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/nfs/dbraw/zinc/67/55/76/588675576.db2.gz DWZHXOYKOYEVAP-NSHDSACASA-N 0 1 223.320 0.601 20 30 BCEDMN N#CCCCN1CC[C@H](N2CCOC2=O)C1 ZINC000852433133 588682461 /nfs/dbraw/zinc/68/24/61/588682461.db2.gz SQEQQHIJFYQZFF-JTQLQIEISA-N 0 1 223.276 0.817 20 30 BCEDMN C#CCNC(=O)CC[N@H+](CCF)CCOC ZINC000852479642 588683227 /nfs/dbraw/zinc/68/32/27/588683227.db2.gz HWHCPGLMIDWWGR-UHFFFAOYSA-N 0 1 230.283 0.044 20 30 BCEDMN C#CCNC(=O)CCN(CCF)CCOC ZINC000852479642 588683228 /nfs/dbraw/zinc/68/32/28/588683228.db2.gz HWHCPGLMIDWWGR-UHFFFAOYSA-N 0 1 230.283 0.044 20 30 BCEDMN C=CC[N@H+](CCS(N)(=O)=O)C(C)(C)C ZINC000852554571 588689675 /nfs/dbraw/zinc/68/96/75/588689675.db2.gz RRFSGBZBTBOGOD-UHFFFAOYSA-N 0 1 220.338 0.561 20 30 BCEDMN C=CCN(CCS(N)(=O)=O)C(C)(C)C ZINC000852554571 588689676 /nfs/dbraw/zinc/68/96/76/588689676.db2.gz RRFSGBZBTBOGOD-UHFFFAOYSA-N 0 1 220.338 0.561 20 30 BCEDMN N#CCCNC(=O)CN1CC[C@@H]2C[C@@H]2C1 ZINC000852633690 588693347 /nfs/dbraw/zinc/69/33/47/588693347.db2.gz CROKYYTXDYZUNX-NXEZZACHSA-N 0 1 207.277 0.358 20 30 BCEDMN CO[C@H](C(=O)N[C@@H]1CNC[C@@H]1C#N)C1CCC1 ZINC000852827094 588706118 /nfs/dbraw/zinc/70/61/18/588706118.db2.gz BINACFSNFLRUOL-AXFHLTTASA-N 0 1 237.303 0.029 20 30 BCEDMN C/C(=C/C(=O)N[C@@H]1CNC[C@H]1C#N)c1ccco1 ZINC000852827152 588706266 /nfs/dbraw/zinc/70/62/66/588706266.db2.gz CEJBOEYEZTZSKI-XFDQCWFDSA-N 0 1 245.282 0.911 20 30 BCEDMN C[C@H](Cc1ccco1)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000852827526 588706397 /nfs/dbraw/zinc/70/63/97/588706397.db2.gz KBHGPZXLKMLJFG-JFGNBEQYSA-N 0 1 247.298 0.686 20 30 BCEDMN N#C[C@@H]1CNC[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000852827583 588706462 /nfs/dbraw/zinc/70/64/62/588706462.db2.gz LKRQYRAIFAAHSE-ZKKRXERASA-N 0 1 219.288 0.260 20 30 BCEDMN CSC(C)(C)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000852875158 588710111 /nfs/dbraw/zinc/71/01/11/588710111.db2.gz FWJHGPYDKSXASN-JGVFFNPUSA-N 0 1 227.333 0.356 20 30 BCEDMN C#CCCCCNC(=O)NC[C@H]1COCCN1 ZINC000861609743 589170344 /nfs/dbraw/zinc/17/03/44/589170344.db2.gz PBXWMIZVCJQSHE-NSHDSACASA-N 0 1 239.319 0.078 20 30 BCEDMN C#C[C@H](CCC)NC(=O)NC[C@H]1COCCN1 ZINC000861683856 589174527 /nfs/dbraw/zinc/17/45/27/589174527.db2.gz BVFPNRUVWFPBHL-MNOVXSKESA-N 0 1 239.319 0.076 20 30 BCEDMN C=C(CN(C)C)C(=O)NCC(=O)C1CCCC1 ZINC000863057859 589252947 /nfs/dbraw/zinc/25/29/47/589252947.db2.gz HUIAPCQKDBSVAR-UHFFFAOYSA-N 0 1 238.331 0.980 20 30 BCEDMN COc1ccnc(C(C)=NNC2=NC[C@H](C)N2)c1 ZINC000863104840 589256409 /nfs/dbraw/zinc/25/64/09/589256409.db2.gz FVAWHDNKJFUVKA-QMMMGPOBSA-N 0 1 247.302 0.752 20 30 BCEDMN Cc1cc(C=NNC2=NC[C@@H](C)N2)ccn1 ZINC000863105672 589256728 /nfs/dbraw/zinc/25/67/28/589256728.db2.gz XHQWIWKEOIJKHW-SECBINFHSA-N 0 1 217.276 0.661 20 30 BCEDMN Cc1cnccc1NN=C1C(=O)OC[C@H]1C ZINC000863158349 589263805 /nfs/dbraw/zinc/26/38/05/589263805.db2.gz YIKOFXOIVPKUDR-MRVPVSSYSA-N 0 1 219.244 0.773 20 30 BCEDMN C#CC[C@H](CCOC)NC(=O)[C@@H]1CC1[N+](=O)[O-] ZINC000863779504 589316853 /nfs/dbraw/zinc/31/68/53/589316853.db2.gz OSJIMEFRNGBLDS-OPRDCNLKSA-N 0 1 240.259 0.196 20 30 BCEDMN C#CC[C@H](CCOC)NC(=O)Cc1cc(C)n[nH]1 ZINC000863785821 589318263 /nfs/dbraw/zinc/31/82/63/589318263.db2.gz NXOBEKWMPOZPOB-LLVKDONJSA-N 0 1 249.314 0.805 20 30 BCEDMN C#CC[C@@H](COC)NC(=O)CN(CC)C1CC1 ZINC000863803601 589319889 /nfs/dbraw/zinc/31/98/89/589319889.db2.gz SPASZXMRNZUEQM-NSHDSACASA-N 0 1 238.331 0.625 20 30 BCEDMN C#CC[C@@H](COC)NC(=O)[C@H](C)Cc1cnc[nH]1 ZINC000863807005 589320691 /nfs/dbraw/zinc/32/06/91/589320691.db2.gz WKLFYWSGCAGNBX-MNOVXSKESA-N 0 1 249.314 0.743 20 30 BCEDMN C#C[C@@H]1COCCN1C(=O)C[N@H+](C)C1CCC1 ZINC000863926351 589326784 /nfs/dbraw/zinc/32/67/84/589326784.db2.gz WRCCFJWXLXIFOP-LLVKDONJSA-N 0 1 236.315 0.331 20 30 BCEDMN C=CCN(CC=C)C(=O)[C@H](O)c1c[nH]cn1 ZINC000864413610 589360165 /nfs/dbraw/zinc/36/01/65/589360165.db2.gz QVZGFOKLWMIHQW-SNVBAGLBSA-N 0 1 221.260 0.644 20 30 BCEDMN CC(C)N(CCC#N)C(=O)[C@@H](O)c1c[nH]cn1 ZINC000865081947 589407771 /nfs/dbraw/zinc/40/77/71/589407771.db2.gz NPRKGCXSIARYGF-JTQLQIEISA-N 0 1 236.275 0.594 20 30 BCEDMN C[C@@H](CC#N)N(C)C(=O)[C@@H](O)c1c[nH]cn1 ZINC000865164455 589412357 /nfs/dbraw/zinc/41/23/57/589412357.db2.gz FMKWRRSXVSGBNR-CBAPKCEASA-N 0 1 222.248 0.204 20 30 BCEDMN C#CCNC(=O)N1CCNC[C@@H]1C(C)C ZINC000865343498 589422857 /nfs/dbraw/zinc/42/28/57/589422857.db2.gz LAFPDQDEWDASRC-SNVBAGLBSA-N 0 1 209.293 0.259 20 30 BCEDMN C#C[C@H](CO)Nc1ccncc1C(F)(F)F ZINC000865850396 589464937 /nfs/dbraw/zinc/46/49/37/589464937.db2.gz XQLPPOPLSOZBOQ-SSDOTTSWSA-N 0 1 230.189 0.928 20 30 BCEDMN N#CCN(C(=O)[C@H](O)c1c[nH]cn1)C1CCCC1 ZINC000865985189 589471299 /nfs/dbraw/zinc/47/12/99/589471299.db2.gz LWAFXURKADQAEO-LLVKDONJSA-N 0 1 248.286 0.738 20 30 BCEDMN C#CCN(C(=O)[C@H](O)c1c[nH]cn1)C1CCCC1 ZINC000866511116 589498513 /nfs/dbraw/zinc/49/85/13/589498513.db2.gz MXEFACOFWSTBLT-GFCCVEGCSA-N 0 1 247.298 0.848 20 30 BCEDMN C#C[C@H](CCC)NC(=O)Cc1nnc[nH]1 ZINC000867762254 589533366 /nfs/dbraw/zinc/53/33/66/589533366.db2.gz ZTGJJTNHRZLZIX-MRVPVSSYSA-N 0 1 206.249 0.265 20 30 BCEDMN C#C[C@@H](CC)NC(=O)CCc1c[nH]nn1 ZINC000867771676 589533682 /nfs/dbraw/zinc/53/36/82/589533682.db2.gz CMWBOMRIQLCXQW-QMMMGPOBSA-N 0 1 206.249 0.265 20 30 BCEDMN C#C[C@@H](CC)NC(=O)CCc1cnn[nH]1 ZINC000867771676 589533683 /nfs/dbraw/zinc/53/36/83/589533683.db2.gz CMWBOMRIQLCXQW-QMMMGPOBSA-N 0 1 206.249 0.265 20 30 BCEDMN C#CC1CCN(C(=O)CCc2c[nH]nn2)CC1 ZINC000869083598 589586105 /nfs/dbraw/zinc/58/61/05/589586105.db2.gz OBENZTIVBNJRBZ-UHFFFAOYSA-N 0 1 232.287 0.609 20 30 BCEDMN C#CC1CCN(C(=O)CCc2cnn[nH]2)CC1 ZINC000869083598 589586107 /nfs/dbraw/zinc/58/61/07/589586107.db2.gz OBENZTIVBNJRBZ-UHFFFAOYSA-N 0 1 232.287 0.609 20 30 BCEDMN C#CC[C@@H]1CCN(C(=O)[C@@H](O)c2c[nH]cn2)C1 ZINC000869393601 589602983 /nfs/dbraw/zinc/60/29/83/589602983.db2.gz OCZLKOJDRBYGGT-KOLCDFICSA-N 0 1 233.271 0.315 20 30 BCEDMN C=C[C@H](OC(=O)[C@H](C(C)C)N(C)C)C(=O)OC ZINC000870532536 589671849 /nfs/dbraw/zinc/67/18/49/589671849.db2.gz WTGUTMRBNMDZON-UWVGGRQHSA-N 0 1 243.303 0.843 20 30 BCEDMN Cc1nn[nH]c1C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000870672085 589682412 /nfs/dbraw/zinc/68/24/12/589682412.db2.gz VEPWBJSCASSJDJ-DTWKUNHWSA-N 0 1 233.275 0.877 20 30 BCEDMN Cc1cnc(F)c(C(=O)N[C@@H]2CNC[C@H]2C#N)c1 ZINC000870941628 589699659 /nfs/dbraw/zinc/69/96/59/589699659.db2.gz XEZWTAAHHVVUJU-PSASIEDQSA-N 0 1 248.261 0.371 20 30 BCEDMN C#CCOCCN(C)[C@H]1CCCCN(C)C1=O ZINC000872266328 589903138 /nfs/dbraw/zinc/90/31/38/589903138.db2.gz UROXUVWKROXUJK-LBPRGKRZSA-N 0 1 238.331 0.579 20 30 BCEDMN C[C@@H]1C(N=Nc2nccn(C)c2=O)CCN1C ZINC000872355345 589916868 /nfs/dbraw/zinc/91/68/68/589916868.db2.gz TWVHLXBNCPGFDP-MRVPVSSYSA-N 0 1 235.291 0.272 20 30 BCEDMN C[C@H]1C(N=Nc2ccc(C(N)=O)nn2)CCN1C ZINC000872356230 589917379 /nfs/dbraw/zinc/91/73/79/589917379.db2.gz FYVUNFDIOBYCFT-ZETCQYMHSA-N 0 1 248.290 0.067 20 30 BCEDMN NC(=O)CON=C1CCC[N@H+]2CCSC[C@@H]12 ZINC000872362062 589919503 /nfs/dbraw/zinc/91/95/03/589919503.db2.gz CECBFTIQWHWFNI-VIFPVBQESA-N 0 1 243.332 0.056 20 30 BCEDMN NC(=O)CON=C1CCCN2CCSC[C@@H]12 ZINC000872362062 589919504 /nfs/dbraw/zinc/91/95/04/589919504.db2.gz CECBFTIQWHWFNI-VIFPVBQESA-N 0 1 243.332 0.056 20 30 BCEDMN COc1nscc1C=NNC1=NC[C@H](C)N1 ZINC000872364784 589920835 /nfs/dbraw/zinc/92/08/35/589920835.db2.gz UEGOPKRZYLSOEZ-LURJTMIESA-N 0 1 239.304 0.423 20 30 BCEDMN CC[C@@H](O)CNN=Cc1c(C)ccnc1N ZINC000872375315 589924965 /nfs/dbraw/zinc/92/49/65/589924965.db2.gz YZESQWHQVASLPO-SECBINFHSA-N 0 1 222.292 0.667 20 30 BCEDMN C(=NNC1=NCCN1)c1cn(C2CC2)cn1 ZINC000872385213 589929165 /nfs/dbraw/zinc/92/91/65/589929165.db2.gz BFEQEIDRAMVGRI-UHFFFAOYSA-N 0 1 218.264 0.101 20 30 BCEDMN CCC[C@H](C#N)NC(=O)CN1CCCC1 ZINC000874262843 590100620 /nfs/dbraw/zinc/10/06/20/590100620.db2.gz MBNFUYSKRZQDCW-SNVBAGLBSA-N 0 1 209.293 0.891 20 30 BCEDMN C[C@H](CC#N)N(C)C(=O)CN1CCCC1 ZINC000874357867 590105665 /nfs/dbraw/zinc/10/56/65/590105665.db2.gz GOIWXHIFSAKFBS-SNVBAGLBSA-N 0 1 209.293 0.843 20 30 BCEDMN N#CCCCCNC(=O)CN1CCCC1 ZINC000874371239 590106404 /nfs/dbraw/zinc/10/64/04/590106404.db2.gz PMORHMNAQRJJNX-UHFFFAOYSA-N 0 1 209.293 0.892 20 30 BCEDMN N#C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C1CC1 ZINC000874447381 590110982 /nfs/dbraw/zinc/11/09/82/590110982.db2.gz BSNDVFJFZJSYFR-OPRDCNLKSA-N 0 1 230.271 0.932 20 30 BCEDMN C#C[C@H]1CC[C@H](NC(=O)c2ncn[nH]2)CC1 ZINC000874861619 590149754 /nfs/dbraw/zinc/14/97/54/590149754.db2.gz RKGXQBHGZJLYRG-KYZUINATSA-N 0 1 218.260 0.727 20 30 BCEDMN C#C[C@H]1CC[C@H](NC(=O)c2nc[nH]n2)CC1 ZINC000874861619 590149755 /nfs/dbraw/zinc/14/97/55/590149755.db2.gz RKGXQBHGZJLYRG-KYZUINATSA-N 0 1 218.260 0.727 20 30 BCEDMN CNC(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876599254 590220140 /nfs/dbraw/zinc/22/01/40/590220140.db2.gz YRIALACKKRORLS-LLVKDONJSA-N 0 1 215.256 0.491 20 30 BCEDMN CNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876599255 590220468 /nfs/dbraw/zinc/22/04/68/590220468.db2.gz YRIALACKKRORLS-NSHDSACASA-N 0 1 215.256 0.491 20 30 BCEDMN C#CCN(CC#C)C[C@@H](OC)C1CCOCC1 ZINC000876744907 590236710 /nfs/dbraw/zinc/23/67/10/590236710.db2.gz GVKCUCSRIBSHDZ-CQSZACIVSA-N 0 1 235.327 0.996 20 30 BCEDMN CN(C)C(=O)[C@@H]1NCCc2cc(C#N)ccc21 ZINC000876791982 590241925 /nfs/dbraw/zinc/24/19/25/590241925.db2.gz LANGXOMVLUFSKR-GFCCVEGCSA-N 0 1 229.283 0.833 20 30 BCEDMN N#C[C@H]1CNC[C@@H]1NC(=O)c1cccnc1F ZINC000876801434 590243135 /nfs/dbraw/zinc/24/31/35/590243135.db2.gz CFEBNPWTXQMGFH-CBAPKCEASA-N 0 1 234.234 0.062 20 30 BCEDMN COC1(CC(=O)N[C@@H]2CNC[C@H]2C#N)CCC1 ZINC000876802150 590243222 /nfs/dbraw/zinc/24/32/22/590243222.db2.gz MDTBBWCMISILAR-NXEZZACHSA-N 0 1 237.303 0.173 20 30 BCEDMN CCn1ncc(C(=O)N[C@H]2CNC[C@@H]2C#N)c1C ZINC000876801468 590243342 /nfs/dbraw/zinc/24/33/42/590243342.db2.gz CXFWCBFHTWAVKA-ONGXEEELSA-N 0 1 247.302 0.053 20 30 BCEDMN CC(C)n1cnc(C(=O)N[C@@H]2CNC[C@@H]2C#N)c1 ZINC000876803935 590243675 /nfs/dbraw/zinc/24/36/75/590243675.db2.gz 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0.774 20 30 BCEDMN C=CCC[C@@H](O)C[N@H+]1CC[C@H](C(=O)[O-])C1 ZINC000817680997 586817715 /nfs/dbraw/zinc/81/77/15/586817715.db2.gz BNUUEQDRVNQCEW-VHSXEESVSA-N 0 1 213.277 0.720 20 30 BCEDMN C#C[C@H](NC[C@@H](C)S(C)(=O)=O)[C@H]1CCCO1 ZINC000819242087 586940540 /nfs/dbraw/zinc/94/05/40/586940540.db2.gz JKLLPOCZNIUKIK-OUAUKWLOSA-N 0 1 245.344 0.190 20 30 BCEDMN C=C(C)C(C)(C)C(=O)NOCC(N)=O ZINC000819460895 586966230 /nfs/dbraw/zinc/96/62/30/586966230.db2.gz DTIASYDUAVAMSW-UHFFFAOYSA-N 0 1 200.238 0.122 20 30 BCEDMN C=C(C)C[N@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000819706185 586987322 /nfs/dbraw/zinc/98/73/22/586987322.db2.gz QISJQUGLNMIAIK-VIFPVBQESA-N 0 1 228.292 0.474 20 30 BCEDMN C=CCC[N@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000819713632 586988147 /nfs/dbraw/zinc/98/81/47/586988147.db2.gz YZXMUPRFTFWEQP-VIFPVBQESA-N 0 1 228.292 0.474 20 30 BCEDMN C=CC[N@H+](CCNC(C)=O)[C@@H](C)C(=O)[O-] ZINC000819713315 586988163 /nfs/dbraw/zinc/98/81/63/586988163.db2.gz HUCCENXOFHJXCU-QMMMGPOBSA-N 0 1 214.265 0.084 20 30 BCEDMN CC(C)n1cncc1C=NNC1=NC[C@@H](C)N1 ZINC000819813036 586997767 /nfs/dbraw/zinc/99/77/67/586997767.db2.gz RQOOOBBLINIMSU-SECBINFHSA-N 0 1 234.307 0.735 20 30 BCEDMN C#CC(C)(C)NC(=O)[C@@H]1CCCCN1C ZINC000819971981 587009614 /nfs/dbraw/zinc/00/96/14/587009614.db2.gz SYVGZGQFQUBKHA-JTQLQIEISA-N 0 1 208.305 0.999 20 30 BCEDMN C[C@@H]1C[N@@H+](C2CC2)CC1=NNCCC(=O)[O-] ZINC000820245652 587038168 /nfs/dbraw/zinc/03/81/68/587038168.db2.gz PKGFXUVEEJVTQR-MRVPVSSYSA-N 0 1 225.292 0.521 20 30 BCEDMN C[C@@H]1C[N@H+](C2CC2)CC1=NNCCC(=O)[O-] ZINC000820245652 587038170 /nfs/dbraw/zinc/03/81/70/587038170.db2.gz PKGFXUVEEJVTQR-MRVPVSSYSA-N 0 1 225.292 0.521 20 30 BCEDMN CC(C)[N@@H+]1CC(=NNCCC(=O)[O-])[C@@H](C)C1 ZINC000820245518 587038388 /nfs/dbraw/zinc/03/83/88/587038388.db2.gz NVWMHWHLWSVUIX-VIFPVBQESA-N 0 1 227.308 0.767 20 30 BCEDMN C#C[C@H](CCC)NC(=O)N[C@@H](C)c1nnc[nH]1 ZINC000820653917 587062615 /nfs/dbraw/zinc/06/26/15/587062615.db2.gz CMLTZTFBYJZXPM-DTWKUNHWSA-N 0 1 235.291 0.967 20 30 BCEDMN C#C[C@H](CCC)NC(=O)NCCCc1nc[nH]n1 ZINC000820667268 587064728 /nfs/dbraw/zinc/06/47/28/587064728.db2.gz UAJDCXGRFJHKNU-SNVBAGLBSA-N 0 1 249.318 0.838 20 30 BCEDMN C#CCN1CCC(c2nc(N)n[nH]2)CC1 ZINC000821269578 587104802 /nfs/dbraw/zinc/10/48/02/587104802.db2.gz FKJAJCPBPXVDNZ-UHFFFAOYSA-N 0 1 205.265 0.200 20 30 BCEDMN C[C@@H]1CC(NC(=O)c2cnc(Cl)n2C)=NO1 ZINC000821399220 587117248 /nfs/dbraw/zinc/11/72/48/587117248.db2.gz ARFSJSPFNIRWLN-RXMQYKEDSA-N 0 1 242.666 0.926 20 30 BCEDMN C#C[C@@H](CC)NC(=O)N[C@H](C)c1nnc[nH]1 ZINC000821567145 587129130 /nfs/dbraw/zinc/12/91/30/587129130.db2.gz GGDXAYXLFRWTST-SFYZADRCSA-N 0 1 221.264 0.577 20 30 BCEDMN C#C[C@H](NC(=O)CN1CCCC1)[C@H]1CCCO1 ZINC000822072847 587150925 /nfs/dbraw/zinc/15/09/25/587150925.db2.gz NHFKYSMEEIWDKY-NWDGAFQWSA-N 0 1 236.315 0.379 20 30 BCEDMN CC1(C#N)CN(C(=O)CN2CCCC2)C1 ZINC000822616981 587177855 /nfs/dbraw/zinc/17/78/55/587177855.db2.gz NNOGXXOYTFZULV-UHFFFAOYSA-N 0 1 207.277 0.454 20 30 BCEDMN C#CCC[C@H](O)CNC(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000822681222 587180707 /nfs/dbraw/zinc/18/07/07/587180707.db2.gz YCJCFEKJGPOTFN-HBNTYKKESA-N 0 1 247.298 0.404 20 30 BCEDMN C#CCO[C@H](C)C(=O)N[C@@H]1CCCN(C)C1 ZINC000823132805 587204349 /nfs/dbraw/zinc/20/43/49/587204349.db2.gz IMSRTFYCMKWVCB-GHMZBOCLSA-N 0 1 224.304 0.235 20 30 BCEDMN C=CCCc1noc(C[C@H]2COCCN2)n1 ZINC000823263137 587212467 /nfs/dbraw/zinc/21/24/67/587212467.db2.gz DCIBYCSBCMUVBC-VIFPVBQESA-N 0 1 223.276 0.719 20 30 BCEDMN C=CCCc1noc([C@H]2CNCCO2)n1 ZINC000823263365 587212503 /nfs/dbraw/zinc/21/25/03/587212503.db2.gz HMQLHNJPEWMWKL-MRVPVSSYSA-N 0 1 209.249 0.849 20 30 BCEDMN C=CCC[C@@H](O)C[N@H+]1CCCN(C(=O)[O-])CC1 ZINC000823495925 587226981 /nfs/dbraw/zinc/22/69/81/587226981.db2.gz ANTHCNSMXJLAKO-LLVKDONJSA-N 0 1 242.319 0.999 20 30 BCEDMN O=C(C#CC1CC1)N1CCC(c2nc[nH]n2)CC1 ZINC000824831142 587289133 /nfs/dbraw/zinc/28/91/33/587289133.db2.gz NCORLJFBSDIYQD-UHFFFAOYSA-N 0 1 244.298 0.924 20 30 BCEDMN C#CCO[N-]C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC000825136971 587306576 /nfs/dbraw/zinc/30/65/76/587306576.db2.gz IGJYOTZIQXPFKE-SNVBAGLBSA-N 0 1 210.277 0.540 20 30 BCEDMN C#CC[N@H+](CCC(=O)[O-])C1CCOCC1 ZINC000825614152 587327867 /nfs/dbraw/zinc/32/78/67/587327867.db2.gz HFJKWOKDACAGBL-UHFFFAOYSA-N 0 1 211.261 0.575 20 30 BCEDMN C=CCC[C@@H](O)C[N@H+]1CCO[C@H](CC(=O)[O-])C1 ZINC000825665096 587330440 /nfs/dbraw/zinc/33/04/40/587330440.db2.gz UHARZZZGUSGJNP-GHMZBOCLSA-N 0 1 243.303 0.489 20 30 BCEDMN C#Cc1cnc(N2CCN(CCC)CC2)nc1 ZINC000827287486 587375506 /nfs/dbraw/zinc/37/55/06/587375506.db2.gz LFXDBAWNWKSTIW-UHFFFAOYSA-N 0 1 230.315 0.990 20 30 BCEDMN C=C[C@H](CC)CC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000827528771 587385915 /nfs/dbraw/zinc/38/59/15/587385915.db2.gz QJUABPKYZLATLC-VXGBXAGGSA-N 0 1 240.347 0.772 20 30 BCEDMN C#CCO[C@@H](C)C(=O)N1CCN(C)CC1(C)C ZINC000828145671 587421434 /nfs/dbraw/zinc/42/14/34/587421434.db2.gz QSUSMHKGAGSTDO-NSHDSACASA-N 0 1 238.331 0.577 20 30 BCEDMN C#C[C@@H](NCc1c[nH]nn1)[C@@H]1CCCO1 ZINC000828954664 587475636 /nfs/dbraw/zinc/47/56/36/587475636.db2.gz WBJTTYHNIALWOB-ZJUUUORDSA-N 0 1 206.249 0.075 20 30 BCEDMN COC1CC(C(=O)C(C#N)C(=O)NC(C)C)C1 ZINC000860472271 589101914 /nfs/dbraw/zinc/10/19/14/589101914.db2.gz GOUQVDSPOGNPBM-UDNWOFFPSA-N 0 1 238.287 0.645 20 30 BCEDMN N#CC(C(=O)NC1CC1)C(=O)C12CC(C1)C2 ZINC000860473703 589101992 /nfs/dbraw/zinc/10/19/92/589101992.db2.gz QDBZXMPWIHGQDO-QAHKDPLZSA-N 0 1 218.256 0.774 20 30 BCEDMN Cc1oc(C(=O)N=C2C[C@@H](C)ON2)cc1CO ZINC000867063327 587505149 /nfs/dbraw/zinc/50/51/49/587505149.db2.gz VNRCHQYDUNJPFP-ZCFIWIBFSA-N 0 1 238.243 0.932 20 30 BCEDMN CC[N@H+](CC(=O)[O-])C[C@H](O)c1ccc(C#N)cc1 ZINC000829635825 587507230 /nfs/dbraw/zinc/50/72/30/587507230.db2.gz VCGNMIOVAXZMRA-LBPRGKRZSA-N 0 1 248.282 0.998 20 30 BCEDMN C#CCN1CCC(NC(=O)[C@@](C)(O)CC)CC1 ZINC000830162520 587539913 /nfs/dbraw/zinc/53/99/13/587539913.db2.gz KZYPTTTTYFAVSG-ZDUSSCGKSA-N 0 1 238.331 0.361 20 30 BCEDMN C#CCN1CCC(NC(=O)[C@](C)(O)CC)CC1 ZINC000830162518 587539923 /nfs/dbraw/zinc/53/99/23/587539923.db2.gz KZYPTTTTYFAVSG-CYBMUJFWSA-N 0 1 238.331 0.361 20 30 BCEDMN C#CCO[C@@H](C)C(=O)N1CCN2CCC1CC2 ZINC000830156734 587539939 /nfs/dbraw/zinc/53/99/39/587539939.db2.gz XEYYELBKDVJWOL-NSHDSACASA-N 0 1 236.315 0.331 20 30 BCEDMN C=C(C)[C@@H](CO)N1CC[C@@H](OC(=O)N(C)C)C1 ZINC000830509480 587555015 /nfs/dbraw/zinc/55/50/15/587555015.db2.gz KCWWVOMACMZYES-GHMZBOCLSA-N 0 1 242.319 0.696 20 30 BCEDMN C#CCN1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000830674338 587563728 /nfs/dbraw/zinc/56/37/28/587563728.db2.gz MBUUCQYALXAAPO-VIFPVBQESA-N 0 1 234.221 0.620 20 30 BCEDMN N#Cc1ccc(O)c(NC(=O)C[C@H]2CC(=O)N2)c1 ZINC000831271509 587594951 /nfs/dbraw/zinc/59/49/51/587594951.db2.gz HXJZNMCHROFOIB-MRVPVSSYSA-N 0 1 245.238 0.481 20 30 BCEDMN CCn1cnc(C(=O)N=C2C[C@@H](C)ON2)c1 ZINC000831398339 587603178 /nfs/dbraw/zinc/60/31/78/587603178.db2.gz ACZSRVDLURNUAX-SSDOTTSWSA-N 0 1 222.248 0.755 20 30 BCEDMN C[C@H]1CC(NC(=O)[C@@H]2CCCc3n[nH]nc32)=NO1 ZINC000831399555 587603555 /nfs/dbraw/zinc/60/35/55/587603555.db2.gz OESYARXAKNBZNP-NKWVEPMBSA-N 0 1 249.274 0.463 20 30 BCEDMN CN1CC(C(=O)N2CCC[C@@](C)(C#N)C2)=NC1=O ZINC000832064331 587643983 /nfs/dbraw/zinc/64/39/83/587643983.db2.gz HRTNGEAYBUUJNF-LBPRGKRZSA-N 0 1 248.286 0.892 20 30 BCEDMN C#CCNC(=O)C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000832084669 587644775 /nfs/dbraw/zinc/64/47/75/587644775.db2.gz MTSYGPCTPSGODF-NSHDSACASA-N 0 1 240.347 0.465 20 30 BCEDMN C#CCNC(=O)CN(C)[C@H](CO)CC(C)(C)C ZINC000832084669 587644777 /nfs/dbraw/zinc/64/47/77/587644777.db2.gz MTSYGPCTPSGODF-NSHDSACASA-N 0 1 240.347 0.465 20 30 BCEDMN C=C[C@H](O)C(=O)NCCN1CC=C(C)CC1 ZINC000832208051 587650244 /nfs/dbraw/zinc/65/02/44/587650244.db2.gz XZTWWCOFFCSNNO-NSHDSACASA-N 0 1 224.304 0.302 20 30 BCEDMN C#C[C@@H](NC(=O)C1(N(C)C)CC1)[C@@H]1CCCO1 ZINC000832411744 587658984 /nfs/dbraw/zinc/65/89/84/587658984.db2.gz JXNOLHLITSUSMY-MNOVXSKESA-N 0 1 236.315 0.378 20 30 BCEDMN C#C[C@H](C)NC(=O)[C@@H]1CCc2[nH]cnc2C1 ZINC000832425713 587659543 /nfs/dbraw/zinc/65/95/43/587659543.db2.gz QMEQBBNYJIMJMR-DTWKUNHWSA-N 0 1 217.272 0.653 20 30 BCEDMN C#CCCC[N@H+](CCOC)CCC(=O)[O-] ZINC000833362323 587708214 /nfs/dbraw/zinc/70/82/14/587708214.db2.gz LXSAKMYTSHAKBZ-UHFFFAOYSA-N 0 1 213.277 0.823 20 30 BCEDMN C#CCCN1CC[NH+](C/C=C(\C)C(=O)[O-])CC1 ZINC000833362352 587708257 /nfs/dbraw/zinc/70/82/57/587708257.db2.gz NJAJRMRTOJAJSY-LFYBBSHMSA-N 0 1 236.315 0.658 20 30 BCEDMN C#CCCC[N@@H+]1CCN(CCC(=O)[O-])C[C@H]1C ZINC000833362559 587708394 /nfs/dbraw/zinc/70/83/94/587708394.db2.gz YLUJIMYPCPNJSM-GFCCVEGCSA-N 0 1 238.331 0.881 20 30 BCEDMN C#CCCCN1CC[N@@H+](CCC(=O)[O-])C[C@H]1C ZINC000833362559 587708395 /nfs/dbraw/zinc/70/83/95/587708395.db2.gz YLUJIMYPCPNJSM-GFCCVEGCSA-N 0 1 238.331 0.881 20 30 BCEDMN C#CCCCN1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC000833362559 587708396 /nfs/dbraw/zinc/70/83/96/587708396.db2.gz YLUJIMYPCPNJSM-GFCCVEGCSA-N 0 1 238.331 0.881 20 30 BCEDMN C#CCN1CC[N@H+](CCC(=O)[O-])C[C@H]1C ZINC000833364331 587708902 /nfs/dbraw/zinc/70/89/02/587708902.db2.gz JYBWWQGJXCGVDH-SNVBAGLBSA-N 0 1 210.277 0.100 20 30 BCEDMN C=C(C)C[N@H+](C)CC(=O)NCCC(=O)[O-] ZINC000833368761 587709317 /nfs/dbraw/zinc/70/93/17/587709317.db2.gz TVZJQJSDPIKQEG-UHFFFAOYSA-N 0 1 214.265 0.085 20 30 BCEDMN C=C(C)C[N@@H+]1CC[C@H](C(=O)OC)C[C@@H]1C(=O)[O-] ZINC000833369118 587709388 /nfs/dbraw/zinc/70/93/88/587709388.db2.gz GIOSXBWRDZGNGG-VHSXEESVSA-N 0 1 241.287 0.901 20 30 BCEDMN C=C(C)C[N@H+]1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833369353 587710015 /nfs/dbraw/zinc/71/00/15/587710015.db2.gz SJJGVRWRCIVKRD-NXEZZACHSA-N 0 1 241.287 0.901 20 30 BCEDMN C=C(C)C[N@@H+]1CC[C@@H](C(=O)[O-])C[C@@H]1C(=O)OC ZINC000833369353 587710017 /nfs/dbraw/zinc/71/00/17/587710017.db2.gz SJJGVRWRCIVKRD-NXEZZACHSA-N 0 1 241.287 0.901 20 30 BCEDMN C=CCCC[N@H+](C)CN1C[C@@H](C(=O)[O-])CC1=O ZINC000833374005 587710612 /nfs/dbraw/zinc/71/06/12/587710612.db2.gz NEWCKOJSEHLSKM-JTQLQIEISA-N 0 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C=C(C)C[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851909360 588642293 /nfs/dbraw/zinc/64/22/93/588642293.db2.gz CJBISXXXAIWYJD-CQSZACIVSA-N 0 1 248.326 0.867 20 30 BCEDMN C#C[C@H](NC[C@H](O)c1ccccn1)[C@H]1CCCO1 ZINC000851949597 588646891 /nfs/dbraw/zinc/64/68/91/588646891.db2.gz GPOBDZODDTVJPW-FPMFFAJLSA-N 0 1 246.310 0.885 20 30 BCEDMN C#CCOCCN(CC)C[C@H](O)C(F)(F)F ZINC000851955328 588647390 /nfs/dbraw/zinc/64/73/90/588647390.db2.gz FTCDEVSDQIUIEA-VIFPVBQESA-N 0 1 239.237 0.881 20 30 BCEDMN C#C[C@H](C)N(C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851989962 588652273 /nfs/dbraw/zinc/65/22/73/588652273.db2.gz MILLVKYVISPJDD-SMDDNHRTSA-N 0 1 246.310 0.313 20 30 BCEDMN C#CCOCCN[C@@H](c1nncn1C)C(C)C ZINC000852040077 588657037 /nfs/dbraw/zinc/65/70/37/588657037.db2.gz QIYSIJIAWVRRPX-LLVKDONJSA-N 0 1 236.319 0.752 20 30 BCEDMN C#CC[C@@H]1CCCN([C@@H]2CON(CC)C2=O)C1 ZINC000852206498 588671697 /nfs/dbraw/zinc/67/16/97/588671697.db2.gz KWIDNCLIPCYRDJ-VXGBXAGGSA-N 0 1 236.315 0.884 20 30 BCEDMN CC#CCN1CCC2=C(CCC(=O)N2)C1 ZINC000852296840 588676870 /nfs/dbraw/zinc/67/68/70/588676870.db2.gz BSGACUTXIHICMG-UHFFFAOYSA-N 0 1 204.273 0.880 20 30 BCEDMN COCC#CC[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296729 588677224 /nfs/dbraw/zinc/67/72/24/588677224.db2.gz AIONDRNZSPYLHV-UHFFFAOYSA-N 0 1 234.299 0.506 20 30 BCEDMN COCC#CCN1CCC2=C(CCC(=O)N2)C1 ZINC000852296729 588677225 /nfs/dbraw/zinc/67/72/25/588677225.db2.gz AIONDRNZSPYLHV-UHFFFAOYSA-N 0 1 234.299 0.506 20 30 BCEDMN C[C@@H](C#N)OCC[N@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852313719 588677999 /nfs/dbraw/zinc/67/79/99/588677999.db2.gz LXITUFJQDCFFIJ-RYUDHWBXSA-N 0 1 249.318 0.529 20 30 BCEDMN C#CCCN(CCOC)CCn1ccccc1=O ZINC000852751178 588700156 /nfs/dbraw/zinc/70/01/56/588700156.db2.gz RSYDWGNUDKKQQN-UHFFFAOYSA-N 0 1 248.326 0.820 20 30 BCEDMN CC(=NNC1=NC[C@H](C)N1)c1ccns1 ZINC000863105653 589256742 /nfs/dbraw/zinc/25/67/42/589256742.db2.gz WYMWZPZPGRSNMT-LURJTMIESA-N 0 1 223.305 0.804 20 30 BCEDMN CCC(=NNCC(N)=O)c1ccc(N)cc1 ZINC000863108423 589257566 /nfs/dbraw/zinc/25/75/66/589257566.db2.gz RFFKMQXKJNHSJL-UHFFFAOYSA-N 0 1 220.276 0.458 20 30 BCEDMN O=C1CN=C(NN=C2CCC[N@H+]3CCCC[C@H]23)N1 ZINC000863176657 589268470 /nfs/dbraw/zinc/26/84/70/589268470.db2.gz YYAQYWAVHNEYND-SNVBAGLBSA-N 0 1 249.318 0.066 20 30 BCEDMN O=c1ccn(N=C2CCN3CCC[C@@H]23)c(=O)[nH]1 ZINC000863184834 589269667 /nfs/dbraw/zinc/26/96/67/589269667.db2.gz LJIQBMPPBBGXQY-VIFPVBQESA-N 0 1 234.259 0.021 20 30 BCEDMN COCC(COC)NN=Cc1[nH]cnc1C ZINC000863195214 589270175 /nfs/dbraw/zinc/27/01/75/589270175.db2.gz RYESWOAALDNSMF-UHFFFAOYSA-N 0 1 226.280 0.303 20 30 BCEDMN CCN(C[C@@H](C)C#N)C(=O)[C@H](O)c1c[nH]cn1 ZINC000864905015 589400476 /nfs/dbraw/zinc/40/04/76/589400476.db2.gz UKRVBNNLVHFFDP-WCBMZHEXSA-N 0 1 236.275 0.451 20 30 BCEDMN CC(C)CN(CCC#N)C(=O)Cc1ncn[nH]1 ZINC000865026870 589405447 /nfs/dbraw/zinc/40/54/47/589405447.db2.gz BGOHAHKDTBMKEP-UHFFFAOYSA-N 0 1 235.291 0.745 20 30 BCEDMN N#CCCN(CC1CC1)C(=O)[C@H](O)c1c[nH]cn1 ZINC000865164638 589412341 /nfs/dbraw/zinc/41/23/41/589412341.db2.gz LDAPCSNMDNLCCB-LLVKDONJSA-N 0 1 248.286 0.595 20 30 BCEDMN C=CC[C@H](CO)CNCc1cn(CCC)nn1 ZINC000865519536 589442774 /nfs/dbraw/zinc/44/27/74/589442774.db2.gz ALIBURRXJQLXMQ-NSHDSACASA-N 0 1 238.335 0.962 20 30 BCEDMN C=C(Cl)CNC(=O)Cc1nnc[nH]1 ZINC000865962258 589470537 /nfs/dbraw/zinc/47/05/37/589470537.db2.gz ZQQAOVMMWNMKAU-UHFFFAOYSA-N 0 1 200.629 0.216 20 30 BCEDMN C#CCN(C(=O)[C@@H](O)c1c[nH]cn1)C1CCCC1 ZINC000866511117 589498361 /nfs/dbraw/zinc/49/83/61/589498361.db2.gz MXEFACOFWSTBLT-LBPRGKRZSA-N 0 1 247.298 0.848 20 30 BCEDMN CCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000867953225 589541534 /nfs/dbraw/zinc/54/15/34/589541534.db2.gz QOVQESIMHFJWLY-LBPRGKRZSA-N 0 1 229.283 0.881 20 30 BCEDMN CC(C)NC(=O)C(C#N)C(=O)[C@@H]1CCCCO1 ZINC000121999981 589547160 /nfs/dbraw/zinc/54/71/60/589547160.db2.gz RTGOPVZEONDHFB-ZJUUUORDSA-N 0 1 238.287 0.789 20 30 BCEDMN C=C(C)CONC(=O)CCc1c[nH]nn1 ZINC000869154482 589590798 /nfs/dbraw/zinc/59/07/98/589590798.db2.gz TUIBTDNYERRCAD-UHFFFAOYSA-N 0 1 210.237 0.361 20 30 BCEDMN C=C(C)CONC(=O)CCc1cnn[nH]1 ZINC000869154482 589590799 /nfs/dbraw/zinc/59/07/99/589590799.db2.gz TUIBTDNYERRCAD-UHFFFAOYSA-N 0 1 210.237 0.361 20 30 BCEDMN C#C[C@@H]1CCCN(C(=O)[C@H](O)c2c[nH]cn2)C1 ZINC000869187520 589592374 /nfs/dbraw/zinc/59/23/74/589592374.db2.gz TXOQZDDYXXAWAL-MWLCHTKSSA-N 0 1 233.271 0.315 20 30 BCEDMN C#CCONC(=O)Cc1cn2cc(C)sc2n1 ZINC000869254290 589594447 /nfs/dbraw/zinc/59/44/47/589594447.db2.gz UXZYQGIFCHQQQH-UHFFFAOYSA-N 0 1 249.295 0.928 20 30 BCEDMN C[C@@H](C#N)N(C(=O)[C@@H](O)c1c[nH]cn1)C1CC1 ZINC000869254760 589594642 /nfs/dbraw/zinc/59/46/42/589594642.db2.gz VUSFEKKYRGQULE-XVKPBYJWSA-N 0 1 234.259 0.346 20 30 BCEDMN C#CC[C@H]1CCN(C(=O)[C@H](O)c2c[nH]cn2)C1 ZINC000869393594 589603001 /nfs/dbraw/zinc/60/30/01/589603001.db2.gz OCZLKOJDRBYGGT-GXSJLCMTSA-N 0 1 233.271 0.315 20 30 BCEDMN C#CCN1CCC[C@@H]1COC(=O)/C=C\COC ZINC000870194095 589648438 /nfs/dbraw/zinc/64/84/38/589648438.db2.gz IRUUEWXXOCZROR-SMYYYNMVSA-N 0 1 237.299 0.830 20 30 BCEDMN C[N@H+]1CC[C@@H](C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870689931 589684327 /nfs/dbraw/zinc/68/43/27/589684327.db2.gz DVOCSKRMUJOUBR-LLVKDONJSA-N 0 1 245.282 0.920 20 30 BCEDMN C=CCONC(=O)N=c1nc(C)[nH]n1CC ZINC000888541030 589692479 /nfs/dbraw/zinc/69/24/79/589692479.db2.gz INRSAXNALQPFLE-UHFFFAOYSA-N 0 1 225.252 0.267 20 30 BCEDMN N#C[C@H]1CNC[C@H]1NC(=O)[C@]12CCC[C@H]1OCC2 ZINC000872288013 589906338 /nfs/dbraw/zinc/90/63/38/589906338.db2.gz RVCSKMPSOILKGM-WGBDABJCSA-N 0 1 249.314 0.173 20 30 BCEDMN COc1ccnc(N=NC2CCN(C)[C@@H]2C)n1 ZINC000872342084 589915286 /nfs/dbraw/zinc/91/52/86/589915286.db2.gz HWMSCYKPUMVDMW-MRVPVSSYSA-N 0 1 235.291 0.977 20 30 BCEDMN C[C@@H]1C(N=Nc2cccnn2)CCN1C ZINC000872352908 589916096 /nfs/dbraw/zinc/91/60/96/589916096.db2.gz MCQVNLFMHTVYBD-MRVPVSSYSA-N 0 1 205.265 0.969 20 30 BCEDMN C[C@@H]1C(N=NC2=N[C@H]3CCCC[C@@H]3N2)CCN1C ZINC000872359769 589918947 /nfs/dbraw/zinc/91/89/47/589918947.db2.gz ORSTZSFWUNPRIT-USWWRNFRSA-N 0 1 249.362 0.926 20 30 BCEDMN C[C@H]1CN=C(NN=Cc2cnsc2)N1 ZINC000872365027 589920867 /nfs/dbraw/zinc/92/08/67/589920867.db2.gz ZPNKEXUZQVDHQF-LURJTMIESA-N 0 1 209.278 0.414 20 30 BCEDMN C[C@H](O)CNN=Cc1ccc(F)c(F)c1O ZINC000872377698 589926250 /nfs/dbraw/zinc/92/62/50/589926250.db2.gz IGSZMGNMMGZYDC-LURJTMIESA-N 0 1 230.214 0.975 20 30 BCEDMN Cc1ccc(C=NNC2=NCCN2)c(O)c1 ZINC000872385378 589929131 /nfs/dbraw/zinc/92/91/31/589929131.db2.gz GCHKGFZQEWTULL-UHFFFAOYSA-N 0 1 218.260 0.583 20 30 BCEDMN Cc1ccnc(N)c1C=NN(C)C[C@H](C)O ZINC000872385639 589929204 /nfs/dbraw/zinc/92/92/04/589929204.db2.gz KPZJJANCBGRJFS-VIFPVBQESA-N 0 1 222.292 0.619 20 30 BCEDMN c1cnc2c(c1)C(=NNC1=NCCN1)CCC2 ZINC000872385723 589929413 /nfs/dbraw/zinc/92/94/13/589929413.db2.gz NRYLXHKLOVDUSB-UHFFFAOYSA-N 0 1 229.287 0.671 20 30 BCEDMN C#CCNC(=O)C(C)(C)CN1CCOCC1 ZINC000873821248 590073413 /nfs/dbraw/zinc/07/34/13/590073413.db2.gz GVLSBASLAGHMDQ-UHFFFAOYSA-N 0 1 224.304 0.094 20 30 BCEDMN COCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1C ZINC000125100504 590120327 /nfs/dbraw/zinc/12/03/27/590120327.db2.gz HNRLXVKXCNNOQL-LPEHRKFASA-N 0 1 238.287 0.504 20 30 BCEDMN COC1(CC(=O)N[C@@H]2CNC[C@@H]2C#N)CCC1 ZINC000876802152 590243121 /nfs/dbraw/zinc/24/31/21/590243121.db2.gz MDTBBWCMISILAR-VHSXEESVSA-N 0 1 237.303 0.173 20 30 BCEDMN N#C[C@H]1CNC[C@H]1NC(=O)C1CCC=CCC1 ZINC000876801305 590243166 /nfs/dbraw/zinc/24/31/66/590243166.db2.gz AUIBVLQOEJZZDJ-NWDGAFQWSA-N 0 1 233.315 0.961 20 30 BCEDMN CCO[C@H](C(=O)N[C@H]1CNC[C@H]1C#N)C1CC1 ZINC000876801819 590243350 /nfs/dbraw/zinc/24/33/50/590243350.db2.gz JHUVUOAZBSUYIX-VWYCJHECSA-N 0 1 237.303 0.029 20 30 BCEDMN CC/C=C(\F)C(=O)N[C@@H]1CNC[C@@H]1C#N ZINC000876802538 590243732 /nfs/dbraw/zinc/24/37/32/590243732.db2.gz QBTPXIGPKRMFGV-XBFYPUGGSA-N 0 1 211.240 0.478 20 30 BCEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1ocnc1C1CC1 ZINC000876802806 590243757 /nfs/dbraw/zinc/24/37/57/590243757.db2.gz SEWPHYJRBIHBDK-DTWKUNHWSA-N 0 1 246.270 0.393 20 30 BCEDMN N#C[C@@H]1CNC[C@H]1NC(=O)C1(C#N)CC2(CC2)C1 ZINC000876803941 590244097 /nfs/dbraw/zinc/24/40/97/590244097.db2.gz ZTQLDBSSPFXJAC-NXEZZACHSA-N 0 1 244.298 0.298 20 30 BCEDMN COC(=O)N(C)CCNCc1cccc(C#N)n1 ZINC000877634187 590379950 /nfs/dbraw/zinc/37/99/50/590379950.db2.gz XPAQMZQLZXTIBH-UHFFFAOYSA-N 0 1 248.286 0.741 20 30 BCEDMN C#CC[C@@H](CCOC)NCc1ncnn1C ZINC000877661207 590386704 /nfs/dbraw/zinc/38/67/04/590386704.db2.gz XTCICMORIKGALN-JTQLQIEISA-N 0 1 222.292 0.333 20 30 BCEDMN C#CC[C@H](CCOC)NCc1ncnn1CC ZINC000877661038 590386769 /nfs/dbraw/zinc/38/67/69/590386769.db2.gz VVBDHASKGGEANH-LLVKDONJSA-N 0 1 236.319 0.816 20 30 BCEDMN C=CC[C@H](C(=O)OC)N1CCN(CC)CC1 ZINC000877932933 590450796 /nfs/dbraw/zinc/45/07/96/590450796.db2.gz BMZAHZITKWYSOJ-LLVKDONJSA-N 0 1 226.320 0.742 20 30 BCEDMN C=CC[C@H](C(=O)OC)N(C)CCCC(=O)NC ZINC000878296758 590536863 /nfs/dbraw/zinc/53/68/63/590536863.db2.gz MUSFQACRXYARRY-SNVBAGLBSA-N 0 1 242.319 0.562 20 30 BCEDMN C=CC[C@H](C(=O)OC)N1C[C@H](O)[C@@H](CC)C1 ZINC000878322976 590546370 /nfs/dbraw/zinc/54/63/70/590546370.db2.gz RLHUAKMNVDIDTC-AXFHLTTASA-N 0 1 227.304 0.807 20 30 BCEDMN C=CC[C@@H](C)N1CCN(C(=O)[C@@H](C)O)CC1 ZINC000878331573 590548301 /nfs/dbraw/zinc/54/83/01/590548301.db2.gz WCYDBZZXEONRBS-GHMZBOCLSA-N 0 1 226.320 0.476 20 30 BCEDMN C[C@H]1CN(Cc2ccc(C#N)o2)C[C@@H]1O ZINC000878335074 590549760 /nfs/dbraw/zinc/54/97/60/590549760.db2.gz HTSVOUQCMRWIDV-KWQFWETISA-N 0 1 206.245 0.964 20 30 BCEDMN C=CC[C@@H](C(=O)OC)N1C[C@H](O)C(C)(C)C1 ZINC000878532172 590587337 /nfs/dbraw/zinc/58/73/37/590587337.db2.gz QATLYPYCVUKLDV-UWVGGRQHSA-N 0 1 227.304 0.807 20 30 BCEDMN CC[C@H](CC#N)NCCc1nnnn1C ZINC000878698088 590611348 /nfs/dbraw/zinc/61/13/48/590611348.db2.gz AOCFOXUHRLYSSD-MRVPVSSYSA-N 0 1 208.269 0.034 20 30 BCEDMN CC[C@H](CC#N)NC[C@H](O)CC(C)(C)O ZINC000878698122 590611326 /nfs/dbraw/zinc/61/13/26/590611326.db2.gz BFEXPRFMNYTCAQ-NXEZZACHSA-N 0 1 214.309 0.790 20 30 BCEDMN C#CCCN1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000878752092 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0.483 20 30 BCEDMN C#CCN(C)C(=O)C(C)(C)CN1CCOCC1 ZINC000822370112 587164136 /nfs/dbraw/zinc/16/41/36/587164136.db2.gz JIUJCGLAUVTXCJ-UHFFFAOYSA-N 0 1 238.331 0.436 20 30 BCEDMN C#C[C@@H](CC)NC(=O)CCCc1nn[nH]n1 ZINC000822406072 587166353 /nfs/dbraw/zinc/16/63/53/587166353.db2.gz BOBOBMFRCYKLKI-QMMMGPOBSA-N 0 1 221.264 0.050 20 30 BCEDMN C#C[C@H](C)N(C)C(=O)[C@@H]1C[C@H]1c1cnc[nH]1 ZINC000822473468 587170558 /nfs/dbraw/zinc/17/05/58/587170558.db2.gz XZHYAUWCZLXROX-IVZWLZJFSA-N 0 1 217.272 0.993 20 30 BCEDMN C#CCO[C@H](C)C(=O)NCc1cc(CC)[nH]n1 ZINC000823287488 587214172 /nfs/dbraw/zinc/21/41/72/587214172.db2.gz ZUGVVRGYDWKXEI-SECBINFHSA-N 0 1 235.287 0.627 20 30 BCEDMN C=CCC[C@H](O)C[N@H+](C)[C@@H](C)CNC(=O)[O-] ZINC000823496254 587227145 /nfs/dbraw/zinc/22/71/45/587227145.db2.gz GXFZSOKDNWAAIO-UWVGGRQHSA-N 0 1 230.308 0.901 20 30 BCEDMN C=CCC[C@H](O)C[N@H+]1CCN(C(=O)[O-])[C@@H](C)C1 ZINC000823495966 587227154 /nfs/dbraw/zinc/22/71/54/587227154.db2.gz BLDMTJGGENEMNI-QWRGUYRKSA-N 0 1 242.319 0.998 20 30 BCEDMN C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823496206 587227195 /nfs/dbraw/zinc/22/71/95/587227195.db2.gz FVASVFSSLWMNFS-GHMZBOCLSA-N 0 1 242.319 0.998 20 30 BCEDMN C=CCC[C@@H](O)C[N@H+](C)[C@@H](C)CNC(=O)[O-] ZINC000823496255 587227219 /nfs/dbraw/zinc/22/72/19/587227219.db2.gz GXFZSOKDNWAAIO-VHSXEESVSA-N 0 1 230.308 0.901 20 30 BCEDMN C=CCC[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823496207 587227278 /nfs/dbraw/zinc/22/72/78/587227278.db2.gz FVASVFSSLWMNFS-MNOVXSKESA-N 0 1 242.319 0.998 20 30 BCEDMN C=CCC[C@H](O)C[N@H+](C)[C@@H]1CCN(C(=O)[O-])C1 ZINC000823497133 587227708 /nfs/dbraw/zinc/22/77/08/587227708.db2.gz WMWUOQQYQCDMSQ-MNOVXSKESA-N 0 1 242.319 0.998 20 30 BCEDMN C=CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[O-] ZINC000823507141 587228131 /nfs/dbraw/zinc/22/81/31/587228131.db2.gz SXUTWPKPCHJADA-VIFPVBQESA-N 0 1 241.291 0.021 20 30 BCEDMN C=CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[O-] ZINC000823507141 587228132 /nfs/dbraw/zinc/22/81/32/587228132.db2.gz SXUTWPKPCHJADA-VIFPVBQESA-N 0 1 241.291 0.021 20 30 BCEDMN C#CCCn1cccc(-c2nn[nH]n2)c1=O ZINC000823844664 587243183 /nfs/dbraw/zinc/24/31/83/587243183.db2.gz FSSULUBARUELNW-UHFFFAOYSA-N 0 1 215.216 0.052 20 30 BCEDMN CN(C)c1ccc(C=NOCC(N)=O)cc1 ZINC000823869046 587244764 /nfs/dbraw/zinc/24/47/64/587244764.db2.gz PJXNFOJDOYNLPK-UHFFFAOYSA-N 0 1 221.260 0.588 20 30 BCEDMN C=CCOCC[NH2+]Cc1ccc(-c2nn[n-]n2)o1 ZINC000823925605 587246322 /nfs/dbraw/zinc/24/63/22/587246322.db2.gz MRHACJLRIIBOPU-UHFFFAOYSA-N 0 1 249.274 0.752 20 30 BCEDMN C#C[C@H]1CCCN(C(=O)CCCc2nn[nH]n2)C1 ZINC000824290895 587264869 /nfs/dbraw/zinc/26/48/69/587264869.db2.gz SLJJLMJOIDXJJM-JTQLQIEISA-N 0 1 247.302 0.394 20 30 BCEDMN C#CCO[N-]C(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000824484129 587272073 /nfs/dbraw/zinc/27/20/73/587272073.db2.gz UGSZGBBIBBRMRA-NSHDSACASA-N 0 1 222.288 0.684 20 30 BCEDMN C#C[C@H](NC(=O)[C@@H](C)N(C)C)C1CCOCC1 ZINC000824692875 587282758 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Cn1nncc1N=NC1C[N@H+]2C[C@@H]1CCC2 ZINC000863117594 589259595 /nfs/dbraw/zinc/25/95/95/589259595.db2.gz XOTBUOHVAFIPEV-QMMMGPOBSA-N 0 1 220.280 0.309 20 30 BCEDMN CC(=NNc1ccncc1C)c1cnn(C)n1 ZINC000863158253 589263644 /nfs/dbraw/zinc/26/36/44/589263644.db2.gz SWRMGBHGZZYJNQ-UHFFFAOYSA-N 0 1 230.275 0.777 20 30 BCEDMN Cc1cnccc1NN=C1CCN(C)C1=O ZINC000863157491 589263736 /nfs/dbraw/zinc/26/37/36/589263736.db2.gz BLSAMNAUZGBWQI-UHFFFAOYSA-N 0 1 218.260 0.442 20 30 BCEDMN C#CC[C@H](COC)NC(=O)Cc1cc(C)n[nH]1 ZINC000863801168 589319476 /nfs/dbraw/zinc/31/94/76/589319476.db2.gz WGTGOFCFNVVZGZ-SNVBAGLBSA-N 0 1 235.287 0.415 20 30 BCEDMN C#CCCN1CCN(Cc2ncc[nH]2)CC1 ZINC000119654724 589322053 /nfs/dbraw/zinc/32/20/53/589322053.db2.gz NHQLMZXKQHWEPQ-UHFFFAOYSA-N 0 1 218.304 0.551 20 30 BCEDMN C#C[C@H](CC)NC(=O)CN(C)C1CCC1 ZINC000863910269 589325623 /nfs/dbraw/zinc/32/56/23/589325623.db2.gz WNRCFXQFTKMFOT-SNVBAGLBSA-N 0 1 208.305 0.999 20 30 BCEDMN C[C@@H](C#N)CN(C)C(=O)[C@H](O)c1c[nH]cn1 ZINC000864979757 589401832 /nfs/dbraw/zinc/40/18/32/589401832.db2.gz QMRUKQBOBUOSSN-IONNQARKSA-N 0 1 222.248 0.061 20 30 BCEDMN C#CCCNC(=O)N1CCN(C)[C@@H](C(C)C)C1 ZINC000868252028 589552743 /nfs/dbraw/zinc/55/27/43/589552743.db2.gz BKDSZCZAVSKRFZ-GFCCVEGCSA-N 0 1 237.347 0.991 20 30 BCEDMN C#C[C@H](NC(=O)CCc1c[nH]nn1)C(C)(C)C ZINC000868370655 589556288 /nfs/dbraw/zinc/55/62/88/589556288.db2.gz LMPYBCPLXYFSOK-JTQLQIEISA-N 0 1 234.303 0.901 20 30 BCEDMN C#C[C@H](NC(=O)CCc1cnn[nH]1)C(C)(C)C ZINC000868370655 589556290 /nfs/dbraw/zinc/55/62/90/589556290.db2.gz LMPYBCPLXYFSOK-JTQLQIEISA-N 0 1 234.303 0.901 20 30 BCEDMN C#C[C@](C)(CC)NC(=O)Cc1nnc[nH]1 ZINC000868629804 589569473 /nfs/dbraw/zinc/56/94/73/589569473.db2.gz NLBMSOWCSLRFTP-SNVBAGLBSA-N 0 1 206.249 0.265 20 30 BCEDMN C[C@H](C#N)N(C(=O)[C@@H](O)c1c[nH]cn1)C1CC1 ZINC000869254759 589594686 /nfs/dbraw/zinc/59/46/86/589594686.db2.gz VUSFEKKYRGQULE-XCBNKYQSSA-N 0 1 234.259 0.346 20 30 BCEDMN C#CC[C@@H]1CCN(C(=O)[C@H](O)c2c[nH]cn2)C1 ZINC000869393602 589602977 /nfs/dbraw/zinc/60/29/77/589602977.db2.gz OCZLKOJDRBYGGT-MWLCHTKSSA-N 0 1 233.271 0.315 20 30 BCEDMN C#CC[C@@H]1CCN(C(=O)CCc2c[nH]nn2)C1 ZINC000869394674 589603505 /nfs/dbraw/zinc/60/35/05/589603505.db2.gz WEPWDEVAZCBNKG-SNVBAGLBSA-N 0 1 232.287 0.609 20 30 BCEDMN C#CC[C@@H]1CCN(C(=O)CCc2cnn[nH]2)C1 ZINC000869394674 589603507 /nfs/dbraw/zinc/60/35/07/589603507.db2.gz WEPWDEVAZCBNKG-SNVBAGLBSA-N 0 1 232.287 0.609 20 30 BCEDMN CNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C ZINC000870154095 589646016 /nfs/dbraw/zinc/64/60/16/589646016.db2.gz YMVKHVJCKHZTDA-VVULQXIFSA-N 0 1 220.272 0.733 20 30 BCEDMN C=C[C@@H](OC(=O)[C@@H](C(C)C)N(C)C)C(=O)OC ZINC000870532535 589672020 /nfs/dbraw/zinc/67/20/20/589672020.db2.gz WTGUTMRBNMDZON-NXEZZACHSA-N 0 1 243.303 0.843 20 30 BCEDMN CN(C(=O)[C@@H]1CC1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C#N ZINC000870668564 589681742 /nfs/dbraw/zinc/68/17/42/589681742.db2.gz CJLCLAMOFMCMGD-ZYUZMQFOSA-N 0 1 237.259 0.802 20 30 BCEDMN C[N@H+]1CC[C@H](C(=O)[N-]Oc2cccc(C#N)c2)C1 ZINC000870689933 589684134 /nfs/dbraw/zinc/68/41/34/589684134.db2.gz DVOCSKRMUJOUBR-NSHDSACASA-N 0 1 245.282 0.920 20 30 BCEDMN C[C@H]1CN(C(=O)c2coc(C#N)c2)CCN1 ZINC000870913162 589696760 /nfs/dbraw/zinc/69/67/60/589696760.db2.gz RMZKLBTWIPXZFS-QMMMGPOBSA-N 0 1 219.244 0.585 20 30 BCEDMN Cc1cc(F)ncc1C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000870940887 589699748 /nfs/dbraw/zinc/69/97/48/589699748.db2.gz NOILUOYZWVZBPI-WPRPVWTQSA-N 0 1 248.261 0.371 20 30 BCEDMN Cc1cc(F)ncc1C(=O)N[C@H]1CNC[C@H]1C#N ZINC000870940883 589699750 /nfs/dbraw/zinc/69/97/50/589699750.db2.gz NOILUOYZWVZBPI-SCZZXKLOSA-N 0 1 248.261 0.371 20 30 BCEDMN C[C@@H](C#N)CNC[C@@H](O)CC(C)(C)O ZINC000872200491 589890148 /nfs/dbraw/zinc/89/01/48/589890148.db2.gz IQXLBKNSLDTGRG-IUCAKERBSA-N 0 1 200.282 0.258 20 30 BCEDMN CC(C)(O)C[C@@H](O)CNCC(C)(C)C#N ZINC000872205626 589892416 /nfs/dbraw/zinc/89/24/16/589892416.db2.gz KIZNOSOKKCGWSY-SECBINFHSA-N 0 1 214.309 0.648 20 30 BCEDMN Cc1ccnc(N)c1C=NN1CCN(C)CC1 ZINC000872325420 589913083 /nfs/dbraw/zinc/91/30/83/589913083.db2.gz QRRVLRYEVFGXFN-UHFFFAOYSA-N 0 1 233.319 0.554 20 30 BCEDMN C[C@@H]1C(N=Nc2cnccn2)CCN1C ZINC000872341669 589915009 /nfs/dbraw/zinc/91/50/09/589915009.db2.gz WPWSUMAAIVBIFZ-MRVPVSSYSA-N 0 1 205.265 0.969 20 30 BCEDMN COc1nccnc1N=NC1CCN(C)[C@@H]1C ZINC000872366685 589921308 /nfs/dbraw/zinc/92/13/08/589921308.db2.gz HWBTUNQUPHKTIW-MRVPVSSYSA-N 0 1 235.291 0.977 20 30 BCEDMN C[C@@H]1C(N=Nc2cnn(C)c2)CCN1C ZINC000872369518 589923121 /nfs/dbraw/zinc/92/31/21/589923121.db2.gz LOZSTYTVMHHHGD-MRVPVSSYSA-N 0 1 207.281 0.912 20 30 BCEDMN COCCN(C)N=Cc1c(C)ccnc1N ZINC000872372743 589923903 /nfs/dbraw/zinc/92/39/03/589923903.db2.gz KYPKZMPOBYPQMF-UHFFFAOYSA-N 0 1 222.292 0.884 20 30 BCEDMN CC[C@H](NN=C1CC[N@H+](C)[C@H]1C)C(=O)[O-] ZINC000872376492 589925772 /nfs/dbraw/zinc/92/57/72/589925772.db2.gz LNRFHADWXCRUJA-YUMQZZPRSA-N 0 1 213.281 0.519 20 30 BCEDMN CC[C@H](NN=C1CC[N@@H+](C)[C@H]1C)C(=O)[O-] ZINC000872376492 589925773 /nfs/dbraw/zinc/92/57/73/589925773.db2.gz LNRFHADWXCRUJA-YUMQZZPRSA-N 0 1 213.281 0.519 20 30 BCEDMN C[C@H]1C(N=Nc2ccncn2)CCN1C ZINC000872381162 589927993 /nfs/dbraw/zinc/92/79/93/589927993.db2.gz XMZWRLZFZNAMTE-QMMMGPOBSA-N 0 1 205.265 0.969 20 30 BCEDMN CCN(CCO)N=Cc1c(C)ccnc1N ZINC000872384075 589928868 /nfs/dbraw/zinc/92/88/68/589928868.db2.gz CGNCDNJKBLYKQA-UHFFFAOYSA-N 0 1 222.292 0.620 20 30 BCEDMN C#CCCN1CCN(C(=O)[C@@H](C)N(C)C)CC1 ZINC000874263650 590101129 /nfs/dbraw/zinc/10/11/29/590101129.db2.gz LKDRIEGXCOKIIZ-GFCCVEGCSA-N 0 1 237.347 0.104 20 30 BCEDMN C#C[C@H]1CC[C@H](NC(=O)CCc2nn[nH]n2)CC1 ZINC000874859117 590149281 /nfs/dbraw/zinc/14/92/81/590149281.db2.gz FDYGJYUQDMVGRZ-MGCOHNPYSA-N 0 1 247.302 0.441 20 30 BCEDMN C#CC[C@@H](COC)NC(=O)NCCN1CCC1 ZINC000875925148 590177684 /nfs/dbraw/zinc/17/76/84/590177684.db2.gz MRWHFKBDAWUMNG-NSHDSACASA-N 0 1 239.319 0.030 20 30 BCEDMN C#CCCCCCCN1CCO[C@H](C(N)=O)C1 ZINC000876658271 590223715 /nfs/dbraw/zinc/22/37/15/590223715.db2.gz RHRWDKMYEGSTKF-LBPRGKRZSA-N 0 1 238.331 0.756 20 30 BCEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1cccnc1F ZINC000876801435 590243066 /nfs/dbraw/zinc/24/30/66/590243066.db2.gz CFEBNPWTXQMGFH-IONNQARKSA-N 0 1 234.234 0.062 20 30 BCEDMN N#C[C@H]1CNC[C@@H]1NC(=O)C1CCC=CCC1 ZINC000876801306 590243087 /nfs/dbraw/zinc/24/30/87/590243087.db2.gz AUIBVLQOEJZZDJ-RYUDHWBXSA-N 0 1 233.315 0.961 20 30 BCEDMN N#C[C@H]1CNC[C@H]1NC(=O)c1cnn(C2CC2)c1 ZINC000876801348 590243131 /nfs/dbraw/zinc/24/31/31/590243131.db2.gz BLOGLAGXUJKVDS-GZMMTYOYSA-N 0 1 245.286 0.059 20 30 BCEDMN Cc1cocc1C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000876801264 590243170 /nfs/dbraw/zinc/24/31/70/590243170.db2.gz AELPVKAKRINYJP-WPRPVWTQSA-N 0 1 219.244 0.429 20 30 BCEDMN N#C[C@@H]1CNC[C@@H]1NC(=O)c1cccnc1F ZINC000876801433 590243172 /nfs/dbraw/zinc/24/31/72/590243172.db2.gz CFEBNPWTXQMGFH-APPZFPTMSA-N 0 1 234.234 0.062 20 30 BCEDMN C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1CNC[C@H]1C#N ZINC000876801761 590243429 /nfs/dbraw/zinc/24/34/29/590243429.db2.gz ILNMVORKBXZSIE-HAVMIZHYSA-N 0 1 233.315 0.506 20 30 BCEDMN C[C@@H]1C[C@H](C(=O)N[C@@H]2CNC[C@@H]2C#N)[C@@H](C)O1 ZINC000876802255 590243466 /nfs/dbraw/zinc/24/34/66/590243466.db2.gz NMZUPDJAXOMVGW-SAVGLBRCSA-N 0 1 237.303 0.028 20 30 BCEDMN N#C[C@H]1CNC[C@@H]1NC(=O)C1(C(F)F)CCC1 ZINC000876802501 590243634 /nfs/dbraw/zinc/24/36/34/590243634.db2.gz PLYDULLYGABINQ-YUMQZZPRSA-N 0 1 243.257 0.650 20 30 BCEDMN CCC[C@H](OCC)C(=O)N[C@H]1CNC[C@@H]1C#N ZINC000876803913 590243749 /nfs/dbraw/zinc/24/37/49/590243749.db2.gz ZKROLSMPQNITNH-DCAQKATOSA-N 0 1 239.319 0.419 20 30 BCEDMN CC1=C(C(=O)N[C@H]2CNC[C@H]2C#N)CCCO1 ZINC000876803394 590243751 /nfs/dbraw/zinc/24/37/51/590243751.db2.gz WEPKCWCHTUAJRT-KOLCDFICSA-N 0 1 235.287 0.299 20 30 BCEDMN CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1CNC[C@H]1C#N ZINC000876803023 590244075 /nfs/dbraw/zinc/24/40/75/590244075.db2.gz UFKWDCCQLBCEPS-DBIOUOCHSA-N 0 1 235.331 0.896 20 30 BCEDMN C#CCNC(=O)[C@H]1NCCc2cc(C#N)ccc21 ZINC000876943291 590259447 /nfs/dbraw/zinc/25/94/47/590259447.db2.gz OTTKKCRINVFPTH-ZDUSSCGKSA-N 0 1 239.278 0.494 20 30 BCEDMN C=CCCCC(=O)NC[C@@H]1COCCN1 ZINC000877038969 590272911 /nfs/dbraw/zinc/27/29/11/590272911.db2.gz CLZHTDAWTDYYGV-SNVBAGLBSA-N 0 1 212.293 0.447 20 30 BCEDMN C=CC[C@H](C)[N@@H+](C)CC(=O)N1CCOCC1 ZINC000877940170 590453388 /nfs/dbraw/zinc/45/33/88/590453388.db2.gz KUYJWNMMNOKDNR-NSHDSACASA-N 0 1 226.320 0.742 20 30 BCEDMN C=C1CCN(CCc2nnnn2C)CC1 ZINC000878086789 590489588 /nfs/dbraw/zinc/48/95/88/590489588.db2.gz BNFSYSCUDBVATG-UHFFFAOYSA-N 0 1 207.281 0.405 20 30 BCEDMN C=CC[C@H](C(=O)OC)N(C)Cc1nnc[nH]1 ZINC000878176305 590515924 /nfs/dbraw/zinc/51/59/24/590515924.db2.gz JUMPRGPQZXISIB-MRVPVSSYSA-N 0 1 224.264 0.354 20 30 BCEDMN C=CC[C@@H](C)N1CCN(C(=O)CO)CC1 ZINC000878305240 590538472 /nfs/dbraw/zinc/53/84/72/590538472.db2.gz VAFCFSGKVAJFCD-SNVBAGLBSA-N 0 1 212.293 0.088 20 30 BCEDMN CC(C)[C@@H](O)CCN1CCN(CCC#N)CC1 ZINC000878312326 590541120 /nfs/dbraw/zinc/54/11/20/590541120.db2.gz JGFWOAJJXMSQEE-ZDUSSCGKSA-N 0 1 239.363 0.925 20 30 BCEDMN C[C@H]1CN(Cc2ccc(C#N)o2)C[C@H]1O ZINC000878335072 590549422 /nfs/dbraw/zinc/54/94/22/590549422.db2.gz HTSVOUQCMRWIDV-GZMMTYOYSA-N 0 1 206.245 0.964 20 30 BCEDMN C=CC[C@@H](C)N1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000878379460 590556532 /nfs/dbraw/zinc/55/65/32/590556532.db2.gz LXSLSQNQQCGOQW-MNOVXSKESA-N 0 1 246.376 0.917 20 30 BCEDMN C=CC[C@H](C(=O)OC)N1CC[C@@H]([C@H](C)O)C1 ZINC000878391002 590558816 /nfs/dbraw/zinc/55/88/16/590558816.db2.gz GLZXRRHVSKAKMA-HBNTYKKESA-N 0 1 227.304 0.807 20 30 BCEDMN C#CCCCCCN1CCO[C@H](C(=O)NC)C1 ZINC000878396342 590560136 /nfs/dbraw/zinc/56/01/36/590560136.db2.gz KXUZJQMHDQSLQJ-LBPRGKRZSA-N 0 1 238.331 0.627 20 30 BCEDMN C=CC[C@H](C(=O)OC)N1CC[C@H](O)[C@H](C)C1 ZINC000878464406 590571977 /nfs/dbraw/zinc/57/19/77/590571977.db2.gz XCCPLIVEMFKUDP-MXWKQRLJSA-N 0 1 227.304 0.807 20 30 BCEDMN C#C[C@H](C)[N@@H+](C)C[C@@H]1CCc2ncnn21 ZINC000878517524 590585810 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