 268280196 /nfs/dbraw/zinc/28/01/96/268280196.db2.gz GLXYJXQBKSPNBN-UHFFFAOYSA-N 0 0 310.313 2.521 20 50 DFGDRN CCCC[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C/c1cnn(C)c1 ZINC000491049461 269648350 /nfs/dbraw/zinc/64/83/50/269648350.db2.gz MRSQRICFQTYGPI-YEZWKHBYSA-N 0 0 300.406 2.802 20 50 DFGDRN CCOC(=O)c1csc(/C(C#N)=C/c2cnn(CC)c2)n1 ZINC000264868038 269668176 /nfs/dbraw/zinc/66/81/76/269668176.db2.gz RVOQESIUTWRKNG-VZUCSPMQSA-N 0 0 302.359 2.600 20 50 DFGDRN CCOCC(C)(C)CNC(=O)/C(C#N)=C/c1ccc(F)cc1 ZINC000491088274 269669771 /nfs/dbraw/zinc/66/97/71/269669771.db2.gz ZDBSFWLYSKSUDB-NTEUORMPSA-N 0 0 304.365 2.912 20 50 DFGDRN CCCCCCCC(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825271004 607355008 /nfs/dbraw/zinc/35/50/08/607355008.db2.gz FOIGWLKZLSYKTO-UHFFFAOYSA-N 0 0 302.382 2.670 20 50 DFGDRN CCC(C[C@H](C)CC)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736333499 598730358 /nfs/dbraw/zinc/73/03/58/598730358.db2.gz ACRQVZVSHQHMKX-LLVKDONJSA-N 0 0 314.393 2.799 20 50 DFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)cc1F)C(=O)c1ccccc1 ZINC000822796421 607455407 /nfs/dbraw/zinc/45/54/07/607455407.db2.gz QFPHORPPTIALRT-RIYZIHGNSA-N 0 0 319.299 2.796 20 50 DFGDRN CCCC[C@H](CC)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825260140 607720585 /nfs/dbraw/zinc/72/05/85/607720585.db2.gz NGMZQQHIXAZYLB-NSHDSACASA-N 0 0 302.382 2.526 20 50 DFGDRN C[C@@H](CC(=O)NNc1cccc(-c2nn[nH]n2)c1)CC(C)(C)C ZINC000824385135 607727462 /nfs/dbraw/zinc/72/74/62/607727462.db2.gz MNPGAAHIVNKCKI-NSHDSACASA-N 0 0 316.409 2.772 20 50 DFGDRN Cc1csc(C(C#N)=Cc2cc(-c3nn[nH]n3)cs2)n1 ZINC000822409166 606334296 /nfs/dbraw/zinc/33/42/96/606334296.db2.gz OINDQBOHRYLWSC-KRXBUXKQSA-N 0 0 300.372 2.757 20 50 DFGDRN CC1(CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)CCCCC1 ZINC000824816813 607807173 /nfs/dbraw/zinc/80/71/73/607807173.db2.gz IKULBOOJYCPBJA-UHFFFAOYSA-N 0 0 314.393 2.670 20 50 DFGDRN CC(C)(C(=O)NNc1cccc(-c2nn[nH]n2)c1)C1CCCC1 ZINC000824064974 607942777 /nfs/dbraw/zinc/94/27/77/607942777.db2.gz QWOBSPUOISVJBQ-UHFFFAOYSA-N 0 0 314.393 2.526 20 50 DFGDRN Cc1ccc(NC(=O)NNc2cccc(-c3nn[nH]n3)c2)c(C)c1 ZINC000826291302 608802217 /nfs/dbraw/zinc/80/22/17/608802217.db2.gz YWRUYCKCMZDMQI-UHFFFAOYSA-N 0 0 323.360 2.632 20 50 DFGDRN CCC[C@@H](C)C(=O)C(C#N)=Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000825232368 608878962 /nfs/dbraw/zinc/87/89/62/608878962.db2.gz GNEHDKCMOJQEMI-CEXMDJMXSA-N 0 0 313.336 2.918 20 50 DFGDRN CCSCc1ccc(C(=O)NNC(=O)NC2CCCC2)cc1 ZINC000065919156 398351017 /nfs/dbraw/zinc/35/10/17/398351017.db2.gz DCJYKKNCMSFXCA-UHFFFAOYSA-N 0 0 321.446 2.826 20 50 DFGDRN Cc1cc(C(=O)NNC(=O)NC2CCCC2)c(C)n1C(C)C ZINC000065918875 398351032 /nfs/dbraw/zinc/35/10/32/398351032.db2.gz ONRAEMRYAGBQEY-UHFFFAOYSA-N 0 0 306.410 2.572 20 50 DFGDRN Cc1cc(C)cc(C2(C(=O)NNC(=O)CCC(C)C)CC2)c1 ZINC000066572641 398385333 /nfs/dbraw/zinc/38/53/33/398385333.db2.gz BFJLVAGMHNTULS-UHFFFAOYSA-N 0 0 302.418 2.919 20 50 DFGDRN CCCCCNC(=O)/C(C#N)=C\c1ccc(C(=O)OCC)o1 ZINC000083535765 398386696 /nfs/dbraw/zinc/38/66/96/398386696.db2.gz IEPHMTIRTMRIFS-BENRWUELSA-N 0 0 304.346 2.670 20 50 DFGDRN O=C(NNC(=O)C1CCCC1)c1ccc(Cl)cc1Cl ZINC000015621604 398396481 /nfs/dbraw/zinc/39/64/81/398396481.db2.gz BORVACXXZYUGKJ-UHFFFAOYSA-N 0 0 301.173 2.945 20 50 DFGDRN CC(C)(C)SCC(=O)NNC(=O)c1ccc(Cl)cc1 ZINC000027757588 398467274 /nfs/dbraw/zinc/46/72/74/398467274.db2.gz OPVFVNUGSQSFKZ-UHFFFAOYSA-N 0 0 300.811 2.633 20 50 DFGDRN COc1ccc(/C=C(/C#N)C(=O)Nc2ccncc2)cc1C#N ZINC000091540099 398534250 /nfs/dbraw/zinc/53/42/50/398534250.db2.gz RWHFJZRCFMWUHQ-ZROIWOOFSA-N 0 0 304.309 2.508 20 50 DFGDRN C[C@@H]1CCc2sc(C(=O)NNC(=O)NCC3CCC3)cc2C1 ZINC000042328911 398588866 /nfs/dbraw/zinc/58/88/66/398588866.db2.gz ZRECDQBWGWZHQT-SNVBAGLBSA-N 0 0 321.446 2.617 20 50 DFGDRN CCCC[C@H](CC)C(=O)NNC(=O)c1cccc([N+](=O)[O-])c1 ZINC000044000646 398635195 /nfs/dbraw/zinc/63/51/95/398635195.db2.gz XAHHKXPIMAKAQF-NSHDSACASA-N 0 0 307.350 2.572 20 50 DFGDRN Cc1cc(C(=O)NNC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c(C)o1 ZINC000045551445 398676808 /nfs/dbraw/zinc/67/68/08/398676808.db2.gz TZPIFXBRZYZOJI-NURSFMCSSA-N 0 0 307.394 2.665 20 50 DFGDRN COCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC(C)C)c1C ZINC000075504970 398807337 /nfs/dbraw/zinc/80/73/37/398807337.db2.gz RZHLYWDFGJMTGI-YVLHZVERSA-N 0 0 317.433 2.773 20 50 DFGDRN O=C(NNC(=O)N1CCC[C@@H]1c1cccs1)c1ccccc1 ZINC000053954800 398885096 /nfs/dbraw/zinc/88/50/96/398885096.db2.gz PJJSRHKNZNCSSB-CYBMUJFWSA-N 0 0 315.398 2.940 20 50 DFGDRN Cc1cccc(OC[C@@H](C)NC(=O)NNC(=O)OC(C)(C)C)c1 ZINC000054613952 398905050 /nfs/dbraw/zinc/90/50/50/398905050.db2.gz NFGDOUFDSFRLFA-GFCCVEGCSA-N 0 0 323.393 2.501 20 50 DFGDRN CCOC(=O)Nc1ccc(NC=C(C#N)C(=O)OCC)cc1 ZINC000055007218 398916595 /nfs/dbraw/zinc/91/65/95/398916595.db2.gz RZTRHKKMEHHFPY-ZHACJKMWSA-N 0 0 303.318 2.637 20 50 DFGDRN CC(C)CNC(=O)/C(C#N)=C\c1cc2c(c(Cl)c1)OCO2 ZINC000078262961 398944799 /nfs/dbraw/zinc/94/47/99/398944799.db2.gz CMCXCTMVHLOSJC-JYOAFUTRSA-N 0 0 306.749 2.748 20 50 DFGDRN C[C@H]1C[C@@H]1c1ccc(CNC(=O)NNC(=O)OC(C)(C)C)o1 ZINC000079636753 399069515 /nfs/dbraw/zinc/06/95/15/399069515.db2.gz ATBJLTFTZQTBQR-ONGXEEELSA-N 0 0 309.366 2.642 20 50 DFGDRN COCCCNC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1 ZINC000491100949 269731128 /nfs/dbraw/zinc/73/11/28/269731128.db2.gz CBEPNHNASAHJJT-CLFYSBASSA-N 0 0 318.320 2.827 20 50 DFGDRN COC[C@H](C)NC(=O)/C(C#N)=C/c1cscc1C(F)(F)F ZINC000491161636 269750036 /nfs/dbraw/zinc/75/00/36/269750036.db2.gz PDFKTYLSXASOCP-FVKOELHVSA-N 0 0 318.320 2.825 20 50 DFGDRN COc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(C)nc2)cc1 ZINC000490878750 269776273 /nfs/dbraw/zinc/77/62/73/269776273.db2.gz PWINXVWDIAYQND-BOPFTXTBSA-N 0 0 321.380 2.665 20 50 DFGDRN C[C@@H](NC(=O)/C(C#N)=C/c1nc(C#N)cs1)c1ccccc1 ZINC000491008755 269839467 /nfs/dbraw/zinc/83/94/67/269839467.db2.gz IZUQMHLZDGJVKZ-ZTFCMROMSA-N 0 0 308.366 2.799 20 50 DFGDRN C[C@@H]1CCN(C(=O)/C(C#N)=C/c2cnn(C)c2)[C@@H]2CCCC[C@@H]12 ZINC000490969915 269854401 /nfs/dbraw/zinc/85/44/01/269854401.db2.gz FUKZZIFUMYGVQM-DGWLQXRLSA-N 0 0 312.417 2.754 20 50 DFGDRN Cc1c(/C=C(/C#N)C(=O)N[C@H]2CCCC[C@@H]2C)cc(C#N)n1C ZINC000192547805 269900996 /nfs/dbraw/zinc/90/09/96/269900996.db2.gz OIVPFQITBFPYLJ-QQBIBYNPSA-N 0 0 310.401 2.807 20 50 DFGDRN Cc1cc(/C=C(/C#N)C(=O)NCc2ccco2)cnc1Cl ZINC000490726226 269908000 /nfs/dbraw/zinc/90/80/00/269908000.db2.gz OSTIFYRFXWHNJH-SDQBBNPISA-N 0 0 301.733 2.860 20 50 DFGDRN Cc1ccccc1[C@@H](C)N(C)C(=O)/C(C#N)=C/c1cnn(C)c1 ZINC000490971775 269920977 /nfs/dbraw/zinc/92/09/77/269920977.db2.gz JKMPWHBIXGDBGL-BRYYZUPOSA-N 0 0 308.385 2.855 20 50 DFGDRN Cn1c(Cl)cnc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1 ZINC000490944884 269932322 /nfs/dbraw/zinc/93/23/22/269932322.db2.gz YEFADFUPVJHEHD-TWGQIWQCSA-N 0 0 304.712 2.758 20 50 DFGDRN N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCSC[C@@H]1C1CC1 ZINC000491100520 269939067 /nfs/dbraw/zinc/93/90/67/269939067.db2.gz BESWQUVTMZQERO-IHWMJMDHSA-N 0 0 314.410 2.653 20 50 DFGDRN N#CC1=CCN(Cc2ccc(I)cc2)CC1 ZINC000272626927 269945971 /nfs/dbraw/zinc/94/59/71/269945971.db2.gz JUCGCUIYHMMJBF-UHFFFAOYSA-N 0 0 324.165 2.947 20 50 DFGDRN C=CCNC(=O)/C(C#N)=C/c1cc(Cl)c(OC)c(OCC)c1 ZINC000003616213 263969251 /nfs/dbraw/zinc/96/92/51/263969251.db2.gz IVDUSTNHECTWJA-KPKJPENVSA-N 0 0 320.776 2.956 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NCc2cccnc2)cc1 ZINC000024427418 263986773 /nfs/dbraw/zinc/98/67/73/263986773.db2.gz KDBANDIEIREITM-MHWRWJLKSA-N 0 0 307.353 2.704 20 50 DFGDRN CC(C)c1ncc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cn1 ZINC000490701349 270002478 /nfs/dbraw/zinc/00/24/78/270002478.db2.gz WQWMPWRZBZKNRD-QPEQYQDCSA-N 0 0 308.341 2.851 20 50 DFGDRN N#Cc1cc(Cl)nc(NNC(=O)C=Cc2ccc(F)cc2)c1 ZINC000092454628 264898216 /nfs/dbraw/zinc/89/82/16/264898216.db2.gz FFJZBDMJAIYXSO-ZZXKWVIFSA-N 0 0 316.723 2.902 20 50 DFGDRN C=C(C)[C@H]1OCC[C@H]1CNC(=O)/C(C#N)=C\c1ccc(F)cc1 ZINC000281185399 265570290 /nfs/dbraw/zinc/57/02/90/265570290.db2.gz BWBBMDBVOUQVIO-YLINASNASA-N 0 0 314.360 2.830 20 50 DFGDRN CCCCCCNC(=O)/C(C#N)=C\c1cn(C)nc1C(F)F ZINC000291490424 266024652 /nfs/dbraw/zinc/02/46/52/266024652.db2.gz IFKRJKMBRIKWIE-FLIBITNWSA-N 0 0 310.348 2.961 20 50 DFGDRN CCCCNC(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)s1 ZINC000282641675 266032634 /nfs/dbraw/zinc/03/26/34/266032634.db2.gz PVKCOKFDQQWAIJ-XYOKQWHBSA-N 0 0 314.414 2.972 20 50 DFGDRN CCCC[C@@H](CCC)NC(=O)NNC(=O)c1ccc(C#N)cc1 ZINC000175995596 266037682 /nfs/dbraw/zinc/03/76/82/266037682.db2.gz LZDJYIRWNRDIKQ-OAHLLOKOSA-N 0 0 316.405 2.861 20 50 DFGDRN CCCCc1nnc(NC(=O)NNc2ccc(C#N)cc2)s1 ZINC000153668852 266040082 /nfs/dbraw/zinc/04/00/82/266040082.db2.gz VANZWMDMNHRYBU-UHFFFAOYSA-N 0 0 316.390 2.901 20 50 DFGDRN CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C)CO)c1C ZINC000269562867 266042178 /nfs/dbraw/zinc/04/21/78/266042178.db2.gz RFXVCACNFNZSJY-LFMVTYOGSA-N 0 0 317.433 2.557 20 50 DFGDRN CCC[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CCO1 ZINC000183794287 266081071 /nfs/dbraw/zinc/08/10/71/266081071.db2.gz AMDMCXQODPKBFT-DNXIFWLFSA-N 0 0 302.349 2.760 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CO)C(C)C)c1C ZINC000182598861 266088991 /nfs/dbraw/zinc/08/89/91/266088991.db2.gz XTUFGMWXPUHHBW-JDZKTDJGSA-N 0 0 317.433 2.555 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CC)COC)c1C ZINC000172506556 266089273 /nfs/dbraw/zinc/08/92/73/266089273.db2.gz WKYDXSRGSIWWRE-KGZWWPETSA-N 0 0 317.433 2.963 20 50 DFGDRN CCN(CC)c1ccc(/C=C(\C#N)S(=O)(=O)CC)cc1F ZINC000191773546 266120768 /nfs/dbraw/zinc/12/07/68/266120768.db2.gz NZZYNGHWROQBTD-UKTHLTGXSA-N 0 0 310.394 2.971 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 ZINC000158975228 266182354 /nfs/dbraw/zinc/18/23/54/266182354.db2.gz 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/nfs/dbraw/zinc/14/49/18/268144918.db2.gz IUQPJOVOEOWRPD-KMKOMSMNSA-N 0 0 305.309 2.645 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1nccn1C(F)F ZINC000490880059 268148582 /nfs/dbraw/zinc/14/85/82/268148582.db2.gz UJGXVIPJBWQGLN-YRNVUSSQSA-N 0 0 320.274 2.641 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1cccc(CO)c1 ZINC000491081391 268148653 /nfs/dbraw/zinc/14/86/53/268148653.db2.gz GCYWOSRCFAEDJY-CXUHLZMHSA-N 0 0 310.328 2.541 20 50 DFGDRN N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H](CO)c1ccccc1 ZINC000490844427 268149511 /nfs/dbraw/zinc/14/95/11/268149511.db2.gz QBIXWHWCNZJLBQ-IUYQLWOBSA-N 0 0 310.328 2.582 20 50 DFGDRN N#C/C(=C\c1ccc(O)cc1)C(=O)NC1CCC(F)(F)CC1 ZINC000491054197 268151878 /nfs/dbraw/zinc/15/18/78/268151878.db2.gz ZXNAHEDVKDVBPG-FMIVXFBMSA-N 0 0 306.312 2.993 20 50 DFGDRN N#Cc1ccc(NNC(=O)/C=C/c2ccc(Cl)nc2)c(F)c1 ZINC000492880401 268250045 /nfs/dbraw/zinc/25/00/45/268250045.db2.gz KXCNFEOFAQLMTL-ZZXKWVIFSA-N 0 0 316.723 2.902 20 50 DFGDRN CCCOc1c(Cl)cc(/C=C(/C#N)C(N)=O)cc1OCC ZINC000192539543 269654242 /nfs/dbraw/zinc/65/42/42/269654242.db2.gz ZIYBLQPUOZNYRY-WDZFZDKYSA-N 0 0 308.765 2.920 20 50 DFGDRN CCCCCC[C@@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825272315 607340347 /nfs/dbraw/zinc/34/03/47/607340347.db2.gz ZZFVIOGJGQHFIL-GFCCVEGCSA-N 0 0 316.409 2.916 20 50 DFGDRN CCCCCC[C@H](C)C(=O)NNc1ccc(-c2nn[nH]n2)cc1 ZINC000825272317 607340398 /nfs/dbraw/zinc/34/03/98/607340398.db2.gz ZZFVIOGJGQHFIL-LBPRGKRZSA-N 0 0 316.409 2.916 20 50 DFGDRN C[C@H]1CCC[C@@H](CC(=O)NNc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000824925970 607340420 /nfs/dbraw/zinc/34/04/20/607340420.db2.gz HWCLSZGPMOWCBW-NWDGAFQWSA-N 0 0 314.393 2.526 20 50 DFGDRN CCC(C[C@@H](C)CC)=NNC(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000736333502 598730614 /nfs/dbraw/zinc/73/06/14/598730614.db2.gz ACRQVZVSHQHMKX-NSHDSACASA-N 0 0 314.393 2.799 20 50 DFGDRN CCC(CC)C(=O)C(C#N)=Cc1ccc(-c2nn[nH]n2)cc1F ZINC000820893322 607457804 /nfs/dbraw/zinc/45/78/04/607457804.db2.gz NKTCTQBYKGVWGQ-NTUHNPAUSA-N 0 0 313.336 2.918 20 50 DFGDRN CCC(CC)(CC)C(=O)NNc1cccc(-c2nn[nH]n2)c1 ZINC000825090325 607724134 /nfs/dbraw/zinc/72/41/34/607724134.db2.gz WWGSVRSCPGAVIV-UHFFFAOYSA-N 0 0 302.382 2.526 20 50 DFGDRN CN(Cc1cccc(-c2nn[nH]n2)c1)C(=CC#N)c1ccccc1 ZINC000821612381 606183419 /nfs/dbraw/zinc/18/34/19/606183419.db2.gz SYNVRRRANQYFOB-LICLKQGHSA-N 0 0 316.368 2.863 20 50 DFGDRN N#CC(=Cc1ccc(-c2nn[nH]n2)s1)c1ccc([N+](=O)[O-])cc1 ZINC000822796241 606387412 /nfs/dbraw/zinc/38/74/12/606387412.db2.gz NJCYWHGNSUENLR-YFHOEESVSA-N 0 0 324.325 2.901 20 50 DFGDRN CCCCCCC=NNC(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000825271123 607887587 /nfs/dbraw/zinc/88/75/87/607887587.db2.gz HIMUQDSAMFTZGW-UHFFFAOYSA-N 0 0 300.366 2.553 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccn(C)c2)cc1 ZINC000081447009 398349393 /nfs/dbraw/zinc/34/93/93/398349393.db2.gz HCCFEQQDAHOXQN-YBEGLDIGSA-N 0 0 309.369 2.647 20 50 DFGDRN Cc1ccccc1C(=O)NNC(=O)NCC1(c2ccccc2)CC1 ZINC000010496674 398378381 /nfs/dbraw/zinc/37/83/81/398378381.db2.gz UBJDGDUOIQRVPC-UHFFFAOYSA-N 0 0 323.396 2.671 20 50 DFGDRN CCCCCNC(=O)/C(C#N)=C\c1ccccc1OCCOC ZINC000083022628 398381256 /nfs/dbraw/zinc/38/12/56/398381256.db2.gz IYHCZVYWVSOBLJ-SSZFMOIBSA-N 0 0 316.401 2.925 20 50 DFGDRN CC1(CNC(=O)NNC(=O)c2c[nH]c3ccccc23)CCCC1 ZINC000066600441 398387543 /nfs/dbraw/zinc/38/75/43/398387543.db2.gz OEDBPMWAIBLJBX-UHFFFAOYSA-N 0 0 314.389 2.692 20 50 DFGDRN CC(C)(C)c1ccc(SCC(=O)NNC(=O)C2CC2)cc1 ZINC000014290531 398390172 /nfs/dbraw/zinc/39/01/72/398390172.db2.gz DXLMYRLHHDJHPT-UHFFFAOYSA-N 0 0 306.431 2.634 20 50 DFGDRN CC(C)CC(C)(C)C(=O)NNC(=O)CCOc1ccccc1 ZINC000084589309 398405097 /nfs/dbraw/zinc/40/50/97/398405097.db2.gz KUYSHFNUSUKTDM-UHFFFAOYSA-N 0 0 306.406 2.675 20 50 DFGDRN Cc1ccc(C(=O)NNC(=O)COc2c(C)cccc2C)s1 ZINC000018070017 398405729 /nfs/dbraw/zinc/40/57/29/398405729.db2.gz MWKFAODNYFHDNZ-UHFFFAOYSA-N 0 0 318.398 2.513 20 50 DFGDRN COc1ccccc1C(=O)NNC(=O)[C@H]1CCCc2ccccc21 ZINC000067436043 398434783 /nfs/dbraw/zinc/43/47/83/398434783.db2.gz CWBGXIODGSNKJR-HNNXBMFYSA-N 0 0 324.380 2.576 20 50 DFGDRN CCOc1ccc(C(=O)NNC(=O)C[C@@H](C)C(C)C)cc1OC ZINC000067900277 398465565 /nfs/dbraw/zinc/46/55/65/398465565.db2.gz ODWGYIYBVKTFIQ-GFCCVEGCSA-N 0 0 322.405 2.537 20 50 DFGDRN O=C(CC1CCCCC1)NNC(=S)NCc1ccccc1 ZINC000028700616 398474967 /nfs/dbraw/zinc/47/49/67/398474967.db2.gz OIAHQGCHBTVGSI-UHFFFAOYSA-N 0 0 305.447 2.652 20 50 DFGDRN O=C(C=C(C1CC1)C1CC1)NNC(=O)CCCc1ccccc1 ZINC000068051862 398475727 /nfs/dbraw/zinc/47/57/27/398475727.db2.gz VIAIXSWMCYGMBJ-UHFFFAOYSA-N 0 0 312.413 2.903 20 50 DFGDRN CCOC(=O)NNC(=O)Nc1ccc(Cl)cc1-n1cccc1 ZINC000092761731 398600194 /nfs/dbraw/zinc/60/01/94/398600194.db2.gz OZQFMEWNRRRQPG-UHFFFAOYSA-N 0 0 322.752 2.913 20 50 DFGDRN CC(C)CCC[C@H](C)NC(=O)NNC(=O)c1ccccc1F ZINC000042930502 398607622 /nfs/dbraw/zinc/60/76/22/398607622.db2.gz KEIXHEFXDZIRPV-LBPRGKRZSA-N 0 0 309.385 2.985 20 50 DFGDRN CC[C@H](C)NC(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C)C2 ZINC000042844766 398604892 /nfs/dbraw/zinc/60/48/92/398604892.db2.gz UGINQPYCCXHRCU-ZJUUUORDSA-N 0 0 309.435 2.615 20 50 DFGDRN CC(C)Oc1ccc(CNC(=O)NNC(=O)OC(C)(C)C)cc1 ZINC000045641524 398679823 /nfs/dbraw/zinc/67/98/23/398679823.db2.gz BQKZKGAFHQEBHH-UHFFFAOYSA-N 0 0 323.393 2.713 20 50 DFGDRN Cc1nn(CCCl)c(C)c1C(=O)NCC#Cc1ccccc1 ZINC000074192780 398730666 /nfs/dbraw/zinc/73/06/66/398730666.db2.gz FPCCNYCLVDHAAQ-UHFFFAOYSA-N 0 0 315.804 2.520 20 50 DFGDRN C[C@H]1C[C@H]1CNC(=O)NNC(=O)c1cc2c(s1)CCCCC2 ZINC000047099376 398736598 /nfs/dbraw/zinc/73/65/98/398736598.db2.gz NYRCOVNSIQAIRQ-JQWIXIFHSA-N 0 0 321.446 2.617 20 50 DFGDRN CCCOc1ccc(NC(=O)NNC(=O)OC)cc1Cl ZINC000048123294 398773553 /nfs/dbraw/zinc/77/35/53/398773553.db2.gz LVOACQCLFDDZHJ-UHFFFAOYSA-N 0 0 301.730 2.521 20 50 DFGDRN CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)O)c1C ZINC000075236977 398792835 /nfs/dbraw/zinc/79/28/35/398792835.db2.gz JXLJISGDXHNMIE-YBEGLDIGSA-N 0 0 317.433 2.699 20 50 DFGDRN CC(C)CNC(=O)/C(C#N)=C/c1cccc2c1OCCCO2 ZINC000053106482 398863029 /nfs/dbraw/zinc/86/30/29/398863029.db2.gz QVBLEDHRASANJJ-NTEUORMPSA-N 0 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QVBLEDHRASANJJ-ZROIWOOFSA-N 0 0 300.358 2.527 20 50 DFGDRN Cc1ccc(/C=C/C(=O)NNC(=O)c2ccoc2)cc1Cl ZINC000061501095 399156760 /nfs/dbraw/zinc/15/67/60/399156760.db2.gz HSJRKCDGVBQNAR-SNAWJCMRSA-N 0 0 304.733 2.716 20 50 DFGDRN Cc1ccc(/C=C(\C#N)C(=O)Nc2ccn(C)n2)cc1Cl ZINC000194162028 399178151 /nfs/dbraw/zinc/17/81/51/399178151.db2.gz JYEWVOOUTLBNFD-KPKJPENVSA-N 0 0 300.749 2.928 20 50 DFGDRN CCc1nocc1/C=C(/C#N)C(=O)N(CC(F)(F)F)C1CC1 ZINC000491101442 269682039 /nfs/dbraw/zinc/68/20/39/269682039.db2.gz DXKMTOJLGATWOT-UITAMQMPSA-N 0 0 313.279 2.697 20 50 DFGDRN CNC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000491087451 269695234 /nfs/dbraw/zinc/69/52/34/269695234.db2.gz XHCSTITWIMAPRP-UQCOIBPSSA-N 0 0 300.101 2.555 20 50 DFGDRN CNC(=O)/C(C#N)=C\c1ccc2ccc(Br)cc2n1 ZINC000490813774 269695301 /nfs/dbraw/zinc/69/53/01/269695301.db2.gz REMZDYJJMACCNA-POHAHGRESA-N 0 0 316.158 2.650 20 50 DFGDRN CNC(=O)c1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1 ZINC000212804120 269698548 /nfs/dbraw/zinc/69/85/48/269698548.db2.gz HUXSBXNJYZJXLW-LFIBNONCSA-N 0 0 319.364 2.900 20 50 DFGDRN COCCOc1ccc(Cl)cc1C(=O)N1CC=C(C#N)CC1 ZINC000272674182 269741897 /nfs/dbraw/zinc/74/18/97/269741897.db2.gz LPPIESYCJYZIDZ-UHFFFAOYSA-N 0 0 320.776 2.661 20 50 DFGDRN COC[C@@H](C)NC(=O)/C(C#N)=C\c1ccccc1OCC1CC1 ZINC000490612442 269746517 /nfs/dbraw/zinc/74/65/17/269746517.db2.gz YZIFILGKNMDRHM-WPBJZHHJSA-N 0 0 314.385 2.533 20 50 DFGDRN CO[C@@H]([C@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1)C1CC1 ZINC000491005159 269758631 /nfs/dbraw/zinc/75/86/31/269758631.db2.gz ALKUTRZAVPYYPQ-SCVONLLVSA-N 0 0 302.349 2.662 20 50 DFGDRN COc1ccc(NC(=O)/C(C#N)=C/c2cccc3nccn32)cc1 ZINC000178942864 269785094 /nfs/dbraw/zinc/78/50/94/269785094.db2.gz CPTJFLAVADGMPO-ACCUITESSA-N 0 0 318.336 2.889 20 50 DFGDRN C[C@@]1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CCCC[C@H]1O ZINC000183449002 269867188 /nfs/dbraw/zinc/86/71/88/269867188.db2.gz RNUNLWAORFELEE-XVAUXJJVSA-N 0 0 316.376 2.790 20 50 DFGDRN Cc1c(/C=C(/C#N)C(=O)N2CC[C@H](C)[C@H](C)C2)cc(C#N)n1C ZINC000179825371 269900860 /nfs/dbraw/zinc/90/08/60/269900860.db2.gz WYGRSDXUYNBMKA-QKCYPBQPSA-N 0 0 310.401 2.617 20 50 DFGDRN Cc1cc(C(=O)N2CC=C(C#N)CC2)nn1-c1ccc(C)cc1 ZINC000272715759 269909756 /nfs/dbraw/zinc/90/97/56/269909756.db2.gz YTBZDRRPXPNQNM-UHFFFAOYSA-N 0 0 306.369 2.785 20 50 DFGDRN Cc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)cn1 ZINC000182737918 269917255 /nfs/dbraw/zinc/91/72/55/269917255.db2.gz TVICUYNWQSWJQB-YBEGLDIGSA-N 0 0 309.344 2.795 20 50 DFGDRN Cn1cc(/C=C(\C#N)C(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cn1 ZINC000491085295 269934007 /nfs/dbraw/zinc/93/40/07/269934007.db2.gz QCKULKVXEILMKH-LTADGZNESA-N 0 0 312.417 2.802 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@H](CCO)CC1 ZINC000491009806 269938045 /nfs/dbraw/zinc/93/80/45/269938045.db2.gz KVMJNNPZSZHXEV-QXPQOBGOSA-N 0 0 316.376 2.744 20 50 DFGDRN N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000490842074 269938091 /nfs/dbraw/zinc/93/80/91/269938091.db2.gz KIOXVPNJSFYJHK-MKRLJBPISA-N 0 0 324.359 2.862 20 50 DFGDRN N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCc2ccc(O)cc2C1 ZINC000491048953 269939280 /nfs/dbraw/zinc/93/92/80/269939280.db2.gz MCQHTNLLUABOFW-DHDCSXOGSA-N 0 0 320.348 2.590 20 50 DFGDRN N#C/C(=C\c1cocn1)C(=O)Nc1ccccc1Br ZINC000491079859 269943591 /nfs/dbraw/zinc/94/35/91/269943591.db2.gz BTXHBUVXSKYYMW-WEVVVXLNSA-N 0 0 318.130 2.983 20 50 DFGDRN N#C/C=C(/c1ccc(F)cc1)N1CCCN(C(=O)C2CC2)CC1 ZINC000121167883 269997710 /nfs/dbraw/zinc/99/77/10/269997710.db2.gz MEBJFTDLGNZLSF-IUXPMGMMSA-N 0 0 313.376 2.634 20 50 DFGDRN CCc1cccc(Cl)c1/C=C(/C#N)C(=O)NCCCOC ZINC000490699300 270002347 /nfs/dbraw/zinc/00/23/47/270002347.db2.gz SUKLXIPITQOUBK-RAXLEYEMSA-N 0 0 306.793 2.962 20 50 DFGDRN CCc1cnc(/C=C(/C#N)C(=O)NCCc2ccccc2)s1 ZINC000490843582 270002396 /nfs/dbraw/zinc/00/23/96/270002396.db2.gz OKGNIVYMSRHRCO-UVTDQMKNSA-N 0 0 311.410 2.971 20 50 DFGDRN CCCn1cc(/C=C(\C#N)C(=O)N(C)Cc2ccccc2)cn1 ZINC000490695233 270002409 /nfs/dbraw/zinc/00/24/09/270002409.db2.gz MMVBDUIQQZHJJN-LICLKQGHSA-N 0 0 308.385 2.859 20 50 DFGDRN C[C@@H]1CC(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)C[C@H](C)O1 ZINC000490876356 270002467 /nfs/dbraw/zinc/00/24/67/270002467.db2.gz JYFIZZSNPSCKIL-ZXYVDNPPSA-N 0 0 314.385 2.619 20 50 DFGDRN CN(CCOCC1CC1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1 ZINC000088601107 264898712 /nfs/dbraw/zinc/89/87/12/264898712.db2.gz XQKKLSVSXNCZDX-LZYBPNLTSA-N 0 0 301.346 2.818 20 50 DFGDRN CC(C)CC(=O)NNC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000273432529 265786431 /nfs/dbraw/zinc/78/64/31/265786431.db2.gz LHRAIOUYQDTXPP-UHFFFAOYSA-N 0 0 318.377 2.544 20 50 DFGDRN CC(C)CCC(=O)NNC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000182889679 265787889 /nfs/dbraw/zinc/78/78/89/265787889.db2.gz ZYBFGGHKJQOHRT-UHFFFAOYSA-N 0 0 308.769 2.801 20 50 DFGDRN CCC1(CNC(=O)/C(C#N)=C/c2cc(C#N)n(C)c2C)CCC1 ZINC000176260486 266013621 /nfs/dbraw/zinc/01/36/21/266013621.db2.gz BALADDYBIAPKCV-OVCLIPMQSA-N 0 0 310.401 2.809 20 50 DFGDRN CCCCCCOc1ccc(C(=O)NNC=C(C#N)C#N)cc1 ZINC000153330713 266025488 /nfs/dbraw/zinc/02/54/88/266025488.db2.gz MNYQOMRSAGPUGU-UHFFFAOYSA-N 0 0 312.373 2.811 20 50 DFGDRN CCCCNC(=O)/C(C#N)=C/c1c(OC)cc(OC)cc1OC ZINC000298648598 266032048 /nfs/dbraw/zinc/03/20/48/266032048.db2.gz BHDMECBDAZPRMI-XYOKQWHBSA-N 0 0 318.373 2.536 20 50 DFGDRN CCCCNC(=O)/C(C#N)=C\c1cccc(Br)n1 ZINC000272130337 266035238 /nfs/dbraw/zinc/03/52/38/266035238.db2.gz WCUGXBBRVBWXPF-NTMALXAHSA-N 0 0 308.179 2.667 20 50 DFGDRN CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCCO)c1C ZINC000194962295 266041169 /nfs/dbraw/zinc/04/11/69/266041169.db2.gz CFOJLMUHJKAYCX-SFQUDFHCSA-N 0 0 317.433 2.701 20 50 DFGDRN CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCC[C@@H](C)O)c1C ZINC000172344063 266042074 /nfs/dbraw/zinc/04/20/74/266042074.db2.gz RQEBAOHZASDLBE-SWEABUAFSA-N 0 0 317.433 2.699 20 50 DFGDRN CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(=O)CC)c1C ZINC000274323501 266042180 /nfs/dbraw/zinc/04/21/80/266042180.db2.gz AZJSZWMKSSUYDT-MHWRWJLKSA-N 0 0 315.417 2.907 20 50 DFGDRN CCCN(NC(=O)c1cc(C#N)oc1C)C(=O)OC(C)(C)C ZINC000286095040 266052852 /nfs/dbraw/zinc/05/28/52/266052852.db2.gz CMBUVSDRDZVISC-UHFFFAOYSA-N 0 0 307.350 2.752 20 50 DFGDRN CCC[C@H](C)C(=O)/C(C#N)=C\c1cn(Cc2cccnc2)nn1 ZINC000181449130 266075789 /nfs/dbraw/zinc/07/57/89/266075789.db2.gz WWRCFGHRKRBIHZ-PBTLCFMXSA-N 0 0 309.373 2.634 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](O)C(C)C)c1C ZINC000268596784 266086812 /nfs/dbraw/zinc/08/68/12/266086812.db2.gz GYPHQIXXVDGKJC-NDCSFFLDSA-N 0 0 317.433 2.555 20 50 DFGDRN CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H]2CCOC2)c1C ZINC000298366357 266087231 /nfs/dbraw/zinc/08/72/31/266087231.db2.gz CXBZJWNBEDXLOM-GFHWABCWSA-N 0 0 315.417 2.575 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N1CCC[C@@H]1c1cccc(OC)c1 ZINC000158732065 266175102 /nfs/dbraw/zinc/17/51/02/266175102.db2.gz UQRZYASFVLYAQZ-OBEJXRGXSA-N 0 0 300.358 2.803 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N1CCC[C@H]1Cc1ccccc1OC ZINC000159235664 266175339 /nfs/dbraw/zinc/17/53/39/266175339.db2.gz SBLZMQWYGFMQSE-KGAUPUERSA-N 0 0 314.385 2.673 20 50 DFGDRN CCO/C=C(/C#N)C(=O)NCCCO[C@H](C)c1ccccc1 ZINC000158675886 266177763 /nfs/dbraw/zinc/17/77/63/266177763.db2.gz KULXPXAVTLNBRS-UMWKZLPKSA-N 0 0 302.374 2.714 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N1CCCC[C@H]1c1ncc(C)s1 ZINC000371260619 266195182 /nfs/dbraw/zinc/19/51/82/266195182.db2.gz PAZNMZUVSUJDBL-XSNHNAGMSA-N 0 0 305.403 2.949 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N1CC[C@H](Cc2ccc(F)c(F)c2)C1 ZINC000376296548 266204884 /nfs/dbraw/zinc/20/48/84/266204884.db2.gz QNWVVHUKUHASQI-MBFWDRTGSA-N 0 0 320.339 2.800 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@@H](c1ccccc1)c1ccncc1 ZINC000179045746 266222126 /nfs/dbraw/zinc/22/21/26/266222126.db2.gz COXXZRPVTXBKLJ-MAUBAPBLSA-N 0 0 307.353 2.731 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@@H]1CCCc2c(F)cc(F)cc21 ZINC000295553352 266223892 /nfs/dbraw/zinc/22/38/92/266223892.db2.gz DTRCBXAQHRGUOF-BOLDSZDNSA-N 0 0 306.312 2.902 20 50 DFGDRN CCOC=C(C#N)C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C ZINC000178956265 266228094 /nfs/dbraw/zinc/22/80/94/266228094.db2.gz HUTRVNYMCCEQIK-PABFRNLHSA-N 0 0 312.373 2.820 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@H]1CCCOc2c(F)cccc21 ZINC000183310962 266228855 /nfs/dbraw/zinc/22/88/55/266228855.db2.gz YFUGWPYAPVBBEN-VNDWYCCKSA-N 0 0 304.321 2.600 20 50 DFGDRN CCO[C@@H]1C[C@H](O)C12CCN(/C(=C/C#N)c1ccccc1)CC2 ZINC000267506373 266299368 /nfs/dbraw/zinc/29/93/68/266299368.db2.gz OSRBLODFXNQZIC-SXCOKSGKSA-N 0 0 312.413 2.803 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCCOC2)cc1 ZINC000194862329 266317077 /nfs/dbraw/zinc/31/70/77/266317077.db2.gz VOZPWRKRVYXIJX-BMANGOCTSA-N 0 0 314.385 2.535 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CCOC)cc1 ZINC000170628659 266319692 /nfs/dbraw/zinc/31/96/92/266319692.db2.gz XSMXKBBRZTYDFF-JMRXEAOASA-N 0 0 302.374 2.533 20 50 DFGDRN CCSc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)COC)c1 ZINC000184544613 266348608 /nfs/dbraw/zinc/34/86/08/266348608.db2.gz RTLIGVSWLHOGQQ-ACLQVGRQSA-N 0 0 304.415 2.857 20 50 DFGDRN CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(OC)c2c(c1)OCCO2 ZINC000263663916 266351620 /nfs/dbraw/zinc/35/16/20/266351620.db2.gz KMAZQUYQYLLAKB-NUBYWOLOSA-N 0 0 301.342 2.989 20 50 DFGDRN CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(OC(C)C)c(C#N)c1 ZINC000183304455 266354653 /nfs/dbraw/zinc/35/46/53/266354653.db2.gz POSIVMZXMLGYHP-LLVKDONJSA-N 0 0 318.377 2.544 20 50 DFGDRN CC[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000183770193 266404809 /nfs/dbraw/zinc/40/48/09/266404809.db2.gz AHCKDBGEGNJFCP-UPUWXQQRSA-N 0 0 302.349 2.806 20 50 DFGDRN CC[C@H]1CN(/C(=C/C#N)c2ccc(F)cc2)C[C@@]2(CCOC2)O1 ZINC000373804690 266419726 /nfs/dbraw/zinc/41/97/26/266419726.db2.gz KQBQPGLNCNQOSW-RITLMADDSA-N 0 0 316.376 2.960 20 50 DFGDRN CNC(=O)/C(C#N)=C\c1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000179162278 266609985 /nfs/dbraw/zinc/60/99/85/266609985.db2.gz IYMIJGUCGDOELP-GDNBJRDFSA-N 0 0 322.412 2.882 20 50 DFGDRN COCCOC(=O)/C(C#N)=C\c1ccc(C)c(Br)c1 ZINC000179773107 266696640 /nfs/dbraw/zinc/69/66/40/266696640.db2.gz RIRVHFSKLQTVQC-GHXNOFRVSA-N 0 0 324.174 2.854 20 50 DFGDRN C=CCCC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C ZINC000490942331 266816782 /nfs/dbraw/zinc/81/67/82/266816782.db2.gz NTABEYHRXDUYDT-WPBJZHHJSA-N 0 0 310.401 2.973 20 50 DFGDRN C=Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(OCC)cc2)cn1 ZINC000491131959 266834903 /nfs/dbraw/zinc/83/49/03/266834903.db2.gz MCCPYLZGUQJXEB-ZROIWOOFSA-N 0 0 308.341 2.928 20 50 DFGDRN CCCCCCNC(=O)/C(C#N)=C/c1ncc(COC)s1 ZINC000490944117 267000530 /nfs/dbraw/zinc/00/05/30/267000530.db2.gz VKYUWFLYKXVIQU-XYOKQWHBSA-N 0 0 307.419 2.893 20 50 DFGDRN CCCCNC(=O)/C(C#N)=C\c1ccccc1-c1ccnn1C ZINC000491047679 267008409 /nfs/dbraw/zinc/00/84/09/267008409.db2.gz JCQRZCHALQHZEF-QINSGFPZSA-N 0 0 308.385 2.910 20 50 DFGDRN CCCCNC(=O)/C(C#N)=C\c1ncc(C(F)(F)F)s1 ZINC000491012137 267009026 /nfs/dbraw/zinc/00/90/26/267009026.db2.gz QIZHIPCDZDEGGT-YVMONPNESA-N 0 0 303.309 2.985 20 50 DFGDRN CCCN(NC(=O)c1cccc(F)c1C#N)C(=O)OC(C)(C)C ZINC000495825902 267017614 /nfs/dbraw/zinc/01/76/14/267017614.db2.gz BFHXTLVKJUWZSQ-UHFFFAOYSA-N 0 0 321.352 2.989 20 50 DFGDRN CCCNC(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)s1 ZINC000490944690 267022457 /nfs/dbraw/zinc/02/24/57/267022457.db2.gz XMWHIQGNKITMRH-XFFZJAGNSA-N 0 0 300.387 2.582 20 50 DFGDRN CCCNC(=O)/C(C#N)=C\c1ccc(OC)cc1Br ZINC000491102129 267022665 /nfs/dbraw/zinc/02/26/65/267022665.db2.gz GYCZSXPOEFMKRF-XFFZJAGNSA-N 0 0 323.190 2.891 20 50 DFGDRN CCC[C@@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)C1CCCC1 ZINC000491050255 267033608 /nfs/dbraw/zinc/03/36/08/267033608.db2.gz PJWMPXIDXUDXDL-QOBZYLRHSA-N 0 0 300.406 2.802 20 50 DFGDRN C[C@@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC(C)(C)O1 ZINC000266907199 267033628 /nfs/dbraw/zinc/03/36/28/267033628.db2.gz ZGNDSXLQQZKBMB-IWTIEGKHSA-N 0 0 301.346 2.959 20 50 DFGDRN CCC[C@](C)(O)CNC(=O)/C(C#N)=C/c1ccc(OCC)cc1 ZINC000490665083 267039304 /nfs/dbraw/zinc/03/93/04/267039304.db2.gz YDXLTNWUEQHPSK-OTMARIDSSA-N 0 0 316.401 2.660 20 50 DFGDRN CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCOCC2)c1C ZINC000490611790 267043983 /nfs/dbraw/zinc/04/39/83/267043983.db2.gz UVNYUKLAQVWKBA-ATVHPVEESA-N 0 0 315.417 2.671 20 50 DFGDRN CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C[C@@H](C)OC)c1C ZINC000490944990 267044261 /nfs/dbraw/zinc/04/42/61/267044261.db2.gz YYYKPLIZKWLEFW-AYCSXLNKSA-N 0 0 317.433 2.915 20 50 DFGDRN CCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@@H](F)[C@@H](F)C2)c1C ZINC000491048306 267045272 /nfs/dbraw/zinc/04/52/72/267045272.db2.gz KUDXELCNWMUXDU-CCPCPTLASA-N 0 0 321.371 2.940 20 50 DFGDRN CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(COC)CC2)c1C ZINC000490755240 267045530 /nfs/dbraw/zinc/04/55/30/267045530.db2.gz SDYUNHKUYHARQI-YBEGLDIGSA-N 0 0 315.417 2.717 20 50 DFGDRN CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](CC)OC)c1C ZINC000491012393 267047060 /nfs/dbraw/zinc/04/70/60/267047060.db2.gz QZVOOMGEHZVJHZ-RNIVLKNTSA-N 0 0 317.433 2.963 20 50 DFGDRN CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)C[C@@H](C)O)c1C ZINC000490841583 267048063 /nfs/dbraw/zinc/04/80/63/267048063.db2.gz IYAHRQOQCZMNIO-IWQBKFTHSA-N 0 0 317.433 2.698 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N1CCCCc2cc(OC)ccc21 ZINC000490815184 267076756 /nfs/dbraw/zinc/07/67/56/267076756.db2.gz ZZHPODZXECSJCK-OWBHPGMISA-N 0 0 300.358 2.808 20 50 DFGDRN CCO/C=C(/C#N)C(=O)NCCc1ccccc1Br ZINC000491158542 267088008 /nfs/dbraw/zinc/08/80/08/267088008.db2.gz FQWBDEJFTJFTPL-BENRWUELSA-N 0 0 323.190 2.552 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@@H]1CCc2cc(F)c(F)c(F)c21 ZINC000491134270 267095364 /nfs/dbraw/zinc/09/53/64/267095364.db2.gz RHGZWNQKCFQVAE-GXMKHXEJSA-N 0 0 310.275 2.651 20 50 DFGDRN CCO/C=C(/C#N)C(=O)N[C@H]1C[C@H](c2ccc(OC)c(F)c2)C1 ZINC000490943116 267096189 /nfs/dbraw/zinc/09/61/89/267096189.db2.gz QNJQCMDCYDBMDO-OGWWKIDGSA-N 0 0 318.348 2.640 20 50 DFGDRN CCO/C=C(/C#N)C(=O)Nc1cnn(CCC(C)C)c1CC ZINC000491176225 267103528 /nfs/dbraw/zinc/10/35/28/267103528.db2.gz OHPQSJDTGZPIRE-QBFSEMIESA-N 0 0 304.394 2.874 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@H](C)[C@@H](OC)c1ccccc1Cl ZINC000490811882 267107691 /nfs/dbraw/zinc/10/76/91/267107691.db2.gz HWZSNQCBAZMGKZ-CSUUCDFFSA-N 0 0 322.792 2.976 20 50 DFGDRN CCO/C=C(\C#N)C(=O)N[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000490698227 267107694 /nfs/dbraw/zinc/10/76/94/267107694.db2.gz RQFUIPNGJJCFOP-ZMUOKHCPSA-N 0 0 322.311 2.704 20 50 DFGDRN CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2C[C@@H]2C(F)F)cc1 ZINC000490937599 267158573 /nfs/dbraw/zinc/15/85/73/267158573.db2.gz DGSFYPDTCRKYES-YYPKPTOCSA-N 0 0 306.312 2.762 20 50 DFGDRN CCOc1ccc(/C=C(\C#N)C(=O)NCCC[C@@H](C)CO)cc1 ZINC000490814478 267160648 /nfs/dbraw/zinc/16/06/48/267160648.db2.gz VLJFMGUCQLEPOE-DSQDWWTGSA-N 0 0 316.401 2.517 20 50 DFGDRN CCOc1ccc(NC(=O)/C(C#N)=C\c2cnn(C)c2C)cc1 ZINC000490781713 267171170 /nfs/dbraw/zinc/17/11/70/267171170.db2.gz CKMYWSRLHKOZJY-LCYFTJDESA-N 0 0 310.357 2.673 20 50 DFGDRN C[C@H]1CC(=O)CC[C@@H]1C(=O)NNc1ccc(C#N)c(Cl)c1 ZINC000182332752 267209815 /nfs/dbraw/zinc/20/98/15/267209815.db2.gz DHUDIEIXWSDKLA-ZANVPECISA-N 0 0 305.765 2.660 20 50 DFGDRN CC[C@H](NC(=O)/C(C#N)=C\c1cnn(C)c1)c1ccc(OC)cc1 ZINC000490977263 267216431 /nfs/dbraw/zinc/21/64/31/267216431.db2.gz 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