smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C#Cc1nc2cc(F)ccc2n1C(C)C ZINC000685963767 538910522 /nfs/dbraw/zinc/91/05/22/538910522.db2.gz FKVWOFANARQRSB-UHFFFAOYSA-N 0 0 202.232 2.738 10 30 BFEERN CCCc1nnc(NCCCCC#N)s1 ZINC000301692057 136214950 /nfs/dbraw/zinc/21/49/50/136214950.db2.gz YAWCXGGNKCFIPF-UHFFFAOYSA-N 0 0 224.333 2.596 10 30 BFEERN Cc1cc(CN[C@H]2CCC[C@@H]2C#N)cc(C)c1O ZINC000061891759 178040820 /nfs/dbraw/zinc/04/08/20/178040820.db2.gz MFYNIMIPXQYKJT-KGLIPLIRSA-N 0 0 244.338 2.791 10 30 BFEERN Cc1cc(Cl)ccc1OCCS ZINC000041211450 178069166 /nfs/dbraw/zinc/06/91/66/178069166.db2.gz KHEMBJFBHIESGR-UHFFFAOYSA-N 0 0 202.706 2.957 10 30 BFEERN CCc1ccccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000161905461 349515237 /nfs/dbraw/zinc/51/52/37/349515237.db2.gz JFQSQZVFSLYZNV-TZMCWYRMSA-N 0 0 242.322 2.671 10 30 BFEERN Cc1cc(F)ccc1[C@@H](C#N)NC(C)C ZINC000050579383 178092324 /nfs/dbraw/zinc/09/23/24/178092324.db2.gz YVNZAHLQLQIEQW-GFCCVEGCSA-N 0 0 206.264 2.697 10 30 BFEERN Cc1cc(F)ccc1[C@H](C#N)NCC1CC1 ZINC000050579726 178092375 /nfs/dbraw/zinc/09/23/75/178092375.db2.gz LHSAGGHESCYSLL-ZDUSSCGKSA-N 0 0 218.275 2.698 10 30 BFEERN Cc1cc(NCCCCCCO)c(C#N)c(C)n1 ZINC000224477626 178157960 /nfs/dbraw/zinc/15/79/60/178157960.db2.gz PXHPJZPHRHPIAK-UHFFFAOYSA-N 0 0 247.342 2.535 10 30 BFEERN Cc1cc(N[C@H](C)C(C)C)cc(C#N)n1 ZINC000308837032 178184130 /nfs/dbraw/zinc/18/41/30/178184130.db2.gz INAFLXAVDSWSCZ-SNVBAGLBSA-N 0 0 203.289 2.718 10 30 BFEERN Cc1c(Br)cc([N+](=O)[O-])cc1C#N ZINC000139331083 361745374 /nfs/dbraw/zinc/74/53/74/361745374.db2.gz AABMKAOZFRKWIX-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN Cc1cc(OCCC/C(N)=N/O)ccc1Cl ZINC000019815210 178209210 /nfs/dbraw/zinc/20/92/10/178209210.db2.gz XANXKYIUHJGFFS-UHFFFAOYSA-N 0 0 242.706 2.554 10 30 BFEERN Cc1cc([C@@H](C#N)NC(C)C)c(C)s1 ZINC000049687504 178219071 /nfs/dbraw/zinc/21/90/71/178219071.db2.gz KQNHOXWDLAMFHV-LLVKDONJSA-N 0 0 208.330 2.928 10 30 BFEERN Cc1cc([C@@H](C#N)NC2CC2)c(C)s1 ZINC000049687506 178219757 /nfs/dbraw/zinc/21/97/57/178219757.db2.gz YHBDZEXOPYBRMG-LLVKDONJSA-N 0 0 206.314 2.682 10 30 BFEERN Cc1cc(S[C@H]2CCO[C@H]2C)c(C#N)c(C)n1 ZINC000229329791 178220271 /nfs/dbraw/zinc/22/02/71/178220271.db2.gz NVSQYZRRBFUERD-JQWIXIFHSA-N 0 0 248.351 2.840 10 30 BFEERN COC(=O)C#Cc1c(Cl)cccc1Cl ZINC000070835229 361778442 /nfs/dbraw/zinc/77/84/42/361778442.db2.gz KGEMAOZMEIWBLP-UHFFFAOYSA-N 0 0 229.062 2.518 10 30 BFEERN Cc1cc([C@H](C#N)NCC2CC2)c(C)s1 ZINC000049687617 178243924 /nfs/dbraw/zinc/24/39/24/178243924.db2.gz NHFMRKZXSXKGPM-LBPRGKRZSA-N 0 0 220.341 2.929 10 30 BFEERN Cc1cc([C@H](C#N)NC(C)C)c(C)s1 ZINC000049687505 178244083 /nfs/dbraw/zinc/24/40/83/178244083.db2.gz KQNHOXWDLAMFHV-NSHDSACASA-N 0 0 208.330 2.928 10 30 BFEERN Cc1cc(N(C)CC(C)C)c(C#N)c(C)n1 ZINC000157387482 398250291 /nfs/dbraw/zinc/25/02/91/398250291.db2.gz JVYNOQWRDDCMLD-UHFFFAOYSA-N 0 0 217.316 2.662 10 30 BFEERN Cc1cc2onc(CCS)c2cc1C ZINC000031888741 178307569 /nfs/dbraw/zinc/30/75/69/178307569.db2.gz BFELNMVNDVYOJD-UHFFFAOYSA-N 0 0 207.298 2.917 10 30 BFEERN C#Cc1ccccc1O[C@H]1CCCCO1 ZINC000063772356 398253060 /nfs/dbraw/zinc/25/30/60/398253060.db2.gz CRBFDLCMFUQUEE-ZDUSSCGKSA-N 0 0 202.253 2.573 10 30 BFEERN Cc1ccc(C#N)cc1N[C@@H]1CCC[C@@H]1C#N ZINC000054828900 178367849 /nfs/dbraw/zinc/36/78/49/178367849.db2.gz BDJWVZLAHLIWAI-CHWSQXEVSA-N 0 0 225.295 2.971 10 30 BFEERN Cc1ccc(C#N)c(Sc2ccncc2N)c1 ZINC000051596085 178366631 /nfs/dbraw/zinc/36/66/31/178366631.db2.gz ZQOQDZSXHKGDQB-UHFFFAOYSA-N 0 0 241.319 2.995 10 30 BFEERN Cc1cccc([C@@H](C)c2ncc[nH]2)c1C#N ZINC000114417736 343999070 /nfs/dbraw/zinc/99/90/70/343999070.db2.gz DZDGZHBZWAOSJD-SNVBAGLBSA-N 0 0 211.268 2.742 10 30 BFEERN C#CC[C@@H](O)Cc1ccc(Cl)cc1Cl ZINC000051074423 346826915 /nfs/dbraw/zinc/82/69/15/346826915.db2.gz OMLXOLCQGUUHRG-SNVBAGLBSA-N 0 0 229.106 2.920 10 30 BFEERN C=CC(=O)[C@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000405516331 538960156 /nfs/dbraw/zinc/96/01/56/538960156.db2.gz RYXYIKRELRJBQH-ZDUSSCGKSA-N 0 0 239.315 2.531 10 30 BFEERN C=CCCC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000405720557 538961000 /nfs/dbraw/zinc/96/10/00/538961000.db2.gz PAIIAIORCUBKOT-UHFFFAOYSA-N 0 0 239.315 2.579 10 30 BFEERN CC1CCC(=O)C1=Nc1ccccc1C#N ZINC000143960792 342691267 /nfs/dbraw/zinc/69/12/67/342691267.db2.gz XRMFSTWDLNKUQD-UHFFFAOYSA-N 0 0 212.252 2.607 10 30 BFEERN CC(C)(C)CCCCCC(=O)OC[C@@H]1CO1 ZINC000002557029 342724042 /nfs/dbraw/zinc/72/40/42/342724042.db2.gz FIWHJQPAGLNURC-NSHDSACASA-N 0 0 228.332 2.925 10 30 BFEERN C=CCC[C@H](CO)COc1ccc(F)cc1 ZINC000146459652 342769824 /nfs/dbraw/zinc/76/98/24/342769824.db2.gz XBVKJAUPEREBBX-LLVKDONJSA-N 0 0 224.275 2.779 10 30 BFEERN Cc1ccc(CN[C@@H]2CCCC[C@H]2C#N)o1 ZINC000054829808 398283455 /nfs/dbraw/zinc/28/34/55/398283455.db2.gz WWLYLELORLOXRV-WCQYABFASA-N 0 0 218.300 2.760 10 30 BFEERN O=C1C=CC(O)(c2ccc3ccccc3c2)C=C1 ZINC000006584485 342779807 /nfs/dbraw/zinc/77/98/07/342779807.db2.gz FEMIGINZASPGHE-UHFFFAOYSA-N 0 0 236.270 2.723 10 30 BFEERN C=CCOc1ccc(C(=O)OC)c(OCC=C)c1 ZINC000149719950 342793911 /nfs/dbraw/zinc/79/39/11/342793911.db2.gz LXUYCMWGESPVHI-UHFFFAOYSA-N 0 0 248.278 2.603 10 30 BFEERN N#CCC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000127076150 342835938 /nfs/dbraw/zinc/83/59/38/342835938.db2.gz KGHOOICGHRTHME-HTQZYQBOSA-N 0 0 219.206 2.838 10 30 BFEERN Cc1cc(C(F)(F)F)ccc1C[C@H]1CO1 ZINC000226571491 342836521 /nfs/dbraw/zinc/83/65/21/342836521.db2.gz KNQRBDYDERXXNJ-JTQLQIEISA-N 0 0 216.202 2.955 10 30 BFEERN O=CCSc1nccc2ccccc21 ZINC000401583023 342839665 /nfs/dbraw/zinc/83/96/65/342839665.db2.gz RAPGOOBDDUTIHR-UHFFFAOYSA-N 0 0 203.266 2.526 10 30 BFEERN C=CCSCC(=O)c1ccccc1OC ZINC000389390165 539016570 /nfs/dbraw/zinc/01/65/70/539016570.db2.gz VHYBNEWLTBDSRF-UHFFFAOYSA-N 0 0 222.309 2.797 10 30 BFEERN C=CCSCC(=O)c1cccc(F)c1 ZINC000308560956 342854997 /nfs/dbraw/zinc/85/49/97/342854997.db2.gz VZVNJYBQJXSMPW-UHFFFAOYSA-N 0 0 210.273 2.928 10 30 BFEERN N#CCc1cc(F)c(OC(F)F)c(F)c1 ZINC000059699594 342855190 /nfs/dbraw/zinc/85/51/90/342855190.db2.gz GGKZJTLSXZOAID-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN CC[C@@H](C)C(=O)c1cccc(F)c1C#N ZINC000308816633 342873342 /nfs/dbraw/zinc/87/33/42/342873342.db2.gz VQGKJRIOSREMOJ-MRVPVSSYSA-N 0 0 205.232 2.926 10 30 BFEERN CN(C)c1ccc(C#Cc2ccccc2N)cc1 ZINC000003101839 342878894 /nfs/dbraw/zinc/87/88/94/342878894.db2.gz QWBVYVKRKGMQME-UHFFFAOYSA-N 0 0 236.318 2.735 10 30 BFEERN C=C=CC(=O)c1c(F)cccc1Br ZINC000165096305 342874785 /nfs/dbraw/zinc/87/47/85/342874785.db2.gz QPGJKVDJGBROCM-UHFFFAOYSA-N 0 0 241.059 2.794 10 30 BFEERN CN(C)c1ccc(/N=C\c2ccncc2)cc1 ZINC000101346886 398318559 /nfs/dbraw/zinc/31/85/59/398318559.db2.gz LPMPLAUWYMTZIV-WJDWOHSUSA-N 0 0 225.295 2.898 10 30 BFEERN C=C(C)C(=O)c1ccc(C(=O)OC)cc1C ZINC000309180606 342903301 /nfs/dbraw/zinc/90/33/01/342903301.db2.gz CUKKSZWHNLPSPV-UHFFFAOYSA-N 0 0 218.252 2.540 10 30 BFEERN Cc1cnccc1CN[C@H]1CCCC[C@H]1C#N ZINC000228668967 398325720 /nfs/dbraw/zinc/32/57/20/398325720.db2.gz FSRXOWLQQZJMEX-JSGCOSHPSA-N 0 0 229.327 2.562 10 30 BFEERN N#CCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000309262752 342926813 /nfs/dbraw/zinc/92/68/13/342926813.db2.gz VZPLFJNQIABRNL-UHFFFAOYSA-N 0 0 230.145 2.680 10 30 BFEERN C=C=CC(=O)c1sccc1Br ZINC000167703572 346900163 /nfs/dbraw/zinc/90/01/63/346900163.db2.gz YSYNCXALQLFFTH-UHFFFAOYSA-N 0 0 229.098 2.717 10 30 BFEERN C=CC[C@@H](OC(C)=O)c1cccc(OC)c1 ZINC000021990235 187206072 /nfs/dbraw/zinc/20/60/72/187206072.db2.gz KFIKGUVDOCFSRD-CYBMUJFWSA-N 0 0 220.268 2.876 10 30 BFEERN C#CCC(=O)c1cc(F)ccc1Br ZINC000167707040 346900868 /nfs/dbraw/zinc/90/08/68/346900868.db2.gz LUDAWOZCAAPCNX-UHFFFAOYSA-N 0 0 241.059 2.794 10 30 BFEERN CCC(F)(F)CN[C@@H]1CCCC[C@@H]1C#N ZINC000602882841 349791769 /nfs/dbraw/zinc/79/17/69/349791769.db2.gz FTQNJHSXPAJNDI-NXEZZACHSA-N 0 0 216.275 2.704 10 30 BFEERN C=CCCCC(=O)N1CCCC[C@H]1c1cn[nH]c1 ZINC000177857194 187228024 /nfs/dbraw/zinc/22/80/24/187228024.db2.gz AQRXXKKCFIWFCE-ZDUSSCGKSA-N 0 0 247.342 2.820 10 30 BFEERN C=CC(=O)c1ccc(Br)s1 ZINC000071519917 362006037 /nfs/dbraw/zinc/00/60/37/362006037.db2.gz RMDRHYODIPOYGJ-UHFFFAOYSA-N 0 0 217.087 2.879 10 30 BFEERN CC[C@@H](Nc1ncccc1C#N)C(C)C ZINC000042591160 362011400 /nfs/dbraw/zinc/01/14/00/362011400.db2.gz SSVRHYQCGMHRTP-LLVKDONJSA-N 0 0 203.289 2.800 10 30 BFEERN C[C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000383211544 362013156 /nfs/dbraw/zinc/01/31/56/362013156.db2.gz PZTCZTFXCGHFFR-XQHKEYJVSA-N 0 0 234.343 2.621 10 30 BFEERN C#CC[NH2+]Cc1c(OC)ccc2ccccc21 ZINC000037247890 187230359 /nfs/dbraw/zinc/23/03/59/187230359.db2.gz UIBJVCXCJBWOFP-UHFFFAOYSA-N 0 0 225.291 2.571 10 30 BFEERN CCCCCC#CCC(=O)C(OCC)OCC ZINC000043504179 343101040 /nfs/dbraw/zinc/10/10/40/343101040.db2.gz ZMUNRSFGOADUKS-UHFFFAOYSA-N 0 0 240.343 2.928 10 30 BFEERN CC(C)CCC#C[C@H]1C[C@H]1c1c[nH]cn1 ZINC000013795262 343104419 /nfs/dbraw/zinc/10/44/19/343104419.db2.gz OWZPODIBWTYIFN-NWDGAFQWSA-N 0 0 202.301 2.953 10 30 BFEERN C[C@H](C#N)Sc1c(F)cc(N)cc1F ZINC000043519241 343117566 /nfs/dbraw/zinc/11/75/66/343117566.db2.gz MAMRBIJDGOYLQC-RXMQYKEDSA-N 0 0 214.240 2.551 10 30 BFEERN CC(C)(CCC=O)C(=O)OCc1ccccc1 ZINC000115718395 343121001 /nfs/dbraw/zinc/12/10/01/343121001.db2.gz VYKSUCHBWBKNNL-UHFFFAOYSA-N 0 0 234.295 2.735 10 30 BFEERN CC(C)(C)[S@](=O)/N=C/c1ccc(F)cc1 ZINC000115614606 343121005 /nfs/dbraw/zinc/12/10/05/343121005.db2.gz BORKUOMEZNUZAA-XETPBLJFSA-N 0 0 227.304 2.707 10 30 BFEERN CC#CC(F)(F)P(=O)(OCC)OCC ZINC000205224699 343122399 /nfs/dbraw/zinc/12/23/99/343122399.db2.gz UIMZYGQHPXPPDI-UHFFFAOYSA-N 0 0 226.159 2.869 10 30 BFEERN C[C@@H](C#N)Nc1ccc(Br)cc1F ZINC000043514199 343115974 /nfs/dbraw/zinc/11/59/74/343115974.db2.gz IAFSADCZJGYDJP-LURJTMIESA-N 0 0 243.079 2.912 10 30 BFEERN CC1CCC(NC(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000360081215 136268504 /nfs/dbraw/zinc/26/85/04/136268504.db2.gz DGPJXHLCRGBAMB-POOIEITISA-N 0 0 249.358 2.557 10 30 BFEERN C[C@@H](C#N)Nc1ccc(C#N)c(Cl)c1 ZINC000043514805 343116578 /nfs/dbraw/zinc/11/65/78/343116578.db2.gz WMJGOGRUINHIEP-ZETCQYMHSA-N 0 0 205.648 2.536 10 30 BFEERN O=C(CCSc1ccc2ccccc2c1)NO ZINC000028095409 343127165 /nfs/dbraw/zinc/12/71/65/343127165.db2.gz MFFPZNIDLRANDJ-UHFFFAOYSA-N 0 0 247.319 2.827 10 30 BFEERN C=CC[C@H](OCC(OCC)OCC)C1CC1 ZINC000144682282 343137369 /nfs/dbraw/zinc/13/73/69/343137369.db2.gz RATNZNZCEZATHC-LBPRGKRZSA-N 0 0 228.332 2.757 10 30 BFEERN C#CCCCOc1ccc(F)cc1[C@@H](C)O ZINC000145063896 343197907 /nfs/dbraw/zinc/19/79/07/343197907.db2.gz JMPOTCYNSLEIBH-SNVBAGLBSA-N 0 0 222.259 2.671 10 30 BFEERN CCC1CCC(NC(=O)c2ccc(C#N)o2)CC1 ZINC000311211414 136275850 /nfs/dbraw/zinc/27/58/50/136275850.db2.gz LKHANAADRSJWER-UHFFFAOYSA-N 0 0 246.310 2.850 10 30 BFEERN CCC[C@H](C#C[Si](C)(C)C)OC(C)=O ZINC000207382244 343235751 /nfs/dbraw/zinc/23/57/51/343235751.db2.gz OEQRVLNUNYKUJU-LLVKDONJSA-N 0 0 212.365 2.599 10 30 BFEERN CC(=O)c1ccc2c(c1)[C@H]1O[C@H]1C(C)(C)O2 ZINC000022006592 343236235 /nfs/dbraw/zinc/23/62/35/343236235.db2.gz HHPHMEFAEUXBAX-VXGBXAGGSA-N 0 0 218.252 2.500 10 30 BFEERN N#CCc1ccc(Cl)nc1OC(F)(F)F ZINC000238546543 343256663 /nfs/dbraw/zinc/25/66/63/343256663.db2.gz NPIRDHCPOHQNNJ-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN CC(C)C[C@@H](C)Oc1ccc(/C(N)=N/O)cc1 ZINC000019866204 187252611 /nfs/dbraw/zinc/25/26/11/187252611.db2.gz UFXHNTXEBLDOPC-SNVBAGLBSA-N 0 0 236.315 2.595 10 30 BFEERN N#C[C@H](C(=O)c1ccncc1)c1ccc(F)cc1 ZINC000034245843 343266865 /nfs/dbraw/zinc/26/68/65/343266865.db2.gz KWUNMXGYSDRFGV-ZDUSSCGKSA-N 0 0 240.237 2.711 10 30 BFEERN Cc1ccc(C#N)c(OCC(=O)OC(C)(C)C)c1 ZINC000200137561 343268369 /nfs/dbraw/zinc/26/83/69/343268369.db2.gz IWDAWOFBVCLAEF-UHFFFAOYSA-N 0 0 247.294 2.587 10 30 BFEERN N#Cc1cccc(COCc2ccc(N)cc2)c1 ZINC000019967290 187253261 /nfs/dbraw/zinc/25/32/61/187253261.db2.gz MNNPARSHAFCUKB-UHFFFAOYSA-N 0 0 238.290 2.857 10 30 BFEERN C=CC[C@H](COCc1ccccc1)CC(=O)OC ZINC000200603815 343303912 /nfs/dbraw/zinc/30/39/12/343303912.db2.gz ZDWAAULWIVBETH-AWEZNQCLSA-N 0 0 248.322 2.959 10 30 BFEERN C=C(C)C(=O)c1ccc(C(=O)OCC)cc1 ZINC000309367612 343333242 /nfs/dbraw/zinc/33/32/42/343333242.db2.gz PSFHKKIYOKSDCY-UHFFFAOYSA-N 0 0 218.252 2.622 10 30 BFEERN N#CCc1cc(Br)c(F)cc1F ZINC000216823901 343375229 /nfs/dbraw/zinc/37/52/29/343375229.db2.gz XGCDKSPXGOGBCJ-UHFFFAOYSA-N 0 0 232.027 2.793 10 30 BFEERN CC(C)[C@H](C)N(C)c1ccc(C#N)cc1N ZINC000036787098 187259136 /nfs/dbraw/zinc/25/91/36/187259136.db2.gz GPTYOLLTUJUJMH-JTQLQIEISA-N 0 0 217.316 2.621 10 30 BFEERN CCC1=C2CC[C@@H](O)[C@]2(CC)CCC1=O ZINC000039101305 343383991 /nfs/dbraw/zinc/38/39/91/343383991.db2.gz LNGPKMOFLQZGOQ-CHWSQXEVSA-N 0 0 208.301 2.607 10 30 BFEERN N#CCc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC000148277544 343390268 /nfs/dbraw/zinc/39/02/68/343390268.db2.gz GPUGPVYYTZOIOC-UHFFFAOYSA-N 0 0 230.145 2.680 10 30 BFEERN CCCC[C@@H](C#N)NCc1ccccc1 ZINC000041053246 343414105 /nfs/dbraw/zinc/41/41/05/343414105.db2.gz SOSABVXEMVECJM-ZDUSSCGKSA-N 0 0 202.301 2.859 10 30 BFEERN C[C@H](C#N)CN(C)Cc1ccc2ccccc2n1 ZINC000042461060 343439349 /nfs/dbraw/zinc/43/93/49/343439349.db2.gz UOYFPFBWAHYNFX-GFCCVEGCSA-N 0 0 239.322 2.826 10 30 BFEERN C[C@H](CCC1CC1)NC(=O)Cc1cncnc1 ZINC000329562205 136366282 /nfs/dbraw/zinc/36/62/82/136366282.db2.gz JLXZRRCXJPWAJS-SNVBAGLBSA-N 0 0 233.315 2.554 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(F)c(F)c1 ZINC000054827362 136373124 /nfs/dbraw/zinc/37/31/24/136373124.db2.gz NJFDRVPJIPEVPG-GWCFXTLKSA-N 0 0 236.265 2.747 10 30 BFEERN N#C[C@@H](NC1CCCCC1)c1ccc(O)c(O)c1 ZINC000037969236 187261768 /nfs/dbraw/zinc/26/17/68/187261768.db2.gz TUZZPAZNEWKBEZ-GFCCVEGCSA-N 0 0 246.310 2.585 10 30 BFEERN Cc1cc(NCc2cscn2)c(C#N)c(C)n1 ZINC000157438203 133486134 /nfs/dbraw/zinc/48/61/34/133486134.db2.gz KJLACGYKLQVHNM-UHFFFAOYSA-N 0 0 244.323 2.639 10 30 BFEERN CC(C)(C)[C@H](C#N)NCc1ccccc1 ZINC000039170007 187263094 /nfs/dbraw/zinc/26/30/94/187263094.db2.gz NQEXMNYCHAHCKT-LBPRGKRZSA-N 0 0 202.301 2.714 10 30 BFEERN C[C@H]1CS[C@@H](c2ccc(C#N)cc2)O1 ZINC000039105451 187263528 /nfs/dbraw/zinc/26/35/28/187263528.db2.gz VSFZZQZBZSRIHI-KWQFWETISA-N 0 0 205.282 2.709 10 30 BFEERN O=C1c2ccccc2N/C1=C/c1[nH]ccc1F ZINC000045817543 343534912 /nfs/dbraw/zinc/53/49/12/343534912.db2.gz RSYGYXAYNGUWHU-KPKJPENVSA-N 0 0 228.226 2.803 10 30 BFEERN Cc1c[nH]c(/C=C2/Nc3ccccc3C2=O)c1 ZINC000045817534 343535009 /nfs/dbraw/zinc/53/50/09/343535009.db2.gz PNSPAIZSVGDZTQ-NTUHNPAUSA-N 0 0 224.263 2.972 10 30 BFEERN C[Si](C)(C)C#Cc1cccc2nsnc21 ZINC000204060051 343557688 /nfs/dbraw/zinc/55/76/88/343557688.db2.gz DATOKWBVTGVILN-UHFFFAOYSA-N 0 0 232.384 2.920 10 30 BFEERN N#CCC[C@H](O)c1ccc(Cl)s1 ZINC000041210943 187264282 /nfs/dbraw/zinc/26/42/82/187264282.db2.gz UJEUXBDEXMOMSA-LURJTMIESA-N 0 0 201.678 2.739 10 30 BFEERN SCCOc1ccc2c(c1)CCCC2 ZINC000041218015 187264388 /nfs/dbraw/zinc/26/43/88/187264388.db2.gz SHKIIMPROCFQRS-UHFFFAOYSA-N 0 0 208.326 2.874 10 30 BFEERN CC(C)N(CCC#N)c1nc2ccccc2o1 ZINC000042530851 187265990 /nfs/dbraw/zinc/26/59/90/187265990.db2.gz IBWPNOJQJKAEQD-UHFFFAOYSA-N 0 0 229.283 2.956 10 30 BFEERN C[C@H]1CCCC[C@]1(O)C#C[Si](C)(C)C ZINC000207477255 343618165 /nfs/dbraw/zinc/61/81/65/343618165.db2.gz ZACBSHBQFXVIHL-RYUDHWBXSA-N 0 0 210.393 2.808 10 30 BFEERN N#Cc1ccc(OC(F)(F)F)nc1C(F)F ZINC000309507590 343644328 /nfs/dbraw/zinc/64/43/28/343644328.db2.gz MGNHOBABIFOKEA-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN N#Cc1cnc(C(F)F)cc1OC(F)(F)F ZINC000309514940 343661899 /nfs/dbraw/zinc/66/18/99/343661899.db2.gz UBYLZGQGDUTRFW-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN Cc1cc(-c2cnccc2[C@H](C)O)ccc1C#N ZINC000166632345 343708785 /nfs/dbraw/zinc/70/87/85/343708785.db2.gz LMBVXEOQMITRIG-NSHDSACASA-N 0 0 238.290 2.982 10 30 BFEERN N#Cc1cccc(CNc2cccc(F)n2)c1 ZINC000048805681 187269396 /nfs/dbraw/zinc/26/93/96/187269396.db2.gz IHJVFLKPMMIBCX-UHFFFAOYSA-N 0 0 227.242 2.704 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@]12CCC[C@H](C(C)C)C2 ZINC000300236161 537813826 /nfs/dbraw/zinc/81/38/26/537813826.db2.gz JOWIEFUXIFMCRE-DLOVCJGASA-N 0 0 246.734 2.710 10 30 BFEERN CCOC(=O)[C@@H]1O[C@@]12CCC[C@H](C(C)C)C2 ZINC000300237521 537814205 /nfs/dbraw/zinc/81/42/05/537814205.db2.gz ZTLXDOPHPFVEAQ-GMXVVIOVSA-N 0 0 226.316 2.533 10 30 BFEERN COC(=O)[C@@H]1O[C@]12CCC[C@H](CC(C)C)C2 ZINC000300239456 537814344 /nfs/dbraw/zinc/81/43/44/537814344.db2.gz ACFNIPRKUCMYBK-MDZLAQPJSA-N 0 0 226.316 2.533 10 30 BFEERN N#Cc1c(-c2ccncc2)n[nH]c1C1CCC1 ZINC000409442095 343857333 /nfs/dbraw/zinc/85/73/33/343857333.db2.gz WLXLAVLUKZVXMG-UHFFFAOYSA-N 0 0 224.267 2.611 10 30 BFEERN CC(C)c1cc(-c2ccccn2)nn1CC#N ZINC000409441282 343856103 /nfs/dbraw/zinc/85/61/03/343856103.db2.gz QPYLFSGAQGASLX-UHFFFAOYSA-N 0 0 226.283 2.592 10 30 BFEERN C=CC[C@@](C#N)(C(=O)OCC)[C@@H](C)C#CCC ZINC000071792957 187276516 /nfs/dbraw/zinc/27/65/16/187276516.db2.gz CWJBQWKCRLZBCR-JSGCOSHPSA-N 0 0 233.311 2.685 10 30 BFEERN CCn1cc(CC#N)c(-c2cccs2)n1 ZINC000409438596 343844896 /nfs/dbraw/zinc/84/48/96/343844896.db2.gz MCFXVSLTPYXFJP-UHFFFAOYSA-N 0 0 217.297 2.698 10 30 BFEERN C#C[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1 ZINC000306584498 343848506 /nfs/dbraw/zinc/84/85/06/343848506.db2.gz QCBDGAXQZUXRTG-HAQNSBGRSA-N 0 0 237.343 2.951 10 30 BFEERN CCc1cc(-c2ccsc2)nn1CC#N ZINC000409437856 343848924 /nfs/dbraw/zinc/84/89/24/343848924.db2.gz AOTMIKQXYFGRCP-UHFFFAOYSA-N 0 0 217.297 2.698 10 30 BFEERN CC(C)c1[nH]nc(C2CC2)c1CCC#N ZINC000409441352 343859004 /nfs/dbraw/zinc/85/90/04/343859004.db2.gz RFFLMFXMIHSYPO-UHFFFAOYSA-N 0 0 203.289 2.867 10 30 BFEERN C=C(C)CNc1cc(Cl)nc(Cl)n1 ZINC000306897620 343889552 /nfs/dbraw/zinc/88/95/52/343889552.db2.gz UKTJFQRAQCGWTK-UHFFFAOYSA-N 0 0 218.087 2.771 10 30 BFEERN N#Cc1c(F)cccc1N1C[C@@H]2CCC[C@H]21 ZINC000334582233 343893514 /nfs/dbraw/zinc/89/35/14/343893514.db2.gz DOPSLYDJISLMGO-JOYOIKCWSA-N 0 0 216.259 2.686 10 30 BFEERN CC#C[C@H](O)c1ccc(Br)s1 ZINC000307534373 343947318 /nfs/dbraw/zinc/94/73/18/343947318.db2.gz AVCLWSZSGUZEDP-LURJTMIESA-N 0 0 231.114 2.567 10 30 BFEERN COc1ccc(CC#N)c(OC(F)(F)F)c1 ZINC000309572365 343932497 /nfs/dbraw/zinc/93/24/97/343932497.db2.gz XEUGWMBVSXMQGJ-UHFFFAOYSA-N 0 0 231.173 2.660 10 30 BFEERN C#CCC(=O)c1c(C)cccc1Br ZINC000307367211 343932524 /nfs/dbraw/zinc/93/25/24/343932524.db2.gz MNMFUYWTZXXTBQ-UHFFFAOYSA-N 0 0 237.096 2.964 10 30 BFEERN C#C[C@H](C)Nc1ccc(Br)cc1 ZINC000135162780 343955204 /nfs/dbraw/zinc/95/52/04/343955204.db2.gz HMKJRNVZIWIRRA-QMMMGPOBSA-N 0 0 224.101 2.883 10 30 BFEERN CC(C)Cc1ccc([C@H](C)C(=O)N(C)O)cc1 ZINC000026181032 344127844 /nfs/dbraw/zinc/12/78/44/344127844.db2.gz LIUJRXOTKOJLOG-NSHDSACASA-N 0 0 235.327 2.836 10 30 BFEERN C#CC[C@@H](CC)Nc1ccc(Cl)cn1 ZINC000127305664 344128685 /nfs/dbraw/zinc/12/86/85/344128685.db2.gz PLXHOQNEVXDZJP-SNVBAGLBSA-N 0 0 208.692 2.949 10 30 BFEERN N#CCc1ccc(Cl)c(N)c1Cl ZINC000145517268 344294707 /nfs/dbraw/zinc/29/47/07/344294707.db2.gz XGJVYCXFRXLRLY-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN Cc1cc(Br)cc(F)c1CC#N ZINC000219847232 344300651 /nfs/dbraw/zinc/30/06/51/344300651.db2.gz CMUDYJMDQYMCJC-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN Cc1ccc(CN[C@H]2CCCC[C@H]2C#N)cn1 ZINC000062053081 344305224 /nfs/dbraw/zinc/30/52/24/344305224.db2.gz QVKXRNVDLZOVDQ-KBPBESRZSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1ccc(CN[C@@H]2CCCC[C@H]2C#N)cn1 ZINC000062053080 344305355 /nfs/dbraw/zinc/30/53/55/344305355.db2.gz QVKXRNVDLZOVDQ-UONOGXRCSA-N 0 0 229.327 2.562 10 30 BFEERN C#C[C@@H](O)c1cc(Cl)sc1Cl ZINC000236550678 344397495 /nfs/dbraw/zinc/39/74/95/344397495.db2.gz SNVOSWXMJLDEBS-RXMQYKEDSA-N 0 0 207.081 2.722 10 30 BFEERN C=CC(=O)c1ccc(OC)cc1Br ZINC000234881078 344435849 /nfs/dbraw/zinc/43/58/49/344435849.db2.gz GDNCMLOINWPOQV-UHFFFAOYSA-N 0 0 241.084 2.826 10 30 BFEERN N#Cc1c(C2CCC2)n[nH]c1C1CCC1 ZINC000409440504 344461050 /nfs/dbraw/zinc/46/10/50/344461050.db2.gz MYXFEIBERQHNLQ-UHFFFAOYSA-N 0 0 201.273 2.816 10 30 BFEERN COc1cccc(CN[C@@H]2CCCC[C@@H]2C#N)c1 ZINC000054825537 344471643 /nfs/dbraw/zinc/47/16/43/344471643.db2.gz TZCVBKLTTHLZNS-UKRRQHHQSA-N 0 0 244.338 2.867 10 30 BFEERN Cc1nc(N2CCC3(CC3)C2)c(Cl)cc1C#N ZINC000400376656 344541477 /nfs/dbraw/zinc/54/14/77/344541477.db2.gz ILCVAUGKRBSFDP-UHFFFAOYSA-N 0 0 247.729 2.905 10 30 BFEERN N#C[C@]1(Br)CCc2ccccc21 ZINC000127592593 344569314 /nfs/dbraw/zinc/56/93/14/344569314.db2.gz HGHMITMIMWZTLT-SNVBAGLBSA-N 0 0 222.085 2.747 10 30 BFEERN C=C(C)c1nc(Br)cs1 ZINC000072192425 187359218 /nfs/dbraw/zinc/35/92/18/187359218.db2.gz XTCMIIQJNNZXLK-UHFFFAOYSA-N 0 0 204.092 2.939 10 30 BFEERN N#CCc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000396079989 344597810 /nfs/dbraw/zinc/59/78/10/344597810.db2.gz VGLAFLDYTNNDGB-UHFFFAOYSA-N 0 0 226.157 2.523 10 30 BFEERN CC[C@H]1CC[C@](Br)(C#N)C1 ZINC000127721331 344611201 /nfs/dbraw/zinc/61/12/01/344611201.db2.gz JBMVGDLRDZYXIN-JGVFFNPUSA-N 0 0 202.095 2.854 10 30 BFEERN N#CCc1ccc(C(F)(F)F)c(C#N)c1 ZINC000396102116 344602938 /nfs/dbraw/zinc/60/29/38/344602938.db2.gz HXEKZSAIQFAJIG-UHFFFAOYSA-N 0 0 210.158 2.643 10 30 BFEERN N#CCc1c(C#N)cccc1C(F)(F)F ZINC000396107906 344603765 /nfs/dbraw/zinc/60/37/65/344603765.db2.gz VEXDSITWWLHDFV-UHFFFAOYSA-N 0 0 210.158 2.643 10 30 BFEERN C#CC[C@@H](C)NC(=O)c1ccc(Cl)s1 ZINC000127693910 344606853 /nfs/dbraw/zinc/60/68/53/344606853.db2.gz IRBVSMRYPFGNCI-SSDOTTSWSA-N 0 0 227.716 2.543 10 30 BFEERN CC#CCCNc1ccc(Br)cn1 ZINC000158497615 344668314 /nfs/dbraw/zinc/66/83/14/344668314.db2.gz HXRIAVHABTUJRZ-UHFFFAOYSA-N 0 0 239.116 2.669 10 30 BFEERN C[C@@](Br)(C#N)C1CCCC1 ZINC000127715867 344622021 /nfs/dbraw/zinc/62/20/21/344622021.db2.gz PCKLUPDBKDLOPF-MRVPVSSYSA-N 0 0 202.095 2.854 10 30 BFEERN N#Cc1c(Cl)ccc(N)c1OC(F)(F)F ZINC000396148689 344622622 /nfs/dbraw/zinc/62/26/22/344622622.db2.gz HHPLUWZXKZENMB-UHFFFAOYSA-N 0 0 236.580 2.692 10 30 BFEERN CSc1sc(C#N)c(N)c1SC ZINC000235078463 344765610 /nfs/dbraw/zinc/76/56/10/344765610.db2.gz REDIXYMTPJYVRJ-UHFFFAOYSA-N 0 0 216.356 2.646 10 30 BFEERN C[C@@H](C=O)c1ccc(F)cc1Br ZINC000235080600 344774474 /nfs/dbraw/zinc/77/44/74/344774474.db2.gz DAEGHAPOHSRBID-LURJTMIESA-N 0 0 231.064 2.891 10 30 BFEERN CC(C)(C)[S@](=O)N=C(C1CC1)C1CC1 ZINC000117794051 344756080 /nfs/dbraw/zinc/75/60/80/344756080.db2.gz COSKRIUQQKLWLM-CQSZACIVSA-N 0 0 213.346 2.710 10 30 BFEERN Cc1c(O)cc(-c2ccccc2)c(O)c1C#N ZINC000039096133 344801503 /nfs/dbraw/zinc/80/15/03/344801503.db2.gz JSGNTCWNBUOZAX-UHFFFAOYSA-N 0 0 225.247 2.945 10 30 BFEERN CC(C)COc1ccc(F)cc1C#CCCO ZINC000037653967 187293377 /nfs/dbraw/zinc/29/33/77/187293377.db2.gz SBLMMMNOZYIDAC-UHFFFAOYSA-N 0 0 236.286 2.594 10 30 BFEERN CC(C)c1ccc2c(c1)C(=O)[C@H](C#N)CO2 ZINC000135777578 344889514 /nfs/dbraw/zinc/88/95/14/344889514.db2.gz GRDRXSYCCGBOBG-SNVBAGLBSA-N 0 0 215.252 2.525 10 30 BFEERN O=Cc1ccsc1C#Cc1ccccc1 ZINC000238682198 344898756 /nfs/dbraw/zinc/89/87/56/344898756.db2.gz YYVYYNMYBBOPRR-UHFFFAOYSA-N 0 0 212.273 2.960 10 30 BFEERN C[C@H](C#N)[C@@H](O)c1ccc(F)cc1Cl ZINC000235405922 344903685 /nfs/dbraw/zinc/90/36/85/344903685.db2.gz RZPBHRMKUFIRLS-LHLIQPBNSA-N 0 0 213.639 2.672 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1cc(F)cc(F)c1 ZINC000224371161 344905164 /nfs/dbraw/zinc/90/51/64/344905164.db2.gz LJRUZWNNOZYPJX-ZWNOBZJWSA-N 0 0 236.265 2.747 10 30 BFEERN C#C[C@H](C)Oc1ccc(Cl)cc1C=O ZINC000235533564 344933880 /nfs/dbraw/zinc/93/38/80/344933880.db2.gz NIUBBSIEMVXSMQ-QMMMGPOBSA-N 0 0 208.644 2.553 10 30 BFEERN C[C@H](S)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000235559776 344938471 /nfs/dbraw/zinc/93/84/71/344938471.db2.gz GVRSHFPEZWRPFJ-WDSKDSINSA-N 0 0 249.788 2.897 10 30 BFEERN C#C[C@H](C)Oc1cc(Cl)ccc1C=O ZINC000235552781 344939689 /nfs/dbraw/zinc/93/96/89/344939689.db2.gz ZODKIIOZWPADQC-QMMMGPOBSA-N 0 0 208.644 2.553 10 30 BFEERN C#C[C@H](C)Nc1ccc2ncsc2c1 ZINC000235557384 344940695 /nfs/dbraw/zinc/94/06/95/344940695.db2.gz KLAZDIVDBIZWEL-QMMMGPOBSA-N 0 0 202.282 2.730 10 30 BFEERN N#Cc1nc2c(cccc2OC(F)F)s1 ZINC000238530499 345068280 /nfs/dbraw/zinc/06/82/80/345068280.db2.gz DTLUXKULEPLTSD-UHFFFAOYSA-N 0 0 226.207 2.769 10 30 BFEERN N#CCc1cnc(Cl)cc1OC(F)(F)F ZINC000238531221 345070482 /nfs/dbraw/zinc/07/04/82/345070482.db2.gz YWNYVRNTDUJKRQ-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN N#Cc1cncc(OC(F)(F)F)c1Cl ZINC000238543040 345073590 /nfs/dbraw/zinc/07/35/90/345073590.db2.gz OWCGLGIZVKHUEA-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#Cc1c(Cl)cncc1OC(F)(F)F ZINC000238543739 345074075 /nfs/dbraw/zinc/07/40/75/345074075.db2.gz ZXQXVNOBSOMLRF-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN C=CC[C@@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000667644196 537887993 /nfs/dbraw/zinc/88/79/93/537887993.db2.gz XIHBETZVHLAPNN-OAHLLOKOSA-N 0 0 245.322 2.539 10 30 BFEERN C=CCNc1ccc(C(F)(F)F)cc1N ZINC000052923485 187300814 /nfs/dbraw/zinc/30/08/14/187300814.db2.gz PKZMKYQHMQBRAS-UHFFFAOYSA-N 0 0 216.206 2.886 10 30 BFEERN C=CCCCCCN(C)C(=O)[C@@H]1CC[C@H](C)O1 ZINC000155966824 345114887 /nfs/dbraw/zinc/11/48/87/345114887.db2.gz VZNMJMRQCWFNAN-STQMWFEESA-N 0 0 239.359 2.759 10 30 BFEERN CC(C)c1cc(N[C@@H]2CCC[C@@H]2C#N)ncn1 ZINC000408327492 345175984 /nfs/dbraw/zinc/17/59/84/345175984.db2.gz DXNMPIOHKXMKEP-GHMZBOCLSA-N 0 0 230.315 2.704 10 30 BFEERN Cc1ccc([C@@H](C#N)NC2CC2)cc1C ZINC000037180317 178831879 /nfs/dbraw/zinc/83/18/79/178831879.db2.gz HMADYPQSGIFPLX-CYBMUJFWSA-N 0 0 200.285 2.620 10 30 BFEERN C/C=C\CN(CC#N)Cc1ccccc1 ZINC000215778102 349924113 /nfs/dbraw/zinc/92/41/13/349924113.db2.gz KZENESDHVCOISR-IHWYPQMZSA-N 0 0 200.285 2.588 10 30 BFEERN Cc1ccc(Sc2ncc(N)cc2C#N)cc1 ZINC000037759403 178830311 /nfs/dbraw/zinc/83/03/11/178830311.db2.gz UPRINKQOFBRPGS-UHFFFAOYSA-N 0 0 241.319 2.995 10 30 BFEERN CC#CCOc1c(Cl)cccc1C=O ZINC000159176817 345409075 /nfs/dbraw/zinc/40/90/75/345409075.db2.gz GJFAMXMGDSPAKT-UHFFFAOYSA-N 0 0 208.644 2.555 10 30 BFEERN CC(C)(C)SCc1cccnc1C#N ZINC000061665028 345808534 /nfs/dbraw/zinc/80/85/34/345808534.db2.gz RBNMIQWQFBEHNA-UHFFFAOYSA-N 0 0 206.314 2.985 10 30 BFEERN CCOC(=O)c1ccc(CCCCC=O)cc1 ZINC000034300663 345820901 /nfs/dbraw/zinc/82/09/01/345820901.db2.gz JIVLMGLEHMMRHB-UHFFFAOYSA-N 0 0 234.295 2.775 10 30 BFEERN N#Cc1ccnc(Cl)c1C(F)(F)F ZINC000307427836 345776242 /nfs/dbraw/zinc/77/62/42/345776242.db2.gz HBDWJBKSPCHGKH-UHFFFAOYSA-N 0 0 206.554 2.625 10 30 BFEERN C=C[C@H](O)CCCOCc1ccc(OC)cc1 ZINC000034586794 345834007 /nfs/dbraw/zinc/83/40/07/345834007.db2.gz MSIYIYMCVUMKMB-ZDUSSCGKSA-N 0 0 236.311 2.539 10 30 BFEERN COc1ccc(C#N)cc1C#C[Si](C)(C)C ZINC000196192701 345839877 /nfs/dbraw/zinc/83/98/77/345839877.db2.gz ZAWIAIFUHNTRPM-UHFFFAOYSA-N 0 0 229.355 2.796 10 30 BFEERN CN1CCCC/C1=N/C(=O)Nc1ccccc1 ZINC000143111278 345891362 /nfs/dbraw/zinc/89/13/62/345891362.db2.gz MMNUVEJHPQKMEN-QINSGFPZSA-N 0 0 231.299 2.733 10 30 BFEERN N#Cc1ccc(-c2ccc(N)c(N)c2F)cc1 ZINC000143622054 345866163 /nfs/dbraw/zinc/86/61/63/345866163.db2.gz NFGQXRSVMGEZIX-UHFFFAOYSA-N 0 0 227.242 2.529 10 30 BFEERN C#CCNc1c(C)cc(Cl)nc1Cl ZINC000235817651 345924387 /nfs/dbraw/zinc/92/43/87/345924387.db2.gz DDHMXFXPMPSREQ-UHFFFAOYSA-N 0 0 215.083 2.742 10 30 BFEERN C=CCCC[C@H](C)NC(=O)[C@H](CCC)[NH+](C)C ZINC000182618087 345934745 /nfs/dbraw/zinc/93/47/45/345934745.db2.gz DJSKTTMEUZURLJ-STQMWFEESA-N 0 0 240.391 2.578 10 30 BFEERN C=C(C)[C@H]1CC2=C(O1)C(=O)c1ccccc1C2=O ZINC000001620487 290767355 /nfs/dbraw/zinc/76/73/55/290767355.db2.gz ZDMOREUAQLXRCQ-GFCCVEGCSA-N 0 0 240.258 2.685 10 30 biogenic,in-vitro BFEERN CC(=N\OC(C)C)/C(Cl)=N/OC(C)C ZINC000148821851 346055790 /nfs/dbraw/zinc/05/57/90/346055790.db2.gz WHFRIIXUIFFYFI-OJOCYUAFSA-N 0 0 220.700 2.765 10 30 BFEERN C=C[C@@](C)(OCC)[C@](C)(O)CCCC ZINC000005310185 187363954 /nfs/dbraw/zinc/36/39/54/187363954.db2.gz XOBKUCHMISOQSI-VXGBXAGGSA-N 0 0 200.322 2.909 10 30 BFEERN Cc1cc(C#N)cc(NCc2ccc(Cl)o2)n1 ZINC000587010154 346169914 /nfs/dbraw/zinc/16/99/14/346169914.db2.gz FMWGUPJIFZVXGK-UHFFFAOYSA-N 0 0 247.685 2.542 10 30 BFEERN Cc1coc(S[C@@H]2CCC[C@H]2C#N)n1 ZINC000235941181 346173647 /nfs/dbraw/zinc/17/36/47/346173647.db2.gz AYYSBPUIXSOJKZ-DTWKUNHWSA-N 0 0 208.286 2.767 10 30 BFEERN CC(C)(C)c1ccc([C@@H](O)C[C@H]2CO2)cc1 ZINC000147803106 537954764 /nfs/dbraw/zinc/95/47/64/537954764.db2.gz KGZBRTARSCGMCI-STQMWFEESA-N 0 0 220.312 2.806 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1SC1CCOCC1 ZINC000062054413 346194493 /nfs/dbraw/zinc/19/44/93/346194493.db2.gz DROUOMSPJFYVGL-ONGXEEELSA-N 0 0 211.330 2.591 10 30 BFEERN N#C[C@H]1CCC[C@H]1SC1CCOCC1 ZINC000062054410 346194616 /nfs/dbraw/zinc/19/46/16/346194616.db2.gz DROUOMSPJFYVGL-MWLCHTKSSA-N 0 0 211.330 2.591 10 30 BFEERN C=CC(=O)c1cnc(C(F)(F)F)s1 ZINC000236132531 346197413 /nfs/dbraw/zinc/19/74/13/346197413.db2.gz HMMOECYSBZRPRE-UHFFFAOYSA-N 0 0 207.176 2.531 10 30 BFEERN N#Cc1sc(NC2CCCC2)cc1N ZINC000236355280 346229006 /nfs/dbraw/zinc/22/90/06/346229006.db2.gz JRQUJUSYJHNPLX-UHFFFAOYSA-N 0 0 207.302 2.556 10 30 BFEERN COc1ccccc1C#Cc1ccncc1C ZINC000039110595 187318102 /nfs/dbraw/zinc/31/81/02/187318102.db2.gz PHLUEQRMDWIXQM-UHFFFAOYSA-N 0 0 223.275 2.798 10 30 BFEERN O=C(C1=CCCCCCC1)[C@H](O)C1CC1 ZINC000236524803 346246814 /nfs/dbraw/zinc/24/68/14/346246814.db2.gz IWIWZWZFHCFOFU-CYBMUJFWSA-N 0 0 208.301 2.607 10 30 BFEERN CSc1ccc(C#CC(C)(C)O)cc1 ZINC000034332825 346247278 /nfs/dbraw/zinc/24/72/78/346247278.db2.gz IFKSCJVXNSJMER-UHFFFAOYSA-N 0 0 206.310 2.531 10 30 BFEERN C=CCCc1cc(OC)c(OC)c(OC)c1 ZINC000034482538 346295792 /nfs/dbraw/zinc/29/57/92/346295792.db2.gz IQZXTBSYMUFYEX-UHFFFAOYSA-N 0 0 222.284 2.831 10 30 BFEERN O=CCSCCCOCCc1ccccc1 ZINC000166261929 346669558 /nfs/dbraw/zinc/66/95/58/346669558.db2.gz RRWCSRBZVOSNOX-UHFFFAOYSA-N 0 0 238.352 2.568 10 30 BFEERN CCCC(=O)Nc1cc(Cl)ccc1C#N ZINC000070236654 168563182 /nfs/dbraw/zinc/56/31/82/168563182.db2.gz LOPWNUZJDUOXGO-UHFFFAOYSA-N 0 0 222.675 2.950 10 30 BFEERN C=C[C@H](C)OC/C(=N/O)c1ccccc1F ZINC000169277018 346758565 /nfs/dbraw/zinc/75/85/65/346758565.db2.gz XNGMLIHHABXLLQ-GCOCVTSNSA-N 0 0 223.247 2.595 10 30 BFEERN C=CC(=O)c1ccc(Br)c(F)c1 ZINC000168986984 346750315 /nfs/dbraw/zinc/75/03/15/346750315.db2.gz HCHDYATUHJCSCG-UHFFFAOYSA-N 0 0 229.048 2.957 10 30 BFEERN CC(=O)n1c(Cl)c(C#N)c2ccccc21 ZINC000116408042 347117709 /nfs/dbraw/zinc/11/77/09/347117709.db2.gz FSJZOJIUQSBDQN-UHFFFAOYSA-N 0 0 218.643 2.826 10 30 BFEERN C=CCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000183455162 347127164 /nfs/dbraw/zinc/12/71/64/347127164.db2.gz YBWAAGXWPPZBKI-QWRGUYRKSA-N 0 0 209.333 2.751 10 30 BFEERN Cc1ccc([C@@H]2CCCCN2C(=O)CC#N)o1 ZINC000187053744 347248316 /nfs/dbraw/zinc/24/83/16/347248316.db2.gz NFDHIYIGSZYQIJ-NSHDSACASA-N 0 0 232.283 2.555 10 30 BFEERN Cc1ccc([C@H]2CCCCN2C(=O)CC#N)o1 ZINC000187053766 347248622 /nfs/dbraw/zinc/24/86/22/347248622.db2.gz NFDHIYIGSZYQIJ-LLVKDONJSA-N 0 0 232.283 2.555 10 30 BFEERN C[C@@H]1Cc2c(c(Br)ccc2C#N)O1 ZINC000616567679 347435686 /nfs/dbraw/zinc/43/56/86/347435686.db2.gz OGXKIYSJXLYBEH-ZCFIWIBFSA-N 0 0 238.084 2.644 10 30 BFEERN N#CCCNc1ccc(Br)cc1F ZINC000036723436 347446456 /nfs/dbraw/zinc/44/64/56/347446456.db2.gz PUXROHNNPDVGKR-UHFFFAOYSA-N 0 0 243.079 2.914 10 30 BFEERN C=C1[C@H](O)CC[C@]2(C)CC[C@@H](C(C)(C)O)C[C@@H]12 ZINC000015208543 347582727 /nfs/dbraw/zinc/58/27/27/347582727.db2.gz LEEZDPXWPYCRRM-COMQUAJESA-N 0 0 238.371 2.891 10 30 biogenic,in-vitro BFEERN Cc1ccc(N)c(C#C[Si](C)(C)C)c1 ZINC000195938174 347717955 /nfs/dbraw/zinc/71/79/55/347717955.db2.gz KMINEAYCTIXWJE-UHFFFAOYSA-N 0 0 203.361 2.806 10 30 BFEERN Cc1ccccc1N(C)CC[C@@H](C#N)NC(C)C ZINC000062438458 179295163 /nfs/dbraw/zinc/29/51/63/179295163.db2.gz BKHGQQLLBGECLJ-AWEZNQCLSA-N 0 0 245.370 2.712 10 30 BFEERN C[Si](C)(C)C#Cc1cc(N)ccc1F ZINC000196163113 347815566 /nfs/dbraw/zinc/81/55/66/347815566.db2.gz UACQHSQWXWUFLT-UHFFFAOYSA-N 0 0 207.324 2.637 10 30 BFEERN C[Si](C)(C)C#Cc1ccc2n[nH]cc2c1 ZINC000202033168 347956304 /nfs/dbraw/zinc/95/63/04/347956304.db2.gz QCMDQKWSCIJMCK-UHFFFAOYSA-N 0 0 214.344 2.792 10 30 BFEERN CC[C@@H](C#N)C(=O)c1ccc(C)c(F)c1 ZINC000036915910 347963778 /nfs/dbraw/zinc/96/37/78/347963778.db2.gz ZOXCVWUZTTWOLR-VIFPVBQESA-N 0 0 205.232 2.867 10 30 BFEERN C[C@H](C#N)C(=O)c1ccc(Br)cc1 ZINC000036935054 347963794 /nfs/dbraw/zinc/96/37/94/347963794.db2.gz UUJYMMCEBGPRLY-SSDOTTSWSA-N 0 0 238.084 2.791 10 30 BFEERN CCN(CC)c1oc(C(C)C)nc1C#N ZINC000616570283 348014904 /nfs/dbraw/zinc/01/49/04/348014904.db2.gz GTHIBTRBRREACA-UHFFFAOYSA-N 0 0 207.277 2.516 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1Sc1nncs1 ZINC000037155675 348025600 /nfs/dbraw/zinc/02/56/00/348025600.db2.gz JVIHCEFAOYRIOU-SFYZADRCSA-N 0 0 225.342 2.713 10 30 BFEERN C#CCN[C@H](C)c1sccc1Br ZINC000037184940 348054815 /nfs/dbraw/zinc/05/48/15/348054815.db2.gz GTFJZHOCRLWUEW-SSDOTTSWSA-N 0 0 244.157 2.794 10 30 BFEERN N#CCSc1ccc(Br)cc1N ZINC000037205801 348197497 /nfs/dbraw/zinc/19/74/97/348197497.db2.gz AREHDFDOVFSSEE-UHFFFAOYSA-N 0 0 243.129 2.647 10 30 BFEERN N#C[C@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC000595688539 348314224 /nfs/dbraw/zinc/31/42/24/348314224.db2.gz FUOHIMBMZXSLGN-ZWNOBZJWSA-N 0 0 249.745 2.907 10 30 BFEERN Cc1ccnc(SCc2cccc(C#N)c2)n1 ZINC000051331567 179464716 /nfs/dbraw/zinc/46/47/16/179464716.db2.gz QILNZZHZRWHIGG-UHFFFAOYSA-N 0 0 241.319 2.949 10 30 BFEERN Cc1ccc(C#Cc2cccc(N)c2)cc1 ZINC000037470996 348612325 /nfs/dbraw/zinc/61/23/25/348612325.db2.gz HTVWGZXFRJJGDL-UHFFFAOYSA-N 0 0 207.276 2.977 10 30 BFEERN N#Cc1ccc(Cl)c(N2CCCCCC2)n1 ZINC000669383591 538013473 /nfs/dbraw/zinc/01/34/73/538013473.db2.gz VELPICGROQFDSM-UHFFFAOYSA-N 0 0 235.718 2.987 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1cncc(Cl)c1 ZINC000598615810 349000562 /nfs/dbraw/zinc/00/05/62/349000562.db2.gz GDZGTCRPRFOPHW-PWSUYJOCSA-N 0 0 235.718 2.517 10 30 BFEERN CCN(CC)c1oc(C2CCC2)nc1C#N ZINC000616573859 349073524 /nfs/dbraw/zinc/07/35/24/349073524.db2.gz LSAWLFWSLGWRNF-UHFFFAOYSA-N 0 0 219.288 2.660 10 30 BFEERN C[C@@]1(c2ccc(C(F)(F)F)cc2)CO1 ZINC000055032488 349083555 /nfs/dbraw/zinc/08/35/55/349083555.db2.gz NDMMVAQVPQYQDY-VIFPVBQESA-N 0 0 202.175 2.951 10 30 BFEERN C[C@@H](C=O)Sc1nc2ccccc2o1 ZINC000616572800 349063705 /nfs/dbraw/zinc/06/37/05/349063705.db2.gz OSKTVLAXBIDUHK-ZETCQYMHSA-N 0 0 207.254 2.507 10 30 BFEERN CC(C)(C)CC[C@@H](C=O)NC(=O)OC(C)(C)C ZINC000299805581 538030528 /nfs/dbraw/zinc/03/05/28/538030528.db2.gz VWUGDJHCFAEDMX-JTQLQIEISA-N 0 0 243.347 2.905 10 30 BFEERN FC(F)(F)[C@H]1CCc2onc(CS)c2C1 ZINC000725252992 538034622 /nfs/dbraw/zinc/03/46/22/538034622.db2.gz RTZOLNCGCVLRBA-YFKPBYRVSA-N 0 0 237.246 2.772 10 30 BFEERN SCc1cc(-c2cnn(C3CCC3)c2)on1 ZINC000725252153 538033590 /nfs/dbraw/zinc/03/35/90/538033590.db2.gz GHIDDRJQFVCEFY-UHFFFAOYSA-N 0 0 235.312 2.693 10 30 BFEERN CC(=O)OCc1ccccc1CCCC#N ZINC000059902167 349256139 /nfs/dbraw/zinc/25/61/39/349256139.db2.gz IJCUPHYAZGNTSB-UHFFFAOYSA-N 0 0 217.268 2.596 10 30 BFEERN Cc1ccncc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000185868480 349375215 /nfs/dbraw/zinc/37/52/15/349375215.db2.gz SAAFSLSWEBDPTJ-NWDGAFQWSA-N 0 0 215.300 2.884 10 30 BFEERN C=CCSc1nc(C)cc(COC)c1C#N ZINC000003171555 191001611 /nfs/dbraw/zinc/00/16/11/191001611.db2.gz SAAJBVPWJMGJOU-UHFFFAOYSA-N 0 0 234.324 2.686 10 30 BFEERN N#Cc1cccc(C[C@H]2CCCSC2=O)c1 ZINC000021994904 350061960 /nfs/dbraw/zinc/06/19/60/350061960.db2.gz NWRMDGCPYZVCJT-GFCCVEGCSA-N 0 0 231.320 2.771 10 30 BFEERN N#C[C@]1(c2ccccc2)CCCC2(C1)OCCO2 ZINC000039209130 350113636 /nfs/dbraw/zinc/11/36/36/350113636.db2.gz WLHXKOWPIVULJU-AWEZNQCLSA-N 0 0 243.306 2.765 10 30 BFEERN C=CC[C@@H](O)[C@H](C)OCc1ccccc1 ZINC000039416192 350116111 /nfs/dbraw/zinc/11/61/11/350116111.db2.gz WHJDLQGVVYDCOC-WCQYABFASA-N 0 0 206.285 2.529 10 30 BFEERN O=C(/C=C/Br)c1ccccc1 ZINC000059288493 350116993 /nfs/dbraw/zinc/11/69/93/350116993.db2.gz AOLSGJWZHCPMNX-VOTSOKGWSA-N 0 0 211.058 2.778 10 30 BFEERN N#C[C@@H](c1ccccc1)c1ncccc1[N+](=O)[O-] ZINC000034082546 350171293 /nfs/dbraw/zinc/17/12/93/350171293.db2.gz XITXIVLRHHJDDG-NSHDSACASA-N 0 0 239.234 2.645 10 30 BFEERN C=CC[C@@H](O)CC1SCCCS1 ZINC000221271967 350204269 /nfs/dbraw/zinc/20/42/69/350204269.db2.gz QJHUSPIHUKRXEV-MRVPVSSYSA-N 0 0 204.360 2.510 10 30 BFEERN CC(C)c1nsc(N[C@H]2CCC[C@@H]2C#N)n1 ZINC000309309563 350274236 /nfs/dbraw/zinc/27/42/36/350274236.db2.gz BORHRKNQFOMHII-BDAKNGLRSA-N 0 0 236.344 2.766 10 30 BFEERN CCC[C@](C)(C#N)NCc1ccccc1 ZINC000037939452 350293101 /nfs/dbraw/zinc/29/31/01/350293101.db2.gz IYRCDFOUBMFSSY-CYBMUJFWSA-N 0 0 202.301 2.859 10 30 BFEERN CC[C@@](C)(C#N)NC(=O)[C@@H]1CCCCC1(F)F ZINC000327942164 350364525 /nfs/dbraw/zinc/36/45/25/350364525.db2.gz XLGDLVXTULMTAY-ONGXEEELSA-N 0 0 244.285 2.620 10 30 BFEERN Cc1nn(C)c(OC[C@H]2CC=CC[C@H]2C)c1C#N ZINC000104319228 180360147 /nfs/dbraw/zinc/36/01/47/180360147.db2.gz NNABCDGLRCDFED-ZYHUDNBSSA-N 0 0 245.326 2.581 10 30 BFEERN Cc1nn(C)c(N(C)c2ccc(F)cc2)c1C#N ZINC000104323850 180353918 /nfs/dbraw/zinc/35/39/18/180353918.db2.gz QQAAKTULRUKUPQ-UHFFFAOYSA-N 0 0 244.273 2.507 10 30 BFEERN C=C(C)C(=O)[C@@H]1SCCS[C@@H]1CC ZINC000228083671 350527753 /nfs/dbraw/zinc/52/77/53/350527753.db2.gz OFQCUWQGNDOHCW-PSASIEDQSA-N 0 0 216.371 2.759 10 30 BFEERN O=CCCSc1nc2ccccc2o1 ZINC000062546787 350544420 /nfs/dbraw/zinc/54/44/20/350544420.db2.gz NMJRQDAECQLMKO-UHFFFAOYSA-N 0 0 207.254 2.509 10 30 BFEERN N#Cc1c(N)cc(Cl)cc1C(F)(F)F ZINC000306670759 350816690 /nfs/dbraw/zinc/81/66/90/350816690.db2.gz DQGIIMINFCROLE-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN CCOC(=O)N1CCC[C@H]1c1ccc(C#N)cc1 ZINC000616607637 350801838 /nfs/dbraw/zinc/80/18/38/350801838.db2.gz WGKQWSYBHJQUSD-ZDUSSCGKSA-N 0 0 244.294 2.852 10 30 BFEERN N#CCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000063046482 350813727 /nfs/dbraw/zinc/81/37/27/350813727.db2.gz MCUZIVAKGINWKS-UHFFFAOYSA-N 0 0 230.145 2.680 10 30 BFEERN N#C[C@]1(NCc2ccccc2)CCC[C@H]2C[C@H]21 ZINC000306681543 350838146 /nfs/dbraw/zinc/83/81/46/350838146.db2.gz OFUJCFQKBUMARD-RRFJBIMHSA-N 0 0 226.323 2.859 10 30 BFEERN COC(=O)N1CCC[C@H](c2ccccc2C#N)C1 ZINC000616617230 350863239 /nfs/dbraw/zinc/86/32/39/350863239.db2.gz KBUSQDMKIQBWFG-LBPRGKRZSA-N 0 0 244.294 2.504 10 30 BFEERN COC(=O)N1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000616617315 350864435 /nfs/dbraw/zinc/86/44/35/350864435.db2.gz NWYFYYOUSJASSE-ZDUSSCGKSA-N 0 0 244.294 2.504 10 30 BFEERN Cc1ccccc1[C@@H]1CC[C@@](C)(C=O)O1 ZINC000306732301 350902337 /nfs/dbraw/zinc/90/23/37/350902337.db2.gz RRMXJJUOMGNHTJ-STQMWFEESA-N 0 0 204.269 2.804 10 30 BFEERN Cc1ccccc1[C@H]1CC[C@](C)(C=O)O1 ZINC000306732295 350902690 /nfs/dbraw/zinc/90/26/90/350902690.db2.gz RRMXJJUOMGNHTJ-CHWSQXEVSA-N 0 0 204.269 2.804 10 30 BFEERN N#CCc1ccc(C(F)F)c(F)c1F ZINC000306711284 350872779 /nfs/dbraw/zinc/87/27/79/350872779.db2.gz XJFZJEKGWDIYSK-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN C[C@@H]1CCC[C@H]([C@H]2CCC[C@H](C=O)O2)C1 ZINC000306720654 350879857 /nfs/dbraw/zinc/87/98/57/350879857.db2.gz CYJJQVPTAHAENY-YVECIDJPSA-N 0 0 210.317 2.949 10 30 BFEERN COc1ccsc1CN[C@H]1CCC[C@@H]1C#N ZINC000336691708 350992184 /nfs/dbraw/zinc/99/21/84/350992184.db2.gz KSPRRYQUWSOQPQ-ZJUUUORDSA-N 0 0 236.340 2.539 10 30 BFEERN C#CCCOc1cccc(Cl)c1C#N ZINC000128972259 350949480 /nfs/dbraw/zinc/94/94/80/350949480.db2.gz ASPWKUOQGLCDII-UHFFFAOYSA-N 0 0 205.644 2.614 10 30 BFEERN C[C@H](C#N)[C@H](O)c1sccc1Cl ZINC000306775678 351016855 /nfs/dbraw/zinc/01/68/55/351016855.db2.gz XEEOCXBNBLLRMS-VDTYLAMSSA-N 0 0 201.678 2.595 10 30 BFEERN C=CCO[C@H](C)CNC(=O)OCc1ccccc1 ZINC000306820367 351087039 /nfs/dbraw/zinc/08/70/39/351087039.db2.gz JAAJTSMSNPKBAS-GFCCVEGCSA-N 0 0 249.310 2.504 10 30 BFEERN N#Cc1cccc([C@@H]2CCCCCN2C(N)=O)c1 ZINC000616624587 351092261 /nfs/dbraw/zinc/09/22/61/351092261.db2.gz TVCLQMXUFXDHSY-ZDUSSCGKSA-N 0 0 243.310 2.554 10 30 BFEERN Cc1sc2[nH]c([C@@H](C)S)nc(=O)c2c1C ZINC000019415506 180559191 /nfs/dbraw/zinc/55/91/91/180559191.db2.gz BBNSCXWBZAWBMH-RXMQYKEDSA-N 0 0 240.353 2.592 10 30 BFEERN CC(C)(C)N1CCO[C@H](c2ccccc2C#N)C1 ZINC000616649498 351178733 /nfs/dbraw/zinc/17/87/33/351178733.db2.gz VRADRPWPXPNGTM-AWEZNQCLSA-N 0 0 244.338 2.730 10 30 BFEERN Clc1ccc(N=NCc2cccs2)nn1 ZINC000004976623 180581886 /nfs/dbraw/zinc/58/18/86/180581886.db2.gz MKWRCDZPGOWOMA-IZZDOVSWSA-N 0 0 238.703 2.638 10 30 BFEERN C=C(Br)CNc1c(C)cccc1N ZINC000168195375 351336309 /nfs/dbraw/zinc/33/63/09/351336309.db2.gz JCICCYJXGUCYLA-UHFFFAOYSA-N 0 0 241.132 2.898 10 30 BFEERN C=C[C@H](NN)c1ccc2sccc2c1 ZINC000306878853 351272130 /nfs/dbraw/zinc/27/21/30/351272130.db2.gz IXKXTTWOSFVYCD-JTQLQIEISA-N 0 0 204.298 2.592 10 30 BFEERN O=C(c1ccc(Br)o1)C1=CCCO1 ZINC000168360127 351388472 /nfs/dbraw/zinc/38/84/72/351388472.db2.gz IDSLFEYYASDVQC-UHFFFAOYSA-N 0 0 243.056 2.529 10 30 BFEERN O=CCCc1ccsc1Br ZINC000307011443 351419459 /nfs/dbraw/zinc/41/94/59/351419459.db2.gz JZHZDJSSZKKZCD-UHFFFAOYSA-N 0 0 219.103 2.642 10 30 BFEERN C[C@@H](C#N)NCc1ccsc1Br ZINC000307012692 351420185 /nfs/dbraw/zinc/42/01/85/351420185.db2.gz LGEQTJKZBFADKW-LURJTMIESA-N 0 0 245.145 2.512 10 30 BFEERN COC(=O)c1cc(Cl)c(C#N)cc1Cl ZINC000307022023 351426339 /nfs/dbraw/zinc/42/63/39/351426339.db2.gz BYZTWAZVPSHLNX-UHFFFAOYSA-N 0 0 230.050 2.652 10 30 BFEERN Cc1ccc([C@H]2CC[C@H](C=O)O2)cc1C ZINC000307163862 351529715 /nfs/dbraw/zinc/52/97/15/351529715.db2.gz MDKDGAYLMXAXJK-CHWSQXEVSA-N 0 0 204.269 2.722 10 30 BFEERN Cc1ccc([C@@H]2CC[C@H](C=O)O2)cc1C ZINC000307163865 351529720 /nfs/dbraw/zinc/52/97/20/351529720.db2.gz MDKDGAYLMXAXJK-OLZOCXBDSA-N 0 0 204.269 2.722 10 30 BFEERN O=C[C@]1(Cc2cccc(F)c2)CCCS1 ZINC000307189878 351589818 /nfs/dbraw/zinc/58/98/18/351589818.db2.gz VREXWTFOVYPJKT-GFCCVEGCSA-N 0 0 224.300 2.833 10 30 BFEERN C#Cc1ccc(Oc2cccnc2C)nc1 ZINC000606302104 351553584 /nfs/dbraw/zinc/55/35/84/351553584.db2.gz BTQXJXLNPPDMBC-UHFFFAOYSA-N 0 0 210.236 2.559 10 30 BFEERN C#Cc1ccc(OCC2CCCC2)nc1 ZINC000606302518 351555566 /nfs/dbraw/zinc/55/55/66/351555566.db2.gz OEUXDLOPCVFIHS-UHFFFAOYSA-N 0 0 201.269 2.632 10 30 BFEERN C#Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000606302170 351555835 /nfs/dbraw/zinc/55/58/35/351555835.db2.gz FTLRQBPZFZJGQP-UHFFFAOYSA-N 0 0 213.211 2.994 10 30 BFEERN C#Cc1ccc(Oc2cccc(F)c2)nc1 ZINC000606302194 351556831 /nfs/dbraw/zinc/55/68/31/351556831.db2.gz HOUIZGXIMCTSTO-UHFFFAOYSA-N 0 0 213.211 2.994 10 30 BFEERN N#Cc1c(N)c(Cl)ccc1C(F)(F)F ZINC000307275094 351828878 /nfs/dbraw/zinc/82/88/78/351828878.db2.gz QCHPYLHQIRLKHL-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN N#CCNc1c(F)cccc1Br ZINC000232125575 351835244 /nfs/dbraw/zinc/83/52/44/351835244.db2.gz AUJOZZXKWYXZKG-UHFFFAOYSA-N 0 0 229.052 2.524 10 30 BFEERN CCOc1ccccc1C1=CC(=O)C[C@](C)(O)C1 ZINC000040174892 351929960 /nfs/dbraw/zinc/92/99/60/351929960.db2.gz NCBAYKPJZXHEEF-OAHLLOKOSA-N 0 0 246.306 2.583 10 30 BFEERN Cc1cc([N+](=O)[O-])cc(Cl)c1CC#N ZINC000307307230 351931778 /nfs/dbraw/zinc/93/17/78/351931778.db2.gz LPXGXDKAIWQGBI-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN CC(C)N(CCC#N)c1ccc([C@@H](C)O)cc1 ZINC000042529605 187603459 /nfs/dbraw/zinc/60/34/59/187603459.db2.gz RICVTMLGYQXEON-GFCCVEGCSA-N 0 0 232.327 2.868 10 30 BFEERN N#CCSc1ccnc2c(F)cccc12 ZINC000040175296 352153145 /nfs/dbraw/zinc/15/31/45/352153145.db2.gz USMXUZVGDMGVTD-UHFFFAOYSA-N 0 0 218.256 2.990 10 30 BFEERN N#CCc1cc(F)c(OC(F)F)cc1F ZINC000396125341 352387580 /nfs/dbraw/zinc/38/75/80/352387580.db2.gz KMBYYEQHCXSUOG-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN CCCCCCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232945057 168669758 /nfs/dbraw/zinc/66/97/58/168669758.db2.gz IDZGQLHFSACTMX-UHFFFAOYSA-N 0 0 248.286 2.854 10 30 BFEERN C[C@@H](C=O)Cc1c(F)cccc1Cl ZINC000307383563 352510273 /nfs/dbraw/zinc/51/02/73/352510273.db2.gz DXHZOROXVUPRCP-SSDOTTSWSA-N 0 0 200.640 2.857 10 30 BFEERN C[C@@H]1CCCC[C@]1(C=O)C[C@H]1CCOC1 ZINC000307466836 352616263 /nfs/dbraw/zinc/61/62/63/352616263.db2.gz OKBRYJFEXOIPMO-JHJVBQTASA-N 0 0 210.317 2.808 10 30 BFEERN C[C@@H](C#N)Nc1cc(F)ccc1Br ZINC000232247475 352576271 /nfs/dbraw/zinc/57/62/71/352576271.db2.gz DUARXUHRWBLHFO-LURJTMIESA-N 0 0 243.079 2.912 10 30 BFEERN Cc1ccc(F)c([C@@H]2CC[C@H](C=O)O2)c1 ZINC000307542829 352645167 /nfs/dbraw/zinc/64/51/67/352645167.db2.gz ARYMZSHEQHEBIV-SKDRFNHKSA-N 0 0 208.232 2.553 10 30 BFEERN C[C@]1(C(F)(F)F)CC[C@@](C)(CC#N)O1 ZINC000307553671 352648722 /nfs/dbraw/zinc/64/87/22/352648722.db2.gz LLYHCPOQAVAHBD-JGVFFNPUSA-N 0 0 207.195 2.790 10 30 BFEERN CN[C@@H](C#N)c1ccc(Br)cc1C ZINC000307567436 352652066 /nfs/dbraw/zinc/65/20/66/352652066.db2.gz QNAVHVBQTFPJIU-JTQLQIEISA-N 0 0 239.116 2.542 10 30 BFEERN C[C@H]1CCC[C@]1(C=O)Cc1ccccn1 ZINC000307569114 352657793 /nfs/dbraw/zinc/65/77/93/352657793.db2.gz VLOIBPBUXVLSIE-WCQYABFASA-N 0 0 203.285 2.629 10 30 BFEERN CC=CC(=O)c1ccoc1Br ZINC000232464311 352716983 /nfs/dbraw/zinc/71/69/83/352716983.db2.gz QNBWXPXZDSFKGS-UHFFFAOYSA-N 0 0 215.046 2.801 10 30 BFEERN C[C@@]1(c2ccsc2)CCC[C@@H](C=O)O1 ZINC000307648040 352737699 /nfs/dbraw/zinc/73/76/99/352737699.db2.gz FZYIEPOLROXRLZ-QWRGUYRKSA-N 0 0 210.298 2.731 10 30 BFEERN C[C@]1(c2ccsc2)CCC[C@H](C=O)O1 ZINC000307648035 352737829 /nfs/dbraw/zinc/73/78/29/352737829.db2.gz FZYIEPOLROXRLZ-GHMZBOCLSA-N 0 0 210.298 2.731 10 30 BFEERN N#CC1(CN2CCCC[C@@H]2c2nccs2)CC1 ZINC000334278882 352912484 /nfs/dbraw/zinc/91/24/84/352912484.db2.gz URGJOSNXQKLRDZ-LLVKDONJSA-N 0 0 247.367 2.974 10 30 BFEERN C=C(C(=O)c1ccc(C)nc1)C(F)(F)F ZINC000306723599 353036707 /nfs/dbraw/zinc/03/67/07/353036707.db2.gz HJKDRYKYEGIZDH-UHFFFAOYSA-N 0 0 215.174 2.691 10 30 BFEERN O=C1C=C(Cc2ccc(Br)o2)CC1 ZINC000306672969 353033475 /nfs/dbraw/zinc/03/34/75/353033475.db2.gz MNDVRINWJSNGKP-UHFFFAOYSA-N 0 0 241.084 2.874 10 30 BFEERN N#CC1(CCC(F)(F)F)CCOCC1 ZINC000306230629 352997964 /nfs/dbraw/zinc/99/79/64/352997964.db2.gz ZYNNHGVWDBKQGO-UHFFFAOYSA-N 0 0 207.195 2.649 10 30 BFEERN C=C(C)CC(=O)c1ccc(OC)c(OC)c1 ZINC000071522270 187940805 /nfs/dbraw/zinc/94/08/05/187940805.db2.gz RWXNPZZUCZTQQX-UHFFFAOYSA-N 0 0 220.268 2.853 10 30 BFEERN CC(C)N(CCC#N)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000042530383 187978308 /nfs/dbraw/zinc/97/83/08/187978308.db2.gz GWBWFKBFXCIICF-MJBXVCDLSA-N 0 0 248.370 2.963 10 30 BFEERN N#Cc1cc(F)ccc1-n1ccc(C2CC2)n1 ZINC000104249029 187978939 /nfs/dbraw/zinc/97/89/39/187978939.db2.gz HCHNJZJGNRCNOZ-UHFFFAOYSA-N 0 0 227.242 2.760 10 30 BFEERN C=CC[C@H](O)[C@H](C)OCc1ccccc1 ZINC000036467175 353113981 /nfs/dbraw/zinc/11/39/81/353113981.db2.gz WHJDLQGVVYDCOC-AAEUAGOBSA-N 0 0 206.285 2.529 10 30 BFEERN Cc1cscc1C(=O)C1=COCCC1 ZINC000160026144 353094457 /nfs/dbraw/zinc/09/44/57/353094457.db2.gz NEYFWDRRQWHYGK-UHFFFAOYSA-N 0 0 208.282 2.934 10 30 BFEERN N#CCc1cnc(-c2cccs2)s1 ZINC000082417732 188006925 /nfs/dbraw/zinc/00/69/25/188006925.db2.gz MCOSPYTXFLRPAX-UHFFFAOYSA-N 0 0 206.295 2.938 10 30 BFEERN CC(C)N(OC(=O)c1ccccc1)C(C)C ZINC000021995475 188008597 /nfs/dbraw/zinc/00/85/97/188008597.db2.gz HKKQKLNEEWYIRR-UHFFFAOYSA-N 0 0 221.300 2.877 10 30 BFEERN CC#C[C@@H]1NCCc2cccc(Cl)c21 ZINC000083661199 188010139 /nfs/dbraw/zinc/01/01/39/188010139.db2.gz CCISPJBZGGLRCV-NSHDSACASA-N 0 0 205.688 2.550 10 30 BFEERN CC#CCCNc1nc(C)nc(Cl)c1C ZINC000229330960 353124581 /nfs/dbraw/zinc/12/45/81/353124581.db2.gz MTHQBYGYTXNUFS-UHFFFAOYSA-N 0 0 223.707 2.572 10 30 BFEERN Cc1ccccc1[C@H]1CCC[C@@H](C=O)O1 ZINC000307750730 353126056 /nfs/dbraw/zinc/12/60/56/353126056.db2.gz KXRIAQQROLKYGW-WCQYABFASA-N 0 0 204.269 2.804 10 30 BFEERN CC(C)(C)C(=O)[C@@H](C#N)c1cccs1 ZINC000052902856 353131610 /nfs/dbraw/zinc/13/16/10/353131610.db2.gz ZZQNZTGUTMKBEC-QMMMGPOBSA-N 0 0 207.298 2.970 10 30 BFEERN C=C(CN(O)c1ccccn1)c1ccccc1 ZINC000073169086 188047174 /nfs/dbraw/zinc/04/71/74/188047174.db2.gz FJDAFESAWNYQEP-UHFFFAOYSA-N 0 0 226.279 2.991 10 30 BFEERN C#CC[C@H](O)c1ccc(OCC)c(OCC)c1 ZINC000075421086 188048935 /nfs/dbraw/zinc/04/89/35/188048935.db2.gz SHNNRHUMBZTUIP-LBPRGKRZSA-N 0 0 234.295 2.541 10 30 BFEERN CC[C@@H](C#N)C(=O)c1cc(C)ccc1F ZINC000052983502 353147857 /nfs/dbraw/zinc/14/78/57/353147857.db2.gz GWCQQCVVEODMGG-VIFPVBQESA-N 0 0 205.232 2.867 10 30 BFEERN FC(F)(F)c1ccc(SC[C@@H]2CO2)nc1 ZINC000019863851 180893444 /nfs/dbraw/zinc/89/34/44/180893444.db2.gz YHMADBVTPNTMTE-ZETCQYMHSA-N 0 0 235.230 2.591 10 30 BFEERN C#CCCCCNc1cc(C)nc(C)c1C#N ZINC000160821159 353273316 /nfs/dbraw/zinc/27/33/16/353273316.db2.gz DKPHIZRMZKDQEW-UHFFFAOYSA-N 0 0 227.311 2.786 10 30 BFEERN C#CCC[C@H]([NH3+])c1sccc1Br ZINC000127961849 353279189 /nfs/dbraw/zinc/27/91/89/353279189.db2.gz WUDHSCYQVLNHOA-QMMMGPOBSA-N 0 0 244.157 2.924 10 30 BFEERN C#CC[C@@H](O)c1ccc(Br)c(F)c1 ZINC000161542055 353286489 /nfs/dbraw/zinc/28/64/89/353286489.db2.gz BNHDAUPPPHGAFQ-SNVBAGLBSA-N 0 0 243.075 2.645 10 30 BFEERN C/C(=N\NC(=S)NCc1ccccc1)C(C)C ZINC000005020140 188276350 /nfs/dbraw/zinc/27/63/50/188276350.db2.gz BOMUBHLCAMNYGD-RVDMUPIBSA-N 0 0 249.383 2.683 10 30 BFEERN CC(C)(C)c1ccc(OCC[C@@H](N)C#N)cc1 ZINC000019666614 188281896 /nfs/dbraw/zinc/28/18/96/188281896.db2.gz ZYTMNLDHJHSVHI-GFCCVEGCSA-N 0 0 232.327 2.604 10 30 BFEERN CC(C)N(CC#N)C(=O)c1cccc(Cl)c1 ZINC000057528125 188301419 /nfs/dbraw/zinc/30/14/19/188301419.db2.gz IVSMXGJWPYCKDM-UHFFFAOYSA-N 0 0 236.702 2.714 10 30 BFEERN CC(C)N(CC#N)C(=O)c1ccccc1Cl ZINC000057528124 188301610 /nfs/dbraw/zinc/30/16/10/188301610.db2.gz MXJCFQFJTXUGSC-UHFFFAOYSA-N 0 0 236.702 2.714 10 30 BFEERN CC(C)C[C@@H](C#N)NCCc1cccs1 ZINC000057515290 188301691 /nfs/dbraw/zinc/30/16/91/188301691.db2.gz NUCFSDXQJRIPIY-NSHDSACASA-N 0 0 222.357 2.818 10 30 BFEERN CC(C)[C@H](C#N)C(=O)N[C@@H](C)c1ccsc1 ZINC000061366982 188302315 /nfs/dbraw/zinc/30/23/15/188302315.db2.gz VLHKSNXAELYPFP-ONGXEEELSA-N 0 0 236.340 2.721 10 30 BFEERN N#CC[C@@H]1CNc2c1cccc2Br ZINC000071487073 188305776 /nfs/dbraw/zinc/30/57/76/188305776.db2.gz VQFVIQCYDIPNLP-SSDOTTSWSA-N 0 0 237.100 2.872 10 30 BFEERN CC(C)(C)c1cc(OC2CC2)c(C#N)cn1 ZINC000095736309 188320649 /nfs/dbraw/zinc/32/06/49/188320649.db2.gz QTFMWUFBLANTJE-UHFFFAOYSA-N 0 0 216.284 2.792 10 30 BFEERN C=CCOc1ccc([C@H](C)O)cc1Cl ZINC000041226555 188322938 /nfs/dbraw/zinc/32/29/38/188322938.db2.gz MIFDNMNXMCSOEX-QMMMGPOBSA-N 0 0 212.676 2.958 10 30 BFEERN CN(C)c1ccc(C#N)c(Br)c1F ZINC000075927340 188308704 /nfs/dbraw/zinc/30/87/04/188308704.db2.gz XDZSRGUSLSEHLC-UHFFFAOYSA-N 0 0 243.079 2.526 10 30 BFEERN N#Cc1ccc(OC2CC2)cc1Br ZINC000095736154 188319922 /nfs/dbraw/zinc/31/99/22/188319922.db2.gz NVEATKQFNNRZEU-UHFFFAOYSA-N 0 0 238.084 2.862 10 30 BFEERN O=C1C=Cc2c3ccccc3ccc2C1=O ZINC000005949045 188337519 /nfs/dbraw/zinc/33/75/19/188337519.db2.gz SCOAVUHOIJMIBW-UHFFFAOYSA-N 0 0 208.216 2.618 10 30 BFEERN C#CCNC(=O)N[C@@H]1CC[C@H](C)c2ccccc21 ZINC000132842080 353389240 /nfs/dbraw/zinc/38/92/40/353389240.db2.gz QRAQZUHVCIZUHC-SMDDNHRTSA-N 0 0 242.322 2.557 10 30 BFEERN C=CC(O)(C=C)c1cc(Cl)ccc1O ZINC000039389947 188396796 /nfs/dbraw/zinc/39/67/96/188396796.db2.gz NNYZXPBWGPVAIT-UHFFFAOYSA-N 0 0 210.660 2.605 10 30 BFEERN Cc1ccc(C)c(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000061889064 353543113 /nfs/dbraw/zinc/54/31/13/353543113.db2.gz ZZGAWESCGLLUFH-OCCSQVGLSA-N 0 0 242.322 2.726 10 30 BFEERN Cc1cc(C)cc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000061889108 353543349 /nfs/dbraw/zinc/54/33/49/353543349.db2.gz QONFTDILMBGLFO-OCCSQVGLSA-N 0 0 242.322 2.726 10 30 BFEERN N#CCC(=O)c1cc(Br)ccc1F ZINC000019477888 181033851 /nfs/dbraw/zinc/03/38/51/181033851.db2.gz AWDLMQBTCYAQCQ-UHFFFAOYSA-N 0 0 242.047 2.685 10 30 BFEERN N#CCC(=O)c1c[nH]c2ccc(Cl)cc21 ZINC000070453483 181034421 /nfs/dbraw/zinc/03/44/21/181034421.db2.gz MSHYQZUEJFQRFJ-UHFFFAOYSA-N 0 0 218.643 2.918 10 30 BFEERN N#CCNc1cc(Cl)ccc1Cl ZINC000020038852 181043436 /nfs/dbraw/zinc/04/34/36/181043436.db2.gz MQJKVUIFAVUFIJ-UHFFFAOYSA-N 0 0 201.056 2.929 10 30 BFEERN N#CCc1nc2ccccc2n1-c1cccc(N)c1 ZINC000075973969 181049605 /nfs/dbraw/zinc/04/96/05/181049605.db2.gz UDYXIIKCRPFRLN-UHFFFAOYSA-N 0 0 248.289 2.674 10 30 BFEERN N#CCc1nc(CC(=O)c2ccccc2)cs1 ZINC000051965706 181049629 /nfs/dbraw/zinc/04/96/29/181049629.db2.gz RWSQRFDKAYIDEP-UHFFFAOYSA-N 0 0 242.303 2.635 10 30 BFEERN N#CCc1noc(CCC2CCCCC2)n1 ZINC000073641494 181050372 /nfs/dbraw/zinc/05/03/72/181050372.db2.gz GYUMFNMUOOHPPV-UHFFFAOYSA-N 0 0 219.288 2.649 10 30 BFEERN N#CCc1noc(-c2cc(Cl)ccc2F)n1 ZINC000073641433 181050931 /nfs/dbraw/zinc/05/09/31/181050931.db2.gz QVEGSGAICXRGPE-UHFFFAOYSA-N 0 0 237.621 2.595 10 30 BFEERN N#C[C@@H](Nc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000037936022 181057535 /nfs/dbraw/zinc/05/75/35/181057535.db2.gz JRCBSRFFNCQCLA-JOYOIKCWSA-N 0 0 236.702 2.681 10 30 BFEERN N#C[C@@H](Cc1ccccc1)N1CCCCCC1 ZINC000038086140 181055078 /nfs/dbraw/zinc/05/50/78/181055078.db2.gz UJORXXCHGIVEBM-OAHLLOKOSA-N 0 0 228.339 2.997 10 30 BFEERN N#C[C@@H](Nc1nccs1)c1ccccc1 ZINC000075625437 181057445 /nfs/dbraw/zinc/05/74/45/181057445.db2.gz SJNZAGHDZCULPK-SNVBAGLBSA-N 0 0 215.281 2.820 10 30 BFEERN N#CCc1ccc2cccc(Cl)c2n1 ZINC000062568933 181048937 /nfs/dbraw/zinc/04/89/37/181048937.db2.gz REKMHKAEGMMLPX-UHFFFAOYSA-N 0 0 202.644 2.954 10 30 BFEERN N#C[C@H](CO)Cc1cccc(Cl)c1Cl ZINC000074468355 181063621 /nfs/dbraw/zinc/06/36/21/181063621.db2.gz TYJLRQRITLEEOC-SSDOTTSWSA-N 0 0 230.094 2.668 10 30 BFEERN N#C[C@H](Cc1ccc(O)cc1)c1cccc(O)c1 ZINC000027422879 181063894 /nfs/dbraw/zinc/06/38/94/181063894.db2.gz ZWUPEBRBQHJWTA-ZDUSSCGKSA-N 0 0 239.274 2.948 10 30 BFEERN N#C[C@H](N)CCSc1nc2ccccc2s1 ZINC000062452692 181064342 /nfs/dbraw/zinc/06/43/42/181064342.db2.gz HELVSEGHZVNWIS-MRVPVSSYSA-N 0 0 249.364 2.629 10 30 BFEERN N#C[C@H](N)COc1ccc(-c2ccccc2)cc1 ZINC000019666000 181065131 /nfs/dbraw/zinc/06/51/31/181065131.db2.gz VLOFOWXJUAUJST-AWEZNQCLSA-N 0 0 238.290 2.583 10 30 BFEERN N#C[C@H](c1ccc(F)cc1)N1CCCCC1 ZINC000019934229 181066923 /nfs/dbraw/zinc/06/69/23/181066923.db2.gz LSGCTWYYXBJXOA-CYBMUJFWSA-N 0 0 218.275 2.876 10 30 BFEERN N#C[C@H](Nc1ccc(Cl)cc1)[C@H]1CCOC1 ZINC000037936021 181066057 /nfs/dbraw/zinc/06/60/57/181066057.db2.gz JRCBSRFFNCQCLA-CABZTGNLSA-N 0 0 236.702 2.681 10 30 BFEERN N#C[C@@H]1CCCN1C(=O)CCC1CCCCC1 ZINC000013522821 181059116 /nfs/dbraw/zinc/05/91/16/181059116.db2.gz AUBAZQFQVMJAAM-ZDUSSCGKSA-N 0 0 234.343 2.861 10 30 BFEERN N#Cc1c(N)scc1-c1ccc([N+](=O)[O-])cc1 ZINC000033501091 181071745 /nfs/dbraw/zinc/07/17/45/181071745.db2.gz KXUPJPPYTWTREF-UHFFFAOYSA-N 0 0 245.263 2.777 10 30 BFEERN N#Cc1c(F)ccc(OCc2ccccc2)c1N ZINC000095931180 181075401 /nfs/dbraw/zinc/07/54/01/181075401.db2.gz PQYPIEBECJUMRL-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#C[C@H]1CCCCC[C@@H]1NCc1cccnc1 ZINC000054824558 181067214 /nfs/dbraw/zinc/06/72/14/181067214.db2.gz ZFTZAFRXTUPIQI-KGLIPLIRSA-N 0 0 229.327 2.644 10 30 BFEERN N#C[C@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000033434413 181067271 /nfs/dbraw/zinc/06/72/71/181067271.db2.gz UMBRLBYLDFIRAU-LLVKDONJSA-N 0 0 236.274 2.716 10 30 BFEERN N#C[C@H]1CCC[C@H]1N(Cc1ccco1)C1CC1 ZINC000042692999 181069354 /nfs/dbraw/zinc/06/93/54/181069354.db2.gz FSXXAAISZIBNIU-BXUZGUMPSA-N 0 0 230.311 2.936 10 30 BFEERN N#C[C@H]1CCC[C@H]1Nc1ccc(F)cc1 ZINC000054823999 181069600 /nfs/dbraw/zinc/06/96/00/181069600.db2.gz VDROMUIJFUBKJK-BXKDBHETSA-N 0 0 204.248 2.930 10 30 BFEERN N#C[C@H]1CCC[C@H]1Sc1nnc2ccccn21 ZINC000061406590 181070021 /nfs/dbraw/zinc/07/00/21/181070021.db2.gz URAZXYVQKMZDGB-NXEZZACHSA-N 0 0 244.323 2.514 10 30 BFEERN N#Cc1c(N)sc2c1-c1ccccc1C2 ZINC000022214359 181078492 /nfs/dbraw/zinc/07/84/92/181078492.db2.gz WSMPWBHHTMWDCY-UHFFFAOYSA-N 0 0 212.277 2.773 10 30 BFEERN N#Cc1cc(F)ccc1Sc1cnccn1 ZINC000104345573 181088585 /nfs/dbraw/zinc/08/85/85/181088585.db2.gz ICKKIXJMLZAQML-UHFFFAOYSA-N 0 0 231.255 2.639 10 30 BFEERN N#Cc1cc(C(F)(F)F)c(OC2CC2)cn1 ZINC000095736502 181085063 /nfs/dbraw/zinc/08/50/63/181085063.db2.gz PLBURHOQNQLWQP-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN N#Cc1cc(F)ccc1Oc1cccnc1 ZINC000104364997 181088200 /nfs/dbraw/zinc/08/82/00/181088200.db2.gz ZMJGHHPRHHWIEJ-UHFFFAOYSA-N 0 0 214.199 2.885 10 30 BFEERN N#Cc1ccc(-c2cc(Cl)ccn2)nc1 ZINC000072204359 181094090 /nfs/dbraw/zinc/09/40/90/181094090.db2.gz XPGPWQFQFLISQY-UHFFFAOYSA-N 0 0 215.643 2.669 10 30 BFEERN N#Cc1ccc(-c2ccc(Cl)s2)nc1N ZINC000050871278 181095393 /nfs/dbraw/zinc/09/53/93/181095393.db2.gz SFSNIDVLTCFPER-UHFFFAOYSA-N 0 0 235.699 2.917 10 30 BFEERN N#Cc1ccc(-c2ccc(Br)o2)nc1 ZINC000090567517 181095434 /nfs/dbraw/zinc/09/54/34/181095434.db2.gz JMVGDWOYNIKXAQ-UHFFFAOYSA-N 0 0 249.067 2.976 10 30 BFEERN N#Cc1cc(N)ccc1NCCOC1CCCC1 ZINC000104448767 181088948 /nfs/dbraw/zinc/08/89/48/181088948.db2.gz XHOVSNMCFWCHBX-UHFFFAOYSA-N 0 0 245.326 2.512 10 30 BFEERN N#Cc1cc(O)cc(-c2cccc(C=O)c2)c1 ZINC000065341312 181091195 /nfs/dbraw/zinc/09/11/95/181091195.db2.gz GBJJNAHXBUITFL-UHFFFAOYSA-N 0 0 223.231 2.743 10 30 BFEERN N#Cc1cc(O)cc(-c2cccc(O)c2)c1 ZINC000065341292 181091318 /nfs/dbraw/zinc/09/13/18/181091318.db2.gz FHGUPCGDGGXBOM-UHFFFAOYSA-N 0 0 211.220 2.636 10 30 BFEERN N#Cc1cc(NCc2ccc[nH]2)ccc1F ZINC000051789773 181091877 /nfs/dbraw/zinc/09/18/77/181091877.db2.gz PULGRLHZSYBROE-UHFFFAOYSA-N 0 0 215.231 2.638 10 30 BFEERN CC[C@H]1OCCC[C@H]1C(=O)Nc1ncc(C)o1 ZINC000330302189 134001427 /nfs/dbraw/zinc/00/14/27/134001427.db2.gz JKDWJCXTGXDAOI-NXEZZACHSA-N 0 0 238.287 2.776 10 30 BFEERN CC#CCN1CC=C(c2cccs2)CC1 ZINC000121594644 358485396 /nfs/dbraw/zinc/48/53/96/358485396.db2.gz UEDCJDDELGSLHV-UHFFFAOYSA-N 0 0 217.337 2.861 10 30 BFEERN N#Cc1ccc(C#Cc2n[nH]c3ccccc23)cc1 ZINC000066251573 181097210 /nfs/dbraw/zinc/09/72/10/181097210.db2.gz CVGIMJXXSMYXAG-UHFFFAOYSA-N 0 0 243.269 2.834 10 30 BFEERN N#Cc1ccc(CN[C@@H]2CCCC[C@H]2C#N)cc1 ZINC000054825635 181109546 /nfs/dbraw/zinc/10/95/46/181109546.db2.gz LLCHSJSTEGGLAP-LSDHHAIUSA-N 0 0 239.322 2.730 10 30 BFEERN N#Cc1ccc(COCc2ccco2)cc1 ZINC000019488746 181110735 /nfs/dbraw/zinc/11/07/35/181110735.db2.gz ODOKSYUFKGILHZ-UHFFFAOYSA-N 0 0 213.236 2.868 10 30 BFEERN N#Cc1ccc(CN2CCc3ccc(N)cc32)cc1 ZINC000019875148 181105089 /nfs/dbraw/zinc/10/50/89/181105089.db2.gz NZLKGMOFFWSJOT-UHFFFAOYSA-N 0 0 249.317 2.703 10 30 BFEERN N#Cc1ccc(COCCc2ccccn2)cc1 ZINC000034958485 181110862 /nfs/dbraw/zinc/11/08/62/181110862.db2.gz WAAZQDRGYUAGSU-UHFFFAOYSA-N 0 0 238.290 2.713 10 30 BFEERN N#Cc1ccc(NCCn2ccnc2)c(Cl)c1 ZINC000062791041 181122602 /nfs/dbraw/zinc/12/26/02/181122602.db2.gz IADAFEXDAYXRKH-UHFFFAOYSA-N 0 0 246.701 2.520 10 30 BFEERN N#Cc1ccc(F)c(COC[C@@H]2CCCCO2)c1 ZINC000019518315 181112589 /nfs/dbraw/zinc/11/25/89/181112589.db2.gz LLMMMWDZKGTOPH-ZDUSSCGKSA-N 0 0 249.285 2.783 10 30 BFEERN N#Cc1ccc(F)c(COc2cccc(N)c2)c1 ZINC000019385473 181113307 /nfs/dbraw/zinc/11/33/07/181113307.db2.gz OTRGNXILJBFOIG-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#Cc1ccc(N2C[C@@H]3CCCCC[C@H]32)nc1 ZINC000374190181 181116787 /nfs/dbraw/zinc/11/67/87/181116787.db2.gz PFXGKLJJCXONAF-QWHCGFSZSA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1ccc(NC(=O)C(F)(F)F)c(Cl)c1 ZINC000236129563 181117190 /nfs/dbraw/zinc/11/71/90/181117190.db2.gz YEOHZSGKJBCCHH-UHFFFAOYSA-N 0 0 248.591 2.712 10 30 BFEERN N#Cc1ccc(NC(=S)c2ccccn2)cc1 ZINC000000011406 181119441 /nfs/dbraw/zinc/11/94/41/181119441.db2.gz RCIIJJKLVBXNFE-UHFFFAOYSA-N 0 0 239.303 2.741 10 30 BFEERN N#Cc1ccc(NCc2ccncn2)cc1Cl ZINC000054788921 181125012 /nfs/dbraw/zinc/12/50/12/181125012.db2.gz ZAJPZNPYDTYPGJ-UHFFFAOYSA-N 0 0 244.685 2.614 10 30 BFEERN N#Cc1ccc(OCc2c(N)cccc2F)cc1 ZINC000104069223 181128512 /nfs/dbraw/zinc/12/85/12/181128512.db2.gz PJKJXRJRPBKEOQ-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#Cc1ccc([C@H]2CCc3cncn32)c(Cl)c1 ZINC000103231333 181130249 /nfs/dbraw/zinc/13/02/49/181130249.db2.gz ANDDLZUJSXKNMN-CYBMUJFWSA-N 0 0 243.697 2.944 10 30 BFEERN N#Cc1ccc([C@@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000098178838 181130589 /nfs/dbraw/zinc/13/05/89/181130589.db2.gz NKKIXDDJZBFHJA-JKSUJKDBSA-N 0 0 235.286 2.607 10 30 BFEERN N#Cc1cccc(NC[C@H](O)c2cccs2)c1 ZINC000037879147 181141623 /nfs/dbraw/zinc/14/16/23/181141623.db2.gz ZMGUPAZDLCHJEK-LBPRGKRZSA-N 0 0 244.319 2.765 10 30 BFEERN N#Cc1cccc(Nc2ncc(Cl)cc2N)c1 ZINC000036242683 181142855 /nfs/dbraw/zinc/14/28/55/181142855.db2.gz IJBIKULBUJVDLK-UHFFFAOYSA-N 0 0 244.685 2.932 10 30 BFEERN N#Cc1cccc(Oc2ccc(Cl)nn2)c1 ZINC000037977864 181142973 /nfs/dbraw/zinc/14/29/73/181142973.db2.gz IRPGPDJKSFKORD-UHFFFAOYSA-N 0 0 231.642 2.794 10 30 BFEERN N#Cc1ccccc1CN1CCCCCCC1=O ZINC000019426559 181146063 /nfs/dbraw/zinc/14/60/63/181146063.db2.gz JTGOYJMWPNPADY-UHFFFAOYSA-N 0 0 242.322 2.851 10 30 BFEERN N#Cc1ccccc1CSc1ccc(N)nc1 ZINC000037192028 181146868 /nfs/dbraw/zinc/14/68/68/181146868.db2.gz QPQBXRGQGCNLNW-UHFFFAOYSA-N 0 0 241.319 2.828 10 30 BFEERN N#Cc1ccccc1NC[C@@H]1CCC=CO1 ZINC000050267354 181147919 /nfs/dbraw/zinc/14/79/19/181147919.db2.gz DXELIJPIHADFKY-LBPRGKRZSA-N 0 0 214.268 2.663 10 30 BFEERN N#Cc1ccccc1NCc1cnn2ccccc12 ZINC000071372566 181149041 /nfs/dbraw/zinc/14/90/41/181149041.db2.gz NGZMDFSBBUBALS-UHFFFAOYSA-N 0 0 248.289 2.818 10 30 BFEERN N#Cc1ccccc1NCc1ccc(O)cc1O ZINC000019921476 181149293 /nfs/dbraw/zinc/14/92/93/181149293.db2.gz UXBNATJZOFGHPH-UHFFFAOYSA-N 0 0 240.262 2.582 10 30 BFEERN N#Cc1cccnc1NC[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000104090463 181153442 /nfs/dbraw/zinc/15/34/42/181153442.db2.gz AGQZEFBEBXADHU-DMDPSCGWSA-N 0 0 227.311 2.801 10 30 BFEERN N#Cc1csc(-c2n[nH]c3ccc(N)cc32)c1 ZINC000211555878 181165498 /nfs/dbraw/zinc/16/54/98/181165498.db2.gz BPZMDDFXTJKLAD-UHFFFAOYSA-N 0 0 240.291 2.745 10 30 BFEERN N#Cc1coc2c3ccccc3ccc2c1=O ZINC000036150126 181165613 /nfs/dbraw/zinc/16/56/13/181165613.db2.gz IDSOIALUFSOKRS-UHFFFAOYSA-N 0 0 221.215 2.818 10 30 BFEERN C[C@H]1CC(C)(C)C[N@@H+]1CC1(C#N)CCC1 ZINC000335193959 355026833 /nfs/dbraw/zinc/02/68/33/355026833.db2.gz XDTJDLLAIHYJRX-NSHDSACASA-N 0 0 206.333 2.801 10 30 BFEERN N#Cc1nc(-c2ccccc2F)cs1 ZINC000075847118 181166652 /nfs/dbraw/zinc/16/66/52/181166652.db2.gz RWAGYXXNSHWHNB-UHFFFAOYSA-N 0 0 204.229 2.821 10 30 BFEERN CN(C)N=Cc1c(Cl)cccc1Cl ZINC000308250624 355163614 /nfs/dbraw/zinc/16/36/14/355163614.db2.gz BDLFIKFWSSYXMB-UHFFFAOYSA-N 0 0 217.099 2.889 10 30 BFEERN N#Cc1nccnc1Nc1ccc(Cl)cc1 ZINC000054379093 181175228 /nfs/dbraw/zinc/17/52/28/181175228.db2.gz JOBKZDLWPBFPMK-UHFFFAOYSA-N 0 0 230.658 2.745 10 30 BFEERN N#Cc1oc2cccc(Br)c2c1N ZINC000095929656 181177422 /nfs/dbraw/zinc/17/74/22/181177422.db2.gz BTPFPMDVBUFFHO-UHFFFAOYSA-N 0 0 237.056 2.649 10 30 BFEERN N/C(=N\O)c1ccccc1COC1CCCCC1 ZINC000019505355 181181494 /nfs/dbraw/zinc/18/14/94/181181494.db2.gz MGIKHAPBTRDZAM-UHFFFAOYSA-N 0 0 248.326 2.630 10 30 BFEERN C[C@@H]1CCN(C(C)(C)C#N)CC12CCC2 ZINC000336138531 134096766 /nfs/dbraw/zinc/09/67/66/134096766.db2.gz YISPTVOZUBVRGT-LLVKDONJSA-N 0 0 206.333 2.801 10 30 BFEERN C=C(Br)CNc1cccc(N)c1C ZINC000168181851 356536073 /nfs/dbraw/zinc/53/60/73/356536073.db2.gz DBCKCUODRVWEIP-UHFFFAOYSA-N 0 0 241.132 2.898 10 30 BFEERN C[C@H](C#N)N1Cc2ccccc2OC(C)(C)C1 ZINC000336390294 134145840 /nfs/dbraw/zinc/14/58/40/134145840.db2.gz YIHBQSWUYFRKOY-LLVKDONJSA-N 0 0 230.311 2.572 10 30 BFEERN N#CC1([N-]C(=O)C(F)(F)F)CCCCCCC1 ZINC000040366566 356674821 /nfs/dbraw/zinc/67/48/21/356674821.db2.gz RTMSZSWDKGLPQZ-UHFFFAOYSA-N 0 0 248.248 2.672 10 30 BFEERN CC(C)(C)OC(=O)C#Cc1ccc(F)cc1 ZINC000675078371 538515472 /nfs/dbraw/zinc/51/54/72/538515472.db2.gz FHRTYNQFUPUWII-UHFFFAOYSA-N 0 0 220.243 2.519 10 30 BFEERN CC[C@@H](CC#N)NC(=O)C[C@@H](C)C(C)(C)C ZINC000108943376 134160407 /nfs/dbraw/zinc/16/04/07/134160407.db2.gz XNYKUVRUOGSWNK-MNOVXSKESA-N 0 0 224.348 2.867 10 30 BFEERN C#Cc1ccccc1NC(=O)NCCCC ZINC000675078873 538517867 /nfs/dbraw/zinc/51/78/67/538517867.db2.gz MLYSCSALFWPQQK-UHFFFAOYSA-N 0 0 216.284 2.590 10 30 BFEERN CCOC(=O)[C@H]1O[C@]12CCCC(C)(C)CC2 ZINC000084324462 538530984 /nfs/dbraw/zinc/53/09/84/538530984.db2.gz SQCPGUVKWXEYHH-MFKMUULPSA-N 0 0 226.316 2.677 10 30 BFEERN CCOC(=O)[C@@H]1O[C@]12CCC[C@H](CC)CC2 ZINC000084324571 538531159 /nfs/dbraw/zinc/53/11/59/538531159.db2.gz KAVPCMXGPRMOJI-GVXVVHGQSA-N 0 0 226.316 2.677 10 30 BFEERN CCOC(=O)[C@@H]1O[C@]12CCCC(C)(C)CC2 ZINC000084324464 538531257 /nfs/dbraw/zinc/53/12/57/538531257.db2.gz SQCPGUVKWXEYHH-GWCFXTLKSA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@@]1(C(C)C)O[C@@]12CCCC2(C)C ZINC000086869205 538561067 /nfs/dbraw/zinc/56/10/67/538561067.db2.gz WSQKYLODEDIEJM-CHWSQXEVSA-N 0 0 226.316 2.533 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@@]1(C)C1CCCC1 ZINC000086182570 538550279 /nfs/dbraw/zinc/55/02/79/538550279.db2.gz SINGXAVGOYZENC-STQMWFEESA-N 0 0 226.316 2.533 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@]1(C)CCC(C)C ZINC000086182541 538550315 /nfs/dbraw/zinc/55/03/15/538550315.db2.gz HGZWQJBQIGDTAH-OLZOCXBDSA-N 0 0 228.332 2.779 10 30 BFEERN COC(=O)[C@@]1(C(C)C)O[C@@]1(C)C1CCCC1 ZINC000086182574 538550329 /nfs/dbraw/zinc/55/03/29/538550329.db2.gz SINGXAVGOYZENC-QWHCGFSZSA-N 0 0 226.316 2.533 10 30 BFEERN CC[C@@H]1CC[C@]2(C1)O[C@@]2(C(=O)OC)C(C)C ZINC000086182502 538550473 /nfs/dbraw/zinc/55/04/73/538550473.db2.gz SBXSFMDMOAKLPG-RAIGVLPGSA-N 0 0 226.316 2.533 10 30 BFEERN COC(=O)[C@]1(C(C)C)OC12CCC(C)CC2 ZINC000086182671 538552690 /nfs/dbraw/zinc/55/26/90/538552690.db2.gz PWQCJZVJBRGEFT-GDKBPFBDSA-N 0 0 226.316 2.533 10 30 BFEERN CCC[C@]1(C(=O)OCC)O[C@]12CC[C@@H](C)C2 ZINC000219266959 538525255 /nfs/dbraw/zinc/52/52/55/538525255.db2.gz HFWAORXFRMGJIA-KGYLQXTDSA-N 0 0 226.316 2.677 10 30 BFEERN CCC[C@]1(C(=O)OCC)O[C@@]12CC[C@@H](C)C2 ZINC000219266860 538526147 /nfs/dbraw/zinc/52/61/47/538526147.db2.gz HFWAORXFRMGJIA-RAIGVLPGSA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@@]1(C(C)C)O[C@]12CCC(C)(C)C2 ZINC000087770718 538569461 /nfs/dbraw/zinc/56/94/61/538569461.db2.gz PBDIIRGDFCRJND-QWHCGFSZSA-N 0 0 226.316 2.533 10 30 BFEERN CCC[C@]1(C2CCCC2)O[C@@H]1C(=O)OCC ZINC000313410522 538579205 /nfs/dbraw/zinc/57/92/05/538579205.db2.gz FEULAUZFMQQUKA-DGCLKSJQSA-N 0 0 226.316 2.677 10 30 BFEERN CCC[C@@]1(C2CCCC2)O[C@@]1(C)C(=O)OC ZINC000313426091 538579879 /nfs/dbraw/zinc/57/98/79/538579879.db2.gz YJRKUFJGNCGANQ-STQMWFEESA-N 0 0 226.316 2.677 10 30 BFEERN CC[C@@H]1CCC[C@]2(CC1)O[C@@]2(C)C(=O)OC ZINC000227198956 538616913 /nfs/dbraw/zinc/61/69/13/538616913.db2.gz SSRQMSYERMNYPE-KGYLQXTDSA-N 0 0 226.316 2.677 10 30 BFEERN CO[C@H](C#N)c1ccc(C)cc1Br ZINC000129812676 356969415 /nfs/dbraw/zinc/96/94/15/356969415.db2.gz PTKBFBCVCODLSH-SNVBAGLBSA-N 0 0 240.100 2.969 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000397665807 491106136 /nfs/dbraw/zinc/10/61/36/491106136.db2.gz YAYGGCMBWYWZRI-UPJWGTAASA-N 0 0 234.343 2.575 10 30 BFEERN Cc1cc(O)c(Br)cc1CC#N ZINC000216412029 357069107 /nfs/dbraw/zinc/06/91/07/357069107.db2.gz YZEKCYPJHASHLX-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN C#CC(=O)c1ccc(Br)c(C)c1 ZINC000168734526 357202255 /nfs/dbraw/zinc/20/22/55/357202255.db2.gz NLUFZBSQCNKCDT-UHFFFAOYSA-N 0 0 223.069 2.573 10 30 BFEERN CC(=O)c1ccc(C#CBr)cc1 ZINC000218031519 357265889 /nfs/dbraw/zinc/26/58/89/357265889.db2.gz IRVYWVFLQYNHKF-UHFFFAOYSA-N 0 0 223.069 2.593 10 30 BFEERN Cc1cnc([C@H](C)NCCC(C)(C)C#N)o1 ZINC000230647903 357544247 /nfs/dbraw/zinc/54/42/47/357544247.db2.gz VQSFPMGQMVBFLB-JTQLQIEISA-N 0 0 221.304 2.574 10 30 BFEERN Cc1ccc(F)c(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000230686497 357550167 /nfs/dbraw/zinc/55/01/67/357550167.db2.gz HXBBHGMJVBMPGB-RISCZKNCSA-N 0 0 232.302 2.916 10 30 BFEERN C[C@H]1CC[C@@]2(CCN(C(C)(C)C#N)C2)C1 ZINC000118968376 134223947 /nfs/dbraw/zinc/22/39/47/134223947.db2.gz OTQHONNTMLILJZ-WCQYABFASA-N 0 0 206.333 2.801 10 30 BFEERN C[C@H]1CC[C@]2(CCN(C(C)(C)C#N)C2)C1 ZINC000118968156 134224110 /nfs/dbraw/zinc/22/41/10/134224110.db2.gz OTQHONNTMLILJZ-AAEUAGOBSA-N 0 0 206.333 2.801 10 30 BFEERN C=C(Cl)CN1CCCC[C@@H]1c1cn[nH]c1 ZINC000121817524 134235773 /nfs/dbraw/zinc/23/57/73/134235773.db2.gz VNJFIFKHPKWUQW-LLVKDONJSA-N 0 0 225.723 2.689 10 30 BFEERN Cc1cc(N)cnc1-c1ccc(C#N)cc1 ZINC000169036994 358013700 /nfs/dbraw/zinc/01/37/00/358013700.db2.gz JPJAXBIDCFQEPW-UHFFFAOYSA-N 0 0 209.252 2.511 10 30 BFEERN COc1ccc([C@H](/C=N\O)C(C)C)cc1 ZINC000584611070 358275109 /nfs/dbraw/zinc/27/51/09/358275109.db2.gz BTKMOTKSEVRTCD-YFBAIUBQSA-N 0 0 207.273 2.895 10 30 BFEERN CO/N=C(\Br)c1ccc(C)cc1 ZINC000584611878 358275588 /nfs/dbraw/zinc/27/55/88/358275588.db2.gz VETGIZDAGJJHAY-LUAWRHEFSA-N 0 0 228.089 2.698 10 30 BFEERN C=C(C(C)=O)[C@@H](O)c1cccc(Cl)c1 ZINC000584631150 358275594 /nfs/dbraw/zinc/27/55/94/358275594.db2.gz IQHRXDYCEFSEFA-LLVKDONJSA-N 0 0 210.660 2.519 10 30 BFEERN N#CC1([S@@](=O)c2ccccc2)CCCC1 ZINC000584613734 358278087 /nfs/dbraw/zinc/27/80/87/358278087.db2.gz FPWQMROFWXFNGB-HNNXBMFYSA-N 0 0 219.309 2.631 10 30 BFEERN C=CCCc1cc([N+](=O)[O-])ccc1C(=O)OC ZINC000584597415 358255134 /nfs/dbraw/zinc/25/51/34/358255134.db2.gz FIRPCFJWWSYUST-UHFFFAOYSA-N 0 0 235.239 2.500 10 30 BFEERN C=CC[C@H](Cc1ccccc1)NC(=O)OCC ZINC000584600858 358257708 /nfs/dbraw/zinc/25/77/08/358257708.db2.gz IBCRCBOSNDNPKO-CYBMUJFWSA-N 0 0 233.311 2.920 10 30 BFEERN CCCC[C@H]1CCC(=O)/C(=C\N(C)C)C1 ZINC000584601318 358258235 /nfs/dbraw/zinc/25/82/35/358258235.db2.gz BZUDHVNLKASJGR-NIANNCQZSA-N 0 0 209.333 2.991 10 30 BFEERN CC(=NC#N)N[C@H](C)c1cccc(C)c1C ZINC000584602205 358260080 /nfs/dbraw/zinc/26/00/80/358260080.db2.gz ZZSBTYFXSWMZOT-LLVKDONJSA-N 0 0 215.300 2.854 10 30 BFEERN COc1cccc([C@H]2CC[C@@H](C=O)C2)c1 ZINC000584602873 358260628 /nfs/dbraw/zinc/26/06/28/358260628.db2.gz GOLCAMKBUMDBTP-PWSUYJOCSA-N 0 0 204.269 2.778 10 30 BFEERN CC1(C)[C@H]2CC[C@]1(Br)/C(=N/O)C2 ZINC000584607177 358267119 /nfs/dbraw/zinc/26/71/19/358267119.db2.gz CSBGJIXXZJOLGS-AQRDPWGPSA-N 0 0 232.121 2.790 10 30 BFEERN CC#CCCN=[S@@](C)(=O)c1ccccc1 ZINC000584608457 358268971 /nfs/dbraw/zinc/26/89/71/358268971.db2.gz UCLKMPFKKPZQIZ-HNNXBMFYSA-N 0 0 221.325 2.557 10 30 BFEERN COc1ccc([C@H](/C=N/O)C(C)C)cc1 ZINC000584609251 358270527 /nfs/dbraw/zinc/27/05/27/358270527.db2.gz BTKMOTKSEVRTCD-FMNNIJNLSA-N 0 0 207.273 2.895 10 30 BFEERN CCCCCCC[C@@H](CC=O)OC(C)=O ZINC000584620455 358287384 /nfs/dbraw/zinc/28/73/84/358287384.db2.gz OPTYPNYDILEGKL-LBPRGKRZSA-N 0 0 214.305 2.868 10 30 BFEERN N#CC[C@@H](O)Cc1cccc2ccccc21 ZINC000584620768 358288186 /nfs/dbraw/zinc/28/81/86/358288186.db2.gz ZSJSSVKSDPYVKE-CYBMUJFWSA-N 0 0 211.264 2.657 10 30 BFEERN CO/N=C(\C)c1oc2ccccc2c1C#N ZINC000584621900 358290149 /nfs/dbraw/zinc/29/01/49/358290149.db2.gz VEFJDEJTGVDPKA-RIYZIHGNSA-N 0 0 214.224 2.675 10 30 BFEERN C=C(C)CC(F)(F)[C@H](O)c1ccccn1 ZINC000584622679 358290707 /nfs/dbraw/zinc/29/07/07/358290707.db2.gz USDFKNHVPSVIIN-SNVBAGLBSA-N 0 0 213.227 2.717 10 30 BFEERN CC(=O)/C(C)=N/[C@@H](C)Cc1ccccc1 ZINC000584624426 358292381 /nfs/dbraw/zinc/29/23/81/358292381.db2.gz IASPTPUYELPTOQ-AYDSOBSRSA-N 0 0 203.285 2.668 10 30 BFEERN C#Cc1c(N)c(F)c(F)c(C(F)(F)F)c1F ZINC000584625237 358293774 /nfs/dbraw/zinc/29/37/74/358293774.db2.gz KWLAGXYICRJWCJ-UHFFFAOYSA-N 0 0 239.118 2.686 10 30 BFEERN N#Cc1cc(OCC(F)(F)F)c(C2CC2)cn1 ZINC000584628729 358297763 /nfs/dbraw/zinc/29/77/63/358297763.db2.gz PVZVCNQYGAKGGR-UHFFFAOYSA-N 0 0 242.200 2.772 10 30 BFEERN N#Cc1cc(C2(C(F)(F)F)CC2)ccn1 ZINC000584628349 358297829 /nfs/dbraw/zinc/29/78/29/358297829.db2.gz BLZVWBMPIVJFPM-UHFFFAOYSA-N 0 0 212.174 2.547 10 30 BFEERN COc1cccc(CCc2cccnc2C#N)c1 ZINC000584628446 358298182 /nfs/dbraw/zinc/29/81/82/358298182.db2.gz GURQVLCNLXHGIU-UHFFFAOYSA-N 0 0 238.290 2.747 10 30 BFEERN CC(=O)[C@H](C#N)c1ccc(C(F)(F)F)cc1 ZINC000584657494 358309421 /nfs/dbraw/zinc/30/94/21/358309421.db2.gz PTBMMMUVNNIVKD-JTQLQIEISA-N 0 0 227.185 2.902 10 30 BFEERN CC(=O)[C@@H](C#N)c1ccc(C(F)(F)F)cc1 ZINC000584657495 358309442 /nfs/dbraw/zinc/30/94/42/358309442.db2.gz PTBMMMUVNNIVKD-SNVBAGLBSA-N 0 0 227.185 2.902 10 30 BFEERN C=CC/C(C(=O)OCC)=C(\C)SC(C)=O ZINC000584658247 358310129 /nfs/dbraw/zinc/31/01/29/358310129.db2.gz UEGVPPOLXXRHAT-NTMALXAHSA-N 0 0 228.313 2.679 10 30 BFEERN N#CC[C@@H]1OC(=O)c2c1cccc2C(F)(F)F ZINC000584631287 358282868 /nfs/dbraw/zinc/28/28/68/358282868.db2.gz KIEXSFHUSQTGPG-QMMMGPOBSA-N 0 0 241.168 2.831 10 30 BFEERN N#C[C@@H]1CC(=O)c2cc(Br)ccc21 ZINC000584618560 358284274 /nfs/dbraw/zinc/28/42/74/358284274.db2.gz LVEOQIAHRMAFEO-LURJTMIESA-N 0 0 236.068 2.643 10 30 BFEERN COc1cc2c(c(OC)c1OC)CC[C@@H]2CC#N ZINC000584618626 358284696 /nfs/dbraw/zinc/28/46/96/358284696.db2.gz SZKSUNQJEVRIGJ-SECBINFHSA-N 0 0 247.294 2.656 10 30 BFEERN C#C[C@](C)(O)CCC[C@@](C)(CCC)OC ZINC000584647343 358332045 /nfs/dbraw/zinc/33/20/45/358332045.db2.gz OWRCHAAWYKXSAU-QWHCGFSZSA-N 0 0 212.333 2.746 10 30 BFEERN C#C[C@@](C)(CCCC(C)(C)OC)OC(C)=O ZINC000584647397 358332350 /nfs/dbraw/zinc/33/23/50/358332350.db2.gz RAJUGZDBCQPQJB-ZDUSSCGKSA-N 0 0 226.316 2.537 10 30 BFEERN C=C[C@@]1(c2c(F)cccc2F)COC(=O)O1 ZINC000584633521 358316927 /nfs/dbraw/zinc/31/69/27/358316927.db2.gz UGIWJVDQVZMVCL-NSHDSACASA-N 0 0 226.178 2.513 10 30 BFEERN CC(=O)/C=C/N(C)c1cccc(Cl)c1 ZINC000584635741 358320010 /nfs/dbraw/zinc/32/00/10/358320010.db2.gz NAXYEDGEARFULR-VOTSOKGWSA-N 0 0 209.676 2.879 10 30 BFEERN O/N=C/c1c[nH]c2ccc(OC(F)(F)F)cc12 ZINC000584639392 358324584 /nfs/dbraw/zinc/32/45/84/358324584.db2.gz YHZMWSLUEGPLFY-PJQLUOCWSA-N 0 0 244.172 2.875 10 30 BFEERN C[C@H](C#N)N1CCC(Cc2ccccc2)CC1 ZINC000047915474 358607266 /nfs/dbraw/zinc/60/72/66/358607266.db2.gz DFCBCYCKPBXNNE-CYBMUJFWSA-N 0 0 228.339 2.853 10 30 BFEERN Cc1cc(NCc2cccnc2)c(C#N)c(C)n1 ZINC000212669116 358609667 /nfs/dbraw/zinc/60/96/67/358609667.db2.gz GZOKIBNCAQHTQN-UHFFFAOYSA-N 0 0 238.294 2.577 10 30 BFEERN C[C@H](N[C@@H]1CCCC[C@H]1C#N)c1ccccn1 ZINC000160848909 358965304 /nfs/dbraw/zinc/96/53/04/358965304.db2.gz LLGVQDZFVUJQTH-SGMGOOAPSA-N 0 0 229.327 2.815 10 30 BFEERN C#C[C@H](NC)c1ccc(Cl)cc1Cl ZINC000130207068 358952149 /nfs/dbraw/zinc/95/21/49/358952149.db2.gz QDSRBYLMSIXJIF-JTQLQIEISA-N 0 0 214.095 2.887 10 30 BFEERN Cc1cc(NCC#N)c(F)cc1Br ZINC000306169651 358978191 /nfs/dbraw/zinc/97/81/91/358978191.db2.gz RECSTIYMFHJJJX-UHFFFAOYSA-N 0 0 243.079 2.832 10 30 BFEERN N#CCC[C@H](C#N)CN1CCC[C@H]1c1ccco1 ZINC000247554377 359234158 /nfs/dbraw/zinc/23/41/58/359234158.db2.gz SWKOALBXSIYDBK-OLZOCXBDSA-N 0 0 243.310 2.860 10 30 BFEERN CC(C)=CC(=O)c1ccc2c(c1)COC2 ZINC000169148453 359360309 /nfs/dbraw/zinc/36/03/09/359360309.db2.gz SHTHLRLLEZJILX-UHFFFAOYSA-N 0 0 202.253 2.866 10 30 BFEERN N#Cc1ccnc(Sc2ccc(CO)cc2)c1 ZINC000130304328 359329566 /nfs/dbraw/zinc/32/95/66/359329566.db2.gz SUPYTOZBUCEULW-UHFFFAOYSA-N 0 0 242.303 2.597 10 30 BFEERN Cc1cnccc1[C@]1(C#N)CCCS1 ZINC000306222234 359344645 /nfs/dbraw/zinc/34/46/45/359344645.db2.gz KBJOHNFHWKLBKZ-LLVKDONJSA-N 0 0 204.298 2.636 10 30 BFEERN C[C@@H](C#N)[C@@H](O)c1ccsc1Cl ZINC000306220909 359346476 /nfs/dbraw/zinc/34/64/76/359346476.db2.gz IQSSCTWKBFVNNT-CAHLUQPWSA-N 0 0 201.678 2.595 10 30 BFEERN CCOC(=O)C#Cc1cc(C)ccc1Cl ZINC000306224246 359347656 /nfs/dbraw/zinc/34/76/56/359347656.db2.gz ZKTSVPKCTGPBLZ-UHFFFAOYSA-N 0 0 222.671 2.563 10 30 BFEERN C=C(CC)CNc1cc(N)c(C#N)s1 ZINC000306248506 359444468 /nfs/dbraw/zinc/44/44/68/359444468.db2.gz UXXXZKJGMSKTRH-UHFFFAOYSA-N 0 0 207.302 2.580 10 30 BFEERN C[C@@]1(c2cccc(Cl)c2)CC[C@@H](C=O)O1 ZINC000306420889 359865514 /nfs/dbraw/zinc/86/55/14/359865514.db2.gz GKODGGXSINWTPX-RYUDHWBXSA-N 0 0 224.687 2.933 10 30 BFEERN C[C@H]1C[C@@H]1CNc1c(Cl)nsc1C#N ZINC000306432925 359916993 /nfs/dbraw/zinc/91/69/93/359916993.db2.gz VFZVZHSEIJKUEG-NTSWFWBYSA-N 0 0 227.720 2.736 10 30 BFEERN CC#C[C@H](O)c1sccc1Br ZINC000306430759 359918005 /nfs/dbraw/zinc/91/80/05/359918005.db2.gz GFUBEKHAYWBURE-ZETCQYMHSA-N 0 0 231.114 2.567 10 30 BFEERN C#CC[C@@H](C)Nc1csc(Cl)n1 ZINC000306494165 360217023 /nfs/dbraw/zinc/21/70/23/360217023.db2.gz AVFYBKZCQZETRS-ZCFIWIBFSA-N 0 0 200.694 2.620 10 30 BFEERN C=CCN(C)c1cc(Cl)c(F)cc1N ZINC000306524060 360367526 /nfs/dbraw/zinc/36/75/26/360367526.db2.gz WYSVAEVGQQDYTG-UHFFFAOYSA-N 0 0 214.671 2.684 10 30 BFEERN C=C[C@@H](C)Nc1ncc(Br)s1 ZINC000306531102 360393244 /nfs/dbraw/zinc/39/32/44/360393244.db2.gz HXRCCQCXBYTLMU-RXMQYKEDSA-N 0 0 233.134 2.892 10 30 BFEERN CC[C@H]1CC[C@](C#N)(c2nncs2)C1 ZINC000306545199 360414249 /nfs/dbraw/zinc/41/42/49/360414249.db2.gz APDKUZQMJHTQKZ-WPRPVWTQSA-N 0 0 207.302 2.510 10 30 BFEERN O=C[C@@H]1CCCCN1Cc1csc(Cl)c1 ZINC000306547835 360417942 /nfs/dbraw/zinc/41/79/42/360417942.db2.gz XJLVYNCCGVYICN-JTQLQIEISA-N 0 0 243.759 2.955 10 30 BFEERN C=C[C@@H](C)ONCCCOCc1ccccc1 ZINC000306587344 360491433 /nfs/dbraw/zinc/49/14/33/360491433.db2.gz SDAYXAJKFWSZCU-CYBMUJFWSA-N 0 0 235.327 2.689 10 30 BFEERN O=C1C=C(CC[C@@H]2CCOC2)CCCC1 ZINC000306588338 360492035 /nfs/dbraw/zinc/49/20/35/360492035.db2.gz SZLYFWYVZNKATE-GFCCVEGCSA-N 0 0 208.301 2.873 10 30 BFEERN Cc1ccc([N+](=O)[O-])c(CC#N)c1Cl ZINC000306599428 360521062 /nfs/dbraw/zinc/52/10/62/360521062.db2.gz HHIRVNIPDCGTNZ-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN C#C[C@@H](Nc1ccc(Cl)cn1)C(C)C ZINC000300836345 360532217 /nfs/dbraw/zinc/53/22/17/360532217.db2.gz CPFGNEIFLVKRKM-SNVBAGLBSA-N 0 0 208.692 2.805 10 30 BFEERN N#Cc1cc(N)c(Cl)cc1C(F)(F)F ZINC000306604985 360532252 /nfs/dbraw/zinc/53/22/52/360532252.db2.gz OVWQSOFOUXDYDV-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN Cc1ccc([C@@]2(C)CC(=O)C=CO2)cc1 ZINC000069852345 360723668 /nfs/dbraw/zinc/72/36/68/360723668.db2.gz IAKOEQIKMORNHZ-CYBMUJFWSA-N 0 0 202.253 2.713 10 30 BFEERN O=C1C=CO[C@H](c2ccc(Br)o2)C1 ZINC000069850437 360702779 /nfs/dbraw/zinc/70/27/79/360702779.db2.gz CCJPCOGANSSUNA-QMMMGPOBSA-N 0 0 243.056 2.586 10 30 BFEERN O=C1C=CO[C@@H](c2ccc(F)cc2F)C1 ZINC000069850441 360703026 /nfs/dbraw/zinc/70/30/26/360703026.db2.gz UXDDRLQJPDQPCG-LLVKDONJSA-N 0 0 210.179 2.509 10 30 BFEERN CCOc1cc(CC)cc(CC#N)c1F ZINC000238264399 360769424 /nfs/dbraw/zinc/76/94/24/360769424.db2.gz ATMOTPWPKXULDR-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1nc(C)ccc1C#N ZINC000161641290 200723020 /nfs/dbraw/zinc/72/30/20/200723020.db2.gz FZWCEBJDLRPYNI-JQWIXIFHSA-N 0 0 215.300 2.862 10 30 BFEERN CN(C)c1ccc2ncc(C#N)c(Cl)c2c1 ZINC000036335634 360926065 /nfs/dbraw/zinc/92/60/65/360926065.db2.gz UQYMCMMGLBPVTQ-UHFFFAOYSA-N 0 0 231.686 2.826 10 30 BFEERN COc1ccc(C(F)(F)F)c(CC#N)c1 ZINC000238354371 360932527 /nfs/dbraw/zinc/93/25/27/360932527.db2.gz PIZWLACAMOSLSW-UHFFFAOYSA-N 0 0 215.174 2.780 10 30 BFEERN NC(=S)NN=C1CCC(c2ccccc2)CC1 ZINC000089286537 181318746 /nfs/dbraw/zinc/31/87/46/181318746.db2.gz IDIKTKKOMQISIO-UHFFFAOYSA-N 0 0 247.367 2.533 10 30 BFEERN N#Cc1nc(OC(F)(F)F)ccc1Cl ZINC000238534708 361143372 /nfs/dbraw/zinc/14/33/72/361143372.db2.gz ZYZOKYWRHSTOMR-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#Cc1cnc2ccccc2c1Br ZINC000036913260 361578732 /nfs/dbraw/zinc/57/87/32/361578732.db2.gz JBDCUTUERAYZLA-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN C=CCCN1CCC(=O)c2ccccc21 ZINC000070601312 361584954 /nfs/dbraw/zinc/58/49/54/361584954.db2.gz WYEQCHHMVNVYRN-UHFFFAOYSA-N 0 0 201.269 2.656 10 30 BFEERN C[C@@H]1CC[C@](C#N)(NCc2ccccc2)C1 ZINC000070644596 361693022 /nfs/dbraw/zinc/69/30/22/361693022.db2.gz ABLIEKHIVCEFOX-OCCSQVGLSA-N 0 0 214.312 2.859 10 30 BFEERN C[C@H]1CC[C@@](C#N)(NCc2ccccc2)C1 ZINC000070644595 361693394 /nfs/dbraw/zinc/69/33/94/361693394.db2.gz ABLIEKHIVCEFOX-GXTWGEPZSA-N 0 0 214.312 2.859 10 30 BFEERN Cc1cc(CN[C@H]2CCC[C@@H]2C#N)cs1 ZINC000328512250 363889678 /nfs/dbraw/zinc/88/96/78/363889678.db2.gz BZADEVAWXTVSTN-NEPJUHHUSA-N 0 0 220.341 2.838 10 30 BFEERN CCO/C=C1\C(=O)c2ccccc2[C@@H]1C ZINC000307068773 541314927 /nfs/dbraw/zinc/31/49/27/541314927.db2.gz XTNRPFCNZQOSDC-RILYUOAZSA-N 0 0 202.253 2.907 10 30 BFEERN CN(C)/C=C1/CCC2(CCCCC2)C1=O ZINC000307152738 541315025 /nfs/dbraw/zinc/31/50/25/541315025.db2.gz APTGTDXMTWBDHN-KHPPLWFESA-N 0 0 207.317 2.745 10 30 BFEERN C[C@H](Nc1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000037412632 364012844 /nfs/dbraw/zinc/01/28/44/364012844.db2.gz VNZAKPQCRLZYIA-TVQRCGJNSA-N 0 0 234.274 2.677 10 30 BFEERN N#Cc1cc(Oc2ccccc2)ccc1N ZINC000079978542 370711295 /nfs/dbraw/zinc/71/12/95/370711295.db2.gz CQKSJKHFWQJOQN-UHFFFAOYSA-N 0 0 210.236 2.933 10 30 BFEERN C=C(Br)COc1ccccc1O ZINC000037681816 364517645 /nfs/dbraw/zinc/51/76/45/364517645.db2.gz GBUDKNDNYWRKID-UHFFFAOYSA-N 0 0 229.073 2.680 10 30 BFEERN CCOC(=O)CC1([C@@H]2CO2)C[C@@H](C)C[C@H](C)C1 ZINC000675053058 541430729 /nfs/dbraw/zinc/43/07/29/541430729.db2.gz KWULXXXTKYYALA-SRVKXCTJSA-N 0 0 240.343 2.781 10 30 BFEERN CC[C@H](C)C[C@]1(CC)O[C@@]1(Cl)C(=O)OC ZINC000234002922 541510242 /nfs/dbraw/zinc/51/02/42/541510242.db2.gz WBQVWOPMGVFQIO-LSJOCFKGSA-N 0 0 234.723 2.710 10 30 BFEERN CCC[C@@]1(CC)O[C@]1(CC)C(=O)OCC ZINC000233317977 541508877 /nfs/dbraw/zinc/50/88/77/541508877.db2.gz MWKXXBCJYSZGCP-VXGBXAGGSA-N 0 0 214.305 2.677 10 30 BFEERN COc1cccc(/C=N/[S@](=O)C(C)(C)C)c1 ZINC000225901913 368418385 /nfs/dbraw/zinc/41/83/85/368418385.db2.gz OGPGPRYEHCTDOT-LRFDDAOPSA-N 0 0 239.340 2.576 10 30 BFEERN C=CCO/N=C(\C)[C@H]1Cc2ccccc21 ZINC000038802257 368409453 /nfs/dbraw/zinc/40/94/53/368409453.db2.gz HPRZOWDDBBRHCA-PCRWRXJSSA-N 0 0 201.269 2.905 10 30 BFEERN C=CCO/N=C(\C)[C@@H]1Cc2ccccc21 ZINC000038802255 368409792 /nfs/dbraw/zinc/40/97/92/368409792.db2.gz HPRZOWDDBBRHCA-LFGHMXSPSA-N 0 0 201.269 2.905 10 30 BFEERN C=CCN(C)C(=O)NC1CCC(CC)CC1 ZINC000153872676 326116961 /nfs/dbraw/zinc/11/69/61/326116961.db2.gz NAHDZKLFSRLICY-UHFFFAOYSA-N 0 0 224.348 2.783 10 30 BFEERN C=C[C@H](O)c1ccc(Br)cc1 ZINC000083813450 368822712 /nfs/dbraw/zinc/82/27/12/368822712.db2.gz DNFHNWHADKQZCE-VIFPVBQESA-N 0 0 213.074 2.669 10 30 BFEERN CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1ccc(C#N)cc1 ZINC000250223755 368902457 /nfs/dbraw/zinc/90/24/57/368902457.db2.gz IOWILFAWMNFSLT-CLLJXQQHSA-N 0 0 240.306 2.567 10 30 BFEERN C=CCc1c(C)ccc2c1CCC(=O)N2 ZINC000113815479 368908328 /nfs/dbraw/zinc/90/83/28/368908328.db2.gz LYRFHQXQXXNQST-UHFFFAOYSA-N 0 0 201.269 2.608 10 30 BFEERN CCCCOC(=O)c1c[nH]c2ccc(C#N)cc21 ZINC000616219270 369063736 /nfs/dbraw/zinc/06/37/36/369063736.db2.gz BSGAWIYLKCHINY-UHFFFAOYSA-N 0 0 242.278 2.996 10 30 BFEERN C=CCC(=O)Nc1ccc(Br)cc1 ZINC000054400209 369070407 /nfs/dbraw/zinc/07/04/07/369070407.db2.gz HULOSXHIMGMELT-UHFFFAOYSA-N 0 0 240.100 2.964 10 30 BFEERN CC[C@H](C#N)C(=O)c1cccc(F)c1F ZINC000054207110 369060222 /nfs/dbraw/zinc/06/02/22/369060222.db2.gz NATYZBXXUWOURR-SSDOTTSWSA-N 0 0 209.195 2.697 10 30 BFEERN Cc1cc(CN[C@H]2CCCC[C@H]2C#N)sn1 ZINC000404308693 369427022 /nfs/dbraw/zinc/42/70/22/369427022.db2.gz GWBGOHIAOQIQNW-JQWIXIFHSA-N 0 0 235.356 2.624 10 30 BFEERN CC#CCC[C@]1(O)CSCCC1(C)C ZINC000161511933 369561264 /nfs/dbraw/zinc/56/12/64/369561264.db2.gz OPVPJLBVFKEGGI-LBPRGKRZSA-N 0 0 212.358 2.684 10 30 BFEERN N#Cc1c(-c2ccsc2)n[nH]c1C1CC1 ZINC000409441581 369978456 /nfs/dbraw/zinc/97/84/56/369978456.db2.gz RVXYFFRMZNCASI-UHFFFAOYSA-N 0 0 215.281 2.887 10 30 BFEERN CC[C@@H](C)c1cc(C#N)nc(C2CC2)n1 ZINC000409438146 369976923 /nfs/dbraw/zinc/97/69/23/369976923.db2.gz KWZGRVBEDVJGSG-MRVPVSSYSA-N 0 0 201.273 2.739 10 30 BFEERN Cc1ccc(Cc2cc(C#N)nc(C)n2)cc1 ZINC000409440131 369977022 /nfs/dbraw/zinc/97/70/22/369977022.db2.gz VYRFZVNLOXDVBR-UHFFFAOYSA-N 0 0 223.279 2.556 10 30 BFEERN N#Cc1c(C2CC2)[nH]nc1C1CCCC1 ZINC000409441275 369977758 /nfs/dbraw/zinc/97/77/58/369977758.db2.gz QOOQZTDXNPLCOZ-UHFFFAOYSA-N 0 0 201.273 2.816 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1cc(C#N)nc(CC)n1 ZINC000308173217 370107096 /nfs/dbraw/zinc/10/70/96/370107096.db2.gz XPCDTZPFFXTPRJ-KOLCDFICSA-N 0 0 230.315 2.511 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1cc(C#N)nc(CC)n1 ZINC000308173219 370107237 /nfs/dbraw/zinc/10/72/37/370107237.db2.gz XPCDTZPFFXTPRJ-ONGXEEELSA-N 0 0 230.315 2.511 10 30 BFEERN N#C[C@H]1CCCC[C@H]1NCc1ccsc1 ZINC000063152791 370136899 /nfs/dbraw/zinc/13/68/99/370136899.db2.gz HAJIRZWHQULUBP-VXGBXAGGSA-N 0 0 220.341 2.920 10 30 BFEERN N#Cc1cc(F)c(C(F)(F)F)c(F)c1 ZINC000002382339 370410500 /nfs/dbraw/zinc/41/05/00/370410500.db2.gz QMJKQADKFUOYPQ-UHFFFAOYSA-N 0 0 207.101 2.855 10 30 BFEERN C[C@@H]1CCC[C@H](SC[C@@](C)(N)C#N)C1 ZINC000226537200 370573075 /nfs/dbraw/zinc/57/30/75/370573075.db2.gz RQXRABCSZYTCPN-VWYCJHECSA-N 0 0 212.362 2.539 10 30 BFEERN Cc1cc(N2CCCCCC2)c(C#N)c(C)n1 ZINC000156533733 371442728 /nfs/dbraw/zinc/44/27/28/371442728.db2.gz LAADILWKERXUCG-UHFFFAOYSA-N 0 0 229.327 2.951 10 30 BFEERN C=CCCC(=O)c1cccc(OC(C)=O)c1 ZINC000393806567 371529609 /nfs/dbraw/zinc/52/96/09/371529609.db2.gz QIOXBCMZBGEASD-UHFFFAOYSA-N 0 0 218.252 2.761 10 30 BFEERN N#Cc1c(Cl)cccc1OCC(F)F ZINC000126784689 371551853 /nfs/dbraw/zinc/55/18/53/371551853.db2.gz AJESQKDPYLRJHA-UHFFFAOYSA-N 0 0 217.602 2.856 10 30 BFEERN C[C@H](CO)Sc1cccc(Cl)c1C#N ZINC000162416236 371675389 /nfs/dbraw/zinc/67/53/89/371675389.db2.gz ZQVVZVXSQMGTDR-SSDOTTSWSA-N 0 0 227.716 2.685 10 30 BFEERN C=C[C@H](O)c1ccc(Br)c(F)c1 ZINC000162577638 371719253 /nfs/dbraw/zinc/71/92/53/371719253.db2.gz JEANJNUJYOPNBV-VIFPVBQESA-N 0 0 231.064 2.808 10 30 BFEERN CC(C)(C)CCOc1ccc(/C(N)=N/O)cc1 ZINC000049254843 166574651 /nfs/dbraw/zinc/57/46/51/166574651.db2.gz RBUZKIFKAPPIQV-UHFFFAOYSA-N 0 0 236.315 2.596 10 30 BFEERN Cc1c(Br)ccc(F)c1CC#N ZINC000216524880 371762739 /nfs/dbraw/zinc/76/27/39/371762739.db2.gz ODCJLCWFJUYIEO-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN C[C@H](C=O)c1cc(Br)ccc1F ZINC000132281310 371783212 /nfs/dbraw/zinc/78/32/12/371783212.db2.gz RZLCEJWLNCUEFR-ZCFIWIBFSA-N 0 0 231.064 2.891 10 30 BFEERN C=CCC(=O)c1cccc2c1OCCC2 ZINC000132466549 371829816 /nfs/dbraw/zinc/82/98/16/371829816.db2.gz YZQOLHAWYGRUOB-UHFFFAOYSA-N 0 0 202.253 2.770 10 30 BFEERN N#Cc1cc2ccc(Br)cc2cn1 ZINC000216749076 371801888 /nfs/dbraw/zinc/80/18/88/371801888.db2.gz JALNEVJTSZYVNA-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN C=CCNc1cc(Br)cc(C#N)c1 ZINC000227606368 371902545 /nfs/dbraw/zinc/90/25/45/371902545.db2.gz ACXBRSNUVWDQRY-UHFFFAOYSA-N 0 0 237.100 2.919 10 30 BFEERN C#CCCC[C@]1(O)CSCC(C)(C)C1 ZINC000163270510 371959994 /nfs/dbraw/zinc/95/99/94/371959994.db2.gz MDGCEMQWYIXWQL-GFCCVEGCSA-N 0 0 212.358 2.684 10 30 BFEERN C=C(Cl)CNc1cccc(N(C)C)c1 ZINC000227986641 371968343 /nfs/dbraw/zinc/96/83/43/371968343.db2.gz PMOQHVFXXRNIGP-UHFFFAOYSA-N 0 0 210.708 2.917 10 30 BFEERN C#C[C@@H](C)Nc1ncc(C)cc1Br ZINC000163478407 372001927 /nfs/dbraw/zinc/00/19/27/372001927.db2.gz WDNDEZILFUUQIE-MRVPVSSYSA-N 0 0 239.116 2.586 10 30 BFEERN CCN[C@H](C#N)c1sccc1Br ZINC000228006454 371972317 /nfs/dbraw/zinc/97/23/17/371972317.db2.gz MPFPGKDGIGQRQT-SSDOTTSWSA-N 0 0 245.145 2.685 10 30 BFEERN C[C@@H](C#N)[C@@H](O)c1sccc1Br ZINC000228023887 371978521 /nfs/dbraw/zinc/97/85/21/371978521.db2.gz HPZNCNDGQJAAEI-CAHLUQPWSA-N 0 0 246.129 2.704 10 30 BFEERN C=C(C)C(=O)c1ncccc1Br ZINC000133063738 371981648 /nfs/dbraw/zinc/98/16/48/371981648.db2.gz DKTLBHVXQSXLPO-UHFFFAOYSA-N 0 0 226.073 2.603 10 30 BFEERN O=C(N=C1CCCCCN1)Nc1ccccc1 ZINC000169315621 181852049 /nfs/dbraw/zinc/85/20/49/181852049.db2.gz JUVJMTCRMIAYET-UHFFFAOYSA-N 0 0 231.299 2.781 10 30 BFEERN C[C@@H]1CC[C@@](C=O)(Cc2cncs2)C1 ZINC000306720760 372060165 /nfs/dbraw/zinc/06/01/65/372060165.db2.gz CZQSAKJDDGKDOU-KOLCDFICSA-N 0 0 209.314 2.691 10 30 BFEERN CC[C@@H](C)Sc1cc(C#N)nc(C)n1 ZINC000306679131 372054826 /nfs/dbraw/zinc/05/48/26/372054826.db2.gz BYSFKIALLUJYET-SSDOTTSWSA-N 0 0 207.302 2.547 10 30 BFEERN C=CC[C@H](C)Nc1cc(Br)ncn1 ZINC000229324651 372142514 /nfs/dbraw/zinc/14/25/14/372142514.db2.gz PVBUJNNUDJSDFX-ZETCQYMHSA-N 0 0 242.120 2.616 10 30 BFEERN C=C[C@H](C)Nc1nc(Cl)ncc1Cl ZINC000229319222 372142974 /nfs/dbraw/zinc/14/29/74/372142974.db2.gz FWMQGCNDYWQVPY-YFKPBYRVSA-N 0 0 218.087 2.770 10 30 BFEERN C=C(C)CNc1cccc(Br)n1 ZINC000229342676 372145049 /nfs/dbraw/zinc/14/50/49/372145049.db2.gz DDPLFESXMZGKPK-UHFFFAOYSA-N 0 0 227.105 2.832 10 30 BFEERN O=[N+]([O-])c1cc(Br)ccc1CS ZINC000218800566 372154672 /nfs/dbraw/zinc/15/46/72/372154672.db2.gz VIBKUGXPUJEQFQ-UHFFFAOYSA-N 0 0 248.101 2.787 10 30 BFEERN CCCCN(c1ncc(N)cc1C#N)[C@@H](C)CC ZINC000042602535 168823878 /nfs/dbraw/zinc/82/38/78/168823878.db2.gz QYKXNNKREDAQAN-NSHDSACASA-N 0 0 246.358 2.940 10 30 BFEERN Cc1cc(C)nc(SC[C@H](C)C#N)c1 ZINC000229852042 372201371 /nfs/dbraw/zinc/20/13/71/372201371.db2.gz XUWGTPCKSPZXIG-SECBINFHSA-N 0 0 206.314 2.950 10 30 BFEERN O=C(CS)c1ccc2c(c1)CCCC2 ZINC000057494239 182005692 /nfs/dbraw/zinc/00/56/92/182005692.db2.gz VVOIJHMQCNCKDY-UHFFFAOYSA-N 0 0 206.310 2.678 10 30 BFEERN O=C(CS)Nc1c(Cl)cccc1Cl ZINC000084844245 182006839 /nfs/dbraw/zinc/00/68/39/182006839.db2.gz HJMIYGDIKLUAGA-UHFFFAOYSA-N 0 0 236.123 2.862 10 30 BFEERN O=C(NCCCCCCS)c1ccccc1 ZINC000013609356 182159445 /nfs/dbraw/zinc/15/94/45/182159445.db2.gz HCPPYAZFTICCOW-UHFFFAOYSA-N 0 0 237.368 2.907 10 30 in-vivo BFEERN C#CCCNc1cccc(Cl)c1C#N ZINC000069790932 373764100 /nfs/dbraw/zinc/76/41/00/373764100.db2.gz MICBFRNKGQQTEN-UHFFFAOYSA-N 0 0 204.660 2.647 10 30 BFEERN O=C1C=CO[C@@H](c2cccc(F)c2F)C1 ZINC000069850347 373877185 /nfs/dbraw/zinc/87/71/85/373877185.db2.gz ZEZPKUDCSNVIPB-SNVBAGLBSA-N 0 0 210.179 2.509 10 30 BFEERN N#CCc1c(Cl)cc(N)cc1Cl ZINC000142831211 374101923 /nfs/dbraw/zinc/10/19/23/374101923.db2.gz KRMVXTWLGCSTHO-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN C=CCCC(=O)c1ccccc1C(=O)OC ZINC000381259263 374102792 /nfs/dbraw/zinc/10/27/92/374102792.db2.gz RCZSDYHEBRPIBM-UHFFFAOYSA-N 0 0 218.252 2.622 10 30 BFEERN N#CC(c1cccc(F)c1)C(F)(F)F ZINC000071611035 374278530 /nfs/dbraw/zinc/27/85/30/374278530.db2.gz XLQQVGVQZVYFQK-MRVPVSSYSA-N 0 0 203.138 2.995 10 30 BFEERN O=[N+]([O-])c1ccc(N=NC2C[C@H]3CC=C[C@H]23)cc1 ZINC000013133324 182933713 /nfs/dbraw/zinc/93/37/13/182933713.db2.gz UMWAQZYZZVEAOD-XZEJSEMASA-N 0 0 243.266 2.959 10 30 BFEERN O=[N+]([O-])c1ccc(N=NC2C[C@@H]3CC=C[C@H]23)cc1 ZINC000013133323 182934011 /nfs/dbraw/zinc/93/40/11/182934011.db2.gz UMWAQZYZZVEAOD-BTCRKOMKSA-N 0 0 243.266 2.959 10 30 BFEERN OCCC#Cc1ccc(COC2CCC2)c(F)c1 ZINC000050521153 183042170 /nfs/dbraw/zinc/04/21/70/183042170.db2.gz QZAYCPQHSOUIRW-UHFFFAOYSA-N 0 0 248.297 2.629 10 30 BFEERN OCCC#Cc1cccc(OC2CCCC2)c1 ZINC000037544289 183042871 /nfs/dbraw/zinc/04/28/71/183042871.db2.gz VRERPSUEFKRPIL-UHFFFAOYSA-N 0 0 230.307 2.742 10 30 BFEERN CCCC[C@](C)(O)c1ccc(C#N)cc1 ZINC000039602834 169015277 /nfs/dbraw/zinc/01/52/77/169015277.db2.gz XHQHGMYHZBIMNW-ZDUSSCGKSA-N 0 0 203.285 2.956 10 30 BFEERN CCCN(C(=O)C1(C#N)CCCC1)C(C)C ZINC000044765493 169040373 /nfs/dbraw/zinc/04/03/73/169040373.db2.gz BKLKHNDEUJTYDG-UHFFFAOYSA-N 0 0 222.332 2.717 10 30 BFEERN CCCN(CC(F)(F)F)c1ncccc1C#N ZINC000042780609 169107517 /nfs/dbraw/zinc/10/75/17/169107517.db2.gz XUYLVMPFTQWGSH-UHFFFAOYSA-N 0 0 243.232 2.732 10 30 BFEERN Oc1ccc(/C=N/c2cccc(O)c2)cc1 ZINC000084668791 183267504 /nfs/dbraw/zinc/26/75/04/183267504.db2.gz CFJPDKJMOFNJPM-NTEUORMPSA-N 0 0 213.236 2.848 10 30 BFEERN CCCN(c1ccc(C#N)cc1N)C1CC1 ZINC000035674682 169182757 /nfs/dbraw/zinc/18/27/57/169182757.db2.gz UJVZPKCLMQNNQS-UHFFFAOYSA-N 0 0 215.300 2.519 10 30 BFEERN CCCN(c1ccc(N)cc1C#N)C1CC1 ZINC000041020720 169182864 /nfs/dbraw/zinc/18/28/64/169182864.db2.gz JDDFNJWXPDWFDD-UHFFFAOYSA-N 0 0 215.300 2.519 10 30 BFEERN SCc1nnc(-c2ccc(Cl)cc2)o1 ZINC000057953204 183316063 /nfs/dbraw/zinc/31/60/63/183316063.db2.gz DSJURSDWWXOZPW-UHFFFAOYSA-N 0 0 226.688 2.820 10 30 BFEERN CCCNC(=O)C(C#N)(CCC)CCC ZINC000044808636 169214272 /nfs/dbraw/zinc/21/42/72/169214272.db2.gz MFWBXRCZGYCASJ-UHFFFAOYSA-N 0 0 210.321 2.623 10 30 BFEERN CCCN[C@@](C)(C#N)c1ccc(C)cc1 ZINC000026517057 169283997 /nfs/dbraw/zinc/28/39/97/169283997.db2.gz LJZBCEHCVNVHGE-ZDUSSCGKSA-N 0 0 202.301 2.733 10 30 BFEERN CCCN[C@H](C#N)c1c(F)cccc1F ZINC000020380574 169284097 /nfs/dbraw/zinc/28/40/97/169284097.db2.gz XCEGZWJGBZFSSJ-SNVBAGLBSA-N 0 0 210.227 2.529 10 30 BFEERN CCCN[C@@H](C#N)c1cc(C)sc1C ZINC000049687502 169273174 /nfs/dbraw/zinc/27/31/74/169273174.db2.gz IABAWXBCEWCGRG-NSHDSACASA-N 0 0 208.330 2.929 10 30 BFEERN CCCN[C@H](C#N)c1cccc(Cl)c1 ZINC000020173873 169283653 /nfs/dbraw/zinc/28/36/53/169283653.db2.gz SDAAFHARIYBYCC-LLVKDONJSA-N 0 0 208.692 2.904 10 30 BFEERN CCCOc1ccc(/C(C)=N/O)cc1OC ZINC000019511569 169316490 /nfs/dbraw/zinc/31/64/90/169316490.db2.gz RYPDAFBXBDMYRJ-UKTHLTGXSA-N 0 0 223.272 2.682 10 30 BFEERN N#CCc1cc(C(F)(F)F)cc(C#N)c1F ZINC000575647665 383822382 /nfs/dbraw/zinc/82/23/82/383822382.db2.gz LXBIBUAXVUTHKM-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN Cc1cscc1NCc1nc(C#N)cs1 ZINC000334508562 383913464 /nfs/dbraw/zinc/91/34/64/383913464.db2.gz QPPVLRTXJMHXQN-UHFFFAOYSA-N 0 0 235.337 2.997 10 30 BFEERN CC[C@@H](NCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000036721146 383906375 /nfs/dbraw/zinc/90/63/75/383906375.db2.gz UOIAPUCBSYHDQQ-GFCCVEGCSA-N 0 0 233.271 2.549 10 30 BFEERN CCc1ccc(C#N)c(CC)c1[N+](=O)[O-] ZINC000575652401 384097388 /nfs/dbraw/zinc/09/73/88/384097388.db2.gz QTVFZYDWWYMQPB-UHFFFAOYSA-N 0 0 204.229 2.591 10 30 BFEERN O=C1c2ccccc2O[C@@H](c2ccccc2)N1O ZINC000005139013 384101232 /nfs/dbraw/zinc/10/12/32/384101232.db2.gz REYPFGVUOUTVNT-AWEZNQCLSA-N 0 0 241.246 2.609 10 30 BFEERN Cc1ccc(S(=O)(=O)N=C2CCCC2)cc1 ZINC000039121772 384106041 /nfs/dbraw/zinc/10/60/41/384106041.db2.gz HUGZBNANLQKIKC-UHFFFAOYSA-N 0 0 237.324 2.699 10 30 BFEERN O=C1O/C(=N\c2ccccc2)c2ccccc21 ZINC000017157309 384119463 /nfs/dbraw/zinc/11/94/63/384119463.db2.gz KXKGLFXLEGRDNJ-SQFISAMPSA-N 0 0 223.231 2.935 10 30 BFEERN C=C=CC(=O)c1cccc(Br)c1F ZINC000236218509 384260782 /nfs/dbraw/zinc/26/07/82/384260782.db2.gz GNSQSTSVPMIHOX-UHFFFAOYSA-N 0 0 241.059 2.794 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1ccnc(C#N)c1 ZINC000233435582 384344791 /nfs/dbraw/zinc/34/47/91/384344791.db2.gz XFIPZXBSPBIORO-JOYOIKCWSA-N 0 0 201.273 2.554 10 30 BFEERN Fc1cccc(C[C@@H]2COCC[C@@H]2S)c1 ZINC000095077103 384353562 /nfs/dbraw/zinc/35/35/62/384353562.db2.gz VRSLPLZYMKLYDD-PWSUYJOCSA-N 0 0 226.316 2.703 10 30 BFEERN CO[C@@]1(C(F)(F)F)C=CC=C[C@@H]1CC#N ZINC000095080785 384357857 /nfs/dbraw/zinc/35/78/57/384357857.db2.gz JXQZTVJRBSOUNR-BDAKNGLRSA-N 0 0 217.190 2.590 10 30 BFEERN Cc1ccc(C[C@@H]2COCC[C@@H]2S)cc1 ZINC000095089994 384359746 /nfs/dbraw/zinc/35/97/46/384359746.db2.gz PMYNMMOZKGBCHA-OLZOCXBDSA-N 0 0 222.353 2.872 10 30 BFEERN Cc1ccc([C@@H](C)NC(=O)C2(C#N)CCCC2)o1 ZINC000044293383 384324139 /nfs/dbraw/zinc/32/41/39/384324139.db2.gz PFWWFTLZKHEOGV-LLVKDONJSA-N 0 0 246.310 2.849 10 30 BFEERN Cc1cc(NCc2ccccn2)c(C#N)c(C)n1 ZINC000157378153 384383400 /nfs/dbraw/zinc/38/34/00/384383400.db2.gz LMTOCIHRVUMABF-UHFFFAOYSA-N 0 0 238.294 2.577 10 30 BFEERN Cc1cc([N+](=O)[O-])cc(CC#N)c1OC(F)F ZINC000575668373 384447208 /nfs/dbraw/zinc/44/72/08/384447208.db2.gz VOLFWNUVEKBJNL-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN O=CCOc1ccc(-c2ccccc2)cc1 ZINC000011584329 384475502 /nfs/dbraw/zinc/47/55/02/384475502.db2.gz SODCDNXKFNVVEM-UHFFFAOYSA-N 0 0 212.248 2.931 10 30 BFEERN CCc1ccc(CNc2nccnc2C#N)cc1 ZINC000227742463 384508925 /nfs/dbraw/zinc/50/89/25/384508925.db2.gz ROPZPOJOHACVSB-UHFFFAOYSA-N 0 0 238.294 2.523 10 30 BFEERN CCOc1c(OC)cc(C#N)cc1C(F)(F)F ZINC000260991671 384546761 /nfs/dbraw/zinc/54/67/61/384546761.db2.gz UDGGDXJDMDPRIH-UHFFFAOYSA-N 0 0 245.200 2.984 10 30 BFEERN CCCC(=CC(=O)OC)NCc1ccccc1 ZINC000100409497 384639802 /nfs/dbraw/zinc/63/98/02/384639802.db2.gz OAUJKDGMJGXEHN-SQFISAMPSA-N 0 0 233.311 2.991 10 30 BFEERN COc1c(F)ccc(CC#N)c1C(F)(F)F ZINC000575708585 384816079 /nfs/dbraw/zinc/81/60/79/384816079.db2.gz SDBDYNJLVUPIAK-UHFFFAOYSA-N 0 0 233.164 2.919 10 30 BFEERN N#CCc1ccc(F)c(C(F)(F)F)c1[N+](=O)[O-] ZINC000575710050 384829618 /nfs/dbraw/zinc/82/96/18/384829618.db2.gz FSXOVLXRBRPBID-UHFFFAOYSA-N 0 0 248.135 2.819 10 30 BFEERN N#CCc1ccc(N)c(Cl)c1OC(F)F ZINC000575714906 384864593 /nfs/dbraw/zinc/86/45/93/384864593.db2.gz PPGQFZVAQSJPDE-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN C[C@H]1CN(c2ccc(F)cc2C#N)CCS1 ZINC000135488218 384904975 /nfs/dbraw/zinc/90/49/75/384904975.db2.gz UXGVSOHHNTXVSW-VIFPVBQESA-N 0 0 236.315 2.639 10 30 BFEERN CC[C@](C)(CCC(C)C)C(=O)OC[C@@H]1CO1 ZINC000032229267 385137094 /nfs/dbraw/zinc/13/70/94/385137094.db2.gz DHEHEJGXTUCSQF-WCQYABFASA-N 0 0 228.332 2.781 10 30 BFEERN CC(C)Oc1ccc([C@H]2C[C@@H]2C=O)cc1 ZINC000575602051 385263343 /nfs/dbraw/zinc/26/33/43/385263343.db2.gz KDFLFPRDNVWNHC-DGCLKSJQSA-N 0 0 204.269 2.776 10 30 BFEERN O=CCCc1ccc(F)c(Br)c1 ZINC000034285066 385276243 /nfs/dbraw/zinc/27/62/43/385276243.db2.gz KAMCZLXCSXPCDM-UHFFFAOYSA-N 0 0 231.064 2.720 10 30 BFEERN COc1c(C#N)cnc2ccc(Cl)cc21 ZINC000015828644 385351162 /nfs/dbraw/zinc/35/11/62/385351162.db2.gz FFYBTJDYTHQOOD-UHFFFAOYSA-N 0 0 218.643 2.768 10 30 BFEERN C[C@@H](C#N)N1Cc2ccccc2C(C)(C)C1 ZINC000273253596 385351213 /nfs/dbraw/zinc/35/12/13/385351213.db2.gz YPQUPOWSLAMCFQ-NSHDSACASA-N 0 0 214.312 2.692 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1nc(C)ccc1C#N ZINC000161641126 385399202 /nfs/dbraw/zinc/39/92/02/385399202.db2.gz FZWCEBJDLRPYNI-PWSUYJOCSA-N 0 0 215.300 2.862 10 30 BFEERN CN[C@H](C#N)c1csc2ccccc12 ZINC000054464660 385590806 /nfs/dbraw/zinc/59/08/06/385590806.db2.gz OUMKZELTDRAVPO-SNVBAGLBSA-N 0 0 202.282 2.685 10 30 BFEERN C#CC(=O)c1ccc(F)c(F)c1Br ZINC000231867614 385829150 /nfs/dbraw/zinc/82/91/50/385829150.db2.gz CYGQSZFZSBYQOJ-UHFFFAOYSA-N 0 0 245.022 2.543 10 30 BFEERN CCOCc1ccc(Br)cc1C#N ZINC000260897572 385795953 /nfs/dbraw/zinc/79/59/53/385795953.db2.gz HNWCTXVIKZLERX-UHFFFAOYSA-N 0 0 240.100 2.857 10 30 BFEERN [O-]/[N+](=C/c1cccs1)c1ccccc1 ZINC000642691160 386022447 /nfs/dbraw/zinc/02/24/47/386022447.db2.gz OXBQTGJRIFXVNG-FMIVXFBMSA-N 0 0 204.274 2.900 10 30 BFEERN O=C(/C=C/Cl)c1ncccc1Cl ZINC000575571122 386143899 /nfs/dbraw/zinc/14/38/99/386143899.db2.gz LMGZVVORNCBBDV-ONEGZZNKSA-N 0 0 202.040 2.670 10 30 BFEERN C=CC1CCN(C(=O)[C@@H]2CCC[C@@H]2C)CC1 ZINC000335443796 386506897 /nfs/dbraw/zinc/50/68/97/386506897.db2.gz BVABCBAKKJWXNT-WCQYABFASA-N 0 0 221.344 2.847 10 30 BFEERN CCc1cc(C#N)c(CC#N)cc1OC(F)F ZINC000575641655 386576587 /nfs/dbraw/zinc/57/65/87/386576587.db2.gz WYWVLZJECLCEIO-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN CCc1onc(C)c1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000328881627 386641935 /nfs/dbraw/zinc/64/19/35/386641935.db2.gz LHZJIGMIQYOHIE-VHSXEESVSA-N 0 0 249.314 2.575 10 30 BFEERN COC(=O)c1cc(C#N)c(F)cc1C(F)(F)F ZINC000575344885 386711475 /nfs/dbraw/zinc/71/14/75/386711475.db2.gz GBZKKBRAIYAGCR-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN CCOC(=O)c1cc(C)c(C#N)cc1C(F)F ZINC000575343586 386690550 /nfs/dbraw/zinc/69/05/50/386690550.db2.gz LUYGCDDSBLHKKM-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)Cc1ccc(C#N)c(C)c1C(F)F ZINC000575344237 386690908 /nfs/dbraw/zinc/69/09/08/386690908.db2.gz XJLUNGPMZIUBLZ-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN CCOC(=O)c1ccc(C)c(C#N)c1C(F)F ZINC000575343556 386691463 /nfs/dbraw/zinc/69/14/63/386691463.db2.gz IFPDCOIPOWGODS-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN CC(C)(CO)S[C@@H]1CCCC[C@@H]1C#N ZINC000307570667 386732382 /nfs/dbraw/zinc/73/23/82/386732382.db2.gz DPRNAIYOXNZQCP-NXEZZACHSA-N 0 0 213.346 2.573 10 30 BFEERN CCO/C=C(/C)C(=O)C(Cl)(Cl)Cl ZINC000113872751 134514296 /nfs/dbraw/zinc/51/42/96/134514296.db2.gz BGHXUMZQYBZECU-PLNGDYQASA-N 0 0 231.506 2.866 10 30 BFEERN CCOC(=O)c1cc(CC)c(CC)cc1C#N ZINC000575385631 386945614 /nfs/dbraw/zinc/94/56/14/386945614.db2.gz XCWWHJRSQIEUAU-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)Cc1ccc(CC)c(C#N)c1CC ZINC000575385422 386945679 /nfs/dbraw/zinc/94/56/79/386945679.db2.gz PNVVDUCZGAUXKK-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)c1cc(CC)c(C#N)cc1CC ZINC000575385590 386945869 /nfs/dbraw/zinc/94/58/69/386945869.db2.gz MRECLZANUZGMRP-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)c1cc(C#N)c(C(F)F)cc1F ZINC000575389350 386952963 /nfs/dbraw/zinc/95/29/63/386952963.db2.gz BBLWDWRDUGWHFP-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)Cc1c(C)c(C#N)ccc1CC ZINC000575388896 386953165 /nfs/dbraw/zinc/95/31/65/386953165.db2.gz IVWLRWREYOYUBI-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1cc(C(=O)OC)c(C#N)cc1C(F)F ZINC000575389935 386954575 /nfs/dbraw/zinc/95/45/75/386954575.db2.gz VDGCKDRAFHQEIO-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)c1c(F)c(C#N)ccc1C(F)F ZINC000575390004 386955324 /nfs/dbraw/zinc/95/53/24/386955324.db2.gz ZPXPCFPBNRLCLO-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)Cc1cc(C#N)cc(CC)c1[S-] ZINC000575387987 386958729 /nfs/dbraw/zinc/95/87/29/386958729.db2.gz HGSQPHAOIMXPIG-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN COC(=O)c1cc(C)cc(C#N)c1C(F)(F)F ZINC000575394287 386991606 /nfs/dbraw/zinc/99/16/06/386991606.db2.gz ARXNKJJAUCOKST-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1cc(C)c(C#N)c(C(F)(F)F)c1 ZINC000575395224 386996249 /nfs/dbraw/zinc/99/62/49/386996249.db2.gz SVRXEGKMDNLWHW-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1cc(C(F)(F)F)cc(C)c1C#N ZINC000575395309 386996822 /nfs/dbraw/zinc/99/68/22/386996822.db2.gz XLVWITMJVKPWAT-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN CN(C)c1cccc(CC#N)c1OC(F)(F)F ZINC000575397019 386998800 /nfs/dbraw/zinc/99/88/00/386998800.db2.gz SPFCXOTUTBSVOH-UHFFFAOYSA-N 0 0 244.216 2.717 10 30 BFEERN CN(C)c1ccc(OC(F)(F)F)c(CC#N)c1 ZINC000575396977 387002770 /nfs/dbraw/zinc/00/27/70/387002770.db2.gz JJJJWIJWZDKJBP-UHFFFAOYSA-N 0 0 244.216 2.717 10 30 BFEERN COC(=O)c1ccc(F)c(C#N)c1C(F)(F)F ZINC000575390399 386951601 /nfs/dbraw/zinc/95/16/01/386951601.db2.gz IUTYBEUNXNPYQN-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN CCNc1ccc(Br)c(C#N)c1 ZINC000575459595 387035612 /nfs/dbraw/zinc/03/56/12/387035612.db2.gz KWEGCNMAHSXDDX-UHFFFAOYSA-N 0 0 225.089 2.753 10 30 BFEERN CCc1c(CC#N)cc(OC)cc1OC(F)F ZINC000575656026 387038440 /nfs/dbraw/zinc/03/84/40/387038440.db2.gz DKXHTQOYCVGSNW-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1cc(F)cc(CC#N)c1OC(F)F ZINC000575655345 387039923 /nfs/dbraw/zinc/03/99/23/387039923.db2.gz CKRBFESSVGHYBA-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCOc1cc(F)c(OC(F)F)cc1CC#N ZINC000575656785 387042747 /nfs/dbraw/zinc/04/27/47/387042747.db2.gz NJMQVUOGWXRGSL-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCOc1cc(CC#N)c(F)cc1OC(F)F ZINC000575657410 387045192 /nfs/dbraw/zinc/04/51/92/387045192.db2.gz USFXMISEVSMSQL-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN COc1ccc(CC#N)c(OC(F)F)c1F ZINC000575659525 387047748 /nfs/dbraw/zinc/04/77/48/387047748.db2.gz FSAGPMRLSRKPGJ-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN CCOc1cc(OC(F)F)c(C)cc1C#N ZINC000575658881 387048223 /nfs/dbraw/zinc/04/82/23/387048223.db2.gz WQVWYPKRKSMIKR-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN COc1cc(OC(F)F)cc(F)c1CC#N ZINC000575659609 387052441 /nfs/dbraw/zinc/05/24/41/387052441.db2.gz HFNTWYZYUPQXNI-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN CCc1ccc(OC(F)F)c([N+](=O)[O-])c1C#N ZINC000575659620 387053111 /nfs/dbraw/zinc/05/31/11/387053111.db2.gz NYFWOHFREBNFSV-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN C[C@H]1CSC(Nc2ccc(F)cc2)=N1 ZINC000035294939 387070142 /nfs/dbraw/zinc/07/01/42/387070142.db2.gz LTEXBCSUMNGGNR-ZETCQYMHSA-N 0 0 210.277 2.538 10 30 BFEERN C#CCNc1cc(Cl)cc(F)c1F ZINC000306329874 387071892 /nfs/dbraw/zinc/07/18/92/387071892.db2.gz AAGWWULDHDHEMX-UHFFFAOYSA-N 0 0 201.603 2.663 10 30 BFEERN Cc1cccc([C@]2(C#N)CCCOC2)c1 ZINC000536950951 387164022 /nfs/dbraw/zinc/16/40/22/387164022.db2.gz XEOAPWWEPXIDQP-ZDUSSCGKSA-N 0 0 201.269 2.567 10 30 BFEERN C#CCNc1c(C)cccc1Br ZINC000575482125 387181328 /nfs/dbraw/zinc/18/13/28/387181328.db2.gz VVTQXFMWCIIUEV-UHFFFAOYSA-N 0 0 224.101 2.803 10 30 BFEERN Cc1cccc(C)c1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000230227480 387250008 /nfs/dbraw/zinc/25/00/08/387250008.db2.gz QVJJYNDOWBKKQD-QWHCGFSZSA-N 0 0 242.322 2.726 10 30 BFEERN Cc1cccc(C)c1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000230227469 387250649 /nfs/dbraw/zinc/25/06/49/387250649.db2.gz QVJJYNDOWBKKQD-CHWSQXEVSA-N 0 0 242.322 2.726 10 30 BFEERN C[C@@H]1CCC[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495747 387311486 /nfs/dbraw/zinc/31/14/86/387311486.db2.gz AJWAFJFIKMFYOV-SKDRFNHKSA-N 0 0 224.304 2.593 10 30 BFEERN C[C@H]1CCC[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495746 387311603 /nfs/dbraw/zinc/31/16/03/387311603.db2.gz AJWAFJFIKMFYOV-JOYOIKCWSA-N 0 0 224.304 2.593 10 30 BFEERN COc1ccc(CC#N)c(C)c1OC(F)F ZINC000575664882 387312179 /nfs/dbraw/zinc/31/21/79/387312179.db2.gz LUKIOJUYISSDTI-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN Cc1cc([N+](=O)[O-])cc(OC(F)F)c1CC#N ZINC000575665245 387313728 /nfs/dbraw/zinc/31/37/28/387313728.db2.gz CIVQLFSEPYSNRK-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN Cc1cc(CC#N)cc([N+](=O)[O-])c1OC(F)F ZINC000575666309 387316900 /nfs/dbraw/zinc/31/69/00/387316900.db2.gz IBYJEWOVAGCAIA-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN COc1cc(CC#N)cc(C)c1OC(F)F ZINC000575664482 387291485 /nfs/dbraw/zinc/29/14/85/387291485.db2.gz GRBCAMLXVHEZHL-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN N#Cc1ccn(C[C@H]2C[C@H]2c2ccccc2)n1 ZINC000575601462 387359043 /nfs/dbraw/zinc/35/90/43/387359043.db2.gz AZHXKARKWMZQKQ-OCCSQVGLSA-N 0 0 223.279 2.558 10 30 BFEERN CSc1ccc([C@@H]2C[C@@H]2/C=N/O)cc1 ZINC000575602939 387366774 /nfs/dbraw/zinc/36/67/74/387366774.db2.gz WMAMDKRSDIIIMH-MINMQVLGSA-N 0 0 207.298 2.972 10 30 BFEERN CCOc1cc(C(F)F)cc(CC#N)c1O ZINC000575668331 387324957 /nfs/dbraw/zinc/32/49/57/387324957.db2.gz VOWSTJWQBAOFMP-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN N#Cc1c(F)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575670203 387330533 /nfs/dbraw/zinc/33/05/33/387330533.db2.gz XHBBMXGHZDUCGL-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN CCOc1cc(F)cc(OC(F)(F)F)c1C#N ZINC000575669896 387330582 /nfs/dbraw/zinc/33/05/82/387330582.db2.gz AYWMOPFGWVANHM-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN Cc1cc(C(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575671236 387332682 /nfs/dbraw/zinc/33/26/82/387332682.db2.gz GHNXRVPFHSLWNY-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN CCc1c(O)cc(C(F)(F)F)cc1C#N ZINC000575670482 387333870 /nfs/dbraw/zinc/33/38/70/387333870.db2.gz IUYYQRJWOQQPEF-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN CCOc1cc(O)c(C#N)c(C(F)(F)F)c1 ZINC000575671616 387335630 /nfs/dbraw/zinc/33/56/30/387335630.db2.gz ZMXZPHPZTSRGFQ-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN CCOc1ccc(C#N)c(OC(F)(F)F)c1F ZINC000575671332 387336786 /nfs/dbraw/zinc/33/67/86/387336786.db2.gz WMKGLCAVGUOPAJ-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN CCc1cc(O)cc(C(F)(F)F)c1C#N ZINC000575672834 387339836 /nfs/dbraw/zinc/33/98/36/387339836.db2.gz PURVXPQAQGLFQU-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN N#CCc1c(O)ccc(Br)c1Cl ZINC000575674464 387344018 /nfs/dbraw/zinc/34/40/18/387344018.db2.gz AUKMIBOEDHRFLA-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN CC(=O)C=C(C)c1ccc(Br)cn1 ZINC000575500924 387347591 /nfs/dbraw/zinc/34/75/91/387347591.db2.gz WENZVQWZLNSTNH-ALCCZGGFSA-N 0 0 240.100 2.836 10 30 BFEERN CCc1cc(N)c(C(F)(F)F)cc1CC#N ZINC000575718317 387424760 /nfs/dbraw/zinc/42/47/60/387424760.db2.gz IRHHHSNNTXHQLY-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN N#CCc1ccc(N)c(OC(F)F)c1Cl ZINC000575715177 387428384 /nfs/dbraw/zinc/42/83/84/387428384.db2.gz VJHRWQNGXYBPNM-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN N#CCc1cc(Cl)c(Cl)cc1N ZINC000575716050 387430938 /nfs/dbraw/zinc/43/09/38/387430938.db2.gz HJBRXSXDOXHWRJ-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN Cc1c(N)ccc(C(F)(F)F)c1CC#N ZINC000575719923 387439960 /nfs/dbraw/zinc/43/99/60/387439960.db2.gz PAWQLYJNEWNUKR-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN Cc1cc(N)c(CC#N)cc1C(F)(F)F ZINC000575720419 387441367 /nfs/dbraw/zinc/44/13/67/387441367.db2.gz VUCOANGYYDOXHT-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN Cc1c(N)c(CC#N)ccc1C(F)(F)F ZINC000575720142 387441568 /nfs/dbraw/zinc/44/15/68/387441568.db2.gz RMOGNACTEWTWKK-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN Cc1cc(C(F)(F)F)c(N)cc1CC#N ZINC000575720392 387441722 /nfs/dbraw/zinc/44/17/22/387441722.db2.gz VISZGUXEEFVUHR-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN C[C@@H](C#N)Nc1cccc(Br)c1F ZINC000575523514 387458123 /nfs/dbraw/zinc/45/81/23/387458123.db2.gz LYOKYXQGXHIQGH-LURJTMIESA-N 0 0 243.079 2.912 10 30 BFEERN N#CCc1c(Cl)cc(N)cc1OC(F)F ZINC000575714435 387410860 /nfs/dbraw/zinc/41/08/60/387410860.db2.gz IGYZMDARRRRVBG-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN COc1ccc(F)c(SC)c1CC#N ZINC000575708331 387412005 /nfs/dbraw/zinc/41/20/05/387412005.db2.gz NGVZLLOTULDHAT-UHFFFAOYSA-N 0 0 211.261 2.622 10 30 BFEERN N#CCc1c(N)ccc(Cl)c1Br ZINC000575714500 387412302 /nfs/dbraw/zinc/41/23/02/387412302.db2.gz PTNNEFUIJDFWLN-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN COc1c(F)ccc(SC)c1CC#N ZINC000575708778 387413308 /nfs/dbraw/zinc/41/33/08/387413308.db2.gz QCCPKHUENYREQK-UHFFFAOYSA-N 0 0 211.261 2.622 10 30 BFEERN N#CCc1c([N+](=O)[O-])cc(F)cc1C(F)(F)F ZINC000575710045 387413476 /nfs/dbraw/zinc/41/34/76/387413476.db2.gz FOHQJFRGXIMBOO-UHFFFAOYSA-N 0 0 248.135 2.819 10 30 BFEERN N#CCc1c(N)c(OC(F)F)ccc1Cl ZINC000575714544 387415541 /nfs/dbraw/zinc/41/55/41/387415541.db2.gz KYTIHEFMDVDEEP-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN COC(=O)c1c(C#N)cc(Cl)cc1C(F)F ZINC000575712045 387415725 /nfs/dbraw/zinc/41/57/25/387415725.db2.gz DOGPRMMQEMAOET-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN COC(=O)c1c(Cl)ccc(C(F)F)c1C#N ZINC000575712381 387417456 /nfs/dbraw/zinc/41/74/56/387417456.db2.gz HHDZWMDWKQUPTR-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN CC1=CC(=O)C(C)=C(CCC(C)C)C1=O ZINC000584623627 387502983 /nfs/dbraw/zinc/50/29/83/387502983.db2.gz WHJVMBKFFZESFM-UHFFFAOYSA-N 0 0 206.285 2.837 10 30 BFEERN CC=CC(=O)[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000575548135 387643750 /nfs/dbraw/zinc/64/37/50/387643750.db2.gz ARCMAYVDACKHIM-FWWPZPIUSA-N 0 0 216.371 2.757 10 30 BFEERN C=CC(=O)c1c(F)ccc(F)c1Cl ZINC000575567179 387736281 /nfs/dbraw/zinc/73/62/81/387736281.db2.gz JOGHKGGRJBAEBS-UHFFFAOYSA-N 0 0 202.587 2.987 10 30 BFEERN CCOc1cc(C(F)F)cc(CC#N)c1C#N ZINC000575640253 387838354 /nfs/dbraw/zinc/83/83/54/387838354.db2.gz FPLMDQPLFXYURL-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CC1CCCCC1 ZINC000061888786 387848726 /nfs/dbraw/zinc/84/87/26/387848726.db2.gz XEIDCHOAYOKFEX-STQMWFEESA-N 0 0 234.343 2.765 10 30 BFEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1C ZINC000061888850 387848743 /nfs/dbraw/zinc/84/87/43/387848743.db2.gz WGGSHDVCMYWNIL-KBPBESRZSA-N 0 0 242.322 2.726 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)c1 ZINC000061888634 387848876 /nfs/dbraw/zinc/84/88/76/387848876.db2.gz HRCCTXDPPQYUDT-JQWIXIFHSA-N 0 0 248.713 2.762 10 30 BFEERN Cc1ccc(F)cc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000062665690 387855439 /nfs/dbraw/zinc/85/54/39/387855439.db2.gz AYJFTZOCFRNWMT-GXFFZTMASA-N 0 0 246.285 2.556 10 30 BFEERN CCOc1cc(C#N)c(CC#N)cc1CC ZINC000575642738 387865136 /nfs/dbraw/zinc/86/51/36/387865136.db2.gz IDKCFIKGFZWTIV-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)N(C)c1ccc(C#N)cc1 ZINC000230058383 387868113 /nfs/dbraw/zinc/86/81/13/387868113.db2.gz VJZGPZCVOJIEBH-RISCZKNCSA-N 0 0 242.322 2.957 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000230055066 387868588 /nfs/dbraw/zinc/86/85/88/387868588.db2.gz BPCJZVGMHOQBMC-BXUZGUMPSA-N 0 0 242.322 2.611 10 30 BFEERN COc1ccc(C(F)(F)F)c(CC#N)c1C#N ZINC000575650803 387891429 /nfs/dbraw/zinc/89/14/29/387891429.db2.gz ZUQWUAPTGJETOE-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN COc1c(C#N)cc(CC#N)cc1C(F)(F)F ZINC000575649802 387888524 /nfs/dbraw/zinc/88/85/24/387888524.db2.gz UOOWSRLXJZHEPP-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN CCc1ccc([N+](=O)[O-])c(C#N)c1CC ZINC000575652718 387902641 /nfs/dbraw/zinc/90/26/41/387902641.db2.gz WMUMKTNSGIDQRB-UHFFFAOYSA-N 0 0 204.229 2.591 10 30 BFEERN CCOc1c(F)c(C#N)ccc1OC(F)F ZINC000575657852 387952732 /nfs/dbraw/zinc/95/27/32/387952732.db2.gz ZXNKQNFDNNVVFM-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCCc1noc(-c2ccc(C#N)s2)n1 ZINC000226760554 388354277 /nfs/dbraw/zinc/35/42/77/388354277.db2.gz WOKKAUDFDRSNRB-UHFFFAOYSA-N 0 0 219.269 2.622 10 30 BFEERN CSC[C@@H](C)N(C)c1cccc(F)c1C#N ZINC000122464818 388397710 /nfs/dbraw/zinc/39/77/10/388397710.db2.gz RAWOPVICWHUDHI-SECBINFHSA-N 0 0 238.331 2.885 10 30 BFEERN C[C@@H]1OCC[C@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000134381501 388398211 /nfs/dbraw/zinc/39/82/11/388398211.db2.gz XCRYDOYIRDPZSY-QPUJVOFHSA-N 0 0 236.702 2.801 10 30 BFEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)CC1CC1 ZINC000122706112 388421240 /nfs/dbraw/zinc/42/12/40/388421240.db2.gz JIIUAMDZIRVIFX-NSHDSACASA-N 0 0 242.322 2.785 10 30 BFEERN C[C@H](CC1CC1)NC(=O)C1(C#N)CCCCC1 ZINC000070104303 388433174 /nfs/dbraw/zinc/43/31/74/388433174.db2.gz YPQYDLBHSVUFEE-LLVKDONJSA-N 0 0 234.343 2.765 10 30 BFEERN C[C@@H](NCCC#N)c1cc(F)ccc1F ZINC000020199866 388527143 /nfs/dbraw/zinc/52/71/43/388527143.db2.gz YXFTUBOYBDCEPT-MRVPVSSYSA-N 0 0 210.227 2.529 10 30 BFEERN CCOc1ccc(Br)cc1CC#N ZINC000082305442 388587159 /nfs/dbraw/zinc/58/71/59/388587159.db2.gz RCTQYNFDYKFLIE-UHFFFAOYSA-N 0 0 240.100 2.914 10 30 BFEERN CCOC(=O)c1cc(C(F)F)c(F)cc1C#N ZINC000575389963 388569263 /nfs/dbraw/zinc/56/92/63/388569263.db2.gz WXANQNLNCPFAFY-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CC[C@H]1C[C@@H]1Nc1cc(C#N)ccc1C(C)=O ZINC000302133816 388619143 /nfs/dbraw/zinc/61/91/43/388619143.db2.gz ZBHMLWGKPUEQNV-AAEUAGOBSA-N 0 0 228.295 2.971 10 30 BFEERN CC[C@H]1C[C@@H]1Nc1cc(C(C)=O)ccc1C#N ZINC000302085029 388619650 /nfs/dbraw/zinc/61/96/50/388619650.db2.gz DNAAAKUFKPZVJW-GWCFXTLKSA-N 0 0 228.295 2.971 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000230042422 388632679 /nfs/dbraw/zinc/63/26/79/388632679.db2.gz GODFIBCCHGLBEL-ZWNOBZJWSA-N 0 0 228.295 2.933 10 30 BFEERN N#Cc1cnccc1N1C[C@@H]2CCCCC[C@@H]21 ZINC000373449143 388709408 /nfs/dbraw/zinc/70/94/08/388709408.db2.gz POPJRZSZOPPEMS-AAEUAGOBSA-N 0 0 227.311 2.722 10 30 BFEERN CC1CC(C(=O)N(C)c2ccc(C#N)cc2)C1 ZINC000533052616 388723476 /nfs/dbraw/zinc/72/34/76/388723476.db2.gz JTAOFXFIXWBBDQ-UHFFFAOYSA-N 0 0 228.295 2.567 10 30 BFEERN COC(=O)c1cc(C#N)cc(F)c1C(F)(F)F ZINC000575344844 388841518 /nfs/dbraw/zinc/84/15/18/388841518.db2.gz AWKHYPFSSZYARO-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN CC(=O)/C=C/c1ccc(C(=O)C(F)F)cc1 ZINC000005377934 322814711 /nfs/dbraw/zinc/81/47/11/322814711.db2.gz XDHVYLAGSMHGMR-NSCUHMNNSA-N 0 0 224.206 2.737 10 30 BFEERN C[C@@H](NC(=O)CC#N)c1ccc2ccccc2c1 ZINC000153483092 388979326 /nfs/dbraw/zinc/97/93/26/388979326.db2.gz HPQVMMIDFFRHFT-LLVKDONJSA-N 0 0 238.290 2.931 10 30 BFEERN CC(C)N1C(=O)CS/C1=N\c1ccccc1 ZINC000011549121 322818895 /nfs/dbraw/zinc/81/88/95/322818895.db2.gz KZJGMQVAFPGESN-SEYXRHQNSA-N 0 0 234.324 2.658 10 30 BFEERN CC[C@H]1CCCN(c2ccc(C#N)cc2N)C1 ZINC000036168965 132340267 /nfs/dbraw/zinc/34/02/67/132340267.db2.gz JMDMIZMHGJWHGW-NSHDSACASA-N 0 0 229.327 2.767 10 30 BFEERN Cc1ccc2c(c1)CCCN2[C@@H](C)C#N ZINC000047874166 132355214 /nfs/dbraw/zinc/35/52/14/132355214.db2.gz HBGNLQKBIRMNAJ-NSHDSACASA-N 0 0 200.285 2.660 10 30 BFEERN C[C@@H]1CCCN(c2ccc(C#N)cc2N)[C@@H]1C ZINC000050564118 132359117 /nfs/dbraw/zinc/35/91/17/132359117.db2.gz FQGLIMPATZOPRH-GHMZBOCLSA-N 0 0 229.327 2.765 10 30 BFEERN N#Cc1c(Cl)cccc1N1CCCC[C@H]1C=O ZINC000054268112 132363862 /nfs/dbraw/zinc/36/38/62/132363862.db2.gz KCWVPEVCLQNYQU-JTQLQIEISA-N 0 0 248.713 2.769 10 30 BFEERN CCC(C)(C)CC(=O)N[C@H]1CCC[C@H]1C#N ZINC000408331344 133471053 /nfs/dbraw/zinc/47/10/53/133471053.db2.gz QXMOFPMDQJTSSR-QWRGUYRKSA-N 0 0 222.332 2.621 10 30 BFEERN CCC1CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000334646356 133722836 /nfs/dbraw/zinc/72/28/36/133722836.db2.gz PDKVQTCEQAUZOO-QWHCGFSZSA-N 0 0 249.358 2.510 10 30 BFEERN C[C@H](CC(=O)NCC(C)(C)C#N)C(C)(C)C ZINC000167167914 133966390 /nfs/dbraw/zinc/96/63/90/133966390.db2.gz VDDJPBVTFRAILA-SNVBAGLBSA-N 0 0 224.348 2.725 10 30 BFEERN Cc1noc(C)c1NC(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330283855 133999510 /nfs/dbraw/zinc/99/95/10/133999510.db2.gz WRCQWTPUWRQHMY-MNOVXSKESA-N 0 0 249.314 2.711 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)NC1CCCCCC1 ZINC000336620913 134151972 /nfs/dbraw/zinc/15/19/72/134151972.db2.gz UKVUITTWOHKVSM-YPMHNXCESA-N 0 0 249.358 2.701 10 30 BFEERN C=C(C)CN(C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000180623513 134330590 /nfs/dbraw/zinc/33/05/90/134330590.db2.gz YQROZVQCADOZLW-LLVKDONJSA-N 0 0 236.315 2.867 10 30 BFEERN Cc1ccc([C@@H](C)[NH2+]CCCSCC#N)o1 ZINC000182563715 134345996 /nfs/dbraw/zinc/34/59/96/134345996.db2.gz IYOUGWIMBOAWJV-LLVKDONJSA-N 0 0 238.356 2.886 10 30 BFEERN Cc1nc(C)c(CN[C@H]2CCC[C@H]2C#N)s1 ZINC000084148983 135187262 /nfs/dbraw/zinc/18/72/62/135187262.db2.gz ABTHVQZPAPKCMM-QWRGUYRKSA-N 0 0 235.356 2.542 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1csc(C2CC2)n1 ZINC000342785755 135318409 /nfs/dbraw/zinc/31/84/09/135318409.db2.gz SLCFTQYGPDWZRB-ZYHUDNBSSA-N 0 0 247.367 2.802 10 30 BFEERN C[C@@H]1C[C@@H]1NC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328652069 135463118 /nfs/dbraw/zinc/46/31/18/135463118.db2.gz JWGAXISNKWSKAL-UTLUCORTSA-N 0 0 224.304 2.641 10 30 BFEERN CCC[C@@H](CC)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233289539 135687399 /nfs/dbraw/zinc/68/73/99/135687399.db2.gz XVTWOCFQGOEBRY-SECBINFHSA-N 0 0 248.286 2.852 10 30 BFEERN N#Cc1c(F)cccc1N1C[C@@H]2CCC[C@@H]21 ZINC000334582231 135757056 /nfs/dbraw/zinc/75/70/56/135757056.db2.gz DOPSLYDJISLMGO-CABZTGNLSA-N 0 0 216.259 2.686 10 30 BFEERN N#CCc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000335335405 136055576 /nfs/dbraw/zinc/05/55/76/136055576.db2.gz XLXQEIFJSZOLLJ-HUUCEWRRSA-N 0 0 226.323 2.737 10 30 BFEERN Cc1ccc([C@@H](C)NC(=O)c2ccc(C#N)o2)o1 ZINC000336794515 397951328 /nfs/dbraw/zinc/95/13/28/397951328.db2.gz CNEJNIDLXFCRNE-SECBINFHSA-N 0 0 244.250 2.544 10 30 BFEERN CCOc1cc(O)c(CC#N)c(C(F)F)c1 ZINC000575665900 398044589 /nfs/dbraw/zinc/04/45/89/398044589.db2.gz IQBMDSSHTWQWFH-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN CCN(CC)OC(=O)c1ccc(Cl)cc1 ZINC000584646608 398086476 /nfs/dbraw/zinc/08/64/76/398086476.db2.gz VDNJFIAROYOZHM-UHFFFAOYSA-N 0 0 227.691 2.754 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1F ZINC000061889334 398107590 /nfs/dbraw/zinc/10/75/90/398107590.db2.gz UDJYISUGDXJZMV-ONGXEEELSA-N 0 0 247.273 2.639 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1c(F)cccc1F ZINC000061891084 398108066 /nfs/dbraw/zinc/10/80/66/398108066.db2.gz STDOXWUPIPTMGJ-RNCFNFMXSA-N 0 0 236.265 2.747 10 30 BFEERN Cc1cccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000061889341 398108114 /nfs/dbraw/zinc/10/81/14/398108114.db2.gz QLFSZDIFLRIMCL-WCQYABFASA-N 0 0 243.310 2.809 10 30 BFEERN Cc1ccc(NC(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000061889410 398108167 /nfs/dbraw/zinc/10/81/67/398108167.db2.gz QHWPQZKTFZTMKP-AAEUAGOBSA-N 0 0 243.310 2.809 10 30 BFEERN N#CCc1cc(Br)cc(Cl)c1[O-] ZINC000260980054 398116404 /nfs/dbraw/zinc/11/64/04/398116404.db2.gz VVMSVAYCFSKMNM-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN CC[C@H](C)Cn1c(C)c(C)c(C#N)c1N ZINC000054490322 171300883 /nfs/dbraw/zinc/30/08/83/171300883.db2.gz GAKFGORSVSVVEQ-QMMMGPOBSA-N 0 0 205.305 2.605 10 30 BFEERN CC(=O)/C=C\c1ccc(OC(F)F)cc1 ZINC000033674140 322900380 /nfs/dbraw/zinc/90/03/80/322900380.db2.gz FLUINOGRSGZGGH-IHWYPQMZSA-N 0 0 212.195 2.890 10 30 BFEERN CC(C)Oc1ccc(C#N)c(OC2CC2)c1 ZINC000095723914 167290635 /nfs/dbraw/zinc/29/06/35/167290635.db2.gz KNUCZOVWGYWECE-UHFFFAOYSA-N 0 0 217.268 2.887 10 30 BFEERN C#CCCC(=O)Nc1ccccc1Cl ZINC000075421212 166118666 /nfs/dbraw/zinc/11/86/66/166118666.db2.gz WQCMGACKZDPKIX-UHFFFAOYSA-N 0 0 207.660 2.692 10 30 BFEERN C#CCCCCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000179748964 166122641 /nfs/dbraw/zinc/12/26/41/166122641.db2.gz SOALYHOTIAEMBD-GFCCVEGCSA-N 0 0 233.311 2.959 10 30 BFEERN C=CCN(C(=O)c1ccc(N)cc1)C1CCCC1 ZINC000037817638 166312016 /nfs/dbraw/zinc/31/20/16/166312016.db2.gz UEXCQGBPEZHBEI-UHFFFAOYSA-N 0 0 244.338 2.840 10 30 BFEERN C=CCN(CC=C)c1ccccc1C=O ZINC000020078879 166339774 /nfs/dbraw/zinc/33/97/74/166339774.db2.gz PTKMXOCBIJGSSC-UHFFFAOYSA-N 0 0 201.269 2.678 10 30 BFEERN C=CCN1c2ccccc2N=C(C)CC1=O ZINC000100898150 166350894 /nfs/dbraw/zinc/35/08/94/166350894.db2.gz XVONXQKPKQWCKP-UHFFFAOYSA-N 0 0 214.268 2.702 10 30 BFEERN C=CCN1CCC[C@H]1c1csc(C)n1 ZINC000189755697 166357008 /nfs/dbraw/zinc/35/70/08/166357008.db2.gz RLVAFOVHCTYOET-NSHDSACASA-N 0 0 208.330 2.774 10 30 BFEERN C=CCNC(=O)[C@@H](C)Nc1ccccc1CCC ZINC000049556479 166384923 /nfs/dbraw/zinc/38/49/23/166384923.db2.gz BEFCKCDNHXUNQU-GFCCVEGCSA-N 0 0 246.354 2.742 10 30 BFEERN C=CCNC(=O)c1ccc(N[C@@H](C)C2CC2)cc1 ZINC000037783494 166394197 /nfs/dbraw/zinc/39/41/97/166394197.db2.gz UNENBXFRRRTJKV-NSHDSACASA-N 0 0 244.338 2.813 10 30 BFEERN C=CCNCC(=O)c1ccc(Cl)c(Cl)c1 ZINC000041612992 166398500 /nfs/dbraw/zinc/39/85/00/166398500.db2.gz KFLZPDFKZANFSC-UHFFFAOYSA-N 0 0 244.121 2.952 10 30 BFEERN C#CC(=O)c1cc(Cl)ccc1Br ZINC000236055092 410568897 /nfs/dbraw/zinc/56/88/97/410568897.db2.gz IVAHKRIEXPKOLA-UHFFFAOYSA-N 0 0 243.487 2.918 10 30 BFEERN C=CCOc1ccc(CN(C)C(=O)C(C)C)cc1 ZINC000049939347 166423991 /nfs/dbraw/zinc/42/39/91/166423991.db2.gz DTHVSRBXLBDXBE-UHFFFAOYSA-N 0 0 247.338 2.866 10 30 BFEERN CC(=O)c1ccc(N(C)C[C@@H](C)C#N)c(F)c1 ZINC000042455541 166461583 /nfs/dbraw/zinc/46/15/83/166461583.db2.gz VZFHQSMRFBKJLE-VIFPVBQESA-N 0 0 234.274 2.624 10 30 BFEERN CC(C)CC(=O)[C@H](C#N)c1ccccc1 ZINC000036930351 166774858 /nfs/dbraw/zinc/77/48/58/166774858.db2.gz ISXHNMCDHOJDAR-GFCCVEGCSA-N 0 0 201.269 2.909 10 30 BFEERN CC(C)CN[C@H](C#N)c1ccc(N(C)C)cc1 ZINC000020174601 167013040 /nfs/dbraw/zinc/01/30/40/167013040.db2.gz DNXDPFUFZQWFOU-CQSZACIVSA-N 0 0 231.343 2.563 10 30 BFEERN CC(C)CN[C@H](C#N)c1ccccc1F ZINC000019988438 167013627 /nfs/dbraw/zinc/01/36/27/167013627.db2.gz JSYDAAXLRBUGFP-GFCCVEGCSA-N 0 0 206.264 2.636 10 30 BFEERN CC(C)CN[C@H](C#N)c1c(F)cccc1F ZINC000037939111 167013893 /nfs/dbraw/zinc/01/38/93/167013893.db2.gz AHIHDYAIUKBQPV-LLVKDONJSA-N 0 0 224.254 2.775 10 30 BFEERN CC(C)N[C@]1(C#N)CCSc2ccccc21 ZINC000034973854 167142728 /nfs/dbraw/zinc/14/27/28/167142728.db2.gz ZIUAYZYSJBDVLL-ZDUSSCGKSA-N 0 0 232.352 2.899 10 30 BFEERN CC(C)Nc1ccccc1C(=O)N[C@@H](C)CC#N ZINC000062820342 167148011 /nfs/dbraw/zinc/14/80/11/167148011.db2.gz DDDDDMBSQVSQST-NSHDSACASA-N 0 0 245.326 2.539 10 30 BFEERN CC(C)Oc1ccc([C@@H](C#N)NC2CC2)cc1 ZINC000020176518 167298421 /nfs/dbraw/zinc/29/84/21/167298421.db2.gz DRAYVDDEEWPYGS-CQSZACIVSA-N 0 0 230.311 2.790 10 30 BFEERN CC(C)Oc1cccc([C@@H](C#N)N(C)C)c1 ZINC000019934945 167308305 /nfs/dbraw/zinc/30/83/05/167308305.db2.gz QRCMBWOPDNRCIW-CYBMUJFWSA-N 0 0 218.300 2.600 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)Nc1ccc(F)cc1 ZINC000044810972 167341004 /nfs/dbraw/zinc/34/10/04/167341004.db2.gz XIPOGYLYHQIXAX-LLVKDONJSA-N 0 0 220.247 2.560 10 30 BFEERN CC(C)[C@@H](C)Nc1ccc(N)cc1C#N ZINC000041020433 167385788 /nfs/dbraw/zinc/38/57/88/167385788.db2.gz CGEFVNVSOOVETM-SECBINFHSA-N 0 0 203.289 2.597 10 30 BFEERN C(=N/c1cccnc1)\c1ccc2c(c1)OCO2 ZINC000164251619 411188515 /nfs/dbraw/zinc/18/85/15/411188515.db2.gz ARKZIZLTTPGPMN-VIZOYTHASA-N 0 0 226.235 2.561 10 30 BFEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000656766773 411346855 /nfs/dbraw/zinc/34/68/55/411346855.db2.gz PTVHNAPMPFEPPB-NSHDSACASA-N 0 0 239.359 2.774 10 30 BFEERN CC1=C(OCC(C)C)[C@@H](C)SC1=O ZINC000039090716 168088395 /nfs/dbraw/zinc/08/83/95/168088395.db2.gz NAAGPNWGTSCJIC-MRVPVSSYSA-N 0 0 200.303 2.595 10 30 BFEERN CC1=CC(=O)C(=O)c2c1ccc1c2CCCC1 ZINC000096347139 168090987 /nfs/dbraw/zinc/09/09/87/168090987.db2.gz HLVLHKHCAQKXEK-UHFFFAOYSA-N 0 0 226.275 2.734 10 30 BFEERN CC1=CC(=O)c2[nH]c3ccc(F)cc3c2C1=O ZINC000034375537 168092362 /nfs/dbraw/zinc/09/23/62/168092362.db2.gz WVHVMCSMAZECJW-UHFFFAOYSA-N 0 0 229.210 2.632 10 30 BFEERN CCC(=O)[C@@H](C#N)c1cc(C)ccc1OC ZINC000036930979 168250609 /nfs/dbraw/zinc/25/06/09/168250609.db2.gz YXCUWNXDWIJHHY-NSHDSACASA-N 0 0 217.268 2.590 10 30 BFEERN CCC(=O)[C@H](C#N)c1cc(C)ccc1OC ZINC000036930980 168252110 /nfs/dbraw/zinc/25/21/10/168252110.db2.gz YXCUWNXDWIJHHY-LLVKDONJSA-N 0 0 217.268 2.590 10 30 BFEERN CCC(C)(C)C(=O)N(C)c1cccc(C#N)c1 ZINC000061591105 168262096 /nfs/dbraw/zinc/26/20/96/168262096.db2.gz QYVJXGCDZDVURH-UHFFFAOYSA-N 0 0 230.311 2.957 10 30 BFEERN CCC(C)(C)C(=O)N(CCC#N)C(C)C ZINC000054403121 168262561 /nfs/dbraw/zinc/26/25/61/168262561.db2.gz BIXPUOCPLFDGRR-UHFFFAOYSA-N 0 0 210.321 2.573 10 30 BFEERN CCC(C)(C)OCc1ccccc1C#CCO ZINC000049621568 168304449 /nfs/dbraw/zinc/30/44/49/168304449.db2.gz WSSLXFYKWMXJKO-UHFFFAOYSA-N 0 0 232.323 2.736 10 30 BFEERN CCN(C[C@@H](C)C#N)C(=O)Nc1ccccc1F ZINC000042249371 169878882 /nfs/dbraw/zinc/87/88/82/169878882.db2.gz MJKSCFDOGNPNLJ-JTQLQIEISA-N 0 0 249.289 2.839 10 30 BFEERN CCN[C@@H](C#N)CCOc1cc(C)cc(C)c1 ZINC000062446408 170137741 /nfs/dbraw/zinc/13/77/41/170137741.db2.gz ZHVDJWOJADPTDG-CYBMUJFWSA-N 0 0 232.327 2.574 10 30 BFEERN CCOC(=O)C[C@H](C)Nc1ccc(CC#N)cc1 ZINC000051601137 170233179 /nfs/dbraw/zinc/23/31/79/170233179.db2.gz JYPAQWRGXUXDMV-NSHDSACASA-N 0 0 246.310 2.506 10 30 BFEERN CCOC(=O)[C@@](C)(C#N)Cc1cc(C)ccc1C ZINC000057535100 170260334 /nfs/dbraw/zinc/26/03/34/170260334.db2.gz SBEDEXSIGVLRAP-OAHLLOKOSA-N 0 0 245.322 2.939 10 30 BFEERN CCOC(=O)[C@@](C)(C#N)Cc1cccc(C)c1 ZINC000057519399 170260497 /nfs/dbraw/zinc/26/04/97/170260497.db2.gz DSLJCQZOOGBIAZ-CQSZACIVSA-N 0 0 231.295 2.631 10 30 BFEERN CCOC(=O)[C@@]1(CC)C=CC=C[C@@H]1CC#N ZINC000095931693 170262330 /nfs/dbraw/zinc/26/23/30/170262330.db2.gz WNIZCQRACMWFFH-YPMHNXCESA-N 0 0 219.284 2.602 10 30 BFEERN CCOC(=O)[C@]1(CC)C=CC=C[C@H]1CC#N ZINC000095931696 170285806 /nfs/dbraw/zinc/28/58/06/170285806.db2.gz WNIZCQRACMWFFH-WCQYABFASA-N 0 0 219.284 2.602 10 30 BFEERN CCOC(=O)c1cc(O)c2cc(C#N)ccc2c1 ZINC000095937695 170292853 /nfs/dbraw/zinc/29/28/53/170292853.db2.gz FRIGEDZXVYWFPY-UHFFFAOYSA-N 0 0 241.246 2.594 10 30 BFEERN CCOC(=O)c1ccc(NCCCC#N)cc1 ZINC000029216995 170296978 /nfs/dbraw/zinc/29/69/78/170296978.db2.gz ITMMPOGLJZVGTR-UHFFFAOYSA-N 0 0 232.283 2.579 10 30 BFEERN CCOC(C#CCc1ccccc1)OCC ZINC000072236483 170311527 /nfs/dbraw/zinc/31/15/27/170311527.db2.gz JFBJHKJYCSVISX-UHFFFAOYSA-N 0 0 218.296 2.632 10 30 BFEERN CCOc1cc([C@@H](C#N)NCC(C)C)ccc1O ZINC000037939099 170528066 /nfs/dbraw/zinc/52/80/66/170528066.db2.gz SJNNAPIDARHRNJ-GFCCVEGCSA-N 0 0 248.326 2.601 10 30 BFEERN CCOc1ccc(C(=O)C[C@H](C)C#N)cc1 ZINC000043368282 170537050 /nfs/dbraw/zinc/53/70/50/170537050.db2.gz SAOALBVRDPDWQE-JTQLQIEISA-N 0 0 217.268 2.818 10 30 BFEERN CCSC(=O)c1cc(C#N)c(Cl)nc1C ZINC000090400425 170625387 /nfs/dbraw/zinc/62/53/87/170625387.db2.gz DCDQTAHJGVSPHI-UHFFFAOYSA-N 0 0 240.715 2.808 10 30 BFEERN CCSCc1noc(-c2ccc(C#N)cc2)n1 ZINC000230998563 170646005 /nfs/dbraw/zinc/64/60/05/170646005.db2.gz DZTJPBDGCZWTIS-UHFFFAOYSA-N 0 0 245.307 2.861 10 30 BFEERN CCS[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000019870206 170647312 /nfs/dbraw/zinc/64/73/12/170647312.db2.gz JOBFOVXITRLNMJ-VIFPVBQESA-N 0 0 234.324 2.638 10 30 BFEERN CCSc1nc(Cl)c(C#N)c(SC)n1 ZINC000003649483 170657124 /nfs/dbraw/zinc/65/71/24/170657124.db2.gz JNDUCEXISBYVPM-UHFFFAOYSA-N 0 0 245.760 2.836 10 30 BFEERN CC[C@@H](C)N[C@@H](C#N)c1cc(C)c(O)c(C)c1 ZINC000038064426 170754725 /nfs/dbraw/zinc/75/47/25/170754725.db2.gz UVBIKKPPPKESDJ-YPMHNXCESA-N 0 0 232.327 2.962 10 30 BFEERN CC[C@@H](C)N[C@H](C#N)c1cc(C)c(O)c(C)c1 ZINC000038064428 170757368 /nfs/dbraw/zinc/75/73/68/170757368.db2.gz UVBIKKPPPKESDJ-DGCLKSJQSA-N 0 0 232.327 2.962 10 30 BFEERN CC[C@@H](C)N[C@H](C#N)c1ccc(OC)cc1OC ZINC000038064638 170757396 /nfs/dbraw/zinc/75/73/96/170757396.db2.gz KNAHDJQXGXJXBX-ZWNOBZJWSA-N 0 0 248.326 2.657 10 30 BFEERN CC[C@@H]1C[C@@H]1Nc1ccc(C#N)cc1F ZINC000227014425 171123314 /nfs/dbraw/zinc/12/33/14/171123314.db2.gz IKMWZFRHWIHDJF-SKDRFNHKSA-N 0 0 204.248 2.908 10 30 BFEERN CC[C@H](C#N)Oc1cccc2c1NCCC2 ZINC000043543717 171219816 /nfs/dbraw/zinc/21/98/16/171219816.db2.gz MWWAEHNJNBCSNZ-LLVKDONJSA-N 0 0 216.284 2.726 10 30 BFEERN CC[C@H](C)/N=C1/SC[C@](C)(/C=N/O)S1 ZINC000101481793 171246285 /nfs/dbraw/zinc/24/62/85/171246285.db2.gz CDZHGNFOECQGOW-MWUSDPSESA-N 0 0 232.374 2.840 10 30 BFEERN CC[C@H](C)C(=O)Nc1cccc(/C(C)=N/O)c1 ZINC000019479208 171255989 /nfs/dbraw/zinc/25/59/89/171255989.db2.gz DYSODBVQQVRMRD-JLBUCRLOSA-N 0 0 234.299 2.869 10 30 BFEERN CC[C@H](C)CN(C)c1cc(C)ccc1/C(N)=N/O ZINC000051578921 171275636 /nfs/dbraw/zinc/27/56/36/171275636.db2.gz YHLZEJJTVGANDB-JTQLQIEISA-N 0 0 249.358 2.572 10 30 BFEERN CC[C@H](C)C[C@@](C#N)(CC)NC[C@@H]1CCCO1 ZINC000037939841 171296961 /nfs/dbraw/zinc/29/69/61/171296961.db2.gz OVOGUXASHJOGHJ-MELADBBJSA-N 0 0 238.375 2.864 10 30 BFEERN CC[C@H](C)N(CC)c1ccc(C#N)cc1N ZINC000035674695 171312243 /nfs/dbraw/zinc/31/22/43/171312243.db2.gz GPPUMKQJBVEEEP-JTQLQIEISA-N 0 0 217.316 2.765 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1ccc(N(C)C)cc1 ZINC000038064565 171345372 /nfs/dbraw/zinc/34/53/72/171345372.db2.gz MGKQVADKIFPLEZ-FZMZJTMJSA-N 0 0 231.343 2.705 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1ccc(NC(C)=O)cc1 ZINC000038064561 171345519 /nfs/dbraw/zinc/34/55/19/171345519.db2.gz BXPXQVWPVIMBSO-HZMBPMFUSA-N 0 0 245.326 2.598 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1ccc(OC)c(C)c1 ZINC000050597229 171346859 /nfs/dbraw/zinc/34/68/59/171346859.db2.gz SOUPTSVHOSIRPI-WCQYABFASA-N 0 0 232.327 2.956 10 30 BFEERN CC[C@H](C)N[C@](C)(C#N)c1ccc(N(C)C)cc1 ZINC000038064139 171349085 /nfs/dbraw/zinc/34/90/85/171349085.db2.gz FFCFFZRUEIVCCX-SWLSCSKDSA-N 0 0 245.370 2.879 10 30 BFEERN CC[C@H]1CCCC[C@@H]1Oc1ncc(N)cc1C#N ZINC000037759297 171610528 /nfs/dbraw/zinc/61/05/28/171610528.db2.gz IQEDGNBZMZAABW-GWCFXTLKSA-N 0 0 245.326 2.883 10 30 BFEERN CCc1ccc(C(=O)C[C@H](C)C#N)cc1 ZINC000043368302 171783636 /nfs/dbraw/zinc/78/36/36/171783636.db2.gz ZFFVMHALSUNHQW-JTQLQIEISA-N 0 0 201.269 2.981 10 30 BFEERN CCc1ccc2c(c1)C=C(C(C)=O)CO2 ZINC000020390083 171847377 /nfs/dbraw/zinc/84/73/77/171847377.db2.gz KAEZSSGDTCOSMT-UHFFFAOYSA-N 0 0 202.253 2.614 10 30 BFEERN CNc1nc(-c2cccc(F)c2)ccc1C#N ZINC000050871416 173484939 /nfs/dbraw/zinc/48/49/39/173484939.db2.gz FERNXFRQYKIYIB-UHFFFAOYSA-N 0 0 227.242 2.801 10 30 BFEERN COC[C@](C)(C#N)Nc1cccc(Cl)c1 ZINC000053198744 174614442 /nfs/dbraw/zinc/61/44/42/174614442.db2.gz SSAFSEVFEXCQBY-NSHDSACASA-N 0 0 224.691 2.681 10 30 BFEERN COc1ccc(/C=C/C(C)=O)cc1Cl ZINC000071518061 175047131 /nfs/dbraw/zinc/04/71/31/175047131.db2.gz HVGWHCUYDSRQHN-ONEGZZNKSA-N 0 0 210.660 2.951 10 30 BFEERN COc1ccc(CCS)cc1Br ZINC000057956130 175092865 /nfs/dbraw/zinc/09/28/65/175092865.db2.gz YMCCXUXMEMIVOS-UHFFFAOYSA-N 0 0 247.157 2.930 10 30 BFEERN COc1ccc(COc2ncccc2C#N)cc1 ZINC000019965648 175114162 /nfs/dbraw/zinc/11/41/62/175114162.db2.gz GLBBGSUUJDPBNL-UHFFFAOYSA-N 0 0 240.262 2.541 10 30 BFEERN COc1ccc(NC(=O)[C@H](C#N)C(C)C)c(C)c1 ZINC000061568300 175146628 /nfs/dbraw/zinc/14/66/28/175146628.db2.gz VFXDPKRYHMNPMI-GFCCVEGCSA-N 0 0 246.310 2.738 10 30 BFEERN COc1ccc(N[C@@H](C)C#N)cc1Cl ZINC000043514077 175153401 /nfs/dbraw/zinc/15/34/01/175153401.db2.gz NJSWTCNUUYESBQ-ZETCQYMHSA-N 0 0 210.664 2.673 10 30 BFEERN COc1ccc2nccc(SCC#N)c2c1 ZINC000040175306 175230308 /nfs/dbraw/zinc/23/03/08/175230308.db2.gz DTYIJZZCUWMKTB-UHFFFAOYSA-N 0 0 230.292 2.859 10 30 BFEERN COc1cccc(N[C@@H](C#N)C(C)C)c1 ZINC000041049471 175279419 /nfs/dbraw/zinc/27/94/19/175279419.db2.gz BCXHFDFAQFPYJT-LBPRGKRZSA-N 0 0 204.273 2.655 10 30 BFEERN COc1cccc([C@H](C#N)C(=O)CC(C)C)c1 ZINC000040907839 175291882 /nfs/dbraw/zinc/29/18/82/175291882.db2.gz HETQJAPLQXOPTC-ZDUSSCGKSA-N 0 0 231.295 2.918 10 30 BFEERN COc1cccc2c(SCC#N)ccnc12 ZINC000040175304 175299808 /nfs/dbraw/zinc/29/98/08/175299808.db2.gz JPLMAKDJDZXMHW-UHFFFAOYSA-N 0 0 230.292 2.859 10 30 BFEERN COc1ccccc1-c1cc(N)c(C#N)s1 ZINC000044273402 175309438 /nfs/dbraw/zinc/30/94/38/175309438.db2.gz XYNMRGPHQIAFGH-UHFFFAOYSA-N 0 0 230.292 2.878 10 30 BFEERN COc1ccccc1CN[C@H](C#N)CC(C)C ZINC000057520957 175329851 /nfs/dbraw/zinc/32/98/51/175329851.db2.gz JIRITWIKUWYZNI-ZDUSSCGKSA-N 0 0 232.327 2.723 10 30 BFEERN COc1ccccc1C[C@@](C)(C#N)NC(C)C ZINC000037734975 175332916 /nfs/dbraw/zinc/33/29/16/175332916.db2.gz KGXGGJMBIZIMST-AWEZNQCLSA-N 0 0 232.327 2.518 10 30 BFEERN COc1ccccc1C[C@](C)(C#N)NCC1CC1 ZINC000037947002 175333824 /nfs/dbraw/zinc/33/38/24/175333824.db2.gz PLGVBUASWXPFKA-OAHLLOKOSA-N 0 0 244.338 2.520 10 30 BFEERN C[C@@H]1CC=CC[C@H]1COc1ccnc(C#N)c1 ZINC000061815387 176061943 /nfs/dbraw/zinc/06/19/43/176061943.db2.gz GRUKAUUCOBATLX-NEPJUHHUSA-N 0 0 228.295 2.934 10 30 BFEERN C[C@@H]1CCCC[C@H]1Oc1ccccc1/C(N)=N/O ZINC000020076497 176090498 /nfs/dbraw/zinc/09/04/98/176090498.db2.gz HUQUQUFAGKRIPQ-ZYHUDNBSSA-N 0 0 248.326 2.739 10 30 BFEERN C[C@@H]1CCC[C@H](Oc2cc(C#N)ccn2)C1 ZINC000020514255 176145849 /nfs/dbraw/zinc/14/58/49/176145849.db2.gz JKDFQZAPJWGKLP-PWSUYJOCSA-N 0 0 216.284 2.911 10 30 BFEERN C[C@@H]1CC[C@@H](C#N)[C@H](N(CCC#N)C2CC2)C1 ZINC000042531144 176194946 /nfs/dbraw/zinc/19/49/46/176194946.db2.gz GDGADBPXLFTKIB-MBNYWOFBSA-N 0 0 231.343 2.693 10 30 BFEERN C[C@@H]1CCc2cc(C#N)c(Cl)nc2C1 ZINC000049813636 176239753 /nfs/dbraw/zinc/23/97/53/176239753.db2.gz KERAUNQSFCASHP-SSDOTTSWSA-N 0 0 206.676 2.731 10 30 BFEERN C[C@@H]1CN(C)/C(=C/C(=O)C(C)(C)C)S1 ZINC000039109322 176265684 /nfs/dbraw/zinc/26/56/84/176265684.db2.gz JHTGDOXNDKDIEC-NDVARNPJSA-N 0 0 213.346 2.510 10 30 BFEERN C[C@@](N)(C#N)c1ccc(Cl)cc1Cl ZINC000022171894 176509823 /nfs/dbraw/zinc/50/98/23/176509823.db2.gz NZNLODOKOMWFLY-SECBINFHSA-N 0 0 215.083 2.691 10 30 BFEERN C[C@@]1(CC#N)COc2ccc(Cl)cc2C1=O ZINC000045929636 176529598 /nfs/dbraw/zinc/52/95/98/176529598.db2.gz MIMIYVFXGZXMKL-GFCCVEGCSA-N 0 0 235.670 2.835 10 30 BFEERN C[C@H](O)c1ccc(F)cc1OCCCCC#N ZINC000062749031 177017081 /nfs/dbraw/zinc/01/70/81/177017081.db2.gz NUVJPXOADCALBK-JTQLQIEISA-N 0 0 237.274 2.952 10 30 BFEERN C[C@H](Oc1ncc(N)cc1C#N)c1ccccc1 ZINC000037759321 177025143 /nfs/dbraw/zinc/02/51/43/177025143.db2.gz DRGUIQFGCAXBLA-JTQLQIEISA-N 0 0 239.278 2.675 10 30 BFEERN C[C@H](c1ccccc1)[C@H](C#N)N1CCCC1 ZINC000041046496 177040210 /nfs/dbraw/zinc/04/02/10/177040210.db2.gz XEWMUCIOJKCBNV-OCCSQVGLSA-N 0 0 214.312 2.778 10 30 BFEERN C[C@H]1CCCN(C(=O)[C@@H](C#N)c2ccccc2)C1 ZINC000061613937 177093582 /nfs/dbraw/zinc/09/35/82/177093582.db2.gz LVOWPOGLINRJRQ-JSGCOSHPSA-N 0 0 242.322 2.552 10 30 BFEERN C[C@H]1CCc2nc(Cl)c(C#N)cc2C1 ZINC000043404698 177210006 /nfs/dbraw/zinc/21/00/06/177210006.db2.gz FGTOMWDOLDQAQK-ZETCQYMHSA-N 0 0 206.676 2.731 10 30 BFEERN C[C@H]1CN(CC#Cc2ccc(F)cc2)CCS1 ZINC000159841159 177242092 /nfs/dbraw/zinc/24/20/92/177242092.db2.gz AGKIMMFYVYMVBP-LBPRGKRZSA-N 0 0 249.354 2.615 10 30 BFEERN C[C@H]1C[C@H]1C(=O)[C@@H](C#N)c1cc(F)cc(F)c1 ZINC000049350252 177377658 /nfs/dbraw/zinc/37/76/58/177377658.db2.gz OWAFSHUABFZFLU-BPTDKIDVSA-N 0 0 235.233 2.797 10 30 BFEERN C[C@H]1OCC[C@H]1Nc1cc(Cl)ccc1C#N ZINC000134382958 177408083 /nfs/dbraw/zinc/40/80/83/177408083.db2.gz SYRMXYRVIFWIQV-LDYMZIIASA-N 0 0 236.702 2.801 10 30 BFEERN CC1CC(C(=O)N(C)Cc2cccc(C#N)c2)C1 ZINC000531477039 266987788 /nfs/dbraw/zinc/98/77/88/266987788.db2.gz TWHATFZXPKCFTG-UHFFFAOYSA-N 0 0 242.322 2.563 10 30 BFEERN N#Cc1cccc(-c2nc(CC3CCC3)no2)c1 ZINC000284993047 268228456 /nfs/dbraw/zinc/22/84/56/268228456.db2.gz CNZZMOAABZBTIU-UHFFFAOYSA-N 0 0 239.278 2.951 10 30 BFEERN N#C[C@@H](C(=O)c1cccnc1)c1ccc(F)cc1 ZINC000037345524 324567384 /nfs/dbraw/zinc/56/73/84/324567384.db2.gz WWTKUNJFMPCBIG-CYBMUJFWSA-N 0 0 240.237 2.711 10 30 BFEERN CC(C)(C)OC(=O)N1CCC2(CC(C#N)C2)C1 ZINC000147686791 488026499 /nfs/dbraw/zinc/02/64/99/488026499.db2.gz RKRWQMWHGXWXSV-UHFFFAOYSA-N 0 0 236.315 2.547 10 30 BFEERN CC(=O)c1ccc2c(c1)[C@@H]1O[C@@H]1C(C)(C)O2 ZINC000039426580 490089834 /nfs/dbraw/zinc/08/98/34/490089834.db2.gz HHPHMEFAEUXBAX-RYUDHWBXSA-N 0 0 218.252 2.500 10 30 BFEERN CCOP(=O)(OCC)[C@H]1CCC=CC1=O ZINC000584639551 490181842 /nfs/dbraw/zinc/18/18/42/490181842.db2.gz ASMSLEGWUBVELH-JTQLQIEISA-N 0 0 232.216 2.540 10 30 BFEERN CC(C)C(=O)C([N+]#N)=C([O-])Oc1ccccc1 ZINC000584646109 491071128 /nfs/dbraw/zinc/07/11/28/491071128.db2.gz KVLXSBNAWBQUEF-UHFFFAOYSA-O 0 0 233.247 2.871 10 30 BFEERN Cc1nc(CNc2ncccc2C#N)c(C)s1 ZINC000301841259 491099321 /nfs/dbraw/zinc/09/93/21/491099321.db2.gz PMCCAWSEDCZCJC-UHFFFAOYSA-N 0 0 244.323 2.639 10 30 BFEERN CC[C@@H](S)C1CN(C(=O)OC(C)(C)C)C1 ZINC000757166525 582547796 /nfs/dbraw/zinc/54/77/96/582547796.db2.gz WJCYYLLQMSKWBQ-SECBINFHSA-N 0 0 231.361 2.562 10 30 BFEERN C[C@@]1(c2ccc(F)cc2Cl)O[C@H]1C#N ZINC000306521025 582653010 /nfs/dbraw/zinc/65/30/10/582653010.db2.gz KLOFTXCGNJWSAX-UWVGGRQHSA-N 0 0 211.623 2.617 10 30 BFEERN Fc1c(C[C@@H]2CO2)ccc2ccccc21 ZINC000307295779 582655239 /nfs/dbraw/zinc/65/52/39/582655239.db2.gz PDVOUQKUCTZLFY-LLVKDONJSA-N 0 0 202.228 2.920 10 30 BFEERN C=CCNc1nc(-c2ccc(Cl)cc2)no1 ZINC000057354137 518962607 /nfs/dbraw/zinc/96/26/07/518962607.db2.gz UTXDGUPEMPYTAW-UHFFFAOYSA-N 0 0 235.674 2.988 10 30 BFEERN C=CCNc1nc(-c2ccc(C)cc2)no1 ZINC000057354032 518962699 /nfs/dbraw/zinc/96/26/99/518962699.db2.gz VMBOPJFNHXEVET-UHFFFAOYSA-N 0 0 215.256 2.643 10 30 BFEERN CC1(C)[C@H]2CC[C@]1(C)/C(=N\OC[C@H]1CO1)C2 ZINC000252463655 520682151 /nfs/dbraw/zinc/68/21/51/520682151.db2.gz OJBHYQHZQDEUEM-JUVLLRISSA-N 0 0 223.316 2.604 10 30 BFEERN C=CCCCCNc1cc(C)c(C)nn1 ZINC000302794700 534695000 /nfs/dbraw/zinc/69/50/00/534695000.db2.gz IYILKADDXVREJK-UHFFFAOYSA-N 0 0 205.305 2.862 10 30 BFEERN CN(C)/C=C1/CCCc2ccccc2C1=O ZINC000012367852 523968139 /nfs/dbraw/zinc/96/81/39/523968139.db2.gz MVQFCMRATNPGQC-BENRWUELSA-N 0 0 215.296 2.651 10 30 BFEERN Cc1ccsc1C1=CC(=O)C[C@@](C)(O)C1 ZINC000040538559 525828801 /nfs/dbraw/zinc/82/88/01/525828801.db2.gz XUIBQFXIHVVPEK-LBPRGKRZSA-N 0 0 222.309 2.554 10 30 BFEERN N#CCc1ccc(OCc2ccccc2)nc1 ZINC000238854915 526485859 /nfs/dbraw/zinc/48/58/59/526485859.db2.gz PMOYGWJYHNTOON-UHFFFAOYSA-N 0 0 224.263 2.727 10 30 BFEERN CCN(c1cccc(F)c1C#N)C1CC1 ZINC000078597885 535417762 /nfs/dbraw/zinc/41/77/62/535417762.db2.gz HPCIQXAYDXARBD-UHFFFAOYSA-N 0 0 204.248 2.686 10 30 BFEERN FC(F)(F)Oc1cccc(C[C@@H]2CO2)c1 ZINC000148309388 566376770 /nfs/dbraw/zinc/37/67/70/566376770.db2.gz VHJJLSAYBMXATF-SECBINFHSA-N 0 0 218.174 2.527 10 30 BFEERN C=C(C)[C@@H]1CC[C@H](C)[C@H]2CC(=O)C(C)=C2[C@@H]1O ZINC000004098276 560195467 /nfs/dbraw/zinc/19/54/67/560195467.db2.gz MCNAURNYDFSEML-APAOZMKASA-N 0 0 234.339 2.875 10 30 in-vitro BFEERN CC1=CC(=O)CC(C)(C)[C@@]12CC[C@H](C)O2 ZINC000014765841 571722618 /nfs/dbraw/zinc/72/26/18/571722618.db2.gz AXQMCYYCOKLZPP-GXFFZTMASA-N 0 0 208.301 2.869 10 30 endogenous,in-man BFEERN CC[C@@H]1CC[C@@](C#N)([C@H](O)c2ccccn2)C1 ZINC000091881108 574474698 /nfs/dbraw/zinc/47/46/98/574474698.db2.gz ZOBQJRYQHOEDNG-MRVWCRGKSA-N 0 0 230.311 2.835 10 30 BFEERN CCOC(=O)C[C@]1([C@@H]2CO2)CC[C@H](C)[C@H](C)C1 ZINC000675052555 583300806 /nfs/dbraw/zinc/30/08/06/583300806.db2.gz GIWJZXOWWKNWBU-OPDFLTKYSA-N 0 0 240.343 2.781 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@]12CCC(C)(C)C[C@@H]2C ZINC000234599620 582461825 /nfs/dbraw/zinc/46/18/25/582461825.db2.gz SCEQWJXXTWNNFV-UWJYBYFXSA-N 0 0 246.734 2.710 10 30 BFEERN C=C[C@H](C)N1C(=S)N=NC1c1cccc(N)c1 ZINC000757129959 582504393 /nfs/dbraw/zinc/50/43/93/582504393.db2.gz KJPPSVCZYTUONK-QMMMGPOBSA-N 0 0 246.339 2.563 10 30 BFEERN C=C[C@H](C)NC(=S)NCc1cccc(C)c1 ZINC000757133060 582509126 /nfs/dbraw/zinc/50/91/26/582509126.db2.gz FTIKIAFYJKSOIR-NSHDSACASA-N 0 0 234.368 2.534 10 30 BFEERN Oc1c(Br)cccc1CS ZINC000757159685 582540989 /nfs/dbraw/zinc/54/09/89/582540989.db2.gz SUPWEPAVRZMMAH-UHFFFAOYSA-N 0 0 219.103 2.585 10 30 BFEERN Cc1ccoc1CSCCOCCC#N ZINC000757163008 582545673 /nfs/dbraw/zinc/54/56/73/582545673.db2.gz BXXUWJCTGSTDGG-UHFFFAOYSA-N 0 0 225.313 2.752 10 30 BFEERN CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](S)C1 ZINC000757163963 582546171 /nfs/dbraw/zinc/54/61/71/582546171.db2.gz VVYMLJWEQZPDIJ-RKDXNWHRSA-N 0 0 231.361 2.610 10 30 BFEERN C=C[C@H](SCc1occc1C)C(=O)OC ZINC000757167928 582549433 /nfs/dbraw/zinc/54/94/33/582549433.db2.gz ZRJIJAROJLQTNY-JTQLQIEISA-N 0 0 226.297 2.549 10 30 BFEERN C=C[C@H](C)N1C(=S)N=NC1[C@@H](C)CC ZINC000757134714 586427297 /nfs/dbraw/zinc/42/72/97/586427297.db2.gz YOFHMFVOCAVUSO-YUMQZZPRSA-N 0 0 211.334 2.827 10 30 BFEERN C[C@H]1C[C@@H](S)CN(C(=O)OC(C)(C)C)C1 ZINC000757159156 586430470 /nfs/dbraw/zinc/43/04/70/586430470.db2.gz GZCKIAXOQFDIIG-DTWKUNHWSA-N 0 0 231.361 2.562 10 30 BFEERN C[C@H]1CC[C@@H](S)CN1C(=O)OC(C)(C)C ZINC000757162469 586432203 /nfs/dbraw/zinc/43/22/03/586432203.db2.gz IGFLESYXCOJZPP-DTWKUNHWSA-N 0 0 231.361 2.704 10 30 BFEERN CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)S ZINC000757166638 586432684 /nfs/dbraw/zinc/43/26/84/586432684.db2.gz WMNFYQLHJKTLAC-HTQZYQBOSA-N 0 0 219.350 2.608 10 30 BFEERN CN[C@@H](C#N)CCSCc1ccc(Cl)o1 ZINC000757161990 586432748 /nfs/dbraw/zinc/43/27/48/586432748.db2.gz ARPDVMQUJASXLS-MRVPVSSYSA-N 0 0 244.747 2.668 10 30 BFEERN C=CCOC(=O)[C@@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109153588 588524587 /nfs/dbraw/zinc/52/45/87/588524587.db2.gz MCOUFZAQVGXFCD-NXEZZACHSA-N 0 0 238.233 2.798 10 30 BFEERN N#C[C@@H](OC(=O)Cc1ccccc1Cl)C1CC1 ZINC000176084217 631511336 /nfs/dbraw/zinc/51/13/36/631511336.db2.gz MLMNXQIAGGYILC-GFCCVEGCSA-N 0 0 249.697 2.728 10 30 BFEERN C=C(Cl)CN[C@@H](C)c1c(C)nn(CC)c1C ZINC000161730946 632393909 /nfs/dbraw/zinc/39/39/09/632393909.db2.gz VSTGXCBNEPMDPC-VIFPVBQESA-N 0 0 241.766 2.923 10 30 BFEERN C#CC[C@H](OC(=O)Cc1cccc(F)c1)C(C)C ZINC000177733151 632870754 /nfs/dbraw/zinc/87/07/54/632870754.db2.gz JKTTVIDUVWANBL-AWEZNQCLSA-N 0 0 248.297 2.959 10 30 BFEERN C#CCCCCC(=O)O[C@H](C)C1CCOCC1 ZINC000180797682 633054434 /nfs/dbraw/zinc/05/44/34/633054434.db2.gz MAASRHXIBSRQFD-GFCCVEGCSA-N 0 0 238.327 2.538 10 30 BFEERN CC(C)(CCC#N)COC(=O)[C@H]1C[C@H]1C1CC1 ZINC000195039761 634346138 /nfs/dbraw/zinc/34/61/38/634346138.db2.gz FXDPCTUJXYNZIH-RYUDHWBXSA-N 0 0 235.327 2.906 10 30 BFEERN CCCCCCCCOCC(=O)N[C@H]1C[C@@H]1C ZINC000163445773 636727457 /nfs/dbraw/zinc/72/74/57/636727457.db2.gz UCVMUWDCNQHTJS-STQMWFEESA-N 0 0 241.375 2.888 10 30 BFEERN COc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1C ZINC000061892396 641004193 /nfs/dbraw/zinc/00/41/93/641004193.db2.gz UKCBSBPKLPIIHP-UONOGXRCSA-N 0 0 244.338 2.786 10 30 BFEERN C=CCC[C@H](OC(=O)[C@@H]1CC[C@@H](C)O1)C1CC1 ZINC000159647297 641692143 /nfs/dbraw/zinc/69/21/43/641692143.db2.gz VPNHYHDXGIDBOZ-WXHSDQCUSA-N 0 0 238.327 2.842 10 30 BFEERN CCOc1ccc(O)c(/C=N/[C@@H]2C[C@@H]2C)c1 ZINC000076008319 641786506 /nfs/dbraw/zinc/78/65/06/641786506.db2.gz CMBFIKKZALXSOR-JXPSKLBISA-N 0 0 219.284 2.618 10 30 BFEERN CCCCCCCC(=O)NC[C@@H](O)C(C)(C)C ZINC000324505544 641876166 /nfs/dbraw/zinc/87/61/66/641876166.db2.gz OYGVTOOZGTUASE-GFCCVEGCSA-N 0 0 243.391 2.870 10 30 BFEERN C=CC[C@@H](Cc1ccc(Cl)c(C)c1)NN ZINC000757152378 643343387 /nfs/dbraw/zinc/34/33/87/643343387.db2.gz KWFPBYKSQXXHOJ-NSHDSACASA-N 0 0 224.735 2.599 10 30 BFEERN C#C[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000185962163 643417212 /nfs/dbraw/zinc/41/72/12/643417212.db2.gz RDWDRNIVJADZEM-QWRGUYRKSA-N 0 0 248.301 2.516 10 30 BFEERN C[C@H](OC(=O)[C@@H]1C[C@H]1C1CC1)C(C)(C)C#N ZINC000245552539 644532134 /nfs/dbraw/zinc/53/21/34/644532134.db2.gz PVHSSSZAFSPKFL-INTQDDNPSA-N 0 0 221.300 2.514 10 30 BFEERN CCCOc1ccc(C=NO)cc1OCC ZINC000249793799 644741015 /nfs/dbraw/zinc/74/10/15/644741015.db2.gz DCFOJIXHXJOQBI-UHFFFAOYSA-N 0 0 223.272 2.682 10 30 BFEERN C=C1CCC(CNC(=O)OC(C)C)CC1 ZINC000724470242 711582177 /nfs/dbraw/zinc/58/21/77/711582177.db2.gz LZPXMCJIEODAGV-UHFFFAOYSA-N 0 0 211.305 2.867 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1scnc1Cl ZINC000713504758 712463904 /nfs/dbraw/zinc/46/39/04/712463904.db2.gz STGTVARJVJRUOS-JGVFFNPUSA-N 0 0 241.747 2.578 10 30 BFEERN CC[C@H](CC#N)OC(=O)/C=C\c1ccco1 ZINC000588558070 959171523 /nfs/dbraw/zinc/17/15/23/959171523.db2.gz IGLLMPMSXYWQCF-WWQCOOJYSA-N 0 0 219.240 2.528 10 30 BFEERN C#CC[C@@H](OC(=O)/C(=C/C)CC)C1CC1 ZINC000588569963 959250599 /nfs/dbraw/zinc/25/05/99/959250599.db2.gz NJZQSKGHOFAYGU-SBKJXLNCSA-N 0 0 206.285 2.688 10 30 BFEERN O=C(/C=C\c1cocn1)c1ccsc1 ZINC000588578450 959330737 /nfs/dbraw/zinc/33/07/37/959330737.db2.gz FYMNXGVCKGDJSQ-UPHRSURJSA-N 0 0 205.238 2.632 10 30 BFEERN COc1ccc2c(c1)C(=O)/C(=C/c1cocn1)C2 ZINC000588579345 959337374 /nfs/dbraw/zinc/33/73/74/959337374.db2.gz QRGAWNIUANESOH-BJMVGYQFSA-N 0 0 241.246 2.506 10 30 BFEERN Cc1ccccc1C(=O)/C=C\c1cocn1 ZINC000588578832 959338129 /nfs/dbraw/zinc/33/81/29/959338129.db2.gz AFNSXWVJPFUWFA-SREVYHEPSA-N 0 0 213.236 2.879 10 30 BFEERN Cc1ccc2c(c1)C(=O)/C(=C/c1cocn1)C2 ZINC000588579670 959339533 /nfs/dbraw/zinc/33/95/33/959339533.db2.gz ULLZFEHBEDLSRV-IZZDOVSWSA-N 0 0 225.247 2.805 10 30 BFEERN C/C=C(/CC)C(=O)OCC(C)(C)CC#N ZINC000588570219 960099492 /nfs/dbraw/zinc/09/94/92/960099492.db2.gz AWLWZPLUFUMPMA-YHYXMXQVSA-N 0 0 209.289 2.826 10 30 BFEERN Cc1noc(C)c1NC(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000330283857 961065095 /nfs/dbraw/zinc/06/50/95/961065095.db2.gz WRCQWTPUWRQHMY-WDEREUQCSA-N 0 0 249.314 2.711 10 30 BFEERN C=CCCCCC[N@H+]1CC[C@H](C)[C@@H](C(=O)[O-])C1 ZINC000822088961 969197575 /nfs/dbraw/zinc/19/75/75/969197575.db2.gz XDUAXXJSXBPHBC-STQMWFEESA-N 0 0 239.359 2.775 10 30 BFEERN C=CCC1([NH2+]Cc2occc2C(=O)[O-])CCCC1 ZINC000690751728 976331094 /nfs/dbraw/zinc/33/10/94/976331094.db2.gz VXALWKPOVHYIDJ-UHFFFAOYSA-N 0 0 249.310 2.956 10 30 BFEERN C=CCCCCC[N@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1 ZINC000710201101 977492377 /nfs/dbraw/zinc/49/23/77/977492377.db2.gz PLVYKQFPYHLUMS-JSGCOSHPSA-N 0 0 239.359 2.775 10 30 BFEERN CC(C)(C)OC(=O)C#C[C@H]1CCCC12CC2 ZINC000685954416 538898017 /nfs/dbraw/zinc/89/80/17/538898017.db2.gz WUFKPYBMZXQZPF-LLVKDONJSA-N 0 0 220.312 2.912 10 30 BFEERN CC(C)(C)OC(=O)C#CC(C)(C)C(F)F ZINC000685954716 538899211 /nfs/dbraw/zinc/89/92/11/538899211.db2.gz ZLMONSABVIRFIO-UHFFFAOYSA-N 0 0 218.243 2.623 10 30 BFEERN Cc1cc(C)cc([C@H](C#N)N2CCCC2)c1 ZINC000043395073 177917042 /nfs/dbraw/zinc/91/70/42/177917042.db2.gz CCVNLQCKXMXDFP-AWEZNQCLSA-N 0 0 214.312 2.964 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)C1CCC=CCC1 ZINC000602116471 349445983 /nfs/dbraw/zinc/44/59/83/349445983.db2.gz NYWCOIDEFJMARF-CHWSQXEVSA-N 0 0 232.327 2.541 10 30 BFEERN N#Cc1csc(/C=C/Br)c1 ZINC000685964324 538911096 /nfs/dbraw/zinc/91/10/96/538911096.db2.gz AGKZQVOXFYPDED-OWOJBTEDSA-N 0 0 214.087 2.985 10 30 BFEERN CCCCCC[C@H]([C@H](C)O)n1cnc(C#N)c1 ZINC000062722441 349491511 /nfs/dbraw/zinc/49/15/11/349491511.db2.gz IPRCHGAHWIXNMW-WCQYABFASA-N 0 0 235.331 2.647 10 30 BFEERN N#CCCCNc1cc(F)c(F)c(F)c1 ZINC000061095799 187322402 /nfs/dbraw/zinc/32/24/02/187322402.db2.gz PZXAPBRKIKVSPD-UHFFFAOYSA-N 0 0 214.190 2.820 10 30 BFEERN Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1F ZINC000161616884 349477031 /nfs/dbraw/zinc/47/70/31/349477031.db2.gz HWTICHSSJGDLDH-CMPLNLGQSA-N 0 0 246.285 2.556 10 30 BFEERN CC[C@H](C#N)C(=O)c1cc(F)ccc1C ZINC000062665908 346813479 /nfs/dbraw/zinc/81/34/79/346813479.db2.gz DDDQKZJHFKIIAN-SECBINFHSA-N 0 0 205.232 2.867 10 30 BFEERN Cc1cc(Cl)ccc1NC1=NCCS1 ZINC000013858464 178064774 /nfs/dbraw/zinc/06/47/74/178064774.db2.gz GTAYXLDODNXXPG-UHFFFAOYSA-N 0 0 226.732 2.972 10 30 BFEERN N#C[C@H](NC(=O)[C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000119731439 136220829 /nfs/dbraw/zinc/22/08/29/136220829.db2.gz VDVLFUUPKSJKSD-MJBXVCDLSA-N 0 0 246.354 2.621 10 30 BFEERN Cc1cc(NCCCOC(C)C)c(C#N)c(C)n1 ZINC000301763429 178160578 /nfs/dbraw/zinc/16/05/78/178160578.db2.gz GPEWKLHWEAMFGJ-UHFFFAOYSA-N 0 0 247.342 2.797 10 30 BFEERN Cc1cc(SC[C@@H]2CCCO2)c(C#N)c(C)n1 ZINC000235836293 178217900 /nfs/dbraw/zinc/21/79/00/178217900.db2.gz OUCQMGHEHOWWOV-NSHDSACASA-N 0 0 248.351 2.841 10 30 BFEERN Cc1cc(SCC=O)ccc1Cl ZINC000019686115 178218810 /nfs/dbraw/zinc/21/88/10/178218810.db2.gz KKXLLVILGLTCQK-UHFFFAOYSA-N 0 0 200.690 2.939 10 30 BFEERN Cc1cc([C@H](C#N)NC(C)C)ccc1F ZINC000050558760 178244112 /nfs/dbraw/zinc/24/41/12/178244112.db2.gz INZVLNKJZXIIBB-LBPRGKRZSA-N 0 0 206.264 2.697 10 30 BFEERN C=C(Br)COc1cccc(O)c1 ZINC000036439362 343992228 /nfs/dbraw/zinc/99/22/28/343992228.db2.gz AQNQVAKQVOPAEC-UHFFFAOYSA-N 0 0 229.073 2.680 10 30 BFEERN CCOC(=O)[C@@]1(CC)O[C@@]1(C)CC1CCC1 ZINC000229762676 538941382 /nfs/dbraw/zinc/94/13/82/538941382.db2.gz PBTUMSQJWAQGPZ-QWHCGFSZSA-N 0 0 226.316 2.677 10 30 BFEERN Cc1cc2ncc(C#N)c(Cl)c2cc1[N+](=O)[O-] ZINC000095937924 178303293 /nfs/dbraw/zinc/30/32/93/178303293.db2.gz VUPYLPPYBYOOGF-UHFFFAOYSA-N 0 0 247.641 2.977 10 30 BFEERN Cc1ccc(-c2nc(C#N)cs2)cc1 ZINC000019723135 178333249 /nfs/dbraw/zinc/33/32/49/178333249.db2.gz ZHAVMPZYYJALHG-UHFFFAOYSA-N 0 0 200.266 2.990 10 30 BFEERN Cc1ccc(-c2csnc2C#N)cc1 ZINC000039104917 178331571 /nfs/dbraw/zinc/33/15/71/178331571.db2.gz GEYSDZODVHYGRC-UHFFFAOYSA-N 0 0 200.266 2.990 10 30 BFEERN C=C(Cc1cscn1)C(=O)OC(C)(C)C ZINC000066351505 398264448 /nfs/dbraw/zinc/26/44/48/398264448.db2.gz FUSMBJNHBXOYLE-UHFFFAOYSA-N 0 0 225.313 2.584 10 30 BFEERN Cc1ccc(C#N)c(Sc2ncccc2N)c1 ZINC000051596070 178366511 /nfs/dbraw/zinc/36/65/11/178366511.db2.gz KBQXMZFIRFLEBX-UHFFFAOYSA-N 0 0 241.319 2.995 10 30 BFEERN Cc1ccc(C#N)cc1NCCCn1ccnc1 ZINC000050430125 178367407 /nfs/dbraw/zinc/36/74/07/178367407.db2.gz VDOFMWNBESHTHE-UHFFFAOYSA-N 0 0 240.310 2.565 10 30 BFEERN Cc1ccc(/C(=N/N)c2ccccc2)s1 ZINC000005747362 178350333 /nfs/dbraw/zinc/35/03/33/178350333.db2.gz KVYIFTNDBIFXCQ-WYMLVPIESA-N 0 0 216.309 2.768 10 30 BFEERN Cc1ccc(C#N)cc1N[C@H]1CCC[C@@H]1C#N ZINC000054828903 178367475 /nfs/dbraw/zinc/36/74/75/178367475.db2.gz BDJWVZLAHLIWAI-OLZOCXBDSA-N 0 0 225.295 2.971 10 30 BFEERN Cc1ccc(C(=O)N(CCC#N)C2CC2)cc1 ZINC000042548747 178383093 /nfs/dbraw/zinc/38/30/93/178383093.db2.gz XTSOJEOLUMRMNU-UHFFFAOYSA-N 0 0 228.295 2.513 10 30 BFEERN C=CC(=O)[C@@]1(C)CCCN1C(=O)OC(C)(C)C ZINC000405516329 538960109 /nfs/dbraw/zinc/96/01/09/538960109.db2.gz RYXYIKRELRJBQH-CYBMUJFWSA-N 0 0 239.315 2.531 10 30 BFEERN Cc1ccc(CN[C@@H]2CCCC[C@@H]2C#N)o1 ZINC000054829802 398283463 /nfs/dbraw/zinc/28/34/63/398283463.db2.gz WWLYLELORLOXRV-DGCLKSJQSA-N 0 0 218.300 2.760 10 30 BFEERN N#Cc1ccc(Sc2cccc(CO)c2)cn1 ZINC000148302682 342789789 /nfs/dbraw/zinc/78/97/89/342789789.db2.gz GZPNRWGUSMUZBK-UHFFFAOYSA-N 0 0 242.303 2.597 10 30 BFEERN COc1cc(-c2cccc(F)c2)cnc1C#N ZINC000149838299 342794941 /nfs/dbraw/zinc/79/49/41/342794941.db2.gz BFVYJOBNULDZAO-UHFFFAOYSA-N 0 0 228.226 2.768 10 30 BFEERN C[C@@]1(C23CC4CC(CC(C4)C2)C3)O[C@H]1C#N ZINC000380520191 538990132 /nfs/dbraw/zinc/99/01/32/538990132.db2.gz XBLPMISOCXOIBN-PXVSSIBLSA-N 0 0 217.312 2.884 10 30 BFEERN C=CCC1(C(=O)N2CCS[C@@H](C)C2)CCC1 ZINC000191256654 538992039 /nfs/dbraw/zinc/99/20/39/538992039.db2.gz BXUXIKVJRXATDB-NSHDSACASA-N 0 0 239.384 2.697 10 30 BFEERN C#C[C@H](CC)Nc1ccc(Br)cn1 ZINC000229998649 342862815 /nfs/dbraw/zinc/86/28/15/342862815.db2.gz RSFGFIHSWBSYLG-SECBINFHSA-N 0 0 239.116 2.668 10 30 BFEERN C#C[C@@H](CC)Nc1ccc(Br)cn1 ZINC000229998643 342862845 /nfs/dbraw/zinc/86/28/45/342862845.db2.gz RSFGFIHSWBSYLG-VIFPVBQESA-N 0 0 239.116 2.668 10 30 BFEERN C=CCSCC(=O)Cc1ccccc1F ZINC000308777826 342870719 /nfs/dbraw/zinc/87/07/19/342870719.db2.gz BCRVFRYYIBPAQJ-UHFFFAOYSA-N 0 0 224.300 2.857 10 30 BFEERN Cc1cccc(C=Nc2ccc(C(N)=O)cc2)c1 ZINC000254345621 398308179 /nfs/dbraw/zinc/30/81/79/398308179.db2.gz IKQTZHIAEGGFSY-UHFFFAOYSA-N 0 0 238.290 2.845 10 30 BFEERN CCN[C@@H](C#N)c1ccc(F)cc1Cl ZINC000233549013 342872217 /nfs/dbraw/zinc/87/22/17/342872217.db2.gz JXMNRQFCJOLHCN-JTQLQIEISA-N 0 0 212.655 2.653 10 30 BFEERN Clc1cccc(Cl)c1NC1=NCCO1 ZINC000013835972 342872708 /nfs/dbraw/zinc/87/27/08/342872708.db2.gz LZQLXSNYZUENIF-UHFFFAOYSA-N 0 0 231.082 2.601 10 30 in-man BFEERN C=CCCOP(=O)(OCC)OCC ZINC000034165204 398343240 /nfs/dbraw/zinc/34/32/40/398343240.db2.gz IJPQJUQHQJRNJK-UHFFFAOYSA-N 0 0 208.194 2.760 10 30 BFEERN C#CCC(=O)c1cc(C)cc(Br)c1 ZINC000167707621 346901265 /nfs/dbraw/zinc/90/12/65/346901265.db2.gz ZMEKCPNLWWNHTA-UHFFFAOYSA-N 0 0 237.096 2.964 10 30 BFEERN C=C(C)CN(CC)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000034957035 187208292 /nfs/dbraw/zinc/20/82/92/187208292.db2.gz AJMMEYKXKLBFJB-UHFFFAOYSA-N 0 0 248.282 2.810 10 30 BFEERN N#CC[C@H]1CCCN1Cc1ccccc1 ZINC000117479511 342997689 /nfs/dbraw/zinc/99/76/89/342997689.db2.gz FSNSUSQYNLCLRF-CYBMUJFWSA-N 0 0 200.285 2.565 10 30 BFEERN COc1ccccc1C1=CCCCC1=O ZINC000036448633 343002717 /nfs/dbraw/zinc/00/27/17/343002717.db2.gz WHBQPAVZHFVJJR-UHFFFAOYSA-N 0 0 202.253 2.832 10 30 BFEERN CN=[S@@](=O)(c1ccc(C#N)cc1)C(F)(F)F ZINC000118645593 343051806 /nfs/dbraw/zinc/05/18/06/343051806.db2.gz YLHLMUBJAIGQDY-MRXNPFEDSA-N 0 0 248.229 2.535 10 30 BFEERN Cc1ccc(C#N)c(OCc2ccccc2)n1 ZINC000043400001 343063038 /nfs/dbraw/zinc/06/30/38/343063038.db2.gz PBQKYEBSZYRRAB-UHFFFAOYSA-N 0 0 224.263 2.841 10 30 BFEERN N#CC[C@@H]1CC[C@H](c2ncc(Cl)s2)O1 ZINC000306662879 362021871 /nfs/dbraw/zinc/02/18/71/362021871.db2.gz QBMJERJZVYWPFI-NKWVEPMBSA-N 0 0 228.704 2.930 10 30 BFEERN N#Cc1ccccc1Oc1cccc(CO)c1 ZINC000043475612 343087093 /nfs/dbraw/zinc/08/70/93/343087093.db2.gz XMQGJSSHNBJEST-UHFFFAOYSA-N 0 0 225.247 2.843 10 30 BFEERN O=CCc1cc(Br)ccc1Cl ZINC000145089912 343102683 /nfs/dbraw/zinc/10/26/83/343102683.db2.gz RRGZFBCSWCNCMR-UHFFFAOYSA-N 0 0 233.492 2.844 10 30 BFEERN C[C@@H](C#N)Nc1ccc(F)cc1Br ZINC000043514711 343116515 /nfs/dbraw/zinc/11/65/15/343116515.db2.gz JDFLQKPNTBKGOS-LURJTMIESA-N 0 0 243.079 2.912 10 30 BFEERN CC(=O)Nc1ccc(SC[C@H](C)C#N)cc1 ZINC000007205997 187248466 /nfs/dbraw/zinc/24/84/66/187248466.db2.gz HUCWQKLGJXGRAU-SECBINFHSA-N 0 0 234.324 2.897 10 30 BFEERN C[C@@H](C=O)c1ccc(Br)cc1 ZINC000032012775 343228297 /nfs/dbraw/zinc/22/82/97/343228297.db2.gz WJTCCULQAHZZRE-ZETCQYMHSA-N 0 0 213.074 2.752 10 30 BFEERN CC(C)(C)c1ccc(N2C[C@@H](C#N)CC2=O)cc1 ZINC000011894212 187250262 /nfs/dbraw/zinc/25/02/62/187250262.db2.gz LOWOOJNBXHHFDW-LLVKDONJSA-N 0 0 242.322 2.861 10 30 BFEERN N#CCCN(c1ccccc1)c1ccc(N)cn1 ZINC000019833144 187252621 /nfs/dbraw/zinc/25/26/21/187252621.db2.gz KLDABALRRCCQOJ-UHFFFAOYSA-N 0 0 238.294 2.716 10 30 BFEERN C/C(=N\O)c1cccc(OCC(F)(F)F)c1 ZINC000019809337 187252728 /nfs/dbraw/zinc/25/27/28/187252728.db2.gz JWORUYSKCIAXHC-VGOFMYFVSA-N 0 0 233.189 2.826 10 30 BFEERN N#CCC(=O)c1ccc(F)cc1Br ZINC000019476688 187253018 /nfs/dbraw/zinc/25/30/18/187253018.db2.gz RYNYWLGRBFWEKF-UHFFFAOYSA-N 0 0 242.047 2.685 10 30 BFEERN CN(C)c1ccc(C(F)(F)F)cc1C#N ZINC000036926927 343327942 /nfs/dbraw/zinc/32/79/42/343327942.db2.gz VZWMCLJYCGUIJD-UHFFFAOYSA-N 0 0 214.190 2.643 10 30 BFEERN C/C=C/C(=O)c1ccc(C(=O)OC)cc1C ZINC000309365176 343333253 /nfs/dbraw/zinc/33/32/53/343333253.db2.gz NZWIARFJZAUQBO-SNAWJCMRSA-N 0 0 218.252 2.540 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1n1cc(Cl)cn1 ZINC000038053526 343367627 /nfs/dbraw/zinc/36/76/27/343367627.db2.gz XYDSBESPPIGNTE-SCZZXKLOSA-N 0 0 209.680 2.791 10 30 BFEERN N#CCCN(c1ccccc1)[C@@H]1CCCC[C@@H]1O ZINC000037691598 187259794 /nfs/dbraw/zinc/25/97/94/187259794.db2.gz UEOSSHYWMAVQGM-CABCVRRESA-N 0 0 244.338 2.710 10 30 BFEERN CCC1=CC(=O)[C@](C)(c2ccccc2)O1 ZINC000039100791 343383843 /nfs/dbraw/zinc/38/38/43/343383843.db2.gz JDGDKXNZFHZQKC-ZDUSSCGKSA-N 0 0 202.253 2.795 10 30 BFEERN C[C@H](CC#N)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247250611 343416331 /nfs/dbraw/zinc/41/63/31/343416331.db2.gz DQOSNDRBADQIAO-WXHSDQCUSA-N 0 0 234.343 2.621 10 30 BFEERN N#Cc1cccc([C@@H](C#N)NC2CCCC2)c1 ZINC000037968448 187261561 /nfs/dbraw/zinc/26/15/61/187261561.db2.gz PTHFQXNXNUBHSC-CQSZACIVSA-N 0 0 225.295 2.655 10 30 BFEERN Cc1cnc(NC(=O)N2CCC[C@H](C3CC3)C2)o1 ZINC000329405814 136365626 /nfs/dbraw/zinc/36/56/26/136365626.db2.gz BWHFFICBPQUITF-NSHDSACASA-N 0 0 249.314 2.651 10 30 BFEERN N#C[C@@]1(NC2CCCC2)CCc2ccccc21 ZINC000037968469 187261911 /nfs/dbraw/zinc/26/19/11/187261911.db2.gz GPBLNXBMDFRUJJ-HNNXBMFYSA-N 0 0 226.323 2.884 10 30 BFEERN N#CCC(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000043566638 343477948 /nfs/dbraw/zinc/47/79/48/343477948.db2.gz YYMKPIUYLMWMQL-UHFFFAOYSA-N 0 0 231.148 2.941 10 30 BFEERN N#CC[C@H](O)c1ccc(Cl)cc1Cl ZINC000035962672 343522915 /nfs/dbraw/zinc/52/29/15/343522915.db2.gz OZYOJTQZHXVRGH-VIFPVBQESA-N 0 0 216.067 2.940 10 30 BFEERN CSc1nc2cc(C#N)ccc2s1 ZINC000045236065 343526371 /nfs/dbraw/zinc/52/63/71/343526371.db2.gz JNFFNBPSXQIOQH-UHFFFAOYSA-N 0 0 206.295 2.890 10 30 BFEERN N#CCCN(c1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000042549481 187265960 /nfs/dbraw/zinc/26/59/60/187265960.db2.gz OLERUPIEJRWYQZ-UHFFFAOYSA-N 0 0 249.245 2.616 10 30 BFEERN CC(C)N(CCC#N)c1ccc(C=O)cc1F ZINC000042529201 187266003 /nfs/dbraw/zinc/26/60/03/187266003.db2.gz KZTVXMACWCGBBW-UHFFFAOYSA-N 0 0 234.274 2.767 10 30 BFEERN CCC[C@H](C#N)C(=O)N1CCC(CC)CC1 ZINC000044824360 187268063 /nfs/dbraw/zinc/26/80/63/187268063.db2.gz KOZASUOSWOUFOY-GFCCVEGCSA-N 0 0 222.332 2.575 10 30 BFEERN O=C1c2c(cccc2O)OC1=C1CCCC1 ZINC000204878811 343598343 /nfs/dbraw/zinc/59/83/43/343598343.db2.gz NNKWLHRITPVHDV-UHFFFAOYSA-N 0 0 216.236 2.795 10 30 BFEERN N#Cc1ccc(NCCC2=CCOCC2)c(F)c1 ZINC000158075549 133496913 /nfs/dbraw/zinc/49/69/13/133496913.db2.gz TYPADWPEKSNSKU-UHFFFAOYSA-N 0 0 246.285 2.846 10 30 BFEERN N#CCC(=O)c1cc(F)c(Cl)cc1F ZINC000135046853 343625779 /nfs/dbraw/zinc/62/57/79/343625779.db2.gz TZRSKOHMKNBWPV-UHFFFAOYSA-N 0 0 215.586 2.715 10 30 BFEERN C=CCNC(=S)SCCC(C)C ZINC000205854456 343657406 /nfs/dbraw/zinc/65/74/06/343657406.db2.gz VVDWIVHOMDGORT-UHFFFAOYSA-N 0 0 203.376 2.826 10 30 BFEERN C/C=C/C(=O)c1ccccc1C(=O)OCC ZINC000309517529 343662353 /nfs/dbraw/zinc/66/23/53/343662353.db2.gz VXZHNIALBDFWEN-XVNBXDOJSA-N 0 0 218.252 2.622 10 30 BFEERN CC(C)n1cc(C#N)c(=O)c2cc(F)c(F)cc21 ZINC000085346116 187269462 /nfs/dbraw/zinc/26/94/62/187269462.db2.gz IRLNYUMREUCUIT-UHFFFAOYSA-N 0 0 248.232 2.732 10 30 BFEERN C#CCC(=O)Cc1c(F)cccc1Cl ZINC000062351866 343739558 /nfs/dbraw/zinc/73/95/58/343739558.db2.gz ZCPOBEPIQCEXLA-UHFFFAOYSA-N 0 0 210.635 2.614 10 30 BFEERN CCCC(=O)O/N=C/c1cc(F)c(F)c(F)c1 ZINC000207653824 343725095 /nfs/dbraw/zinc/72/50/95/343725095.db2.gz CAHHHFHAEYLSBS-GIDUJCDVSA-N 0 0 245.200 2.781 10 30 BFEERN Cc1cc(C)c(C#N)c(-n2ccc(C3CC3)n2)n1 ZINC000052884207 187271495 /nfs/dbraw/zinc/27/14/95/187271495.db2.gz DEDUEYQXVFHTIA-UHFFFAOYSA-N 0 0 238.294 2.633 10 30 BFEERN COC(=O)N1CCCC[C@@H]1c1ccccc1C#N ZINC000616613460 349862513 /nfs/dbraw/zinc/86/25/13/349862513.db2.gz ZTCFWXMAIXSNOY-CYBMUJFWSA-N 0 0 244.294 2.852 10 30 BFEERN N#Cc1cnn(-c2ccc(F)cc2)c1Cl ZINC000066345483 187273991 /nfs/dbraw/zinc/27/39/91/187273991.db2.gz IUNUTIQMCPFGST-UHFFFAOYSA-N 0 0 221.622 2.536 10 30 BFEERN C#C[C@@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000409430549 343808783 /nfs/dbraw/zinc/80/87/83/343808783.db2.gz GZAJGEZQGRLLNE-LLVKDONJSA-N 0 0 235.327 2.657 10 30 BFEERN CC(C)c1cc(-c2ccsc2)nn1CC=O ZINC000409440725 343854358 /nfs/dbraw/zinc/85/43/58/343854358.db2.gz OJNHZEAAASYDIW-UHFFFAOYSA-N 0 0 234.324 2.934 10 30 BFEERN N#CCn1ccn2nc(C3CCCCC3)cc12 ZINC000409437146 343842171 /nfs/dbraw/zinc/84/21/71/343842171.db2.gz CRXUMWARMHFTNA-UHFFFAOYSA-N 0 0 228.299 2.707 10 30 BFEERN FCCCOC(F)(F)[C@H](F)C(F)(F)F ZINC000072265686 187276910 /nfs/dbraw/zinc/27/69/10/187276910.db2.gz CNWHQAFZRKHOBL-SCSAIBSYSA-N 0 0 228.107 2.856 10 30 BFEERN N#CCCc1c[nH]nc1-c1ccsc1 ZINC000409442209 343857252 /nfs/dbraw/zinc/85/72/52/343857252.db2.gz XNJQBTSJVJKEPF-UHFFFAOYSA-N 0 0 203.270 2.594 10 30 BFEERN FC(F)(F)c1ccnc(C#CC2CC2)c1 ZINC000585143901 343878763 /nfs/dbraw/zinc/87/87/63/343878763.db2.gz RXZXXQOSSMZJLH-UHFFFAOYSA-N 0 0 211.186 2.862 10 30 BFEERN O=CCn1nc(-c2cccs2)cc1C1CC1 ZINC000409441767 343861466 /nfs/dbraw/zinc/86/14/66/343861466.db2.gz UACWGYKVGBCCSK-UHFFFAOYSA-N 0 0 232.308 2.688 10 30 BFEERN N#CCc1cc(-c2ccsc2)nn1CCF ZINC000409443656 343862416 /nfs/dbraw/zinc/86/24/16/343862416.db2.gz QVMQSELSBJTEMV-UHFFFAOYSA-N 0 0 235.287 2.647 10 30 BFEERN N#Cc1ccc(Oc2ncncc2Cl)cc1F ZINC000302642667 187354578 /nfs/dbraw/zinc/35/45/78/187354578.db2.gz LNCIUDRNNRVWJA-UHFFFAOYSA-N 0 0 249.632 2.933 10 30 BFEERN C[C@@H](O)C#Cc1cc(Cl)cc(Cl)c1 ZINC000022203352 343926397 /nfs/dbraw/zinc/92/63/97/343926397.db2.gz BJTWTEIEJRIJHH-SSDOTTSWSA-N 0 0 215.079 2.726 10 30 BFEERN O=CCCSc1nc2ccccc2s1 ZINC000045236766 537837336 /nfs/dbraw/zinc/83/73/36/537837336.db2.gz BLWYEHIJXVGBRZ-UHFFFAOYSA-N 0 0 223.322 2.977 10 30 BFEERN C=CCc1c(Cl)nc2ccnn2c1Cl ZINC000167063819 344142900 /nfs/dbraw/zinc/14/29/00/344142900.db2.gz IGBMUABCHMECJL-UHFFFAOYSA-N 0 0 228.082 2.765 10 30 BFEERN CC[C@H](C#N)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247432543 344213746 /nfs/dbraw/zinc/21/37/46/344213746.db2.gz OULRLRIYKURFHP-AGIUHOORSA-N 0 0 234.343 2.621 10 30 BFEERN C[C@@H](C=O)Sc1cc2ccccc2[nH]1 ZINC000616571406 344180857 /nfs/dbraw/zinc/18/08/57/344180857.db2.gz GQNRLANMPIKDTO-QMMMGPOBSA-N 0 0 205.282 2.847 10 30 BFEERN C=CCC[C@H]1CCCC(C(=O)OCC)=C1O ZINC000197166748 344266259 /nfs/dbraw/zinc/26/62/59/344266259.db2.gz NBWDGGPAJJEMLO-QWRGUYRKSA-N 0 0 224.300 2.501 10 30 BFEERN C[C@]1(C(=O)/C=C/C=C/c2ccccc2)CO1 ZINC000309375847 347043968 /nfs/dbraw/zinc/04/39/68/347043968.db2.gz VBKAYJUJAKMNGY-NQAWDBEASA-N 0 0 214.264 2.614 10 30 BFEERN CC[C@@H]1CCCC[C@]1(O)C#CBr ZINC000142463523 344292833 /nfs/dbraw/zinc/29/28/33/344292833.db2.gz URXLSHPGJHEDKO-ZJUUUORDSA-N 0 0 231.133 2.674 10 30 BFEERN CC#CC[C@@H](O)c1ccc(F)c(Cl)c1 ZINC000062791895 347047748 /nfs/dbraw/zinc/04/77/48/347047748.db2.gz LLLFQKAVOGPXHJ-LLVKDONJSA-N 0 0 212.651 2.926 10 30 BFEERN Cc1cc2cc(OC[C@H]3CO3)ccc2o1 ZINC000220174206 344319684 /nfs/dbraw/zinc/31/96/84/344319684.db2.gz MHZARRKSCCBNFF-NSHDSACASA-N 0 0 204.225 2.519 10 30 BFEERN C#CC[C@@H]([NH2+]C)c1ccc(F)c(Cl)c1 ZINC000062792388 347048908 /nfs/dbraw/zinc/04/89/08/347048908.db2.gz VAITWVQBYYYWGX-LLVKDONJSA-N 0 0 211.667 2.763 10 30 BFEERN CCn1c(C(=O)CC#N)cc2ccccc21 ZINC000616591751 344405992 /nfs/dbraw/zinc/40/59/92/344405992.db2.gz QQKGBLOWQSJICD-UHFFFAOYSA-N 0 0 212.252 2.758 10 30 BFEERN C=C(Cl)Cn1cc2c(c1)[C@@H](O)CCC2 ZINC000135455905 344418739 /nfs/dbraw/zinc/41/87/39/344418739.db2.gz MMQGICWEPLLIKC-NSHDSACASA-N 0 0 211.692 2.610 10 30 BFEERN COc1cc2[nH]c(C(=O)CC#N)cc2cc1Cl ZINC000150303227 344450165 /nfs/dbraw/zinc/45/01/65/344450165.db2.gz ORXBNBJOTIERSP-UHFFFAOYSA-N 0 0 248.669 2.926 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1NCc1cccc(F)c1 ZINC000054824660 344456430 /nfs/dbraw/zinc/45/64/30/344456430.db2.gz HOWBTQQXNSEIJP-JSGCOSHPSA-N 0 0 232.302 2.998 10 30 BFEERN COc1ccccc1CN[C@@H]1CCCC[C@H]1C#N ZINC000054823113 344457720 /nfs/dbraw/zinc/45/77/20/344457720.db2.gz VOAYDDGIDYVGHY-GXTWGEPZSA-N 0 0 244.338 2.867 10 30 BFEERN Cc1nc(C#N)cc(CCC2CCCC2)n1 ZINC000409440693 344463052 /nfs/dbraw/zinc/46/30/52/344463052.db2.gz YPJGWURUBLTKNT-UHFFFAOYSA-N 0 0 215.300 2.780 10 30 BFEERN CC(C)Cn1ccn2nc(C3CC3)c(C#N)c12 ZINC000409437248 344463064 /nfs/dbraw/zinc/46/30/64/344463064.db2.gz FIPBMSGSMDXLSH-UHFFFAOYSA-N 0 0 228.299 2.541 10 30 BFEERN N#Cc1cc(Cc2cccs2)nc(C2CC2)n1 ZINC000409438435 344463403 /nfs/dbraw/zinc/46/34/03/344463403.db2.gz MUARTTVCDSORRQ-UHFFFAOYSA-N 0 0 241.319 2.878 10 30 BFEERN C[C@H](c1ccccc1)c1cc(C#N)ncn1 ZINC000409436610 344463440 /nfs/dbraw/zinc/46/34/40/344463440.db2.gz MVGROUIUOAJAEP-SNVBAGLBSA-N 0 0 209.252 2.500 10 30 BFEERN N#Cc1cc(Cc2ccccc2Cl)ncn1 ZINC000409436729 344463475 /nfs/dbraw/zinc/46/34/75/344463475.db2.gz YKCKZWKUSVKAAV-UHFFFAOYSA-N 0 0 229.670 2.592 10 30 BFEERN CCOC(=O)N1CCC[C@@H]1c1ccccc1C#N ZINC000616607672 344465429 /nfs/dbraw/zinc/46/54/29/344465429.db2.gz XKLKGFOWORFPMU-CYBMUJFWSA-N 0 0 244.294 2.852 10 30 BFEERN CC(C)[C@@H](C)N[C@@H](C#N)Cc1ccccc1 ZINC000381511560 344514720 /nfs/dbraw/zinc/51/47/20/344514720.db2.gz RDCBDMIPPWPVBR-TZMCWYRMSA-N 0 0 216.328 2.755 10 30 BFEERN N#CCc1ccc(F)c(OC(F)F)c1F ZINC000396126164 344609854 /nfs/dbraw/zinc/60/98/54/344609854.db2.gz MBFWITSPOYEAIR-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN N#CCc1cc(OC(F)F)c(F)cc1F ZINC000396127088 344610366 /nfs/dbraw/zinc/61/03/66/344610366.db2.gz OEOOYRKSOXEEFL-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN CC[C@H]1CC[C@@](Br)(C#N)C1 ZINC000127721762 344611801 /nfs/dbraw/zinc/61/18/01/344611801.db2.gz JBMVGDLRDZYXIN-YUMQZZPRSA-N 0 0 202.095 2.854 10 30 BFEERN N#Cc1ccc(N)c(Cl)c1OC(F)(F)F ZINC000396141911 344616331 /nfs/dbraw/zinc/61/63/31/344616331.db2.gz GOYZHBHAOPWMDO-UHFFFAOYSA-N 0 0 236.580 2.692 10 30 BFEERN CCOc1ccc(C#N)c(OC(F)(F)F)c1 ZINC000396117787 344607039 /nfs/dbraw/zinc/60/70/39/344607039.db2.gz LAPQPBNYUJFUNO-UHFFFAOYSA-N 0 0 231.173 2.856 10 30 BFEERN O=CCn1ccc2ccc(Br)cc21 ZINC000050166008 344650785 /nfs/dbraw/zinc/65/07/85/344650785.db2.gz INLYRXVFACRKRE-UHFFFAOYSA-N 0 0 238.084 2.603 10 30 BFEERN CC(C)(C)[S@@](=O)/N=C/c1ncccc1Cl ZINC000224193592 344658060 /nfs/dbraw/zinc/65/80/60/344658060.db2.gz BTUUNHWXZRCLLJ-MYWXAZLQSA-N 0 0 244.747 2.616 10 30 BFEERN N#CCc1nc(-c2ccsc2)cs1 ZINC000050338036 344674597 /nfs/dbraw/zinc/67/45/97/344674597.db2.gz MGBXOENIBIJQFG-UHFFFAOYSA-N 0 0 206.295 2.938 10 30 BFEERN N#C[C@H]1CCCC[C@H]1NC(=O)c1cccs1 ZINC000259854345 344694691 /nfs/dbraw/zinc/69/46/91/344694691.db2.gz GEPQHCPHYMWVEH-NXEZZACHSA-N 0 0 234.324 2.560 10 30 BFEERN N#Cc1ncc(-c2ccccc2Br)o1 ZINC000259980436 344702932 /nfs/dbraw/zinc/70/29/32/344702932.db2.gz IJQMDQOBVYBMRS-UHFFFAOYSA-N 0 0 249.067 2.976 10 30 BFEERN N#Cc1ccc(N2CCC3(CC3)C2)c(F)c1 ZINC000400453906 344715323 /nfs/dbraw/zinc/71/53/23/344715323.db2.gz OIKHQWVRJSWSAF-UHFFFAOYSA-N 0 0 216.259 2.688 10 30 BFEERN CC1(Nc2cc(C#N)cc(Cl)n2)CC1 ZINC000135573821 344757828 /nfs/dbraw/zinc/75/78/28/344757828.db2.gz AJJZKQXBXKMLLY-UHFFFAOYSA-N 0 0 207.664 2.571 10 30 BFEERN CCSC[C@@H](C)N(C)c1ncccc1C#N ZINC000074770538 344758975 /nfs/dbraw/zinc/75/89/75/344758975.db2.gz OFFRKDDBDGHZML-SNVBAGLBSA-N 0 0 235.356 2.531 10 30 BFEERN C[C@@H](C#N)[C@@H](O)c1ccc(F)cc1Cl ZINC000235105038 344788905 /nfs/dbraw/zinc/78/89/05/344788905.db2.gz RZPBHRMKUFIRLS-QUBYGPBYSA-N 0 0 213.639 2.672 10 30 BFEERN CCOC(=O)CC1([C@@H]2CO2)CCC(C)(C)CC1 ZINC000675052706 537860596 /nfs/dbraw/zinc/86/05/96/537860596.db2.gz IDSSEDUROGRWQB-NSHDSACASA-N 0 0 240.343 2.925 10 30 BFEERN Cc1ccc(NCC#N)cc1Br ZINC000057516872 178756714 /nfs/dbraw/zinc/75/67/14/178756714.db2.gz YTTWRKZULAYBBL-UHFFFAOYSA-N 0 0 225.089 2.693 10 30 BFEERN Cc1ccc(NCC#N)cc1C(F)(F)F ZINC000052684741 178757216 /nfs/dbraw/zinc/75/72/16/178757216.db2.gz IQSHNVYYGOZISM-UHFFFAOYSA-N 0 0 214.190 2.949 10 30 BFEERN C#C[C@H](C)N[C@@H](C)c1ccc(Br)o1 ZINC000166402406 344888806 /nfs/dbraw/zinc/88/88/06/344888806.db2.gz GRAQOIYMJBJVIV-YUMQZZPRSA-N 0 0 242.116 2.714 10 30 BFEERN C[C@@H]1SCC[C@]1(C#N)NCc1ccccc1 ZINC000235344405 344889094 /nfs/dbraw/zinc/88/90/94/344889094.db2.gz HCBYOIZZILXGBX-WCQYABFASA-N 0 0 232.352 2.564 10 30 BFEERN N#Cc1ccncc1Sc1nccs1 ZINC000135772889 344889107 /nfs/dbraw/zinc/88/91/07/344889107.db2.gz CISORKLVXVYMOY-UHFFFAOYSA-N 0 0 219.294 2.561 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1cc(F)cc(F)c1 ZINC000224371077 344904737 /nfs/dbraw/zinc/90/47/37/344904737.db2.gz LJRUZWNNOZYPJX-MFKMUULPSA-N 0 0 236.265 2.747 10 30 BFEERN C#C[C@H](C)Nc1ccc(Br)c(C)n1 ZINC000235540652 344936843 /nfs/dbraw/zinc/93/68/43/344936843.db2.gz VHLGJBVYXBHLMM-ZETCQYMHSA-N 0 0 239.116 2.586 10 30 BFEERN CC#CCCN1CCC[C@@H]1c1noc(C(C)C)n1 ZINC000155331906 187296913 /nfs/dbraw/zinc/29/69/13/187296913.db2.gz SYXMOPUNOGGRHH-GFCCVEGCSA-N 0 0 247.342 2.743 10 30 BFEERN C=CCN(C(=O)[C@@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000154014565 345008017 /nfs/dbraw/zinc/00/80/17/345008017.db2.gz SECCVUCUEMBRQB-OCCSQVGLSA-N 0 0 245.322 2.773 10 30 BFEERN N#Cc1cc(Cl)nc(OC(F)(F)F)c1 ZINC000238526243 345069786 /nfs/dbraw/zinc/06/97/86/345069786.db2.gz VDOZJWVSWZARLK-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#Cc1cc(OC(F)(F)F)cnc1Cl ZINC000238541402 345073450 /nfs/dbraw/zinc/07/34/50/345073450.db2.gz MCVKPGWZCODOCU-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN C=CCCCCCN(C)C(=O)[C@@H]1CC[C@@H](C)O1 ZINC000155966702 345114840 /nfs/dbraw/zinc/11/48/40/345114840.db2.gz VZNMJMRQCWFNAN-OLZOCXBDSA-N 0 0 239.359 2.759 10 30 BFEERN C=C[C@@]1(COCc2ccccc2)CC[C@@H](OC)O1 ZINC000225946159 345196116 /nfs/dbraw/zinc/19/61/16/345196116.db2.gz MXBZONPALQWKLH-GJZGRUSLSA-N 0 0 248.322 2.911 10 30 BFEERN N#CC1(Br)CCCCCC1 ZINC000127649916 345210595 /nfs/dbraw/zinc/21/05/95/345210595.db2.gz AYMABBMIZQUNMZ-UHFFFAOYSA-N 0 0 202.095 2.998 10 30 BFEERN CC1CCC(Br)(C#N)CC1 ZINC000127663412 345212205 /nfs/dbraw/zinc/21/22/05/345212205.db2.gz KLKPDGMSEUMKSS-UHFFFAOYSA-N 0 0 202.095 2.854 10 30 BFEERN C#C[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000095828691 166214022 /nfs/dbraw/zinc/21/40/22/166214022.db2.gz UAXNBQPQXSMBDC-GHMZBOCLSA-N 0 0 223.316 2.703 10 30 BFEERN C=CCOc1cccc([N+](=O)[O-])c1Cl ZINC000143958999 345288617 /nfs/dbraw/zinc/28/86/17/345288617.db2.gz IQHHCFJOVRXIFJ-UHFFFAOYSA-N 0 0 213.620 2.813 10 30 BFEERN C[Si](C)(C)C#Cc1ccc2c(c1)COCC2 ZINC000199971140 345448591 /nfs/dbraw/zinc/44/85/91/345448591.db2.gz KABGZQKGFPCEJC-UHFFFAOYSA-N 0 0 230.383 2.988 10 30 BFEERN C=C(Cl)CNc1cccc(Cl)n1 ZINC000229315412 345501650 /nfs/dbraw/zinc/50/16/50/345501650.db2.gz SVLDSWRWYSTUBW-UHFFFAOYSA-N 0 0 203.072 2.899 10 30 BFEERN C=C[C@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000229241769 345465107 /nfs/dbraw/zinc/46/51/07/345465107.db2.gz QWVWYCKQXAQDDM-ZETCQYMHSA-N 0 0 210.208 2.720 10 30 BFEERN Cc1ccc([C@H](C#N)C(=O)[C@@H]2CCCOC2)cc1 ZINC000062236233 178881504 /nfs/dbraw/zinc/88/15/04/178881504.db2.gz WNBSPZGIWILSLF-KGLIPLIRSA-N 0 0 243.306 2.598 10 30 BFEERN N#Cc1ccc2nc3ccccc3nc2c1 ZINC000032236315 345739679 /nfs/dbraw/zinc/73/96/79/345739679.db2.gz IWDIQIINIKFOEB-UHFFFAOYSA-N 0 0 205.220 2.655 10 30 BFEERN COc1cc(C)c([C@@H](C#N)C(C)=O)cc1C ZINC000033994276 345815031 /nfs/dbraw/zinc/81/50/31/345815031.db2.gz VQRCPADFMZSKFC-LBPRGKRZSA-N 0 0 217.268 2.508 10 30 BFEERN CC(C)=CCC[C@@H](C)CCOS(C)(=O)=O ZINC000034123673 345817875 /nfs/dbraw/zinc/81/78/75/345817875.db2.gz REOTWSUDNJILTP-LLVKDONJSA-N 0 0 234.361 2.735 10 30 BFEERN COc1ccc(N=C(C)CC(C)=O)cc1 ZINC000256159506 345766237 /nfs/dbraw/zinc/76/62/37/345766237.db2.gz KVXBWNALARBTOX-UHFFFAOYSA-N 0 0 205.257 2.767 10 30 BFEERN CCC=NNC(=S)Nc1ccc(C)cc1 ZINC000257351757 345773918 /nfs/dbraw/zinc/77/39/18/345773918.db2.gz GXMRYVRPEUQGAJ-UHFFFAOYSA-N 0 0 221.329 2.677 10 30 BFEERN C=C(C)Cc1c(OC)cccc1OCOC ZINC000164578450 345834081 /nfs/dbraw/zinc/83/40/81/345834081.db2.gz OTUMWPSPNBQKKD-UHFFFAOYSA-N 0 0 222.284 2.797 10 30 BFEERN SCCc1ccccc1Br ZINC000077308646 187360007 /nfs/dbraw/zinc/36/00/07/187360007.db2.gz AVFNPIZCKDSTBG-UHFFFAOYSA-N 0 0 217.131 2.921 10 30 BFEERN C[Si](C)(C)C#Cc1ccc2c(c1)CCC(=O)N2 ZINC000196159600 345840005 /nfs/dbraw/zinc/84/00/05/345840005.db2.gz WXNZIOHMKIEEFK-UHFFFAOYSA-N 0 0 243.382 2.800 10 30 BFEERN C[C@H]1C[C@@H](C(=O)NC2(C#N)CC2)CC(C)(C)C1 ZINC000181156703 345929175 /nfs/dbraw/zinc/92/91/75/345929175.db2.gz GJVIDTVKHOSYLM-WDEREUQCSA-N 0 0 234.343 2.621 10 30 BFEERN Cc1ccc2c(CCS)noc2c1C ZINC000031888731 178941069 /nfs/dbraw/zinc/94/10/69/178941069.db2.gz SCBGJCJHCRGPAR-UHFFFAOYSA-N 0 0 207.298 2.917 10 30 BFEERN Cc1ccc(-c2ccc(C#N)cn2)s1 ZINC000235892596 345958572 /nfs/dbraw/zinc/95/85/72/345958572.db2.gz XVZMTIOLINFYJA-UHFFFAOYSA-N 0 0 200.266 2.990 10 30 BFEERN C=CCNc1ccc(Br)c(C)n1 ZINC000235849420 345947737 /nfs/dbraw/zinc/94/77/37/345947737.db2.gz LLFQCAGDIMALIL-UHFFFAOYSA-N 0 0 227.105 2.750 10 30 BFEERN C=CC[C@H]1CN(Cc2ccccc2)CCC1=O ZINC000098178506 187362607 /nfs/dbraw/zinc/36/26/07/187362607.db2.gz FVQPGEUORCBSDI-AWEZNQCLSA-N 0 0 229.323 2.654 10 30 BFEERN Cc1nc(C)c(C(=O)C2=CCCCO2)s1 ZINC000235950210 346174134 /nfs/dbraw/zinc/17/41/34/346174134.db2.gz VMXJJHKVMKYSLQ-UHFFFAOYSA-N 0 0 223.297 2.637 10 30 BFEERN O=C(CCS)Nc1cccc(Cl)c1F ZINC000236158102 346200743 /nfs/dbraw/zinc/20/07/43/346200743.db2.gz FJMFVECBBBBHPH-UHFFFAOYSA-N 0 0 233.695 2.738 10 30 BFEERN C#CCNc1cc(Br)cnc1Cl ZINC000236045712 346186508 /nfs/dbraw/zinc/18/65/08/346186508.db2.gz DLUXNGUDRZYTAS-UHFFFAOYSA-N 0 0 245.507 2.543 10 30 BFEERN N#C[C@@H]1CCC[C@H]1SC1CCOCC1 ZINC000062054411 346194528 /nfs/dbraw/zinc/19/45/28/346194528.db2.gz DROUOMSPJFYVGL-GXSJLCMTSA-N 0 0 211.330 2.591 10 30 BFEERN N#C[C@H]1CCC[C@@H]1SC1CCOCC1 ZINC000062054412 346194529 /nfs/dbraw/zinc/19/45/29/346194529.db2.gz DROUOMSPJFYVGL-KOLCDFICSA-N 0 0 211.330 2.591 10 30 BFEERN C#CC[C@@H](NN)c1cc(Cl)sc1Cl ZINC000236283886 346220438 /nfs/dbraw/zinc/22/04/38/346220438.db2.gz BNFWPJIOXAGXJY-ZCFIWIBFSA-N 0 0 235.139 2.583 10 30 BFEERN O=C(c1ccc(Cl)nc1)C1=CCCCO1 ZINC000167520414 346258641 /nfs/dbraw/zinc/25/86/41/346258641.db2.gz IVUCZHAMMNGWSY-UHFFFAOYSA-N 0 0 223.659 2.612 10 30 BFEERN N=C(C(F)=C(NF)C(F)(F)F)C(F)(F)F ZINC000604221036 346288760 /nfs/dbraw/zinc/28/87/60/346288760.db2.gz NVIJZPWIYBXUOO-BFRDFHRYSA-N 0 0 242.069 2.576 10 30 BFEERN Cc1cccc(NC(=O)[C@H](C#N)C(C)C)c1 ZINC000044812062 179139688 /nfs/dbraw/zinc/13/96/88/179139688.db2.gz DJDSMGHUESTLCM-GFCCVEGCSA-N 0 0 216.284 2.729 10 30 BFEERN Cc1nn(C)c(Nc2cccc(C)c2C)c1C#N ZINC000104320327 179158861 /nfs/dbraw/zinc/15/88/61/179158861.db2.gz WCWAEFDZAXDVJH-UHFFFAOYSA-N 0 0 240.310 2.961 10 30 BFEERN Cc1cccc(Oc2cc(C#N)ccn2)c1N ZINC000035283721 179175532 /nfs/dbraw/zinc/17/55/32/179175532.db2.gz UCNFBSLNDPXCJD-UHFFFAOYSA-N 0 0 225.251 2.636 10 30 BFEERN Cc1cccc([C@@H](C#N)N2CCCC2)c1 ZINC000019934127 179176604 /nfs/dbraw/zinc/17/66/04/179176604.db2.gz OFHUPHGTZRIWKS-CYBMUJFWSA-N 0 0 200.285 2.656 10 30 BFEERN Cc1cccc([C@@H](C#N)NC2CC2)c1C ZINC000043315113 179177566 /nfs/dbraw/zinc/17/75/66/179177566.db2.gz WKFVKIAXMCDYNX-CYBMUJFWSA-N 0 0 200.285 2.620 10 30 BFEERN c1ccc(CO[C@@H]2CC[C@@H]3O[C@@H]3C2)cc1 ZINC000039306812 347189164 /nfs/dbraw/zinc/18/91/64/347189164.db2.gz ZKCGXZHSOARULJ-FRRDWIJNSA-N 0 0 204.269 2.523 10 30 BFEERN Cc1cccc([C@H](C#N)NCC2CC2)c1 ZINC000037946717 179192144 /nfs/dbraw/zinc/19/21/44/179192144.db2.gz QKKVIDGNVNXDBG-ZDUSSCGKSA-N 0 0 200.285 2.559 10 30 BFEERN CC(C)(C)[S@](=O)[C@H]1CCCC[C@H]1C#N ZINC000250590020 362810942 /nfs/dbraw/zinc/81/09/42/362810942.db2.gz KFGGYJHBFNUVOB-PKFCDNJMSA-N 0 0 213.346 2.616 10 30 BFEERN CCCC(=O)[C@H](C#N)c1cc(C)ccc1OC ZINC000036930970 168570940 /nfs/dbraw/zinc/57/09/40/168570940.db2.gz KBRXWNBNICWGBL-GFCCVEGCSA-N 0 0 231.295 2.980 10 30 BFEERN Cc1ccccc1/C=C1/C(=O)C2CCN1CC2 ZINC000100904621 179244293 /nfs/dbraw/zinc/24/42/93/179244293.db2.gz LMSJQSKYDJUIGD-UVTDQMKNSA-N 0 0 227.307 2.631 10 30 BFEERN C[Si](C)(C)C#C[C@H](O)c1cccs1 ZINC000197997987 347603975 /nfs/dbraw/zinc/60/39/75/347603975.db2.gz CGOBVVZNGUNXNZ-VIFPVBQESA-N 0 0 210.374 2.662 10 30 BFEERN COC(=O)CC1=CC(=O)C[C@@H](c2ccccc2)C1 ZINC000196105158 347800913 /nfs/dbraw/zinc/80/09/13/347800913.db2.gz OWSNBTDAKAEPJS-ZDUSSCGKSA-N 0 0 244.290 2.623 10 30 BFEERN Cc1ccccc1[C@@H](C#N)NCC(C)C ZINC000019987177 179315737 /nfs/dbraw/zinc/31/57/37/179315737.db2.gz UICPDHOXNRVZHA-CYBMUJFWSA-N 0 0 202.301 2.805 10 30 BFEERN Cc1ccccc1[C@@H](C#N)NCC(F)(F)F ZINC000037971011 179316427 /nfs/dbraw/zinc/31/64/27/179316427.db2.gz QKEVYIIFFHXMDX-SNVBAGLBSA-N 0 0 228.217 2.712 10 30 BFEERN Cc1ccccc1[C@@H](C)Nc1nccnc1C#N ZINC000054378035 179322884 /nfs/dbraw/zinc/32/28/84/179322884.db2.gz XELZJXLMVKKUBZ-LLVKDONJSA-N 0 0 238.294 2.830 10 30 BFEERN N#C[C@H]1CCC[C@H]1Sc1ccccn1 ZINC000037155187 348025293 /nfs/dbraw/zinc/02/52/93/348025293.db2.gz ARFBZQKGWVFQFF-NXEZZACHSA-N 0 0 204.298 2.866 10 30 BFEERN Cc1ccccc1[C@H](C)Nc1nccnc1C#N ZINC000054378037 179340593 /nfs/dbraw/zinc/34/05/93/179340593.db2.gz XELZJXLMVKKUBZ-NSHDSACASA-N 0 0 238.294 2.830 10 30 BFEERN C[C@@H](C=O)Sc1ccc(F)cc1F ZINC000616571415 348201496 /nfs/dbraw/zinc/20/14/96/348201496.db2.gz GVKHAZRXPBAGGZ-LURJTMIESA-N 0 0 202.225 2.644 10 30 BFEERN CC[C@H](C)N[C@]1(C#N)CCCS[C@H]1C ZINC000251348492 362865025 /nfs/dbraw/zinc/86/50/25/362865025.db2.gz LZBGFKLHOPTWBQ-DCAQKATOSA-N 0 0 212.362 2.552 10 30 BFEERN CCCN(CC)c1nc(C#N)ccc1Cl ZINC000669381973 538000297 /nfs/dbraw/zinc/00/02/97/538000297.db2.gz CFTYCRVDBZYCLF-UHFFFAOYSA-N 0 0 223.707 2.843 10 30 BFEERN Cc1nc(CN[C@H]2CCCC[C@H]2C#N)sc1C ZINC000595688983 348314639 /nfs/dbraw/zinc/31/46/39/348314639.db2.gz JQUWLSDSZWPDDI-RYUDHWBXSA-N 0 0 249.383 2.932 10 30 BFEERN C[C@@H]1CCCN(c2nc(C#N)ccc2Cl)C1 ZINC000669382076 538003479 /nfs/dbraw/zinc/00/34/79/538003479.db2.gz FUAMZLPJIIYZAG-SECBINFHSA-N 0 0 235.718 2.843 10 30 BFEERN Cc1cc(F)c(Br)c(CC#N)c1 ZINC000216524611 349989578 /nfs/dbraw/zinc/98/95/78/349989578.db2.gz GNFHFOOLXFHKQK-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN Cc1cc(C#N)cc(N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597145936 348670921 /nfs/dbraw/zinc/67/09/21/348670921.db2.gz DNNJBVFOIKYPCM-HUUCEWRRSA-N 0 0 242.322 2.846 10 30 BFEERN N#CCc1ccc(N[C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597084346 348655462 /nfs/dbraw/zinc/65/54/62/348655462.db2.gz SCCJQBRTQIZCNC-HUUCEWRRSA-N 0 0 242.322 2.732 10 30 BFEERN CC1CCN(c2nc(C#N)ccc2Cl)CC1 ZINC000669383709 538010114 /nfs/dbraw/zinc/01/01/14/538010114.db2.gz XHXBFJOLBGNWRQ-UHFFFAOYSA-N 0 0 235.718 2.843 10 30 BFEERN C=CC[C@@H](O)Cc1ccccc1Br ZINC000055334988 349091994 /nfs/dbraw/zinc/09/19/94/349091994.db2.gz VBNPMHWKPVEYKS-SNVBAGLBSA-N 0 0 241.128 2.929 10 30 BFEERN SCc1noc2c1COc1ccccc1-2 ZINC000725253975 538041799 /nfs/dbraw/zinc/04/17/99/538041799.db2.gz WIKQVHNCPGPZJZ-UHFFFAOYSA-N 0 0 219.265 2.664 10 30 BFEERN Cc1ccncc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000185868531 349376287 /nfs/dbraw/zinc/37/62/87/349376287.db2.gz SAAFSLSWEBDPTJ-NEPJUHHUSA-N 0 0 215.300 2.884 10 30 BFEERN CC#CC[C@H](O)c1ccc(Br)cc1 ZINC000051664667 350021781 /nfs/dbraw/zinc/02/17/81/350021781.db2.gz XWABZGVHUDWXFO-NSHDSACASA-N 0 0 239.112 2.896 10 30 BFEERN CC#CC[C@@H](O)Cc1cccc(Cl)c1 ZINC000051664703 350021922 /nfs/dbraw/zinc/02/19/22/350021922.db2.gz JXBORGJEPUTILN-GFCCVEGCSA-N 0 0 208.688 2.657 10 30 BFEERN COc1nsc(-c2ccccc2)c1C#N ZINC000003637494 350083358 /nfs/dbraw/zinc/08/33/58/350083358.db2.gz CPBWIWXFEUMBTJ-UHFFFAOYSA-N 0 0 216.265 2.690 10 30 BFEERN C=CC[C@@H]1CCC(=O)N1Cc1ccccc1 ZINC000038763000 350112048 /nfs/dbraw/zinc/11/20/48/350112048.db2.gz JOSBUBXTEDGROG-CYBMUJFWSA-N 0 0 215.296 2.754 10 30 BFEERN COc1cc([C@H]2CC/C2=N\O)c(OC)cc1C ZINC000218331949 350089228 /nfs/dbraw/zinc/08/92/28/350089228.db2.gz KCAPWOQRZJMRJX-OFVMIXNHSA-N 0 0 235.283 2.720 10 30 BFEERN O=CC1(c2ccc(C(F)(F)F)nc2)CCC1 ZINC000218379286 350091891 /nfs/dbraw/zinc/09/18/91/350091891.db2.gz GJLSMPQTHYEANL-UHFFFAOYSA-N 0 0 229.201 2.721 10 30 BFEERN Cc1nc(N[C@@H](C)C(C)C)ccc1C#N ZINC000291573008 180021832 /nfs/dbraw/zinc/02/18/32/180021832.db2.gz FDBNITCEGVAQAH-VIFPVBQESA-N 0 0 203.289 2.718 10 30 BFEERN C=C(CCCCCC(=O)OC)CCC(=O)OC ZINC000038954174 350114143 /nfs/dbraw/zinc/11/41/43/350114143.db2.gz ZVBGXUBCHYNABK-UHFFFAOYSA-N 0 0 242.315 2.619 10 30 BFEERN C=CCc1c(O)c(C)cc2c(C)cc(=O)oc21 ZINC000039477203 350116976 /nfs/dbraw/zinc/11/69/76/350116976.db2.gz JNBUPTZEQSSROS-UHFFFAOYSA-N 0 0 230.263 2.844 10 30 BFEERN C=CCN(CC=C)c1ccnc(Cl)c1 ZINC000409428865 350136982 /nfs/dbraw/zinc/13/69/82/350136982.db2.gz PJERJUUUOZNUGK-UHFFFAOYSA-N 0 0 208.692 2.913 10 30 BFEERN Cc1nc2ccccc2n1-c1cc(C#N)ccn1 ZINC000019431807 180102192 /nfs/dbraw/zinc/10/21/92/180102192.db2.gz YYGQZKIAAWDKNM-UHFFFAOYSA-N 0 0 234.262 2.601 10 30 BFEERN CCCCCCCCC(=O)C(=O)OCC ZINC000100181045 191062308 /nfs/dbraw/zinc/06/23/08/191062308.db2.gz OCUDNGDEJLEQFG-UHFFFAOYSA-N 0 0 214.305 2.869 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1n1cc(Cl)cn1 ZINC000038053528 350300193 /nfs/dbraw/zinc/30/01/93/350300193.db2.gz XYDSBESPPIGNTE-WPRPVWTQSA-N 0 0 209.680 2.791 10 30 BFEERN Cc1ccnc(CN[C@@H]2CCCC[C@@H]2C#N)c1 ZINC000328151592 350376685 /nfs/dbraw/zinc/37/66/85/350376685.db2.gz FLDYIUUQHFWWQX-TZMCWYRMSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1nn(C)c(C)c1[C@H](C#N)NC1CCCCC1 ZINC000037969555 180348897 /nfs/dbraw/zinc/34/88/97/180348897.db2.gz NGQZMECRQXKBCZ-ZDUSSCGKSA-N 0 0 246.358 2.524 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)CCC1CCCC1 ZINC000061888584 350531803 /nfs/dbraw/zinc/53/18/03/350531803.db2.gz MPXGDBJEUJHNSU-OLZOCXBDSA-N 0 0 234.343 2.765 10 30 BFEERN N#Cc1cccc([C@H]2CCCCCN2C(N)=O)c1 ZINC000616605978 350796348 /nfs/dbraw/zinc/79/63/48/350796348.db2.gz TVCLQMXUFXDHSY-CYBMUJFWSA-N 0 0 243.310 2.554 10 30 BFEERN O=C1C=CO[C@@H](c2ccsc2Cl)C1 ZINC000306703769 350851003 /nfs/dbraw/zinc/85/10/03/350851003.db2.gz BFQSVFIVBXHMJZ-MRVPVSSYSA-N 0 0 214.673 2.946 10 30 BFEERN O=C1C=CO[C@H](c2ccsc2Cl)C1 ZINC000306703770 350851375 /nfs/dbraw/zinc/85/13/75/350851375.db2.gz BFQSVFIVBXHMJZ-QMMMGPOBSA-N 0 0 214.673 2.946 10 30 BFEERN COC(=O)N1CCCC[C@H]1c1ccc(C#N)cc1 ZINC000616616648 350856714 /nfs/dbraw/zinc/85/67/14/350856714.db2.gz MPMJZEHACPFDJV-ZDUSSCGKSA-N 0 0 244.294 2.852 10 30 BFEERN CC1CCC(C=O)(C[C@H]2CCCO2)CC1 ZINC000306730092 350899967 /nfs/dbraw/zinc/89/99/67/350899967.db2.gz PFSVPNDFAKSRCM-OTTFEQOBSA-N 0 0 210.317 2.951 10 30 BFEERN COC(=O)N1CCC[C@@H](c2ccccc2C#N)C1 ZINC000616618241 350884156 /nfs/dbraw/zinc/88/41/56/350884156.db2.gz KBUSQDMKIQBWFG-GFCCVEGCSA-N 0 0 244.294 2.504 10 30 BFEERN COc1ccc(F)cc1C1=CCCC1=O ZINC000306721130 350888620 /nfs/dbraw/zinc/88/86/20/350888620.db2.gz DGKFDAKGLHROIA-UHFFFAOYSA-N 0 0 206.216 2.581 10 30 BFEERN C[C@H]1CCC[C@]1(C=O)Cc1cscn1 ZINC000306722543 350889220 /nfs/dbraw/zinc/88/92/20/350889220.db2.gz FRBGPENGLVOVKI-GXSJLCMTSA-N 0 0 209.314 2.691 10 30 BFEERN C[C@H](C#N)N1CCc2sccc2[C@H]1C ZINC000251263710 350893661 /nfs/dbraw/zinc/89/36/61/350893661.db2.gz YUIKDWWEQQTQTQ-RKDXNWHRSA-N 0 0 206.314 2.579 10 30 BFEERN CC(C)(C)C#CC[C@]1(C=O)CCCS1 ZINC000306726299 350895548 /nfs/dbraw/zinc/89/55/48/350895548.db2.gz LYBALNOIIWRKHW-GFCCVEGCSA-N 0 0 210.342 2.891 10 30 BFEERN COc1ccsc1CN[C@H]1CCC[C@H]1C#N ZINC000336691705 350992106 /nfs/dbraw/zinc/99/21/06/350992106.db2.gz KSPRRYQUWSOQPQ-UWVGGRQHSA-N 0 0 236.340 2.539 10 30 BFEERN Cc1nc(-c2nc(CCS)cs2)co1 ZINC000306790330 351039348 /nfs/dbraw/zinc/03/93/48/351039348.db2.gz VLMLXMIBZJHIBN-UHFFFAOYSA-N 0 0 226.326 2.579 10 30 BFEERN CC(=O)N1CCC[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616629643 351100896 /nfs/dbraw/zinc/10/08/96/351100896.db2.gz YXVSMZWUFUFGQM-CQSZACIVSA-N 0 0 242.322 2.674 10 30 BFEERN CC(=O)N1CCCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616628295 351097739 /nfs/dbraw/zinc/09/77/39/351097739.db2.gz ITKFRUQQTSISQV-OAHLLOKOSA-N 0 0 242.322 2.674 10 30 BFEERN N#CCCNc1cc(F)cc(Br)c1 ZINC000306832104 351144796 /nfs/dbraw/zinc/14/47/96/351144796.db2.gz NRIUOKYIVYYFFW-UHFFFAOYSA-N 0 0 243.079 2.914 10 30 BFEERN C[C@@H](C#N)C(=O)c1cccc(Br)c1 ZINC000034975754 351370691 /nfs/dbraw/zinc/37/06/91/351370691.db2.gz AZSPAXVKKWYCQA-ZETCQYMHSA-N 0 0 238.084 2.791 10 30 BFEERN Cc1ccc([N+](=O)[O-])c(C#N)c1Br ZINC000307023308 351427502 /nfs/dbraw/zinc/42/75/02/351427502.db2.gz FAIRDUVUNVFYJA-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN N#CCc1cc(F)cc(C(F)F)c1F ZINC000307039389 351437469 /nfs/dbraw/zinc/43/74/69/351437469.db2.gz HDSPNBQTWSIBBG-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN N#CCc1c(F)ccc(C(F)F)c1F ZINC000307037329 351439209 /nfs/dbraw/zinc/43/92/09/351439209.db2.gz DTEQNYHSNLJPNF-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN C[C@H]1Cc2nc(Cl)c(C#N)cc2[C@H](C)O1 ZINC000133627308 351414244 /nfs/dbraw/zinc/41/42/44/351414244.db2.gz HVIKXUNMVPSDOU-BQBZGAKWSA-N 0 0 222.675 2.629 10 30 BFEERN C#C[C@](C)(CC)Oc1ncnc(Cl)c1C ZINC000307074119 351464581 /nfs/dbraw/zinc/46/45/81/351464581.db2.gz JZTZZVPZRXDDRA-LLVKDONJSA-N 0 0 224.691 2.619 10 30 BFEERN C#C[C@@H](Nc1ncc(Cl)cc1F)C(C)C ZINC000300865011 363074636 /nfs/dbraw/zinc/07/46/36/363074636.db2.gz GWTQTJDGOKVBOO-SNVBAGLBSA-N 0 0 226.682 2.944 10 30 BFEERN C[C@@H](C#N)CNc1ccsc1Cl ZINC000307203811 351605520 /nfs/dbraw/zinc/60/55/20/351605520.db2.gz DJECQCJBKBSCCI-LURJTMIESA-N 0 0 200.694 2.973 10 30 BFEERN O=C[C@H]1CC[C@H](c2c(F)cccc2Cl)O1 ZINC000307206662 351609491 /nfs/dbraw/zinc/60/94/91/351609491.db2.gz HSYQWHQOVYEEBG-GMSGAONNSA-N 0 0 228.650 2.898 10 30 BFEERN Cc1cc(F)ccc1[C@@H]1CC[C@@H](C=O)O1 ZINC000307215106 351615462 /nfs/dbraw/zinc/61/54/62/351615462.db2.gz AVJVQZZGAWLPKA-JQWIXIFHSA-N 0 0 208.232 2.553 10 30 BFEERN Cc1cc(F)ccc1[C@H]1CC[C@H](C=O)O1 ZINC000307215109 351618104 /nfs/dbraw/zinc/61/81/04/351618104.db2.gz AVJVQZZGAWLPKA-ZYHUDNBSSA-N 0 0 208.232 2.553 10 30 BFEERN CC1(C)CC[C@H](C[C@]2(C=O)CCCS2)O1 ZINC000307256571 351789463 /nfs/dbraw/zinc/78/94/63/351789463.db2.gz CGFSRWYJMZMCTH-PWSUYJOCSA-N 0 0 228.357 2.799 10 30 BFEERN CC1(C)CC[C@H](C[C@@]2(C=O)CCCS2)O1 ZINC000307256572 351789698 /nfs/dbraw/zinc/78/96/98/351789698.db2.gz CGFSRWYJMZMCTH-ZYHUDNBSSA-N 0 0 228.357 2.799 10 30 BFEERN C=CCc1c(C=O)ccc(OC)c1OCC ZINC000034580679 187546363 /nfs/dbraw/zinc/54/63/63/187546363.db2.gz VUNRDSCEYVPEKB-UHFFFAOYSA-N 0 0 220.268 2.635 10 30 BFEERN C[C@H](C#N)C(=O)c1cscc1Br ZINC000404757802 352047529 /nfs/dbraw/zinc/04/75/29/352047529.db2.gz CMJSGNGUAGIFHJ-RXMQYKEDSA-N 0 0 244.113 2.853 10 30 BFEERN CC[C@H]1CC(=O)/C(=C/c2ccccc2)O1 ZINC000039100759 187592901 /nfs/dbraw/zinc/59/29/01/187592901.db2.gz GTVBAXHUSAOJLM-LFTLCWSBSA-N 0 0 202.253 2.796 10 30 BFEERN C=C(C)C(=O)c1nscc1Br ZINC000404765889 352092393 /nfs/dbraw/zinc/09/23/93/352092393.db2.gz MHFOUBPJOSZKGU-UHFFFAOYSA-N 0 0 232.102 2.664 10 30 BFEERN N#Cc1ccc(/C=C\Br)cc1 ZINC000075615268 187616139 /nfs/dbraw/zinc/61/61/39/187616139.db2.gz VYWMRUNSZWVTKD-WAYWQWQTSA-N 0 0 208.058 2.924 10 30 BFEERN C=C[C@H](C)N(CCC#N)c1ccccc1 ZINC000052142125 187639223 /nfs/dbraw/zinc/63/92/23/187639223.db2.gz LOVLWPPAUOUPST-LBPRGKRZSA-N 0 0 200.285 2.981 10 30 BFEERN CC[C@@H](C#N)C(=O)N[C@@H](C)c1ccccc1C ZINC000044825675 352442708 /nfs/dbraw/zinc/44/27/08/352442708.db2.gz YODAVISPXVCDLO-RYUDHWBXSA-N 0 0 230.311 2.722 10 30 BFEERN C#CC[C@H](C)Nc1ncc(Cl)s1 ZINC000307462225 352611069 /nfs/dbraw/zinc/61/10/69/352611069.db2.gz FYIGFDXJUISICE-LURJTMIESA-N 0 0 200.694 2.620 10 30 BFEERN CCCCCCOc1ccccc1/C(N)=N/O ZINC000020516259 168673324 /nfs/dbraw/zinc/67/33/24/168673324.db2.gz SWSQUDAQFQHPHX-UHFFFAOYSA-N 0 0 236.315 2.740 10 30 BFEERN C[C@@H]1CCCC[C@@]1(C=O)C[C@@H]1CCOC1 ZINC000307466833 352615946 /nfs/dbraw/zinc/61/59/46/352615946.db2.gz OKBRYJFEXOIPMO-AGIUHOORSA-N 0 0 210.317 2.808 10 30 BFEERN C[C@@H]1CCCC[C@]1(C=O)C[C@@H]1CCOC1 ZINC000307466834 352616299 /nfs/dbraw/zinc/61/62/99/352616299.db2.gz OKBRYJFEXOIPMO-FRRDWIJNSA-N 0 0 210.317 2.808 10 30 BFEERN N#CCCNc1cc(F)ccc1Br ZINC000232247210 352576253 /nfs/dbraw/zinc/57/62/53/352576253.db2.gz DKXUBFRINNUZRG-UHFFFAOYSA-N 0 0 243.079 2.914 10 30 BFEERN CC[C@@H](C#N)Nc1cncc(Br)c1 ZINC000300940399 352579642 /nfs/dbraw/zinc/57/96/42/352579642.db2.gz NEKICMLNEWIRHW-QMMMGPOBSA-N 0 0 240.104 2.558 10 30 BFEERN Cc1ccc([C@]2(C)CCC[C@H](C=O)O2)o1 ZINC000307563773 352652779 /nfs/dbraw/zinc/65/27/79/352652779.db2.gz XVKMYHYGFRDLGJ-PWSUYJOCSA-N 0 0 208.257 2.571 10 30 BFEERN C[C@H]1CC[C@@]1(C#N)NCc1cccs1 ZINC000307567557 352653565 /nfs/dbraw/zinc/65/35/65/352653565.db2.gz QWUIAUHQIMQARF-ONGXEEELSA-N 0 0 206.314 2.530 10 30 BFEERN C[C@H]1CC[C@]1(C#N)NCc1cccs1 ZINC000307567553 352653643 /nfs/dbraw/zinc/65/36/43/352653643.db2.gz QWUIAUHQIMQARF-GXSJLCMTSA-N 0 0 206.314 2.530 10 30 BFEERN Brc1cc(N=NCC2CC2)ccn1 ZINC000307523359 352634290 /nfs/dbraw/zinc/63/42/90/352634290.db2.gz CHXMXXIZPREIBV-WUXMJOGZSA-N 0 0 240.104 2.652 10 30 BFEERN N#CC1(Nc2ccccc2Br)CC1 ZINC000232460704 352718951 /nfs/dbraw/zinc/71/89/51/352718951.db2.gz XXJPNNBADXCFSC-UHFFFAOYSA-N 0 0 237.100 2.917 10 30 BFEERN C[C@]1(c2ccsc2)CCC[C@@H](C=O)O1 ZINC000307648042 352737728 /nfs/dbraw/zinc/73/77/28/352737728.db2.gz FZYIEPOLROXRLZ-WDEREUQCSA-N 0 0 210.298 2.731 10 30 BFEERN N#CCC(=O)c1csc(Br)c1 ZINC000232484748 352746973 /nfs/dbraw/zinc/74/69/73/352746973.db2.gz URCIJFGIYSWOEG-UHFFFAOYSA-N 0 0 230.086 2.607 10 30 BFEERN N#CC1(CN2CCCC[C@H]2c2nccs2)CC1 ZINC000334278883 352912559 /nfs/dbraw/zinc/91/25/59/352912559.db2.gz URGJOSNXQKLRDZ-NSHDSACASA-N 0 0 247.367 2.974 10 30 BFEERN O=C(Cc1cccs1)C1=COCCC1 ZINC000160011323 352914396 /nfs/dbraw/zinc/91/43/96/352914396.db2.gz SBPJESRGOWMJHC-UHFFFAOYSA-N 0 0 208.282 2.554 10 30 BFEERN CSc1ccc([C@@H](C#N)NC2CC2)cc1 ZINC000036924759 187931080 /nfs/dbraw/zinc/93/10/80/187931080.db2.gz KZINVUTZRHRQSN-GFCCVEGCSA-N 0 0 218.325 2.725 10 30 BFEERN Cc1cccnc1CC1(C=O)CCCC1 ZINC000306468584 353016667 /nfs/dbraw/zinc/01/66/67/353016667.db2.gz NZJXJYNMQVUIEI-UHFFFAOYSA-N 0 0 203.285 2.692 10 30 BFEERN N#C[C@]1(NC2CCCC2)CCOc2ccccc21 ZINC000037968518 187942095 /nfs/dbraw/zinc/94/20/95/187942095.db2.gz DEMIKIAKIFNKRI-OAHLLOKOSA-N 0 0 242.322 2.720 10 30 BFEERN CCC[C@@]1(C#N)COc2ccccc2O1 ZINC000225007695 323946878 /nfs/dbraw/zinc/94/68/78/323946878.db2.gz HGLGNWSEGSCQBB-GFCCVEGCSA-N 0 0 203.241 2.520 10 30 BFEERN N#C[C@@H]1CC[C@@H](Nc2ncc(Cl)s2)C1 ZINC000306219078 352996497 /nfs/dbraw/zinc/99/64/97/352996497.db2.gz MERJOMVOVGEXQH-RNFRBKRXSA-N 0 0 227.720 2.901 10 30 BFEERN COc1ccc(C[C@@H]2COCC[C@@H]2S)cc1 ZINC000095076285 187974045 /nfs/dbraw/zinc/97/40/45/187974045.db2.gz SIFQRAYZROMASP-YPMHNXCESA-N 0 0 238.352 2.573 10 30 BFEERN C/C=C/COCCOc1ccc(C#N)cc1 ZINC000051173867 187953613 /nfs/dbraw/zinc/95/36/13/187953613.db2.gz ZWDMBXMOKVRZRN-NSCUHMNNSA-N 0 0 217.268 2.530 10 30 BFEERN N#Cc1cccc(-n2ccnc2Br)c1 ZINC000075842605 187962665 /nfs/dbraw/zinc/96/26/65/187962665.db2.gz MFXUAZKZNBGVIC-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN C[C@@]1(Cc2ccc(Cl)cc2)O[C@H]1C#N ZINC000307743908 353122883 /nfs/dbraw/zinc/12/28/83/353122883.db2.gz NLHVGGNQNWUOIJ-QWRGUYRKSA-N 0 0 207.660 2.564 10 30 BFEERN C#Cc1cccc(NC(=O)/C=C\C=C\C)c1 ZINC000033560777 188011767 /nfs/dbraw/zinc/01/17/67/188011767.db2.gz YOHGOTWMKYWGNM-IYNMRSRQSA-N 0 0 211.264 2.739 10 30 BFEERN CC(C)(C)Oc1ccc(C=O)cc1C#N ZINC000232556447 353127912 /nfs/dbraw/zinc/12/79/12/353127912.db2.gz GMHLIPBGUTXLLD-UHFFFAOYSA-N 0 0 203.241 2.548 10 30 BFEERN C#CCOc1ccc2sc(C)nc2c1 ZINC000045237434 188043820 /nfs/dbraw/zinc/04/38/20/188043820.db2.gz YHDPUCXJGQSMJA-UHFFFAOYSA-N 0 0 203.266 2.617 10 30 BFEERN CC#CCNc1nc(Cl)nc2sccc21 ZINC000229322249 353120745 /nfs/dbraw/zinc/12/07/45/353120745.db2.gz XGCYMUSWSNFDNW-UHFFFAOYSA-N 0 0 237.715 2.780 10 30 BFEERN C=CCOc1ccc(Cl)cc1[C@H](C)O ZINC000041226547 188042852 /nfs/dbraw/zinc/04/28/52/188042852.db2.gz AYIQBFZIMCJBCD-QMMMGPOBSA-N 0 0 212.676 2.958 10 30 BFEERN C=CCCC(=O)N(C)[C@H](C)c1ccc(O)cc1 ZINC000054400331 188048695 /nfs/dbraw/zinc/04/86/95/188048695.db2.gz BXCIXCWBSKFUHA-LLVKDONJSA-N 0 0 233.311 2.878 10 30 BFEERN C=Cc1cncc(C#Cc2csc(C)n2)c1 ZINC000013680962 188051799 /nfs/dbraw/zinc/05/17/99/188051799.db2.gz BZJCMXLEGBDDGI-UHFFFAOYSA-N 0 0 226.304 2.889 10 30 in-vivo BFEERN C=C(C)C[C@H](O)C(Cl)(Cl)Cl ZINC000005158305 188052134 /nfs/dbraw/zinc/05/21/34/188052134.db2.gz LWWJZSNCITZYEB-YFKPBYRVSA-N 0 0 203.496 2.684 10 30 BFEERN CC(=NN)c1cc(Br)sc1C ZINC000307856459 353150111 /nfs/dbraw/zinc/15/01/11/353150111.db2.gz DWJUNGQRPVRVKD-UHFFFAOYSA-N 0 0 233.134 2.502 10 30 BFEERN C#Cc1cccc(NC(=O)c2ccc(N)cc2)c1 ZINC000019426108 188232072 /nfs/dbraw/zinc/23/20/72/188232072.db2.gz HDUSDPRYBWJXQO-UHFFFAOYSA-N 0 0 236.274 2.502 10 30 BFEERN C#CC[C@H](O)c1ccc(Br)c(F)c1 ZINC000161541945 353286590 /nfs/dbraw/zinc/28/65/90/353286590.db2.gz BNHDAUPPPHGAFQ-JTQLQIEISA-N 0 0 243.075 2.645 10 30 BFEERN FC(F)=C(F)C(F)(F)[C@]1(F)OC1(F)F ZINC000100063255 188271572 /nfs/dbraw/zinc/27/15/72/188271572.db2.gz ZHOFEJCLMUIOIW-BYPYZUCNSA-N 0 0 228.038 2.988 10 30 BFEERN Cc1ccc(/C=N/n2c(C)cc(C)cc2=O)cc1 ZINC000000492285 188273374 /nfs/dbraw/zinc/27/33/74/188273374.db2.gz OTOMKYIDTQHDCN-MHWRWJLKSA-N 0 0 240.306 2.656 10 30 BFEERN C/C(=N\O)c1ccc(NC(=O)C2CCC2)cc1 ZINC000019436909 188280705 /nfs/dbraw/zinc/28/07/05/188280705.db2.gz CWZSTLNCMRNPPD-OQLLNIDSSA-N 0 0 232.283 2.623 10 30 BFEERN C/C(=N\O)c1ccc(OCc2ccccn2)cc1 ZINC000019422132 188280989 /nfs/dbraw/zinc/28/09/89/188280989.db2.gz YMWIBIHRAGZLAY-LFIBNONCSA-N 0 0 242.278 2.859 10 30 BFEERN CC(=O)Nc1cccc(/N=C\c2ccc[nH]2)c1 ZINC000017110516 188281100 /nfs/dbraw/zinc/28/11/00/188281100.db2.gz CREXIJQFMZOIIA-DHDCSXOGSA-N 0 0 227.267 2.724 10 30 BFEERN C/C(=N\O)c1ccc(NC(=O)c2ccoc2)cc1 ZINC000019517132 188281793 /nfs/dbraw/zinc/28/17/93/188281793.db2.gz HJXSXBHWXUNCRH-OQLLNIDSSA-N 0 0 244.250 2.730 10 30 BFEERN N#C[C@H](NC1CC1)c1ccc(OC(F)F)cc1 ZINC000036924805 188286333 /nfs/dbraw/zinc/28/63/33/188286333.db2.gz WXKWPODPCNMMAC-NSHDSACASA-N 0 0 238.237 2.605 10 30 BFEERN CC(C)COc1ccc(C#N)cc1[N+](=O)[O-] ZINC000039365996 188291639 /nfs/dbraw/zinc/29/16/39/188291639.db2.gz UHZDFRGLXAFRPP-UHFFFAOYSA-N 0 0 220.228 2.501 10 30 BFEERN CC(C)C[C@H](C)N(C)c1ccc(C#N)cn1 ZINC000055387581 188301270 /nfs/dbraw/zinc/30/12/70/188301270.db2.gz KYVLTVAXHDFJBN-NSHDSACASA-N 0 0 217.316 2.824 10 30 BFEERN N#CCSc1nccn1C1CCCC1 ZINC000057494986 188301765 /nfs/dbraw/zinc/30/17/65/188301765.db2.gz UQNCDFUXMXEASA-UHFFFAOYSA-N 0 0 207.302 2.614 10 30 BFEERN Cc1ccc(C(=O)CN(C)[C@H](C)CC#N)c(C)c1 ZINC000063087388 188304292 /nfs/dbraw/zinc/30/42/92/188304292.db2.gz XJIHZTGURMHRAM-CYBMUJFWSA-N 0 0 244.338 2.720 10 30 BFEERN C=C(C)CC(=O)[C@@H]1COc2ccccc21 ZINC000128793773 353304749 /nfs/dbraw/zinc/30/47/49/353304749.db2.gz SXMVBDYCJLREFI-LLVKDONJSA-N 0 0 202.253 2.698 10 30 BFEERN N#Cc1c(OC2CC2)ccnc1C(F)(F)F ZINC000095734700 188320859 /nfs/dbraw/zinc/32/08/59/188320859.db2.gz QCSTYPFHVNDZLQ-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN C=CCOc1cccc(NC(=O)N[C@H]2C[C@@H]2C)c1 ZINC000076035577 353330932 /nfs/dbraw/zinc/33/09/32/353330932.db2.gz IYDHGRPPLBOORR-GWCFXTLKSA-N 0 0 246.310 2.781 10 30 BFEERN N#CCC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F ZINC000129500005 353319924 /nfs/dbraw/zinc/31/99/24/353319924.db2.gz MMEIIJLQBPDEBZ-HTQZYQBOSA-N 0 0 219.206 2.838 10 30 BFEERN N#Cc1cnccc1SC(F)(F)F ZINC000091252742 188319456 /nfs/dbraw/zinc/31/94/56/188319456.db2.gz KIWFBSMOOASFRY-UHFFFAOYSA-N 0 0 204.176 2.565 10 30 BFEERN C=C(Br)CSc1ccc(N)nc1 ZINC000037681584 188325458 /nfs/dbraw/zinc/32/54/58/188325458.db2.gz GFAKAJHLJKQKJI-UHFFFAOYSA-N 0 0 245.145 2.665 10 30 BFEERN CCc1nccn1-c1c(C#N)cnc2ccccc21 ZINC000048821919 188327769 /nfs/dbraw/zinc/32/77/69/188327769.db2.gz ZWQKPUVRZIMQRS-UHFFFAOYSA-N 0 0 248.289 2.855 10 30 BFEERN C=C[C@@H](C)N(CCC#N)c1ccccc1 ZINC000052142128 188332576 /nfs/dbraw/zinc/33/25/76/188332576.db2.gz LOVLWPPAUOUPST-GFCCVEGCSA-N 0 0 200.285 2.981 10 30 BFEERN C#CCC[C@@H](O)c1cc(Cl)ccc1F ZINC000163277421 353347580 /nfs/dbraw/zinc/34/75/80/353347580.db2.gz KQEHFADNDCRKCB-LLVKDONJSA-N 0 0 212.651 2.926 10 30 BFEERN CC(C)[C@H](C#N)N[C@@H](C)c1ccccc1 ZINC000057491340 188355971 /nfs/dbraw/zinc/35/59/71/188355971.db2.gz WJAKQMNUCFVBDO-AAEUAGOBSA-N 0 0 202.301 2.885 10 30 BFEERN N#Cc1cccc(CN2CCc3ccc(N)cc32)c1 ZINC000019875061 188351905 /nfs/dbraw/zinc/35/19/05/188351905.db2.gz ZVKYSBVQFWYOGP-UHFFFAOYSA-N 0 0 249.317 2.703 10 30 BFEERN N#CCCN[C@@H]1CCSc2ccccc21 ZINC000020199751 188352376 /nfs/dbraw/zinc/35/23/76/188352376.db2.gz DZDFASBWWWQNPP-LLVKDONJSA-N 0 0 218.325 2.727 10 30 BFEERN C#CCNC(=O)N[C@H]1CC[C@H](C)c2ccccc21 ZINC000132841680 353389497 /nfs/dbraw/zinc/38/94/97/353389497.db2.gz QRAQZUHVCIZUHC-FZMZJTMJSA-N 0 0 242.322 2.557 10 30 BFEERN CC(C)[C@H](C#N)N[C@H](C)c1ccccc1 ZINC000057491344 188355636 /nfs/dbraw/zinc/35/56/36/188355636.db2.gz WJAKQMNUCFVBDO-YPMHNXCESA-N 0 0 202.301 2.885 10 30 BFEERN C#C[C@H](CC)Nc1ncc(Cl)cc1F ZINC000230000748 353419855 /nfs/dbraw/zinc/41/98/55/353419855.db2.gz RITWZJMXIAHCPU-MRVPVSSYSA-N 0 0 212.655 2.698 10 30 BFEERN C=CCOc1c(N)cccc1Br ZINC000133456765 353417145 /nfs/dbraw/zinc/41/71/45/353417145.db2.gz XHUNADXSTINZTI-UHFFFAOYSA-N 0 0 228.089 2.596 10 30 BFEERN C=C[C@H]1CN(c2ccc3sccc3c2)C(=O)N1 ZINC000040443199 188396957 /nfs/dbraw/zinc/39/69/57/188396957.db2.gz SZAJCTUBIQVDIO-JTQLQIEISA-N 0 0 244.319 2.986 10 30 BFEERN C#CCSc1ccc2c(C)cc(=O)oc2c1 ZINC000090628357 188403780 /nfs/dbraw/zinc/40/37/80/188403780.db2.gz KSGGYCSKJYAWEP-UHFFFAOYSA-N 0 0 230.288 2.827 10 30 BFEERN C[C@@H]1CC[C@@H](C[C@@]2(C#N)CCCS2)O1 ZINC000232059581 353686806 /nfs/dbraw/zinc/68/68/06/353686806.db2.gz KKUYVHIWXHAMFL-OUAUKWLOSA-N 0 0 211.330 2.733 10 30 BFEERN C#C[C@@H](O)c1ccc(Cl)c(Br)c1 ZINC000137217124 353757669 /nfs/dbraw/zinc/75/76/69/353757669.db2.gz HUZAURKRAVPQTL-SECBINFHSA-N 0 0 245.503 2.769 10 30 BFEERN C[C@@H]1CCC[C@H](N(C)C2=CC(=O)CC2)C1 ZINC000160216493 353741148 /nfs/dbraw/zinc/74/11/48/353741148.db2.gz UVQSXVHPRIVKFK-MNOVXSKESA-N 0 0 207.317 2.744 10 30 BFEERN Fc1nc(C#Cc2ccccc2)cs1 ZINC000066098051 181021178 /nfs/dbraw/zinc/02/11/78/181021178.db2.gz RTSSDOUVTZLNLE-UHFFFAOYSA-N 0 0 203.241 2.682 10 30 BFEERN N#CC1(c2ccc(F)cc2F)CCC(=O)CC1 ZINC000034580941 181031749 /nfs/dbraw/zinc/03/17/49/181031749.db2.gz AKVYELPUTIERFM-UHFFFAOYSA-N 0 0 235.233 2.869 10 30 BFEERN N#CC1(NC(=O)c2ccco2)CCCCCC1 ZINC000040221538 181030808 /nfs/dbraw/zinc/03/08/08/181030808.db2.gz ZAFPUZADMHKMAL-UHFFFAOYSA-N 0 0 232.283 2.626 10 30 BFEERN N#CC1(NCc2ccccc2)Cc2ccccc2C1 ZINC000037939491 181030858 /nfs/dbraw/zinc/03/08/58/181030858.db2.gz CLLPQALATGASSD-UHFFFAOYSA-N 0 0 248.329 2.837 10 30 BFEERN N#CCCn1ncc2c1cccc2Cl ZINC000045921275 181039821 /nfs/dbraw/zinc/03/98/21/181039821.db2.gz GIMYXKSRNPWDDG-UHFFFAOYSA-N 0 0 205.648 2.603 10 30 BFEERN N#CCNc1ccc(OC(F)(F)F)cc1 ZINC000020047540 181043261 /nfs/dbraw/zinc/04/32/61/181043261.db2.gz AYUVZUUWXHHJSV-UHFFFAOYSA-N 0 0 216.162 2.521 10 30 BFEERN N#CCNc1cccc(OC(F)(F)F)c1 ZINC000020056313 181043429 /nfs/dbraw/zinc/04/34/29/181043429.db2.gz ZHXAZQBIDMFEIJ-UHFFFAOYSA-N 0 0 216.162 2.521 10 30 BFEERN N#CCc1nc2ccc(Br)cc2o1 ZINC000082330757 181049674 /nfs/dbraw/zinc/04/96/74/181049674.db2.gz RPYQSMLKCGVEOC-UHFFFAOYSA-N 0 0 237.056 2.656 10 30 BFEERN N#C[C@@H](C(=O)c1ccco1)c1cccc(F)c1 ZINC000036931201 181054386 /nfs/dbraw/zinc/05/43/86/181054386.db2.gz SGDYQWFTYHOSPE-LLVKDONJSA-N 0 0 229.210 2.909 10 30 BFEERN N#C[C@@H](N)CCSc1ccccc1Cl ZINC000062453703 181055594 /nfs/dbraw/zinc/05/55/94/181055594.db2.gz DWWHPGAROAZHDQ-QMMMGPOBSA-N 0 0 226.732 2.673 10 30 BFEERN N#C[C@@H](N)c1ccc(-c2ccccc2)cc1 ZINC000022171308 181056369 /nfs/dbraw/zinc/05/63/69/181056369.db2.gz YHMQUVSPFWLEOX-CQSZACIVSA-N 0 0 208.264 2.877 10 30 BFEERN N#C[C@@H](Nc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000037937236 181057467 /nfs/dbraw/zinc/05/74/67/181057467.db2.gz QEHNHNWTVIEXTE-JOYOIKCWSA-N 0 0 236.702 2.681 10 30 BFEERN N#C[C@@H](NC(=O)C1CCCCC1)c1ccccc1 ZINC000040215150 181056609 /nfs/dbraw/zinc/05/66/09/181056609.db2.gz KBADEOGNPNLVLE-CQSZACIVSA-N 0 0 242.322 2.948 10 30 BFEERN N#C[C@@H](Nc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000037937234 181057055 /nfs/dbraw/zinc/05/70/55/181057055.db2.gz QEHNHNWTVIEXTE-BXKDBHETSA-N 0 0 236.702 2.681 10 30 BFEERN N#C[C@@H](Nc1cccc(F)c1)c1cccnc1 ZINC000037937068 181057071 /nfs/dbraw/zinc/05/70/71/181057071.db2.gz YQVLMTSTTMEUSD-CYBMUJFWSA-N 0 0 227.242 2.897 10 30 BFEERN N#C[C@H](N)CCSc1ccccc1Cl ZINC000062453706 181064928 /nfs/dbraw/zinc/06/49/28/181064928.db2.gz DWWHPGAROAZHDQ-MRVPVSSYSA-N 0 0 226.732 2.673 10 30 BFEERN N#C[C@H](NCC1CC1)c1ccccc1Cl ZINC000037946872 181065844 /nfs/dbraw/zinc/06/58/44/181065844.db2.gz NHSVTVLMBRETGP-LBPRGKRZSA-N 0 0 220.703 2.904 10 30 BFEERN N#C[C@H](Nc1ccccc1)c1ccc(O)c(O)c1 ZINC000037935231 181065943 /nfs/dbraw/zinc/06/59/43/181065943.db2.gz NCDZIRJYPMBQRV-LBPRGKRZSA-N 0 0 240.262 2.775 10 30 BFEERN N#C[C@H](NCC1CC1)c1cccc(Cl)c1 ZINC000037946821 181065989 /nfs/dbraw/zinc/06/59/89/181065989.db2.gz ISAXIINLROXPGZ-LBPRGKRZSA-N 0 0 220.703 2.904 10 30 BFEERN N#C[C@H](Nc1cccc(F)c1)c1cccnc1 ZINC000037937067 181066324 /nfs/dbraw/zinc/06/63/24/181066324.db2.gz YQVLMTSTTMEUSD-ZDUSSCGKSA-N 0 0 227.242 2.897 10 30 BFEERN N#C[C@H](c1ccc(F)cc1F)N1CCCC1 ZINC000037355473 181066533 /nfs/dbraw/zinc/06/65/33/181066533.db2.gz WIJLEQFNOXYSAG-GFCCVEGCSA-N 0 0 222.238 2.625 10 30 BFEERN N#C[C@@H](c1ccc(F)cc1F)N1CCCC1 ZINC000037355474 181057835 /nfs/dbraw/zinc/05/78/35/181057835.db2.gz WIJLEQFNOXYSAG-LBPRGKRZSA-N 0 0 222.238 2.625 10 30 BFEERN N#Cc1c(F)ccc(-c2ccccn2)c1F ZINC000095093109 181075337 /nfs/dbraw/zinc/07/53/37/181075337.db2.gz NSXJIVKTJYDWTO-UHFFFAOYSA-N 0 0 216.190 2.898 10 30 BFEERN N#Cc1[nH]c2sc3c(c2c1N)CCCC3 ZINC000000194045 181071496 /nfs/dbraw/zinc/07/14/96/181071496.db2.gz BLPRDYVSLQXLML-UHFFFAOYSA-N 0 0 217.297 2.562 10 30 BFEERN N#Cc1c2c(sc1-n1cccc1)CCC2 ZINC000034181220 181072250 /nfs/dbraw/zinc/07/22/50/181072250.db2.gz XSQUWPJYFCGTIB-UHFFFAOYSA-N 0 0 214.293 2.899 10 30 BFEERN N#Cc1c(Cl)nc2cc(Cl)ccn12 ZINC000074376455 181073757 /nfs/dbraw/zinc/07/37/57/181073757.db2.gz AMSBHCLTVGHASG-UHFFFAOYSA-N 0 0 212.039 2.513 10 30 BFEERN N#Cc1c(Cl)cncc1-c1ccc(N)cc1 ZINC000039140302 181074069 /nfs/dbraw/zinc/07/40/69/181074069.db2.gz QLXSUZUTGXJMSQ-UHFFFAOYSA-N 0 0 229.670 2.856 10 30 BFEERN N#Cc1c(F)cccc1N[C@@H]1CCC[C@H]1C#N ZINC000054825343 181075763 /nfs/dbraw/zinc/07/57/63/181075763.db2.gz YMMWNNVTMCWOOL-JOYOIKCWSA-N 0 0 229.258 2.802 10 30 BFEERN N#Cc1cc(-c2ccc(O)c(F)c2)ccc1O ZINC000065341367 181080828 /nfs/dbraw/zinc/08/08/28/181080828.db2.gz NPRZVBMMVSVUQW-UHFFFAOYSA-N 0 0 229.210 2.776 10 30 BFEERN N#Cc1cc(-c2ccc(C=O)s2)ccc1O ZINC000065341382 181080867 /nfs/dbraw/zinc/08/08/67/181080867.db2.gz QWACAUJEVOXQTC-UHFFFAOYSA-N 0 0 229.260 2.805 10 30 BFEERN N#Cc1cc(-c2cccc(C=O)c2)ccc1O ZINC000065341310 181080954 /nfs/dbraw/zinc/08/09/54/181080954.db2.gz GIGSNENIIJXHLG-UHFFFAOYSA-N 0 0 223.231 2.743 10 30 BFEERN N#Cc1cc(CNc2nccs2)ccc1F ZINC000083359633 181086231 /nfs/dbraw/zinc/08/62/31/181086231.db2.gz WBCDNUCLVBAGKE-UHFFFAOYSA-N 0 0 233.271 2.766 10 30 BFEERN N#Cc1cc(F)c(F)c(C(F)(F)F)c1 ZINC000002560155 181087407 /nfs/dbraw/zinc/08/74/07/181087407.db2.gz PFFNEHMLICNKAD-UHFFFAOYSA-N 0 0 207.101 2.855 10 30 BFEERN N#Cc1cc2c(nc1OC1CCC1)CCCC2 ZINC000050520437 181094346 /nfs/dbraw/zinc/09/43/46/181094346.db2.gz ZNQDAKIVINOSHA-UHFFFAOYSA-N 0 0 228.295 2.763 10 30 BFEERN N#Cc1ccc(-c2cccc(CO)c2)s1 ZINC000071791977 181094771 /nfs/dbraw/zinc/09/47/71/181094771.db2.gz DKABHGUKEGNMPP-UHFFFAOYSA-N 0 0 215.277 2.779 10 30 BFEERN N#Cc1cc(N)cnc1SCc1ccccc1 ZINC000037759401 181090531 /nfs/dbraw/zinc/09/05/31/181090531.db2.gz XKFZSFIJJJRDJO-UHFFFAOYSA-N 0 0 241.319 2.828 10 30 BFEERN N#Cc1cc(O)cc(-c2cc(F)ccc2O)c1 ZINC000065341378 181091470 /nfs/dbraw/zinc/09/14/70/181091470.db2.gz QWODIJGYMDXEOG-UHFFFAOYSA-N 0 0 229.210 2.776 10 30 BFEERN N#Cc1cc(OC2CC2)c(C(F)(F)F)cn1 ZINC000095736450 181091555 /nfs/dbraw/zinc/09/15/55/181091555.db2.gz OVPZMATUGWOEPZ-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN N#Cc1ccc(COCc2ccc(N)cc2)cc1 ZINC000019967300 181110798 /nfs/dbraw/zinc/11/07/98/181110798.db2.gz HOVDQWCJLNOWQO-UHFFFAOYSA-N 0 0 238.290 2.857 10 30 BFEERN N#Cc1ccc(Cl)cc1OCCCCCO ZINC000167591494 181111538 /nfs/dbraw/zinc/11/15/38/181111538.db2.gz DIUSAXDPLSKWJK-UHFFFAOYSA-N 0 0 239.702 2.753 10 30 BFEERN N#Cc1ccc(N2CC[C@H]3CCCC[C@H]32)nc1 ZINC000229104930 181116747 /nfs/dbraw/zinc/11/67/47/181116747.db2.gz KVAXWZFQEYPKDP-CHWSQXEVSA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1ccc(N2CC[C@H]3CCCC[C@@H]32)nc1 ZINC000111249428 181116822 /nfs/dbraw/zinc/11/68/22/181116822.db2.gz KVAXWZFQEYPKDP-OLZOCXBDSA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1ccc(NCc2ccc([N+](=O)[O-])o2)cc1 ZINC000037212075 181123659 /nfs/dbraw/zinc/12/36/59/181123659.db2.gz LVNOIWBPBIHUHQ-UHFFFAOYSA-N 0 0 243.222 2.672 10 30 BFEERN N#Cc1ccc(NCc2ccccc2F)c(N)c1 ZINC000035674402 181123890 /nfs/dbraw/zinc/12/38/90/181123890.db2.gz FIGNFRASSSMJNW-UHFFFAOYSA-N 0 0 241.269 2.892 10 30 BFEERN N#Cc1ccc(OCCc2ccccn2)cc1 ZINC000034958482 181127322 /nfs/dbraw/zinc/12/73/22/181127322.db2.gz JWGSSDDDAKOFTF-UHFFFAOYSA-N 0 0 224.263 2.575 10 30 BFEERN N#Cc1ccc(OCc2ccccc2N)cc1 ZINC000019386698 181128301 /nfs/dbraw/zinc/12/83/01/181128301.db2.gz RREKWHVLKATMIK-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN N#Cc1ccc2ccn(-c3cccc(CO)c3)c2c1 ZINC000071792037 181133223 /nfs/dbraw/zinc/13/32/23/181133223.db2.gz IEQUHVJPJJHFNW-UHFFFAOYSA-N 0 0 248.285 2.994 10 30 BFEERN N#Cc1ccc2[nH]c3c(cccc3O)c2c1 ZINC000064549674 181131688 /nfs/dbraw/zinc/13/16/88/181131688.db2.gz JINODYMSFZBLPV-UHFFFAOYSA-N 0 0 208.220 2.898 10 30 BFEERN N#Cc1ccc([C@H]2NC(c3ccccc3)=NO2)cc1 ZINC000003240700 181131851 /nfs/dbraw/zinc/13/18/51/181131851.db2.gz BJFXICTTWGARCG-HNNXBMFYSA-N 0 0 249.273 2.538 10 30 BFEERN N#Cc1cccc(Oc2cncc(Cl)n2)c1 ZINC000037981687 181143526 /nfs/dbraw/zinc/14/35/26/181143526.db2.gz LFRIKTMPZXSPGP-UHFFFAOYSA-N 0 0 231.642 2.794 10 30 BFEERN N#Cc1ccccc1-c1n[nH]c2ccc(N)cc21 ZINC000091362150 181144168 /nfs/dbraw/zinc/14/41/68/181144168.db2.gz GWDGZYUTEXQRNZ-UHFFFAOYSA-N 0 0 234.262 2.684 10 30 BFEERN N#Cc1ccccc1-n1cnc(Br)c1 ZINC000072193515 181144300 /nfs/dbraw/zinc/14/43/00/181144300.db2.gz VCAIVEGZJVKPKE-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN N#Cc1ccccc1COCC(F)(F)F ZINC000019480167 181146700 /nfs/dbraw/zinc/14/67/00/181146700.db2.gz ZAYAHMWATCCLAF-UHFFFAOYSA-N 0 0 215.174 2.637 10 30 BFEERN N#Cc1ccccc1COCCc1ccccn1 ZINC000034958488 181146704 /nfs/dbraw/zinc/14/67/04/181146704.db2.gz ODGPNSBRVGYPAH-UHFFFAOYSA-N 0 0 238.290 2.713 10 30 BFEERN N#Cc1ccccc1NCCc1ccncc1 ZINC000037491839 181147929 /nfs/dbraw/zinc/14/79/29/181147929.db2.gz KVAZUMWWVURPHC-UHFFFAOYSA-N 0 0 223.279 2.608 10 30 BFEERN N#Cc1ccccc1NCC(F)(F)F ZINC000020077310 181148301 /nfs/dbraw/zinc/14/83/01/181148301.db2.gz WZJXZCODMLRGEL-UHFFFAOYSA-N 0 0 200.163 2.532 10 30 BFEERN N#Cc1cccnc1Nc1cc(N)ccc1Cl ZINC000038033910 181154310 /nfs/dbraw/zinc/15/43/10/181154310.db2.gz XDNSAYDSZWCSDQ-UHFFFAOYSA-N 0 0 244.685 2.932 10 30 BFEERN N#Cc1ccnc(OCCc2ccccc2)c1 ZINC000034958247 181158498 /nfs/dbraw/zinc/15/84/98/181158498.db2.gz NMHGLIXRMBMGQM-UHFFFAOYSA-N 0 0 224.263 2.575 10 30 BFEERN N#Cc1cnc(Nc2ccsc2Cl)cn1 ZINC000302510452 181163914 /nfs/dbraw/zinc/16/39/14/181163914.db2.gz SIKSJKBJQGXBPW-UHFFFAOYSA-N 0 0 236.687 2.807 10 30 BFEERN N#Cc1conc1-c1ccccc1Cl ZINC000071509212 181165587 /nfs/dbraw/zinc/16/55/87/181165587.db2.gz DQAXTURKXZPTOZ-UHFFFAOYSA-N 0 0 204.616 2.867 10 30 BFEERN N#Cc1cnn(CCC(Cl)(Cl)Cl)c1 ZINC000282292110 181164510 /nfs/dbraw/zinc/16/45/10/181164510.db2.gz QPNHGYCGOHOFJQ-UHFFFAOYSA-N 0 0 238.505 2.515 10 30 BFEERN N#Cc1cnn(-c2ccccc2Br)c1 ZINC000071562634 181164837 /nfs/dbraw/zinc/16/48/37/181164837.db2.gz ZZTRPVQSCVUSJI-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN N#Cc1ncc(OC2CC2)cc1C(F)(F)F ZINC000095736532 181170406 /nfs/dbraw/zinc/17/04/06/181170406.db2.gz ORAFMZREAMPXGZ-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN N#Cc1csc(Cc2ccccc2)n1 ZINC000019723167 181167522 /nfs/dbraw/zinc/16/75/22/181167522.db2.gz TXZZCJZUGBUTPW-UHFFFAOYSA-N 0 0 200.266 2.606 10 30 BFEERN N#Cc1nsc2ccc(Br)cc12 ZINC000083338560 181177857 /nfs/dbraw/zinc/17/78/57/181177857.db2.gz OCJWHBUBDCLIHL-UHFFFAOYSA-N 0 0 239.097 2.930 10 30 BFEERN N#Cc1scc(-c2ccccc2)c1N ZINC000049812158 181178401 /nfs/dbraw/zinc/17/84/01/181178401.db2.gz ZDLRBJNPHUPXHP-UHFFFAOYSA-N 0 0 200.266 2.869 10 30 BFEERN N#Cc1cnc(N2C[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000336000081 134046766 /nfs/dbraw/zinc/04/67/66/134046766.db2.gz RRRLVZWOWTZDIR-ONGXEEELSA-N 0 0 233.702 2.595 10 30 BFEERN Cc1cc(NC2CCCC2)c(C#N)c(C)n1 ZINC000087969408 356383425 /nfs/dbraw/zinc/38/34/25/356383425.db2.gz FTVCLLHZGBDLNQ-UHFFFAOYSA-N 0 0 215.300 2.925 10 30 BFEERN COc1cc(C#N)ccc1NC(=O)C1CC(C)C1 ZINC000545297139 356415663 /nfs/dbraw/zinc/41/56/63/356415663.db2.gz BMMSWLZDOJFFCZ-UHFFFAOYSA-N 0 0 244.294 2.551 10 30 BFEERN CC(C)(C)C#CC[C@@H](O)C(F)(F)Cl ZINC000300751148 356492566 /nfs/dbraw/zinc/49/25/66/356492566.db2.gz LDZNFLFQVONMEB-SSDOTTSWSA-N 0 0 210.651 2.619 10 30 BFEERN C[C@H]1CC2(CCC2)C[N@@H+]1CC1(C#N)CCC1 ZINC000336272815 134141945 /nfs/dbraw/zinc/14/19/45/134141945.db2.gz BOPSIFACNIWHLP-LBPRGKRZSA-N 0 0 218.344 2.945 10 30 BFEERN CC(C)(C(=O)N[C@H]1CCC[C@H]1C#N)C1CCC1 ZINC000322457783 363532321 /nfs/dbraw/zinc/53/23/21/363532321.db2.gz IBUGYVILWYFUAQ-JQWIXIFHSA-N 0 0 234.343 2.621 10 30 BFEERN Cc1ccc(-c2cnn3cccnc23)c(C#N)c1 ZINC000675073130 538505280 /nfs/dbraw/zinc/50/52/80/538505280.db2.gz RQUSLSVJJFXLNM-UHFFFAOYSA-N 0 0 234.262 2.576 10 30 BFEERN C=C(C)c1ccc2nc(Br)nn2c1 ZINC000675069557 538498654 /nfs/dbraw/zinc/49/86/54/538498654.db2.gz IGTPZOLOBCBPQW-UHFFFAOYSA-N 0 0 238.088 2.525 10 30 BFEERN Cc1cc(O)ccc1C#CC(F)(F)F ZINC000675078249 538516509 /nfs/dbraw/zinc/51/65/09/538516509.db2.gz CWHUVEKSTMMEFS-UHFFFAOYSA-N 0 0 200.159 2.614 10 30 BFEERN CCCCCC[C@]1(C)O[C@H]1C(=O)OCC ZINC000084324637 538530776 /nfs/dbraw/zinc/53/07/76/538530776.db2.gz NXOPBRGMCUPJEI-JQWIXIFHSA-N 0 0 214.305 2.677 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@@]12CCCC2(C)C ZINC000086869195 538560707 /nfs/dbraw/zinc/56/07/07/538560707.db2.gz GRYXEDRWTQUVIK-QWHCGFSZSA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@@]12CCCC2(C)C ZINC000086869203 538561093 /nfs/dbraw/zinc/56/10/93/538561093.db2.gz WSQKYLODEDIEJM-OLZOCXBDSA-N 0 0 226.316 2.533 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@]12CCCC2(C)C ZINC000086869199 538561253 /nfs/dbraw/zinc/56/12/53/538561253.db2.gz GRYXEDRWTQUVIK-STQMWFEESA-N 0 0 226.316 2.677 10 30 BFEERN CCOC(=O)[C@@]1(CC)O[C@@]1(C)C1CCCC1 ZINC000086166083 538551743 /nfs/dbraw/zinc/55/17/43/538551743.db2.gz VETBGJPTHLNJHW-QWHCGFSZSA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@@H]1O[C@]12CCC[C@H](C(C)C)CC2 ZINC000084324401 538530066 /nfs/dbraw/zinc/53/00/66/538530066.db2.gz DPGQQANHDRGWMN-GVXVVHGQSA-N 0 0 226.316 2.533 10 30 BFEERN COc1cc(Br)c(F)cc1CC#N ZINC000217435564 357261462 /nfs/dbraw/zinc/26/14/62/357261462.db2.gz UVHLKAVAVZFKOR-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN Cc1ccc(F)cc1CN[C@H]1CCC[C@H]1C#N ZINC000230686615 357549619 /nfs/dbraw/zinc/54/96/19/357549619.db2.gz RHTZZHVGYPYKOK-FZMZJTMJSA-N 0 0 232.302 2.916 10 30 BFEERN C=CCCC[C@H](C)NC(=O)[C@H]1CCCO[C@H]1C ZINC000190016795 357687664 /nfs/dbraw/zinc/68/76/64/357687664.db2.gz SXMYSMYAMIWUIM-AVGNSLFASA-N 0 0 239.359 2.663 10 30 BFEERN Cc1cc(C#N)nc(-c2cc(C)cc(C#N)n2)c1 ZINC000035653996 358013296 /nfs/dbraw/zinc/01/32/96/358013296.db2.gz CUVQMRAQEXFPQF-UHFFFAOYSA-N 0 0 234.262 2.504 10 30 BFEERN Cc1c(/C=C\C(=O)c2ccc(F)cc2)cnn1C ZINC000035677787 358098640 /nfs/dbraw/zinc/09/86/40/358098640.db2.gz JRDFENKEGSDHEK-YVMONPNESA-N 0 0 244.269 2.764 10 30 BFEERN CC[C@@H](C#N)N[C@H](C)c1ccccc1OC ZINC000088162771 535396090 /nfs/dbraw/zinc/39/60/90/535396090.db2.gz MVBTVFPIRLJBBX-MNOVXSKESA-N 0 0 218.300 2.648 10 30 BFEERN O=Cc1sccc1C#Cc1ccccc1 ZINC000038313101 358147373 /nfs/dbraw/zinc/14/73/73/358147373.db2.gz PQASUMRZUQCTOP-UHFFFAOYSA-N 0 0 212.273 2.960 10 30 BFEERN C#CC(CC)(CC)NC(=O)c1ccccc1 ZINC000224004166 358231325 /nfs/dbraw/zinc/23/13/25/358231325.db2.gz NQSGLGFLRYEEEH-UHFFFAOYSA-N 0 0 215.296 2.608 10 30 BFEERN O[C@H](CCCS)c1ccc(F)cc1 ZINC000584613363 358277556 /nfs/dbraw/zinc/27/75/56/358277556.db2.gz FULSZWLMQJHWQH-SNVBAGLBSA-N 0 0 200.278 2.569 10 30 BFEERN N#CC1([S@](=O)c2ccccc2)CCCC1 ZINC000584613742 358278145 /nfs/dbraw/zinc/27/81/45/358278145.db2.gz FPWQMROFWXFNGB-OAHLLOKOSA-N 0 0 219.309 2.631 10 30 BFEERN C=CCc1c(O)cccc1CCC(=O)OCC ZINC000584596276 358253700 /nfs/dbraw/zinc/25/37/00/358253700.db2.gz KPQIBTXKJLQKQZ-UHFFFAOYSA-N 0 0 234.295 2.616 10 30 BFEERN C=CC[C@H](Cc1ccccc1)C(=O)OCC ZINC000584596899 358254417 /nfs/dbraw/zinc/25/44/17/358254417.db2.gz OKOXYSQCRABFQZ-CYBMUJFWSA-N 0 0 218.296 2.985 10 30 BFEERN COc1ccc(COC2(C)CC(C=O)C2)cc1 ZINC000584600634 358256978 /nfs/dbraw/zinc/25/69/78/358256978.db2.gz UOPDBDXYHRXRJM-UHFFFAOYSA-N 0 0 234.295 2.579 10 30 BFEERN C#C[C@@](O)(c1cccc(Cl)c1)C1(C#N)CCC1 ZINC000584600608 358257041 /nfs/dbraw/zinc/25/70/41/358257041.db2.gz SDLJVEILBFATEU-CQSZACIVSA-N 0 0 245.709 2.855 10 30 BFEERN CC[C@H](C)c1ccc(OC[C@@H](O)CC#N)cc1 ZINC000584600317 358257050 /nfs/dbraw/zinc/25/70/50/358257050.db2.gz XQIKCARYVPZESJ-AAEUAGOBSA-N 0 0 233.311 2.853 10 30 BFEERN CC(=N[C@H](C)COc1cccc(C)c1C)NC#N ZINC000584601626 358258978 /nfs/dbraw/zinc/25/89/78/358258978.db2.gz FPOCNBKBIFQZCF-LLVKDONJSA-N 0 0 245.326 2.560 10 30 BFEERN C#C[C@](OC)(c1cccc(F)c1)C1(C#N)CC1 ZINC000584603289 358261998 /nfs/dbraw/zinc/26/19/98/358261998.db2.gz QDJAWIKWZAZGJE-AWEZNQCLSA-N 0 0 229.254 2.604 10 30 BFEERN [NH3+][C@@H](/C(=N/[O-])c1ccccc1)c1ccccc1 ZINC000584603715 358262397 /nfs/dbraw/zinc/26/23/97/358262397.db2.gz KCVKKSLEPBLAEF-ZPTIMJQQSA-N 0 0 226.279 2.565 10 30 BFEERN C#C[P@@](=O)(OCC)Oc1ccccc1 ZINC000584604545 358263732 /nfs/dbraw/zinc/26/37/32/358263732.db2.gz URKGHLXORXVPLP-CQSZACIVSA-N 0 0 210.169 2.886 10 30 BFEERN C/C=C/[C@H](CCOS(C)(=O)=O)C(C)(C)C ZINC000584608411 358269272 /nfs/dbraw/zinc/26/92/72/358269272.db2.gz MYEAVMHLEPKVQP-VQCYPWCPSA-N 0 0 234.361 2.591 10 30 BFEERN C=C(C)/C=C/S(=O)(=O)c1cccs1 ZINC000584609305 358270384 /nfs/dbraw/zinc/27/03/84/358270384.db2.gz GQSMKJWVVPWCNH-FNORWQNLSA-N 0 0 214.311 2.612 10 30 BFEERN COc1ccc([C@@H](/C=N/O)C(C)C)cc1 ZINC000584609252 358270468 /nfs/dbraw/zinc/27/04/68/358270468.db2.gz BTKMOTKSEVRTCD-OXBCTQFSSA-N 0 0 207.273 2.895 10 30 BFEERN O=[N+]([O-])c1ccccc1/C=N/c1cccnc1 ZINC000584610375 358273401 /nfs/dbraw/zinc/27/34/01/358273401.db2.gz HKZWDVISBBELMU-RIYZIHGNSA-N 0 0 227.223 2.740 10 30 BFEERN O=C(/C=C\C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000584611166 358275036 /nfs/dbraw/zinc/27/50/36/358275036.db2.gz OEXCXXIWKAXXLO-WAYWQWQTSA-N 0 0 245.156 2.896 10 30 BFEERN COC(=O)N1CC/C(=N/c2ccccc2)[C@H](C)C1 ZINC000584620910 358287917 /nfs/dbraw/zinc/28/79/17/358287917.db2.gz QLOLEXMGMVDQJB-XGOYLDHDSA-N 0 0 246.310 2.867 10 30 BFEERN C#CCOc1nc(-c2ccccn2)sc1C ZINC000584624054 358291698 /nfs/dbraw/zinc/29/16/98/358291698.db2.gz XRZXLEIIPTVJNY-UHFFFAOYSA-N 0 0 230.292 2.526 10 30 BFEERN C=C(C)COC(=O)Nc1ccc(OC)cc1 ZINC000584625968 358295333 /nfs/dbraw/zinc/29/53/33/358295333.db2.gz VNMOOBIDNTUWER-UHFFFAOYSA-N 0 0 221.256 2.820 10 30 BFEERN CC[C@](C)(C#N)Nc1ccc([N+](=O)[O-])cc1 ZINC000584626544 358295710 /nfs/dbraw/zinc/29/57/10/358295710.db2.gz LDAVNYQZNDXMTQ-LLVKDONJSA-N 0 0 219.244 2.699 10 30 BFEERN N#CC[C@H](O)Cc1ccc2ccccc2c1 ZINC000584626382 358295799 /nfs/dbraw/zinc/29/57/99/358295799.db2.gz ZIKZRJLXRHFKSC-AWEZNQCLSA-N 0 0 211.264 2.657 10 30 BFEERN N#C[C@H](N)Cc1ccc2cccc(Cl)c2c1 ZINC000584626803 358296144 /nfs/dbraw/zinc/29/61/44/358296144.db2.gz POJPZHCANNNUPA-LLVKDONJSA-N 0 0 230.698 2.887 10 30 BFEERN CC(C)/N=C/[C@](O)(c1ccccc1)C(F)(F)F ZINC000584630864 358301832 /nfs/dbraw/zinc/30/18/32/358301832.db2.gz XZJILQJUIUZCKX-AXLKIAQESA-N 0 0 245.244 2.916 10 30 BFEERN C#Cc1c(C)nc2ccc(C(F)(F)F)cn12 ZINC000584631948 358314160 /nfs/dbraw/zinc/31/41/60/358314160.db2.gz BEZCTKSDKIADGN-UHFFFAOYSA-N 0 0 224.185 2.643 10 30 BFEERN CCCC(=C(NC)C(C)(C)C)[N+](=O)[O-] ZINC000584656835 358308439 /nfs/dbraw/zinc/30/84/39/358308439.db2.gz IRDFMOBOIHVEPM-HXFLENJLSA-N 0 0 200.282 2.549 10 30 BFEERN C=CCC/C(=N/O)c1ccc(OC)cc1 ZINC000584656963 358308569 /nfs/dbraw/zinc/30/85/69/358308569.db2.gz ZCHPGGFRASNFHA-SEYXRHQNSA-N 0 0 205.257 2.840 10 30 BFEERN C=C[C@](C)(CC1(C)SCCS1)C(=O)OC ZINC000584657756 358309655 /nfs/dbraw/zinc/30/96/55/358309655.db2.gz JMOXVTIKIYVIOS-SNVBAGLBSA-N 0 0 246.397 2.938 10 30 BFEERN Cc1ccc(C[C@@H](C)CC(=O)C#N)cc1 ZINC000584660740 358311873 /nfs/dbraw/zinc/31/18/73/358311873.db2.gz LFOPFHUQSUPIHN-LLVKDONJSA-N 0 0 201.269 2.656 10 30 BFEERN C#CC(=O)CCCc1cccc2[nH]ccc21 ZINC000584617459 358283081 /nfs/dbraw/zinc/28/30/81/358283081.db2.gz YPCCTJSJLBMLLX-UHFFFAOYSA-N 0 0 211.264 2.693 10 30 BFEERN CCO[C@@H](C#N)c1ccc2c(c1)CCC2 ZINC000584618477 358284283 /nfs/dbraw/zinc/28/42/83/358284283.db2.gz JCGZHRKDWBPJPC-ZDUSSCGKSA-N 0 0 201.269 2.776 10 30 BFEERN CCOC(=O)CCO/N=C(\C)C1CCCCC1 ZINC000584644173 358329539 /nfs/dbraw/zinc/32/95/39/358329539.db2.gz HCFJFWUJTDAQKP-SDNWHVSQSA-N 0 0 241.331 2.912 10 30 BFEERN Cc1cc(N)c(C#C[Si](C)(C)C)c(F)c1 ZINC000584632720 358315215 /nfs/dbraw/zinc/31/52/15/358315215.db2.gz WSKRRXJCNGHWFR-UHFFFAOYSA-N 0 0 221.351 2.945 10 30 BFEERN C=C[C@@]1(c2ccc(F)cc2F)COC(=O)O1 ZINC000584633523 358317134 /nfs/dbraw/zinc/31/71/34/358317134.db2.gz UJGCUMBYMVADOH-NSHDSACASA-N 0 0 226.178 2.513 10 30 BFEERN C=C[C@@]1(c2ccc(C)cc2)COC(=O)O1 ZINC000584634470 358318565 /nfs/dbraw/zinc/31/85/65/358318565.db2.gz FTMHUFVBDNXYJO-LBPRGKRZSA-N 0 0 204.225 2.543 10 30 BFEERN COc1ccc(/N=C2\OC[C@@H](C)S2)cc1 ZINC000584636223 358320382 /nfs/dbraw/zinc/32/03/82/358320382.db2.gz ZFRPVZVBIQRYDN-MDBUJETNSA-N 0 0 223.297 2.835 10 30 BFEERN C=C[C@@](O)(c1ccncc1)c1cccc(C)c1 ZINC000584636840 358321554 /nfs/dbraw/zinc/32/15/54/358321554.db2.gz GQQKJNNIMBEFLY-OAHLLOKOSA-N 0 0 225.291 2.812 10 30 BFEERN CO/C=C1\CCCc2ccccc2C1=O ZINC000584638414 358323746 /nfs/dbraw/zinc/32/37/46/358323746.db2.gz UAXBNEKXFOVXBW-PKNBQFBNSA-N 0 0 202.253 2.736 10 30 BFEERN C[C@@]1(C#N)CCCc2c3c(ccc21)OCO3 ZINC000584642348 358327976 /nfs/dbraw/zinc/32/79/76/358327976.db2.gz FRUGJVDPXGTRBI-ZDUSSCGKSA-N 0 0 215.252 2.533 10 30 BFEERN C[C@@H](C#N)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000044825633 358556197 /nfs/dbraw/zinc/55/61/97/358556197.db2.gz SVQHRXPQLCNMNT-IUCAKERBSA-N 0 0 236.702 2.677 10 30 BFEERN C=Cc1ccc(COC(=O)C(=C)C)cc1 ZINC000002572041 358975639 /nfs/dbraw/zinc/97/56/39/358975639.db2.gz PTVHJARVSMLXLE-UHFFFAOYSA-N 0 0 202.253 2.949 10 30 BFEERN C/C=C\C(=O)c1cc(F)c(F)cc1F ZINC000231142242 358994646 /nfs/dbraw/zinc/99/46/46/358994646.db2.gz YFKZQIDXVNRFOQ-IHWYPQMZSA-N 0 0 200.159 2.863 10 30 BFEERN C[C@H](C#N)[C@@H](O)c1ccsc1Cl ZINC000306220911 359346201 /nfs/dbraw/zinc/34/62/01/359346201.db2.gz IQSSCTWKBFVNNT-IYSWYEEDSA-N 0 0 201.678 2.595 10 30 BFEERN C=CCc1c(O)ccc2c1CCCC2=O ZINC000141217777 359591147 /nfs/dbraw/zinc/59/11/47/359591147.db2.gz JIKYHZQYNBIDHI-UHFFFAOYSA-N 0 0 202.253 2.640 10 30 BFEERN CC#C[C@@](C)(O)c1ccccc1Br ZINC000306325755 359609423 /nfs/dbraw/zinc/60/94/23/359609423.db2.gz QVKWIOAARDHNRS-LLVKDONJSA-N 0 0 239.112 2.680 10 30 BFEERN C#CCNc1cc(F)cc(Br)c1 ZINC000306401570 359784736 /nfs/dbraw/zinc/78/47/36/359784736.db2.gz PTDNZBIPBJPQEB-UHFFFAOYSA-N 0 0 228.064 2.633 10 30 BFEERN CC1CN(c2ccc(C#N)c(Cl)c2)C1 ZINC000306433697 359941584 /nfs/dbraw/zinc/94/15/84/359941584.db2.gz XPUYLBKVLYMOIS-UHFFFAOYSA-N 0 0 206.676 2.668 10 30 BFEERN Cc1ccc([C@H](C)NC(=O)C(C)(C)C#N)cc1F ZINC000088235565 359942336 /nfs/dbraw/zinc/94/23/36/359942336.db2.gz STUSOQKJHHHVAN-JTQLQIEISA-N 0 0 248.301 2.861 10 30 BFEERN O=CC1([C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000306450045 360018519 /nfs/dbraw/zinc/01/85/19/360018519.db2.gz BPCQQDVKROJWMK-LLVKDONJSA-N 0 0 208.301 2.705 10 30 BFEERN N#CC1(c2nccc3ccsc32)CC1 ZINC000306497908 360232472 /nfs/dbraw/zinc/23/24/72/360232472.db2.gz CJPBHUMYYYNJDM-UHFFFAOYSA-N 0 0 200.266 2.851 10 30 BFEERN C[C@@H](SCC#CC(C)(C)C)[C@H](C)O ZINC000300718871 360381034 /nfs/dbraw/zinc/38/10/34/360381034.db2.gz APFCAUGDIJPCRQ-VHSXEESVSA-N 0 0 200.347 2.538 10 30 BFEERN C[C@H](NCC#CC(C)(C)C)C(C)(F)F ZINC000306563654 360441790 /nfs/dbraw/zinc/44/17/90/360441790.db2.gz VVOPZRYJIFXSIT-VIFPVBQESA-N 0 0 203.276 2.669 10 30 BFEERN CC(C)[C@@]1(c2cccs2)CC[C@@H](C=O)O1 ZINC000306569575 360449008 /nfs/dbraw/zinc/44/90/08/360449008.db2.gz WYNSVIWGSHMJGF-CMPLNLGQSA-N 0 0 224.325 2.977 10 30 BFEERN C#C[C@@](C)(CC)Oc1nc(Cl)ncc1Cl ZINC000306586222 360486483 /nfs/dbraw/zinc/48/64/83/360486483.db2.gz TUWCGYZHAIYELL-JTQLQIEISA-N 0 0 245.109 2.964 10 30 BFEERN Cc1nn(-c2ccccc2)c(N=[N+]=[N-])c1C=O ZINC000036467697 360487591 /nfs/dbraw/zinc/48/75/91/360487591.db2.gz ZQOFITOIEXSOOD-UHFFFAOYSA-N 0 0 227.227 2.935 10 30 BFEERN N#Cc1cccc(-n2ccc(Br)n2)c1 ZINC000238033600 360536513 /nfs/dbraw/zinc/53/65/13/360536513.db2.gz URBRAURGWALODG-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN CC[C@@H](C#N)N1CCC[C@@H](SC)CC1 ZINC000300804598 360512470 /nfs/dbraw/zinc/51/24/70/360512470.db2.gz GBISNICEHJCCIZ-WDEREUQCSA-N 0 0 212.362 2.506 10 30 BFEERN O=C1c2ccccc2CN1/N=C/c1ccccc1 ZINC000033569914 259519696 /nfs/dbraw/zinc/51/96/96/259519696.db2.gz KHKPTTXPJZBPAW-MHWRWJLKSA-N 0 0 236.274 2.677 10 30 BFEERN Cc1ccsc1[C@]1(C)CC(=O)C=CO1 ZINC000069852293 360723020 /nfs/dbraw/zinc/72/30/20/360723020.db2.gz IUWVPCXCCUYGQW-NSHDSACASA-N 0 0 208.282 2.775 10 30 BFEERN N#Cc1cc(OC(F)(F)F)c(Cl)cn1 ZINC000238526483 361139502 /nfs/dbraw/zinc/13/95/02/361139502.db2.gz PCOQOSKWKLGKEQ-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#Cc1c(Cl)cccc1N1CC=CC1 ZINC000238543562 361146972 /nfs/dbraw/zinc/14/69/72/361146972.db2.gz DJAXGJBTMLKZST-UHFFFAOYSA-N 0 0 204.660 2.588 10 30 BFEERN N#CCc1ncc(OC(F)(F)F)cc1Cl ZINC000238540922 361147121 /nfs/dbraw/zinc/14/71/21/361147121.db2.gz RNSZQXNHKAJUPK-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN CC(C)[C@H](C#N)C(=O)c1cccc(F)c1 ZINC000041045694 361183245 /nfs/dbraw/zinc/18/32/45/361183245.db2.gz RMXCLXJMKIKAJH-NSHDSACASA-N 0 0 205.232 2.804 10 30 BFEERN CCCC[C@H](C#N)NCc1ccccc1 ZINC000041053247 361210127 /nfs/dbraw/zinc/21/01/27/361210127.db2.gz SOSABVXEMVECJM-CYBMUJFWSA-N 0 0 202.301 2.859 10 30 BFEERN C=CCC[C@@H](O)c1ccc(N(C)C)cc1 ZINC000160235064 361303745 /nfs/dbraw/zinc/30/37/45/361303745.db2.gz QCBGVPQIQQXLLL-CYBMUJFWSA-N 0 0 205.301 2.752 10 30 BFEERN CC1(C)C[C@@](C#N)(NCc2ccccc2)CCO1 ZINC000070367193 361509611 /nfs/dbraw/zinc/50/96/11/361509611.db2.gz XMDUZWCSHXJLGW-HNNXBMFYSA-N 0 0 244.338 2.628 10 30 BFEERN O=C[C@H]1CCC[C@H](c2ccc(F)cc2)O1 ZINC000306639271 361591516 /nfs/dbraw/zinc/59/15/16/361591516.db2.gz CNIGVYIMMYQNND-VXGBXAGGSA-N 0 0 208.232 2.635 10 30 BFEERN C#C[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000095828689 219915295 /nfs/dbraw/zinc/91/52/95/219915295.db2.gz UAXNBQPQXSMBDC-WDEREUQCSA-N 0 0 223.316 2.703 10 30 BFEERN CC(C)(C)Oc1cc(C#N)cc(Cl)n1 ZINC000215378383 370766998 /nfs/dbraw/zinc/76/69/98/370766998.db2.gz BVMIWCXNDRKVBQ-UHFFFAOYSA-N 0 0 210.664 2.784 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@H](CC#N)C1 ZINC000397665806 541400113 /nfs/dbraw/zinc/40/01/13/541400113.db2.gz YAYGGCMBWYWZRI-JHJVBQTASA-N 0 0 234.343 2.575 10 30 BFEERN COC(=O)CC1([C@@H]2CO2)CCC(C(C)C)CC1 ZINC000675053064 541430745 /nfs/dbraw/zinc/43/07/45/541430745.db2.gz KYYMYLMNBBFXRX-LXVYMNJGSA-N 0 0 240.343 2.781 10 30 BFEERN C=CCc1cc(F)cc(Cn2ccnc2)c1 ZINC000667942343 541433745 /nfs/dbraw/zinc/43/37/45/541433745.db2.gz LODAXUNNBAKCLP-UHFFFAOYSA-N 0 0 216.259 2.799 10 30 BFEERN CC(=O)C1=Cc2cc(Cl)c(F)cc2OC1 ZINC000675063658 541465179 /nfs/dbraw/zinc/46/51/79/541465179.db2.gz JPDPAPQMBNOIED-UHFFFAOYSA-N 0 0 226.634 2.844 10 30 BFEERN CCc1cccc2c1OCC(C(C)=O)=C2 ZINC000675063717 541465716 /nfs/dbraw/zinc/46/57/16/541465716.db2.gz MAMUCWRMUICQKL-UHFFFAOYSA-N 0 0 202.253 2.614 10 30 BFEERN CC(C)c1ccc2[nH]c(=O)c(C#N)cc2c1 ZINC000011956423 541480967 /nfs/dbraw/zinc/48/09/67/541480967.db2.gz VMDOGBZBGSYWPZ-UHFFFAOYSA-N 0 0 212.252 2.523 10 30 BFEERN C=CC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000143058507 541507943 /nfs/dbraw/zinc/50/79/43/541507943.db2.gz IJKJCSHZXNNWGX-SNVBAGLBSA-N 0 0 239.315 2.531 10 30 BFEERN CCN(CC#N)C[C@H]1CCCCC1(F)F ZINC000381666441 367445927 /nfs/dbraw/zinc/44/59/27/367445927.db2.gz KMMLSEAVQJDLCV-SNVBAGLBSA-N 0 0 216.275 2.657 10 30 BFEERN C=CCC[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000143314874 368348607 /nfs/dbraw/zinc/34/86/07/368348607.db2.gz OZAJGVFWNPFREQ-GFCCVEGCSA-N 0 0 217.268 2.978 10 30 BFEERN CCCCCCCCN1C(=O)CCCC1=O ZINC000106121541 259534605 /nfs/dbraw/zinc/53/46/05/259534605.db2.gz ZPIWUMJUXJDFTL-UHFFFAOYSA-N 0 0 225.332 2.886 10 30 BFEERN O=C1C=C2CC[C@H]([C@@H]3CCC[C@@H]3O)C[C@H]2CC1 ZINC000105131867 368395198 /nfs/dbraw/zinc/39/51/98/368395198.db2.gz NDBGXAGSCJKZCP-WCUVEOEZSA-N 0 0 234.339 2.853 10 30 BFEERN CO/N=C/c1ccc(-c2ccccc2N)cc1 ZINC000038339576 368409312 /nfs/dbraw/zinc/40/93/12/368409312.db2.gz AATSGEHMQROGMA-MHWRWJLKSA-N 0 0 226.279 2.916 10 30 BFEERN COc1cc(OC)c(C(C)(C)C#N)cc1OC ZINC000084531300 368856894 /nfs/dbraw/zinc/85/68/94/368856894.db2.gz NPWQFSWLZNYRCA-UHFFFAOYSA-N 0 0 235.283 2.514 10 30 BFEERN C=CCOc1ccc(C#N)cc1Br ZINC000113984805 368914199 /nfs/dbraw/zinc/91/41/99/368914199.db2.gz ZDOWYXJNAKKFJX-UHFFFAOYSA-N 0 0 238.084 2.886 10 30 BFEERN Br/C(=C\c1ccccc1)[C@@H]1CO1 ZINC000138087289 369004819 /nfs/dbraw/zinc/00/48/19/369004819.db2.gz RMWBTXXIWROKFZ-MBACFSSFSA-N 0 0 225.085 2.821 10 30 BFEERN O=C[C@@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000054219147 369062195 /nfs/dbraw/zinc/06/21/95/369062195.db2.gz QRSUCKDURQVLNG-SECBINFHSA-N 0 0 243.759 2.812 10 30 BFEERN Cc1cc(C#N)c([N+](=O)[O-])cc1Br ZINC000230567108 369449206 /nfs/dbraw/zinc/44/92/06/369449206.db2.gz RRIZFYPKIAXJEQ-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN Cc1ccc(C#N)cc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250918310 369621153 /nfs/dbraw/zinc/62/11/53/369621153.db2.gz KCXBVPCBIYXWMJ-CLLJXQQHSA-N 0 0 240.306 2.851 10 30 BFEERN CC[C@@H](Nc1ccnc(C#N)c1)C(C)C ZINC000061811971 369858225 /nfs/dbraw/zinc/85/82/25/369858225.db2.gz UXQKJCDHDALVRH-GFCCVEGCSA-N 0 0 203.289 2.800 10 30 BFEERN Nc1cnccc1SCC#Cc1ccccc1 ZINC000051814531 181770804 /nfs/dbraw/zinc/77/08/04/181770804.db2.gz SBZIDVHYNKWVBR-UHFFFAOYSA-N 0 0 240.331 2.808 10 30 BFEERN N#Cc1ccc(C(F)F)c(Cl)c1N ZINC000131562130 371623062 /nfs/dbraw/zinc/62/30/62/371623062.db2.gz IWDKQICZNVIMLT-UHFFFAOYSA-N 0 0 202.591 2.731 10 30 BFEERN CC[C@@H](Nc1ccc(C#N)nc1)C(C)C ZINC000131895530 371707969 /nfs/dbraw/zinc/70/79/69/371707969.db2.gz DVHAMKCBAQZEIG-GFCCVEGCSA-N 0 0 203.289 2.800 10 30 BFEERN Cc1ccc(O)c(CC#N)c1Br ZINC000216413155 371752450 /nfs/dbraw/zinc/75/24/50/371752450.db2.gz YHDGGFGNUXDOFS-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN N#Cc1cc(F)cc(N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000602725937 371834134 /nfs/dbraw/zinc/83/41/34/371834134.db2.gz RPETZCIVUWDFKZ-ZIAGYGMSSA-N 0 0 246.285 2.677 10 30 BFEERN CCN[C@@H](C#N)c1ccc(Cl)cc1F ZINC000163003315 371909441 /nfs/dbraw/zinc/90/94/41/371909441.db2.gz BKJSRXLBJYFFLV-JTQLQIEISA-N 0 0 212.655 2.653 10 30 BFEERN C[C@H](C#N)[C@H](O)c1sccc1Br ZINC000228023917 371978880 /nfs/dbraw/zinc/97/88/80/371978880.db2.gz HPZNCNDGQJAAEI-VDTYLAMSSA-N 0 0 246.129 2.704 10 30 BFEERN C=C(C)CC(=O)[C@H]1SCCS[C@@H]1C ZINC000228078961 371985958 /nfs/dbraw/zinc/98/59/58/371985958.db2.gz AVDCBCXLCWXQCR-SCZZXKLOSA-N 0 0 216.371 2.759 10 30 BFEERN C[C@@H]1C[C@@](C#N)(NCc2ccccc2)[C@@H]1C ZINC000306458116 372022681 /nfs/dbraw/zinc/02/26/81/372022681.db2.gz XSQUPIGOLXWERK-BZPMIXESSA-N 0 0 214.312 2.714 10 30 BFEERN N#Cc1c(Br)cccc1N1CCC1 ZINC000306603959 372044083 /nfs/dbraw/zinc/04/40/83/372044083.db2.gz NEROIKOZRXETDD-UHFFFAOYSA-N 0 0 237.100 2.531 10 30 BFEERN C=C[C@@H](C)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229244202 372131717 /nfs/dbraw/zinc/13/17/17/372131717.db2.gz QZVUIMIXSDVECB-SSDOTTSWSA-N 0 0 210.208 2.720 10 30 BFEERN C[C@@](Br)(C#N)CC1CCC1 ZINC000229753048 372191354 /nfs/dbraw/zinc/19/13/54/372191354.db2.gz BVEBOAUATKUVME-QMMMGPOBSA-N 0 0 202.095 2.854 10 30 BFEERN CCC1COC(c2ccc(C#N)cc2)OC1 ZINC000038636556 372724289 /nfs/dbraw/zinc/72/42/89/372724289.db2.gz YWSBRIQSYKROHJ-UHFFFAOYSA-N 0 0 217.268 2.630 10 30 BFEERN O=C(CS)Nc1cc(Cl)cc(Cl)c1 ZINC000000152756 182006029 /nfs/dbraw/zinc/00/60/29/182006029.db2.gz VOGOHSQXQBVMBT-UHFFFAOYSA-N 0 0 236.123 2.862 10 30 BFEERN Cc1ccc2ccc(=S)n3c(C#N)nc1c23 ZINC000039125026 372877318 /nfs/dbraw/zinc/87/73/18/372877318.db2.gz ZRIAPSRUKOCAPG-UHFFFAOYSA-N 0 0 225.276 2.835 10 30 BFEERN O=C1C=CO[C@H](c2ccc(F)c(F)c2)C1 ZINC000069850350 373876636 /nfs/dbraw/zinc/87/66/36/373876636.db2.gz JTHOPGFWXUWBMR-NSHDSACASA-N 0 0 210.179 2.509 10 30 BFEERN CCCCOc1ccc(CCC=O)cc1 ZINC000034239012 168918123 /nfs/dbraw/zinc/91/81/23/168918123.db2.gz BDJUTJCWEWKYNG-UHFFFAOYSA-N 0 0 206.285 2.997 10 30 BFEERN CCCC[C@@](C)(O)c1ccc(C#N)cc1 ZINC000039602835 168977565 /nfs/dbraw/zinc/97/75/65/168977565.db2.gz XHQHGMYHZBIMNW-CYBMUJFWSA-N 0 0 203.285 2.956 10 30 BFEERN CCCCc1noc(Cc2ccc(C#N)cc2)n1 ZINC000225262246 169030086 /nfs/dbraw/zinc/03/00/86/169030086.db2.gz LUGTVDDIOMFTBU-UHFFFAOYSA-N 0 0 241.294 2.875 10 30 BFEERN CCCCn1nnc(C#N)c1-c1ccccc1 ZINC000062290324 169039899 /nfs/dbraw/zinc/03/98/99/169039899.db2.gz OXTYHNCGXCZDEA-UHFFFAOYSA-N 0 0 226.283 2.617 10 30 BFEERN CCCN(CC)C(=O)[C@H](C#N)c1ccccc1 ZINC000061614383 169116767 /nfs/dbraw/zinc/11/67/67/169116767.db2.gz JPQXWSBFIJURPO-CYBMUJFWSA-N 0 0 230.311 2.552 10 30 BFEERN Oc1ccc(/C=N/c2ccccc2O)cc1O ZINC000059518447 183267239 /nfs/dbraw/zinc/26/72/39/183267239.db2.gz BSVVLXIGPDFSEZ-RIYZIHGNSA-N 0 0 229.235 2.554 10 30 BFEERN CCCN(c1ccc(N)cc1C#N)C(C)C ZINC000041020717 169182361 /nfs/dbraw/zinc/18/23/61/169182361.db2.gz NATIEBWFRFWETP-UHFFFAOYSA-N 0 0 217.316 2.765 10 30 BFEERN SCc1ccc(Br)s1 ZINC000077302409 183316169 /nfs/dbraw/zinc/31/61/69/183316169.db2.gz HUMCNWSCYYXVKU-UHFFFAOYSA-N 0 0 209.133 2.940 10 30 BFEERN CCCN[C@@H](C#N)c1cc(F)c(F)c(F)c1 ZINC000062711905 169273282 /nfs/dbraw/zinc/27/32/82/169273282.db2.gz MNIJUMFEKZOHTP-JTQLQIEISA-N 0 0 228.217 2.668 10 30 BFEERN CCCN[C@@H](C#N)c1ccccc1Cl ZINC000020173626 169273514 /nfs/dbraw/zinc/27/35/14/169273514.db2.gz IKDHTOBYPIFNPV-NSHDSACASA-N 0 0 208.692 2.904 10 30 BFEERN CCCN[C@@H](C#N)c1ccc(F)c(F)c1 ZINC000020380564 169273795 /nfs/dbraw/zinc/27/37/95/169273795.db2.gz OCZDWSHAANIHST-NSHDSACASA-N 0 0 210.227 2.529 10 30 BFEERN CCCOc1ccc(C(=O)CCC#N)cc1 ZINC000024863528 169316823 /nfs/dbraw/zinc/31/68/23/169316823.db2.gz YRGXVVKRSHBPAC-UHFFFAOYSA-N 0 0 217.268 2.962 10 30 BFEERN CCC[C@@H](C#N)NC(=O)Nc1ccccc1F ZINC000040220757 169342612 /nfs/dbraw/zinc/34/26/12/169342612.db2.gz OMFZNNJMBIFGKP-VIFPVBQESA-N 0 0 235.262 2.639 10 30 BFEERN CCCOc1ccc([C@H](C#N)NC2CC2)cc1 ZINC000020176398 169321369 /nfs/dbraw/zinc/32/13/69/169321369.db2.gz GSXVOTKZSRAGBP-AWEZNQCLSA-N 0 0 230.311 2.792 10 30 BFEERN CCCOc1cccc([C@H](C#N)NCC)c1 ZINC000020176612 169325760 /nfs/dbraw/zinc/32/57/60/169325760.db2.gz QFYCHSIPIXMLCY-ZDUSSCGKSA-N 0 0 218.300 2.650 10 30 BFEERN CC(C)(C)OC(=O)N1CCC(CCC=O)CC1 ZINC000038531741 166646796 /nfs/dbraw/zinc/64/67/96/166646796.db2.gz KJGPCTZYGOOHBK-UHFFFAOYSA-N 0 0 241.331 2.613 10 30 BFEERN CCC[C@H](C#N)NC(=O)Nc1ccc(F)cc1 ZINC000040220767 169464329 /nfs/dbraw/zinc/46/43/29/169464329.db2.gz SPJYHXNVUVANJZ-LLVKDONJSA-N 0 0 235.262 2.639 10 30 BFEERN CCCc1ccc(OC[C@H](C#N)NC(C)C)cc1 ZINC000053334322 169572399 /nfs/dbraw/zinc/57/23/99/169572399.db2.gz XMOWUPBGAZJIJI-AWEZNQCLSA-N 0 0 246.354 2.908 10 30 BFEERN CCCCOCCNc1cc(C)nc(C)c1C#N ZINC000127348531 383856083 /nfs/dbraw/zinc/85/60/83/383856083.db2.gz URAOPPCMWQUGMV-UHFFFAOYSA-N 0 0 247.342 2.799 10 30 BFEERN O=CC1=C(O)C(=Cc2ccccc2)CCC1 ZINC000001705352 383924947 /nfs/dbraw/zinc/92/49/47/383924947.db2.gz DIQQESKBTLPISF-SRXBQZRASA-N 0 0 214.264 2.638 10 30 BFEERN C=CC[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000116944096 383942956 /nfs/dbraw/zinc/94/29/56/383942956.db2.gz SVDNWZWBVLFHQI-MWLCHTKSSA-N 0 0 236.315 2.913 10 30 BFEERN N#C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000226615672 384084155 /nfs/dbraw/zinc/08/41/55/384084155.db2.gz HWLDVDBMLGXAHB-GBJTYRQASA-N 0 0 226.323 2.824 10 30 BFEERN C[C@H](NCCC#N)c1ccc(Cl)s1 ZINC000035286326 384125124 /nfs/dbraw/zinc/12/51/24/384125124.db2.gz RGTVXSVXNIKEAJ-ZETCQYMHSA-N 0 0 214.721 2.966 10 30 BFEERN Cc1ccc([C@H](C)NC(=O)c2ccc(C#N)o2)o1 ZINC000336794516 384278120 /nfs/dbraw/zinc/27/81/20/384278120.db2.gz CNEJNIDLXFCRNE-VIFPVBQESA-N 0 0 244.250 2.544 10 30 BFEERN C[C@@H]1OCC[C@H]1Nc1cccc(Cl)c1C#N ZINC000134559255 384351718 /nfs/dbraw/zinc/35/17/18/384351718.db2.gz MKSPELFFGRUHQL-GZMMTYOYSA-N 0 0 236.702 2.801 10 30 BFEERN Fc1cccc(C[C@@H]2COCC[C@H]2S)c1 ZINC000095077105 384352840 /nfs/dbraw/zinc/35/28/40/384352840.db2.gz VRSLPLZYMKLYDD-ZYHUDNBSSA-N 0 0 226.316 2.703 10 30 BFEERN Fc1ccc(C[C@@H]2COCC[C@H]2S)cc1 ZINC000095077119 384353322 /nfs/dbraw/zinc/35/33/22/384353322.db2.gz JVMLZIVVMNDBMK-ZYHUDNBSSA-N 0 0 226.316 2.703 10 30 BFEERN CC(C)(C)OC(=O)N1CCC[C@@](C)(S)C1 ZINC000095084670 384361115 /nfs/dbraw/zinc/36/11/15/384361115.db2.gz DXJHUIWXPHDJNX-LLVKDONJSA-N 0 0 231.361 2.706 10 30 BFEERN CCc1cc(OC)cc(OC(F)F)c1CC#N ZINC000575658492 384396056 /nfs/dbraw/zinc/39/60/56/384396056.db2.gz URUHSPVTFFPONQ-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCc1cc(OC(F)F)c(C#N)cc1[N+](=O)[O-] ZINC000575659321 384399398 /nfs/dbraw/zinc/39/93/98/384399398.db2.gz KOGGUBDENLZMTK-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN Cc1cc(F)cc(CC#N)c1OC(F)F ZINC000575661069 384413958 /nfs/dbraw/zinc/41/39/58/384413958.db2.gz HVDXAMRNAZHLHM-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN CCOc1cc(C#N)c(OC(F)F)cc1F ZINC000575657621 384386065 /nfs/dbraw/zinc/38/60/65/384386065.db2.gz YENJVJWZDLDPIX-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN N#CCc1cc(O)c(F)c(C(F)F)c1 ZINC000575667335 384441368 /nfs/dbraw/zinc/44/13/68/384441368.db2.gz JNSLECAPXFZQRM-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN Cc1cc(N2C[C@@H](C)[C@H](C)C2)c(C#N)c(C)n1 ZINC000157457966 384478857 /nfs/dbraw/zinc/47/88/57/384478857.db2.gz OCNXQQDBDXIMSI-NXEZZACHSA-N 0 0 229.327 2.662 10 30 BFEERN CCCc1nc(C#N)ccc1Br ZINC000098177695 384500093 /nfs/dbraw/zinc/50/00/93/384500093.db2.gz JQYRLLCHYJZUQY-UHFFFAOYSA-N 0 0 225.089 2.668 10 30 BFEERN C[C@H]1CCC[C@]1(O)c1ccc(C#N)cc1 ZINC000521400974 384628319 /nfs/dbraw/zinc/62/83/19/384628319.db2.gz DMOXVPIQRVEDJF-GXFFZTMASA-N 0 0 201.269 2.566 10 30 BFEERN CC[C@H](NC(=O)C1(C#N)CCCC1)C(C)C ZINC000044386134 384663519 /nfs/dbraw/zinc/66/35/19/384663519.db2.gz FQJQNOSJFFUESR-NSHDSACASA-N 0 0 222.332 2.621 10 30 BFEERN FC(F)(F)c1ccccc1C[C@H]1CO1 ZINC000082164464 384651339 /nfs/dbraw/zinc/65/13/39/384651339.db2.gz MMFCMICIKUOWGM-QMMMGPOBSA-N 0 0 202.175 2.647 10 30 BFEERN CCn1c2ccccc2c2oc(C#N)cc(=O)c21 ZINC000039256298 384677298 /nfs/dbraw/zinc/67/72/98/384677298.db2.gz JLYSISATEGWXFV-UHFFFAOYSA-N 0 0 238.246 2.639 10 30 BFEERN C[C@H]1CN(c2ccc(C#N)cc2F)CCS1 ZINC000135471296 384726682 /nfs/dbraw/zinc/72/66/82/384726682.db2.gz KCRTTWYZQGDJOW-VIFPVBQESA-N 0 0 236.315 2.639 10 30 BFEERN O=C(C=Cc1ccccc1)C[C@H](O)C(F)(F)F ZINC000043463974 384830866 /nfs/dbraw/zinc/83/08/66/384830866.db2.gz VFBBNTQRYMVZPO-MLRMMBSGSA-N 0 0 244.212 2.582 10 30 BFEERN CCOc1cc(N)cc(C(F)(F)F)c1CC#N ZINC000575718139 384886028 /nfs/dbraw/zinc/88/60/28/384886028.db2.gz QGNODWSXHVWJAM-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN COc1c(C#N)cnc2c(C)cc(F)cc21 ZINC000072237070 384840656 /nfs/dbraw/zinc/84/06/56/384840656.db2.gz MXYJYHVTCRDSEE-UHFFFAOYSA-N 0 0 216.215 2.563 10 30 BFEERN N#CCCCN1CCC[C@@H]1c1nccs1 ZINC000370784178 384854578 /nfs/dbraw/zinc/85/45/78/384854578.db2.gz UQIUFYUUNMOFIY-SNVBAGLBSA-N 0 0 221.329 2.584 10 30 BFEERN O=CCCc1cc(Br)cs1 ZINC000060710398 384860444 /nfs/dbraw/zinc/86/04/44/384860444.db2.gz WXDDMGJNASORKY-UHFFFAOYSA-N 0 0 219.103 2.642 10 30 BFEERN Cc1csc(CN[C@H]2CCCC[C@H]2C#N)n1 ZINC000054825976 384895843 /nfs/dbraw/zinc/89/58/43/384895843.db2.gz SIKCLMJRLGHXLO-QWRGUYRKSA-N 0 0 235.356 2.624 10 30 BFEERN Cc1nc(CN[C@H]2CCCC[C@@H]2C#N)cs1 ZINC000054826254 384896532 /nfs/dbraw/zinc/89/65/32/384896532.db2.gz ODLVLZSJQGFGPL-PWSUYJOCSA-N 0 0 235.356 2.624 10 30 BFEERN Cc1csc(CN[C@@H]2CCCC[C@H]2C#N)n1 ZINC000054825975 384896581 /nfs/dbraw/zinc/89/65/81/384896581.db2.gz SIKCLMJRLGHXLO-WDEREUQCSA-N 0 0 235.356 2.624 10 30 BFEERN C=CCc1ccc2c(c1Cl)COC2=O ZINC000145921709 385036549 /nfs/dbraw/zinc/03/65/49/385036549.db2.gz QNPJKAFRCUEANY-UHFFFAOYSA-N 0 0 208.644 2.739 10 30 BFEERN N#CCc1cc(F)c(OC(F)(F)F)c(C#N)c1 ZINC000575647032 385085702 /nfs/dbraw/zinc/08/57/02/385085702.db2.gz KXWLTMFGZMZHLK-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN Cc1cc(C#N)nc(N2CCCC23CCCC3)n1 ZINC000310851040 385195610 /nfs/dbraw/zinc/19/56/10/385195610.db2.gz PPWXRRNIHUBSCP-UHFFFAOYSA-N 0 0 242.326 2.570 10 30 BFEERN Cc1cc(C#N)cc(Br)c1C ZINC000258117845 385539827 /nfs/dbraw/zinc/53/98/27/385539827.db2.gz SVABZAFZHUWKDZ-UHFFFAOYSA-N 0 0 210.074 2.938 10 30 BFEERN COc1c(C#N)cc(F)cc1C(F)F ZINC000258182888 385552093 /nfs/dbraw/zinc/55/20/93/385552093.db2.gz QYNHLABQEIDTLK-UHFFFAOYSA-N 0 0 201.147 2.644 10 30 BFEERN C[C@H](Nc1ccc(C#N)cn1)C(C)(C)C ZINC000085705512 385635787 /nfs/dbraw/zinc/63/57/87/385635787.db2.gz XBRRVVWNXCKUSB-VIFPVBQESA-N 0 0 203.289 2.800 10 30 BFEERN CC#C[C@H](O)c1cccc(Br)c1 ZINC000307318352 385852498 /nfs/dbraw/zinc/85/24/98/385852498.db2.gz QKMALUDYELEYKV-JTQLQIEISA-N 0 0 225.085 2.506 10 30 BFEERN CC(C)(C)OC(=O)n1ncc2ccc(C#N)cc21 ZINC000087493363 386474533 /nfs/dbraw/zinc/47/45/33/386474533.db2.gz ZWGFIBZNRWWYRB-UHFFFAOYSA-N 0 0 243.266 2.691 10 30 BFEERN CC[C@@H](CC#N)NC(=O)C[C@H](C)C(C)(C)C ZINC000108943380 134500061 /nfs/dbraw/zinc/50/00/61/134500061.db2.gz XNYKUVRUOGSWNK-QWRGUYRKSA-N 0 0 224.348 2.867 10 30 BFEERN N#CCC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F ZINC000129500226 386464194 /nfs/dbraw/zinc/46/41/94/386464194.db2.gz MMEIIJLQBPDEBZ-YUMQZZPRSA-N 0 0 219.206 2.838 10 30 BFEERN Cc1cc(C#N)cc(OC(F)F)c1CC#N ZINC000575641623 386576413 /nfs/dbraw/zinc/57/64/13/386576413.db2.gz RQQKHZFYUWFXPN-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CC(C)CC(C)(C)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408421208 386566435 /nfs/dbraw/zinc/56/64/35/386566435.db2.gz GWABQYDUYHUZJI-VXGBXAGGSA-N 0 0 236.359 2.867 10 30 BFEERN C=CCc1ccccc1OCC(=O)NC(C)(C)C ZINC000001284687 386635627 /nfs/dbraw/zinc/63/56/27/386635627.db2.gz LDZSENFECWQJKR-UHFFFAOYSA-N 0 0 247.338 2.709 10 30 BFEERN C[C@@H]1C[C@@H]1NC(=O)C[C@H]1CCCCC(=O)N1 ZINC000328652068 386604047 /nfs/dbraw/zinc/60/40/47/386604047.db2.gz JWGAXISNKWSKAL-BBBLOLIVSA-N 0 0 224.304 2.641 10 30 BFEERN C=CCOCC(F)(F)[C@H](F)C(F)(F)F ZINC000098210629 386684053 /nfs/dbraw/zinc/68/40/53/386684053.db2.gz QTTFAPJIPLUWAL-YFKPBYRVSA-N 0 0 222.128 2.725 10 30 BFEERN COC(=O)c1cc(F)c(C(F)(F)F)cc1C#N ZINC000575345033 386711714 /nfs/dbraw/zinc/71/17/14/386711714.db2.gz QFFDZXSUXGYTBJ-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN CCOC(=O)c1cc(C#N)c(C)c(C(F)F)c1 ZINC000575343621 386690723 /nfs/dbraw/zinc/69/07/23/386690723.db2.gz RCUZBBQKSWMJSA-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN CCOC(=O)c1c(C#N)ccc(C)c1C(F)F ZINC000575343539 386691243 /nfs/dbraw/zinc/69/12/43/386691243.db2.gz GHYVHWOKXUPUBE-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)Cc1ccc(C)c(C(F)F)c1C#N ZINC000575344181 386691433 /nfs/dbraw/zinc/69/14/33/386691433.db2.gz TWLFATYDHKOPBV-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN CCOC(=O)c1ccc(C#N)c(C(F)F)c1C ZINC000575343536 386691644 /nfs/dbraw/zinc/69/16/44/386691644.db2.gz GCJBOUXYBJHDNY-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN CCOC(=O)c1c(C)ccc(C(F)F)c1C#N ZINC000575343533 386691698 /nfs/dbraw/zinc/69/16/98/386691698.db2.gz FRCPEMZPFFDEKF-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)Cc1c(C)cc(C#N)cc1C(F)F ZINC000575344196 386691795 /nfs/dbraw/zinc/69/17/95/386691795.db2.gz UPSSBXGHLVSOQA-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN COC(=O)c1cc(C(F)(F)F)cc(C#N)c1F ZINC000575344867 386712131 /nfs/dbraw/zinc/71/21/31/386712131.db2.gz DCUONWGJSZPLDI-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN CCOC(=O)c1cc(C#N)cc(C(F)(F)F)c1 ZINC000575345323 386708825 /nfs/dbraw/zinc/70/88/25/386708825.db2.gz RJESLQAEDOCQTI-UHFFFAOYSA-N 0 0 243.184 2.754 10 30 BFEERN Cc1cnc([C@H](C)N[C@@H]2CCC[C@H](C#N)C2)o1 ZINC000408446949 386816664 /nfs/dbraw/zinc/81/66/64/386816664.db2.gz SYJXCDYTLKIHTN-SDDRHHMPSA-N 0 0 233.315 2.716 10 30 BFEERN CCOC(=O)c1ccc(C#N)c(CC)c1CC ZINC000575385601 386944853 /nfs/dbraw/zinc/94/48/53/386944853.db2.gz OZGGGCLRBRFWAV-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)Cc1cc(CC)c(C#N)cc1CC ZINC000575385527 386945733 /nfs/dbraw/zinc/94/57/33/386945733.db2.gz XVTJUBGYDXEACH-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCc1c(C#N)cc(C(=O)OC)cc1C(F)F ZINC000575389441 386953352 /nfs/dbraw/zinc/95/33/52/386953352.db2.gz IGWHSHWKWOVRIN-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)Cc1cc(C)c(CC)cc1C#N ZINC000575389096 386953573 /nfs/dbraw/zinc/95/35/73/386953573.db2.gz XHTYUHYPEZENMW-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1cc(C(=O)OC)c(C#N)c(C(F)F)c1 ZINC000575389762 386954208 /nfs/dbraw/zinc/95/42/08/386954208.db2.gz QHMNYJMAKAIZNX-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)c1c(C#N)ccc(F)c1C(F)F ZINC000575389697 386955033 /nfs/dbraw/zinc/95/50/33/386955033.db2.gz KDHUFSZKKXVEDK-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)c1c(F)cc(C(F)F)cc1C#N ZINC000575389730 386955130 /nfs/dbraw/zinc/95/51/30/386955130.db2.gz NQHKMHMAHSLLTJ-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)c1cc(C#N)cc(C(F)F)c1F ZINC000575389890 386955341 /nfs/dbraw/zinc/95/53/41/386955341.db2.gz STOFUIHVVSONMH-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN COC(=O)c1ccc(C#N)c(C(F)(F)F)c1F ZINC000575390550 386961037 /nfs/dbraw/zinc/96/10/37/386961037.db2.gz WIJGVGDRPUPAQR-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN CCOC(=O)Cc1c(C#N)cc(C)cc1CC ZINC000575388767 386950895 /nfs/dbraw/zinc/95/08/95/386950895.db2.gz DMUZSHOHUIOTHT-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOc1ccc(F)c(C#N)c1OC(F)F ZINC000575654700 387037848 /nfs/dbraw/zinc/03/78/48/387037848.db2.gz DHKJLSQJCHKUKD-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCc1cc(OC(F)F)c(CC#N)cc1O ZINC000575654994 387038408 /nfs/dbraw/zinc/03/84/08/387038408.db2.gz JNTIDQTXNFDLPZ-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCOc1c(C)ccc(OC(F)F)c1C#N ZINC000575655554 387039356 /nfs/dbraw/zinc/03/93/56/387039356.db2.gz AEWATQNKQCXPGY-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1c(C#N)ccc(F)c1OC(F)F ZINC000575656437 387042324 /nfs/dbraw/zinc/04/23/24/387042324.db2.gz PXDMIWUSGYDHGL-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1ccc(OC(F)F)c(F)c1C#N ZINC000575656753 387042464 /nfs/dbraw/zinc/04/24/64/387042464.db2.gz SCESJJCLTPBTSI-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN C=C(Cl)Cc1c(O)cc(F)cc1F ZINC000575579108 387047825 /nfs/dbraw/zinc/04/78/25/387047825.db2.gz XXWLABSXYHADFM-UHFFFAOYSA-N 0 0 204.603 2.965 10 30 BFEERN CCc1ccc([N+](=O)[O-])c(C#N)c1OC(F)F ZINC000575658508 387048164 /nfs/dbraw/zinc/04/81/64/387048164.db2.gz GBPBYIKWYNVDGX-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN CCc1cc(CC#N)cc(OC(F)F)c1OC ZINC000575659141 387049366 /nfs/dbraw/zinc/04/93/66/387049366.db2.gz WADGPRGZTPOBQD-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1ccc(OC(F)F)c(CC#N)c1F ZINC000575657967 387050619 /nfs/dbraw/zinc/05/06/19/387050619.db2.gz ZHLSYFHHZZDDBA-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN COc1c(CC#N)ccc(F)c1OC(F)F ZINC000575660232 387053939 /nfs/dbraw/zinc/05/39/39/387053939.db2.gz PZTFXPJVAHAPPL-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN Cc1c(F)c(CC#N)ccc1OC(F)F ZINC000575660829 387054117 /nfs/dbraw/zinc/05/41/17/387054117.db2.gz AACCTHFGWDNFHZ-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN Cc1ccc(F)c(C#N)c1OC(F)F ZINC000575661153 387063798 /nfs/dbraw/zinc/06/37/98/387063798.db2.gz KJHDKSAZBRLHLY-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN C[C@@H]1CSC(Nc2cccc(F)c2)=N1 ZINC000035294907 387071838 /nfs/dbraw/zinc/07/18/38/387071838.db2.gz QRCLVKNEYUAZOY-SSDOTTSWSA-N 0 0 210.277 2.538 10 30 BFEERN C=C(Cl)CN1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000246365863 387078993 /nfs/dbraw/zinc/07/89/93/387078993.db2.gz XWGAGOWSFCDFHJ-CMPLNLGQSA-N 0 0 239.750 2.519 10 30 BFEERN Cc1cc(F)cc(OC(F)F)c1C#N ZINC000575661715 387112940 /nfs/dbraw/zinc/11/29/40/387112940.db2.gz VHKSNWOMXAUXRX-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN Cc1cc(OC(F)F)cc(F)c1C#N ZINC000575661704 387113135 /nfs/dbraw/zinc/11/31/35/387113135.db2.gz UQKCAFHKHLAOAC-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN COC(=O)c1cccc(C#Cc2ccccc2)c1 ZINC000072266171 387122213 /nfs/dbraw/zinc/12/22/13/387122213.db2.gz DIOFUMRRFPINEJ-UHFFFAOYSA-N 0 0 236.270 2.873 10 30 BFEERN N#C[C@]1(c2cccc(Cl)c2)CCOC1 ZINC000238548020 387156883 /nfs/dbraw/zinc/15/68/83/387156883.db2.gz VVWWSGYRRIJOKS-LLVKDONJSA-N 0 0 207.660 2.522 10 30 BFEERN Cc1cc(C#N)c(F)cc1OC(F)F ZINC000575661997 387165268 /nfs/dbraw/zinc/16/52/68/387165268.db2.gz YULAMGLFSZCQKW-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN CC1(C)CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000228999284 387137414 /nfs/dbraw/zinc/13/74/14/387137414.db2.gz ISDVSJFSGBATEO-UTUOFQBUSA-N 0 0 234.343 2.621 10 30 BFEERN C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000424697321 387251648 /nfs/dbraw/zinc/25/16/48/387251648.db2.gz CYUDYNLFGFKQES-NDBYEHHHSA-N 0 0 234.343 2.621 10 30 BFEERN C[C@@H]1CCC[C@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495744 387311836 /nfs/dbraw/zinc/31/18/36/387311836.db2.gz AJWAFJFIKMFYOV-BXKDBHETSA-N 0 0 224.304 2.593 10 30 BFEERN COc1cc(C)cc(OC(F)F)c1CC#N ZINC000575666740 387319108 /nfs/dbraw/zinc/31/91/08/387319108.db2.gz ZPJMUKBWYZUMBY-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN C#CCNc1ccc(Br)c(F)c1C ZINC000575493576 387266498 /nfs/dbraw/zinc/26/64/98/387266498.db2.gz RWQHRIOFAKMXQF-UHFFFAOYSA-N 0 0 242.091 2.942 10 30 BFEERN COc1cc(CC#N)cc(OC(F)F)c1C ZINC000575664461 387291638 /nfs/dbraw/zinc/29/16/38/387291638.db2.gz GCCBJRYHTHTHOX-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN Cc1cc(C#N)nn1C[C@H]1C[C@@H]1c1ccccc1 ZINC000575601466 387359909 /nfs/dbraw/zinc/35/99/09/387359909.db2.gz BAHZANVDLSTZCQ-UKRRQHHQSA-N 0 0 237.306 2.867 10 30 BFEERN Cc1cc(C#N)nn1C[C@@H]1C[C@H]1c1ccccc1 ZINC000575601467 387360052 /nfs/dbraw/zinc/36/00/52/387360052.db2.gz BAHZANVDLSTZCQ-ZFWWWQNUSA-N 0 0 237.306 2.867 10 30 BFEERN CSc1ccc([C@@H]2C[C@H]2/C=N/O)cc1 ZINC000575602941 387367534 /nfs/dbraw/zinc/36/75/34/387367534.db2.gz WMAMDKRSDIIIMH-PVVVZYFZSA-N 0 0 207.298 2.972 10 30 BFEERN O=C(c1occc1Br)C1=CCCO1 ZINC000575506381 387372119 /nfs/dbraw/zinc/37/21/19/387372119.db2.gz GPJQUYMJFXCMBM-UHFFFAOYSA-N 0 0 243.056 2.529 10 30 BFEERN Cc1c(F)ccc(Br)c1CC#N ZINC000575689631 387377476 /nfs/dbraw/zinc/37/74/76/387377476.db2.gz WMDLQAJYIDLGSO-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN Cc1cc(O)cc(Br)c1CC#N ZINC000575690890 387381715 /nfs/dbraw/zinc/38/17/15/387381715.db2.gz FJZVCQPGYLGMDG-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN Cc1cc(OC(F)F)c([N+](=O)[O-])cc1CC#N ZINC000575667528 387322126 /nfs/dbraw/zinc/32/21/26/387322126.db2.gz OMSITKAMOASMRT-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN N#CCc1cc(C(F)F)cc(O)c1F ZINC000575668476 387326428 /nfs/dbraw/zinc/32/64/28/387326428.db2.gz QVEPRZYZCIXZSO-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN N#Cc1c(F)cc([N+](=O)[O-])cc1C(F)F ZINC000575670164 387330005 /nfs/dbraw/zinc/33/00/05/387330005.db2.gz WNDLGVLPUWMPAM-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN CCOc1cc(F)cc(C#N)c1OC(F)(F)F ZINC000575669924 387333206 /nfs/dbraw/zinc/33/32/06/387333206.db2.gz BHOIFAONVGHKRP-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN Cc1cc(C(F)(F)F)cc(CC#N)c1[N+](=O)[O-] ZINC000575674097 387343975 /nfs/dbraw/zinc/34/39/75/387343975.db2.gz OVKBLQUOFSAFPS-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN O=C(/C=C/Cl)c1ncccc1Br ZINC000575517075 387426672 /nfs/dbraw/zinc/42/66/72/387426672.db2.gz ISYNVSYMURXSSV-ONEGZZNKSA-N 0 0 246.491 2.779 10 30 BFEERN CCc1c(N)ccc(C(F)(F)F)c1CC#N ZINC000575718747 387429138 /nfs/dbraw/zinc/42/91/38/387429138.db2.gz OTVSMXNQMZOBFK-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN Cc1c(N)cc(C(F)(F)F)cc1CC#N ZINC000575719548 387439640 /nfs/dbraw/zinc/43/96/40/387439640.db2.gz FPWAPHCVXOBXIQ-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN Cc1ccc(CC#N)c(C(F)(F)F)c1N ZINC000575720215 387441320 /nfs/dbraw/zinc/44/13/20/387441320.db2.gz SHLCTLDVNKCFRR-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN CCOc1c(CC#N)cc(CC)cc1[N+](=O)[O-] ZINC000575697076 387399106 /nfs/dbraw/zinc/39/91/06/387399106.db2.gz SOWIJPOASMHKNZ-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN N#CCc1cc(O)c(F)c(C(F)(F)F)c1 ZINC000575702438 387406868 /nfs/dbraw/zinc/40/68/68/387406868.db2.gz DSBBPGUCEAIKJQ-UHFFFAOYSA-N 0 0 219.137 2.616 10 30 BFEERN COc1cc(C(F)(F)F)c(CC#N)cc1F ZINC000575707463 387410937 /nfs/dbraw/zinc/41/09/37/387410937.db2.gz BYZHLCOKSDQZHI-UHFFFAOYSA-N 0 0 233.164 2.919 10 30 BFEERN COc1cc(OC(F)(F)F)c(F)cc1CC#N ZINC000575707577 387411857 /nfs/dbraw/zinc/41/18/57/387411857.db2.gz FNWMCYDIDHBJLN-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN COc1ccc(F)c(CC#N)c1SC ZINC000575708791 387414075 /nfs/dbraw/zinc/41/40/75/387414075.db2.gz QOKAKSBCUZHUHJ-UHFFFAOYSA-N 0 0 211.261 2.622 10 30 BFEERN COC(=O)c1c(C#N)ccc(C(F)F)c1Cl ZINC000575712011 387415036 /nfs/dbraw/zinc/41/50/36/387415036.db2.gz CVOKOMJFJYZTCI-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN CCc1cc(Br)c(N)c(CC#N)c1 ZINC000575714006 387417980 /nfs/dbraw/zinc/41/79/80/387417980.db2.gz ISSSEAUIOYSVJK-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN Cc1cc(N)cc(CC#N)c1C(F)(F)F ZINC000575719493 387423271 /nfs/dbraw/zinc/42/32/71/387423271.db2.gz DNXZZBJJIRSFCI-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN c1ccc2c(c1)cccc2NC1=NCCCO1 ZINC000013858509 387596389 /nfs/dbraw/zinc/59/63/89/387596389.db2.gz UHPXLTPMOSMURE-UHFFFAOYSA-N 0 0 226.279 2.837 10 30 BFEERN C/C=C/C(=O)c1ncccc1Br ZINC000575548469 387646080 /nfs/dbraw/zinc/64/60/80/387646080.db2.gz DMXTWGISAZXVMV-DUXPYHPUSA-N 0 0 226.073 2.603 10 30 BFEERN CCOc1cccc(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000054825521 387829734 /nfs/dbraw/zinc/82/97/34/387829734.db2.gz JRGLZXMUDLOWKC-UKRRQHHQSA-N 0 0 244.338 2.867 10 30 BFEERN Cc1cc(CC#N)c(C#N)c(OC(F)F)c1 ZINC000575640182 387838755 /nfs/dbraw/zinc/83/87/55/387838755.db2.gz FXRQOOHTZGHIQB-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CCOc1cc(C#N)cc(CC#N)c1C(F)F ZINC000575642233 387846020 /nfs/dbraw/zinc/84/60/20/387846020.db2.gz VVDKQTVGJWVPOF-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN CCOc1cc(C#N)c(CC#N)cc1C(F)F ZINC000575642222 387846351 /nfs/dbraw/zinc/84/63/51/387846351.db2.gz VQAVBCSYIJEKPX-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN CCOc1cc(C#N)cc(C(F)F)c1CC#N ZINC000575641245 387846615 /nfs/dbraw/zinc/84/66/15/387846615.db2.gz MHGFJPKISOSYKD-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN C[C@H]1CCC[C@@H]1C(=O)N(C)c1ccc(C#N)cc1 ZINC000230058390 387847627 /nfs/dbraw/zinc/84/76/27/387847627.db2.gz VJZGPZCVOJIEBH-FZMZJTMJSA-N 0 0 242.322 2.957 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1 ZINC000061888652 387848652 /nfs/dbraw/zinc/84/86/52/387848652.db2.gz PIZOLRYWOLYOHO-PWSUYJOCSA-N 0 0 248.713 2.762 10 30 BFEERN COc1cc(C#N)c(CC#N)cc1C(F)F ZINC000575643330 387862844 /nfs/dbraw/zinc/86/28/44/387862844.db2.gz PMXKKKCIKHNPKT-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN N#CCc1cc(Cl)nc(OC(F)(F)F)c1 ZINC000238528063 387872282 /nfs/dbraw/zinc/87/22/82/387872282.db2.gz FVTQSGAXYKYMBZ-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN COc1cc(C(F)F)c(C#N)cc1CC#N ZINC000575644415 387872570 /nfs/dbraw/zinc/87/25/70/387872570.db2.gz ZTEWHOUETATLSH-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN COc1cc(C(F)(F)F)cc(C#N)c1CC#N ZINC000575648058 387891067 /nfs/dbraw/zinc/89/10/67/387891067.db2.gz NMSVYBMNWGHVEQ-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN N#CCc1c(C#N)c(F)ccc1C(F)(F)F ZINC000575650330 387891520 /nfs/dbraw/zinc/89/15/20/387891520.db2.gz XHACNWIXOMSCTB-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN Cc1cc(C)c(OC(F)F)c(CC#N)c1 ZINC000575652868 387892411 /nfs/dbraw/zinc/89/24/11/387892411.db2.gz MIPSDUXMTDPGCV-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN N#CCc1ccc(C#N)c(F)c1C(F)(F)F ZINC000575648135 387893486 /nfs/dbraw/zinc/89/34/86/387893486.db2.gz ORGLZDPBHVQBNM-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN CCc1c(F)cc(OC(F)F)cc1C#N ZINC000575653224 387894261 /nfs/dbraw/zinc/89/42/61/387894261.db2.gz BOHOBNFUOSTKBS-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1cc(F)cc(C#N)c1OC(F)F ZINC000575653196 387894710 /nfs/dbraw/zinc/89/47/10/387894710.db2.gz ABFKUQNLGVLQJO-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1cc(C#N)cc(F)c1OC(F)F ZINC000575653670 387896321 /nfs/dbraw/zinc/89/63/21/387896321.db2.gz LZTUDXIKZHQSTQ-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1cc(F)c(C#N)cc1OC(F)F ZINC000575653774 387896780 /nfs/dbraw/zinc/89/67/80/387896780.db2.gz OFZSHVNUZVKVKO-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN COc1cc(C#N)c(CC#N)c(C(F)(F)F)c1 ZINC000575644594 387876278 /nfs/dbraw/zinc/87/62/78/387876278.db2.gz ABRDJWKSLDRIAK-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN N#CCc1cc(C#N)c(F)c(C(F)(F)F)c1 ZINC000575646390 387880245 /nfs/dbraw/zinc/88/02/45/387880245.db2.gz IILWKHDMHQAJBL-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN Cc1c(C#N)cc(C(F)(F)F)cc1CC#N ZINC000575646476 387882716 /nfs/dbraw/zinc/88/27/16/387882716.db2.gz JQDBKLAOOOTTIB-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN N#CCc1cc(C#N)c(OC(F)(F)F)cc1F ZINC000575649320 387886346 /nfs/dbraw/zinc/88/63/46/387886346.db2.gz VCYCKYWHBRPFOX-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN N#CCc1cc(C#N)c(F)cc1C(F)(F)F ZINC000575649890 387887665 /nfs/dbraw/zinc/88/76/65/387887665.db2.gz VENLQOYPAMVXRB-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN Cc1ccc(C=Nc2cccc(C(N)=O)c2)s1 ZINC000254793318 388366204 /nfs/dbraw/zinc/36/62/04/388366204.db2.gz NYAFKDFFKCJCGG-UHFFFAOYSA-N 0 0 244.319 2.906 10 30 BFEERN C[C@@H]1OCC[C@H]1Nc1c(Cl)cccc1C#N ZINC000270826702 388367962 /nfs/dbraw/zinc/36/79/62/388367962.db2.gz ZWJISPBKMSVPGW-GZMMTYOYSA-N 0 0 236.702 2.801 10 30 BFEERN CCC1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175239709 388447203 /nfs/dbraw/zinc/44/72/03/388447203.db2.gz LEORRKGMYBDYNU-UHFFFAOYSA-N 0 0 245.326 2.585 10 30 BFEERN CC[C@H]1C[C@H]1Nc1snc(Cl)c1C#N ZINC000301287494 388610401 /nfs/dbraw/zinc/61/04/01/388610401.db2.gz MGSPEHFZGGYOQZ-CAHLUQPWSA-N 0 0 227.720 2.879 10 30 BFEERN Cc1ccc(N(C)CCC(F)(F)F)nc1C#N ZINC000302673227 388624052 /nfs/dbraw/zinc/62/40/52/388624052.db2.gz SNBXGYNKWHOCCV-UHFFFAOYSA-N 0 0 243.232 2.650 10 30 BFEERN COc1ccc(C=Nc2c(C)nn(C)c2C)cc1 ZINC000254414639 388748544 /nfs/dbraw/zinc/74/85/44/388748544.db2.gz JQTMPACLLCKHDZ-UHFFFAOYSA-N 0 0 243.310 2.796 10 30 BFEERN C[C@H]1CC(CNc2ccc(C#N)nc2)C[C@H](C)O1 ZINC000281713717 388806644 /nfs/dbraw/zinc/80/66/44/388806644.db2.gz BRRDJKXIKJEWTJ-QWRGUYRKSA-N 0 0 245.326 2.569 10 30 BFEERN N#CCNc1cc(F)c(Br)c(F)c1 ZINC000575478249 388859559 /nfs/dbraw/zinc/85/95/59/388859559.db2.gz QSDNBYCCKDAEDI-UHFFFAOYSA-N 0 0 247.042 2.663 10 30 BFEERN Cc1cc(-c2ccccc2)c(C#N)c(N(C)C)n1 ZINC000039201759 177685253 /nfs/dbraw/zinc/68/52/53/177685253.db2.gz SWSRVPQHWAFUOP-UHFFFAOYSA-N 0 0 237.306 2.995 10 30 BFEERN C=CC(=O)c1cc(Cl)cc(F)c1F ZINC000575496293 388970061 /nfs/dbraw/zinc/97/00/61/388970061.db2.gz LMWLTLXQHBNCGN-UHFFFAOYSA-N 0 0 202.587 2.987 10 30 BFEERN C[C@H]1C(=O)C=CN2c3ccccc3CC[C@@H]12 ZINC000003950300 132315996 /nfs/dbraw/zinc/31/59/96/132315996.db2.gz FBWAJLPTZNQDAJ-PWSUYJOCSA-N 0 0 213.280 2.540 10 30 BFEERN CC[C@H](C#N)N1CCCc2ccccc21 ZINC000043556127 132353391 /nfs/dbraw/zinc/35/33/91/132353391.db2.gz XBEAKUHQIUJEPJ-GFCCVEGCSA-N 0 0 200.285 2.741 10 30 BFEERN O=C[C@@H]1CCCCN1c1ccnc2ccccc21 ZINC000054268068 132363750 /nfs/dbraw/zinc/36/37/50/132363750.db2.gz DXCDIECNBIMGHA-LBPRGKRZSA-N 0 0 240.306 2.793 10 30 BFEERN N#Cc1ccc(Cl)cc1N1CCCC[C@@H]1C=O ZINC000062786618 132388418 /nfs/dbraw/zinc/38/84/18/132388418.db2.gz HCWHYUDFYBAOEU-GFCCVEGCSA-N 0 0 248.713 2.769 10 30 BFEERN C[C@@H](C#N)CN1C[C@H](C)Cc2ccccc21 ZINC000071130189 132392104 /nfs/dbraw/zinc/39/21/04/132392104.db2.gz GUURQPXMFRRSOX-NEPJUHHUSA-N 0 0 214.312 2.845 10 30 BFEERN CC(C)c1csc([C@H]2CCCN(CC#N)C2)n1 ZINC000127672621 133471972 /nfs/dbraw/zinc/47/19/72/133471972.db2.gz NVIKQHWUIUNKBA-NSHDSACASA-N 0 0 249.383 2.969 10 30 BFEERN CC[C@H](C#N)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000162773935 133534434 /nfs/dbraw/zinc/53/44/34/133534434.db2.gz OULRLRIYKURFHP-JHJVBQTASA-N 0 0 234.343 2.621 10 30 BFEERN Cc1ccccc1[C@@H](C)Nc1cnc(C#N)cn1 ZINC000071177993 133643250 /nfs/dbraw/zinc/64/32/50/133643250.db2.gz IGYUWRMSASIZED-LLVKDONJSA-N 0 0 238.294 2.830 10 30 BFEERN CN(C(=O)N[C@@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000336033038 134058670 /nfs/dbraw/zinc/05/86/70/134058670.db2.gz ILASWFOQSMLZSL-DGCLKSJQSA-N 0 0 249.358 2.653 10 30 BFEERN CC1(C)CCN(C(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000336033055 134058832 /nfs/dbraw/zinc/05/88/32/134058832.db2.gz KMOMXALZQKMSJC-NWDGAFQWSA-N 0 0 249.358 2.510 10 30 BFEERN N#C[C@@]1(c2nc(C3CC3)no2)CC12CCCC2 ZINC000333877336 134140120 /nfs/dbraw/zinc/14/01/20/134140120.db2.gz VRAAGMODXOPBKV-CYBMUJFWSA-N 0 0 229.283 2.672 10 30 BFEERN N#C[C@@]1(c2nc(CC3CC3)no2)CC12CCCC2 ZINC000333892368 134140302 /nfs/dbraw/zinc/14/03/02/134140302.db2.gz ZAAYYEXNCYDVGL-CQSZACIVSA-N 0 0 243.310 2.748 10 30 BFEERN C[C@@]1(F)CCCN(CC2(C#N)CCC2)C1 ZINC000336267483 134141587 /nfs/dbraw/zinc/14/15/87/134141587.db2.gz RZCSYSMOKBILNO-LLVKDONJSA-N 0 0 210.296 2.504 10 30 BFEERN CC1(C)CCCN(CC2(C#N)CCC2)[C@@H]1C#N ZINC000336274855 134142012 /nfs/dbraw/zinc/14/20/12/134142012.db2.gz SIUMLZFSRDWPKA-GFCCVEGCSA-N 0 0 231.343 2.694 10 30 BFEERN C=CCCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000116045752 134216590 /nfs/dbraw/zinc/21/65/90/134216590.db2.gz WZWRLJLKZKAVOT-LLVKDONJSA-N 0 0 219.284 2.909 10 30 BFEERN C[C@H](C#N)N1CCC(Nc2ccccc2F)CC1 ZINC000182188507 134342391 /nfs/dbraw/zinc/34/23/91/134342391.db2.gz XOFBSPMVMYDWQQ-LLVKDONJSA-N 0 0 247.317 2.614 10 30 BFEERN Cc1cccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000061889340 134803813 /nfs/dbraw/zinc/80/38/13/134803813.db2.gz QLFSZDIFLRIMCL-YPMHNXCESA-N 0 0 243.310 2.809 10 30 BFEERN N=C(C(F)=C(NF)C(F)(F)F)C(F)(F)F ZINC000268333061 135159190 /nfs/dbraw/zinc/15/91/90/135159190.db2.gz NVIJZPWIYBXUOO-JSAOQESESA-N 0 0 242.069 2.576 10 30 BFEERN Cc1scc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1C ZINC000334234537 135398992 /nfs/dbraw/zinc/39/89/92/135398992.db2.gz ZVOKXGISVQCKHC-ZYHUDNBSSA-N 0 0 248.351 2.787 10 30 BFEERN Cc1cc(F)ccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000135351121 135569162 /nfs/dbraw/zinc/56/91/62/135569162.db2.gz NHAZSOISJFGHSB-GWCFXTLKSA-N 0 0 246.285 2.556 10 30 BFEERN C=C(C)C[C@@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000185472703 135685870 /nfs/dbraw/zinc/68/58/70/135685870.db2.gz KKQHPAVKYLTMSB-MNOVXSKESA-N 0 0 227.373 2.553 10 30 BFEERN N#CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000335335404 136055503 /nfs/dbraw/zinc/05/55/03/136055503.db2.gz XLXQEIFJSZOLLJ-GJZGRUSLSA-N 0 0 226.323 2.737 10 30 BFEERN N#CCc1ccc2c(c1)COc1ccccc1C2=O ZINC000196396788 397910409 /nfs/dbraw/zinc/91/04/09/397910409.db2.gz KHXXFEWTAIXITO-UHFFFAOYSA-N 0 0 249.269 2.876 10 30 BFEERN Cc1ccc(-c2csc(N)c2C#N)o1 ZINC000259719482 397994132 /nfs/dbraw/zinc/99/41/32/397994132.db2.gz NTDYACLANKVIFH-UHFFFAOYSA-N 0 0 204.254 2.770 10 30 BFEERN Cc1ccc(C)c2c(Cl)c(C#N)nnc12 ZINC000259810924 398007070 /nfs/dbraw/zinc/00/70/70/398007070.db2.gz JQPGXVQLXSZPGS-UHFFFAOYSA-N 0 0 217.659 2.772 10 30 BFEERN CCc1cc(OC)c(CC#N)c(OC(F)F)c1 ZINC000575656087 398052060 /nfs/dbraw/zinc/05/20/60/398052060.db2.gz FOKIHWUQCJAJFL-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1 ZINC000061889335 398107528 /nfs/dbraw/zinc/10/75/28/398107528.db2.gz MOUFCEAQDJCBAP-BXKDBHETSA-N 0 0 247.273 2.639 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1F ZINC000061889333 398107851 /nfs/dbraw/zinc/10/78/51/398107851.db2.gz UDJYISUGDXJZMV-GXSJLCMTSA-N 0 0 247.273 2.639 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1F ZINC000061889331 398108197 /nfs/dbraw/zinc/10/81/97/398108197.db2.gz UDJYISUGDXJZMV-MWLCHTKSSA-N 0 0 247.273 2.639 10 30 BFEERN CC(C)N[C@@H](C#N)c1ccc(OC(F)F)cc1 ZINC000036924656 167129661 /nfs/dbraw/zinc/12/96/61/167129661.db2.gz MGSHVUGTQVAHOE-NSHDSACASA-N 0 0 240.253 2.851 10 30 BFEERN CC(C)N[C@H](C#N)c1ccc(F)cc1F ZINC000034973820 167137421 /nfs/dbraw/zinc/13/74/21/167137421.db2.gz NWEGUWNCKWVCTP-LLVKDONJSA-N 0 0 210.227 2.527 10 30 BFEERN C#CC1(O)c2ccccc2CCc2ccccc21 ZINC000002487519 166113017 /nfs/dbraw/zinc/11/30/17/166113017.db2.gz HGVZMBTUWOKSDB-UHFFFAOYSA-N 0 0 234.298 2.654 10 30 BFEERN C#CCCC(=O)Nc1cccc(Cl)c1 ZINC000075421258 166117984 /nfs/dbraw/zinc/11/79/84/166117984.db2.gz SJNULYCTWJCBBP-UHFFFAOYSA-N 0 0 207.660 2.692 10 30 BFEERN C#CCN(C)c1nc2ccc(C)cc2s1 ZINC000045237052 166161247 /nfs/dbraw/zinc/16/12/47/166161247.db2.gz LQJGDIAATQOENA-UHFFFAOYSA-N 0 0 216.309 2.674 10 30 BFEERN C#C[C@@H](O)C(c1ccccc1)c1ccccc1 ZINC000034510879 166214123 /nfs/dbraw/zinc/21/41/23/166214123.db2.gz QYGJQFYEYVJOJN-OAHLLOKOSA-N 0 0 222.287 2.813 10 30 BFEERN CC(=CC(=O)C(F)(F)F)Nc1ccccc1N ZINC000043463506 166231356 /nfs/dbraw/zinc/23/13/56/166231356.db2.gz CLPIQVNDTPVOHG-SREVYHEPSA-N 0 0 244.216 2.716 10 30 BFEERN C=CCN(C(=O)c1cccc(N)c1)C1CCCC1 ZINC000037817637 166312512 /nfs/dbraw/zinc/31/25/12/166312512.db2.gz GVPXGJMDQUYNDP-UHFFFAOYSA-N 0 0 244.338 2.840 10 30 BFEERN C=CCN(CC=C)c1nc2c(cc1C#N)CCC2 ZINC000042245641 166339618 /nfs/dbraw/zinc/33/96/18/166339618.db2.gz RXFDCYKLLXBVIG-UHFFFAOYSA-N 0 0 239.322 2.620 10 30 BFEERN C=CCN[C@]1(C#N)CCCc2cc(OC)ccc21 ZINC000051960161 166408189 /nfs/dbraw/zinc/40/81/89/166408189.db2.gz UFLZDABDNXVIPS-HNNXBMFYSA-N 0 0 242.322 2.526 10 30 BFEERN CC(C)CCOCC(=O)Nc1ccc(C#N)cc1 ZINC000019847292 166872394 /nfs/dbraw/zinc/87/23/94/166872394.db2.gz QWMPHCNIGBYIRA-UHFFFAOYSA-N 0 0 246.310 2.559 10 30 BFEERN CC(C)Oc1cc(C#N)c2ccccc2n1 ZINC000068796529 167284107 /nfs/dbraw/zinc/28/41/07/167284107.db2.gz HMLSROFICROWOJ-UHFFFAOYSA-N 0 0 212.252 2.894 10 30 BFEERN CC(C)Oc1cccc([C@H](C#N)NC2CC2)c1 ZINC000020176772 167307614 /nfs/dbraw/zinc/30/76/14/167307614.db2.gz SDWFXXMTKYGBEG-AWEZNQCLSA-N 0 0 230.311 2.790 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)N[C@H](C)Cc1ccccc1 ZINC000062189325 167340424 /nfs/dbraw/zinc/34/04/24/167340424.db2.gz XJYUQQGZCHQLCW-TZMCWYRMSA-N 0 0 244.338 2.530 10 30 BFEERN CC(C)[C@@H](C)N(C)C(=O)[C@H](C#N)c1ccccc1 ZINC000061614554 167366565 /nfs/dbraw/zinc/36/65/65/167366565.db2.gz PXXZMOTUFKATGG-TZMCWYRMSA-N 0 0 244.338 2.797 10 30 BFEERN CC(C)c1cc(OC2CC2)cnc1C#N ZINC000095736529 167578097 /nfs/dbraw/zinc/57/80/97/167578097.db2.gz MXKDITQKTUONIM-UHFFFAOYSA-N 0 0 202.257 2.618 10 30 BFEERN C=C(C[Si](C)(C)C)[C@](C)(C#N)OC(C)=O ZINC000584624744 411170533 /nfs/dbraw/zinc/17/05/33/411170533.db2.gz NUKOIZJLGFVHKA-NSHDSACASA-N 0 0 225.364 2.726 10 30 BFEERN CC/C(=N\O)c1ccc(OCCCC#N)cc1 ZINC000019489232 167820111 /nfs/dbraw/zinc/82/01/11/167820111.db2.gz OABDLQPAKCLGBQ-FYWRMAATSA-N 0 0 232.283 2.957 10 30 BFEERN Cc1ccc2c(c1)C(=O)C(C)=C(C)C2=O ZINC000005781983 168079809 /nfs/dbraw/zinc/07/98/09/168079809.db2.gz LWWOWQZGAGVVEU-UHFFFAOYSA-N 0 0 200.237 2.710 10 30 BFEERN CC1=C(OCC(C)C)[C@H](C)SC1=O ZINC000039090717 168088598 /nfs/dbraw/zinc/08/85/98/168088598.db2.gz NAAGPNWGTSCJIC-QMMMGPOBSA-N 0 0 200.303 2.595 10 30 BFEERN CCC(=O)[C@@H](C#N)c1cc(Cl)ccc1OC ZINC000036931327 168251348 /nfs/dbraw/zinc/25/13/48/168251348.db2.gz ZLINMCUSQOBXIQ-JTQLQIEISA-N 0 0 237.686 2.935 10 30 BFEERN CCC(C)(C)OCc1ccc(C#CCO)cc1 ZINC000049621569 168304089 /nfs/dbraw/zinc/30/40/89/168304089.db2.gz OKLFFWBVAWJHQG-UHFFFAOYSA-N 0 0 232.323 2.736 10 30 BFEERN CCN[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000020379005 170155684 /nfs/dbraw/zinc/15/56/84/170155684.db2.gz HBIWSGDFQHEGJL-SNVBAGLBSA-N 0 0 228.217 2.880 10 30 BFEERN CCN[C@H](C#N)c1c(F)cccc1Cl ZINC000020175202 170155936 /nfs/dbraw/zinc/15/59/36/170155936.db2.gz CJXXRHRQYBBDCT-SECBINFHSA-N 0 0 212.655 2.653 10 30 BFEERN CCN[C@H](C#N)c1ccc(Br)cc1 ZINC000020176209 170155978 /nfs/dbraw/zinc/15/59/78/170155978.db2.gz BHGLQIHISMXXGA-SNVBAGLBSA-N 0 0 239.116 2.623 10 30 BFEERN CCN[C@H](C#N)c1ccc(C(F)(F)F)cc1 ZINC000020379184 170156151 /nfs/dbraw/zinc/15/61/51/170156151.db2.gz JUEHNTDEVIDMGE-SNVBAGLBSA-N 0 0 228.217 2.880 10 30 BFEERN CCN[C@H](C#N)CCOc1cccc(CC)c1 ZINC000062443953 170156440 /nfs/dbraw/zinc/15/64/40/170156440.db2.gz KGJBPIRHIHXIDZ-ZDUSSCGKSA-N 0 0 232.327 2.520 10 30 BFEERN CCN[C@H](C#N)CCOc1cc(C)cc(C)c1 ZINC000062446407 170156514 /nfs/dbraw/zinc/15/65/14/170156514.db2.gz ZHVDJWOJADPTDG-ZDUSSCGKSA-N 0 0 232.327 2.574 10 30 BFEERN CCOC(=O)[C@H](C#N)Cc1ccccc1Cl ZINC000034164255 170263102 /nfs/dbraw/zinc/26/31/02/170263102.db2.gz LFXFELPOGZEOQP-JTQLQIEISA-N 0 0 237.686 2.585 10 30 BFEERN CCOC(=O)[C@](C)(C#N)Cc1ccc(CC)cc1 ZINC000057535084 170282623 /nfs/dbraw/zinc/28/26/23/170282623.db2.gz PTXROVNYWAXMIM-HNNXBMFYSA-N 0 0 245.322 2.884 10 30 BFEERN CCOC1=CC(=O)[C@@H](Cc2ccccc2)C1 ZINC000039100195 170320302 /nfs/dbraw/zinc/32/03/02/170320302.db2.gz VLORQHKCEYHCTC-LBPRGKRZSA-N 0 0 216.280 2.739 10 30 BFEERN CCOc1cc(OC)c(C#N)cc1CC ZINC000039099379 170528253 /nfs/dbraw/zinc/52/82/53/170528253.db2.gz MXAKSTUNBSTRSK-UHFFFAOYSA-N 0 0 205.257 2.528 10 30 BFEERN CCOc1ccccc1[C@@H]1CC(=O)C=CO1 ZINC000039100371 170598607 /nfs/dbraw/zinc/59/86/07/170598607.db2.gz UYKFLVXIMIJHKK-ZDUSSCGKSA-N 0 0 218.252 2.630 10 30 BFEERN CC[C@@H](C)N[C@H](C#N)c1ccc(N(C)C)cc1 ZINC000038064566 170756901 /nfs/dbraw/zinc/75/69/01/170756901.db2.gz MGKQVADKIFPLEZ-BXUZGUMPSA-N 0 0 231.343 2.705 10 30 BFEERN CC[C@@H](NC[C@H](C)C#N)c1ccccc1OC ZINC000054180944 170899203 /nfs/dbraw/zinc/89/92/03/170899203.db2.gz MWNKYYRIDXVDET-DGCLKSJQSA-N 0 0 232.327 2.896 10 30 BFEERN CC[C@@H]1CCN(c2cc(C)nc(C)c2C#N)C1 ZINC000135369791 171014498 /nfs/dbraw/zinc/01/44/98/171014498.db2.gz JUTHGUQUHXWTFS-GFCCVEGCSA-N 0 0 229.327 2.806 10 30 BFEERN CC[C@@H]1CCc2nc(CC#N)sc2C1 ZINC000019477384 171060030 /nfs/dbraw/zinc/06/00/30/171060030.db2.gz YAKXIBIQIGFVFI-MRVPVSSYSA-N 0 0 206.314 2.724 10 30 BFEERN CC[C@@H]1C[C@@H]1Nc1snc(Cl)c1C#N ZINC000301287498 171124985 /nfs/dbraw/zinc/12/49/85/171124985.db2.gz MGSPEHFZGGYOQZ-VDTYLAMSSA-N 0 0 227.720 2.879 10 30 BFEERN CC[C@@](C)(CCO)Nc1cccc(F)c1C#N ZINC000230216240 171167635 /nfs/dbraw/zinc/16/76/35/171167635.db2.gz ZWJFCEGQUIACDI-ZDUSSCGKSA-N 0 0 236.290 2.660 10 30 BFEERN CC[C@H](C#N)Sc1c(F)cc(N)cc1F ZINC000043554070 171220694 /nfs/dbraw/zinc/22/06/94/171220694.db2.gz RKTDATCVWIYSJN-SSDOTTSWSA-N 0 0 228.267 2.941 10 30 BFEERN CC[C@H](C#N)Sc1nc2cc(N)ccc2o1 ZINC000043554065 171220819 /nfs/dbraw/zinc/22/08/19/171220819.db2.gz ICHMTPKKHOOVTH-MRVPVSSYSA-N 0 0 233.296 2.804 10 30 BFEERN CC[C@H](C#N)Sc1nc2ccc(N)cc2o1 ZINC000043554059 171221365 /nfs/dbraw/zinc/22/13/65/171221365.db2.gz RFPSPEAOROYTNY-MRVPVSSYSA-N 0 0 233.296 2.804 10 30 BFEERN CC[C@H](C)CN(C)c1ccc(N)cc1C#N ZINC000041020752 171275743 /nfs/dbraw/zinc/27/57/43/171275743.db2.gz WDPAQSHYTFYHRD-JTQLQIEISA-N 0 0 217.316 2.623 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1ccc(OC)cc1OC ZINC000038064637 171344867 /nfs/dbraw/zinc/34/48/67/171344867.db2.gz KNAHDJQXGXJXBX-GWCFXTLKSA-N 0 0 248.326 2.657 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1ccc(OC)c(OC)c1 ZINC000038064589 171345202 /nfs/dbraw/zinc/34/52/02/171345202.db2.gz VPNCUPORJKOAAN-JQWIXIFHSA-N 0 0 248.326 2.657 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1ccc2c(c1)CCO2 ZINC000038064505 171347047 /nfs/dbraw/zinc/34/70/47/171347047.db2.gz SALFTMWALMQCSB-GXFFZTMASA-N 0 0 230.311 2.574 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1cc(OC)cc(OC)c1 ZINC000038064421 171347061 /nfs/dbraw/zinc/34/70/61/171347061.db2.gz XUBPAPNKKYCWDD-IINYFYTJSA-N 0 0 248.326 2.657 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1ccc(N(C)C)cc1 ZINC000038064567 171347175 /nfs/dbraw/zinc/34/71/75/171347175.db2.gz MGKQVADKIFPLEZ-SMDDNHRTSA-N 0 0 231.343 2.705 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1ccc2c(c1)CCN2C ZINC000050287691 171347333 /nfs/dbraw/zinc/34/73/33/171347333.db2.gz IKBVXJRLAUZUJU-SMDDNHRTSA-N 0 0 243.354 2.632 10 30 BFEERN CC[C@H](C)OCCC(=O)Nc1ccc(C#N)cc1 ZINC000048264604 171355420 /nfs/dbraw/zinc/35/54/20/171355420.db2.gz WEDZALUUSISGIG-NSHDSACASA-N 0 0 246.310 2.702 10 30 BFEERN CC[C@H](SCC#N)C(=O)OCc1ccccc1 ZINC000098169421 171595134 /nfs/dbraw/zinc/59/51/34/171595134.db2.gz IYVJOZVPQMVHDI-LBPRGKRZSA-N 0 0 249.335 2.765 10 30 BFEERN CC[C@H]1C[C@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000227014153 171679560 /nfs/dbraw/zinc/67/95/60/171679560.db2.gz IAGLGPZCIXMQHJ-GXSJLCMTSA-N 0 0 231.255 2.677 10 30 BFEERN CCc1ccccc1Nc1c(C#N)c(C)nn1C ZINC000104319191 171889697 /nfs/dbraw/zinc/88/96/97/171889697.db2.gz IWXUHARGNBBZSO-UHFFFAOYSA-N 0 0 240.310 2.906 10 30 BFEERN CCc1nc2cccc([C@@H]3C[C@H]3C=O)c2o1 ZINC000039101829 172013807 /nfs/dbraw/zinc/01/38/07/172013807.db2.gz FSWXBZYQKSGJHJ-WCBMZHEXSA-N 0 0 215.252 2.693 10 30 BFEERN CCc1nc2ccccc2n1C[C@@H](C)C#N ZINC000057461021 172013852 /nfs/dbraw/zinc/01/38/52/172013852.db2.gz QXWVIAIUDLLYQP-JTQLQIEISA-N 0 0 213.284 2.758 10 30 BFEERN CN(C)/C=C\C(=O)c1cccc(C(F)(F)F)c1 ZINC000100255632 172350451 /nfs/dbraw/zinc/35/04/51/172350451.db2.gz WWXXUJAADIZIRL-SREVYHEPSA-N 0 0 243.228 2.963 10 30 BFEERN CN(C)/C=N\c1nc2ccccc2s1 ZINC000033917128 172351806 /nfs/dbraw/zinc/35/18/06/172351806.db2.gz DCWDATDHZDWTPZ-XFFZJAGNSA-N 0 0 205.286 2.518 10 30 BFEERN COCC(=O)[C@H](C#N)c1cccc2ccccc21 ZINC000072417147 174063208 /nfs/dbraw/zinc/06/32/08/174063208.db2.gz AGLBAEMTRZBVTD-CQSZACIVSA-N 0 0 239.274 2.662 10 30 BFEERN COCCCN[C@H](C#N)c1cccc(Cl)c1 ZINC000020173925 174250734 /nfs/dbraw/zinc/25/07/34/174250734.db2.gz IWCLMQMEMYIKSK-GFCCVEGCSA-N 0 0 238.718 2.531 10 30 BFEERN COCCN[C@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175373 174339239 /nfs/dbraw/zinc/33/92/39/174339239.db2.gz VGUVWCFAFMZORY-CQSZACIVSA-N 0 0 246.354 2.785 10 30 BFEERN COc1cc(OC)cc(OCCCCC#N)c1 ZINC000103462245 175010685 /nfs/dbraw/zinc/01/06/85/175010685.db2.gz GESLYEROMBACOA-UHFFFAOYSA-N 0 0 235.283 2.776 10 30 BFEERN COc1cc2c(C#N)c[nH]c2cc1Cl ZINC000082594114 175018378 /nfs/dbraw/zinc/01/83/78/175018378.db2.gz NDQPJDNKINEOCS-UHFFFAOYSA-N 0 0 206.632 2.702 10 30 BFEERN COc1ccc(-c2ccc(C#N)s2)cc1N ZINC000050266936 175032354 /nfs/dbraw/zinc/03/23/54/175032354.db2.gz YKJVBNHMVQCRON-UHFFFAOYSA-N 0 0 230.292 2.878 10 30 BFEERN COc1ccc(C)cc1C#Cc1cccc(N)c1 ZINC000055243797 175073120 /nfs/dbraw/zinc/07/31/20/175073120.db2.gz IHNDQYFPJGHSFF-UHFFFAOYSA-N 0 0 237.302 2.986 10 30 BFEERN COc1ccc(C)cc1CN[C@@H]1CCC[C@@H]1C#N ZINC000061891914 175075732 /nfs/dbraw/zinc/07/57/32/175075732.db2.gz HDEGVAILYTUFOH-TZMCWYRMSA-N 0 0 244.338 2.786 10 30 BFEERN COc1ccc(C)cc1N[C@H](C)CC#N ZINC000032010308 175078437 /nfs/dbraw/zinc/07/84/37/175078437.db2.gz FPPDPVOOTMCHRW-SNVBAGLBSA-N 0 0 204.273 2.718 10 30 BFEERN COc1ccc(C)cc1[C@@H](C#N)C(=O)CC1CC1 ZINC000049730685 175079088 /nfs/dbraw/zinc/07/90/88/175079088.db2.gz SCMKDKXFMPBQIP-CYBMUJFWSA-N 0 0 243.306 2.980 10 30 BFEERN COc1ccc(C2=CC(=O)CCC2)c(OC)c1 ZINC000077362737 175084391 /nfs/dbraw/zinc/08/43/91/175084391.db2.gz WJIPPMKCSRCTLO-UHFFFAOYSA-N 0 0 232.279 2.840 10 30 BFEERN COc1ccc(NC[C@@H](C)C#N)cc1Cl ZINC000032014891 175151978 /nfs/dbraw/zinc/15/19/78/175151978.db2.gz QONKIOFUQRBTLK-QMMMGPOBSA-N 0 0 224.691 2.920 10 30 BFEERN COc1ccc(N[C@@]2(C#N)CCCSC2)cc1 ZINC000061590348 175154945 /nfs/dbraw/zinc/15/49/45/175154945.db2.gz LVNAOBXPIOLOEC-CYBMUJFWSA-N 0 0 248.351 2.896 10 30 BFEERN COc1ccc2c(c1)[C@@](C#N)(CC#N)CCC2 ZINC000082293394 175215457 /nfs/dbraw/zinc/21/54/57/175215457.db2.gz YTRYSYKUADOBJQ-CQSZACIVSA-N 0 0 226.279 2.707 10 30 BFEERN COc1cccc(COc2ccc(C#N)cn2)c1 ZINC000019472220 175269620 /nfs/dbraw/zinc/26/96/20/175269620.db2.gz OKMZIYKIXMWKFT-UHFFFAOYSA-N 0 0 240.262 2.541 10 30 BFEERN COc1cccc([C@@H](C#N)NC2CCCC2)c1 ZINC000020173280 175285798 /nfs/dbraw/zinc/28/57/98/175285798.db2.gz NAMMHBXXQWWJCA-CQSZACIVSA-N 0 0 230.311 2.792 10 30 BFEERN COc1cccc([C@H](C#N)NCC(C)C)c1 ZINC000020173275 175291870 /nfs/dbraw/zinc/29/18/70/175291870.db2.gz HJPUJFSJNZGCKI-ZDUSSCGKSA-N 0 0 218.300 2.505 10 30 BFEERN COc1ccccc1C[C@](C)(C#N)N1CCCC1 ZINC000037735075 175334133 /nfs/dbraw/zinc/33/41/33/175334133.db2.gz PBGVIIONLTZQNI-OAHLLOKOSA-N 0 0 244.338 2.616 10 30 BFEERN COc1ccccc1N[C@H]1CCC[C@H]1C#N ZINC000054823066 175339054 /nfs/dbraw/zinc/33/90/54/175339054.db2.gz XQIBIWKWLBHDNF-QWRGUYRKSA-N 0 0 216.284 2.799 10 30 BFEERN COc1ccccc1Oc1cc(C#N)ccn1 ZINC000019503775 175342319 /nfs/dbraw/zinc/34/23/19/175342319.db2.gz AUKNVLDRJKPQCV-UHFFFAOYSA-N 0 0 226.235 2.754 10 30 BFEERN COc1ccccc1[C@H](C#N)NC1CCCC1 ZINC000019989672 175351054 /nfs/dbraw/zinc/35/10/54/175351054.db2.gz IFAGPBLPJJMIFG-ZDUSSCGKSA-N 0 0 230.311 2.792 10 30 BFEERN COc1ccccc1[C@H](C#N)N1CCCCC1 ZINC000019934289 175351212 /nfs/dbraw/zinc/35/12/12/175351212.db2.gz NDAHQYYVVBNVSF-ZDUSSCGKSA-N 0 0 230.311 2.746 10 30 BFEERN C[C@@H](C#N)C(=O)Nc1cccc(Cl)c1F ZINC000044814180 175594479 /nfs/dbraw/zinc/59/44/79/175594479.db2.gz ONRVDNLDOGXASE-LURJTMIESA-N 0 0 226.638 2.577 10 30 BFEERN C[C@@H](C#N)NCc1ccc(C(F)(F)F)cc1 ZINC000061626744 175598757 /nfs/dbraw/zinc/59/87/57/175598757.db2.gz DBBOZBUNLJNMLD-QMMMGPOBSA-N 0 0 228.217 2.707 10 30 BFEERN C[C@@H](Nc1ncc(N)cc1C#N)C1CCCCC1 ZINC000052334583 175937087 /nfs/dbraw/zinc/93/70/87/175937087.db2.gz QXGTXTUTKYSNAF-SNVBAGLBSA-N 0 0 244.342 2.916 10 30 BFEERN C[C@@H](c1ccc(N)cc1)N(CCC#N)C1CC1 ZINC000042531011 176014956 /nfs/dbraw/zinc/01/49/56/176014956.db2.gz ULKBCPJSQRCWTC-NSHDSACASA-N 0 0 229.327 2.708 10 30 BFEERN C[C@@H](c1cccc(N)c1)N(CCC#N)C1CC1 ZINC000042531013 176018121 /nfs/dbraw/zinc/01/81/21/176018121.db2.gz ZPDSEKYODSVMMF-NSHDSACASA-N 0 0 229.327 2.708 10 30 BFEERN C[C@@H]1CC=CC[C@H]1COc1cc(C#N)ccn1 ZINC000034958439 176061044 /nfs/dbraw/zinc/06/10/44/176061044.db2.gz NZHKUCGIHIJORL-YPMHNXCESA-N 0 0 228.295 2.934 10 30 BFEERN C[C@@H]1CC=CC[C@H]1COc1ncccc1C#N ZINC000034958435 176061333 /nfs/dbraw/zinc/06/13/33/176061333.db2.gz XROWHNJKWLBYAS-YPMHNXCESA-N 0 0 228.295 2.934 10 30 BFEERN C[C@@H]1CCCC[C@H]1Oc1ccc(/C(N)=N/O)cc1 ZINC000019866160 176090039 /nfs/dbraw/zinc/09/00/39/176090039.db2.gz YOYCXYUFWMNWRN-ZWNOBZJWSA-N 0 0 248.326 2.739 10 30 BFEERN C[C@@H]1CCC[C@@](CO)(Nc2ccc(C#N)cc2)C1 ZINC000053110497 176133414 /nfs/dbraw/zinc/13/34/14/176133414.db2.gz MTDFVAOEAJXXBE-IUODEOHRSA-N 0 0 244.338 2.911 10 30 BFEERN C[C@@H]1CCC[C@H](Oc2ccc(/C(N)=N/O)cc2)C1 ZINC000020516282 176145961 /nfs/dbraw/zinc/14/59/61/176145961.db2.gz ZHWCGSNRJUIDEC-MFKMUULPSA-N 0 0 248.326 2.739 10 30 BFEERN C[C@@H]1C[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000078835709 176406166 /nfs/dbraw/zinc/40/61/66/176406166.db2.gz HBRXHGKCQCRZTI-SVRRBLITSA-N 0 0 241.216 2.792 10 30 BFEERN C[C@@](C#N)(c1cccs1)N1CCCC1 ZINC000057494245 176507892 /nfs/dbraw/zinc/50/78/92/176507892.db2.gz RWOOAECPBZLNAA-LLVKDONJSA-N 0 0 206.314 2.583 10 30 BFEERN C[C@@]1(O)CC(=O)C=C(c2cccc(Cl)c2)C1 ZINC000040174918 176539934 /nfs/dbraw/zinc/53/99/34/176539934.db2.gz OLTSFTQWVIAGGQ-ZDUSSCGKSA-N 0 0 236.698 2.837 10 30 BFEERN C[C@H](O)c1cc(F)ccc1N(CCC#N)C1CC1 ZINC000042547619 177016765 /nfs/dbraw/zinc/01/67/65/177016765.db2.gz FSOLGAMONPBSFY-JTQLQIEISA-N 0 0 248.301 2.761 10 30 BFEERN C[C@H](O)c1ccc2ccccc2c1OCC#N ZINC000035628009 177017597 /nfs/dbraw/zinc/01/75/97/177017597.db2.gz GKYFLMHRNRJOPW-JTQLQIEISA-N 0 0 227.263 2.795 10 30 BFEERN C[C@H](Oc1ccc(C#N)cc1)C(=O)OC(C)(C)C ZINC000090813695 177022570 /nfs/dbraw/zinc/02/25/70/177022570.db2.gz SLTDWQQYIYFZLF-JTQLQIEISA-N 0 0 247.294 2.667 10 30 BFEERN C[C@H](S)CN1CSc2ccccc21 ZINC000039118891 177025222 /nfs/dbraw/zinc/02/52/22/177025222.db2.gz FURLAHNSRMKDTI-QMMMGPOBSA-N 0 0 211.355 2.875 10 30 BFEERN C[C@H](c1ccccc1)[C@@H](C#N)N1CCCC1 ZINC000041046494 177040437 /nfs/dbraw/zinc/04/04/37/177040437.db2.gz XEWMUCIOJKCBNV-TZMCWYRMSA-N 0 0 214.312 2.778 10 30 BFEERN C[C@H]1CCCC[C@H]1N(C)c1ncc(N)cc1C#N ZINC000042603333 177086620 /nfs/dbraw/zinc/08/66/20/177086620.db2.gz QVSFBLLKIAOPDH-GXFFZTMASA-N 0 0 244.342 2.550 10 30 BFEERN C[C@H]1CCCC[C@H]1Oc1ccc(/C(N)=N/O)cc1 ZINC000019866162 177090378 /nfs/dbraw/zinc/09/03/78/177090378.db2.gz YOYCXYUFWMNWRN-GXFFZTMASA-N 0 0 248.326 2.739 10 30 BFEERN C[C@@H]1C[C@@H](CNc2ccnc(C#N)c2)C[C@H](C)O1 ZINC000286145963 177363538 /nfs/dbraw/zinc/36/35/38/177363538.db2.gz AFPMZMZIUGRKOP-ZSBIGDGJSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@H]1CN(c2cccc(F)c2C#N)CCS1 ZINC000135471578 323393793 /nfs/dbraw/zinc/39/37/93/323393793.db2.gz FXMFWOBVWWTHBY-VIFPVBQESA-N 0 0 236.315 2.639 10 30 BFEERN C[C@H]1CCC[C@@H]1C(=O)N(C)c1cccc(C#N)c1 ZINC000230057088 324993975 /nfs/dbraw/zinc/99/39/75/324993975.db2.gz UWQOKKPYAKDJQO-FZMZJTMJSA-N 0 0 242.322 2.957 10 30 BFEERN CC(C)c1ccc([C@@H](C)NCC#N)cc1 ZINC000073619544 325207146 /nfs/dbraw/zinc/20/71/46/325207146.db2.gz YQQLGCAYOLSZDH-LLVKDONJSA-N 0 0 202.301 2.984 10 30 BFEERN CC(C)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)C#N ZINC000119952503 487994836 /nfs/dbraw/zinc/99/48/36/487994836.db2.gz WRLXCQBWSSEURD-TZMCWYRMSA-N 0 0 244.338 2.530 10 30 BFEERN Cc1ccc([C@@H](C)NCc2ccnc(C#N)c2)o1 ZINC000068753198 488129143 /nfs/dbraw/zinc/12/91/43/488129143.db2.gz GIFUCDAMRJWWRP-LLVKDONJSA-N 0 0 241.294 2.706 10 30 BFEERN C=C[C@H](C)NC(=S)NCc1ccccc1C ZINC000757133319 582509782 /nfs/dbraw/zinc/50/97/82/582509782.db2.gz HTSKVOMGDYRWNJ-NSHDSACASA-N 0 0 234.368 2.534 10 30 BFEERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H](S)C1 ZINC000757162898 582545586 /nfs/dbraw/zinc/54/55/86/582545586.db2.gz JKQUYICPJRPHQY-ZJUUUORDSA-N 0 0 245.388 3.000 10 30 BFEERN CC(C)(C)OC(=O)N[C@H]1CC[C@H](CC#N)C1 ZINC000144077394 518840603 /nfs/dbraw/zinc/84/06/03/518840603.db2.gz VTQYAEKCJLVFBU-ZJUUUORDSA-N 0 0 224.304 2.593 10 30 BFEERN C=CCC(CC=C)C(=O)N[C@@H](C)C(C)C ZINC000121848376 534567147 /nfs/dbraw/zinc/56/71/47/534567147.db2.gz VGCMWLASGWHSTK-NSHDSACASA-N 0 0 209.333 2.916 10 30 BFEERN CC(C)(C)CCC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000303251502 534577506 /nfs/dbraw/zinc/57/75/06/534577506.db2.gz MKDFWMBNQYXWED-GHMZBOCLSA-N 0 0 222.332 2.621 10 30 BFEERN COc1cc(C)cc(Br)c1CC=O ZINC000221449131 522231555 /nfs/dbraw/zinc/23/15/55/522231555.db2.gz LQMOFZFCQGYSNV-UHFFFAOYSA-N 0 0 243.100 2.508 10 30 BFEERN CN(C)/C=C\C(=O)c1ccc(C(F)(F)F)cc1 ZINC000106926255 523967960 /nfs/dbraw/zinc/96/79/60/523967960.db2.gz AHNAAWZIFOCBDY-FPLPWBNLSA-N 0 0 243.228 2.963 10 30 BFEERN CN(C)/C=C\C(=O)/C=C/C=C/c1ccccc1 ZINC000254876265 523968318 /nfs/dbraw/zinc/96/83/18/523968318.db2.gz UBLXAPPOEZMQTH-PJNJOVDHSA-N 0 0 227.307 2.900 10 30 BFEERN Cc1ccc(N=C2SCCN2C)c(C)c1 ZINC000254353629 524989399 /nfs/dbraw/zinc/98/93/99/524989399.db2.gz UCJRLIJPTYGKGZ-UHFFFAOYSA-N 0 0 220.341 2.970 10 30 BFEERN Cc1coc2c1C[C@@H]1O[C@]1(C)CC[C@@H]1O[C@]1(C)C2 ZINC000253387674 526291611 /nfs/dbraw/zinc/29/16/11/526291611.db2.gz FNQFNSGVMLMZNV-BYNSBNAKSA-N 0 0 248.322 2.782 10 30 endogenous,in-man BFEERN ON=CC(=NOc1ccccc1)c1ccccc1 ZINC000255004172 527643703 /nfs/dbraw/zinc/64/37/03/527643703.db2.gz RYGSLEUEOQKXQJ-UHFFFAOYSA-N 0 0 240.262 2.930 10 30 BFEERN CC[C@@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000231717355 535922214 /nfs/dbraw/zinc/92/22/14/535922214.db2.gz LIIZCLZQIVDVAQ-LDYMZIIASA-N 0 0 231.255 2.677 10 30 BFEERN CN(C(=O)N[C@H]1CCC[C@@H]1C#N)C1CCCCC1 ZINC000336033040 536053610 /nfs/dbraw/zinc/05/36/10/536053610.db2.gz ILASWFOQSMLZSL-YPMHNXCESA-N 0 0 249.358 2.653 10 30 BFEERN CCOc1ccc(-c2c[nH]c(N)c2C#N)cc1 ZINC000082540699 566409966 /nfs/dbraw/zinc/40/99/66/566409966.db2.gz RUOYOMNVACKCNW-UHFFFAOYSA-N 0 0 227.267 2.534 10 30 BFEERN C=C1CC[C@@H]2[C@](C)(O)CC[C@@H](C(C)C)[C@]2(O)C1 ZINC000033831970 574414106 /nfs/dbraw/zinc/41/41/06/574414106.db2.gz AHNGXHRYFGQWSL-GBJTYRQASA-N 0 0 238.371 2.891 10 30 endogenous,in-man BFEERN C=C[C@@H](C)NC(=S)NCc1cccc(C)c1 ZINC000757133059 582508913 /nfs/dbraw/zinc/50/89/13/582508913.db2.gz FTIKIAFYJKSOIR-LLVKDONJSA-N 0 0 234.368 2.534 10 30 BFEERN C=C[C@@H](C)NC(=S)NCc1ccc(C)cc1 ZINC000757133223 582509910 /nfs/dbraw/zinc/50/99/10/582509910.db2.gz HKTBMBDLYDILHN-LLVKDONJSA-N 0 0 234.368 2.534 10 30 BFEERN CC(=O)[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000111690966 582818254 /nfs/dbraw/zinc/81/82/54/582818254.db2.gz QZHKBNVUAXHMIX-NSHDSACASA-N 0 0 246.285 2.503 10 30 BFEERN CCOC(=O)C[C@]1([C@@H]2CO2)CC[C@@H](C)[C@H](C)C1 ZINC000675052552 583300696 /nfs/dbraw/zinc/30/06/96/583300696.db2.gz GIWJZXOWWKNWBU-NMKXLXIOSA-N 0 0 240.343 2.781 10 30 BFEERN Cc1cc(C)cc(C(=O)/C=C/N(C)C)c1 ZINC000148454790 583948645 /nfs/dbraw/zinc/94/86/45/583948645.db2.gz VGCBKULVXRGNQH-AATRIKPKSA-N 0 0 203.285 2.561 10 30 BFEERN CC(=O)C1=Cc2cc(Cl)cc(F)c2OC1 ZINC000675063393 584892834 /nfs/dbraw/zinc/89/28/34/584892834.db2.gz FCNXMCFRMFXIEE-UHFFFAOYSA-N 0 0 226.634 2.844 10 30 BFEERN CCCCc1c(Br)[nH]c(N)c1C#N ZINC000757170515 586430387 /nfs/dbraw/zinc/43/03/87/586430387.db2.gz JPEPQELLTOAXKF-UHFFFAOYSA-N 0 0 242.120 2.574 10 30 BFEERN Cc1nn(-c2ccccc2)c(C)c1CS ZINC000757162197 586431494 /nfs/dbraw/zinc/43/14/94/586431494.db2.gz CEQKUFGZXKYXNY-UHFFFAOYSA-N 0 0 218.325 2.919 10 30 BFEERN Oc1ccc(Br)c(CS)c1 ZINC000757162282 586432327 /nfs/dbraw/zinc/43/23/27/586432327.db2.gz FBAGLVHPXOIVLH-UHFFFAOYSA-N 0 0 219.103 2.585 10 30 BFEERN CC(C)(C)c1c(Br)[nH]c(N)c1C#N ZINC000757170428 586433030 /nfs/dbraw/zinc/43/30/30/586433030.db2.gz CRIRGMZFMHSINR-UHFFFAOYSA-N 0 0 242.120 2.529 10 30 BFEERN C#CCCOC(=O)[C@@]1(C)CCCc2ccccc21 ZINC000102123945 587806478 /nfs/dbraw/zinc/80/64/78/587806478.db2.gz IFWSUBCQMKDWFR-INIZCTEOSA-N 0 0 242.318 2.847 10 30 BFEERN C#CCCOC(=O)[C@]1(C)CCCc2ccccc21 ZINC000102123949 587806574 /nfs/dbraw/zinc/80/65/74/587806574.db2.gz IFWSUBCQMKDWFR-MRXNPFEDSA-N 0 0 242.318 2.847 10 30 BFEERN CC(C)Oc1ccc(C(C)(C)C=O)cc1 ZINC000106886508 588314213 /nfs/dbraw/zinc/31/42/13/588314213.db2.gz IKXSNOJLYFMCKO-UHFFFAOYSA-N 0 0 206.285 2.950 10 30 BFEERN O=C(/C=C\c1ccc[nH]1)/C=C\c1ccc[nH]1 ZINC000078921863 632033168 /nfs/dbraw/zinc/03/31/68/632033168.db2.gz BDKPSPXPELVDQC-SFECMWDFSA-N 0 0 212.252 2.639 10 30 BFEERN CCCCCCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000123669254 634252550 /nfs/dbraw/zinc/25/25/50/634252550.db2.gz KKWZOKFHCRRPMB-CHWSQXEVSA-N 0 0 249.354 2.908 10 30 BFEERN CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)s1 ZINC000061888291 641004863 /nfs/dbraw/zinc/00/48/63/641004863.db2.gz SKKPMVQUOZSINX-MWLCHTKSSA-N 0 0 248.351 2.733 10 30 BFEERN COc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1C ZINC000061892394 641005357 /nfs/dbraw/zinc/00/53/57/641005357.db2.gz UKCBSBPKLPIIHP-ZIAGYGMSSA-N 0 0 244.338 2.786 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1NCC(F)(F)C(F)F ZINC000230690778 641089620 /nfs/dbraw/zinc/08/96/20/641089620.db2.gz PFHNGVPMRWHJQJ-SFYZADRCSA-N 0 0 238.228 2.559 10 30 BFEERN O=C(/C=C\c1cccs1)C(F)(F)F ZINC000090623491 641169052 /nfs/dbraw/zinc/16/90/52/641169052.db2.gz PLFWJGKAWSDIQO-ARJAWSKDSA-N 0 0 206.188 2.893 10 30 BFEERN C=CCC(CC=C)C(=O)O[C@H](C)[C@H]1CCOC1 ZINC000151689163 641457590 /nfs/dbraw/zinc/45/75/90/641457590.db2.gz DKWGNKIYOZGBFF-YPMHNXCESA-N 0 0 238.327 2.723 10 30 BFEERN C=CCC[C@H](OC(=O)[C@H]1CC[C@H](C)O1)C1CC1 ZINC000159647104 641691664 /nfs/dbraw/zinc/69/16/64/641691664.db2.gz VPNHYHDXGIDBOZ-WCFLWFBJSA-N 0 0 238.327 2.842 10 30 BFEERN C#CCCCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000192085212 641959945 /nfs/dbraw/zinc/95/99/45/641959945.db2.gz UKDBHYPXTVXJKI-UHFFFAOYSA-N 0 0 245.366 2.731 10 30 BFEERN C=C[C@H](CC)OC(=O)Cc1cccc(F)c1 ZINC000181254861 642856263 /nfs/dbraw/zinc/85/62/63/642856263.db2.gz YGJCYHQMWPHOLB-GFCCVEGCSA-N 0 0 222.259 2.876 10 30 BFEERN C=CCNC(=S)N[C@@H](C)c1ccc(CC)cc1 ZINC000013931103 642879082 /nfs/dbraw/zinc/87/90/82/642879082.db2.gz IRQQEIHJQTXISU-NSHDSACASA-N 0 0 248.395 2.960 10 30 BFEERN C#CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[O-] ZINC000069767689 642901581 /nfs/dbraw/zinc/90/15/81/642901581.db2.gz UTXNPHAAMDPIHA-UHFFFAOYSA-N 0 0 244.121 2.812 10 30 BFEERN C[C@H]1C[C@H]1Nc1nc2ccccc2cc1C#N ZINC000083686410 644407352 /nfs/dbraw/zinc/40/73/52/644407352.db2.gz PCBGFZIBWQLRGA-TVQRCGJNSA-N 0 0 223.279 2.927 10 30 BFEERN CN(C)/C=C1\CCCC2(CCCC2)C1=O ZINC000096585976 644823467 /nfs/dbraw/zinc/82/34/67/644823467.db2.gz QREVDCGJEUFCQB-ZHACJKMWSA-N 0 0 207.317 2.745 10 30 BFEERN C#CC(=O)N[C@@H](C)c1ccc(C(C)C)cc1 ZINC000710285256 712250362 /nfs/dbraw/zinc/25/03/62/712250362.db2.gz LRBRDMCIMWMOAE-NSHDSACASA-N 0 0 215.296 2.620 10 30 BFEERN C/C=C(/CC)C(=O)OCC1(C#N)CCCC1 ZINC000588570199 959257274 /nfs/dbraw/zinc/25/72/74/959257274.db2.gz FZPJKUDPAJUBOI-JYOAFUTRSA-N 0 0 221.300 2.970 10 30 BFEERN CCCCCCCCCCN=NC1=NCCN1 ZINC000198751897 966894687 /nfs/dbraw/zinc/89/46/87/966894687.db2.gz UJSCTJLQXACQQA-MHWRWJLKSA-N 0 0 238.379 2.662 10 30 BFEERN C#CCC(C)(C)COC(=O)/C=C\c1ccco1 ZINC000588456562 958588373 /nfs/dbraw/zinc/58/83/73/958588373.db2.gz FPRKYJWSTAUAOY-FPLPWBNLSA-N 0 0 232.279 2.886 10 30 BFEERN CC/C=C(/C)C(=O)OCC(C)(C)CC#N ZINC000588467316 958642383 /nfs/dbraw/zinc/64/23/83/958642383.db2.gz HIRNJCKHFDXIPM-POHAHGRESA-N 0 0 209.289 2.826 10 30 BFEERN C=C[C@H](C)OC(=O)/C=C\c1cccs1 ZINC000588539606 959014665 /nfs/dbraw/zinc/01/46/65/959014665.db2.gz HJFUCHSXTFTQSB-NMTCXDENSA-N 0 0 208.282 2.879 10 30 BFEERN C=C[C@H](C)OC(=O)/C=C\c1ncccc1C ZINC000588539822 959022907 /nfs/dbraw/zinc/02/29/07/959022907.db2.gz UULWZIHHNAFJCV-TVRMLOFPSA-N 0 0 217.268 2.521 10 30 BFEERN C=C[C@](C)(CCOC)C(=O)OC/C=C\CC ZINC000588546228 959048226 /nfs/dbraw/zinc/04/82/26/959048226.db2.gz OQBODTRZOQLLGT-MEJMFZKBSA-N 0 0 226.316 2.725 10 30 BFEERN O=C1c2cc(F)ccc2C/C1=C\c1cocn1 ZINC000588579396 959336459 /nfs/dbraw/zinc/33/64/59/959336459.db2.gz SKGHXTVFGXFGFF-RUDMXATFSA-N 0 0 229.210 2.636 10 30 BFEERN O=C(/C=C\c1cocn1)c1cccc(F)c1F ZINC000588580083 959349786 /nfs/dbraw/zinc/34/97/86/959349786.db2.gz CDMLZNUIKRQTJM-PLNGDYQASA-N 0 0 235.189 2.849 10 30 BFEERN O=C(/C=C\c1cocn1)c1ccc2c(c1)CCO2 ZINC000588580706 959357953 /nfs/dbraw/zinc/35/79/53/959357953.db2.gz DNPHRLXGRQOXAD-IHWYPQMZSA-N 0 0 241.246 2.506 10 30 BFEERN C#CCCCC(=O)NC/C=C\c1ccccc1 ZINC000588590697 959498693 /nfs/dbraw/zinc/49/86/93/959498693.db2.gz PFHDOQFGVRQLKV-FLIBITNWSA-N 0 0 227.307 2.620 10 30 BFEERN C=C[C@H]([NH2+][C@H](C)CC1CCCCC1)C(=O)[O-] ZINC000694654766 976709010 /nfs/dbraw/zinc/70/90/10/976709010.db2.gz BTODPIMFWXWMSI-PWSUYJOCSA-N 0 0 225.332 2.574 10 30 BFEERN C=C(C)CC[NH2+]Cc1csc(C(=O)[O-])c1 ZINC000701776361 977038993 /nfs/dbraw/zinc/03/89/93/977038993.db2.gz GNODSOJUTWJGNM-UHFFFAOYSA-N 0 0 225.313 2.502 10 30 BFEERN C=C[C@@H](C(=O)[O-])[NH+]1CCC(C2CCCC2)CC1 ZINC000708862073 977446836 /nfs/dbraw/zinc/44/68/36/977446836.db2.gz FCOFNJVEXRBRBO-ZDUSSCGKSA-N 0 0 237.343 2.528 10 30 BFEERN CC(C)(C)OC(=O)C#C[C@H]1CC12CCC2 ZINC000685954094 538898798 /nfs/dbraw/zinc/89/87/98/538898798.db2.gz SBFBNTQNZGDGKC-JTQLQIEISA-N 0 0 206.285 2.522 10 30 BFEERN CSc1ccccc1NC(=O)CCS ZINC000232280681 398166455 /nfs/dbraw/zinc/16/64/55/398166455.db2.gz UEXOEEUVQQMMMC-UHFFFAOYSA-N 0 0 227.354 2.667 10 30 BFEERN Cc1cc(N(CCC#N)C2CC2)ccc1[N+](=O)[O-] ZINC000042549655 178102853 /nfs/dbraw/zinc/10/28/53/178102853.db2.gz FXAQBDCNCYWHIA-UHFFFAOYSA-N 0 0 245.282 2.786 10 30 BFEERN Cc1cc(N2CCC3(CCC3)C2)c(C#N)c(C)n1 ZINC000160822011 178113469 /nfs/dbraw/zinc/11/34/69/178113469.db2.gz UDDDUKCEGYPPDB-UHFFFAOYSA-N 0 0 241.338 2.951 10 30 BFEERN N#Cc1sc(OC2CCC2)nc1Cl ZINC000306485771 398203678 /nfs/dbraw/zinc/20/36/78/398203678.db2.gz RPSUEPUAQJOYBG-UHFFFAOYSA-N 0 0 214.677 2.599 10 30 BFEERN N#Cc1ccc(-c2cccs2)nc1F ZINC000606277639 538930104 /nfs/dbraw/zinc/93/01/04/538930104.db2.gz HLSUWBOLNWQJDR-UHFFFAOYSA-N 0 0 204.229 2.821 10 30 BFEERN C=CC[C@H](C(=O)N[C@H]1C[C@H]1C)c1ccccc1 ZINC000189063374 192029844 /nfs/dbraw/zinc/02/98/44/192029844.db2.gz SXWNSXBOHIFSOU-XBFCOCLRSA-N 0 0 229.323 2.871 10 30 BFEERN Cc1cc([C@H](C)N[C@H](C)C#N)c(C)s1 ZINC000043515490 178256116 /nfs/dbraw/zinc/25/61/16/178256116.db2.gz TXCYTWXWPBWOPB-APPZFPTMSA-N 0 0 208.330 2.928 10 30 BFEERN Fc1ccc(F)c(C[C@@H]2CO2)c1Br ZINC000403118950 349527957 /nfs/dbraw/zinc/52/79/57/349527957.db2.gz MXTLRPKLNYELQE-RXMQYKEDSA-N 0 0 249.054 2.669 10 30 BFEERN Fc1ccc(F)c(C[C@H]2CO2)c1Br ZINC000403118953 349528487 /nfs/dbraw/zinc/52/84/87/349528487.db2.gz MXTLRPKLNYELQE-YFKPBYRVSA-N 0 0 249.054 2.669 10 30 BFEERN Cc1cc([N+](=O)[O-])cc2c(Cl)c(C#N)cnc12 ZINC000095937931 178271740 /nfs/dbraw/zinc/27/17/40/178271740.db2.gz OPAVQHRMPKMRFQ-UHFFFAOYSA-N 0 0 247.641 2.977 10 30 BFEERN CCC[C@@]1(C(=O)OCC)O[C@@]1(C)CC1CC1 ZINC000229762779 538940889 /nfs/dbraw/zinc/94/08/89/538940889.db2.gz BRHKCLVKGVNOGO-STQMWFEESA-N 0 0 226.316 2.677 10 30 BFEERN CCOC(=O)[C@@]1(CC)O[C@]1(C)CC1CCC1 ZINC000229762685 538941538 /nfs/dbraw/zinc/94/15/38/538941538.db2.gz PBTUMSQJWAQGPZ-CHWSQXEVSA-N 0 0 226.316 2.677 10 30 BFEERN CCC(CC)N(C)c1ccc(N)cc1C#N ZINC000041020979 168369825 /nfs/dbraw/zinc/36/98/25/168369825.db2.gz AZXWMPJXQRHWLY-UHFFFAOYSA-N 0 0 217.316 2.765 10 30 BFEERN Cc1ccc(C=NNc2cccc([N+](=O)[O-])c2)o1 ZINC000005754205 178358018 /nfs/dbraw/zinc/35/80/18/178358018.db2.gz XHMZFRMHWXWVAF-MDWZMJQESA-N 0 0 245.238 2.942 10 30 BFEERN Cc1ccc(C#N)cc1NCc1cccn1C ZINC000050596358 178367778 /nfs/dbraw/zinc/36/77/78/178367778.db2.gz UAYWOUXHMPJASS-UHFFFAOYSA-N 0 0 225.295 2.817 10 30 BFEERN Cc1ccc(C#N)cc1NC[C@H]1CCC=CO1 ZINC000050430016 178367822 /nfs/dbraw/zinc/36/78/22/178367822.db2.gz ZCFFMLQAVLNEFS-CYBMUJFWSA-N 0 0 228.295 2.971 10 30 BFEERN Cc1ccc(C#N)c(N2CCCSCC2)c1 ZINC000051597926 178362863 /nfs/dbraw/zinc/36/28/63/178362863.db2.gz RDRNIMVNNKENOR-UHFFFAOYSA-N 0 0 232.352 2.810 10 30 BFEERN Cc1ccc(C#N)c(N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000051578996 178365697 /nfs/dbraw/zinc/36/56/97/178365697.db2.gz IMNDEXFLUIJITR-FZMZJTMJSA-N 0 0 230.311 2.846 10 30 BFEERN Cc1ccc(/C(N)=N/O)c(N(C)CC(C)(C)C)c1 ZINC000051579877 178351890 /nfs/dbraw/zinc/35/18/90/178351890.db2.gz CJLAVEHYYGHCGS-UHFFFAOYSA-N 0 0 249.358 2.572 10 30 BFEERN Cc1ccc(C(=O)N(CCC#N)C2CC2)cc1C ZINC000042359352 178382397 /nfs/dbraw/zinc/38/23/97/178382397.db2.gz UWMKBTPGKODHOM-UHFFFAOYSA-N 0 0 242.322 2.822 10 30 BFEERN C#CCC(=O)Cc1cccc(Br)c1 ZINC000051074337 346826091 /nfs/dbraw/zinc/82/60/91/346826091.db2.gz GODFVDFHECYJLF-UHFFFAOYSA-N 0 0 237.096 2.584 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@]12CCC[C@@H](C(C)C)C2 ZINC000231019631 538951951 /nfs/dbraw/zinc/95/19/51/538951951.db2.gz JOWIEFUXIFMCRE-USWWRNFRSA-N 0 0 246.734 2.710 10 30 BFEERN COC(=O)[C@]1(C)O[C@]12CCC[C@@H](C(C)C)C2 ZINC000231019589 538952074 /nfs/dbraw/zinc/95/20/74/538952074.db2.gz KFVIVVGRVNRAFI-WXHSDQCUSA-N 0 0 226.316 2.533 10 30 BFEERN CCOC(=O)N1CC[C@@H](c2cccc(C#N)c2)C1 ZINC000616612661 349576011 /nfs/dbraw/zinc/57/60/11/349576011.db2.gz GWSCXPGMEXLUBM-CYBMUJFWSA-N 0 0 244.294 2.504 10 30 BFEERN C[C@H](C#N)N1CCc2sc(Cl)cc2C1 ZINC000335381328 136234902 /nfs/dbraw/zinc/23/49/02/136234902.db2.gz QZCZIWTVALDEDZ-SSDOTTSWSA-N 0 0 226.732 2.672 10 30 BFEERN C=CC(=O)c1ccc(NC(=O)OC(C)(C)C)cn1 ZINC000405940084 538961781 /nfs/dbraw/zinc/96/17/81/538961781.db2.gz MIJDGXOJFUPJDY-UHFFFAOYSA-N 0 0 248.282 2.797 10 30 BFEERN C[C@@H]1CC[C@]2(CCC[C@H](C=O)O2)[C@H](C)C1 ZINC000306659955 361868241 /nfs/dbraw/zinc/86/82/41/361868241.db2.gz MDQVFHCULZMKBR-FDYHWXHSSA-N 0 0 210.317 2.949 10 30 BFEERN C[C@@H]1CC[C@]2(CCC[C@H](C=O)O2)[C@@H](C)C1 ZINC000306659958 361868744 /nfs/dbraw/zinc/86/87/44/361868744.db2.gz MDQVFHCULZMKBR-YVECIDJPSA-N 0 0 210.317 2.949 10 30 BFEERN Cc1ccc(CN[C@H]2CCCC[C@@H]2C#N)o1 ZINC000054829804 398283499 /nfs/dbraw/zinc/28/34/99/398283499.db2.gz WWLYLELORLOXRV-YPMHNXCESA-N 0 0 218.300 2.760 10 30 BFEERN C=C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000146843019 342772246 /nfs/dbraw/zinc/77/22/46/342772246.db2.gz PISDUWFBUCLVFZ-LBPRGKRZSA-N 0 0 232.283 2.745 10 30 BFEERN N#Cc1c[nH]c2cc(F)c(F)cc2c1=S ZINC000149113027 342793040 /nfs/dbraw/zinc/79/30/40/342793040.db2.gz PFNRMWBEFYNUNX-UHFFFAOYSA-N 0 0 222.219 2.673 10 30 BFEERN CC[C@](C)(O)C#CC(=O)c1ccc(SC)cc1 ZINC000138281009 342809950 /nfs/dbraw/zinc/80/99/50/342809950.db2.gz APVDCUQYNZRHOX-AWEZNQCLSA-N 0 0 248.347 2.756 10 30 BFEERN CCC(CC)Nc1ccc(C#N)cc1N ZINC000035674303 168393685 /nfs/dbraw/zinc/39/36/85/168393685.db2.gz ZCHPGMHTYVINLK-UHFFFAOYSA-N 0 0 203.289 2.741 10 30 BFEERN C[C@]1(C23CC4CC(CC(C4)C2)C3)O[C@@H]1C#N ZINC000380520182 538990147 /nfs/dbraw/zinc/99/01/47/538990147.db2.gz XBLPMISOCXOIBN-MGLPIDPDSA-N 0 0 217.312 2.884 10 30 BFEERN N#CCC(=O)C1CCC(C(F)(F)F)CC1 ZINC000127075441 342835851 /nfs/dbraw/zinc/83/58/51/342835851.db2.gz ODXMSJZNYXYHGQ-UHFFFAOYSA-N 0 0 219.206 2.838 10 30 BFEERN N#CCC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000127076361 342835867 /nfs/dbraw/zinc/83/58/67/342835867.db2.gz KGHOOICGHRTHME-YUMQZZPRSA-N 0 0 219.206 2.838 10 30 BFEERN N#CCC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000127075940 342835995 /nfs/dbraw/zinc/83/59/95/342835995.db2.gz KGHOOICGHRTHME-JGVFFNPUSA-N 0 0 219.206 2.838 10 30 BFEERN Cc1cc(C(F)(F)F)ccc1C[C@@H]1CO1 ZINC000226571484 342836631 /nfs/dbraw/zinc/83/66/31/342836631.db2.gz KNQRBDYDERXXNJ-SNVBAGLBSA-N 0 0 216.202 2.955 10 30 BFEERN O=C[C@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000090557926 398302700 /nfs/dbraw/zinc/30/27/00/398302700.db2.gz JNWWVPWEZUZEMV-QMMMGPOBSA-N 0 0 217.243 2.611 10 30 BFEERN C=CCNc1cccc(Br)c1C#N ZINC000164981818 342863105 /nfs/dbraw/zinc/86/31/05/342863105.db2.gz SNWBKNTWBNBKCJ-UHFFFAOYSA-N 0 0 237.100 2.919 10 30 BFEERN C=CCSCC(=O)c1cc(F)ccc1O ZINC000308788660 342871513 /nfs/dbraw/zinc/87/15/13/342871513.db2.gz HINDBOHFYZQXJJ-UHFFFAOYSA-N 0 0 226.272 2.633 10 30 BFEERN CCN[C@@H](C#N)c1ccc(C)c(Cl)c1 ZINC000233548845 342872244 /nfs/dbraw/zinc/87/22/44/342872244.db2.gz QQJSCEPIVGANRC-NSHDSACASA-N 0 0 208.692 2.823 10 30 BFEERN C/C=C\C(=O)c1cc(F)cc(F)c1OC ZINC000308840197 342873817 /nfs/dbraw/zinc/87/38/17/342873817.db2.gz YJLFNEBMXFNLSY-ARJAWSKDSA-N 0 0 212.195 2.732 10 30 BFEERN C=CCSCC(=O)c1ccc(OC)cc1 ZINC000308841340 342874294 /nfs/dbraw/zinc/87/42/94/342874294.db2.gz YXVBHYRPDSYZLF-UHFFFAOYSA-N 0 0 222.309 2.797 10 30 BFEERN CC(=O)ON=C1CCCc2c3ccccc3[nH]c21 ZINC000254579399 398319624 /nfs/dbraw/zinc/31/96/24/398319624.db2.gz UWMZPNMLGDABCJ-UHFFFAOYSA-N 0 0 242.278 2.771 10 30 BFEERN Cc1c(Cl)cccc1C(=O)[C@H](C)C#N ZINC000219702354 342893561 /nfs/dbraw/zinc/89/35/61/342893561.db2.gz UJKNZYMAGQRTMK-SSDOTTSWSA-N 0 0 207.660 2.991 10 30 BFEERN Cc1ccc(Br)c(NCC#N)c1 ZINC000134861272 342904734 /nfs/dbraw/zinc/90/47/34/342904734.db2.gz GUXISHFSWXEWJX-UHFFFAOYSA-N 0 0 225.089 2.693 10 30 BFEERN N#CCc1csc(-c2ccsc2)n1 ZINC000060143515 342910424 /nfs/dbraw/zinc/91/04/24/342910424.db2.gz CTUXBFYJSNBBLA-UHFFFAOYSA-N 0 0 206.295 2.938 10 30 BFEERN N#Cc1ccc(N)cc1-c1ccc(F)cc1 ZINC000047206495 342901575 /nfs/dbraw/zinc/90/15/75/342901575.db2.gz GKNJJFLWNUNWNQ-UHFFFAOYSA-N 0 0 212.227 2.947 10 30 BFEERN N#Cc1cc(OC(F)(F)F)ncc1C(F)F ZINC000309184719 342904488 /nfs/dbraw/zinc/90/44/88/342904488.db2.gz IDDADWHVVZLBDM-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1cccc(C#N)n1 ZINC000231663921 398326052 /nfs/dbraw/zinc/32/60/52/398326052.db2.gz ULBICRAQHLIDMJ-ONGXEEELSA-N 0 0 201.273 2.554 10 30 BFEERN CC(=O)c1ccc(-c2ccc(C#N)n2C)cc1 ZINC000058541140 398325078 /nfs/dbraw/zinc/32/50/78/398325078.db2.gz QDWNGGYWKLJWKO-UHFFFAOYSA-N 0 0 224.263 2.766 10 30 BFEERN C[C@@H](S)C(=O)N[C@@H](C)c1ccc(Cl)s1 ZINC000235286670 398336817 /nfs/dbraw/zinc/33/68/17/398336817.db2.gz GVRSHFPEZWRPFJ-NTSWFWBYSA-N 0 0 249.788 2.897 10 30 BFEERN CNc1c(C#N)cnc2cc(C)cc(C)c21 ZINC000050842569 398342417 /nfs/dbraw/zinc/34/24/17/398342417.db2.gz ODWYCAWCJHJKJT-UHFFFAOYSA-N 0 0 211.268 2.765 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)NCCC1=CCCC1 ZINC000329735897 136261334 /nfs/dbraw/zinc/26/13/34/136261334.db2.gz LDJDAMIXZODZRS-QWHCGFSZSA-N 0 0 247.342 2.683 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)NCCC1=CCCC1 ZINC000329735898 136261386 /nfs/dbraw/zinc/26/13/86/136261386.db2.gz LDJDAMIXZODZRS-STQMWFEESA-N 0 0 247.342 2.683 10 30 BFEERN O=C(Cc1ccsc1)C1=CCCCO1 ZINC000167734970 346916501 /nfs/dbraw/zinc/91/65/01/346916501.db2.gz BLAGHLPURBQPGE-UHFFFAOYSA-N 0 0 208.282 2.554 10 30 BFEERN CC(C)(C)OC(=O)CCc1cccc(C#N)c1 ZINC000118119298 343040364 /nfs/dbraw/zinc/04/03/64/343040364.db2.gz QCFHYXQMSWBZKW-UHFFFAOYSA-N 0 0 231.295 2.833 10 30 BFEERN C=CC(=O)c1cc(Br)cs1 ZINC000071519918 362006760 /nfs/dbraw/zinc/00/67/60/362006760.db2.gz XVGXOHNRPLFVSO-UHFFFAOYSA-N 0 0 217.087 2.879 10 30 BFEERN Fc1cc(Cl)ccc1NC1=NCCS1 ZINC000042592240 362012719 /nfs/dbraw/zinc/01/27/19/362012719.db2.gz RNJUYAAMRIZEGO-UHFFFAOYSA-N 0 0 230.695 2.803 10 30 BFEERN CC(C)CCC#C[C@H]1C[C@@H]1c1c[nH]cn1 ZINC000013795256 343104303 /nfs/dbraw/zinc/10/43/03/343104303.db2.gz OWZPODIBWTYIFN-RYUDHWBXSA-N 0 0 202.301 2.953 10 30 BFEERN C[C@@H](C#N)Sc1ccc(Cl)cc1N ZINC000043516556 343117490 /nfs/dbraw/zinc/11/74/90/343117490.db2.gz LPFIBYCDYDRZHL-LURJTMIESA-N 0 0 212.705 2.926 10 30 BFEERN O=C1C=C/C(=C/Sc2ccccn2)S1 ZINC000206203529 343122283 /nfs/dbraw/zinc/12/22/83/343122283.db2.gz HJMYCXRLPSLEIG-FPLPWBNLSA-N 0 0 221.306 2.845 10 30 BFEERN CC(C)c1cc(C(=O)NO)c(O)c(C(C)C)c1 ZINC000142967456 343114823 /nfs/dbraw/zinc/11/48/23/343114823.db2.gz IDKJIQHVZRJUIG-UHFFFAOYSA-N 0 0 237.299 2.758 10 30 BFEERN C[C@H](C#N)NCc1ccc(Br)s1 ZINC000043515117 343116438 /nfs/dbraw/zinc/11/64/38/343116438.db2.gz JCJLUVNAMXWXIC-ZCFIWIBFSA-N 0 0 245.145 2.512 10 30 BFEERN COC(=O)CCCCCCCCCC=O ZINC000014620357 343127240 /nfs/dbraw/zinc/12/72/40/343127240.db2.gz RHGDHBUHYHTCSH-UHFFFAOYSA-N 0 0 214.305 2.869 10 30 BFEERN CCCCOc1ccc(CN(O)C(C)=O)cc1 ZINC000029565392 343143857 /nfs/dbraw/zinc/14/38/57/343143857.db2.gz BCHXYFXDCYEGIJ-UHFFFAOYSA-N 0 0 237.299 2.603 10 30 BFEERN C/N=c1\scc(C)n1/N=C/C1CCCCC1 ZINC000005787489 187248712 /nfs/dbraw/zinc/24/87/12/187248712.db2.gz LDTFQRIVCZRDKF-PDHOTBSTSA-N 0 0 237.372 2.803 10 30 BFEERN C=CCc1c(C)ccc2c1ccc(=O)n2C ZINC000145549272 343195039 /nfs/dbraw/zinc/19/50/39/343195039.db2.gz MKCDJVNZNIVWTH-UHFFFAOYSA-N 0 0 213.280 2.575 10 30 BFEERN C=C(Cl)CNc1cccc(NC(C)=O)c1 ZINC000037488470 187251474 /nfs/dbraw/zinc/25/14/74/187251474.db2.gz BHUNEHJHCMIUAA-UHFFFAOYSA-N 0 0 224.691 2.809 10 30 BFEERN COC(=O)c1c(C)c(C#N)cc2ccccc21 ZINC000139125250 343277528 /nfs/dbraw/zinc/27/75/28/343277528.db2.gz INGWTDYCGWQQNX-UHFFFAOYSA-N 0 0 225.247 2.807 10 30 BFEERN COC(=O)c1ccccc1C(=O)C=C(C)C ZINC000309351734 343324306 /nfs/dbraw/zinc/32/43/06/343324306.db2.gz FDUXBXXOTFKDPB-UHFFFAOYSA-N 0 0 218.252 2.622 10 30 BFEERN N#Cc1cccc(COc2cc(F)ccc2N)c1 ZINC000022171673 187255275 /nfs/dbraw/zinc/25/52/75/187255275.db2.gz MPRJLIFZAGUPBU-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN C=C(Br)CN[C@H](C)c1ccco1 ZINC000037681359 187253311 /nfs/dbraw/zinc/25/33/11/187253311.db2.gz AGEPSYKNKGQERZ-MRVPVSSYSA-N 0 0 230.105 2.839 10 30 BFEERN C/C=C\C(=O)c1ccc(C(=O)OC)cc1C ZINC000309365174 343333090 /nfs/dbraw/zinc/33/30/90/343333090.db2.gz NZWIARFJZAUQBO-PLNGDYQASA-N 0 0 218.252 2.540 10 30 BFEERN N#CCc1cc(F)c(Br)cc1F ZINC000216823955 343375410 /nfs/dbraw/zinc/37/54/10/343375410.db2.gz AIJNPROUNUUHFX-UHFFFAOYSA-N 0 0 232.027 2.793 10 30 BFEERN CC(C)CN[C@@H](C#N)c1c(F)cccc1F ZINC000037939110 187260915 /nfs/dbraw/zinc/26/09/15/187260915.db2.gz AHIHDYAIUKBQPV-NSHDSACASA-N 0 0 224.254 2.775 10 30 BFEERN C=C(Br)COc1ccccc1 ZINC000082865094 362240501 /nfs/dbraw/zinc/24/05/01/362240501.db2.gz JUPXLSDUFWPRCH-UHFFFAOYSA-N 0 0 213.074 2.974 10 30 BFEERN CS(=O)(=O)OC1CCC2(CCCCC2)CC1 ZINC000147957417 488219312 /nfs/dbraw/zinc/21/93/12/488219312.db2.gz CXSUDFALAFPAAR-UHFFFAOYSA-N 0 0 246.372 2.856 10 30 BFEERN COc1cc(F)cc(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000312262869 136372482 /nfs/dbraw/zinc/37/24/82/136372482.db2.gz AOIPILSTFUBBFI-FZMZJTMJSA-N 0 0 248.301 2.616 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(F)cc1F ZINC000054829047 136373164 /nfs/dbraw/zinc/37/31/64/136373164.db2.gz YLWYBYZUJMHLGA-TVQRCGJNSA-N 0 0 236.265 2.747 10 30 BFEERN N#C[C@@H](NCC(F)(F)F)c1ccccc1F ZINC000037971134 187262035 /nfs/dbraw/zinc/26/20/35/187262035.db2.gz OPQQFSFIJGZOOB-SECBINFHSA-N 0 0 232.180 2.542 10 30 BFEERN N#C[C@@]1(NCC2CC2)CCSc2ccccc21 ZINC000037946870 187262065 /nfs/dbraw/zinc/26/20/65/187262065.db2.gz DRBZZIDWAQTGRV-AWEZNQCLSA-N 0 0 244.363 2.901 10 30 BFEERN SCCNc1nc2ccccc2s1 ZINC000045238074 343527226 /nfs/dbraw/zinc/52/72/26/343527226.db2.gz GNHHIWUOARRLDB-UHFFFAOYSA-N 0 0 210.327 2.638 10 30 BFEERN CCc1occc1C(=O)C1=CCCCO1 ZINC000234164358 343533473 /nfs/dbraw/zinc/53/34/73/343533473.db2.gz KKQNNPJQIHXENY-UHFFFAOYSA-N 0 0 206.241 2.719 10 30 BFEERN CC1(C)Cc2ncc(C#N)c(C(F)(F)F)c21 ZINC000083235841 187267180 /nfs/dbraw/zinc/26/71/80/187267180.db2.gz QKTDQXJBOGQQEZ-UHFFFAOYSA-N 0 0 226.201 2.806 10 30 BFEERN Cc1ccc(/N=C/c2ccncc2N)cc1 ZINC000309047516 346958133 /nfs/dbraw/zinc/95/81/33/346958133.db2.gz OSZLHUCYLRWELO-LZYBPNLTSA-N 0 0 211.268 2.723 10 30 BFEERN O=[N+]([O-])c1ccccc1C#CC(F)(F)F ZINC000207117990 343715584 /nfs/dbraw/zinc/71/55/84/343715584.db2.gz AUDFOMWZLPAHSC-UHFFFAOYSA-N 0 0 215.130 2.509 10 30 BFEERN COC(=O)[C@]1(C)O[C@@]12CCC[C@H](C(C)C)C2 ZINC000300236174 537814632 /nfs/dbraw/zinc/81/46/32/537814632.db2.gz KFVIVVGRVNRAFI-WCFLWFBJSA-N 0 0 226.316 2.533 10 30 BFEERN CC(C#N)(C#N)Cc1cccc(Cl)c1 ZINC000057492690 187273016 /nfs/dbraw/zinc/27/30/16/187273016.db2.gz NSSSRRXBYNERHN-UHFFFAOYSA-N 0 0 204.660 2.936 10 30 BFEERN CC(C#N)(C#N)Cc1ccccc1Cl ZINC000057492688 187273127 /nfs/dbraw/zinc/27/31/27/187273127.db2.gz FCIKMZGXTQQKSM-UHFFFAOYSA-N 0 0 204.660 2.936 10 30 BFEERN Cc1nc(C#Cc2cccc(Cl)c2)c[nH]1 ZINC000090493992 187274555 /nfs/dbraw/zinc/27/45/55/187274555.db2.gz HDJZQQWWDMNFJW-UHFFFAOYSA-N 0 0 216.671 2.771 10 30 BFEERN C=CCNc1cc(Br)c(F)cc1N ZINC000159040659 346983699 /nfs/dbraw/zinc/98/36/99/346983699.db2.gz BGDTWDYUUOXJQS-UHFFFAOYSA-N 0 0 245.095 2.768 10 30 BFEERN CC(C)Cn1cc(CC#N)c(C(F)(F)F)n1 ZINC000409436879 343841128 /nfs/dbraw/zinc/84/11/28/343841128.db2.gz BVUKZVJULXMWGF-UHFFFAOYSA-N 0 0 231.221 2.624 10 30 BFEERN Cc1[nH]nc(-c2ccsc2)c1CCC#N ZINC000409439458 343847299 /nfs/dbraw/zinc/84/72/99/343847299.db2.gz HYRJPJQNQZXSTR-UHFFFAOYSA-N 0 0 217.297 2.903 10 30 BFEERN N#CCCc1c(C(F)(F)F)n[nH]c1C1CC1 ZINC000409441715 343860525 /nfs/dbraw/zinc/86/05/25/343860525.db2.gz ZNYJBCKTBSHQLQ-UHFFFAOYSA-N 0 0 229.205 2.762 10 30 BFEERN N#CCn1nc(-c2cccs2)c2c1CCC2 ZINC000409441756 343861112 /nfs/dbraw/zinc/86/11/12/343861112.db2.gz ZYNDBEHMKZGEDJ-UHFFFAOYSA-N 0 0 229.308 2.624 10 30 BFEERN CC(C)n1nc(-c2cccnc2)cc1CC#N ZINC000409442826 343864491 /nfs/dbraw/zinc/86/44/91/343864491.db2.gz BIBVYFSTQDUFML-UHFFFAOYSA-N 0 0 226.283 2.592 10 30 BFEERN CC(C)c1cc(C(F)(F)F)nn1CC#N ZINC000409443343 343867225 /nfs/dbraw/zinc/86/72/25/343867225.db2.gz LLWXLPLXTJYJJF-UHFFFAOYSA-N 0 0 217.194 2.549 10 30 BFEERN Cc1ccc(Br)c(CC#N)c1F ZINC000075898782 187278616 /nfs/dbraw/zinc/27/86/16/187278616.db2.gz SZGFZZDLDBRNEF-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN C=CCOc1ccc2c(c1)OC(C)(C)C[C@H]2O ZINC000043460687 187354537 /nfs/dbraw/zinc/35/45/37/187354537.db2.gz RKHCXAPSMPLTRO-GFCCVEGCSA-N 0 0 234.295 2.846 10 30 BFEERN C=C(c1cc(F)ccc1N)C(F)(F)F ZINC000307511300 343939423 /nfs/dbraw/zinc/93/94/23/343939423.db2.gz LFICEOASNGETGJ-UHFFFAOYSA-N 0 0 205.154 2.983 10 30 BFEERN C#C[C@@H](C)Oc1ccc(C=O)cc1Cl ZINC000235267728 343946083 /nfs/dbraw/zinc/94/60/83/343946083.db2.gz AFGOOGLLUMIMEU-MRVPVSSYSA-N 0 0 208.644 2.553 10 30 BFEERN C=C(Br)CNc1c(N)cccc1F ZINC000307363538 343928779 /nfs/dbraw/zinc/92/87/79/343928779.db2.gz HRWJMKWJMHZLJL-UHFFFAOYSA-N 0 0 245.095 2.728 10 30 BFEERN C#C[C@H](NC)c1cccc(C)c1Br ZINC000234393181 343963623 /nfs/dbraw/zinc/96/36/23/343963623.db2.gz JYWBELXUTQLEHA-JTQLQIEISA-N 0 0 238.128 2.651 10 30 BFEERN C#C[C@@H](NC)c1cccc(C)c1Br ZINC000234449182 343967180 /nfs/dbraw/zinc/96/71/80/343967180.db2.gz JYWBELXUTQLEHA-SNVBAGLBSA-N 0 0 238.128 2.651 10 30 BFEERN CCSc1cc(Cl)ccc1/C(N)=N/O ZINC000062789741 347022775 /nfs/dbraw/zinc/02/27/75/347022775.db2.gz FTSCZQSPEILNGL-UHFFFAOYSA-N 0 0 230.720 2.547 10 30 BFEERN CC(=NC#N)N[C@@H]1CCCc2ccccc21 ZINC000080483345 344129754 /nfs/dbraw/zinc/12/97/54/344129754.db2.gz NWAHVJHNIQHERG-CYBMUJFWSA-N 0 0 213.284 2.553 10 30 BFEERN CN(O)C(=O)/C=C/c1ccc2ccccc2c1 ZINC000026247459 344132024 /nfs/dbraw/zinc/13/20/24/344132024.db2.gz CORKVTFWNIPMDF-VQHVLOKHSA-N 0 0 227.263 2.701 10 30 in-vivo BFEERN C#CC(C)(C)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000585143286 344177103 /nfs/dbraw/zinc/17/71/03/344177103.db2.gz URRQZIWKOVKDJR-UHFFFAOYSA-N 0 0 237.343 2.903 10 30 BFEERN C=CCCN(C)C(=O)OCc1ccccc1 ZINC000306481055 344208721 /nfs/dbraw/zinc/20/87/21/344208721.db2.gz CTSMLWZHDHTYRU-UHFFFAOYSA-N 0 0 219.284 2.831 10 30 BFEERN Cc1cnc(C#Cc2ccccc2)c(F)c1 ZINC000585145111 344179890 /nfs/dbraw/zinc/17/98/90/344179890.db2.gz YAETUPDDIKCGNK-UHFFFAOYSA-N 0 0 211.239 2.929 10 30 BFEERN C=C(C)C(=O)c1cc(N)cc(Br)c1 ZINC000135428964 344271621 /nfs/dbraw/zinc/27/16/21/344271621.db2.gz ONTCQYZZEQSUSF-UHFFFAOYSA-N 0 0 240.100 2.790 10 30 BFEERN C=C(Cl)CNc1nc(Cl)c(C#N)s1 ZINC000236021796 344283082 /nfs/dbraw/zinc/28/30/82/344283082.db2.gz QXRVOTONSNSBBO-UHFFFAOYSA-N 0 0 234.111 2.833 10 30 BFEERN N#CCCc1cc(Cl)cc2c1OCC2 ZINC000127372212 344243515 /nfs/dbraw/zinc/24/35/15/344243515.db2.gz LTHDAAVOJNKXAZ-UHFFFAOYSA-N 0 0 207.660 2.731 10 30 BFEERN N#Cc1cccc([C@H](C=O)c2ccccc2)c1 ZINC000098178454 187290414 /nfs/dbraw/zinc/29/04/14/187290414.db2.gz FKNCKBIVFQPWGL-OAHLLOKOSA-N 0 0 221.259 2.889 10 30 BFEERN C#CC[C@H]([NH2+]C)c1ccc(F)c(Cl)c1 ZINC000062792387 347048983 /nfs/dbraw/zinc/04/89/83/347048983.db2.gz VAITWVQBYYYWGX-NSHDSACASA-N 0 0 211.667 2.763 10 30 BFEERN Cc1nc(O[C@H](C)C(F)(F)F)ccc1C#N ZINC000380531324 344418644 /nfs/dbraw/zinc/41/86/44/344418644.db2.gz DMSGTMOZYRJARD-SSDOTTSWSA-N 0 0 230.189 2.591 10 30 BFEERN C=CC(=O)c1c[nH]c2cccc(OC)c21 ZINC000234902123 344466856 /nfs/dbraw/zinc/46/68/56/344466856.db2.gz HFCFVSPIPPJLMB-UHFFFAOYSA-N 0 0 201.225 2.545 10 30 BFEERN N#Cc1c(-c2cccnc2)n[nH]c1C1CCC1 ZINC000409441934 344467221 /nfs/dbraw/zinc/46/72/21/344467221.db2.gz VHPRPGAUOIVPRQ-UHFFFAOYSA-N 0 0 224.267 2.611 10 30 BFEERN COc1cccc(CN[C@H]2CCCC[C@H]2C#N)c1 ZINC000054825540 344471777 /nfs/dbraw/zinc/47/17/77/344471777.db2.gz TZCVBKLTTHLZNS-ZFWWWQNUSA-N 0 0 244.338 2.867 10 30 BFEERN COc1cccc(CN[C@@H]2CCCC[C@H]2C#N)c1 ZINC000054825539 344471826 /nfs/dbraw/zinc/47/18/26/344471826.db2.gz TZCVBKLTTHLZNS-DZGCQCFKSA-N 0 0 244.338 2.867 10 30 BFEERN CC(C)[C@H](C)N[C@@H](C#N)Cc1ccccc1 ZINC000381511555 344514715 /nfs/dbraw/zinc/51/47/15/344514715.db2.gz RDCBDMIPPWPVBR-GXTWGEPZSA-N 0 0 216.328 2.755 10 30 BFEERN CC(=O)N1CCCC[C@H]1c1cccc(C#N)c1 ZINC000616616478 344555230 /nfs/dbraw/zinc/55/52/30/344555230.db2.gz PUNITPSWSVBBKH-AWEZNQCLSA-N 0 0 228.295 2.632 10 30 BFEERN Cc1nc(C#N)cc(C2CCCCC2)n1 ZINC000259269680 344559439 /nfs/dbraw/zinc/55/94/39/344559439.db2.gz LQFPBMQZSUISKU-UHFFFAOYSA-N 0 0 201.273 2.704 10 30 BFEERN N#Cc1cnc(C(F)(F)F)cc1C(F)(F)F ZINC000396075964 344595876 /nfs/dbraw/zinc/59/58/76/344595876.db2.gz BBGYXJOVULQJGN-UHFFFAOYSA-N 0 0 240.106 2.991 10 30 BFEERN N#Cc1cc(C(F)(F)F)cc(C(F)(F)F)n1 ZINC000396081878 344597802 /nfs/dbraw/zinc/59/78/02/344597802.db2.gz DFAFCBBKQGDSPY-UHFFFAOYSA-N 0 0 240.106 2.991 10 30 BFEERN N#CCc1c(F)cc(F)cc1OC(F)F ZINC000396125782 344609866 /nfs/dbraw/zinc/60/98/66/344609866.db2.gz LBCNNOKIJNPXRT-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN CCC[C@H]1C[C@@](Br)(C#N)CCO1 ZINC000127719457 344621879 /nfs/dbraw/zinc/62/18/79/344621879.db2.gz HQZKSMBGJSRAAC-DTWKUNHWSA-N 0 0 232.121 2.623 10 30 BFEERN N#CCCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114202552 344684137 /nfs/dbraw/zinc/68/41/37/344684137.db2.gz MGVGGLBLWHQBQU-ZDUSSCGKSA-N 0 0 232.331 2.631 10 30 BFEERN N#CCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000050444918 344690740 /nfs/dbraw/zinc/69/07/40/344690740.db2.gz QRSFUXWTVZQWFT-UHFFFAOYSA-N 0 0 210.620 2.704 10 30 BFEERN C#CCNc1ccc(F)cc1Br ZINC000050521802 344706478 /nfs/dbraw/zinc/70/64/78/344706478.db2.gz SKOBKZIPFVPPOS-UHFFFAOYSA-N 0 0 228.064 2.633 10 30 BFEERN Cc1cc(F)ccc1C(=O)C[C@@H](C)C#N ZINC000050568865 344711940 /nfs/dbraw/zinc/71/19/40/344711940.db2.gz AWHGXCRAUYAEJX-MRVPVSSYSA-N 0 0 205.232 2.867 10 30 BFEERN C=C(Br)CN[C@@H](C)c1ccco1 ZINC000037681357 187293393 /nfs/dbraw/zinc/29/33/93/187293393.db2.gz AGEPSYKNKGQERZ-QMMMGPOBSA-N 0 0 230.105 2.839 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1ccncc1Cl ZINC000335183659 133530117 /nfs/dbraw/zinc/53/01/17/133530117.db2.gz DOFHXQFVCIPOLU-JOYOIKCWSA-N 0 0 235.718 2.517 10 30 BFEERN C=C(Cl)CN[C@H]1CCOc2ccccc21 ZINC000049856370 187293707 /nfs/dbraw/zinc/29/37/07/187293707.db2.gz CDJOXMIYPVFJDV-NSHDSACASA-N 0 0 223.703 2.852 10 30 BFEERN C[C@H]1CS[C@H](c2ccc(C#N)cc2)O1 ZINC000039105449 344847395 /nfs/dbraw/zinc/84/73/95/344847395.db2.gz VSFZZQZBZSRIHI-GZMMTYOYSA-N 0 0 205.282 2.709 10 30 BFEERN C#C[C@@H](C)OCc1ccc(Cl)nc1Cl ZINC000235253150 344861255 /nfs/dbraw/zinc/86/12/55/344861255.db2.gz MBFMWLKHBRKMQZ-SSDOTTSWSA-N 0 0 230.094 2.927 10 30 BFEERN COC(=O)c1cc(C#N)c(Cl)cc1Cl ZINC000307112125 344929668 /nfs/dbraw/zinc/92/96/68/344929668.db2.gz ORUJZEHEABWNEO-UHFFFAOYSA-N 0 0 230.050 2.652 10 30 BFEERN Cc1[nH]nc(Nc2ccc(C)cc2)c1C#N ZINC000013781025 178779280 /nfs/dbraw/zinc/77/92/80/178779280.db2.gz NPQDDEKBVWUUPA-UHFFFAOYSA-N 0 0 212.256 2.642 10 30 BFEERN C#CCn1c(N)c(C2CC2)nc1-c1ccccc1 ZINC000103501134 187298670 /nfs/dbraw/zinc/29/86/70/187298670.db2.gz HRJLTQUSSJSCAP-UHFFFAOYSA-N 0 0 237.306 2.643 10 30 BFEERN COC(=O)C#Cc1cc(Cl)ccc1Cl ZINC000070834909 537883473 /nfs/dbraw/zinc/88/34/73/537883473.db2.gz CFCCKJDUXUSXDW-UHFFFAOYSA-N 0 0 229.062 2.518 10 30 BFEERN N#Cc1ccc(Cl)c(OC(F)F)c1 ZINC000238524780 345069800 /nfs/dbraw/zinc/06/98/00/345069800.db2.gz RZMFNMRFVLZYBT-UHFFFAOYSA-N 0 0 203.575 2.813 10 30 BFEERN N#Cc1ccc(Br)c(OC(F)F)c1 ZINC000238524761 345069853 /nfs/dbraw/zinc/06/98/53/345069853.db2.gz BGYRJBXEIXRWIE-UHFFFAOYSA-N 0 0 248.026 2.922 10 30 BFEERN CCC1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181234243 168519840 /nfs/dbraw/zinc/51/98/40/168519840.db2.gz ZVXAVEFWTBJASO-UHFFFAOYSA-N 0 0 245.326 2.585 10 30 BFEERN N#C[C@@H]1CCC[C@H]1Nc1ncnc2sccc21 ZINC000408327480 345175284 /nfs/dbraw/zinc/17/52/84/345175284.db2.gz DNFGZSLWOSXECS-WCBMZHEXSA-N 0 0 244.323 2.795 10 30 BFEERN C[C@H]1CCC[C@](Br)(C#N)C1 ZINC000127608929 345203582 /nfs/dbraw/zinc/20/35/82/345203582.db2.gz RTHISMPAGWLZPM-JGVFFNPUSA-N 0 0 202.095 2.854 10 30 BFEERN C=CCCC(=O)c1ccc2c(c1)CCO2 ZINC000168416824 345317958 /nfs/dbraw/zinc/31/79/58/345317958.db2.gz DATQTVPHXATGCX-UHFFFAOYSA-N 0 0 202.253 2.770 10 30 BFEERN C=C(Cl)CN1CCO[C@H](c2ccc(C)o2)C1 ZINC000158697520 345365124 /nfs/dbraw/zinc/36/51/24/345365124.db2.gz GPRKYRWMABBLNB-LBPRGKRZSA-N 0 0 241.718 2.714 10 30 BFEERN CC#CCCN1C[C@H](C)O[C@@H](c2ccsc2)C1 ZINC000248392658 345368061 /nfs/dbraw/zinc/36/80/61/345368061.db2.gz KXUOUAKFZUAXGN-GXTWGEPZSA-N 0 0 249.379 2.923 10 30 BFEERN C=CCC(=O)c1ccc(F)c(F)c1F ZINC000128168935 345493546 /nfs/dbraw/zinc/49/35/46/345493546.db2.gz VVSVHHJHCDMSPS-UHFFFAOYSA-N 0 0 200.159 2.863 10 30 BFEERN N#Cc1cc(Cl)ncc1OC(F)(F)F ZINC000221481251 345563584 /nfs/dbraw/zinc/56/35/84/345563584.db2.gz AENVPPSHTWQCEJ-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#CCCNCc1nc(-c2ccccc2)cs1 ZINC000061680798 192088866 /nfs/dbraw/zinc/08/88/66/192088866.db2.gz SGBNAPWIPCXHQC-UHFFFAOYSA-N 0 0 243.335 2.813 10 30 BFEERN CC#CCC(=O)Cc1ccc(C)c(C)c1 ZINC000061681430 345823006 /nfs/dbraw/zinc/82/30/06/345823006.db2.gz FHNDGQCNBNWKEF-UHFFFAOYSA-N 0 0 200.281 2.828 10 30 BFEERN CC(C)(C)[S@@](=O)N=C1CCCCC1 ZINC000140577368 345812302 /nfs/dbraw/zinc/81/23/02/345812302.db2.gz DELUBRHLPUTXTN-ZDUSSCGKSA-N 0 0 201.335 2.854 10 30 BFEERN CC1(C)OC[C@@H](COCCCCCCC#N)O1 ZINC000034182480 345819030 /nfs/dbraw/zinc/81/90/30/345819030.db2.gz JRGKAVKTBDTOOJ-GFCCVEGCSA-N 0 0 241.331 2.629 10 30 BFEERN C=CCOC(C)(C)C(=O)c1ccccc1 ZINC000163680962 345772741 /nfs/dbraw/zinc/77/27/41/345772741.db2.gz OOGAAEFVKAGPJM-UHFFFAOYSA-N 0 0 204.269 2.851 10 30 BFEERN CCOC(=O)C=C(C)Nc1ccccc1F ZINC000257353088 345774199 /nfs/dbraw/zinc/77/41/99/345774199.db2.gz PHPVDMZLLKOYRG-UHFFFAOYSA-N 0 0 223.247 2.871 10 30 BFEERN C#C[C@H](C)Nc1cc(C)c(Br)cn1 ZINC000163946434 345781877 /nfs/dbraw/zinc/78/18/77/345781877.db2.gz NIEYMCWOCIWASC-QMMMGPOBSA-N 0 0 239.116 2.586 10 30 BFEERN CC[C@H](NC(C)=NC#N)c1ccccc1OC ZINC000136733723 345798893 /nfs/dbraw/zinc/79/88/93/345798893.db2.gz YXDXIDHZQIRJSQ-LBPRGKRZSA-N 0 0 231.299 2.635 10 30 BFEERN N#C[C@H](c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000141056983 345859416 /nfs/dbraw/zinc/85/94/16/345859416.db2.gz BNUKPQAARUAVDP-GFCCVEGCSA-N 0 0 239.234 2.645 10 30 BFEERN C=C[C@@H](O)CCCOCc1ccc(OC)cc1 ZINC000034586793 345834053 /nfs/dbraw/zinc/83/40/53/345834053.db2.gz MSIYIYMCVUMKMB-CYBMUJFWSA-N 0 0 236.311 2.539 10 30 BFEERN O=CCOc1ccccc1OCc1ccccc1 ZINC000164830331 345834750 /nfs/dbraw/zinc/83/47/50/345834750.db2.gz GSZKBAPJOMCQIF-UHFFFAOYSA-N 0 0 242.274 2.843 10 30 BFEERN CC1(C)OC[C@@H](CCC#CCC2CC2)O1 ZINC000143704859 345867026 /nfs/dbraw/zinc/86/70/26/345867026.db2.gz UEGZMFXMAZHBQR-GFCCVEGCSA-N 0 0 208.301 2.722 10 30 BFEERN C[C@@H]1C[C@@H](C(=O)NC2(C#N)CC2)CC(C)(C)C1 ZINC000181156685 345929417 /nfs/dbraw/zinc/92/94/17/345929417.db2.gz GJVIDTVKHOSYLM-GHMZBOCLSA-N 0 0 234.343 2.621 10 30 BFEERN C#CCCOc1nccc(C)c1Br ZINC000235793009 345904603 /nfs/dbraw/zinc/90/46/03/345904603.db2.gz YNUSSONMDNWUCR-UHFFFAOYSA-N 0 0 240.100 2.555 10 30 BFEERN CN(c1ccccc1)[C@H](C#N)C(C)(C)F ZINC000144737757 345924394 /nfs/dbraw/zinc/92/43/94/345924394.db2.gz CTRCIVNWWRRYGP-LLVKDONJSA-N 0 0 206.264 2.763 10 30 BFEERN C=CCCC[C@H](C)NC(=O)[C@@H](CCC)[NH+](C)C ZINC000182618104 345934465 /nfs/dbraw/zinc/93/44/65/345934465.db2.gz DJSKTTMEUZURLJ-QWHCGFSZSA-N 0 0 240.391 2.578 10 30 BFEERN C=CCCC[C@@H](C)NC(=O)[C@H](CCC)[NH+](C)C ZINC000182618126 345934917 /nfs/dbraw/zinc/93/49/17/345934917.db2.gz DJSKTTMEUZURLJ-OLZOCXBDSA-N 0 0 240.391 2.578 10 30 BFEERN C=CCCCc1ccc(C(=O)OC)cc1 ZINC000146676618 345982974 /nfs/dbraw/zinc/98/29/74/345982974.db2.gz NVJYGOLAOXYIJS-UHFFFAOYSA-N 0 0 204.269 2.982 10 30 BFEERN FC(F)(F)c1cccc(C[C@H]2CO2)c1 ZINC000148336424 346034969 /nfs/dbraw/zinc/03/49/69/346034969.db2.gz UHVIFMUYCZIOGE-VIFPVBQESA-N 0 0 202.175 2.647 10 30 BFEERN C/C(=N\O)c1ccc(OCC(C)C)cc1 ZINC000019809184 187314335 /nfs/dbraw/zinc/31/43/35/187314335.db2.gz AFKNQNGXAJEEOP-JLHYYAGUSA-N 0 0 207.273 2.920 10 30 BFEERN Cc1ccc2oc(C(=NN)NC(C)(C)C)cc2c1 ZINC000042894370 178985894 /nfs/dbraw/zinc/98/58/94/178985894.db2.gz PHQTZNXRHVKZLU-UHFFFAOYSA-N 0 0 245.326 2.750 10 30 BFEERN CC(C)(C)c1ccc([C@H](O)C[C@@H]2CO2)cc1 ZINC000147802890 537953354 /nfs/dbraw/zinc/95/33/54/537953354.db2.gz KGZBRTARSCGMCI-CHWSQXEVSA-N 0 0 220.312 2.806 10 30 BFEERN C#CC(C)(C)Oc1ccc(C(C)=O)cc1 ZINC000005379272 346201135 /nfs/dbraw/zinc/20/11/35/346201135.db2.gz GXDLOKCZPBUEDA-UHFFFAOYSA-N 0 0 202.253 2.680 10 30 BFEERN C=CC(=O)c1sccc1Br ZINC000167357267 346239256 /nfs/dbraw/zinc/23/92/56/346239256.db2.gz PXZVIDGABCWZHH-UHFFFAOYSA-N 0 0 217.087 2.879 10 30 BFEERN C#CC[C@H](O)c1cccc(Br)c1F ZINC000236509147 346245680 /nfs/dbraw/zinc/24/56/80/346245680.db2.gz BUEPZVHZPIEICQ-VIFPVBQESA-N 0 0 243.075 2.645 10 30 BFEERN N#C[C@H]1CCC[C@@H]1Nc1sccc1[N+](=O)[O-] ZINC000381573558 346375031 /nfs/dbraw/zinc/37/50/31/346375031.db2.gz YPTROXVYBBDDRD-SFYZADRCSA-N 0 0 237.284 2.760 10 30 BFEERN COC(=O)CC1([C@@H]2CO2)CCC(C)(C)CC1 ZINC000675054716 537975722 /nfs/dbraw/zinc/97/57/22/537975722.db2.gz WRXIJANTTHHVAR-JTQLQIEISA-N 0 0 226.316 2.535 10 30 BFEERN Cc1cccc(Nc2ncc(N)cc2C#N)c1C ZINC000037759008 179160916 /nfs/dbraw/zinc/16/09/16/179160916.db2.gz KVTZEVGFULOREQ-UHFFFAOYSA-N 0 0 238.294 2.896 10 30 BFEERN Cc1cccc([C@H](C)NC[C@@H](C)C#N)c1 ZINC000054181153 179195837 /nfs/dbraw/zinc/19/58/37/179195837.db2.gz FCQWEBLIMVHLGK-RYUDHWBXSA-N 0 0 202.301 2.805 10 30 BFEERN COc1ccc(F)cc1CN[C@H]1CCC[C@@H]1C#N ZINC000310843427 347311858 /nfs/dbraw/zinc/31/18/58/347311858.db2.gz LBSFPUISWIDHEF-MFKMUULPSA-N 0 0 248.301 2.616 10 30 BFEERN CCOP(=O)(OCC)[C@@H]1CCC(C)=CC1=O ZINC000196324084 347498111 /nfs/dbraw/zinc/49/81/11/347498111.db2.gz SGKQJAJAXMWPGY-LLVKDONJSA-N 0 0 246.243 2.930 10 30 BFEERN CC[C@](C)(C#N)C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000367704705 347581334 /nfs/dbraw/zinc/58/13/34/347581334.db2.gz FTVPSNDNEVQIEI-MBNYWOFBSA-N 0 0 234.343 2.717 10 30 BFEERN C[C@H](CC1CCC1)[NH2+][C@H]1CCC[C@H]1C#N ZINC000252911214 347702581 /nfs/dbraw/zinc/70/25/81/347702581.db2.gz GLKDEDYPRDMGFV-WXHSDQCUSA-N 0 0 206.333 2.847 10 30 BFEERN Cc1ccc(C#N)c(N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000591991546 347721426 /nfs/dbraw/zinc/72/14/26/347721426.db2.gz VJKOSKSHBZZDQN-CYZMBNFOSA-N 0 0 227.311 2.862 10 30 BFEERN CCCc1ccc2occ(C#N)c(=O)c2c1 ZINC000195995608 347748636 /nfs/dbraw/zinc/74/86/36/347748636.db2.gz UAQVSZRGIZWWLL-UHFFFAOYSA-N 0 0 213.236 2.617 10 30 BFEERN Cc1ccccc1NN=Cc1cccnc1 ZINC000003909728 179295754 /nfs/dbraw/zinc/29/57/54/179295754.db2.gz GDMKOCOXYTXOAP-XNTDXEJSSA-N 0 0 211.268 2.836 10 30 BFEERN C[C@H](C#N)C(=O)c1cc2c(s1)CCC2 ZINC000036935107 347963797 /nfs/dbraw/zinc/96/37/97/347963797.db2.gz UFRVKTVXCRWMFT-SSDOTTSWSA-N 0 0 205.282 2.579 10 30 BFEERN C[C@H](C#N)C(=O)c1cc(Cl)ccc1F ZINC000036935091 347963921 /nfs/dbraw/zinc/96/39/21/347963921.db2.gz FSGOYPDFCRHRPF-ZCFIWIBFSA-N 0 0 211.623 2.821 10 30 BFEERN CSc1ccc(NC[C@H](C)C#N)cc1 ZINC000036985028 347997548 /nfs/dbraw/zinc/99/75/48/347997548.db2.gz HXRXKHVXXXWZOX-SECBINFHSA-N 0 0 206.314 2.980 10 30 BFEERN CCCC(=O)O/N=C(\C)c1ccccc1 ZINC000202187758 347981345 /nfs/dbraw/zinc/98/13/45/347981345.db2.gz KJQMOWSYAHQLGC-JLHYYAGUSA-N 0 0 205.257 2.754 10 30 BFEERN C#CCSc1ccc(Br)cc1N ZINC000037205855 348197516 /nfs/dbraw/zinc/19/75/16/348197516.db2.gz XNVWIZPGKWUASJ-UHFFFAOYSA-N 0 0 242.141 2.757 10 30 BFEERN Cc1cccnc1CN[C@@H]1CCCC[C@H]1C#N ZINC000071340125 179384340 /nfs/dbraw/zinc/38/43/40/179384340.db2.gz JFFRDIMJPYHHJU-QWHCGFSZSA-N 0 0 229.327 2.562 10 30 BFEERN C=CCc1cccc(O[C@H](C)COC)c1 ZINC000669382619 538002342 /nfs/dbraw/zinc/00/23/42/538002342.db2.gz DKYRAZUUVSZVJY-LLVKDONJSA-N 0 0 206.285 2.829 10 30 BFEERN Cc1ccnc(N(CCC#N)c2ccccc2)n1 ZINC000061858709 179428821 /nfs/dbraw/zinc/42/88/21/179428821.db2.gz QASNRRJJROHMJM-UHFFFAOYSA-N 0 0 238.294 2.837 10 30 BFEERN Cc1ccsc1[C@H](C#N)NCC(C)C ZINC000041673375 179553238 /nfs/dbraw/zinc/55/32/38/179553238.db2.gz IISACYWCUPBCOV-JTQLQIEISA-N 0 0 208.330 2.867 10 30 BFEERN N#CCc1cccc(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000597148190 348664661 /nfs/dbraw/zinc/66/46/61/348664661.db2.gz SQNDRPYZMQWWJM-CABCVRRESA-N 0 0 242.322 2.732 10 30 BFEERN Cc1ccccc1C#Cc1cccc(N)c1 ZINC000037470999 348612940 /nfs/dbraw/zinc/61/29/40/348612940.db2.gz TYLOUTBKFHNPFQ-UHFFFAOYSA-N 0 0 207.276 2.977 10 30 BFEERN C=C(Cl)CNc1ccc2c(c1)OCO2 ZINC000037488417 348622351 /nfs/dbraw/zinc/62/23/51/348622351.db2.gz NOVKCSNXQUQDBK-UHFFFAOYSA-N 0 0 211.648 2.580 10 30 BFEERN N#Cc1cccc(N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000596977356 348638498 /nfs/dbraw/zinc/63/84/98/348638498.db2.gz KGFYKLQCUKDNSR-ZIAGYGMSSA-N 0 0 228.295 2.538 10 30 BFEERN Cc1cc(-c2ccc(C#N)c(F)n2)sn1 ZINC000669384911 538018353 /nfs/dbraw/zinc/01/83/53/538018353.db2.gz MXADMEZWHTVKEF-UHFFFAOYSA-N 0 0 219.244 2.524 10 30 BFEERN C[C@@H](C=O)Sc1nccc2ccccc21 ZINC000616573542 349071713 /nfs/dbraw/zinc/07/17/13/349071713.db2.gz SLCASJUQAUPYLR-VIFPVBQESA-N 0 0 217.293 2.914 10 30 BFEERN Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1C#N ZINC000599342408 349152924 /nfs/dbraw/zinc/15/29/24/349152924.db2.gz QBGYHOKZZMYBFY-ZFWWWQNUSA-N 0 0 226.323 2.851 10 30 BFEERN SCc1noc2c1Cc1ccccc1-2 ZINC000725252143 538031773 /nfs/dbraw/zinc/03/17/73/538031773.db2.gz FUUYBUDXVLZXSN-UHFFFAOYSA-N 0 0 203.266 2.676 10 30 BFEERN Fc1cccc(-c2cc(CS)no2)c1 ZINC000725252745 538034690 /nfs/dbraw/zinc/03/46/90/538034690.db2.gz OVHWWLUDPWTEEF-UHFFFAOYSA-N 0 0 209.245 2.911 10 30 BFEERN C=C[C@](C)(CC[C@H]1O[C@]1(C)CC)OC(C)=O ZINC000005924091 349223445 /nfs/dbraw/zinc/22/34/45/349223445.db2.gz ZQIIAKHOIHRGSM-JHJVBQTASA-N 0 0 226.316 2.842 10 30 BFEERN Cc1cccc(C#CC[C@@H](O)C(F)(F)F)c1 ZINC000616581086 349262034 /nfs/dbraw/zinc/26/20/34/349262034.db2.gz DDFANUWQWFOIJX-LLVKDONJSA-N 0 0 228.213 2.660 10 30 BFEERN O[C@H]1CCCC[C@@H]1C#CCc1ccccc1 ZINC000616581174 349262660 /nfs/dbraw/zinc/26/26/60/349262660.db2.gz JFHDVHYLUIPUCF-CABCVRRESA-N 0 0 214.308 2.784 10 30 BFEERN C#CCC[C@@H](O)c1sccc1Br ZINC000228013901 350005413 /nfs/dbraw/zinc/00/54/13/350005413.db2.gz RZHDYNPQYASJAN-MRVPVSSYSA-N 0 0 245.141 2.957 10 30 BFEERN CC#CCOc1ccc(C)cc1C(C)=O ZINC000051663850 350020743 /nfs/dbraw/zinc/02/07/43/350020743.db2.gz KURMKUULPPMJIJ-UHFFFAOYSA-N 0 0 202.253 2.600 10 30 BFEERN CN(C(=O)C(C)(C)C)c1ccc(C#N)cc1 ZINC000061955010 349412459 /nfs/dbraw/zinc/41/24/59/349412459.db2.gz FVADJRCBLDIDQT-UHFFFAOYSA-N 0 0 216.284 2.567 10 30 BFEERN Cc1oc(C)c(C(=O)NC2(C#N)CCCC2)c1C ZINC000105997886 350081277 /nfs/dbraw/zinc/08/12/77/350081277.db2.gz OMNNVIPBEWPOLR-UHFFFAOYSA-N 0 0 246.310 2.771 10 30 BFEERN C[C@](C#N)(CC1CC1)c1cnc(C(F)F)nc1 ZINC000217350484 350050467 /nfs/dbraw/zinc/05/04/67/350050467.db2.gz ASQUHVHDQLACLK-GFCCVEGCSA-N 0 0 237.253 2.996 10 30 BFEERN COc1cc(F)cc(CC#N)c1Br ZINC000217431847 350055223 /nfs/dbraw/zinc/05/52/23/350055223.db2.gz APRHOCAQDPNIMJ-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN C=C(C)C(=O)OCCN(CC)c1ccccc1 ZINC000039193083 350113055 /nfs/dbraw/zinc/11/30/55/350113055.db2.gz WTBIHKZYDZQMQA-UHFFFAOYSA-N 0 0 233.311 2.632 10 30 BFEERN C[C@H](O)CC[N@H+](CCCC#N)Cc1ccccc1 ZINC000039171371 350113137 /nfs/dbraw/zinc/11/31/37/350113137.db2.gz HWOLTPCHSZCOGI-AWEZNQCLSA-N 0 0 246.354 2.563 10 30 BFEERN CC(C)(C)c1ccc([N+](=O)[O-])c(CC#N)c1 ZINC000039437604 350116952 /nfs/dbraw/zinc/11/69/52/350116952.db2.gz NZXUNVPWHVSZAJ-UHFFFAOYSA-N 0 0 218.256 2.958 10 30 BFEERN Cc1nc([C@H](C)NC[C@@H](C)C#N)c(C)s1 ZINC000054179694 180049480 /nfs/dbraw/zinc/04/94/80/180049480.db2.gz ZCOWCOKQMXNMSW-YUMQZZPRSA-N 0 0 223.345 2.570 10 30 BFEERN CC(C)=CC(=O)[C@H]1COc2ccccc21 ZINC000128791720 350144936 /nfs/dbraw/zinc/14/49/36/350144936.db2.gz AMORLZQLILJNMV-NSHDSACASA-N 0 0 202.253 2.698 10 30 BFEERN Cc1nc2c(c(C)c1C#N)C(=O)c1ccccc1-2 ZINC000000481768 180069016 /nfs/dbraw/zinc/06/90/16/180069016.db2.gz YKAYIAYWNLXUOW-UHFFFAOYSA-N 0 0 234.258 2.782 10 30 BFEERN CCC[C@]1(C(=O)OCC)O[C@@]12CC[C@H](C)C2 ZINC000212073645 538065072 /nfs/dbraw/zinc/06/50/72/538065072.db2.gz HFWAORXFRMGJIA-CYZMBNFOSA-N 0 0 226.316 2.677 10 30 BFEERN CC(C)(C)OC(=O)N[C@H]1CCCCC[C@@H]1C=O ZINC000098096002 191061953 /nfs/dbraw/zinc/06/19/53/191061953.db2.gz MJXWXYLRAYWJGA-MNOVXSKESA-N 0 0 241.331 2.659 10 30 BFEERN Cc1ncc(CN[C@@H]2CCCC[C@H]2C#N)s1 ZINC000054826243 180155763 /nfs/dbraw/zinc/15/57/63/180155763.db2.gz PHOGDKHTOQQRJM-CMPLNLGQSA-N 0 0 235.356 2.624 10 30 BFEERN CCCCc1c(C)[nH]c2c(c1=O)[C@H](C)C(=O)N2 ZINC000100102853 191062137 /nfs/dbraw/zinc/06/21/37/191062137.db2.gz JBBSGHIYRHHJDB-OIBJUYFYSA-N 0 0 234.299 2.654 10 30 BFEERN C=CC[C@H](C)NC(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000117808086 350203822 /nfs/dbraw/zinc/20/38/22/350203822.db2.gz COOMKQFUEASWHS-MJVIPROJSA-N 0 0 245.322 2.632 10 30 BFEERN Cc1ccc([S@@](=O)/N=C/c2ccco2)cc1 ZINC000008550565 350231848 /nfs/dbraw/zinc/23/18/48/350231848.db2.gz FNQBEXQHAHRRNP-WQMJKPAKSA-N 0 0 233.292 2.730 10 30 BFEERN CCc1nc(CN[C@@H]2CCCC[C@@H]2C#N)cs1 ZINC000328158102 350376520 /nfs/dbraw/zinc/37/65/20/350376520.db2.gz UQMITVPHAQQASE-ZYHUDNBSSA-N 0 0 249.383 2.877 10 30 BFEERN Cc1nn(C)c(N[C@@H]2CCCC[C@@H]2C)c1C#N ZINC000104425001 180360467 /nfs/dbraw/zinc/36/04/67/180360467.db2.gz IEGNMFJTCHSWNT-JOYOIKCWSA-N 0 0 232.331 2.591 10 30 BFEERN Cc1nn(C)c(N[C@@H]2CCCC[C@H]2C)c1C#N ZINC000104425006 180360480 /nfs/dbraw/zinc/36/04/80/180360480.db2.gz IEGNMFJTCHSWNT-BXKDBHETSA-N 0 0 232.331 2.591 10 30 BFEERN CC[C@H](C#N)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000162774179 350424686 /nfs/dbraw/zinc/42/46/86/350424686.db2.gz OULRLRIYKURFHP-UPJWGTAASA-N 0 0 234.343 2.621 10 30 BFEERN Cc1nn(C)c(Oc2ccccc2F)c1C#N ZINC000104314977 180361787 /nfs/dbraw/zinc/36/17/87/180361787.db2.gz PEPRKKNXLZDNQH-UHFFFAOYSA-N 0 0 231.230 2.532 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@]12CC[C@H](CC)C2 ZINC000252582187 538094541 /nfs/dbraw/zinc/09/45/41/538094541.db2.gz UQNIVHONWBNLPY-DRZSPHRISA-N 0 0 226.316 2.677 10 30 BFEERN N#Cc1ccc(Nc2ccsc2Cl)nn1 ZINC000302467454 191119113 /nfs/dbraw/zinc/11/91/13/191119113.db2.gz BTNMKEATSANJBT-UHFFFAOYSA-N 0 0 236.687 2.807 10 30 BFEERN N#C[C@]1(NCc2ccccc2)CCC[C@@H]2C[C@@H]21 ZINC000306681541 350838174 /nfs/dbraw/zinc/83/81/74/350838174.db2.gz OFUJCFQKBUMARD-QLFBSQMISA-N 0 0 226.323 2.859 10 30 BFEERN COc1ccc(C2=CCCCC2=O)s1 ZINC000306707526 350854618 /nfs/dbraw/zinc/85/46/18/350854618.db2.gz MVWOBLNNYIGARU-UHFFFAOYSA-N 0 0 208.282 2.893 10 30 BFEERN O=C[C@@H]1CC[C@@]2(CCCC23CCCC3)O1 ZINC000306709018 350855835 /nfs/dbraw/zinc/85/58/35/350855835.db2.gz OQSAWDZICGDTIM-WCQYABFASA-N 0 0 208.301 2.847 10 30 BFEERN C=CCSc1nc(N)nc2ccsc21 ZINC000306675689 350827927 /nfs/dbraw/zinc/82/79/27/350827927.db2.gz UAFQJOFMVUCKQZ-UHFFFAOYSA-N 0 0 223.326 2.552 10 30 BFEERN CC1CCC(C=O)([C@H]2CCC[C@@H]2O)CC1 ZINC000306734115 350903562 /nfs/dbraw/zinc/90/35/62/350903562.db2.gz UGWRPOCYARLEOE-ZFQMDJOTSA-N 0 0 210.317 2.543 10 30 BFEERN C[C@H]1CCC[C@](C=O)(C2CCOCC2)C1 ZINC000306724171 350892775 /nfs/dbraw/zinc/89/27/75/350892775.db2.gz IGKJYAZREAZMAR-AAEUAGOBSA-N 0 0 210.317 2.808 10 30 BFEERN C[C@H]1CCC[C@@](C=O)(C2CCOCC2)C1 ZINC000306724173 350892934 /nfs/dbraw/zinc/89/29/34/350892934.db2.gz IGKJYAZREAZMAR-WCQYABFASA-N 0 0 210.317 2.808 10 30 BFEERN COc1ccsc1CN[C@@H]1CCC[C@H]1C#N ZINC000336691706 350991529 /nfs/dbraw/zinc/99/15/29/350991529.db2.gz KSPRRYQUWSOQPQ-VHSXEESVSA-N 0 0 236.340 2.539 10 30 BFEERN C[C@@H](C#N)[C@H](O)c1sccc1Cl ZINC000306775676 351016776 /nfs/dbraw/zinc/01/67/76/351016776.db2.gz XEEOCXBNBLLRMS-FSPLSTOPSA-N 0 0 201.678 2.595 10 30 BFEERN Cc1cc(C(=O)C2=COCC2)ccc1F ZINC000306782856 351028285 /nfs/dbraw/zinc/02/82/85/351028285.db2.gz QZFRXZIWGGDHOK-UHFFFAOYSA-N 0 0 206.216 2.621 10 30 BFEERN Brc1cc(N=NC2CCC2)ccn1 ZINC000306796183 351047461 /nfs/dbraw/zinc/04/74/61/351047461.db2.gz VUSLZYFJHLALNA-UHFFFAOYSA-N 0 0 240.104 2.796 10 30 BFEERN N#CCc1cnc(Cl)cc1C(F)(F)F ZINC000306809555 351062854 /nfs/dbraw/zinc/06/28/54/351062854.db2.gz AESKDBMCSWKNTH-UHFFFAOYSA-N 0 0 220.581 2.820 10 30 BFEERN CC(=O)N1CCCC[C@H](c2ccccc2C#N)C1 ZINC000616626827 351106826 /nfs/dbraw/zinc/10/68/26/351106826.db2.gz BOHKGMVHKNLRJH-AWEZNQCLSA-N 0 0 242.322 2.674 10 30 BFEERN C=CC[C@@H](C)Nc1cnc(Br)cn1 ZINC000306836408 351147406 /nfs/dbraw/zinc/14/74/06/351147406.db2.gz SYRYWZCPCUAJMS-SSDOTTSWSA-N 0 0 242.120 2.616 10 30 BFEERN C=C(C)[C@@H](O)c1cnc2ccsc2c1 ZINC000306883085 351287344 /nfs/dbraw/zinc/28/73/44/351287344.db2.gz OKYGXRZIOUNARV-LLVKDONJSA-N 0 0 205.282 2.906 10 30 BFEERN C=C(Br)CNc1ccccc1N ZINC000168182701 351335205 /nfs/dbraw/zinc/33/52/05/351335205.db2.gz AXJFQHQSZJKYCV-UHFFFAOYSA-N 0 0 227.105 2.589 10 30 BFEERN CC[C@H]1C[C@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000231776821 351328687 /nfs/dbraw/zinc/32/86/87/351328687.db2.gz ZSGMRIDPGFMXHK-VHSXEESVSA-N 0 0 231.255 2.677 10 30 BFEERN C=C[C@@H](O)Cc1ccc(F)cc1Cl ZINC000306881252 351279200 /nfs/dbraw/zinc/27/92/00/351279200.db2.gz LWSVCXFHDRTANX-SECBINFHSA-N 0 0 200.640 2.569 10 30 BFEERN N#Cc1c(Cl)ccc(N)c1C(F)(F)F ZINC000307023332 351427758 /nfs/dbraw/zinc/42/77/58/351427758.db2.gz FGZLIGFZRJJWGE-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN N#CCc1ccc(C(F)(F)F)c(Cl)n1 ZINC000307021441 351429450 /nfs/dbraw/zinc/42/94/50/351429450.db2.gz BJKBIVGRDLZWAR-UHFFFAOYSA-N 0 0 220.581 2.820 10 30 BFEERN C=C(C(=O)[C@H]1CCCCS1)C(F)(F)F ZINC000307058034 351454150 /nfs/dbraw/zinc/45/41/50/351454150.db2.gz FMGXIFISQGZJPD-SSDOTTSWSA-N 0 0 224.247 2.960 10 30 BFEERN C=C(C(=O)[C@@H]1CCCCS1)C(F)(F)F ZINC000307058039 351455099 /nfs/dbraw/zinc/45/50/99/351455099.db2.gz FMGXIFISQGZJPD-ZETCQYMHSA-N 0 0 224.247 2.960 10 30 BFEERN N#CCc1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000307074748 351464499 /nfs/dbraw/zinc/46/44/99/351464499.db2.gz BESUTBAEXYZPQN-UHFFFAOYSA-N 0 0 231.038 2.968 10 30 BFEERN Cc1cc(Br)cc(NCC#N)c1 ZINC000232067814 351614385 /nfs/dbraw/zinc/61/43/85/351614385.db2.gz RNZHDRAYTMWLPE-UHFFFAOYSA-N 0 0 225.089 2.693 10 30 BFEERN C=C(C)[C@H](O)c1ccc(N)cc1Br ZINC000307244220 351748835 /nfs/dbraw/zinc/74/88/35/351748835.db2.gz UIMZAPQDXRGTJT-JTQLQIEISA-N 0 0 242.116 2.641 10 30 BFEERN CC1(C)CC[C@@H](C[C@@]2(C=O)CCCS2)O1 ZINC000307256568 351791601 /nfs/dbraw/zinc/79/16/01/351791601.db2.gz CGFSRWYJMZMCTH-CMPLNLGQSA-N 0 0 228.357 2.799 10 30 BFEERN C=C(C)C(=O)c1ccncc1Br ZINC000307247856 351756976 /nfs/dbraw/zinc/75/69/76/351756976.db2.gz HAXNNAISRREEDT-UHFFFAOYSA-N 0 0 226.073 2.603 10 30 BFEERN N#Cc1cccc(Nc2ccc(N)cc2)c1 ZINC000020585522 187591101 /nfs/dbraw/zinc/59/11/01/187591101.db2.gz JAMRSNXFILVIJZ-UHFFFAOYSA-N 0 0 209.252 2.884 10 30 BFEERN CC(C)(C)[C@H](C#N)NCc1cccs1 ZINC000041051687 187630489 /nfs/dbraw/zinc/63/04/89/187630489.db2.gz GYZBXJAEUOFKQC-JTQLQIEISA-N 0 0 208.330 2.776 10 30 BFEERN C[C@H]1CC[C@](C=O)(Cc2cscn2)C1 ZINC000307374704 352472051 /nfs/dbraw/zinc/47/20/51/352472051.db2.gz YEAOXFGLCQNJEY-GXSJLCMTSA-N 0 0 209.314 2.691 10 30 BFEERN C[C@H](C=O)Cc1c(F)cccc1Cl ZINC000307383564 352510173 /nfs/dbraw/zinc/51/01/73/352510173.db2.gz DXHZOROXVUPRCP-ZETCQYMHSA-N 0 0 200.640 2.857 10 30 BFEERN C[C@@H]1CCCC[C@@]1(C=O)C[C@H]1CCOC1 ZINC000307466837 352616150 /nfs/dbraw/zinc/61/61/50/352616150.db2.gz OKBRYJFEXOIPMO-UPJWGTAASA-N 0 0 210.317 2.808 10 30 BFEERN N#Cc1sc(OCc2ccco2)nc1Cl ZINC000307550166 352647297 /nfs/dbraw/zinc/64/72/97/352647297.db2.gz XMLVAMOOCAEOOG-UHFFFAOYSA-N 0 0 240.671 2.840 10 30 BFEERN C#CCOc1nc2cc(C)ccc2s1 ZINC000045237195 352664757 /nfs/dbraw/zinc/66/47/57/352664757.db2.gz UXIRLZZZYUXXAU-UHFFFAOYSA-N 0 0 203.266 2.617 10 30 BFEERN N#Cc1cc(N)c(C(F)(F)F)c(Cl)c1 ZINC000307503789 352630427 /nfs/dbraw/zinc/63/04/27/352630427.db2.gz JXRWVODYEUCKDF-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN O=CCSc1cccc(Br)c1 ZINC000055308375 352709707 /nfs/dbraw/zinc/70/97/07/352709707.db2.gz OTIHOXNSQWRNJN-UHFFFAOYSA-N 0 0 231.114 2.740 10 30 BFEERN N#CCc1nccc(C(F)(F)F)c1Cl ZINC000307629798 352711588 /nfs/dbraw/zinc/71/15/88/352711588.db2.gz VWNAPKFQABXRSA-UHFFFAOYSA-N 0 0 220.581 2.820 10 30 BFEERN CC[C@@](C)(C#N)c1nc(C(C)C)ns1 ZINC000307641937 352734740 /nfs/dbraw/zinc/73/47/40/352734740.db2.gz KHQGVZXHXZPYCM-JTQLQIEISA-N 0 0 209.318 2.853 10 30 BFEERN CCCCCCCCCn1cc(N)nn1 ZINC000118186857 538105500 /nfs/dbraw/zinc/10/55/00/538105500.db2.gz BCONVJXWNYEQQY-UHFFFAOYSA-N 0 0 210.325 2.611 10 30 BFEERN C=CCNC(=O)CCCSc1ccccc1 ZINC000047871281 166364011 /nfs/dbraw/zinc/36/40/11/166364011.db2.gz UGJOLQVMFZEHFG-UHFFFAOYSA-N 0 0 235.352 2.861 10 30 BFEERN C=C(Cl)CNc1ccc(NC(C)=O)cc1 ZINC000037488405 187934948 /nfs/dbraw/zinc/93/49/48/187934948.db2.gz AKHXYOKDGLYYIE-UHFFFAOYSA-N 0 0 224.691 2.809 10 30 BFEERN CC(=O)N1CCCS/C1=N\c1ccccc1 ZINC000018037280 187935133 /nfs/dbraw/zinc/93/51/33/187935133.db2.gz WBTXDACVNVIZBS-SEYXRHQNSA-N 0 0 234.324 2.660 10 30 BFEERN SCCc1noc2cc(Cl)ccc21 ZINC000031888772 187937995 /nfs/dbraw/zinc/93/79/95/187937995.db2.gz PZDKSUSKYYKMSE-UHFFFAOYSA-N 0 0 213.689 2.954 10 30 BFEERN Cn1ncc(C#N)c1SCc1ccccc1 ZINC000082296313 188002988 /nfs/dbraw/zinc/00/29/88/188002988.db2.gz PKGKUGJLPGNQLS-UHFFFAOYSA-N 0 0 229.308 2.584 10 30 BFEERN CC(=O)CC[C@H]1C(C)=CC(=O)CC1(C)C ZINC000014587630 187997592 /nfs/dbraw/zinc/99/75/92/187997592.db2.gz GSTVTHMQXVKNQF-LBPRGKRZSA-N 0 0 208.301 2.917 10 30 BFEERN CN(c1cccc(Cl)c1C#N)C1CC1 ZINC000052908715 353131670 /nfs/dbraw/zinc/13/16/70/353131670.db2.gz BIAKHIHMIMPKAJ-UHFFFAOYSA-N 0 0 206.676 2.810 10 30 BFEERN C=CCn1c(C)[nH+]c(-c2ccc(C)cc2)c1N ZINC000103498448 188051719 /nfs/dbraw/zinc/05/17/19/188051719.db2.gz CSIOAHSIIHUBCD-UHFFFAOYSA-N 0 0 227.311 2.935 10 30 BFEERN C=CCn1c[nH+]c(C[C@H](C)c2ccccc2)c1N ZINC000103499278 188052075 /nfs/dbraw/zinc/05/20/75/188052075.db2.gz WVXDCNMDMFKCLP-LBPRGKRZSA-N 0 0 241.338 2.998 10 30 BFEERN CC[C@H](C)C[C@]1(CC)O[C@@]1(C)C(=O)OC ZINC000227199403 538111911 /nfs/dbraw/zinc/11/19/11/538111911.db2.gz DFZNKISIFZZVNX-DLOVCJGASA-N 0 0 214.305 2.533 10 30 BFEERN C#CCN1CC=C(c2ccccc2F)CC1 ZINC000127703518 353273813 /nfs/dbraw/zinc/27/38/13/353273813.db2.gz DGRZXRNOSSORMM-UHFFFAOYSA-N 0 0 215.271 2.548 10 30 BFEERN CC(=O)C#Cc1c(Cl)cccc1Cl ZINC000114043516 188234067 /nfs/dbraw/zinc/23/40/67/188234067.db2.gz NHIPTVZFGKBYLD-UHFFFAOYSA-N 0 0 213.063 2.934 10 30 BFEERN Cc1csc(N=NC(C)c2cccc(O)c2)n1 ZINC000004186669 188275413 /nfs/dbraw/zinc/27/54/13/188275413.db2.gz BBFRZEWKHAVALH-NTEUORMPSA-N 0 0 247.323 2.993 10 30 BFEERN COC(C)(C)C[C@](C)(C#N)NC1CCCC1 ZINC000037968361 188289275 /nfs/dbraw/zinc/28/92/75/188289275.db2.gz LSWPQIPWXPJHGG-CYBMUJFWSA-N 0 0 224.348 2.616 10 30 BFEERN N#Cc1cccc([C@@H](C#N)N2CCCCCC2)c1 ZINC000038086157 188291123 /nfs/dbraw/zinc/29/11/23/188291123.db2.gz BVRIUGMONAMWOF-OAHLLOKOSA-N 0 0 239.322 2.999 10 30 BFEERN C#Cc1cccnc1OCc1ccccc1 ZINC000079066790 188259532 /nfs/dbraw/zinc/25/95/32/188259532.db2.gz IWQYEDDKNRDHDF-UHFFFAOYSA-N 0 0 209.248 2.642 10 30 BFEERN CC(C)(C)c1cncc(OC2CC2)c1C#N ZINC000095734707 188320851 /nfs/dbraw/zinc/32/08/51/188320851.db2.gz RROUTUBEISRZLS-UHFFFAOYSA-N 0 0 216.284 2.792 10 30 BFEERN CC(C)(C)c1ccc(OCCC=O)cc1 ZINC000011569674 188339471 /nfs/dbraw/zinc/33/94/71/188339471.db2.gz MRSMMCJSGWMYOQ-UHFFFAOYSA-N 0 0 206.285 2.952 10 30 BFEERN C/C(=N/O)c1cc(C)ccc1OC[C@H]1CCOC1 ZINC000049688867 188326912 /nfs/dbraw/zinc/32/69/12/188326912.db2.gz YHOSHIUEVHMVMM-CMHHUMAZSA-N 0 0 249.310 2.609 10 30 BFEERN CC1(C)O[C@H]1CCC1=CC[C@@H](C=O)CC1 ZINC000005762681 188337106 /nfs/dbraw/zinc/33/71/06/188337106.db2.gz QDEJSRGRUBKYGP-NEPJUHHUSA-N 0 0 208.301 2.869 10 30 BFEERN Cc1nc(C#Cc2cncc(C)c2)cs1 ZINC000013487234 188342547 /nfs/dbraw/zinc/34/25/47/188342547.db2.gz FNYSJYOTGKRVBK-UHFFFAOYSA-N 0 0 214.293 2.555 10 30 BFEERN C#CCNC(=O)N[C@H]1CC[C@@H](C)c2ccccc21 ZINC000132841479 353388951 /nfs/dbraw/zinc/38/89/51/353388951.db2.gz QRAQZUHVCIZUHC-RISCZKNCSA-N 0 0 242.322 2.557 10 30 BFEERN CC(C)[C@@H]1CCc2nc(CC#N)sc2C1 ZINC000054556826 188355107 /nfs/dbraw/zinc/35/51/07/188355107.db2.gz CBIXMNPIQSSHEC-SECBINFHSA-N 0 0 220.341 2.970 10 30 BFEERN C[C@H]1CC(CNc2cccnc2C#N)C[C@H](C)O1 ZINC000290966601 188390597 /nfs/dbraw/zinc/39/05/97/188390597.db2.gz PHGLLQYMHKEYDC-QWRGUYRKSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@@H]1CC(CNc2cccc(C#N)n2)C[C@@H](C)O1 ZINC000281737263 188384351 /nfs/dbraw/zinc/38/43/51/188384351.db2.gz DDZHJEVFMXFAPU-GHMZBOCLSA-N 0 0 245.326 2.569 10 30 BFEERN N#Cc1ccc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000299889746 188397512 /nfs/dbraw/zinc/39/75/12/188397512.db2.gz OCMULDODVKWPBB-UHFFFAOYSA-N 0 0 217.011 2.773 10 30 BFEERN C#CCOc1nc2cc(Cl)ccc2s1 ZINC000045237152 188397692 /nfs/dbraw/zinc/39/76/92/188397692.db2.gz HRVTWWARVCPHQK-UHFFFAOYSA-N 0 0 223.684 2.962 10 30 BFEERN C=C[C@](C)(CC)C(=O)N[C@@H]1COc2ccccc21 ZINC000134993304 353524851 /nfs/dbraw/zinc/52/48/51/353524851.db2.gz WYPGMVHIWYTTGH-IUODEOHRSA-N 0 0 245.322 2.839 10 30 BFEERN Cc1ccc(C)c(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000061889066 353543619 /nfs/dbraw/zinc/54/36/19/353543619.db2.gz ZZGAWESCGLLUFH-JSGCOSHPSA-N 0 0 242.322 2.726 10 30 BFEERN C#CCC(=O)Cc1ccc(F)cc1Cl ZINC000062607281 353570819 /nfs/dbraw/zinc/57/08/19/353570819.db2.gz WIQYBRLXNZLMNW-UHFFFAOYSA-N 0 0 210.635 2.614 10 30 BFEERN C=CCCCCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000195388240 353758036 /nfs/dbraw/zinc/75/80/36/353758036.db2.gz GDICOBXYHDOBKH-STQMWFEESA-N 0 0 247.338 2.684 10 30 BFEERN Fc1ccccc1C[C@H]1COCC[C@H]1S ZINC000095077136 181014653 /nfs/dbraw/zinc/01/46/53/181014653.db2.gz BKIVIBJEVXQYQX-CMPLNLGQSA-N 0 0 226.316 2.703 10 30 BFEERN CN(CC1CCCCC1)C1=CC(=O)CC1 ZINC000160216319 353741568 /nfs/dbraw/zinc/74/15/68/353741568.db2.gz BYJKPRYUJHYVMQ-UHFFFAOYSA-N 0 0 207.317 2.745 10 30 BFEERN N#CC1(NCc2ccccc2)CCCC1 ZINC000020177807 181030476 /nfs/dbraw/zinc/03/04/76/181030476.db2.gz DPLAKZJRSWNMQV-UHFFFAOYSA-N 0 0 200.285 2.613 10 30 BFEERN N#CC(C#N)Cc1cccc(Br)c1 ZINC000040544932 181027658 /nfs/dbraw/zinc/02/76/58/181027658.db2.gz AKGYEQXOKCUPEH-UHFFFAOYSA-N 0 0 235.084 2.655 10 30 BFEERN N#CC12CCC(CC1)CN2Cc1ccccc1 ZINC000032628037 181031696 /nfs/dbraw/zinc/03/16/96/181031696.db2.gz UHQJVTVZMQQYNF-UHFFFAOYSA-N 0 0 226.323 2.955 10 30 BFEERN N#CC1(N2CCCCCC2)Cc2ccccc2C1 ZINC000038086295 181030071 /nfs/dbraw/zinc/03/00/71/181030071.db2.gz QXFVPTXWDQNMTM-UHFFFAOYSA-N 0 0 240.350 2.924 10 30 BFEERN N#CC1(c2cc(F)cc(F)c2)CCC(=O)CC1 ZINC000095642955 181030246 /nfs/dbraw/zinc/03/02/46/181030246.db2.gz KESRSOYFTOOXFJ-UHFFFAOYSA-N 0 0 235.233 2.869 10 30 BFEERN N#CCc1cc(-c2cccnc2)cs1 ZINC000047214469 181047468 /nfs/dbraw/zinc/04/74/68/181047468.db2.gz GFGBDKOSJDDCFP-UHFFFAOYSA-N 0 0 200.266 2.876 10 30 BFEERN N#CCNc1cc(C(F)(F)F)ccc1F ZINC000062656842 181043272 /nfs/dbraw/zinc/04/32/72/181043272.db2.gz HDSWJEKDMYWIOZ-UHFFFAOYSA-N 0 0 218.153 2.780 10 30 BFEERN C#C[C@@H](C)Oc1ncnc(Cl)c1C(C)C ZINC000232875364 353978945 /nfs/dbraw/zinc/97/89/45/353978945.db2.gz GTFJZBSIRFNPCS-MRVPVSSYSA-N 0 0 224.691 2.654 10 30 BFEERN N#CC[C@@H](O)Cc1ccc(Cl)cc1Cl ZINC000041252083 181044906 /nfs/dbraw/zinc/04/49/06/181044906.db2.gz ITYGMXAJMQCLRP-SECBINFHSA-N 0 0 230.094 2.810 10 30 BFEERN N#CC[C@H](O)Cc1ccc(Cl)cc1Cl ZINC000041252085 181045636 /nfs/dbraw/zinc/04/56/36/181045636.db2.gz ITYGMXAJMQCLRP-VIFPVBQESA-N 0 0 230.094 2.810 10 30 BFEERN N#C[C@@H](c1c(F)cccc1F)N1CCCC1 ZINC000037355605 181057325 /nfs/dbraw/zinc/05/73/25/181057325.db2.gz UCRDPMQKRFAXNI-NSHDSACASA-N 0 0 222.238 2.625 10 30 BFEERN N#C[C@H](Nc1nccs1)c1ccccc1 ZINC000075625441 181066906 /nfs/dbraw/zinc/06/69/06/181066906.db2.gz SJNZAGHDZCULPK-JTQLQIEISA-N 0 0 215.281 2.820 10 30 BFEERN N#C[C@H](NCc1ccccc1)c1cccc(O)c1 ZINC000037939426 181066267 /nfs/dbraw/zinc/06/62/67/181066267.db2.gz ODKJQKRDWHWHSQ-HNNXBMFYSA-N 0 0 238.290 2.747 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1ccsc1 ZINC000061891137 181059572 /nfs/dbraw/zinc/05/95/72/181059572.db2.gz LMRKSZNLDYZBMA-QWRGUYRKSA-N 0 0 206.314 2.530 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1ccccc1F ZINC000054824085 181060926 /nfs/dbraw/zinc/06/09/26/181060926.db2.gz OXAPNUKYHKKDKO-GXFFZTMASA-N 0 0 218.275 2.608 10 30 BFEERN N#Cc1c(Cl)nc2c(Cl)cccn12 ZINC000082695345 181074041 /nfs/dbraw/zinc/07/40/41/181074041.db2.gz YMWKCGACCKFGTB-UHFFFAOYSA-N 0 0 212.039 2.513 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1ccc(F)cc1 ZINC000054824035 181070091 /nfs/dbraw/zinc/07/00/91/181070091.db2.gz NWOZUASYHXJRFT-DGCLKSJQSA-N 0 0 218.275 2.608 10 30 BFEERN N#C[C@H]1CN1C(=O)Nc1cccc2ccccc21 ZINC000027559613 181070155 /nfs/dbraw/zinc/07/01/55/181070155.db2.gz WTPBNYGXGYMXNL-PIJUOJQZSA-N 0 0 237.262 2.579 10 30 in-vivo BFEERN N#Cc1cc(-c2cc[nH]c(=O)c2)ccc1Cl ZINC000065339338 181080459 /nfs/dbraw/zinc/08/04/59/181080459.db2.gz AENCBMPPNRKFOI-UHFFFAOYSA-N 0 0 230.654 2.567 10 30 BFEERN N#Cc1cc(-c2cc(O)cc(F)c2)ccc1O ZINC000065341370 181080589 /nfs/dbraw/zinc/08/05/89/181080589.db2.gz MIPKOJFYMYMCRB-UHFFFAOYSA-N 0 0 229.210 2.776 10 30 BFEERN N#Cc1cc(-c2ccc(O)cn2)ccc1Cl ZINC000065355924 181080647 /nfs/dbraw/zinc/08/06/47/181080647.db2.gz CNDWSSRMNFBFJJ-UHFFFAOYSA-N 0 0 230.654 2.979 10 30 BFEERN N#Cc1cc(-c2cccc([N+](=O)[O-])c2)ccc1O ZINC000065341448 181080734 /nfs/dbraw/zinc/08/07/34/181080734.db2.gz POQRAWTXFLXFBH-UHFFFAOYSA-N 0 0 240.218 2.839 10 30 BFEERN N#Cc1cc(Br)cc2cc[nH]c21 ZINC000076188337 181081379 /nfs/dbraw/zinc/08/13/79/181081379.db2.gz GNZQTXMQXDSZJL-UHFFFAOYSA-N 0 0 221.057 2.802 10 30 BFEERN N#Cc1cc(Cl)c2cc(F)ccc2n1 ZINC000077255359 181086272 /nfs/dbraw/zinc/08/62/72/181086272.db2.gz LMMUDMCAOORXBY-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN N#Cc1cc(F)ccc1NCc1ccccc1N ZINC000104248895 181087996 /nfs/dbraw/zinc/08/79/96/181087996.db2.gz AKGOPTHUTFGBNJ-UHFFFAOYSA-N 0 0 241.269 2.892 10 30 BFEERN N#Cc1ccc(-c2cccs2)cc1O ZINC000065341270 181095859 /nfs/dbraw/zinc/09/58/59/181095859.db2.gz XBOHNSRJECZGLO-UHFFFAOYSA-N 0 0 201.250 2.992 10 30 BFEERN N#Cc1cc(N)cnc1NCCC1CCCC1 ZINC000037759210 181089097 /nfs/dbraw/zinc/08/90/97/181089097.db2.gz HXMXWSYLRJLSTO-UHFFFAOYSA-N 0 0 230.315 2.528 10 30 BFEERN N#Cc1cc(N)ccc1NC(=O)C1CCCCC1 ZINC000036737846 181089098 /nfs/dbraw/zinc/08/90/98/181089098.db2.gz QGJHLFVAMFQMKE-UHFFFAOYSA-N 0 0 243.310 2.659 10 30 BFEERN N#Cc1cc(N)cnc1Sc1cccs1 ZINC000037759436 181089834 /nfs/dbraw/zinc/08/98/34/181089834.db2.gz UMPFRXRHNSRSKK-UHFFFAOYSA-N 0 0 233.321 2.748 10 30 BFEERN N#Cc1cc(N)cnc1Nc1ccc(F)c(F)c1 ZINC000037758983 181090002 /nfs/dbraw/zinc/09/00/02/181090002.db2.gz SOWOTPRNMJBZTQ-UHFFFAOYSA-N 0 0 246.220 2.557 10 30 BFEERN N#Cc1cc(NCc2ccncc2)ccc1F ZINC000051635197 181091887 /nfs/dbraw/zinc/09/18/87/181091887.db2.gz OFFQNZANHHBNNA-UHFFFAOYSA-N 0 0 227.242 2.704 10 30 BFEERN N#Cc1cc(OC2CC2)cnc1C(F)(F)F ZINC000095734778 181092356 /nfs/dbraw/zinc/09/23/56/181092356.db2.gz SQYDPKHRWDSJRS-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN N#Cc1cc(OC2CCCCC2)ccc1O ZINC000095721494 181092457 /nfs/dbraw/zinc/09/24/57/181092457.db2.gz LOPBCIZHCOSJNZ-UHFFFAOYSA-N 0 0 217.268 2.975 10 30 BFEERN N#Cc1ccc(CC(=O)c2ccc(F)cc2)nc1 ZINC000098180810 181102300 /nfs/dbraw/zinc/10/23/00/181102300.db2.gz ASBTXFRDJATCKA-UHFFFAOYSA-N 0 0 240.237 2.518 10 30 BFEERN N#Cc1ccc(C[C@H](O)c2ccccc2)cc1 ZINC000082291170 181111083 /nfs/dbraw/zinc/11/10/83/181111083.db2.gz DWCFOSMLLJNOML-HNNXBMFYSA-N 0 0 223.275 2.834 10 30 BFEERN N#Cc1ccc(COC[C@@H]2CCCCO2)c(F)c1 ZINC000019510104 181111111 /nfs/dbraw/zinc/11/11/11/181111111.db2.gz PWOHLDPMQAGWDV-ZDUSSCGKSA-N 0 0 249.285 2.783 10 30 BFEERN N#Cc1ccc(F)c(COC[C@H]2CCCCO2)c1 ZINC000019518316 181112884 /nfs/dbraw/zinc/11/28/84/181112884.db2.gz LLMMMWDZKGTOPH-CYBMUJFWSA-N 0 0 249.285 2.783 10 30 BFEERN N#Cc1ccc(F)c(COc2ccccc2N)c1 ZINC000019271804 181113377 /nfs/dbraw/zinc/11/33/77/181113377.db2.gz NKGKTBVIWWWKMT-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#Cc1ccc(NCc2ccc(F)cc2)c(N)c1 ZINC000035674386 181123892 /nfs/dbraw/zinc/12/38/92/181123892.db2.gz WFQAHPVKMQZSJB-UHFFFAOYSA-N 0 0 241.269 2.892 10 30 BFEERN N#Cc1ccc(OCCCOC2CCC2)cc1 ZINC000050520504 181127586 /nfs/dbraw/zinc/12/75/86/181127586.db2.gz ZUJQAGMBKRABRF-UHFFFAOYSA-N 0 0 231.295 2.896 10 30 BFEERN N#Cc1ccc2nc(Br)ccc2c1 ZINC000079003726 181133326 /nfs/dbraw/zinc/13/33/26/181133326.db2.gz DDBQBIHNQHJVMH-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN N#Cc1ccccc1N1Cc2ccccc2C1=N ZINC000020078833 181147956 /nfs/dbraw/zinc/14/79/56/181147956.db2.gz ARKTXJWEHHTEOW-UHFFFAOYSA-N 0 0 233.274 2.904 10 30 BFEERN N#Cc1ccccc1NC(=O)N1CCCCCC1 ZINC000071794365 181148321 /nfs/dbraw/zinc/14/83/21/181148321.db2.gz USCIWLZJXQFAIR-UHFFFAOYSA-N 0 0 243.310 2.966 10 30 BFEERN N#Cc1ccccc1NC[C@@H]1CCCCO1 ZINC000035216820 181148434 /nfs/dbraw/zinc/14/84/34/181148434.db2.gz MTQKWGZYJJJRKT-LBPRGKRZSA-N 0 0 216.284 2.539 10 30 BFEERN N#Cc1ccccc1N[C@H]1CCCSC1 ZINC000061571241 181149227 /nfs/dbraw/zinc/14/92/27/181149227.db2.gz PIWXGIINDBBLPV-NSHDSACASA-N 0 0 218.325 2.866 10 30 BFEERN N#Cc1ccccc1O[C@H](C[NH3+])c1cccs1 ZINC000043109108 181149960 /nfs/dbraw/zinc/14/99/60/181149960.db2.gz DCTOOXQXFHCRCP-GFCCVEGCSA-N 0 0 244.319 2.699 10 30 BFEERN N#Cc1ccccc1Oc1cccc(N)c1 ZINC000036667197 181149963 /nfs/dbraw/zinc/14/99/63/181149963.db2.gz FTFTVWBKXGKLSF-UHFFFAOYSA-N 0 0 210.236 2.933 10 30 BFEERN N#Cc1cccnc1-c1ccc(Cl)cn1 ZINC000072204263 181150859 /nfs/dbraw/zinc/15/08/59/181150859.db2.gz NUHBVKDBLIYQGV-UHFFFAOYSA-N 0 0 215.643 2.669 10 30 BFEERN N#Cc1cccnc1N1C[C@@H]2CCCCC[C@H]21 ZINC000365878250 181151626 /nfs/dbraw/zinc/15/16/26/181151626.db2.gz BPTSSBGDSJPQKM-QWHCGFSZSA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1ccnc(SCc2ccco2)c1 ZINC000034957887 181158122 /nfs/dbraw/zinc/15/81/22/181158122.db2.gz WNUMNQJPTVVPPI-UHFFFAOYSA-N 0 0 216.265 2.839 10 30 BFEERN N#Cc1ccnc(SC(F)(F)F)c1 ZINC000095918414 181158319 /nfs/dbraw/zinc/15/83/19/181158319.db2.gz VZCZSASIYJMDOB-UHFFFAOYSA-N 0 0 204.176 2.565 10 30 BFEERN N#Cc1nc(N2C[C@H]3CCC[C@@H]32)ccc1Cl ZINC000336340489 181168766 /nfs/dbraw/zinc/16/87/66/181168766.db2.gz DCFPSMSIICWFFT-KCJUWKMLSA-N 0 0 233.702 2.595 10 30 BFEERN N#Cc1nccnc1Nc1cccc2ncccc21 ZINC000054379040 181175468 /nfs/dbraw/zinc/17/54/68/181175468.db2.gz WHGGZKOCZVUAST-UHFFFAOYSA-N 0 0 247.261 2.640 10 30 BFEERN CCCCC[C@@H]1/C(=N/O)CC[C@@H]1CC(=O)OC ZINC000012618390 168740451 /nfs/dbraw/zinc/74/04/51/168740451.db2.gz NMOXUEJWSISUMP-UQEVHAAFSA-N 0 0 241.331 2.986 10 30 BFEERN N#Cc1oc2c(cccc2Br)c1N ZINC000095929666 181177136 /nfs/dbraw/zinc/17/71/36/181177136.db2.gz ZAWVTYKPWTWITD-UHFFFAOYSA-N 0 0 237.056 2.649 10 30 BFEERN Cc1cc(N[C@H]2C[C@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413120843 191358229 /nfs/dbraw/zinc/35/82/29/191358229.db2.gz SNGFDPWPMXIQPK-XCBNKYQSSA-N 0 0 231.255 2.595 10 30 BFEERN C=C(C)CCNc1nccnc1C(C)C ZINC000413311136 191371613 /nfs/dbraw/zinc/37/16/13/191371613.db2.gz IBWUUTNWEROHOO-UHFFFAOYSA-N 0 0 205.305 2.978 10 30 BFEERN Nc1cc(F)ccc1C(=O)C1=CCCC1 ZINC000166273529 355348784 /nfs/dbraw/zinc/34/87/84/355348784.db2.gz NKMOVDZEHKSAHX-UHFFFAOYSA-N 0 0 205.232 2.701 10 30 BFEERN C=C([C@H](O)c1ccccc1)C(F)(F)F ZINC000034515270 355580665 /nfs/dbraw/zinc/58/06/65/355580665.db2.gz IEZDCVXHGMSQMQ-VIFPVBQESA-N 0 0 202.175 2.839 10 30 BFEERN CN[C@@H](C#N)c1ccc(C)cc1Br ZINC000129641676 355766723 /nfs/dbraw/zinc/76/67/23/355766723.db2.gz AAIIWDRDOZLUQI-JTQLQIEISA-N 0 0 239.116 2.542 10 30 BFEERN C=C(CC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000014591183 355868538 /nfs/dbraw/zinc/86/85/38/355868538.db2.gz ZPIUXAZYNQLASP-UHFFFAOYSA-N 0 0 242.315 2.616 10 30 BFEERN CC1(C)CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000336033056 134058911 /nfs/dbraw/zinc/05/89/11/134058911.db2.gz KMOMXALZQKMSJC-RYUDHWBXSA-N 0 0 249.358 2.510 10 30 BFEERN CSCCCNc1cc(C)nc(C)c1C#N ZINC000087975118 356384781 /nfs/dbraw/zinc/38/47/81/356384781.db2.gz RVEUJDHGFIPUMN-UHFFFAOYSA-N 0 0 235.356 2.735 10 30 BFEERN CC=C=CC(=O)c1c(F)cc(F)cc1F ZINC000167880104 356459504 /nfs/dbraw/zinc/45/95/04/356459504.db2.gz SAKMNOCRAKHGRD-UHFFFAOYSA-N 0 0 212.170 2.700 10 30 BFEERN CC=CC(=O)c1ccc(Br)o1 ZINC000167855794 356441748 /nfs/dbraw/zinc/44/17/48/356441748.db2.gz HHCPBGNERBAUDA-UHFFFAOYSA-N 0 0 215.046 2.801 10 30 BFEERN C=C(Br)CNc1ccc(F)cc1N ZINC000168181740 356536264 /nfs/dbraw/zinc/53/62/64/356536264.db2.gz NSKZFGBIESPDPF-UHFFFAOYSA-N 0 0 245.095 2.728 10 30 BFEERN C[C@@]12CCN(CC3(C#N)CCC3)C[C@@H]1C2(F)F ZINC000336275667 134141669 /nfs/dbraw/zinc/14/16/69/134141669.db2.gz XCOZKFQOMLXGJV-WDEREUQCSA-N 0 0 240.297 2.657 10 30 BFEERN C=CCCC[C@@H](C#N)NC(=O)OC(C)(C)C ZINC000675050953 538473168 /nfs/dbraw/zinc/47/31/68/538473168.db2.gz DDOSOFYHHMMAPK-JTQLQIEISA-N 0 0 224.304 2.760 10 30 BFEERN CC(C)(C)OC(=O)C#Cc1c(F)cccc1F ZINC000675078529 538516011 /nfs/dbraw/zinc/51/60/11/538516011.db2.gz HMTCQCSEXXIKJC-UHFFFAOYSA-N 0 0 238.233 2.658 10 30 BFEERN C#CCCCCC(=O)Nc1ccc(C#C)cc1 ZINC000675079156 538517529 /nfs/dbraw/zinc/51/75/29/538517529.db2.gz QHZSZENZSPGZFE-UHFFFAOYSA-N 0 0 225.291 2.800 10 30 BFEERN OCc1ccc(C#CC(F)(F)F)c(Cl)c1 ZINC000675079151 538517931 /nfs/dbraw/zinc/51/79/31/538517931.db2.gz PYUWJZQJQLBEGX-UHFFFAOYSA-N 0 0 234.604 2.746 10 30 BFEERN CCCCCC[C@@]1(C)O[C@H]1C(=O)OCC ZINC000084324634 538531168 /nfs/dbraw/zinc/53/11/68/538531168.db2.gz NXOPBRGMCUPJEI-CMPLNLGQSA-N 0 0 214.305 2.677 10 30 BFEERN COC(=O)[C@@H]1O[C@]12CCC[C@@H](C(C)C)CC2 ZINC000084324399 538531189 /nfs/dbraw/zinc/53/11/89/538531189.db2.gz DPGQQANHDRGWMN-MDZLAQPJSA-N 0 0 226.316 2.533 10 30 BFEERN CCOC(=O)[C@@H]1O[C@@]12CCC[C@H](CC)CC2 ZINC000084324566 538531239 /nfs/dbraw/zinc/53/12/39/538531239.db2.gz KAVPCMXGPRMOJI-GMXVVIOVSA-N 0 0 226.316 2.677 10 30 BFEERN Cc1ccccc1NC1=N[C@H](C)CS1 ZINC000035295163 356697172 /nfs/dbraw/zinc/69/71/72/356697172.db2.gz GHDOFHSENJXZST-SECBINFHSA-N 0 0 206.314 2.707 10 30 BFEERN CC[C@H](C)C[C@@]1(CC)O[C@]1(C)C(=O)OC ZINC000085657991 538544622 /nfs/dbraw/zinc/54/46/22/538544622.db2.gz DFZNKISIFZZVNX-MVWJERBFSA-N 0 0 214.305 2.533 10 30 BFEERN COC(=O)[C@]1(C)O[C@]12CCCC(C)(C)CC2 ZINC000085657792 538545214 /nfs/dbraw/zinc/54/52/14/538545214.db2.gz RCBSMLRWAGUZNG-STQMWFEESA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@@]1(C(C)C)OC12CCCCCC2 ZINC000086182718 538552554 /nfs/dbraw/zinc/55/25/54/538552554.db2.gz KCNTYTXLXHKOMA-CYBMUJFWSA-N 0 0 226.316 2.677 10 30 BFEERN CCC[C@]1(C2CCCC2)O[C@@]1(C)C(=O)OC ZINC000313426090 538579932 /nfs/dbraw/zinc/57/99/32/538579932.db2.gz YJRKUFJGNCGANQ-QWHCGFSZSA-N 0 0 226.316 2.677 10 30 BFEERN C#C[C@H]([NH3+])c1ccc(Cl)cc1Cl ZINC000130091516 357183484 /nfs/dbraw/zinc/18/34/84/357183484.db2.gz DBZJVXWMFVHMHT-VIFPVBQESA-N 0 0 200.068 2.626 10 30 BFEERN CCN(CCC#N)c1ccc(F)cc1[C@@H](C)O ZINC000042450933 169816424 /nfs/dbraw/zinc/81/64/24/169816424.db2.gz VHAKBYGRJSCALB-SNVBAGLBSA-N 0 0 236.290 2.619 10 30 BFEERN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCO[C@@H]1C ZINC000190016747 357687728 /nfs/dbraw/zinc/68/77/28/357687728.db2.gz SXMYSMYAMIWUIM-YNEHKIRRSA-N 0 0 239.359 2.663 10 30 BFEERN Cc1cnc([C@@H](C)NCC#Cc2ccccc2)o1 ZINC000235190233 357855216 /nfs/dbraw/zinc/85/52/16/357855216.db2.gz ZTOWVXRVFQARMJ-CYBMUJFWSA-N 0 0 240.306 2.685 10 30 BFEERN CCC#Cc1ccc(Br)cn1 ZINC000137876295 358009520 /nfs/dbraw/zinc/00/95/20/358009520.db2.gz WPGFLJFZRWPPTK-UHFFFAOYSA-N 0 0 210.074 2.606 10 30 BFEERN CC[C@H](C#N)C(=O)N[C@H]1CCCc2ccccc21 ZINC000051632498 358043722 /nfs/dbraw/zinc/04/37/22/358043722.db2.gz VCSWSQWWMGKUNC-RISCZKNCSA-N 0 0 242.322 2.730 10 30 BFEERN N#Cc1cc(Sc2ccc(O)cc2)ccc1N ZINC000224452885 358233540 /nfs/dbraw/zinc/23/35/40/358233540.db2.gz GYBMIXMDMOIMMD-UHFFFAOYSA-N 0 0 242.303 2.997 10 30 BFEERN BrC#CCOCc1ccccc1 ZINC000040710735 358246041 /nfs/dbraw/zinc/24/60/41/358246041.db2.gz KJYYIXQCDKGQTK-UHFFFAOYSA-N 0 0 225.085 2.559 10 30 BFEERN O=C(C=CNc1ccccn1)c1cccs1 ZINC000584611073 358275123 /nfs/dbraw/zinc/27/51/23/358275123.db2.gz CJXDJPVLFHZYRM-VURMDHGXSA-N 0 0 230.292 2.952 10 30 BFEERN Cc1ncc(N)cc1-c1cnc(Cl)c(C#N)c1 ZINC000584613218 358276993 /nfs/dbraw/zinc/27/69/93/358276993.db2.gz QDQTUGXBCBJHCX-UHFFFAOYSA-N 0 0 244.685 2.559 10 30 BFEERN CC(C)(C)OC(=O)[C@H](CC=O)Cc1ccccc1 ZINC000584596716 358254730 /nfs/dbraw/zinc/25/47/30/358254730.db2.gz IZPFLXDRWFHCAG-CYBMUJFWSA-N 0 0 248.322 2.776 10 30 BFEERN COC(=O)c1ccc([C@@H](C)CCC=O)cc1 ZINC000584597788 358255278 /nfs/dbraw/zinc/25/52/78/358255278.db2.gz LNXMVRCYAAZFIJ-JTQLQIEISA-N 0 0 220.268 2.556 10 30 BFEERN Cc1cc(C23CCC(C=O)(CC2)CC3)ncn1 ZINC000584599819 358256461 /nfs/dbraw/zinc/25/64/61/358256461.db2.gz QRPDUOWDSQEIQJ-UHFFFAOYSA-N 0 0 230.311 2.576 10 30 BFEERN C#C[C@@](O)(c1ccc(C)cc1)C1(C#N)CCC1 ZINC000584600490 358256966 /nfs/dbraw/zinc/25/69/66/358256966.db2.gz MZCNGKFYQISXBG-OAHLLOKOSA-N 0 0 225.291 2.510 10 30 BFEERN C#C[C@](O)(c1cccc(C)c1)C1(C#N)CCC1 ZINC000584600590 358257011 /nfs/dbraw/zinc/25/70/11/358257011.db2.gz RLGIYNJNYYBELK-HNNXBMFYSA-N 0 0 225.291 2.510 10 30 BFEERN CCOP(=O)(C#Cc1ccncc1)OCC ZINC000584602432 358260130 /nfs/dbraw/zinc/26/01/30/358260130.db2.gz UPBUEZYAZLIHPK-UHFFFAOYSA-N 0 0 239.211 2.657 10 30 BFEERN C#C[C@@](OC)(c1ccc(C)cc1)C1(C#N)CC1 ZINC000584603167 358261281 /nfs/dbraw/zinc/26/12/81/358261281.db2.gz LJOZGYSAIKGGPC-OAHLLOKOSA-N 0 0 225.291 2.774 10 30 BFEERN C=C(CCC(=O)OCC)Cc1ccoc1 ZINC000584604412 358262880 /nfs/dbraw/zinc/26/28/80/358262880.db2.gz AYPWODNUVSCFGF-UHFFFAOYSA-N 0 0 208.257 2.722 10 30 BFEERN C#CCCCC[S@@](=O)c1ccccc1 ZINC000584610411 358272994 /nfs/dbraw/zinc/27/29/94/358272994.db2.gz YVXSGISZIMZCGM-CQSZACIVSA-N 0 0 206.310 2.598 10 30 BFEERN CC(C)C[C@H]1Cc2ccccc2N(O)C1=O ZINC000584621846 358289332 /nfs/dbraw/zinc/28/93/32/358289332.db2.gz IIPNTPAVJLTQHK-NSHDSACASA-N 0 0 219.284 2.627 10 30 BFEERN CC(C)C[C@@H]1Cc2ccccc2N(O)C1=O ZINC000584621845 358289442 /nfs/dbraw/zinc/28/94/42/358289442.db2.gz IIPNTPAVJLTQHK-LLVKDONJSA-N 0 0 219.284 2.627 10 30 BFEERN C=CCN1C(=O)CC(C)(CCCCC)CC1=O ZINC000584624318 358292337 /nfs/dbraw/zinc/29/23/37/358292337.db2.gz VZUOCDNCWRZRRW-UHFFFAOYSA-N 0 0 237.343 2.908 10 30 BFEERN C=CCOc1ccc(CC(C)=O)c(F)c1 ZINC000584627902 358297254 /nfs/dbraw/zinc/29/72/54/358297254.db2.gz PJMZMIXAMZVZOE-UHFFFAOYSA-N 0 0 208.232 2.522 10 30 BFEERN C#Cc1ccc(OCc2ccc(OC)cc2)cn1 ZINC000584649109 358304018 /nfs/dbraw/zinc/30/40/18/358304018.db2.gz ZAXKDYTZAUDRBS-UHFFFAOYSA-N 0 0 239.274 2.651 10 30 BFEERN C=CCN(C(=O)CC)c1ccccc1OC ZINC000584651388 358306432 /nfs/dbraw/zinc/30/64/32/358306432.db2.gz KFOHRKDCMREHLW-UHFFFAOYSA-N 0 0 219.284 2.624 10 30 BFEERN N#CCNCc1c(Cl)cccc1C(F)(F)F ZINC000584644057 358329174 /nfs/dbraw/zinc/32/91/74/358329174.db2.gz YUIIUCKBSUNNCK-UHFFFAOYSA-N 0 0 248.635 2.972 10 30 BFEERN C[C@H](C#N)C(=O)N[C@@H](C)c1cccc(Cl)c1 ZINC000044825634 358556063 /nfs/dbraw/zinc/55/60/63/358556063.db2.gz SVQHRXPQLCNMNT-BDAKNGLRSA-N 0 0 236.702 2.677 10 30 BFEERN C#C[C@H](NC)c1c(Cl)cccc1Cl ZINC000130192318 358749883 /nfs/dbraw/zinc/74/98/83/358749883.db2.gz CRCQVAWWMSEVAR-VIFPVBQESA-N 0 0 214.095 2.887 10 30 BFEERN CCOc1ccc(C#N)c(C(F)(F)F)c1 ZINC000036805602 359676152 /nfs/dbraw/zinc/67/61/52/359676152.db2.gz MEYXOAAGWDHJBP-UHFFFAOYSA-N 0 0 215.174 2.976 10 30 BFEERN Cc1nc(C2(C#N)CC2)ccc1Br ZINC000306370663 359706066 /nfs/dbraw/zinc/70/60/66/359706066.db2.gz NGADXXDBQQKFKJ-UHFFFAOYSA-N 0 0 237.100 2.708 10 30 BFEERN COCc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1 ZINC000088568454 359966975 /nfs/dbraw/zinc/96/69/75/359966975.db2.gz GZHNMFCZHUMAAJ-GJZGRUSLSA-N 0 0 244.338 2.615 10 30 BFEERN C#C[C@@](C)(CC)Oc1nc(Cl)cs1 ZINC000306454512 360041651 /nfs/dbraw/zinc/04/16/51/360041651.db2.gz LQDIQKTXHOEMGN-VIFPVBQESA-N 0 0 215.705 2.977 10 30 BFEERN CC(C)(C=O)Cc1ccc(Br)cn1 ZINC000306462737 360071849 /nfs/dbraw/zinc/07/18/49/360071849.db2.gz HVUIEXKGEHWXTM-UHFFFAOYSA-N 0 0 242.116 2.612 10 30 BFEERN C=C([C@@H](O)[C@@]1(C)CCCS1)C(F)(F)F ZINC000306498621 360238301 /nfs/dbraw/zinc/23/83/01/360238301.db2.gz FUSJBOIEEUVVJM-HTQZYQBOSA-N 0 0 226.263 2.752 10 30 BFEERN C=CCCNc1ncc2ccsc2n1 ZINC000306535366 360399370 /nfs/dbraw/zinc/39/93/70/360399370.db2.gz JWIOOYZJQMZROW-UHFFFAOYSA-N 0 0 205.286 2.679 10 30 BFEERN CC#CC[C@@H](O)c1csc(Cl)c1 ZINC000306524401 360368624 /nfs/dbraw/zinc/36/86/24/360368624.db2.gz YEONZLRJRUBDRH-MRVPVSSYSA-N 0 0 200.690 2.848 10 30 BFEERN O=C1C=C(CC[C@H]2CCOC2)CCCC1 ZINC000306588339 360492522 /nfs/dbraw/zinc/49/25/22/360492522.db2.gz SZLYFWYVZNKATE-LBPRGKRZSA-N 0 0 208.301 2.873 10 30 BFEERN CC(C)(C)C#CC[C@H](O)C(F)(F)Cl ZINC000300751149 360454684 /nfs/dbraw/zinc/45/46/84/360454684.db2.gz LDZNFLFQVONMEB-ZETCQYMHSA-N 0 0 210.651 2.619 10 30 BFEERN CC(C)=CC(=O)c1cccc(N(C)C)c1 ZINC000161095845 360523175 /nfs/dbraw/zinc/52/31/75/360523175.db2.gz YSAWVYFRQYAPMA-UHFFFAOYSA-N 0 0 203.285 2.902 10 30 BFEERN CC(C)=CC(=O)c1ccc(N(C)C)cc1 ZINC000161082095 360505429 /nfs/dbraw/zinc/50/54/29/360505429.db2.gz DUBQBUCSNKDGNN-UHFFFAOYSA-N 0 0 203.285 2.902 10 30 BFEERN N#C[C@@H](CCC1CC1)NCc1ccccc1 ZINC000306595351 360515773 /nfs/dbraw/zinc/51/57/73/360515773.db2.gz KQNYASWLACEKMO-CQSZACIVSA-N 0 0 214.312 2.859 10 30 BFEERN O=C1C=CO[C@@H](c2ccc(Cl)s2)C1 ZINC000069850485 360702734 /nfs/dbraw/zinc/70/27/34/360702734.db2.gz NQPOGEORESUYAI-SSDOTTSWSA-N 0 0 214.673 2.946 10 30 BFEERN Cc1cc([N+](=O)[O-])cc(Br)c1C#N ZINC000306613274 361080437 /nfs/dbraw/zinc/08/04/37/361080437.db2.gz KNEQIFGKFHXRRS-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN Cc1cc(C#N)cc(F)c1Br ZINC000238479545 361098182 /nfs/dbraw/zinc/09/81/82/361098182.db2.gz AAWKHSBRKAJYCX-UHFFFAOYSA-N 0 0 214.037 2.768 10 30 BFEERN Cc1cccc(CC#N)c1OC(F)(F)F ZINC000238516997 361134047 /nfs/dbraw/zinc/13/40/47/361134047.db2.gz PRXSPYGYNIWJLV-UHFFFAOYSA-N 0 0 215.174 2.960 10 30 BFEERN N#Cc1cncc(Cl)c1OC(F)(F)F ZINC000238521255 361138135 /nfs/dbraw/zinc/13/81/35/361138135.db2.gz GTEZFUMEMBWCFA-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#Cc1cc(OC(F)F)ccc1Br ZINC000238526238 361139512 /nfs/dbraw/zinc/13/95/12/361139512.db2.gz UWKPICMZPQRBRY-UHFFFAOYSA-N 0 0 248.026 2.922 10 30 BFEERN N#Cc1nc2cccc(OC(F)F)c2s1 ZINC000238530290 361140464 /nfs/dbraw/zinc/14/04/64/361140464.db2.gz MKWLVDRDPGJVAL-UHFFFAOYSA-N 0 0 226.207 2.769 10 30 BFEERN CC#CC[C@H](O)c1ccc(Br)s1 ZINC000070597638 361582644 /nfs/dbraw/zinc/58/26/44/361582644.db2.gz LWOYRPCGQILLDQ-ZETCQYMHSA-N 0 0 245.141 2.957 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000328924297 541328371 /nfs/dbraw/zinc/32/83/71/541328371.db2.gz VJFYFRPYZHSLHU-WHOHXGKFSA-N 0 0 218.300 2.681 10 30 BFEERN CC#C[C@H](O)c1ccc(Br)cc1 ZINC000038302364 364442309 /nfs/dbraw/zinc/44/23/09/364442309.db2.gz ASGMXNFQNOZHGW-JTQLQIEISA-N 0 0 225.085 2.506 10 30 BFEERN C[C@@H](C#N)Oc1ccc(C#N)cc1Cl ZINC000007857012 364556913 /nfs/dbraw/zinc/55/69/13/364556913.db2.gz JVNHCIMRPGOGHC-ZETCQYMHSA-N 0 0 206.632 2.503 10 30 BFEERN C[C@H](CC(=O)N[C@@H]1CCC[C@H]1C#N)C(C)(C)C ZINC000251725661 325680863 /nfs/dbraw/zinc/68/08/63/325680863.db2.gz ZKHLUHSWVRVRQL-GRYCIOLGSA-N 0 0 236.359 2.867 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@@]12CCCC[C@H]2C ZINC000252574536 541450232 /nfs/dbraw/zinc/45/02/32/541450232.db2.gz GBCGNDKJFJNHCA-RTXFEEFZSA-N 0 0 226.316 2.533 10 30 BFEERN C[C@@H]1CC[C@@H](C)c2c(C#N)c(N)ncc21 ZINC000675064325 541466265 /nfs/dbraw/zinc/46/62/65/541466265.db2.gz YCLVNJYUAVFTTE-HTQZYQBOSA-N 0 0 201.273 2.536 10 30 BFEERN CCO/C=C/C(=O)c1cccc(F)c1F ZINC000233640553 541508728 /nfs/dbraw/zinc/50/87/28/541508728.db2.gz JGCCUNCQQIIGIG-VOTSOKGWSA-N 0 0 212.195 2.698 10 30 BFEERN C[C@H](CO)S[C@H]1CCCCC[C@H]1C#N ZINC000252755055 368015723 /nfs/dbraw/zinc/01/57/23/368015723.db2.gz IWZQSFUDCCOQDK-VWYCJHECSA-N 0 0 213.346 2.573 10 30 BFEERN CCOC(=O)CCc1c[nH]c2c1cccc2C#N ZINC000116127440 368342570 /nfs/dbraw/zinc/34/25/70/368342570.db2.gz PEXVYEYITQBYKI-UHFFFAOYSA-N 0 0 242.278 2.535 10 30 BFEERN O=C1C=C2CC[C@H]([C@@H]3CCC[C@H]3O)C[C@H]2CC1 ZINC000105131870 368394788 /nfs/dbraw/zinc/39/47/88/368394788.db2.gz NDBGXAGSCJKZCP-UEEZHKSASA-N 0 0 234.339 2.853 10 30 BFEERN CC(=O)/C=C\[C@H]1[C@@]2(C)O[C@H]2CCC1(C)C ZINC000140126916 368413757 /nfs/dbraw/zinc/41/37/57/368413757.db2.gz ODMUHAHUBCUABS-OHHFHDNTSA-N 0 0 208.301 2.725 10 30 BFEERN CCNC(=S)N/N=C(C)/C=C/c1ccccc1 ZINC000048573221 368419946 /nfs/dbraw/zinc/41/99/46/368419946.db2.gz FTPVBAJJLMKRJL-LVICEBGESA-N 0 0 247.367 2.560 10 30 BFEERN C=C(CCc1ccc(C#N)cc1)C(=O)OCC ZINC000039041772 368408124 /nfs/dbraw/zinc/40/81/24/368408124.db2.gz QBELRUSIGLNEPE-UHFFFAOYSA-N 0 0 229.279 2.610 10 30 BFEERN C=C[C@@](C)(O)c1ccc2c(c1)C(C)(C)CO2 ZINC000039149907 368409202 /nfs/dbraw/zinc/40/92/02/368409202.db2.gz CPTXTEZMKLFSOH-CQSZACIVSA-N 0 0 218.296 2.750 10 30 BFEERN N#CC(C#N)=NNc1cccc2ccccc21 ZINC000003100598 368864449 /nfs/dbraw/zinc/86/44/49/368864449.db2.gz XZDJDCVLKLFOLK-UHFFFAOYSA-N 0 0 220.235 2.655 10 30 BFEERN CC(C)(C)c1ccc(C2=NOC(=O)C2)cc1 ZINC000112985155 368881465 /nfs/dbraw/zinc/88/14/65/368881465.db2.gz VSIUCKVSNHVIDI-UHFFFAOYSA-N 0 0 217.268 2.635 10 30 BFEERN O=C[C@H]1CCCN(Cc2ccc(Cl)s2)C1 ZINC000054219145 369062028 /nfs/dbraw/zinc/06/20/28/369062028.db2.gz QRSUCKDURQVLNG-VIFPVBQESA-N 0 0 243.759 2.812 10 30 BFEERN C=CCCC(=O)c1ccc(OC)c(F)c1 ZINC000106889616 369215897 /nfs/dbraw/zinc/21/58/97/369215897.db2.gz IUAZHWQIVZDBAA-UHFFFAOYSA-N 0 0 208.232 2.983 10 30 BFEERN N#Cc1c(-c2ccco2)n[nH]c1C1CCC1 ZINC000409442414 369977953 /nfs/dbraw/zinc/97/79/53/369977953.db2.gz ZRFYYLNNCSEAEM-UHFFFAOYSA-N 0 0 213.240 2.809 10 30 BFEERN Cc1nc(C#N)cc([C@H](C)c2ccccc2)n1 ZINC000409440587 369976846 /nfs/dbraw/zinc/97/68/46/369976846.db2.gz XSYPDQBWBMHOQM-SNVBAGLBSA-N 0 0 223.279 2.809 10 30 BFEERN COc1ccc(/C=[N+](\[O-])c2ccccc2)cc1 ZINC000225428970 370614715 /nfs/dbraw/zinc/61/47/15/370614715.db2.gz CUENYVYRZOPFNF-PTNGSMBKSA-N 0 0 228.271 2.848 10 30 BFEERN [O-]/[N+](=C/c1ccc(F)cc1)c1ccccc1 ZINC000225520204 371011142 /nfs/dbraw/zinc/01/11/42/371011142.db2.gz BXLRZNILYMPUCB-XNTDXEJSSA-N 0 0 216.235 2.978 10 30 BFEERN N#Cc1ccccc1Oc1ccc(CO)cc1 ZINC000020435244 371280867 /nfs/dbraw/zinc/28/08/67/371280867.db2.gz PTJBIEPYEKWSSY-UHFFFAOYSA-N 0 0 225.247 2.843 10 30 BFEERN CCCCN(CC)c1nc(C)ccc1C#N ZINC000043399008 168804320 /nfs/dbraw/zinc/80/43/20/168804320.db2.gz CJPZKTNUZRAZDP-UHFFFAOYSA-N 0 0 217.316 2.888 10 30 BFEERN Cc1ccc([C@H](C)NC(=O)C2(C#N)CC(C)C2)o1 ZINC000125741533 371392943 /nfs/dbraw/zinc/39/29/43/371392943.db2.gz ODEYKHDRIVVHAI-ZQDGQSPWSA-N 0 0 246.310 2.705 10 30 BFEERN CC(C)(C#N)Cc1cncc(Br)c1 ZINC000161828289 371569296 /nfs/dbraw/zinc/56/92/96/371569296.db2.gz FAMIRIPCRWAPBE-UHFFFAOYSA-N 0 0 239.116 2.936 10 30 BFEERN CC[C@@H]1CCCCN1c1ccc(N)c(C#N)c1 ZINC000131476998 371607677 /nfs/dbraw/zinc/60/76/77/371607677.db2.gz HQCUWBOYWCNQOD-GFCCVEGCSA-N 0 0 229.327 2.909 10 30 BFEERN C[C@H](CO)Sc1ccc(Cl)cc1C#N ZINC000162418126 371673531 /nfs/dbraw/zinc/67/35/31/371673531.db2.gz HHXWHLZLKDWHPC-SSDOTTSWSA-N 0 0 227.716 2.685 10 30 BFEERN Cc1cc(Br)c(N)c(C#N)c1Cl ZINC000131897356 371708568 /nfs/dbraw/zinc/70/85/68/371708568.db2.gz RENXELXYAFPSOB-UHFFFAOYSA-N 0 0 245.507 2.865 10 30 BFEERN N#Cc1c(N)c(Cl)cc(F)c1Br ZINC000131873268 371703406 /nfs/dbraw/zinc/70/34/06/371703406.db2.gz IDDPMAVPUIJJOB-UHFFFAOYSA-N 0 0 249.470 2.695 10 30 BFEERN Cc1ccncc1CN[C@H]1CCCC[C@H]1C#N ZINC000162755835 371840012 /nfs/dbraw/zinc/84/00/12/371840012.db2.gz RZZPBKAWCBLNSN-JSGCOSHPSA-N 0 0 229.327 2.562 10 30 BFEERN CC[C@H](C#N)Oc1ccc(Br)nc1 ZINC000230302031 371889487 /nfs/dbraw/zinc/88/94/87/371889487.db2.gz KVZAQOCIQGZJHV-SSDOTTSWSA-N 0 0 241.088 2.525 10 30 BFEERN N#Cc1cc(Br)cc(NC2CC2)c1 ZINC000227603751 371902276 /nfs/dbraw/zinc/90/22/76/371902276.db2.gz GZOHOTTUWRSODV-UHFFFAOYSA-N 0 0 237.100 2.895 10 30 BFEERN C=C(C)CC(=O)[C@@H]1SCCS[C@H]1C ZINC000228078968 371986426 /nfs/dbraw/zinc/98/64/26/371986426.db2.gz AVDCBCXLCWXQCR-WCBMZHEXSA-N 0 0 216.371 2.759 10 30 BFEERN C[C@@H]1CC[C@](C=O)(Cc2cncs2)C1 ZINC000306720772 372060092 /nfs/dbraw/zinc/06/00/92/372060092.db2.gz CZQSAKJDDGKDOU-MWLCHTKSSA-N 0 0 209.314 2.691 10 30 BFEERN CC1(C(=O)N[C@H]2CCC[C@H]2C#N)CCCCC1 ZINC000232228533 372116735 /nfs/dbraw/zinc/11/67/35/372116735.db2.gz JUOSLEOHESQUEV-RYUDHWBXSA-N 0 0 234.343 2.765 10 30 BFEERN CC1(C(=O)N[C@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000232228527 372116771 /nfs/dbraw/zinc/11/67/71/372116771.db2.gz JUOSLEOHESQUEV-NEPJUHHUSA-N 0 0 234.343 2.765 10 30 BFEERN O=CCCc1cccc(Br)c1F ZINC000228807295 372081753 /nfs/dbraw/zinc/08/17/53/372081753.db2.gz QKMNVSGQFAHHPN-UHFFFAOYSA-N 0 0 231.064 2.720 10 30 BFEERN C=CC[C@H](C)Nc1nsnc1Cl ZINC000229326213 372142610 /nfs/dbraw/zinc/14/26/10/372142610.db2.gz UASFYFDOQQDWDO-YFKPBYRVSA-N 0 0 203.698 2.568 10 30 BFEERN Fc1cc([C@@H]2CO2)cc(C(F)(F)F)c1 ZINC000140055333 372418514 /nfs/dbraw/zinc/41/85/14/372418514.db2.gz IGRLLLZMGYJHBP-QMMMGPOBSA-N 0 0 206.138 2.916 10 30 BFEERN CCc1c(N)ccc(C#N)c1C(F)(F)F ZINC000039101752 372866774 /nfs/dbraw/zinc/86/67/74/372866774.db2.gz ZBZCMARVAOVEKE-UHFFFAOYSA-N 0 0 214.190 2.722 10 30 BFEERN O=C1C=CO[C@@H](c2c(F)cccc2F)C1 ZINC000069850330 373876925 /nfs/dbraw/zinc/87/69/25/373876925.db2.gz FMMSVISQICXJIU-SNVBAGLBSA-N 0 0 210.179 2.509 10 30 BFEERN C=C(C)C(=O)c1cccc(C(=O)OCC)c1 ZINC000381237187 374083053 /nfs/dbraw/zinc/08/30/53/374083053.db2.gz LCPVURFOAHRHJC-UHFFFAOYSA-N 0 0 218.252 2.622 10 30 BFEERN Cc1cc(C#CCCO)c(C)cc1Cl ZINC000070023747 374112340 /nfs/dbraw/zinc/11/23/40/374112340.db2.gz PHJABYWNEZRKIE-UHFFFAOYSA-N 0 0 208.688 2.691 10 30 BFEERN O=C(CCS)Nc1ccc(Cl)cc1 ZINC000041570420 374147538 /nfs/dbraw/zinc/14/75/38/374147538.db2.gz UHHXIXSKZJOLQJ-UHFFFAOYSA-N 0 0 215.705 2.598 10 30 BFEERN Nc1cccc(C(=O)C2=CCCCC2)c1 ZINC000070671469 374171037 /nfs/dbraw/zinc/17/10/37/374171037.db2.gz JEAUKBDYZQTJOG-UHFFFAOYSA-N 0 0 201.269 2.952 10 30 BFEERN Cc1ccc(N)cc1C(=O)C1=CCCC1 ZINC000070671443 374171319 /nfs/dbraw/zinc/17/13/19/374171319.db2.gz ONGSLELTEOCMRV-UHFFFAOYSA-N 0 0 201.269 2.870 10 30 BFEERN CN(C)[C@H](C#N)c1ccc(Br)s1 ZINC000041702938 374177021 /nfs/dbraw/zinc/17/70/21/374177021.db2.gz VCDIAKVETNCYQS-ZCFIWIBFSA-N 0 0 245.145 2.637 10 30 BFEERN CCOC(=O)C[C@@H](C)Nc1ccc(CC#N)cc1 ZINC000051601135 170230877 /nfs/dbraw/zinc/23/08/77/170230877.db2.gz JYPAQWRGXUXDMV-LLVKDONJSA-N 0 0 246.310 2.506 10 30 BFEERN O=C1c2ccccc2[C@]2(CO2)C(Cl)=C1Cl ZINC000084729694 182713862 /nfs/dbraw/zinc/71/38/62/182713862.db2.gz PKDGRNDYXZENGK-LLVKDONJSA-N 0 0 241.073 2.798 10 30 BFEERN O=CCOc1ccc(Cl)cc1Cl ZINC000002173441 182851393 /nfs/dbraw/zinc/85/13/93/182851393.db2.gz LGTVBJZOECKGMQ-UHFFFAOYSA-N 0 0 205.040 2.571 10 30 BFEERN O=CCOc1ccc(Cl)cc1Br ZINC000019776778 182851533 /nfs/dbraw/zinc/85/15/33/182851533.db2.gz SJFDBQVBPVAFGY-UHFFFAOYSA-N 0 0 249.491 2.680 10 30 BFEERN OCCC#Cc1cccc(COC2CCCC2)c1 ZINC000049619870 183042248 /nfs/dbraw/zinc/04/22/48/183042248.db2.gz RSHILKNMYMSQAB-UHFFFAOYSA-N 0 0 244.334 2.880 10 30 BFEERN OCC#Cc1cc(F)ccc1COC1CCCC1 ZINC000049619866 183032054 /nfs/dbraw/zinc/03/20/54/183032054.db2.gz NCPPUCLNZOMMFC-UHFFFAOYSA-N 0 0 248.297 2.629 10 30 BFEERN CCCN(CC(F)(F)F)c1ccc(C#N)cn1 ZINC000042780607 169107344 /nfs/dbraw/zinc/10/73/44/169107344.db2.gz KXNIHOSHNBQCBE-UHFFFAOYSA-N 0 0 243.232 2.732 10 30 BFEERN Oc1ccc(F)cc1/C=N/c1ccccn1 ZINC000064490633 183275374 /nfs/dbraw/zinc/27/53/74/183275374.db2.gz GLJNSQNAIFAYQA-OVCLIPMQSA-N 0 0 216.215 2.677 10 30 BFEERN SCc1nc2cc(Br)ccc2[nH]1 ZINC000071743188 183315755 /nfs/dbraw/zinc/31/57/55/183315755.db2.gz BTQKCCMIBMYZBK-UHFFFAOYSA-N 0 0 243.129 2.755 10 30 BFEERN SCc1csc(-c2ccccn2)n1 ZINC000031890210 183316118 /nfs/dbraw/zinc/31/61/18/183316118.db2.gz RVTPJAQTFPSBKR-UHFFFAOYSA-N 0 0 208.311 2.635 10 30 BFEERN c1cnc2cccc(NC3=NCCCS3)c2c1 ZINC000034971967 183335130 /nfs/dbraw/zinc/33/51/30/183335130.db2.gz YFKAHFDYESIETC-UHFFFAOYSA-N 0 0 243.335 2.949 10 30 BFEERN CCCN[C@@H](C#N)c1ccc(F)cc1F ZINC000020380159 169273405 /nfs/dbraw/zinc/27/34/05/169273405.db2.gz YRTRXUCLOWQOKM-NSHDSACASA-N 0 0 210.227 2.529 10 30 BFEERN CCCOCCC(=O)Nc1cc(C#N)ccc1C ZINC000054434795 169308802 /nfs/dbraw/zinc/30/88/02/169308802.db2.gz ATJPKZNQGFXZPA-UHFFFAOYSA-N 0 0 246.310 2.622 10 30 BFEERN CCCO[C@@H]1CCCN([C@@H](CC)CC#N)C1 ZINC000042422236 169311487 /nfs/dbraw/zinc/31/14/87/169311487.db2.gz LNPHIPHATXGSBO-QWHCGFSZSA-N 0 0 224.348 2.570 10 30 BFEERN CCCNc1nc2c(cc1C#N)CSCC2 ZINC000050871659 169296560 /nfs/dbraw/zinc/29/65/60/169296560.db2.gz WEBIWFPQRXFFNY-UHFFFAOYSA-N 0 0 233.340 2.564 10 30 BFEERN CCC[C@@H](C#N)NC(=O)Nc1ccccc1OC ZINC000040220790 169342949 /nfs/dbraw/zinc/34/29/49/169342949.db2.gz AAYQZDGOXPZERZ-JTQLQIEISA-N 0 0 247.298 2.509 10 30 BFEERN CCC[C@@H](C#N)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000044812138 169343216 /nfs/dbraw/zinc/34/32/16/169343216.db2.gz PQIUPQPTOXYWID-SRVKXCTJSA-N 0 0 222.332 2.716 10 30 BFEERN CCCOc1ccc2cc(C#CCO)ccc2c1 ZINC000042477782 169323139 /nfs/dbraw/zinc/32/31/39/169323139.db2.gz GNVDWKPBZUIAHD-UHFFFAOYSA-N 0 0 240.302 2.972 10 30 BFEERN CCC[C@@H](C)n1c(C)c(C)c(C#N)c1N ZINC000036938825 169375293 /nfs/dbraw/zinc/37/52/93/169375293.db2.gz UVLCMGQBOMVABN-MRVPVSSYSA-N 0 0 205.305 2.920 10 30 BFEERN C[C@]1(Nc2cccc(F)c2C#N)CCCOC1 ZINC000221179621 134317167 /nfs/dbraw/zinc/31/71/67/134317167.db2.gz QHWQBEQHHGDCCZ-ZDUSSCGKSA-N 0 0 234.274 2.678 10 30 BFEERN CCC[C@H](C#N)NC(=O)Nc1ccccc1F ZINC000040220759 169465044 /nfs/dbraw/zinc/46/50/44/169465044.db2.gz OMFZNNJMBIFGKP-SECBINFHSA-N 0 0 235.262 2.639 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1cnccc1C#N ZINC000091729595 169535091 /nfs/dbraw/zinc/53/50/91/169535091.db2.gz RYAUKDMYHRQSED-ONGXEEELSA-N 0 0 201.273 2.554 10 30 BFEERN CCCc1cc(N(CCC#N)C(C)C)ncn1 ZINC000042530854 169564987 /nfs/dbraw/zinc/56/49/87/169564987.db2.gz OSQWXEBTGSRKTB-UHFFFAOYSA-N 0 0 232.331 2.558 10 30 BFEERN N#Cc1c[nH]c2c1c(Br)ccc2F ZINC000299890360 383877936 /nfs/dbraw/zinc/87/79/36/383877936.db2.gz YGTUZFWOHXPMDB-UHFFFAOYSA-N 0 0 239.047 2.941 10 30 BFEERN Cc1c(Cl)cnc(N2C[C@H]3CCC[C@@H]32)c1C#N ZINC000336500255 384017998 /nfs/dbraw/zinc/01/79/98/384017998.db2.gz NFMOAYSCNAZLAN-SKDRFNHKSA-N 0 0 247.729 2.904 10 30 BFEERN O=C(/C=C\c1ccccc1)C(F)(F)F ZINC000091356154 384121220 /nfs/dbraw/zinc/12/12/20/384121220.db2.gz ADEYYFREIBSWFP-SREVYHEPSA-N 0 0 200.159 2.831 10 30 BFEERN O=CCOc1cccc(Cl)c1Cl ZINC000011584305 384290499 /nfs/dbraw/zinc/29/04/99/384290499.db2.gz UFPQYGXGOFUHEO-UHFFFAOYSA-N 0 0 205.040 2.571 10 30 BFEERN C[C@H]1OCC[C@H]1Nc1cccc(Cl)c1C#N ZINC000134559234 384353644 /nfs/dbraw/zinc/35/36/44/384353644.db2.gz MKSPELFFGRUHQL-LDYMZIIASA-N 0 0 236.702 2.801 10 30 BFEERN CC(C)(C)OC(=O)N1CCC[C@H](CCS)C1 ZINC000095085222 384359792 /nfs/dbraw/zinc/35/97/92/384359792.db2.gz IIQAZBPDSWTIGA-SNVBAGLBSA-N 0 0 245.388 2.953 10 30 BFEERN CCc1c(OC(F)F)ccc(CC#N)c1OC ZINC000575658476 384396064 /nfs/dbraw/zinc/39/60/64/384396064.db2.gz UOHWQDINARCZPK-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN COc1c(C)cc(OC(F)F)cc1CC#N ZINC000575664752 384426714 /nfs/dbraw/zinc/42/67/14/384426714.db2.gz KNPLBRYHRBQVNZ-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN C=C=Nc1cc(C(=O)OC)ccc1Cl ZINC000014989352 384414256 /nfs/dbraw/zinc/41/42/56/384414256.db2.gz KOBPDKQEJYSXNN-UHFFFAOYSA-N 0 0 209.632 2.614 10 30 BFEERN Cc1ccc(F)c(OC(F)F)c1C#N ZINC000575661986 384417016 /nfs/dbraw/zinc/41/70/16/384417016.db2.gz YIEKBMWFGCQOAZ-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN CCOc1ccc(F)c(CC#N)c1OC(F)F ZINC000575658018 384389740 /nfs/dbraw/zinc/38/97/40/384389740.db2.gz ZXQRRSIPCNGTSN-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN Cc1c(CC#N)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575665965 384435696 /nfs/dbraw/zinc/43/56/96/384435696.db2.gz GDSSZUVWJFCBEX-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN N#CCc1cc(F)c(O)cc1C(F)F ZINC000575666886 384438627 /nfs/dbraw/zinc/43/86/27/384438627.db2.gz GBLSJZOYLWKRMM-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN C=C(C)CN(C)C(=O)[C@H](C)c1ccc(OC)cc1 ZINC000180462681 384467130 /nfs/dbraw/zinc/46/71/30/384467130.db2.gz JFJCCYJVIGKILF-GFCCVEGCSA-N 0 0 247.338 2.833 10 30 BFEERN Cc1cc(NC2CCSCC2)c(C#N)c(C)n1 ZINC000158080800 384510840 /nfs/dbraw/zinc/51/08/40/384510840.db2.gz ALRFUGUQCXGDNT-UHFFFAOYSA-N 0 0 247.367 2.878 10 30 BFEERN N#C[C@]1(NCc2ccccc2)CCCSC1 ZINC000061590372 384518905 /nfs/dbraw/zinc/51/89/05/384518905.db2.gz RDKNVFUANRLQCG-CYBMUJFWSA-N 0 0 232.352 2.566 10 30 BFEERN C=C(C)CN(C[C@H](O)CC)c1ccccc1 ZINC000103472829 384633628 /nfs/dbraw/zinc/63/36/28/384633628.db2.gz LZFBPFIJWZUTCX-CQSZACIVSA-N 0 0 219.328 2.840 10 30 BFEERN CCOc1ccccc1[C@H](C)NCCC#N ZINC000020199830 384596312 /nfs/dbraw/zinc/59/63/12/384596312.db2.gz RONRWKMKAMTCLK-NSHDSACASA-N 0 0 218.300 2.650 10 30 BFEERN Cc1cc(Br)c(CC#N)cc1F ZINC000575689533 384636085 /nfs/dbraw/zinc/63/60/85/384636085.db2.gz QTAGVKOCCQAXPK-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN Cc1c(Br)csc1C#N ZINC000140911749 384661340 /nfs/dbraw/zinc/66/13/40/384661340.db2.gz MVIGORNHBUACNU-UHFFFAOYSA-N 0 0 202.076 2.691 10 30 BFEERN CCOc1cc(CC#N)c(CC)cc1[N+](=O)[O-] ZINC000575697011 384679294 /nfs/dbraw/zinc/67/92/94/384679294.db2.gz QFOZSTWRBRWROH-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN Cc1cc(N[C@H]2CCc3ccccc32)cc(C#N)n1 ZINC000341479539 384679670 /nfs/dbraw/zinc/67/96/70/384679670.db2.gz YMWIPSHRTWNVEZ-INIZCTEOSA-N 0 0 249.317 2.783 10 30 BFEERN Cc1c(F)cccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000335053509 384779276 /nfs/dbraw/zinc/77/92/76/384779276.db2.gz XYVAKLFNAORQRB-ZWNOBZJWSA-N 0 0 246.285 2.556 10 30 BFEERN N#CCc1cc(Cl)cc(N)c1Cl ZINC000575716005 384869907 /nfs/dbraw/zinc/86/99/07/384869907.db2.gz DYSHJDDQBCXQKO-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN Cc1csc(CN(C)c2ccc(C#N)cc2)n1 ZINC000083774603 384880879 /nfs/dbraw/zinc/88/08/79/384880879.db2.gz NRYCYEBVTUQOMQ-UHFFFAOYSA-N 0 0 243.335 2.960 10 30 BFEERN CCc1cc(CC#N)c(N)cc1Br ZINC000575713840 384859010 /nfs/dbraw/zinc/85/90/10/384859010.db2.gz GNBCHGQZEDIJAL-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN N#CCc1c(N)ccc(Br)c1Cl ZINC000575714352 384863012 /nfs/dbraw/zinc/86/30/12/384863012.db2.gz MIRYCQZGKNGKOG-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN CC(=O)c1cc(C)c(OCCCCC#N)cc1O ZINC000013650527 384865905 /nfs/dbraw/zinc/86/59/05/384865905.db2.gz IXNKSDOXMRUVEE-UHFFFAOYSA-N 0 0 247.294 2.976 10 30 BFEERN CCc1cc(N)c(C(F)(F)F)c(CC#N)c1 ZINC000575719019 384890750 /nfs/dbraw/zinc/89/07/50/384890750.db2.gz UFTJQCJTOZEXEI-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN CC(C)c1csc([C@@H]2CCCN(CC#N)C2)n1 ZINC000127672368 384930627 /nfs/dbraw/zinc/93/06/27/384930627.db2.gz NVIKQHWUIUNKBA-LLVKDONJSA-N 0 0 249.383 2.969 10 30 BFEERN O/N=C/c1ccc(NCc2ccc(F)cc2)cn1 ZINC000029212813 385021350 /nfs/dbraw/zinc/02/13/50/385021350.db2.gz OYBPFGDTEAHMCW-RQZCQDPDSA-N 0 0 245.257 2.641 10 30 BFEERN C=CCOc1c(C=O)c(C)nn1-c1ccccc1 ZINC000005276855 384993202 /nfs/dbraw/zinc/99/32/02/384993202.db2.gz CCEPCZGXJWAIIN-UHFFFAOYSA-N 0 0 242.278 2.558 10 30 BFEERN CC(C)(C)C[C@@H]1CCCN1C(=O)NCCC#N ZINC000408367517 385042432 /nfs/dbraw/zinc/04/24/32/385042432.db2.gz WVKGQVBUNBIGFH-NSHDSACASA-N 0 0 237.347 2.510 10 30 BFEERN C#CCNCc1c(Cl)cccc1Cl ZINC000019875660 385154539 /nfs/dbraw/zinc/15/45/39/385154539.db2.gz DZGDFRNVMXPYHY-UHFFFAOYSA-N 0 0 214.095 2.716 10 30 BFEERN C[C@@H](NCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000020039571 385275029 /nfs/dbraw/zinc/27/50/29/385275029.db2.gz DCLPZPIMORHRTQ-ZGCIAEMCSA-N 0 0 218.344 2.704 10 30 BFEERN C[C@@H]1CCC[C@@H](CC(=O)N[C@H](C#N)C2CC2)C1 ZINC000408063478 385517150 /nfs/dbraw/zinc/51/71/50/385517150.db2.gz VNXPCFAPYMDOEH-NQBHXWOUSA-N 0 0 234.343 2.621 10 30 BFEERN N#Cc1nnc(-c2ccc(Cl)cc2)s1 ZINC000259521938 385545628 /nfs/dbraw/zinc/54/56/28/385545628.db2.gz DHUYXSAXKJQTJL-UHFFFAOYSA-N 0 0 221.672 2.730 10 30 BFEERN Cc1ccnc(NC(C)(C)COC(C)C)c1C#N ZINC000396497550 385566161 /nfs/dbraw/zinc/56/61/61/385566161.db2.gz UDEMCHPFXCRNOD-UHFFFAOYSA-N 0 0 247.342 2.877 10 30 BFEERN N#Cc1ccc(/C=C2/SCCC[S@@]2=O)cc1 ZINC000584623377 385610324 /nfs/dbraw/zinc/61/03/24/385610324.db2.gz LAHGKMOREWBYEX-LJEUOOAZSA-N 0 0 249.360 2.742 10 30 BFEERN C=CCOCc1nc2ccccc2s1 ZINC000038251957 385611636 /nfs/dbraw/zinc/61/16/36/385611636.db2.gz IHGBVMQUXNEGLL-UHFFFAOYSA-N 0 0 205.282 2.999 10 30 BFEERN CC[C@@H]1CCCC[C@H]1N(C)c1nccc(C#N)n1 ZINC000408459746 385727327 /nfs/dbraw/zinc/72/73/27/385727327.db2.gz ZJYXIFZFUFGWOO-DGCLKSJQSA-N 0 0 244.342 2.753 10 30 BFEERN O=C[C@H]1CC[C@@H](c2sccc2Cl)O1 ZINC000306817394 385806674 /nfs/dbraw/zinc/80/66/74/385806674.db2.gz DMHLACUXTNLHLC-SVRRBLITSA-N 0 0 216.689 2.821 10 30 BFEERN CC[C@@H](C#N)C(=O)NC1CCC(CC)CC1 ZINC000044825058 386163954 /nfs/dbraw/zinc/16/39/54/386163954.db2.gz AYAGZDADSKDLHS-CXQJBGSLSA-N 0 0 222.332 2.621 10 30 BFEERN C/C=C/C(=O)c1ccc(Br)o1 ZINC000575579335 386216739 /nfs/dbraw/zinc/21/67/39/386216739.db2.gz LIVCKQNOLDDWCP-NSCUHMNNSA-N 0 0 215.046 2.801 10 30 BFEERN Oc1ccc(C=Nc2ccc(F)cc2)c(O)c1 ZINC000263629583 386309975 /nfs/dbraw/zinc/30/99/75/386309975.db2.gz BUAFEGWQPALQRE-UHFFFAOYSA-N 0 0 231.226 2.988 10 30 BFEERN C=C[C@H](C)Nc1ncc(Br)c(C)n1 ZINC000306895961 386527079 /nfs/dbraw/zinc/52/70/79/386527079.db2.gz OJGDOXNWHSGZDC-LURJTMIESA-N 0 0 242.120 2.534 10 30 BFEERN C=C[C@@H](C)Nc1ncc(Br)c(C)n1 ZINC000306895962 386528312 /nfs/dbraw/zinc/52/83/12/386528312.db2.gz OJGDOXNWHSGZDC-ZCFIWIBFSA-N 0 0 242.120 2.534 10 30 BFEERN CCc1noc(C)c1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000328874280 386637407 /nfs/dbraw/zinc/63/74/07/386637407.db2.gz ZCZXKHWEXRDZEX-MWLCHTKSSA-N 0 0 249.314 2.575 10 30 BFEERN COC(=O)Cc1c(C#N)c(C)ccc1C(F)F ZINC000575343745 386691024 /nfs/dbraw/zinc/69/10/24/386691024.db2.gz FFYSICVOQNNOGY-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN COC(=O)Cc1cc(C#N)cc(C)c1C(F)F ZINC000575344163 386691210 /nfs/dbraw/zinc/69/12/10/386691210.db2.gz RXOLXBUBWFVSAY-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN CCOC(=O)c1c(C)ccc(C#N)c1C(F)F ZINC000575343665 386691444 /nfs/dbraw/zinc/69/14/44/386691444.db2.gz YHEJJUXECLMECK-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)c1cc(C#N)cc(C(F)(F)F)c1F ZINC000575345067 386712301 /nfs/dbraw/zinc/71/23/01/386712301.db2.gz UNORKDMIYZZKQA-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN N#CCc1cccc(OC(F)(F)F)c1[N+](=O)[O-] ZINC000575345707 386716008 /nfs/dbraw/zinc/71/60/08/386716008.db2.gz QZCGUZXHMRPAHN-UHFFFAOYSA-N 0 0 246.144 2.559 10 30 BFEERN CSC[C@H](C)N(C)c1cccc(F)c1C#N ZINC000122464615 386754999 /nfs/dbraw/zinc/75/49/99/386754999.db2.gz RAWOPVICWHUDHI-VIFPVBQESA-N 0 0 238.331 2.885 10 30 BFEERN COC(=O)c1ccc(C(=O)C=C(C)C)c(C)c1 ZINC000575362508 386771156 /nfs/dbraw/zinc/77/11/56/386771156.db2.gz RVAXCNZKQCCTMS-UHFFFAOYSA-N 0 0 232.279 2.931 10 30 BFEERN CCOC(=O)Cc1c(CC)ccc(CC)c1C#N ZINC000575385225 386943987 /nfs/dbraw/zinc/94/39/87/386943987.db2.gz DTBLUZFGQRQIPU-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)Cc1cc(C#N)cc(CC)c1CC ZINC000575385405 386945201 /nfs/dbraw/zinc/94/52/01/386945201.db2.gz ONQMRRSCOOFMLU-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)c1cc(CC)cc(CC)c1C#N ZINC000575385577 386946082 /nfs/dbraw/zinc/94/60/82/386946082.db2.gz HSQSQEQFPIFOCZ-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCc1cc(C(=O)OC)c(C(F)F)cc1C#N ZINC000575389366 386952899 /nfs/dbraw/zinc/95/28/99/386952899.db2.gz CDKIOBYIRXNGIH-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCc1cc(C(F)F)cc(C(=O)OC)c1C#N ZINC000575389435 386953111 /nfs/dbraw/zinc/95/31/11/386953111.db2.gz HZOCTRJVSKBJHP-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)Cc1cc(C#N)c(C)cc1CC ZINC000575389039 386953264 /nfs/dbraw/zinc/95/32/64/386953264.db2.gz SHPSPLBQIOFFHW-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOC(=O)Cc1cc(C#N)cc(C)c1CC ZINC000575389120 386953269 /nfs/dbraw/zinc/95/32/69/386953269.db2.gz ZDDOJYAZWKDRCQ-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1c(C(F)F)ccc(C#N)c1C(=O)OC ZINC000575389706 386954110 /nfs/dbraw/zinc/95/41/10/386954110.db2.gz KYSXUMNYQYAEEM-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCc1ccc(C#N)c(C(=O)OC)c1C(F)F ZINC000575389728 386955337 /nfs/dbraw/zinc/95/53/37/386955337.db2.gz NIKMOWJETCXCKV-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)Cc1cc(C)c(CC)c(C#N)c1 ZINC000575388774 386951017 /nfs/dbraw/zinc/95/10/17/386951017.db2.gz DXAPALROARAOGT-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1cc(OC(F)F)c(C#N)c([N+](=O)[O-])c1 ZINC000575657864 387035800 /nfs/dbraw/zinc/03/58/00/387035800.db2.gz BDALVWCUPDKEPY-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN CCc1c(CC#N)ccc(OC(F)F)c1OC ZINC000575655977 387037886 /nfs/dbraw/zinc/03/78/86/387037886.db2.gz CIQGYUCEZDUFLJ-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1cc(C#N)c(F)c(OC(F)F)c1 ZINC000575654711 387037959 /nfs/dbraw/zinc/03/79/59/387037959.db2.gz DMRPMBWYEGIKAC-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1cc(F)c(C#N)cc1OC(F)F ZINC000575655113 387038067 /nfs/dbraw/zinc/03/80/67/387038067.db2.gz HYDBGGRFIACLJU-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1cc(F)c(CC#N)cc1OC(F)F ZINC000575655918 387040910 /nfs/dbraw/zinc/04/09/10/387040910.db2.gz JVLABEBZJYVOON-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCc1cc(OC(F)F)c(O)cc1CC#N ZINC000575656766 387041723 /nfs/dbraw/zinc/04/17/23/387041723.db2.gz VAQXSABXSPTOAI-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCOc1cc(OC(F)F)cc(F)c1C#N ZINC000575656632 387042264 /nfs/dbraw/zinc/04/22/64/387042264.db2.gz RHJSFBPNZJHLST-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1cc(C)c(OC(F)F)c(C#N)c1 ZINC000575659155 387049764 /nfs/dbraw/zinc/04/97/64/387049764.db2.gz ZNYAXEGIQKCYSW-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN Cc1ccc(C#N)c(OC(F)F)c1F ZINC000575660964 387050687 /nfs/dbraw/zinc/05/06/87/387050687.db2.gz FJEIAAVNZUZAIX-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN COc1ccc(F)c(CC#N)c1OC(F)F ZINC000575660656 387051587 /nfs/dbraw/zinc/05/15/87/387051587.db2.gz WJWANNQDNWZQPB-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN COc1cc(OC(F)F)c(F)cc1CC#N ZINC000575659894 387052987 /nfs/dbraw/zinc/05/29/87/387052987.db2.gz LBXHZXUTQMIMEP-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN Cc1cc(OC(F)F)cc(CC#N)c1F ZINC000575661148 387064149 /nfs/dbraw/zinc/06/41/49/387064149.db2.gz KERISAUVVUQELI-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN CCS(=O)(CC)=Nc1cccc(C#N)c1 ZINC000536950792 387162469 /nfs/dbraw/zinc/16/24/69/387162469.db2.gz JXWGZVQLKBOYFX-UHFFFAOYSA-N 0 0 222.313 2.698 10 30 BFEERN COc1c(C)ccc(CC#N)c1OC(F)F ZINC000575664940 387310901 /nfs/dbraw/zinc/31/09/01/387310901.db2.gz MFOIGLBXIFXKHH-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN Cc1c(CC#N)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575665413 387313476 /nfs/dbraw/zinc/31/34/76/387313476.db2.gz DDWUGMKBWIOUON-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN COc1cc(OC(F)F)c(C)cc1CC#N ZINC000575665623 387315077 /nfs/dbraw/zinc/31/50/77/387315077.db2.gz RPZHZWZVBASNQJ-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN CC[C@](C)(CCO)Nc1cccc(F)c1C#N ZINC000230216244 387264791 /nfs/dbraw/zinc/26/47/91/387264791.db2.gz ZWJFCEGQUIACDI-CYBMUJFWSA-N 0 0 236.290 2.660 10 30 BFEERN COc1cc(CC#N)c(C)cc1OC(F)F ZINC000575664128 387290868 /nfs/dbraw/zinc/29/08/68/387290868.db2.gz CIGTUBNCGRZAAO-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN N#C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)CC[C@@H]12 ZINC000575601971 387368856 /nfs/dbraw/zinc/36/88/56/387368856.db2.gz JKHDXWYOLGBYAJ-LURQLKTLSA-N 0 0 219.206 2.504 10 30 BFEERN COc1cc(CC#N)c(Br)cc1F ZINC000575689005 387376016 /nfs/dbraw/zinc/37/60/16/387376016.db2.gz DZHLIATZIDTLJR-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN COc1c(CC#N)ccc(C)c1OC(F)F ZINC000575666732 387319580 /nfs/dbraw/zinc/31/95/80/387319580.db2.gz ZOHXRCWAZLSGTQ-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN Cc1c(OC(F)F)ccc([N+](=O)[O-])c1CC#N ZINC000575667521 387321345 /nfs/dbraw/zinc/32/13/45/387321345.db2.gz OINIRUNTPFBPPP-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN Cc1cc(OC(F)F)cc([N+](=O)[O-])c1CC#N ZINC000575668004 387323229 /nfs/dbraw/zinc/32/32/29/387323229.db2.gz PRZBZRGTSWRKKN-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN N#CCc1cc(F)c(O)c(C(F)F)c1 ZINC000575667743 387323905 /nfs/dbraw/zinc/32/39/05/387323905.db2.gz LXBIECGELBQARR-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN CCOc1cc(O)c(CC#N)cc1C(F)F ZINC000575667629 387324074 /nfs/dbraw/zinc/32/40/74/387324074.db2.gz SNYBLAHNSOPWFV-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN N#Cc1ccc(C(F)F)c(F)c1[N+](=O)[O-] ZINC000575669625 387328687 /nfs/dbraw/zinc/32/86/87/387328687.db2.gz GNUTYRXNMMQUGI-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN N#Cc1cc(F)c([N+](=O)[O-])cc1C(F)F ZINC000575669869 387331504 /nfs/dbraw/zinc/33/15/04/387331504.db2.gz QXAKEPUYDWOUOA-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN COc1cc(C(F)(F)F)c(OC)cc1C#N ZINC000575670811 387336447 /nfs/dbraw/zinc/33/64/47/387336447.db2.gz BINQWLHKLZPJBQ-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN CCOc1cc(F)c(OC(F)(F)F)cc1C#N ZINC000575671001 387336587 /nfs/dbraw/zinc/33/65/87/387336587.db2.gz RPBSOVKKVMGDPB-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN Cc1cc([N+](=O)[O-])cc(C(F)F)c1C#N ZINC000575671751 387337573 /nfs/dbraw/zinc/33/75/73/387337573.db2.gz MEKVSHAESMUVBH-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN CCOc1cc(F)c(C#N)c(OC(F)(F)F)c1 ZINC000575671361 387337973 /nfs/dbraw/zinc/33/79/73/387337973.db2.gz WYCIHBPVJDSIAW-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN CCc1cc(C(F)(F)F)c(C#N)cc1O ZINC000575672813 387339602 /nfs/dbraw/zinc/33/96/02/387339602.db2.gz OUCAOWLVLMZJOA-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN CCc1ccc(C#N)c(C(F)(F)F)c1O ZINC000575672985 387339899 /nfs/dbraw/zinc/33/98/99/387339899.db2.gz WPCHYJQINIWWCM-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN N#CCc1c(O)ccc(Cl)c1Br ZINC000575674523 387343264 /nfs/dbraw/zinc/34/32/64/387343264.db2.gz BMANMNDLHGYVAM-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN O=C(/C=C/Cl)c1cncc(Br)c1 ZINC000575500854 387348039 /nfs/dbraw/zinc/34/80/39/387348039.db2.gz HUYKYQXDCDSWDJ-OWOJBTEDSA-N 0 0 246.491 2.779 10 30 BFEERN CCc1cc(N)c(CC#N)cc1C(F)(F)F ZINC000575719268 387426068 /nfs/dbraw/zinc/42/60/68/387426068.db2.gz ZCCBPEQPNVOOLU-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN Cc1cc(CC#N)c(N)cc1C(F)(F)F ZINC000575719374 387427022 /nfs/dbraw/zinc/42/70/22/387427022.db2.gz BTQIOOQQPYYSAR-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN N#CCc1cc(N)c(Cl)c(Br)c1 ZINC000575715021 387429464 /nfs/dbraw/zinc/42/94/64/387429464.db2.gz XNEUFJBIIPXSHB-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN N#CCc1ccc(N)c(Cl)c1Cl ZINC000575715972 387430089 /nfs/dbraw/zinc/43/00/89/387430089.db2.gz BOUMHCKXVBQIIZ-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN N#CCc1c(N)ccc(Cl)c1Cl ZINC000575716312 387431763 /nfs/dbraw/zinc/43/17/63/387431763.db2.gz QLUGMIZKZDMAQT-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN N#C[C@]1(NCc2ccccc2)CCCSCC1 ZINC000575517759 387434347 /nfs/dbraw/zinc/43/43/47/387434347.db2.gz ITSVKHSNUJAGAL-AWEZNQCLSA-N 0 0 246.379 2.956 10 30 BFEERN Cc1c(N)c(C(F)(F)F)ccc1CC#N ZINC000575719870 387439117 /nfs/dbraw/zinc/43/91/17/387439117.db2.gz NEZZGYKBPIZOAD-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN O=C(C1=COCC1)c1occc1Br ZINC000575508688 387392080 /nfs/dbraw/zinc/39/20/80/387392080.db2.gz RUXLAXYQSGHALD-UHFFFAOYSA-N 0 0 243.056 2.529 10 30 BFEERN CCOc1cc(F)c(CC#N)cc1CC ZINC000575696173 387396107 /nfs/dbraw/zinc/39/61/07/387396107.db2.gz LMCSNLJCWBMHGZ-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN CCOc1cc([N+](=O)[O-])c(CC)cc1CC#N ZINC000575695519 387396226 /nfs/dbraw/zinc/39/62/26/387396226.db2.gz JRCLSUVFDQECMK-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN N#CCc1c(Cl)ccc(N)c1Br ZINC000575713819 387408299 /nfs/dbraw/zinc/40/82/99/387408299.db2.gz FEMDVYGEAKZSBB-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN N#CCc1cc(N)c(Cl)cc1OC(F)F ZINC000575714453 387411158 /nfs/dbraw/zinc/41/11/58/387411158.db2.gz IOYSFVFQOKGZTJ-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN COc1ccc(CC#N)c(F)c1OC(F)(F)F ZINC000575707605 387412231 /nfs/dbraw/zinc/41/22/31/387412231.db2.gz CMNMJZOEXGSYSQ-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN N#CCc1c(N)ccc(Cl)c1OC(F)F ZINC000575714567 387415701 /nfs/dbraw/zinc/41/57/01/387415701.db2.gz LKBKFOUDWQDTPB-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN N#CCc1ccc(OC(F)F)c(Cl)c1N ZINC000575714184 387418090 /nfs/dbraw/zinc/41/80/90/387418090.db2.gz DFHDUSFQYWMOIT-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN O=C(/C=C/Cl)c1coc(Br)c1 ZINC000575517592 387420746 /nfs/dbraw/zinc/42/07/46/387420746.db2.gz QDQFXAQNVCUSNZ-OWOJBTEDSA-N 0 0 235.464 2.977 10 30 BFEERN CCc1cc(OC(F)F)c(C#N)cc1CC#N ZINC000575640177 387838218 /nfs/dbraw/zinc/83/82/18/387838218.db2.gz LPSMXHIXOKDJOF-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN Cc1cc(CC#N)c(C#N)cc1OC(F)F ZINC000575640552 387839803 /nfs/dbraw/zinc/83/98/03/387839803.db2.gz JFBMNROXSIFTFV-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CCOc1cc(C(F)F)cc(C#N)c1CC#N ZINC000575640632 387839948 /nfs/dbraw/zinc/83/99/48/387839948.db2.gz HUZGAEURPKPCFT-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN Cc1cc(C#N)c(CC#N)cc1OC(F)F ZINC000575641643 387842185 /nfs/dbraw/zinc/84/21/85/387842185.db2.gz RWNBMBRHSLKBAZ-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CCOc1cc(C(F)F)c(C#N)cc1CC#N ZINC000575642247 387845980 /nfs/dbraw/zinc/84/59/80/387845980.db2.gz WOUQLWKUOCFASD-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN Cc1ccc(F)c(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061888487 387846872 /nfs/dbraw/zinc/84/68/72/387846872.db2.gz IDOCVODTXSTYSR-ZWNOBZJWSA-N 0 0 246.285 2.556 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1 ZINC000061888633 387848688 /nfs/dbraw/zinc/84/86/88/387848688.db2.gz HRCCTXDPPQYUDT-CMPLNLGQSA-N 0 0 248.713 2.762 10 30 BFEERN CCOc1cc(CC#N)cc(CC)c1C#N ZINC000575644014 387870673 /nfs/dbraw/zinc/87/06/73/387870673.db2.gz USYPTALCAVIOOI-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN N#Cc1nc2cc(OC(F)F)ccc2s1 ZINC000238535336 387872692 /nfs/dbraw/zinc/87/26/92/387872692.db2.gz DZGQWTILSHJIQV-UHFFFAOYSA-N 0 0 226.207 2.769 10 30 BFEERN COc1cc(CC#N)cc(C(F)(F)F)c1C#N ZINC000575650392 387891748 /nfs/dbraw/zinc/89/17/48/387891748.db2.gz WTVQYHPOQSACDC-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN Cc1cc(CC#N)c(C#N)c(C(F)(F)F)c1 ZINC000575648214 387892531 /nfs/dbraw/zinc/89/25/31/387892531.db2.gz OGPYETJQLJBOEC-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN Cc1cc(C#N)c(CC#N)c(C(F)(F)F)c1 ZINC000575648368 387892769 /nfs/dbraw/zinc/89/27/69/387892769.db2.gz POJFDBFOLYNIJO-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN CCc1cc(C#N)c([N+](=O)[O-])cc1CC ZINC000575652774 387892906 /nfs/dbraw/zinc/89/29/06/387892906.db2.gz ZLOBHQIWSXFSHD-UHFFFAOYSA-N 0 0 204.229 2.591 10 30 BFEERN CCc1cc(C#N)c(F)cc1OC(F)F ZINC000575653233 387894251 /nfs/dbraw/zinc/89/42/51/387894251.db2.gz BXPUTQJKOSXAPE-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN Cc1cc(CC#N)cc(C)c1OC(F)F ZINC000575654087 387897179 /nfs/dbraw/zinc/89/71/79/387897179.db2.gz KVSJVEVINSXBSB-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN Cc1cc(OC(F)F)cc(CC#N)c1C ZINC000575654228 387897260 /nfs/dbraw/zinc/89/72/60/387897260.db2.gz MSRDNXYQOOYSCQ-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN C=CCCCC(=O)N[C@@H]1COc2ccccc21 ZINC000175473240 387908228 /nfs/dbraw/zinc/90/82/28/387908228.db2.gz LKLZMGZWVVCEFH-GFCCVEGCSA-N 0 0 231.295 2.593 10 30 BFEERN O=C(c1ccoc1Br)C1=COCC1 ZINC000307199591 388389589 /nfs/dbraw/zinc/38/95/89/388389589.db2.gz XZIAIPYLQIKYKD-UHFFFAOYSA-N 0 0 243.056 2.529 10 30 BFEERN CCOC(=O)c1c(CC)ccc(CC)c1C#N ZINC000575385564 388457603 /nfs/dbraw/zinc/45/76/03/388457603.db2.gz BNKZQLMTIRLGAZ-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)Cc1ccc(CC)c(C)c1C#N ZINC000575389104 388476816 /nfs/dbraw/zinc/47/68/16/388476816.db2.gz XXUAITSCXHRURA-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1cc(C#N)cc(C(=O)OC)c1C(F)F ZINC000575389358 388485051 /nfs/dbraw/zinc/48/50/51/388485051.db2.gz BNNRCZLZDXKQLI-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN C[C@@H](Nc1ccc(C#N)nc1)c1cncc(F)c1 ZINC000357441409 388614814 /nfs/dbraw/zinc/61/48/14/388614814.db2.gz NISVMNYYPZGZGQ-SECBINFHSA-N 0 0 242.257 2.660 10 30 BFEERN CN(C)c1ccc(OC(F)(F)F)cc1CC#N ZINC000575396973 388615769 /nfs/dbraw/zinc/61/57/69/388615769.db2.gz HTWBQEPWPXDASU-UHFFFAOYSA-N 0 0 244.216 2.717 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1ccc(C)c(C#N)n1 ZINC000302672115 388624704 /nfs/dbraw/zinc/62/47/04/388624704.db2.gz RXLOUEDLCGILCN-QWRGUYRKSA-N 0 0 215.300 2.862 10 30 BFEERN C[C@H]1CCC[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000230055046 388631864 /nfs/dbraw/zinc/63/18/64/388631864.db2.gz SUWUCYHOIWIRQG-SMDDNHRTSA-N 0 0 242.322 2.611 10 30 BFEERN Cc1nc([C@@H](C)Nc2ccc(C#N)nc2)cs1 ZINC000426896717 388713705 /nfs/dbraw/zinc/71/37/05/388713705.db2.gz MVTDQFJHYNRMHI-MRVPVSSYSA-N 0 0 244.323 2.891 10 30 BFEERN N#Cc1cnc2c(ccn2Cc2ccccc2)c1 ZINC000095937270 388791682 /nfs/dbraw/zinc/79/16/82/388791682.db2.gz MSPNDYOLEFDGQV-UHFFFAOYSA-N 0 0 233.274 2.956 10 30 BFEERN O=C(/C=C\c1ccncc1)c1ccc(O)cc1 ZINC000096458941 388819606 /nfs/dbraw/zinc/81/96/06/388819606.db2.gz BNQUTIKQLLGYQB-BHQIHCQQSA-N 0 0 225.247 2.683 10 30 BFEERN Cc1cc(NC[C@@H]2CCCS2)c(C#N)c(C)n1 ZINC000157463286 388835132 /nfs/dbraw/zinc/83/51/32/388835132.db2.gz ULIUYPZBKYMGPI-NSHDSACASA-N 0 0 247.367 2.878 10 30 BFEERN COC(=O)Cc1c(C)cc(C(F)F)cc1C#N ZINC000575344188 388841382 /nfs/dbraw/zinc/84/13/82/388841382.db2.gz UEKJZJXFTGTCAL-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN C[C@H](NC(=O)CC#N)c1ccc2ccccc2c1 ZINC000153482987 388979277 /nfs/dbraw/zinc/97/92/77/388979277.db2.gz HPQVMMIDFFRHFT-NSHDSACASA-N 0 0 238.290 2.931 10 30 BFEERN CC[C@@H](C)[C@H]1CCCCN1c1nccc(C#N)n1 ZINC000295120063 132220545 /nfs/dbraw/zinc/22/05/45/132220545.db2.gz WQISDYDBIVVDEC-DGCLKSJQSA-N 0 0 244.342 2.753 10 30 BFEERN CC[C@H](C)[C@H]1CCCCN1c1nccc(C#N)n1 ZINC000295120064 132220720 /nfs/dbraw/zinc/22/07/20/132220720.db2.gz WQISDYDBIVVDEC-WCQYABFASA-N 0 0 244.342 2.753 10 30 BFEERN C[C@@H]1CCCCN1c1ccccc1C#N ZINC000020075953 132329672 /nfs/dbraw/zinc/32/96/72/132329672.db2.gz AYSKQVDTHUPIJQ-LLVKDONJSA-N 0 0 200.285 2.937 10 30 BFEERN CC[C@@H]1CCCN(c2ccc(C#N)cc2N)C1 ZINC000036168964 132340268 /nfs/dbraw/zinc/34/02/68/132340268.db2.gz JMDMIZMHGJWHGW-LLVKDONJSA-N 0 0 229.327 2.767 10 30 BFEERN Cc1ccc2c(c1)CCCN2CC(C)(C)C=O ZINC000051175937 132359815 /nfs/dbraw/zinc/35/98/15/132359815.db2.gz XHHBMQWMJFALRV-UHFFFAOYSA-N 0 0 231.339 2.973 10 30 BFEERN N#Cc1cc(Cl)ccc1N1CCC(C=O)CC1 ZINC000054268416 132363770 /nfs/dbraw/zinc/36/37/70/132363770.db2.gz CACZLYDKDANXQR-UHFFFAOYSA-N 0 0 248.713 2.627 10 30 BFEERN N#CCNc1ccc(N2CCCCC2)cc1 ZINC000057497473 132365820 /nfs/dbraw/zinc/36/58/20/132365820.db2.gz XUGIHTLRCBSPNP-UHFFFAOYSA-N 0 0 215.300 2.612 10 30 BFEERN C[C@H]1CN(C(C)(C)C#N)Cc2ccccc2O1 ZINC000335890119 133951470 /nfs/dbraw/zinc/95/14/70/133951470.db2.gz MABRDWVXRYDUMH-NSHDSACASA-N 0 0 230.311 2.572 10 30 BFEERN Cc1ccc2c(c1)CCN(C(C)(C)C#N)C2 ZINC000336309844 134142906 /nfs/dbraw/zinc/14/29/06/134142906.db2.gz NRTXPTYSGWBSMA-UHFFFAOYSA-N 0 0 214.312 2.655 10 30 BFEERN COc1ccc([C@@H]2C[C@H](C)N([C@@H](C)C#N)C2)cc1 ZINC000181898239 134339922 /nfs/dbraw/zinc/33/99/22/134339922.db2.gz KUKXCWNZTDEJIK-SGMGOOAPSA-N 0 0 244.338 2.785 10 30 BFEERN N#C[C@H]1CCC[C@H]1Nc1ncnc2ccsc21 ZINC000408103380 134392422 /nfs/dbraw/zinc/39/24/22/134392422.db2.gz AIZXYDSNZYMZNM-RKDXNWHRSA-N 0 0 244.323 2.795 10 30 BFEERN C[C@H]1CCC[C@@H]1C(=O)Nc1ccccc1C#N ZINC000230042360 134479356 /nfs/dbraw/zinc/47/93/56/134479356.db2.gz PWKUMRDOIWARRR-JQWIXIFHSA-N 0 0 228.295 2.933 10 30 BFEERN Cc1cnc([C@H](C)NCc2cc(C#N)cs2)o1 ZINC000231526933 134541043 /nfs/dbraw/zinc/54/10/43/134541043.db2.gz GNNZBYBLZGRGFP-VIFPVBQESA-N 0 0 247.323 2.767 10 30 BFEERN Cc1ccc([C@H]2CCCCN2CC#N)o1 ZINC000124612920 134674923 /nfs/dbraw/zinc/67/49/23/134674923.db2.gz BWCXRYJITAVLIP-LLVKDONJSA-N 0 0 204.273 2.639 10 30 BFEERN C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000163845256 135209018 /nfs/dbraw/zinc/20/90/18/135209018.db2.gz NXJKQTPTOWSAPB-BNOWGMLFSA-N 0 0 248.370 2.963 10 30 BFEERN C=C(C)[C@H](O)c1cc(N)ccc1Br ZINC000575465727 397949768 /nfs/dbraw/zinc/94/97/68/397949768.db2.gz TUGQINDWQGYSIQ-JTQLQIEISA-N 0 0 242.116 2.641 10 30 BFEERN C=CC[C@H]1CC[C@@](CC)(CC(=O)OC)C(=O)C1 ZINC000196343615 397956521 /nfs/dbraw/zinc/95/65/21/397956521.db2.gz RUSVLIXCJGZFAJ-FZMZJTMJSA-N 0 0 238.327 2.891 10 30 BFEERN C=CCNc1ccc(Br)c(C#N)c1 ZINC000575478466 397957903 /nfs/dbraw/zinc/95/79/03/397957903.db2.gz AFESALUEUASHEZ-UHFFFAOYSA-N 0 0 237.100 2.919 10 30 BFEERN Cc1c(CC#N)cc(C#N)cc1C(F)(F)F ZINC000575645339 398044518 /nfs/dbraw/zinc/04/45/18/398044518.db2.gz FGVIMGSMXGECQP-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN C#C[C@H](NC(=O)[C@H]1CCC[C@@H]1C)C(C)(C)C ZINC000491307022 398038495 /nfs/dbraw/zinc/03/84/95/398038495.db2.gz OMCPPQFXLLYCLD-SRVKXCTJSA-N 0 0 221.344 2.587 10 30 BFEERN C#C[C@H](NC(=O)[C@@H]1CCC[C@@H]1C)C(C)(C)C ZINC000491307023 398038845 /nfs/dbraw/zinc/03/88/45/398038845.db2.gz OMCPPQFXLLYCLD-TUAOUCFPSA-N 0 0 221.344 2.587 10 30 BFEERN C=C[C@@](CO)(c1ccc(OC)cc1)C(F)(F)F ZINC000584623323 398078962 /nfs/dbraw/zinc/07/89/62/398078962.db2.gz HASOQIBZYIOUAA-LLVKDONJSA-N 0 0 246.228 2.674 10 30 BFEERN CCOC(=O)[C@@H]1C(C)=C(CC)C(=O)C[C@@H]1C ZINC000584624790 398079457 /nfs/dbraw/zinc/07/94/57/398079457.db2.gz WMQYZBLUMOGYDU-UFBFGSQYSA-N 0 0 224.300 2.501 10 30 BFEERN CC(C)CCOc1ccc(/C=C/C(=O)NO)cc1 ZINC000584627440 398080096 /nfs/dbraw/zinc/08/00/96/398080096.db2.gz SXGIDCGAOBAZJS-VMPITWQZSA-N 0 0 249.310 2.630 10 30 BFEERN Cc1cc(F)ccc1CN[C@H]1CCC[C@@H]1C#N ZINC000061892567 398107616 /nfs/dbraw/zinc/10/76/16/398107616.db2.gz LYZDCPLCVPPSPX-RISCZKNCSA-N 0 0 232.302 2.916 10 30 BFEERN CCc1ccc(CN[C@H]2CCC[C@@H]2C#N)o1 ZINC000061892559 398108087 /nfs/dbraw/zinc/10/80/87/398108087.db2.gz NBLWZYVCPJJTSB-MFKMUULPSA-N 0 0 218.300 2.624 10 30 BFEERN CC(C)N[C@@H](C#N)c1c(F)cccc1F ZINC000036924718 167130905 /nfs/dbraw/zinc/13/09/05/167130905.db2.gz VKCDFCXPAYQZHU-JTQLQIEISA-N 0 0 210.227 2.527 10 30 BFEERN CC(C)N[C@@]1(C#N)CCSc2ccccc21 ZINC000034973856 167136383 /nfs/dbraw/zinc/13/63/83/167136383.db2.gz ZIUAYZYSJBDVLL-CYBMUJFWSA-N 0 0 232.352 2.899 10 30 BFEERN C[C@H]1CCCC[C@@]1(C#N)N1CCCCC1 ZINC000037356934 409737337 /nfs/dbraw/zinc/73/73/37/409737337.db2.gz OUTNLMFUYNJVEQ-STQMWFEESA-N 0 0 206.333 2.945 10 30 BFEERN C=CCN(CC=C)C(=O)c1ccccc1NCC ZINC000062819235 166331677 /nfs/dbraw/zinc/33/16/77/166331677.db2.gz SRYRBRVMSYLTIN-UHFFFAOYSA-N 0 0 244.338 2.933 10 30 BFEERN C=CCNC(=O)/C(C)=C(/C)c1ccc(OC)cc1 ZINC000033649672 166360915 /nfs/dbraw/zinc/36/09/15/166360915.db2.gz ACGWJTQJPVCLTG-QXMHVHEDSA-N 0 0 245.322 2.791 10 30 BFEERN C=CC[NH2+][C@@H](C(=O)[O-])c1c(C)cc(C)cc1C ZINC000051960570 166403288 /nfs/dbraw/zinc/40/32/88/166403288.db2.gz IIPSDRORAGIOFH-CYBMUJFWSA-N 0 0 233.311 2.513 10 30 BFEERN C#CCNc1ncc(Br)cc1Cl ZINC000236050780 410568412 /nfs/dbraw/zinc/56/84/12/410568412.db2.gz DEBPUBYXFKRIKF-UHFFFAOYSA-N 0 0 245.507 2.543 10 30 BFEERN CC(=O)c1ccc2ccccc2c1OCC#N ZINC000035099844 166470749 /nfs/dbraw/zinc/47/07/49/166470749.db2.gz OYSOPODAZHATMO-UHFFFAOYSA-N 0 0 225.247 2.945 10 30 BFEERN CC(C)CCNc1ccc(C#N)c(C#N)c1 ZINC000078923012 166867883 /nfs/dbraw/zinc/86/78/83/166867883.db2.gz NUEJVZLMLDLQTG-UHFFFAOYSA-N 0 0 213.284 2.888 10 30 BFEERN CC(C)CCOCc1ccc(C#CCCO)cc1 ZINC000049620646 166876773 /nfs/dbraw/zinc/87/67/73/166876773.db2.gz TYWYHSLLXOBXQW-UHFFFAOYSA-N 0 0 246.350 2.983 10 30 BFEERN CC(C)N[C@@H](C#N)c1cc(F)ccc1F ZINC000037233661 167130710 /nfs/dbraw/zinc/13/07/10/167130710.db2.gz MKGSORZRKJOJSG-NSHDSACASA-N 0 0 210.227 2.527 10 30 BFEERN CC(C)N[C@@]1(C#N)CCCc2sccc21 ZINC000061329611 167136704 /nfs/dbraw/zinc/13/67/04/167136704.db2.gz DFBYLAZOPFNUBX-GFCCVEGCSA-N 0 0 220.341 2.801 10 30 BFEERN CC(C)Oc1ccc([C@H](C#N)CC#N)cc1 ZINC000002750044 167301534 /nfs/dbraw/zinc/30/15/34/167301534.db2.gz JLIZGPDMDLCPIS-LBPRGKRZSA-N 0 0 214.268 2.995 10 30 BFEERN CC(C)Oc1cccc(OC2CC2)c1C#N ZINC000095721150 167306907 /nfs/dbraw/zinc/30/69/07/167306907.db2.gz DTEOKYGHNXPIII-UHFFFAOYSA-N 0 0 217.268 2.887 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)N[C@@H](C)c1cccs1 ZINC000044822928 167340466 /nfs/dbraw/zinc/34/04/66/167340466.db2.gz MDHBVHSZANURRA-VHSXEESVSA-N 0 0 236.340 2.721 10 30 BFEERN CC(C)[C@@H](C)NC(=O)C1(C#N)CCCCC1 ZINC000044385469 167370037 /nfs/dbraw/zinc/37/00/37/167370037.db2.gz GKMVMWBBXLVIDF-LLVKDONJSA-N 0 0 222.332 2.621 10 30 BFEERN CCN(CC)[C@@H](C#N)c1ccccc1C ZINC000019934088 169794939 /nfs/dbraw/zinc/79/49/39/169794939.db2.gz YXRKOSKXVBBNDL-ZDUSSCGKSA-N 0 0 202.301 2.902 10 30 BFEERN CCN(CC)[C@@H](C#N)c1cccc(OC)c1OC ZINC000019934981 169795331 /nfs/dbraw/zinc/79/53/31/169795331.db2.gz ZYBQTYQZYRFXMV-LBPRGKRZSA-N 0 0 248.326 2.610 10 30 BFEERN C=C[C@H](C(=O)[O-])[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656760552 411345253 /nfs/dbraw/zinc/34/52/53/411345253.db2.gz DIZAAFZLMQHAMX-CHWSQXEVSA-N 0 0 237.343 2.528 10 30 BFEERN CCC(=O)O[C@H](C#N)c1cccc(C)c1 ZINC000106881100 168250448 /nfs/dbraw/zinc/25/04/48/168250448.db2.gz MRALCGROAWRBLS-LLVKDONJSA-N 0 0 203.241 2.513 10 30 BFEERN CCC(C#N)(CC)NC(=O)c1cc(F)ccc1C ZINC000062665656 168260164 /nfs/dbraw/zinc/26/01/64/168260164.db2.gz RITUNHAWUHCWIC-UHFFFAOYSA-N 0 0 248.301 2.946 10 30 BFEERN CCN(C[C@H](C)C#N)c1ccc(Cl)cc1N ZINC000042448178 169889185 /nfs/dbraw/zinc/88/91/85/169889185.db2.gz OUNAGIZWTRXLBZ-SECBINFHSA-N 0 0 237.734 2.908 10 30 BFEERN CCN(C[C@H](C)C#N)c1ccccc1C ZINC000036677039 169889672 /nfs/dbraw/zinc/88/96/72/169889672.db2.gz VVEPGAADASXVRQ-LLVKDONJSA-N 0 0 202.301 2.981 10 30 BFEERN Cc1cnc([C@H](C)N[C@@H]2CCCC[C@H]2C#N)o1 ZINC000300712236 411490978 /nfs/dbraw/zinc/49/09/78/411490978.db2.gz GAVBGBMCNWYPPC-SDDRHHMPSA-N 0 0 233.315 2.716 10 30 BFEERN CCN[C@@H](C#N)c1c(F)cccc1Cl ZINC000020175200 170137597 /nfs/dbraw/zinc/13/75/97/170137597.db2.gz CJXXRHRQYBBDCT-VIFPVBQESA-N 0 0 212.655 2.653 10 30 BFEERN CCN[C@@H](C#N)CCOc1c(C)cccc1C ZINC000062445135 170138173 /nfs/dbraw/zinc/13/81/73/170138173.db2.gz JIISBFFPKKFCSP-CYBMUJFWSA-N 0 0 232.327 2.574 10 30 BFEERN CCN[C@H](C#N)c1ccccc1C(F)(F)F ZINC000020176297 170156286 /nfs/dbraw/zinc/15/62/86/170156286.db2.gz UYMLUNONSVJZHZ-SNVBAGLBSA-N 0 0 228.217 2.880 10 30 BFEERN CCNc1c(C#N)cnc2c(F)cccc21 ZINC000050842421 170170415 /nfs/dbraw/zinc/17/04/15/170170415.db2.gz BWOYLWPYPWTEGA-UHFFFAOYSA-N 0 0 215.231 2.677 10 30 BFEERN CCNc1nc2c(cc1C#N)C[C@@H](CC)CC2 ZINC000050871580 170176651 /nfs/dbraw/zinc/17/66/51/170176651.db2.gz NJTRDEIWZWJNKC-JTQLQIEISA-N 0 0 229.327 2.900 10 30 BFEERN CCOC(=O)[C@@H](C#N)c1cccc(Cl)c1 ZINC000002530104 170244291 /nfs/dbraw/zinc/24/42/91/170244291.db2.gz YRJLGZCWCQCFIC-JTQLQIEISA-N 0 0 223.659 2.510 10 30 BFEERN CCOCCN(CC)c1cc(C)ccc1C#N ZINC000104190930 170396337 /nfs/dbraw/zinc/39/63/37/170396337.db2.gz YVPMEIVCZQBISH-UHFFFAOYSA-N 0 0 232.327 2.730 10 30 BFEERN CCOc1ccc(-c2nocc2C#N)cc1 ZINC000000438428 170533031 /nfs/dbraw/zinc/53/30/31/170533031.db2.gz KBUIJBPSWUXDGU-UHFFFAOYSA-N 0 0 214.224 2.612 10 30 BFEERN CCOc1cccc(CO)c1OCCCCC#N ZINC000049578719 170580049 /nfs/dbraw/zinc/58/00/49/170580049.db2.gz VHYUSOOSULESLJ-UHFFFAOYSA-N 0 0 249.310 2.650 10 30 BFEERN CCOc1cccc([C@@H](C#N)NCC(C)C)c1 ZINC000020174929 170583519 /nfs/dbraw/zinc/58/35/19/170583519.db2.gz KFUKWRDSHSIQMY-CQSZACIVSA-N 0 0 232.327 2.896 10 30 BFEERN CCS[C@H](C)C(=O)Nc1ccccc1C#N ZINC000019870209 170650471 /nfs/dbraw/zinc/65/04/71/170650471.db2.gz ADTLJNCGPQWHIS-SECBINFHSA-N 0 0 234.324 2.638 10 30 BFEERN CC[C@@H]1CC[C@@H](C#N)[C@H](N(CC)CCC#N)C1 ZINC000042450549 171026882 /nfs/dbraw/zinc/02/68/82/171026882.db2.gz YOWBQFYMWWEPQJ-HZSPNIEDSA-N 0 0 233.359 2.940 10 30 BFEERN CC[C@@H]1C[C@@H]1Nc1cc(C)nc(C)c1C#N ZINC000227593756 171123260 /nfs/dbraw/zinc/12/32/60/171123260.db2.gz NCANUCULUISVTF-PWSUYJOCSA-N 0 0 215.300 2.781 10 30 BFEERN CC[C@@](C)(C#N)Nc1cccc(OC)c1 ZINC000037937831 171163978 /nfs/dbraw/zinc/16/39/78/171163978.db2.gz QANXRGAAVAWABK-LBPRGKRZSA-N 0 0 204.273 2.799 10 30 BFEERN CC[C@H](C#N)N[C@@H]1CCc2ccccc21 ZINC000043540225 171218967 /nfs/dbraw/zinc/21/89/67/171218967.db2.gz AOCFSAYKLWMXKD-DGCLKSJQSA-N 0 0 200.285 2.566 10 30 BFEERN CC[C@H](C#N)Oc1ccc(N)cc1Cl ZINC000043538515 171219940 /nfs/dbraw/zinc/21/99/40/171219940.db2.gz PVINWXGLGWOPQH-MRVPVSSYSA-N 0 0 210.664 2.603 10 30 BFEERN CC[C@H](C)N(CCOC)c1ccccc1C#N ZINC000042591880 171315487 /nfs/dbraw/zinc/31/54/87/171315487.db2.gz OZZBTVWISSYORX-LBPRGKRZSA-N 0 0 232.327 2.810 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1cc(C)c(O)c(C)c1 ZINC000038064429 171347225 /nfs/dbraw/zinc/34/72/25/171347225.db2.gz UVBIKKPPPKESDJ-WCQYABFASA-N 0 0 232.327 2.962 10 30 BFEERN CC[C@H](C)N[C@@](C)(C#N)c1ccc(N(C)C)cc1 ZINC000038064137 171347304 /nfs/dbraw/zinc/34/73/04/171347304.db2.gz FFCFFZRUEIVCCX-WFASDCNBSA-N 0 0 245.370 2.879 10 30 BFEERN CC[C@H](C)N[C@@](C)(C#N)Cc1ccccc1OC ZINC000038064541 171347488 /nfs/dbraw/zinc/34/74/88/171347488.db2.gz YNFDUWPEAXRRDD-SWLSCSKDSA-N 0 0 246.354 2.908 10 30 BFEERN CC[C@H](C)c1noc(-c2ccnc(C#N)c2)n1 ZINC000234011147 171415152 /nfs/dbraw/zinc/41/51/52/171415152.db2.gz IRPKKVRLACHFBA-QMMMGPOBSA-N 0 0 228.255 2.517 10 30 BFEERN CC[C@H]1O[C@@H]1c1cc2ccccc2c(=O)o1 ZINC000013380356 171683914 /nfs/dbraw/zinc/68/39/14/171683914.db2.gz VNEONZFLGNRQJT-PWSUYJOCSA-N 0 0 216.236 2.643 10 30 BFEERN CC[C@](C#N)(C(=O)OC)C1=CCCCC1 ZINC000033608203 171689367 /nfs/dbraw/zinc/68/93/67/171689367.db2.gz KGBFLLOSBDSYPN-GFCCVEGCSA-N 0 0 207.273 2.580 10 30 BFEERN CC[C@](C)(C#N)NC(=O)C1(c2ccccc2)CC1 ZINC000061618010 171690274 /nfs/dbraw/zinc/69/02/74/171690274.db2.gz KMNKKTQDRHRPBG-CQSZACIVSA-N 0 0 242.322 2.527 10 30 BFEERN CC[C@@]1(C)Cc2ccccc2/C(=N\N)C1 ZINC000039100795 171712296 /nfs/dbraw/zinc/71/22/96/171712296.db2.gz ZPKHCUFCDQZDJG-FRRXJZEGSA-N 0 0 202.301 2.712 10 30 BFEERN CCn1ccnc1CNc1ccc(F)c(C#N)c1 ZINC000051924374 172225060 /nfs/dbraw/zinc/22/50/60/172225060.db2.gz YUIUYTZJYWHKDD-UHFFFAOYSA-N 0 0 244.273 2.526 10 30 BFEERN CN(C)/C=C\C(=O)/C=C\C=C/c1ccccc1 ZINC000033374099 172350715 /nfs/dbraw/zinc/35/07/15/172350715.db2.gz UBLXAPPOEZMQTH-PYLNLGPZSA-N 0 0 227.307 2.900 10 30 BFEERN CN[C@@](C)(C#N)CSc1cccc(Cl)c1 ZINC000054186280 173440542 /nfs/dbraw/zinc/44/05/42/173440542.db2.gz XXXNABKZXWFUHG-NSHDSACASA-N 0 0 240.759 2.934 10 30 BFEERN CN[C@H](C#N)c1c(OC)ccc2ccccc21 ZINC000037290115 173442271 /nfs/dbraw/zinc/44/22/71/173442271.db2.gz PPRWYLWIKXJJQQ-GFCCVEGCSA-N 0 0 226.279 2.632 10 30 BFEERN CNc1nc(-c2ccc(F)cc2)ccc1C#N ZINC000049820686 173484998 /nfs/dbraw/zinc/48/49/98/173484998.db2.gz BPEPHKCKBKUGKK-UHFFFAOYSA-N 0 0 227.242 2.801 10 30 BFEERN COCCCN[C@H](C#N)c1ccccc1Cl ZINC000020173683 174250559 /nfs/dbraw/zinc/25/05/59/174250559.db2.gz ONMUCSCFUGPNOQ-GFCCVEGCSA-N 0 0 238.718 2.531 10 30 BFEERN COc1cc2oc(C#N)c(C)c2c(OC)c1 ZINC000001692592 175007985 /nfs/dbraw/zinc/00/79/85/175007985.db2.gz XMBBQMAQNVAMKV-UHFFFAOYSA-N 0 0 217.224 2.630 10 30 BFEERN COc1ccc(-c2csc(C#N)c2N)cc1 ZINC000049821690 175037898 /nfs/dbraw/zinc/03/78/98/175037898.db2.gz ULGUWDFRXQVENX-UHFFFAOYSA-N 0 0 230.292 2.878 10 30 BFEERN COc1ccc(C#N)c(Cl)c1Cl ZINC000083158418 175051261 /nfs/dbraw/zinc/05/12/61/175051261.db2.gz UVFSDPMKEXQBHW-UHFFFAOYSA-N 0 0 202.040 2.874 10 30 BFEERN COc1ccc(CCS)cc1Cl ZINC000057491420 175092642 /nfs/dbraw/zinc/09/26/42/175092642.db2.gz MZDPWSAEWLGIDG-UHFFFAOYSA-N 0 0 202.706 2.821 10 30 BFEERN COc1ccc(Cl)cc1[C@@H](C#N)C(C)=O ZINC000036931312 175122219 /nfs/dbraw/zinc/12/22/19/175122219.db2.gz LLYNNIFRVALTSM-JTQLQIEISA-N 0 0 223.659 2.545 10 30 BFEERN COc1ccc(N)cc1Oc1ccc(C#N)cc1 ZINC000036984693 175138526 /nfs/dbraw/zinc/13/85/26/175138526.db2.gz LYMIGJVEEUJFRT-UHFFFAOYSA-N 0 0 240.262 2.941 10 30 BFEERN COc1ccc(OC)c2c1C=C(C(C)=O)CC2 ZINC000034624079 175170744 /nfs/dbraw/zinc/17/07/44/175170744.db2.gz YNXGVXBSQAEVTO-UHFFFAOYSA-N 0 0 232.279 2.622 10 30 BFEERN COc1ccc(Oc2ccc(C#N)cc2N)cc1 ZINC000035674883 175173973 /nfs/dbraw/zinc/17/39/73/175173973.db2.gz VQTKZVIOFHJJBC-UHFFFAOYSA-N 0 0 240.262 2.941 10 30 BFEERN COc1ccc2cc(CC=O)ccc2c1 ZINC000034265401 175224507 /nfs/dbraw/zinc/22/45/07/175224507.db2.gz DOUAJKGKXXNGOB-UHFFFAOYSA-N 0 0 200.237 2.590 10 30 BFEERN COc1cccc(-c2cc(O)cc(C#N)c2)c1 ZINC000065341345 175234535 /nfs/dbraw/zinc/23/45/35/175234535.db2.gz FLSGSVDMZGTJDJ-UHFFFAOYSA-N 0 0 225.247 2.939 10 30 BFEERN COc1cccc(-c2ccc(C#N)c(O)c2)c1 ZINC000065341344 175234753 /nfs/dbraw/zinc/23/47/53/175234753.db2.gz OVZZXGYBRBSGMX-UHFFFAOYSA-N 0 0 225.247 2.939 10 30 BFEERN COc1cccc(N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000054824305 175280193 /nfs/dbraw/zinc/28/01/93/175280193.db2.gz OYOONFKMBUUDNA-ZWNOBZJWSA-N 0 0 216.284 2.799 10 30 BFEERN COc1cccc(N[C@H]2CCC[C@H]2C#N)c1 ZINC000054824308 175280387 /nfs/dbraw/zinc/28/03/87/175280387.db2.gz OYOONFKMBUUDNA-GWCFXTLKSA-N 0 0 216.284 2.799 10 30 BFEERN COc1cccc([C@H](C#N)NCC(C)C)c1OC ZINC000020176896 175291599 /nfs/dbraw/zinc/29/15/99/175291599.db2.gz ZNBYNOXSBVIEBH-LBPRGKRZSA-N 0 0 248.326 2.514 10 30 BFEERN COc1cccc([C@]2(C#N)CCCC(=O)C2)c1 ZINC000039209119 175296523 /nfs/dbraw/zinc/29/65/23/175296523.db2.gz MCJJAYAOJAEIFS-CQSZACIVSA-N 0 0 229.279 2.600 10 30 BFEERN COc1ccccc1N[C@H]1CCC[C@@H]1C#N ZINC000054823064 175339010 /nfs/dbraw/zinc/33/90/10/175339010.db2.gz XQIBIWKWLBHDNF-MNOVXSKESA-N 0 0 216.284 2.799 10 30 BFEERN COc1ccccc1[C@@H](C#N)NCCC(C)C ZINC000020173223 175343725 /nfs/dbraw/zinc/34/37/25/175343725.db2.gz XHVLEEDXWJBRAS-CYBMUJFWSA-N 0 0 232.327 2.896 10 30 BFEERN CSC(=S)N/N=C/c1ccc(Cl)cc1 ZINC000001101821 175440785 /nfs/dbraw/zinc/44/07/85/175440785.db2.gz NZRWCNLSTKPOBJ-IZZDOVSWSA-N 0 0 244.772 2.911 10 30 BFEERN C[C@@H](C#N)CN(C)c1ccc(Cl)cc1N ZINC000042455293 175596427 /nfs/dbraw/zinc/59/64/27/175596427.db2.gz NKJFWUCITUPJQO-QMMMGPOBSA-N 0 0 223.707 2.518 10 30 BFEERN C[C@H](CC#N)N(C)[C@@H](C)C(=O)c1ccc(F)cc1 ZINC000063087372 175629360 /nfs/dbraw/zinc/62/93/60/175629360.db2.gz OMTXXQFGEPMOTR-MNOVXSKESA-N 0 0 248.301 2.631 10 30 BFEERN C[C@@H](NCC#N)c1cccc(Br)c1 ZINC000038012580 175862728 /nfs/dbraw/zinc/86/27/28/175862728.db2.gz JQTZKWJNEKZMSZ-MRVPVSSYSA-N 0 0 239.116 2.623 10 30 BFEERN C[C@@H](N[C@@H]1CCC[C@@H]1C#N)c1cccc(O)c1 ZINC000061891423 175915442 /nfs/dbraw/zinc/91/54/42/175915442.db2.gz FYXDZYUFHPULHG-MPKXVKKWSA-N 0 0 230.311 2.735 10 30 BFEERN C[C@@H](O)c1ccccc1N(CCC#N)C1CC1 ZINC000042547538 176000198 /nfs/dbraw/zinc/00/01/98/176000198.db2.gz QAKPBASOVGHKIT-LLVKDONJSA-N 0 0 230.311 2.622 10 30 BFEERN C[C@@H]1CCCN(C(=O)[C@H](C#N)c2ccccc2)C1 ZINC000061613938 176094943 /nfs/dbraw/zinc/09/49/43/176094943.db2.gz LVOWPOGLINRJRQ-TZMCWYRMSA-N 0 0 242.322 2.552 10 30 BFEERN C[C@@H]1CCC[C@@H](C)N1/N=C/c1ccc(O)cc1 ZINC000005518110 176114232 /nfs/dbraw/zinc/11/42/32/176114232.db2.gz OYEOHKHOGJSXGY-SJIAUZAASA-N 0 0 232.327 2.989 10 30 BFEERN C[C@@H]1CC[C@H](C#N)[C@H](N(C)Cc2cscn2)C1 ZINC000042865364 176218601 /nfs/dbraw/zinc/21/86/01/176218601.db2.gz OBHNVRKIAWFXPU-NQBHXWOUSA-N 0 0 249.383 2.903 10 30 BFEERN C[C@H](C#N)CNc1cc(F)c(F)cc1F ZINC000061094001 176553720 /nfs/dbraw/zinc/55/37/20/176553720.db2.gz BPOPUDMAHNBTRK-ZCFIWIBFSA-N 0 0 214.190 2.675 10 30 BFEERN C[C@H](CC#N)Nc1cc(F)c(F)c(F)c1 ZINC000061096208 176597030 /nfs/dbraw/zinc/59/70/30/176597030.db2.gz JEPSRLHQKJPRBP-ZCFIWIBFSA-N 0 0 214.190 2.818 10 30 BFEERN C[C@H](Nc1ccc(C#N)cc1N)c1ccco1 ZINC000035739147 176932533 /nfs/dbraw/zinc/93/25/33/176932533.db2.gz ZPNALIQRECSIPS-VIFPVBQESA-N 0 0 227.267 2.907 10 30 BFEERN C[C@H](S)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095089581 177025035 /nfs/dbraw/zinc/02/50/35/177025035.db2.gz IRXUDUKFMSMBCX-VIFPVBQESA-N 0 0 245.388 2.952 10 30 BFEERN C[C@H](c1ncccc1C#N)C(F)(F)F ZINC000075839847 177054324 /nfs/dbraw/zinc/05/43/24/177054324.db2.gz IFJZTYWVIZJTMY-ZCFIWIBFSA-N 0 0 200.163 2.619 10 30 BFEERN C[C@H]1CC(C)(C)C[C@@](C#N)(NC2CC2)C1 ZINC000036924793 177063878 /nfs/dbraw/zinc/06/38/78/177063878.db2.gz NVBKWTQVJXSEJL-GWCFXTLKSA-N 0 0 206.333 2.847 10 30 BFEERN C[C@H]1CC=CC[C@H]1COc1cc(C#N)ccn1 ZINC000034958440 177069116 /nfs/dbraw/zinc/06/91/16/177069116.db2.gz NZHKUCGIHIJORL-AAEUAGOBSA-N 0 0 228.295 2.934 10 30 BFEERN C[C@H]1CCCC[C@]1(C#N)NCC(F)(F)F ZINC000037970900 177090669 /nfs/dbraw/zinc/09/06/69/177090669.db2.gz PKLAIZADPJIGDT-DTWKUNHWSA-N 0 0 220.238 2.611 10 30 BFEERN C[C@@H]1CCC[C@H](C)N1/N=C/c1ccc(O)cc1 ZINC000012417477 177114886 /nfs/dbraw/zinc/11/48/86/177114886.db2.gz OYEOHKHOGJSXGY-DGOSSHJLSA-N 0 0 232.327 2.989 10 30 BFEERN C[C@H]1CCC[C@@](CO)(Nc2ccc(C#N)cc2)C1 ZINC000053110500 177127690 /nfs/dbraw/zinc/12/76/90/177127690.db2.gz MTDFVAOEAJXXBE-SWLSCSKDSA-N 0 0 244.338 2.911 10 30 BFEERN C[C@H]1CN(C)/C(=C/C(=O)C(C)(C)C)S1 ZINC000039109324 177233149 /nfs/dbraw/zinc/23/31/49/177233149.db2.gz JHTGDOXNDKDIEC-KZSPTFSBSA-N 0 0 213.346 2.510 10 30 BFEERN C[C@H]1CN(Cc2ccc(C#N)s2)CCS1 ZINC000131399160 177261825 /nfs/dbraw/zinc/26/18/25/177261825.db2.gz AGMFZQFRCLIJQK-VIFPVBQESA-N 0 0 238.381 2.557 10 30 BFEERN C[C@H]1CSC(Nc2cccc3ncccc32)=N1 ZINC000035294596 177303146 /nfs/dbraw/zinc/30/31/46/177303146.db2.gz XJHIOQAWDNWFLX-VIFPVBQESA-N 0 0 243.335 2.947 10 30 BFEERN O=Cc1n[nH]c2cc(Br)ccc12 ZINC000504720371 226350291 /nfs/dbraw/zinc/35/02/91/226350291.db2.gz WECBQLZNLSYDGU-MRVPVSSYSA-N 0 0 225.045 2.786 10 30 BFEERN Cc1cc(C#N)cc(C)c1OC[C@H](O)C(C)(C)C ZINC000302455368 229278059 /nfs/dbraw/zinc/27/80/59/229278059.db2.gz WCKYRWKNZRGOQH-ZDUSSCGKSA-N 0 0 247.338 2.961 10 30 BFEERN CC/C=N\NC(=S)Nc1ccc(C)cc1 ZINC000034920745 487673048 /nfs/dbraw/zinc/67/30/48/487673048.db2.gz GXMRYVRPEUQGAJ-WQLSENKSSA-N 0 0 221.329 2.677 10 30 BFEERN CCn1ccc(-c2ccc(C#N)cc2)c1C=O ZINC000536957990 323969592 /nfs/dbraw/zinc/96/95/92/323969592.db2.gz IWUJEIKITLEJDO-UHFFFAOYSA-N 0 0 224.263 2.859 10 30 BFEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)C[C@@H]2C=CCC2)C1 ZINC000247025154 325584731 /nfs/dbraw/zinc/58/47/31/325584731.db2.gz NEALNDUUFUNPID-UMVBOHGHSA-N 0 0 246.354 2.931 10 30 BFEERN C[C@H](CC(=O)N[C@H]1CCC[C@H]1C#N)C(C)(C)C ZINC000251725663 325680746 /nfs/dbraw/zinc/68/07/46/325680746.db2.gz ZKHLUHSWVRVRQL-WOPDTQHZSA-N 0 0 236.359 2.867 10 30 BFEERN C=C(C)NC(=O)c1ccccc1C(F)(F)F ZINC000220124297 488053219 /nfs/dbraw/zinc/05/32/19/488053219.db2.gz MZRLVLYTRALFPN-UHFFFAOYSA-N 0 0 229.201 2.969 10 30 BFEERN C=CC[C@H](C)NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000116944094 534338015 /nfs/dbraw/zinc/33/80/15/534338015.db2.gz SVDNWZWBVLFHQI-ONGXEEELSA-N 0 0 236.315 2.913 10 30 BFEERN C=CCNc1nc(-c2ccccc2C)no1 ZINC000057354102 518962732 /nfs/dbraw/zinc/96/27/32/518962732.db2.gz GITCMCZMGSTTAJ-UHFFFAOYSA-N 0 0 215.256 2.643 10 30 BFEERN CC(=NO)c1ccc(Br)cc1 ZINC000252369906 519350873 /nfs/dbraw/zinc/35/08/73/519350873.db2.gz AWJKRPKYUKWTJX-UHFFFAOYSA-N 0 0 214.062 2.647 10 30 BFEERN CC1=NC(=N)S/C1=N\Nc1ccc(F)cc1 ZINC000100490793 520887804 /nfs/dbraw/zinc/88/78/04/520887804.db2.gz UBAYZIMUUXMBSR-LWKLEPQFSA-N 0 0 236.275 2.694 10 30 BFEERN C=CC1CCN(c2cc(C)nc(C)c2C#N)CC1 ZINC000160698751 534532574 /nfs/dbraw/zinc/53/25/74/534532574.db2.gz BCCGVKWUOKGLML-UHFFFAOYSA-N 0 0 241.338 2.973 10 30 BFEERN C=CCCC(=O)N(C)CCc1ccccc1OC ZINC000104461274 534603686 /nfs/dbraw/zinc/60/36/86/534603686.db2.gz QDZZOHZEHKMDKJ-UHFFFAOYSA-N 0 0 247.338 2.662 10 30 BFEERN C=CCCCC(=O)N1CCO[C@H]2CCCC[C@H]21 ZINC000175370922 534650333 /nfs/dbraw/zinc/65/03/33/534650333.db2.gz VVCMZBWBGFGSGY-OLZOCXBDSA-N 0 0 237.343 2.513 10 30 BFEERN C=C[C@](C)(CC(=O)OCC)C(F)(F)F ZINC000113975965 534698229 /nfs/dbraw/zinc/69/82/29/534698229.db2.gz PQTSTJHCHCODFD-MRVPVSSYSA-N 0 0 210.195 2.694 10 30 BFEERN C=CCN1CCNc2cccc(Cl)c21 ZINC000077302399 534848604 /nfs/dbraw/zinc/84/86/04/534848604.db2.gz FQHDBGGTPHFXOO-UHFFFAOYSA-N 0 0 208.692 2.758 10 30 BFEERN CC(C)c1cc(N[C@@H]2CCC[C@H]2C#N)ncn1 ZINC000408327495 535370088 /nfs/dbraw/zinc/37/00/88/535370088.db2.gz DXNMPIOHKXMKEP-WDEREUQCSA-N 0 0 230.315 2.704 10 30 BFEERN CCC[C@@H]1[C@H](C)CCCN1c1nccc(C#N)n1 ZINC000297437022 535510183 /nfs/dbraw/zinc/51/01/83/535510183.db2.gz IHNOCEUTIWIJDV-DGCLKSJQSA-N 0 0 244.342 2.753 10 30 BFEERN SCc1noc2c1CCC21CCCC1 ZINC000725252653 538035017 /nfs/dbraw/zinc/03/50/17/538035017.db2.gz NLBRUSXIWJNXBK-UHFFFAOYSA-N 0 0 209.314 2.862 10 30 BFEERN C=C[C@@H](C)N1C(=S)N=NC1c1cccc(N)c1 ZINC000757129955 582504474 /nfs/dbraw/zinc/50/44/74/582504474.db2.gz KJPPSVCZYTUONK-MRVPVSSYSA-N 0 0 246.339 2.563 10 30 BFEERN C[C@H](S)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000757159476 582541780 /nfs/dbraw/zinc/54/17/80/582541780.db2.gz KZWQATUXFCWRDD-IUCAKERBSA-N 0 0 231.361 2.704 10 30 BFEERN SCc1sccc1Br ZINC000757163933 582545336 /nfs/dbraw/zinc/54/53/36/582545336.db2.gz UXKSZHZYDDMABH-UHFFFAOYSA-N 0 0 209.133 2.940 10 30 BFEERN CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)S ZINC000757165515 582546344 /nfs/dbraw/zinc/54/63/44/582546344.db2.gz LRMWUJLJGUKYFZ-RKDXNWHRSA-N 0 0 233.377 2.854 10 30 BFEERN C[C@@](N)(C#N)CCSCc1ccc(Cl)o1 ZINC000757166338 582547618 /nfs/dbraw/zinc/54/76/18/582547618.db2.gz SRBOBUCDEHEEBH-JTQLQIEISA-N 0 0 244.747 2.797 10 30 BFEERN CCOC(=O)C[C@]1([C@@H]2CO2)CC[C@H](C)[C@@H](C)C1 ZINC000675052551 583301203 /nfs/dbraw/zinc/30/12/03/583301203.db2.gz GIWJZXOWWKNWBU-MNXVOIDGSA-N 0 0 240.343 2.781 10 30 BFEERN CC(C)(C=O)c1ccc(F)c(Cl)c1 ZINC000200101948 588942053 /nfs/dbraw/zinc/94/20/53/588942053.db2.gz GSTQUVPCNUZZFH-UHFFFAOYSA-N 0 0 200.640 2.956 10 30 BFEERN CC(C)(C)OC(=O)NC(C)(C)CCS ZINC000757162252 586431072 /nfs/dbraw/zinc/43/10/72/586431072.db2.gz DSCLCZCEALNMSC-UHFFFAOYSA-N 0 0 219.350 2.610 10 30 BFEERN C[C@H](S)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000757162341 586432140 /nfs/dbraw/zinc/43/21/40/586432140.db2.gz GCTVQJRCBCSFPN-IUCAKERBSA-N 0 0 231.361 2.562 10 30 BFEERN C[C@@H](C=O)SCc1ccc(Cl)o1 ZINC000757170924 586433198 /nfs/dbraw/zinc/43/31/98/586433198.db2.gz RXKRVKHJWQDGSC-LURJTMIESA-N 0 0 204.678 2.754 10 30 BFEERN C=CCCC(=O)Oc1cccc(C(C)=O)c1 ZINC000102217355 587818382 /nfs/dbraw/zinc/81/83/82/587818382.db2.gz CCQCBQIVIAIRPU-UHFFFAOYSA-N 0 0 218.252 2.761 10 30 BFEERN C#CC[C@@H](OC(=O)C1CCCC1)c1ccccn1 ZINC000105549367 588199686 /nfs/dbraw/zinc/19/96/86/588199686.db2.gz RWVRNLUPHCVTQX-CQSZACIVSA-N 0 0 243.306 2.879 10 30 BFEERN C=CCc1ccccc1OC(=O)c1ncoc1C ZINC000105755391 588220990 /nfs/dbraw/zinc/22/09/90/588220990.db2.gz OKKVVUWHLWZFSW-UHFFFAOYSA-N 0 0 243.262 2.931 10 30 BFEERN C=CCOC(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109153596 588524567 /nfs/dbraw/zinc/52/45/67/588524567.db2.gz MCOUFZAQVGXFCD-UWVGGRQHSA-N 0 0 238.233 2.798 10 30 BFEERN N#CCc1cc(OCc2ccccc2)ccc1N ZINC000127579669 590714323 /nfs/dbraw/zinc/71/43/23/590714323.db2.gz WQOMHMXXKKRUFU-UHFFFAOYSA-N 0 0 238.290 2.914 10 30 BFEERN CCCCCCCn1ccc([C@H](C)O)n1 ZINC000128939473 591191672 /nfs/dbraw/zinc/19/16/72/591191672.db2.gz UWXWRKHXXTVEQL-NSHDSACASA-N 0 0 210.321 2.907 10 30 BFEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@H](S)C1 ZINC000218744869 592176442 /nfs/dbraw/zinc/17/64/42/592176442.db2.gz PCDOFJVVBXRUHP-IUCAKERBSA-N 0 0 231.361 2.752 10 30 BFEERN CC(=O)[C@@H]1CCCN(c2ccc(C#N)cc2C)C1 ZINC000104412813 634481556 /nfs/dbraw/zinc/48/15/56/634481556.db2.gz MXNFSUFXGLJVTE-CQSZACIVSA-N 0 0 242.322 2.672 10 30 BFEERN CCCCCCCC(=O)NC[C@H]1CCC[C@H]1O ZINC000091315980 631538829 /nfs/dbraw/zinc/53/88/29/631538829.db2.gz IQEKTWLHLUZMHN-CHWSQXEVSA-N 0 0 241.375 2.624 10 30 BFEERN COC1CC(Nc2ccc(Cl)cc2C#N)C1 ZINC000230599927 635850882 /nfs/dbraw/zinc/85/08/82/635850882.db2.gz PDWUKLGXNGXJPB-UHFFFAOYSA-N 0 0 236.702 2.801 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@@H]1C#N ZINC000165876661 640597047 /nfs/dbraw/zinc/59/70/47/640597047.db2.gz BBMSADVUENDKHR-NXEZZACHSA-N 0 0 224.304 2.593 10 30 BFEERN CCCCCCC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000225119076 640664609 /nfs/dbraw/zinc/66/46/09/640664609.db2.gz JOPVOZHNJISXNX-NWDGAFQWSA-N 0 0 222.332 2.765 10 30 BFEERN CC(C)(C)[C@H]1CCc2c(C#N)c(N)ncc2C1 ZINC000675063245 640956025 /nfs/dbraw/zinc/95/60/25/640956025.db2.gz AGPKDXCBLNNCKS-JTQLQIEISA-N 0 0 229.327 2.686 10 30 BFEERN C#CCN(C(=O)[C@@H]1CCC[C@H]1C)C(C)(C)C ZINC000723030663 711496447 /nfs/dbraw/zinc/49/64/47/711496447.db2.gz HMEJVFOJLGZPDK-VXGBXAGGSA-N 0 0 221.344 2.683 10 30 BFEERN C=C(Br)CN[C@H](C)c1ncc(C)o1 ZINC000230645367 641076597 /nfs/dbraw/zinc/07/65/97/641076597.db2.gz RMOXDOGBDWSAJC-MRVPVSSYSA-N 0 0 245.120 2.542 10 30 BFEERN N#Cc1cc2c(nc1N)CC[C@@H](c1ccccc1)C2 ZINC000050871146 642351409 /nfs/dbraw/zinc/35/14/09/642351409.db2.gz ZUPKGVWPDIWXLG-GFCCVEGCSA-N 0 0 249.317 2.808 10 30 BFEERN O=[N+]([O-])c1cc(CS)ccc1Br ZINC000238724303 642834300 /nfs/dbraw/zinc/83/43/00/642834300.db2.gz KWFSYEFFXZELCX-UHFFFAOYSA-N 0 0 248.101 2.787 10 30 BFEERN C#C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000185962195 643416566 /nfs/dbraw/zinc/41/65/66/643416566.db2.gz RDWDRNIVJADZEM-MNOVXSKESA-N 0 0 248.301 2.516 10 30 BFEERN C#C[C@H](C)OC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000246515966 644591606 /nfs/dbraw/zinc/59/16/06/644591606.db2.gz HFHSAUAQRHVDMI-DRZSPHRISA-N 0 0 220.312 2.768 10 30 BFEERN CC(C)(C)c1coc(CN[C@H]2CCC[C@H]2C#N)n1 ZINC000724420829 710740679 /nfs/dbraw/zinc/74/06/79/710740679.db2.gz WETHBATYWIPOBT-QWRGUYRKSA-N 0 0 247.342 2.754 10 30 BFEERN C#CCN(C(=O)[C@H]1CCC[C@H]1C)C(C)(C)C ZINC000723030660 711496092 /nfs/dbraw/zinc/49/60/92/711496092.db2.gz HMEJVFOJLGZPDK-NEPJUHHUSA-N 0 0 221.344 2.683 10 30 BFEERN C#Cc1cccc(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000700986377 712011212 /nfs/dbraw/zinc/01/12/12/712011212.db2.gz CMRDUVMAMWOUHK-LSDHHAIUSA-N 0 0 227.307 2.647 10 30 BFEERN CCC(C)(C)c1noc(-c2ccc(C#N)cn2)n1 ZINC000710812822 712257529 /nfs/dbraw/zinc/25/75/29/712257529.db2.gz LXLKAMOPYLGGFP-UHFFFAOYSA-N 0 0 242.282 2.691 10 30 BFEERN Cc1cc(C#N)ccc1N[C@@H](C)[C@@H]1CCCO1 ZINC000037732636 712750302 /nfs/dbraw/zinc/75/03/02/712750302.db2.gz FIWQZMZUZRNFBP-FZMZJTMJSA-N 0 0 230.311 2.846 10 30 BFEERN Cc1cc(C#N)ccc1N[C@H](C)[C@H]1CCCO1 ZINC000037732639 712752706 /nfs/dbraw/zinc/75/27/06/712752706.db2.gz FIWQZMZUZRNFBP-BXUZGUMPSA-N 0 0 230.311 2.846 10 30 BFEERN C#CCC(C)(C)COC(=O)/C=C(/C)C1CC1 ZINC000588456745 958587298 /nfs/dbraw/zinc/58/72/98/958587298.db2.gz FSMLOTWRIVLASP-LUAWRHEFSA-N 0 0 220.312 2.935 10 30 BFEERN CC[N@H+](CCCCC(C)(C)C#N)[C@@H](C)C(=O)[O-] ZINC000707919308 954980227 /nfs/dbraw/zinc/98/02/27/954980227.db2.gz SGYNPKKKHGJNKR-NSHDSACASA-N 0 0 240.347 2.501 10 30 BFEERN C/C=C(/C)C(=O)OCC1(C#N)CCCC1 ZINC000588411726 958323924 /nfs/dbraw/zinc/32/39/24/958323924.db2.gz QWJOBOVJTLGGHM-KMKOMSMNSA-N 0 0 207.273 2.580 10 30 BFEERN C/C(=C/C(=O)OCC(C)(C)CC#N)C1CC1 ZINC000588467278 958642948 /nfs/dbraw/zinc/64/29/48/958642948.db2.gz FDYSIKLPTYWEIQ-NTMALXAHSA-N 0 0 221.300 2.826 10 30 BFEERN CC(C)(CC#N)COC(=O)/C=C\c1cccnc1 ZINC000588467228 958645270 /nfs/dbraw/zinc/64/52/70/958645270.db2.gz IQVIZLRRSFCJPP-WAYWQWQTSA-N 0 0 244.294 2.578 10 30 BFEERN CC(C)(C)[C@H](C#N)OC(=O)/C=C\c1ccco1 ZINC000588470004 958700578 /nfs/dbraw/zinc/70/05/78/958700578.db2.gz BPYXAFQQZGNNAX-ZADCQDASSA-N 0 0 233.267 2.774 10 30 BFEERN C#C[C@@H](OC(=O)/C(C)=C\C(C)(C)C)C1CC1 ZINC000588508179 958873876 /nfs/dbraw/zinc/87/38/76/958873876.db2.gz PBYSEZSSZNVGBT-ZWLSGLHFSA-N 0 0 220.312 2.934 10 30 BFEERN C=CCN(C)C(=O)/C(C)=C\c1ccc(F)cc1 ZINC000588524602 958937394 /nfs/dbraw/zinc/93/73/94/958937394.db2.gz PCLLTCAMJIHURF-KHPPLWFESA-N 0 0 233.286 2.873 10 30 BFEERN CC/C=C\COC(=O)c1cccc(F)c1C#N ZINC000588528039 958959734 /nfs/dbraw/zinc/95/97/34/958959734.db2.gz QQUAGRMCMCDRRM-ARJAWSKDSA-N 0 0 233.242 2.820 10 30 BFEERN C=C[C@@H](C)OC(=O)/C=C\c1ccccc1C#N ZINC000588539636 959015499 /nfs/dbraw/zinc/01/54/99/959015499.db2.gz GJGQEWSHKXAYIC-TYBABMIJSA-N 0 0 227.263 2.689 10 30 BFEERN CC[C@H](CC#N)OC(=O)/C=C\c1ccccc1 ZINC000588558033 959169387 /nfs/dbraw/zinc/16/93/87/959169387.db2.gz SJASKMUMOWRTRQ-LJTDUEICSA-N 0 0 229.279 2.935 10 30 BFEERN CC[C@@H](CC#N)OC(=O)/C=C(/C)C1CC1 ZINC000588558199 959171535 /nfs/dbraw/zinc/17/15/35/959171535.db2.gz XYVPVQSGWGNFCS-IQQGHNRFSA-N 0 0 207.273 2.578 10 30 BFEERN O=C(/C=C\c1cocn1)c1cc(F)cc(F)c1 ZINC000588579646 959341196 /nfs/dbraw/zinc/34/11/96/959341196.db2.gz XBBOHSNVVADCLX-UPHRSURJSA-N 0 0 235.189 2.849 10 30 BFEERN CCc1ccc(C(=O)/C=C\c2cocn2)o1 ZINC000588579502 959341406 /nfs/dbraw/zinc/34/14/06/959341406.db2.gz TTYHEEBYTSJTDG-HYXAFXHYSA-N 0 0 217.224 2.726 10 30 BFEERN C#C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000702310392 968995195 /nfs/dbraw/zinc/99/51/95/968995195.db2.gz YSCXKWUBDJWRFJ-CYBMUJFWSA-N 0 0 245.322 2.522 10 30 BFEERN C=CCCCCC[N@@H+](CC)[C@@H](C)C(=O)[O-] ZINC000707960128 969031295 /nfs/dbraw/zinc/03/12/95/969031295.db2.gz IZVXHESNEKUBPB-NSHDSACASA-N 0 0 213.321 2.528 10 30 BFEERN C=CCCCCC[N@H+]1CC[C@@H](C)[C@@H](C(=O)[O-])C1 ZINC000822088957 969200822 /nfs/dbraw/zinc/20/08/22/969200822.db2.gz XDUAXXJSXBPHBC-OLZOCXBDSA-N 0 0 239.359 2.775 10 30 BFEERN C#CCCCCC[N@H+]1CCCC[C@H]1CC(=O)[O-] ZINC000686685945 976116971 /nfs/dbraw/zinc/11/69/71/976116971.db2.gz QDGOTWBPBYXGHJ-ZDUSSCGKSA-N 0 0 237.343 2.509 10 30 BFEERN C[C@H](CCC#N)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000695718781 976803407 /nfs/dbraw/zinc/80/34/07/976803407.db2.gz SVZCTBWQQXUTDM-LLVKDONJSA-N 0 0 246.310 2.509 10 30 BFEERN CC(C)(C)OC(=O)C#CC12CCC(CC1)C2 ZINC000685953603 538897781 /nfs/dbraw/zinc/89/77/81/538897781.db2.gz NHAGGVULLVWVFC-UHFFFAOYSA-N 0 0 220.312 2.912 10 30 BFEERN C=C(C)C(=O)C1(N(C)C(=O)OC(C)(C)C)CC1 ZINC000685962273 538909352 /nfs/dbraw/zinc/90/93/52/538909352.db2.gz BEFIWDYLBQSETQ-UHFFFAOYSA-N 0 0 239.315 2.531 10 30 BFEERN C=CCC(=O)C1(N(C)C(=O)OC(C)(C)C)CC1 ZINC000685962740 538909522 /nfs/dbraw/zinc/90/95/22/538909522.db2.gz RTBVIEKMXKTBDJ-UHFFFAOYSA-N 0 0 239.315 2.531 10 30 BFEERN Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C#N)c1F ZINC000161617018 349476457 /nfs/dbraw/zinc/47/64/57/349476457.db2.gz HWTICHSSJGDLDH-JQWIXIFHSA-N 0 0 246.285 2.556 10 30 BFEERN Cc1cc(CN[C@@H]2CCC[C@H]2C#N)cc(C)c1O ZINC000061891760 178033235 /nfs/dbraw/zinc/03/32/35/178033235.db2.gz MFYNIMIPXQYKJT-UONOGXRCSA-N 0 0 244.338 2.791 10 30 BFEERN Cc1cc(CN[C@H]2CCC[C@H]2C#N)cc(C)c1O ZINC000061891761 178040806 /nfs/dbraw/zinc/04/08/06/178040806.db2.gz MFYNIMIPXQYKJT-KBPBESRZSA-N 0 0 244.338 2.791 10 30 BFEERN C=C[C@H](C)Sc1sc(N)nc1C ZINC000052142492 398189535 /nfs/dbraw/zinc/18/95/35/398189535.db2.gz VRNADCJWTUUTAH-YFKPBYRVSA-N 0 0 200.332 2.700 10 30 BFEERN Cc1cc(N2C[C@@H]3CCC[C@H]3C2)c(C#N)c(C)n1 ZINC000125087783 178121438 /nfs/dbraw/zinc/12/14/38/178121438.db2.gz QWANWOKTJOQMLB-STQMWFEESA-N 0 0 241.338 2.806 10 30 BFEERN CC[C@H](Nc1ccnc(C#N)c1)C(C)C ZINC000061811970 398219719 /nfs/dbraw/zinc/21/97/19/398219719.db2.gz UXQKJCDHDALVRH-LBPRGKRZSA-N 0 0 203.289 2.800 10 30 BFEERN COc1ccc(C(=O)CC#N)c2ccccc12 ZINC000036405483 343985882 /nfs/dbraw/zinc/98/58/82/343985882.db2.gz JYQRVEOAQYEKAS-UHFFFAOYSA-N 0 0 225.247 2.945 10 30 BFEERN CCOC(=O)[C@H]1OC1(CC(C)C)CC(C)C ZINC000163902743 538930990 /nfs/dbraw/zinc/93/09/90/538930990.db2.gz LFYQIHVMTOKBPB-LLVKDONJSA-N 0 0 228.332 2.779 10 30 BFEERN Cc1cc(Nc2ccccc2C#N)ncc1N ZINC000082539878 178193773 /nfs/dbraw/zinc/19/37/73/178193773.db2.gz GNNZVUKCXAODLL-UHFFFAOYSA-N 0 0 224.267 2.588 10 30 BFEERN Cc1cc(OCCS)ccc1Cl ZINC000041211452 178210659 /nfs/dbraw/zinc/21/06/59/178210659.db2.gz TYLQWCZAAIRSDZ-UHFFFAOYSA-N 0 0 202.706 2.957 10 30 BFEERN Cc1cc(Oc2ccnc(C#N)c2)ccc1N ZINC000061812362 178215323 /nfs/dbraw/zinc/21/53/23/178215323.db2.gz GTUIVFDKEJUNIN-UHFFFAOYSA-N 0 0 225.251 2.636 10 30 BFEERN Cc1cc(SCc2cccc(C#N)c2)n(C)n1 ZINC000052309747 178218531 /nfs/dbraw/zinc/21/85/31/178218531.db2.gz FMUBXPZGCNCSPF-UHFFFAOYSA-N 0 0 243.335 2.893 10 30 BFEERN Cc1cc(S[C@@H]2CCO[C@H]2C)c(C#N)c(C)n1 ZINC000229329780 178220069 /nfs/dbraw/zinc/22/00/69/178220069.db2.gz NVSQYZRRBFUERD-CMPLNLGQSA-N 0 0 248.351 2.840 10 30 BFEERN CC(=O)/C=C/C1=C(C)C[C@@H](O)CC1(C)C ZINC000014487641 259305811 /nfs/dbraw/zinc/30/58/11/259305811.db2.gz HFRZSVYKDDZRQY-MVIFTORASA-N 0 0 208.301 2.629 10 30 endogenous,in-man BFEERN CCOC(=O)[C@]1(CC)O[C@]1(C)CC1CCC1 ZINC000229762693 538941034 /nfs/dbraw/zinc/94/10/34/538941034.db2.gz PBTUMSQJWAQGPZ-OLZOCXBDSA-N 0 0 226.316 2.677 10 30 BFEERN Cc1ccc(-c2ncc(C#N)s2)cc1 ZINC000082415645 178338620 /nfs/dbraw/zinc/33/86/20/178338620.db2.gz RMBNDIKWMYHTBJ-UHFFFAOYSA-N 0 0 200.266 2.990 10 30 BFEERN CCC(CC)N(C)c1cccc(C#N)n1 ZINC000081617440 168369441 /nfs/dbraw/zinc/36/94/41/168369441.db2.gz OWQPCEMHGCAHMU-UHFFFAOYSA-N 0 0 203.289 2.578 10 30 BFEERN Cc1ccc(/C(=N\O)c2ccccc2)c(O)c1 ZINC000100132719 178350826 /nfs/dbraw/zinc/35/08/26/178350826.db2.gz SSIHOUYNCPXGKK-PFONDFGASA-N 0 0 227.263 2.927 10 30 BFEERN C=C(C)C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000405420334 538959640 /nfs/dbraw/zinc/95/96/40/538959640.db2.gz CNERWNOMTZKZGE-SNVBAGLBSA-N 0 0 239.315 2.531 10 30 BFEERN COc1ccccc1CCCC[C@@H]1CO1 ZINC000215952059 342714979 /nfs/dbraw/zinc/71/49/79/342714979.db2.gz WINWIKTUXNSUKX-GFCCVEGCSA-N 0 0 206.285 2.807 10 30 BFEERN C=CC(=O)c1cc(F)c(Cl)c(F)c1 ZINC000306654767 361861744 /nfs/dbraw/zinc/86/17/44/361861744.db2.gz WXVLPRZDHAGDHB-UHFFFAOYSA-N 0 0 202.587 2.987 10 30 BFEERN C=CC[C@@H](OCC(OCC)OCC)C1CC1 ZINC000144682497 342749440 /nfs/dbraw/zinc/74/94/40/342749440.db2.gz RATNZNZCEZATHC-GFCCVEGCSA-N 0 0 228.332 2.757 10 30 BFEERN COc1ccc(/N=C/c2ccccn2)cc1 ZINC000003592852 342735002 /nfs/dbraw/zinc/73/50/02/342735002.db2.gz QJGNPMFRAQIRQK-XNTDXEJSSA-N 0 0 212.252 2.841 10 30 BFEERN ON=C(Nc1ccccc1)Nc1ccccc1 ZINC000005581578 342766293 /nfs/dbraw/zinc/76/62/93/342766293.db2.gz ZMCHRPDADZKXBQ-UHFFFAOYSA-N 0 0 227.267 2.956 10 30 BFEERN C=CCC[C@@H](CO)COc1ccc(F)cc1 ZINC000146459843 342769798 /nfs/dbraw/zinc/76/97/98/342769798.db2.gz XBVKJAUPEREBBX-NSHDSACASA-N 0 0 224.275 2.779 10 30 BFEERN COc1ccc(COCC2CC(C#N)C2)cc1 ZINC000146811542 342773092 /nfs/dbraw/zinc/77/30/92/342773092.db2.gz AXVXBDUXQKPBGS-UHFFFAOYSA-N 0 0 231.295 2.762 10 30 BFEERN CC(C)(C)c1ccc(C#CC2CC2)nn1 ZINC000585143941 398283443 /nfs/dbraw/zinc/28/34/43/398283443.db2.gz UZSWRHNUOLIFIL-UHFFFAOYSA-N 0 0 200.285 2.536 10 30 BFEERN N#Cc1cncc(Sc2ccc(CO)cc2)c1 ZINC000148691995 342792340 /nfs/dbraw/zinc/79/23/40/342792340.db2.gz AZRBZOKEOWEJJD-UHFFFAOYSA-N 0 0 242.303 2.597 10 30 BFEERN CCOc1cc(F)c(CC#N)cc1OCC ZINC000149429787 342794069 /nfs/dbraw/zinc/79/40/69/342794069.db2.gz QHGXCUYWSZVEAK-UHFFFAOYSA-N 0 0 223.247 2.689 10 30 BFEERN C[C@H](S)C(=O)Nc1c(F)cccc1Cl ZINC000235563067 344005622 /nfs/dbraw/zinc/00/56/22/344005622.db2.gz GXAZCGLYKSXQIX-YFKPBYRVSA-N 0 0 233.695 2.736 10 30 BFEERN N#CCC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000127076595 342835920 /nfs/dbraw/zinc/83/59/20/342835920.db2.gz KGHOOICGHRTHME-SFYZADRCSA-N 0 0 219.206 2.838 10 30 BFEERN CC[C@@H](C#N)C(=O)C1CCC(F)(F)CC1 ZINC000127078746 342836866 /nfs/dbraw/zinc/83/68/66/342836866.db2.gz GGBIHHIJKBAGOM-QMMMGPOBSA-N 0 0 215.243 2.931 10 30 BFEERN CN(C)/C=C1/C[C@@H](C2CCC2)CCC1=O ZINC000710194557 539027911 /nfs/dbraw/zinc/02/79/11/539027911.db2.gz YJHFKXXULSYAFT-AWPPVZKDSA-N 0 0 207.317 2.601 10 30 BFEERN C#C[C@@H](C)Nc1cccc(Br)c1C#N ZINC000165017688 342868536 /nfs/dbraw/zinc/86/85/36/342868536.db2.gz AQPGIFNYFRWPLY-MRVPVSSYSA-N 0 0 249.111 2.754 10 30 BFEERN CSc1c(C#N)cnc2ccccc21 ZINC000038063629 342869089 /nfs/dbraw/zinc/86/90/89/342869089.db2.gz IIBMTQCJNZIYNZ-UHFFFAOYSA-N 0 0 200.266 2.828 10 30 BFEERN C=CCCC(=O)c1ccc(C#N)c(F)c1 ZINC000308796927 342871691 /nfs/dbraw/zinc/87/16/91/342871691.db2.gz HXONZRRRURVMGU-UHFFFAOYSA-N 0 0 203.216 2.846 10 30 BFEERN C=CCSCC(=O)Cc1ccc(F)cc1 ZINC000308837936 342873992 /nfs/dbraw/zinc/87/39/92/342873992.db2.gz XGFITLOKFMQEJG-UHFFFAOYSA-N 0 0 224.300 2.857 10 30 BFEERN C[C@H](CC(=O)N[C@@H]1CCC[C@@H]1C#N)C(C)(C)C ZINC000111649858 346870192 /nfs/dbraw/zinc/87/01/92/346870192.db2.gz ZKHLUHSWVRVRQL-IJLUTSLNSA-N 0 0 236.359 2.867 10 30 BFEERN Cc1cc(CC#N)c(Cl)cc1[N+](=O)[O-] ZINC000218125818 398325718 /nfs/dbraw/zinc/32/57/18/398325718.db2.gz ISVOXETVORCUJY-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN CC(C)(C#N)c1ncccc1Br ZINC000216768241 342915474 /nfs/dbraw/zinc/91/54/74/342915474.db2.gz PXTFAFJKPMABGV-UHFFFAOYSA-N 0 0 225.089 2.645 10 30 BFEERN CC#CCN[C@@H](C)c1ccc(Br)o1 ZINC000167684788 346873130 /nfs/dbraw/zinc/87/31/30/346873130.db2.gz ILSWUELSVPSXRY-QMMMGPOBSA-N 0 0 242.116 2.716 10 30 BFEERN N#CCc1nc2cc(OC(F)F)ccc2s1 ZINC000309275873 342944501 /nfs/dbraw/zinc/94/45/01/342944501.db2.gz FCHBGWVLYIMZOI-UHFFFAOYSA-N 0 0 240.234 2.964 10 30 BFEERN C=C(C)CN(CC)c1ccc([N+](=O)[O-])cc1C=O ZINC000034957034 187207811 /nfs/dbraw/zinc/20/78/11/187207811.db2.gz AREJUOXQZDBOQD-UHFFFAOYSA-N 0 0 248.282 2.810 10 30 BFEERN CSCCC(=O)c1cccc(F)c1C#N ZINC000308781188 346911037 /nfs/dbraw/zinc/91/10/37/346911037.db2.gz CSUZGCQHPMLGMK-UHFFFAOYSA-N 0 0 223.272 2.633 10 30 BFEERN C=CCSCC(=O)c1cccc(OC)c1 ZINC000308779079 346911217 /nfs/dbraw/zinc/91/12/17/346911217.db2.gz BWCACFNWCPYUIJ-UHFFFAOYSA-N 0 0 222.309 2.797 10 30 BFEERN N#CC[C@@H]1CCCN1Cc1ccccc1 ZINC000117479510 342997620 /nfs/dbraw/zinc/99/76/20/342997620.db2.gz FSNSUSQYNLCLRF-ZDUSSCGKSA-N 0 0 200.285 2.565 10 30 BFEERN COC(=O)c1cc(C#N)c(F)c2ccccc12 ZINC000036449311 343002559 /nfs/dbraw/zinc/00/25/59/343002559.db2.gz ZNCIJBMXMSXPAQ-UHFFFAOYSA-N 0 0 229.210 2.637 10 30 BFEERN Cc1cc(C#CBr)ccc1F ZINC000138791938 343025265 /nfs/dbraw/zinc/02/52/65/343025265.db2.gz SIGQSRPRVNIPPY-UHFFFAOYSA-N 0 0 213.049 2.838 10 30 BFEERN CC(=O)Nc1cc(C#N)cc(C(F)(F)F)c1 ZINC000309288581 343031613 /nfs/dbraw/zinc/03/16/13/343031613.db2.gz NFTILGGFAAMIPW-UHFFFAOYSA-N 0 0 228.173 2.535 10 30 BFEERN CO[C@@](C)(c1ccc(C#N)cc1)C(F)(F)F ZINC000118648413 343051814 /nfs/dbraw/zinc/05/18/14/343051814.db2.gz FXKIQQCOPPOZCM-JTQLQIEISA-N 0 0 229.201 2.982 10 30 BFEERN C[C@H](C#N)CC(=O)c1ccc(F)c(F)c1 ZINC000043368305 343057766 /nfs/dbraw/zinc/05/77/66/343057766.db2.gz XVRPWIJOVHYISD-ZETCQYMHSA-N 0 0 209.195 2.697 10 30 BFEERN CC(C)(C)/N=C/c1cc([N+](=O)[O-])ccc1[O-] ZINC000023379401 343063868 /nfs/dbraw/zinc/06/38/68/343063868.db2.gz VSOSUDYIJPZJLQ-KPKJPENVSA-N 0 0 222.244 2.518 10 30 BFEERN C#CCOc1ccc(Cl)cc1C[NH2+]C1CC1 ZINC000037703631 187229620 /nfs/dbraw/zinc/22/96/20/187229620.db2.gz WHUYIGNRXUKMOL-UHFFFAOYSA-N 0 0 235.714 2.604 10 30 BFEERN O=C(C1=CCCC1)c1cc(F)ncc1F ZINC000306661194 362020742 /nfs/dbraw/zinc/02/07/42/362020742.db2.gz NTWDWLHLJXSNFE-UHFFFAOYSA-N 0 0 209.195 2.653 10 30 BFEERN O=C1C=C(c2ccccc2)c2ccccc2C1=O ZINC000013443868 343088641 /nfs/dbraw/zinc/08/86/41/343088641.db2.gz YDYHFBSKZVOOSR-UHFFFAOYSA-N 0 0 234.254 2.884 10 30 BFEERN N#Cc1ccc(C(=O)C(F)(F)Cl)cc1F ZINC000308834933 346924277 /nfs/dbraw/zinc/92/42/77/346924277.db2.gz VWPFGLSSJSASBJ-UHFFFAOYSA-N 0 0 233.576 2.712 10 30 BFEERN C[C@H](N=C(NC#N)Nc1ccccc1)C(C)(C)C ZINC000013777067 343104046 /nfs/dbraw/zinc/10/40/46/343104046.db2.gz BNIZYODSEJZOIY-NSHDSACASA-N 0 0 244.342 2.960 10 30 BFEERN C=C(C)C(=O)O[C@@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]21 ZINC000072266211 343111165 /nfs/dbraw/zinc/11/11/65/343111165.db2.gz PXPQLEHKQLUZLY-KSSYENDESA-N 0 0 218.296 2.706 10 30 BFEERN C[C@H](C#N)Nc1ccc(F)cc1Br ZINC000043514712 343116457 /nfs/dbraw/zinc/11/64/57/343116457.db2.gz JDFLQKPNTBKGOS-ZCFIWIBFSA-N 0 0 243.079 2.912 10 30 BFEERN C[C@H](C#N)Sc1ccc([N+](=O)[O-])cc1 ZINC000043522797 343125710 /nfs/dbraw/zinc/12/57/10/343125710.db2.gz ICUJPHCOWTWYFD-SSDOTTSWSA-N 0 0 208.242 2.599 10 30 BFEERN CCOC=NN=c1[nH]c2ccccc2s1 ZINC000005324519 187247440 /nfs/dbraw/zinc/24/74/40/187247440.db2.gz AXGRGGHRIJLIIQ-YRNVUSSQSA-N 0 0 221.285 2.688 10 30 BFEERN C[C@H]1CC[C@@H](NC(=O)CC#N)c2ccccc21 ZINC000185557774 136275239 /nfs/dbraw/zinc/27/52/39/136275239.db2.gz ZTXZKKCVEWLWBQ-GXFFZTMASA-N 0 0 228.295 2.655 10 30 BFEERN C/C(=N\NC(N)=S)c1ccc(C(C)(C)C)cc1 ZINC000035104844 343284497 /nfs/dbraw/zinc/28/44/97/343284497.db2.gz JHESMDRAHQLJII-OQLLNIDSSA-N 0 0 249.383 2.541 10 30 BFEERN Cc1ccc(OCC(=O)OC(C)(C)C)c(C#N)c1 ZINC000200139120 343268515 /nfs/dbraw/zinc/26/85/15/343268515.db2.gz ZAQPCESETHGXML-UHFFFAOYSA-N 0 0 247.294 2.587 10 30 BFEERN O=C1C(Cl)=C(Cl)C(Cl)=C1Cl ZINC000034485124 343272411 /nfs/dbraw/zinc/27/24/11/343272411.db2.gz IPHNDZBXDVPRNK-UHFFFAOYSA-N 0 0 217.866 2.948 10 30 BFEERN N#C[C@]1(NC2CCCCCC2)CCSC1 ZINC000037970029 187253959 /nfs/dbraw/zinc/25/39/59/187253959.db2.gz ZOLPRPVTUKBBLR-GFCCVEGCSA-N 0 0 224.373 2.698 10 30 BFEERN CC(C)(C)C#CC[C@@H](O)c1cscn1 ZINC000300734564 343323523 /nfs/dbraw/zinc/32/35/23/343323523.db2.gz GUTWFTRLSQCMPK-SNVBAGLBSA-N 0 0 209.314 2.616 10 30 BFEERN N#CCc1nc2ccc(OC(F)F)cc2s1 ZINC000309335490 343293821 /nfs/dbraw/zinc/29/38/21/343293821.db2.gz ZMAITWUJHWKYLS-UHFFFAOYSA-N 0 0 240.234 2.964 10 30 BFEERN N#CCc1cc(Br)cc(F)c1F ZINC000216824007 343375480 /nfs/dbraw/zinc/37/54/80/343375480.db2.gz SSZKSKWNLJSZDS-UHFFFAOYSA-N 0 0 232.027 2.793 10 30 BFEERN N#CCCn1nc(-c2ccccc2Cl)cc1N ZINC000035277028 187258105 /nfs/dbraw/zinc/25/81/05/187258105.db2.gz JTRVRVCQDDRHJW-UHFFFAOYSA-N 0 0 246.701 2.699 10 30 BFEERN O=CC1CCN(Cc2ccc(Cl)s2)CC1 ZINC000054239073 343422716 /nfs/dbraw/zinc/42/27/16/343422716.db2.gz SIXMPAVXFZMTGY-UHFFFAOYSA-N 0 0 243.759 2.812 10 30 BFEERN CC[C@@](C)(C#N)NC(=O)OCc1ccccc1 ZINC000148982586 343416863 /nfs/dbraw/zinc/41/68/63/343416863.db2.gz YEXQEZABGXFXRB-ZDUSSCGKSA-N 0 0 232.283 2.605 10 30 BFEERN N#Cc1cccc(-c2ccc(Cl)cn2)n1 ZINC000072204182 187261426 /nfs/dbraw/zinc/26/14/26/187261426.db2.gz KTDKTJLWTRFOCX-UHFFFAOYSA-N 0 0 215.643 2.669 10 30 BFEERN Cc1cnc(NC(=O)N2CCC[C@@H](C3CC3)C2)o1 ZINC000329405801 136365664 /nfs/dbraw/zinc/36/56/64/136365664.db2.gz BWHFFICBPQUITF-LLVKDONJSA-N 0 0 249.314 2.651 10 30 BFEERN C[C@@H](NC(=O)c1conc1C1CC1)c1ccon1 ZINC000329547035 136365734 /nfs/dbraw/zinc/36/57/34/136365734.db2.gz DPNPMVKRHZWDNF-SSDOTTSWSA-N 0 0 247.254 2.606 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(F)cc1F ZINC000054829044 136373086 /nfs/dbraw/zinc/37/30/86/136373086.db2.gz YLWYBYZUJMHLGA-RNCFNFMXSA-N 0 0 236.265 2.747 10 30 BFEERN C[C@H](C#N)Oc1cccc(C(F)(F)F)c1 ZINC000047873925 343567122 /nfs/dbraw/zinc/56/71/22/343567122.db2.gz SLLJFPMAGHSGFY-SSDOTTSWSA-N 0 0 215.174 2.996 10 30 BFEERN N#Cc1cn(Cc2ccccc2)c2ncccc12 ZINC000072322270 343638150 /nfs/dbraw/zinc/63/81/50/343638150.db2.gz GRQAQEOFEMFWLF-UHFFFAOYSA-N 0 0 233.274 2.956 10 30 BFEERN CC(C)SCC[NH2+][C@H]1CCCC[C@H]1C#N ZINC000379778633 343624787 /nfs/dbraw/zinc/62/47/87/343624787.db2.gz BFWUSPJVGCXAON-RYUDHWBXSA-N 0 0 226.389 2.800 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@@]12CCCC[C@H]2C(C)C ZINC000300024019 537801266 /nfs/dbraw/zinc/80/12/66/537801266.db2.gz FBGJHESYLGDVBU-WCQGTBRESA-N 0 0 246.734 2.710 10 30 BFEERN CO[C@H](C#N)c1ccc(F)cc1Br ZINC000234767428 343654011 /nfs/dbraw/zinc/65/40/11/343654011.db2.gz MHYXOHSTIQBMEU-SECBINFHSA-N 0 0 244.063 2.799 10 30 BFEERN C/C=C\C(=O)c1ccc(Cl)cc1C(=O)OC ZINC000309515421 343661581 /nfs/dbraw/zinc/66/15/81/343661581.db2.gz ULEPSCKLIQFJOA-ARJAWSKDSA-N 0 0 238.670 2.885 10 30 BFEERN C/C=C\C(=O)c1ccccc1C(=O)OCC ZINC000309517523 343662211 /nfs/dbraw/zinc/66/22/11/343662211.db2.gz VXZHNIALBDFWEN-CLTKARDFSA-N 0 0 218.252 2.622 10 30 BFEERN CC(C)SCc1ccc(C#CCO)s1 ZINC000043683395 343700527 /nfs/dbraw/zinc/70/05/27/343700527.db2.gz JNXOQBQIAOXFDU-UHFFFAOYSA-N 0 0 226.366 2.734 10 30 BFEERN C/C(=N/O)c1ccccc1NC(=O)CC1CC1 ZINC000049730653 187270580 /nfs/dbraw/zinc/27/05/80/187270580.db2.gz ZBTPLQQTEUDZOB-DHDCSXOGSA-N 0 0 232.283 2.623 10 30 BFEERN Cc1c(C#N)cccc1[C@H](C)c1ncc[nH]1 ZINC000114419770 346962287 /nfs/dbraw/zinc/96/22/87/346962287.db2.gz OORQCQNNSPMCHK-JTQLQIEISA-N 0 0 211.268 2.742 10 30 BFEERN N#CCc1ccc(N[C@H]2CCC[C@H]2C#N)cc1 ZINC000054829175 187272269 /nfs/dbraw/zinc/27/22/69/187272269.db2.gz XWZBBARTUOZFCC-JSGCOSHPSA-N 0 0 225.295 2.857 10 30 BFEERN CCC(=N)Nc1cc(F)cc(F)c1F ZINC000062987909 343747091 /nfs/dbraw/zinc/74/70/91/343747091.db2.gz MZADFINPTKBYDV-UHFFFAOYSA-N 0 0 202.179 2.503 10 30 BFEERN CC(C)(C)OC(=O)N1c2ccccc2C[C@@H]1C=O ZINC000117023325 343786769 /nfs/dbraw/zinc/78/67/69/343786769.db2.gz BZAOWIAMNHJVCT-LLVKDONJSA-N 0 0 247.294 2.552 10 30 BFEERN CCCn1cc(C#N)c(=O)c2cc(C)cc(C)c21 ZINC000072236959 187276735 /nfs/dbraw/zinc/27/67/35/187276735.db2.gz WKPWIHCGRWJBRU-UHFFFAOYSA-N 0 0 240.306 2.900 10 30 BFEERN C#CC(C)(C)Oc1cccc(Br)n1 ZINC000135118360 343938160 /nfs/dbraw/zinc/93/81/60/343938160.db2.gz XEJHMYOFJMHZFK-UHFFFAOYSA-N 0 0 240.100 2.635 10 30 BFEERN C[C@@H](O)C#Cc1ccc(Cl)c(Cl)c1 ZINC000022203305 343926518 /nfs/dbraw/zinc/92/65/18/343926518.db2.gz GSGNQJWHQDHBFE-SSDOTTSWSA-N 0 0 215.079 2.726 10 30 BFEERN C#CC[C@@H](C)Nc1ncc(Cl)s1 ZINC000307462229 343935500 /nfs/dbraw/zinc/93/55/00/343935500.db2.gz FYIGFDXJUISICE-ZCFIWIBFSA-N 0 0 200.694 2.620 10 30 BFEERN C#C[C@@H](C)Nc1ccccc1Br ZINC000135162755 343955325 /nfs/dbraw/zinc/95/53/25/343955325.db2.gz NHZIYJPPANXKRC-MRVPVSSYSA-N 0 0 224.101 2.883 10 30 BFEERN C[C@H](O)c1ccncc1-c1ccc(C#N)cc1 ZINC000166823613 343957557 /nfs/dbraw/zinc/95/75/57/343957557.db2.gz BKCWSGPLVZTYEZ-JTQLQIEISA-N 0 0 224.263 2.674 10 30 BFEERN COc1ccc(Br)c(CCC=O)c1 ZINC000083709913 187285531 /nfs/dbraw/zinc/28/55/31/187285531.db2.gz HJMPBKZPGSZVOQ-UHFFFAOYSA-N 0 0 243.100 2.589 10 30 BFEERN CCC(CC)c1noc(-c2ccc(C#N)cn2)n1 ZINC000395173951 344116891 /nfs/dbraw/zinc/11/68/91/344116891.db2.gz BMEWIGHFLUPYSY-UHFFFAOYSA-N 0 0 242.282 2.907 10 30 BFEERN C=C[C@@H](C)Sc1sc(N)nc1C ZINC000052142494 187358055 /nfs/dbraw/zinc/35/80/55/187358055.db2.gz VRNADCJWTUUTAH-RXMQYKEDSA-N 0 0 200.332 2.700 10 30 BFEERN N#Cc1cncc(OC2CC2)c1C(F)(F)F ZINC000095736377 187288069 /nfs/dbraw/zinc/28/80/69/187288069.db2.gz DEGCJHLCKKOQLZ-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN CCOC(=O)c1cc2c(cccc2C#N)s1 ZINC000144727791 344119091 /nfs/dbraw/zinc/11/90/91/344119091.db2.gz PQKQTYBVIHPODG-UHFFFAOYSA-N 0 0 231.276 2.950 10 30 BFEERN CC(C)Cc1ccc(CCC(=O)N(C)O)cc1 ZINC000026253536 344131636 /nfs/dbraw/zinc/13/16/36/344131636.db2.gz QVLFOJMZUOQDDH-UHFFFAOYSA-N 0 0 235.327 2.665 10 30 BFEERN CC(C)(C)C#Cc1cc(C2CC2)ncn1 ZINC000585143712 344178104 /nfs/dbraw/zinc/17/81/04/344178104.db2.gz IHDXHESEGXFPCU-UHFFFAOYSA-N 0 0 200.285 2.752 10 30 BFEERN C#CC(C)(C)OCc1cccnc1Cl ZINC000165953723 344247697 /nfs/dbraw/zinc/24/76/97/344247697.db2.gz GUJUEGKSDGHKON-UHFFFAOYSA-N 0 0 209.676 2.663 10 30 BFEERN CC(C)=CC(=O)c1ccc2c(c1)NCC2 ZINC000135436453 344275061 /nfs/dbraw/zinc/27/50/61/344275061.db2.gz YCFZNLRVIDUDBY-UHFFFAOYSA-N 0 0 201.269 2.804 10 30 BFEERN N#Cc1cc(C=O)ccc1Oc1cccnc1 ZINC000145591074 344327030 /nfs/dbraw/zinc/32/70/30/344327030.db2.gz PAIHIVPYKQAWFU-UHFFFAOYSA-N 0 0 224.219 2.558 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1Sc1ncc[nH]1 ZINC000236171297 344306146 /nfs/dbraw/zinc/30/61/46/344306146.db2.gz VWPGDPITRLKONX-IUCAKERBSA-N 0 0 207.302 2.584 10 30 BFEERN FC(F)=C1OC(F)(F)[C@](F)(C(F)(F)F)O1 ZINC000100424240 187290595 /nfs/dbraw/zinc/29/05/95/187290595.db2.gz RFJVDJWCXSPUBY-VKHMYHEASA-N 0 0 244.037 2.920 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1Sc1ncc[nH]1 ZINC000236173273 344307977 /nfs/dbraw/zinc/30/79/77/344307977.db2.gz VWPGDPITRLKONX-DTWKUNHWSA-N 0 0 207.302 2.584 10 30 BFEERN Cc1nc(C#N)cc(CC2CCCCC2)n1 ZINC000409436939 344462887 /nfs/dbraw/zinc/46/28/87/344462887.db2.gz AKMRZLNIJGTVKW-UHFFFAOYSA-N 0 0 215.300 2.780 10 30 BFEERN N#Cc1cc(Cl)cnc1N1CCCCC1 ZINC000409438582 344463406 /nfs/dbraw/zinc/46/34/06/344463406.db2.gz DELJKHJIJLNYNS-UHFFFAOYSA-N 0 0 221.691 2.597 10 30 BFEERN N#Cc1ccc(Cl)c([N+](=O)[O-])c1Cl ZINC000306903497 344474884 /nfs/dbraw/zinc/47/48/84/344474884.db2.gz SFGSGROIVSIKRT-UHFFFAOYSA-N 0 0 217.011 2.773 10 30 BFEERN N#Cc1cnc(N[C@@H]2CCC[C@@H]2C#N)c(Cl)c1 ZINC000408328669 344507514 /nfs/dbraw/zinc/50/75/14/344507514.db2.gz KDQZMEAQFPDLAH-MWLCHTKSSA-N 0 0 246.701 2.711 10 30 BFEERN CC(C)[C@H](C)N[C@H](C#N)Cc1ccccc1 ZINC000381511558 344514951 /nfs/dbraw/zinc/51/49/51/344514951.db2.gz RDCBDMIPPWPVBR-JSGCOSHPSA-N 0 0 216.328 2.755 10 30 BFEERN C[C@H]1CCC[C@@](Br)(C#N)C1 ZINC000127609402 344573255 /nfs/dbraw/zinc/57/32/55/344573255.db2.gz RTHISMPAGWLZPM-YUMQZZPRSA-N 0 0 202.095 2.854 10 30 BFEERN CC(C)(C)CC#C[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000029400739 344595838 /nfs/dbraw/zinc/59/58/38/344595838.db2.gz XBRILQZFKNUQAJ-GHMZBOCLSA-N 0 0 202.301 2.953 10 30 BFEERN C[C@H]1CCCC[C@]1(Br)C#N ZINC000127661257 344585460 /nfs/dbraw/zinc/58/54/60/344585460.db2.gz RSCCYQATYTUPSN-YUMQZZPRSA-N 0 0 202.095 2.854 10 30 BFEERN N#CCc1cc(OC(F)F)cc(F)c1F ZINC000396123294 344608994 /nfs/dbraw/zinc/60/89/94/344608994.db2.gz CXJAYTKOLDRPOD-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN Cc1cc([N+](=O)[O-])c(Br)cc1C#N ZINC000306999528 344658582 /nfs/dbraw/zinc/65/85/82/344658582.db2.gz HFWXZDDCUFROJI-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN C[C@](Br)(C#N)C1CCCC1 ZINC000127716028 344621845 /nfs/dbraw/zinc/62/18/45/344621845.db2.gz PCKLUPDBKDLOPF-QMMMGPOBSA-N 0 0 202.095 2.854 10 30 BFEERN N#Cc1cc(Cl)c(OC(F)(F)F)cc1N ZINC000396155993 344622243 /nfs/dbraw/zinc/62/22/43/344622243.db2.gz RQMPNICHFFYGNF-UHFFFAOYSA-N 0 0 236.580 2.692 10 30 BFEERN C=C[C@H](NN)c1ccc(Cl)cc1Cl ZINC000158420204 344646746 /nfs/dbraw/zinc/64/67/46/344646746.db2.gz ONTVZPSWZSDKOC-VIFPVBQESA-N 0 0 217.099 2.684 10 30 BFEERN CCO/C=C/C(=O)C(C)(C)C(F)(F)F ZINC000115506399 344710722 /nfs/dbraw/zinc/71/07/22/344710722.db2.gz VHSPBUREJYUINQ-AATRIKPKSA-N 0 0 210.195 2.694 10 30 BFEERN C[C@@H](C#N)C(=O)c1csc(Br)c1 ZINC000235072941 344762986 /nfs/dbraw/zinc/76/29/86/344762986.db2.gz XUVJPFPVNAPHTA-YFKPBYRVSA-N 0 0 244.113 2.853 10 30 BFEERN C[C@@H](CC#N)C(=O)c1cc(F)cc(F)c1 ZINC000235087127 344775470 /nfs/dbraw/zinc/77/54/70/344775470.db2.gz MXLYARHCONPOCI-ZETCQYMHSA-N 0 0 209.195 2.697 10 30 BFEERN O=CCCc1c(F)c(F)c(F)c(F)c1F ZINC000106490966 323077572 /nfs/dbraw/zinc/07/75/72/323077572.db2.gz MWGBJPJOEPVDDN-UHFFFAOYSA-N 0 0 224.128 2.514 10 30 BFEERN CC(C)(C)[C@@H]1CCCC[C@@H]1OS(C)(=O)=O ZINC000166202358 344787739 /nfs/dbraw/zinc/78/77/39/344787739.db2.gz ZGMKTHOQALOUIA-ZJUUUORDSA-N 0 0 234.361 2.568 10 30 BFEERN Nc1cc(F)cc(C(=O)C2=CCCC2)c1 ZINC000166267381 344836256 /nfs/dbraw/zinc/83/62/56/344836256.db2.gz WVMQJUTWCMNYHJ-UHFFFAOYSA-N 0 0 205.232 2.701 10 30 BFEERN CCN(CCC#N)[C@@H](CC#N)c1ccccc1 ZINC000055020549 169816048 /nfs/dbraw/zinc/81/60/48/169816048.db2.gz CVDGZMKJOOLRLM-AWEZNQCLSA-N 0 0 227.311 2.877 10 30 BFEERN CCOC(=O)CC1([C@H]2CO2)CCC(C)CC1 ZINC000675053283 537866464 /nfs/dbraw/zinc/86/64/64/537866464.db2.gz MEWWKDXPRMVRFF-QWKFWESOSA-N 0 0 226.316 2.535 10 30 BFEERN C[C@@H](S)C(=O)N[C@H](C)c1ccc(Cl)s1 ZINC000235291582 344875059 /nfs/dbraw/zinc/87/50/59/344875059.db2.gz GVRSHFPEZWRPFJ-PHDIDXHHSA-N 0 0 249.788 2.897 10 30 BFEERN Cc1cc(Cl)cc2c(N)c(C#N)cnc12 ZINC000050842726 187295925 /nfs/dbraw/zinc/29/59/25/187295925.db2.gz REPCLZYRKVXBSX-UHFFFAOYSA-N 0 0 217.659 2.651 10 30 BFEERN O=C1C=C(Cc2c(F)cccc2F)CC1 ZINC000166733582 345003385 /nfs/dbraw/zinc/00/33/85/345003385.db2.gz ZRIFSZOXNPMYKX-UHFFFAOYSA-N 0 0 208.207 2.797 10 30 BFEERN N#CCc1cc(Cl)ncc1OC(F)(F)F ZINC000238541939 345073620 /nfs/dbraw/zinc/07/36/20/345073620.db2.gz DLSFIFXUOQQPAV-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN CCc1ccc([C@H]2CCCCN2CC#N)o1 ZINC000124825862 345054632 /nfs/dbraw/zinc/05/46/32/345054632.db2.gz DTUXKRZGWJZFNG-GFCCVEGCSA-N 0 0 218.300 2.893 10 30 BFEERN Cc1ccc(SC[C@@](C)(N)C#N)cc1C ZINC000045218970 178828175 /nfs/dbraw/zinc/82/81/75/178828175.db2.gz IYKGPFXHMQCARG-LBPRGKRZSA-N 0 0 220.341 2.637 10 30 BFEERN C[C@@H]1CC[C@H](c2ncc(C#N)c(Cl)n2)C1 ZINC000307195080 345165210 /nfs/dbraw/zinc/16/52/10/345165210.db2.gz QSBBWTWXAZKLCK-SFYZADRCSA-N 0 0 221.691 2.905 10 30 BFEERN C=C(C)CC(=O)[C@@H]1Cc2ccccc2N1 ZINC000226770731 345241022 /nfs/dbraw/zinc/24/10/22/345241022.db2.gz SDTLKHVGRVKNNP-LBPRGKRZSA-N 0 0 201.269 2.559 10 30 BFEERN C=CCC(=O)c1cc(N)ccc1Br ZINC000226804271 345242010 /nfs/dbraw/zinc/24/20/10/345242010.db2.gz SQHMHJSYBPFJOC-UHFFFAOYSA-N 0 0 240.100 2.790 10 30 BFEERN C#CC[C@@H](N)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000226829572 345243757 /nfs/dbraw/zinc/24/37/57/345243757.db2.gz FNIGCUQBUNKZFE-SNVBAGLBSA-N 0 0 242.105 2.527 10 30 BFEERN N#C[C@@]1(Br)CCOc2ccccc21 ZINC000127606621 345203612 /nfs/dbraw/zinc/20/36/12/345203612.db2.gz LKNOMCPZNWCRJE-JTQLQIEISA-N 0 0 238.084 2.583 10 30 BFEERN C=CCCC(=O)c1ccc(OC)cc1OC ZINC000168411561 345316283 /nfs/dbraw/zinc/31/62/83/345316283.db2.gz FUBAZFDBZNWJMZ-UHFFFAOYSA-N 0 0 220.268 2.853 10 30 BFEERN C=C[C@](C)(CC)C(=O)N1CCS[C@@H](C)C1 ZINC000135020337 345429632 /nfs/dbraw/zinc/42/96/32/345429632.db2.gz VUOPTRNUDMCRRC-CMPLNLGQSA-N 0 0 227.373 2.553 10 30 BFEERN COc1cc(OC)cc(C(=O)C=C(C)C)c1 ZINC000169155028 345437377 /nfs/dbraw/zinc/43/73/77/345437377.db2.gz VTSAVTUPALHEAF-UHFFFAOYSA-N 0 0 220.268 2.853 10 30 BFEERN C#CC[C@H](CC)Nc1nc(Cl)ncc1C ZINC000229318880 345503699 /nfs/dbraw/zinc/50/36/99/345503699.db2.gz DCJXREAVXSLFGG-VIFPVBQESA-N 0 0 223.707 2.652 10 30 BFEERN CC[C@@](C)(C#N)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000136209738 345487924 /nfs/dbraw/zinc/48/79/24/345487924.db2.gz USHFEIFLITUTCH-MFKMUULPSA-N 0 0 234.299 2.705 10 30 BFEERN CC(=NNC(N)=S)c1ccc(C(C)(C)C)cc1 ZINC000252447350 345519421 /nfs/dbraw/zinc/51/94/21/345519421.db2.gz JHESMDRAHQLJII-UHFFFAOYSA-N 0 0 249.383 2.541 10 30 BFEERN C[C@@H](C#N)Nc1ccc(F)c(Br)c1 ZINC000159928495 345613371 /nfs/dbraw/zinc/61/33/71/345613371.db2.gz FINHFZPNIWWSQJ-LURJTMIESA-N 0 0 243.079 2.912 10 30 BFEERN COc1cc(C)c([C@H](C#N)C(C)=O)cc1C ZINC000033994277 345814841 /nfs/dbraw/zinc/81/48/41/345814841.db2.gz VQRCPADFMZSKFC-GFCCVEGCSA-N 0 0 217.268 2.508 10 30 BFEERN Cc1cc([N+](=O)[O-])cc(C#N)c1Br ZINC000307439784 345786852 /nfs/dbraw/zinc/78/68/52/345786852.db2.gz WDURBDXPFMIUQP-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN C#Cc1ccnc2ccc(Br)cc12 ZINC000307452020 345793882 /nfs/dbraw/zinc/79/38/82/345793882.db2.gz UHPPEIIGVBHKRZ-UHFFFAOYSA-N 0 0 232.080 2.979 10 30 BFEERN C/C(=N\[S@](=O)C(C)(C)C)c1ccccc1 ZINC000136718396 345799284 /nfs/dbraw/zinc/79/92/84/345799284.db2.gz ZLLYZGSBXIAKFQ-VOMSXAGXSA-N 0 0 223.341 2.958 10 30 BFEERN C=C[C@H](C)OP(=O)(OCC)OCC ZINC000136012470 345801132 /nfs/dbraw/zinc/80/11/32/345801132.db2.gz IREHQXISXWSCNJ-QMMMGPOBSA-N 0 0 208.194 2.759 10 30 BFEERN C=CCC[C@@H]1CCCC(C(=O)OCC)=C1O ZINC000197166758 345842542 /nfs/dbraw/zinc/84/25/42/345842542.db2.gz NBWDGGPAJJEMLO-GHMZBOCLSA-N 0 0 224.300 2.501 10 30 BFEERN C=CCc1cc(C(=O)OC)cc(CC=C)c1O ZINC000137354592 345842642 /nfs/dbraw/zinc/84/26/42/345842642.db2.gz DBUOYPHKCIPNJK-UHFFFAOYSA-N 0 0 232.279 2.636 10 30 BFEERN C=CCCc1nc2ccc(C=O)cc2o1 ZINC000219999934 345860664 /nfs/dbraw/zinc/86/06/64/345860664.db2.gz UEKMYVDOFUKUAI-UHFFFAOYSA-N 0 0 201.225 2.759 10 30 BFEERN C#CCn1c2ccccc2c2ccccc2c1=O ZINC000034406101 345826912 /nfs/dbraw/zinc/82/69/12/345826912.db2.gz QFZSWGXJGXPYMJ-UHFFFAOYSA-N 0 0 233.270 2.788 10 30 BFEERN C=CCOP(=O)(OCC=C)C(F)F ZINC000034503273 345829520 /nfs/dbraw/zinc/82/95/20/345829520.db2.gz AXSDVVFIIDAHRK-UHFFFAOYSA-N 0 0 212.132 2.807 10 30 BFEERN C=CCOc1cc(C)c(C)cc1C(=O)OC ZINC000034453079 345834224 /nfs/dbraw/zinc/83/42/24/345834224.db2.gz DGKKRSBDDIDQNR-UHFFFAOYSA-N 0 0 220.268 2.655 10 30 BFEERN C=CCc1cc2c(cc1O)C(C)(C)[C@H](CCO)O2 ZINC000034490745 345835878 /nfs/dbraw/zinc/83/58/78/345835878.db2.gz CPDKGVZGVIYGJH-AWEZNQCLSA-N 0 0 248.322 2.542 10 30 BFEERN OCCC#Cc1ccc(-c2ccc(O)cc2)cc1 ZINC000143528168 345866310 /nfs/dbraw/zinc/86/63/10/345866310.db2.gz WEVCWEKXMZSFBL-UHFFFAOYSA-N 0 0 238.286 2.793 10 30 BFEERN Cc1cccc(C(=O)CC#N)c1Br ZINC000235776547 345868206 /nfs/dbraw/zinc/86/82/06/345868206.db2.gz SAOTUFZMRBOYHD-UHFFFAOYSA-N 0 0 238.084 2.854 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1Nc1ncc(Cl)s1 ZINC000307659093 345876496 /nfs/dbraw/zinc/87/64/96/345876496.db2.gz CISGPOFHWHXFQT-BQBZGAKWSA-N 0 0 227.720 2.901 10 30 BFEERN CCC[C@@H](C)/C(=N/[S@](=O)C(C)(C)C)OC ZINC000143679024 345909974 /nfs/dbraw/zinc/90/99/74/345909974.db2.gz ZENRXCZMQMNPAZ-CGJRDGHSSA-N 0 0 233.377 2.930 10 30 BFEERN CCOC(=O)/C(Cl)=N/c1ccccc1C ZINC000144576540 345922856 /nfs/dbraw/zinc/92/28/56/345922856.db2.gz AVVOLRXGCMMGSM-RAXLEYEMSA-N 0 0 225.675 2.827 10 30 BFEERN Cc1csc(C(=O)C(C#N)C#N)c1Cl ZINC000235825629 345937496 /nfs/dbraw/zinc/93/74/96/345937496.db2.gz NEKXDFDZMXCNTJ-UHFFFAOYSA-N 0 0 224.672 2.556 10 30 BFEERN N#Cc1cc(-n2cc(-c3ccccc3)cn2)ccn1 ZINC000061815250 345951805 /nfs/dbraw/zinc/95/18/05/345951805.db2.gz IJJPITVNYWUMHH-UHFFFAOYSA-N 0 0 246.273 2.806 10 30 BFEERN C=C(C)C(=O)Oc1cccc2cccnc21 ZINC000005194907 187363482 /nfs/dbraw/zinc/36/34/82/187363482.db2.gz WOCXVYHJGQMHTR-UHFFFAOYSA-N 0 0 213.236 2.716 10 30 BFEERN CCC[C@H](C#Cc1ccccc1)OC(C)=O ZINC000005310991 187363618 /nfs/dbraw/zinc/36/36/18/187363618.db2.gz NNLYRVYRJDIYLD-CQSZACIVSA-N 0 0 216.280 2.770 10 30 BFEERN C=C[C@](C)(OCC)[C@](C)(O)CCCC ZINC000005310187 187363682 /nfs/dbraw/zinc/36/36/82/187363682.db2.gz XOBKUCHMISOQSI-NEPJUHHUSA-N 0 0 200.322 2.909 10 30 BFEERN COc1cccc(C#Cc2cccc(C)n2)c1 ZINC000013487233 187363923 /nfs/dbraw/zinc/36/39/23/187363923.db2.gz STDHINPODVHROK-UHFFFAOYSA-N 0 0 223.275 2.798 10 30 in-vivo BFEERN Cc1ccc(SCCC/C(N)=N/O)cc1 ZINC000019847749 187314217 /nfs/dbraw/zinc/31/42/17/187314217.db2.gz BKABMKZARBDVLW-UHFFFAOYSA-N 0 0 224.329 2.614 10 30 BFEERN Cc1nc(CC(=O)C2=CCCC2)sc1C ZINC000235962237 346176046 /nfs/dbraw/zinc/17/60/46/346176046.db2.gz BAYLGPXAUWOFIK-UHFFFAOYSA-N 0 0 221.325 2.982 10 30 BFEERN C=Cc1c(C#N)cnc2ccc(OC)cc21 ZINC000149748349 346151838 /nfs/dbraw/zinc/15/18/38/346151838.db2.gz NWMXWYGJPOKJKV-UHFFFAOYSA-N 0 0 210.236 2.758 10 30 BFEERN C#CC[C@@H](O)c1cccc(Br)c1F ZINC000236552041 346249885 /nfs/dbraw/zinc/24/98/85/346249885.db2.gz BUEPZVHZPIEICQ-SECBINFHSA-N 0 0 243.075 2.645 10 30 BFEERN C=C(Cl)CNc1ccnc(Cl)c1 ZINC000229727903 346457856 /nfs/dbraw/zinc/45/78/56/346457856.db2.gz RDBBFZGDXTZBME-UHFFFAOYSA-N 0 0 203.072 2.899 10 30 BFEERN CC(C)=CC(=O)c1snnc1C(C)(C)C ZINC000161089049 346475357 /nfs/dbraw/zinc/47/53/57/346475357.db2.gz PJALYAGOPOFJKP-UHFFFAOYSA-N 0 0 224.329 2.985 10 30 BFEERN Cc1ccc(Cl)c(NC(=O)CS)c1 ZINC000148954865 346501073 /nfs/dbraw/zinc/50/10/73/346501073.db2.gz UBZJYHIDZCXKFY-UHFFFAOYSA-N 0 0 215.705 2.517 10 30 BFEERN O/N=C1/c2cc(F)ccc2CCc2ncccc21 ZINC000165732704 346657088 /nfs/dbraw/zinc/65/70/88/346657088.db2.gz ASYFSKDLZYLMNQ-SAPNQHFASA-N 0 0 242.253 2.546 10 30 BFEERN CN[C@H](C#N)c1ccc(C)c(Br)c1 ZINC000164768156 346624109 /nfs/dbraw/zinc/62/41/09/346624109.db2.gz MJKPIWVGORCKKY-SNVBAGLBSA-N 0 0 239.116 2.542 10 30 BFEERN Cc1cccnc1SCc1ccnc(C#N)c1 ZINC000588106065 346634925 /nfs/dbraw/zinc/63/49/25/346634925.db2.gz UQHLBPWQXWRXCR-UHFFFAOYSA-N 0 0 241.319 2.949 10 30 BFEERN CO/N=C1\CCc2c1ccc(F)c2C1CC1 ZINC000167264862 346703065 /nfs/dbraw/zinc/70/30/65/346703065.db2.gz QOIGPJPXVGGKOV-NTCAYCPXSA-N 0 0 219.259 3.000 10 30 BFEERN C#CCC(C)(C)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000184358577 347159413 /nfs/dbraw/zinc/15/94/13/347159413.db2.gz FVXBSLNZGOKQAQ-LLVKDONJSA-N 0 0 233.311 2.815 10 30 BFEERN c1ccc(CO[C@H]2CC[C@@H]3O[C@@H]3C2)cc1 ZINC000039306813 347189180 /nfs/dbraw/zinc/18/91/80/347189180.db2.gz ZKCGXZHSOARULJ-RWMBFGLXSA-N 0 0 204.269 2.523 10 30 BFEERN Cc1cccc([C@H](C#N)NCC(F)(F)F)c1 ZINC000037970862 179191885 /nfs/dbraw/zinc/19/18/85/179191885.db2.gz PUUXSIPRSXUBTK-JTQLQIEISA-N 0 0 228.217 2.712 10 30 BFEERN COC(=O)C[C@@]1([C@H]2CO2)CCCC(C)(C)C1 ZINC000675055299 537989117 /nfs/dbraw/zinc/98/91/17/537989117.db2.gz ZRDZBHURRUYZRD-MFKMUULPSA-N 0 0 226.316 2.535 10 30 BFEERN Cc1nc([C@@H]2CCCN2CCCC#N)cs1 ZINC000189812308 347311131 /nfs/dbraw/zinc/31/11/31/347311131.db2.gz DKYXFZDQUKGZQQ-LBPRGKRZSA-N 0 0 235.356 2.892 10 30 BFEERN CCCC(=O)[C@H](C#N)c1ccc(OC)c(OC)c1 ZINC000037346427 168570910 /nfs/dbraw/zinc/57/09/10/168570910.db2.gz NWSHWWYXTGLXTN-LLVKDONJSA-N 0 0 247.294 2.680 10 30 BFEERN Cc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1F ZINC000110976755 347472635 /nfs/dbraw/zinc/47/26/35/347472635.db2.gz SQZVWLQCJSHQFD-GXTWGEPZSA-N 0 0 232.302 2.916 10 30 BFEERN Cc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1F ZINC000110976753 347473187 /nfs/dbraw/zinc/47/31/87/347473187.db2.gz SQZVWLQCJSHQFD-OCCSQVGLSA-N 0 0 232.302 2.916 10 30 BFEERN Cc1ccc2c(c1)C(=O)C=C([O-])C2(C)C ZINC000196148830 347806649 /nfs/dbraw/zinc/80/66/49/347806649.db2.gz AAFBPBOTHSMAQV-UHFFFAOYSA-N 0 0 202.253 2.754 10 30 BFEERN CC[C@@H](C#N)C(=O)c1cc2c(s1)CCC2 ZINC000036915856 347963708 /nfs/dbraw/zinc/96/37/08/347963708.db2.gz XVHJINRFIQJFMC-QMMMGPOBSA-N 0 0 219.309 2.969 10 30 BFEERN C[C@@H](C#N)C(=O)c1cc(Cl)ccc1F ZINC000036935089 347964066 /nfs/dbraw/zinc/96/40/66/347964066.db2.gz FSGOYPDFCRHRPF-LURJTMIESA-N 0 0 211.623 2.821 10 30 BFEERN C[C@@H](C#N)C(=O)c1ccccc1Br ZINC000036935060 347964174 /nfs/dbraw/zinc/96/41/74/347964174.db2.gz FHGVPROJBRTCGZ-ZETCQYMHSA-N 0 0 238.084 2.791 10 30 BFEERN C[C@H](C#N)NC(=O)c1cccc(C(C)(C)C)c1 ZINC000594002726 347983323 /nfs/dbraw/zinc/98/33/23/347983323.db2.gz WRFJJXHDULLHBT-SNVBAGLBSA-N 0 0 230.311 2.626 10 30 BFEERN Cc1cccnc1-n1c2ccccc2nc1CC#N ZINC000104335156 179359141 /nfs/dbraw/zinc/35/91/41/179359141.db2.gz CGHWJRUUUUGJFM-UHFFFAOYSA-N 0 0 248.289 2.795 10 30 BFEERN C[C@H](C#N)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051609399 349983611 /nfs/dbraw/zinc/98/36/11/349983611.db2.gz HNPHYFNCFNJNEJ-ZCFIWIBFSA-N 0 0 226.619 2.539 10 30 BFEERN CCC#C[C@@H](C)N[C@H](C)c1csc(C)n1 ZINC000389624501 537999968 /nfs/dbraw/zinc/99/99/68/537999968.db2.gz JWSLWWHZKKMNGO-NXEZZACHSA-N 0 0 222.357 2.904 10 30 BFEERN Cc1ccc(F)c(Br)c1CC#N ZINC000216524671 349989412 /nfs/dbraw/zinc/98/94/12/349989412.db2.gz FPLKISYNFMVBSY-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN Cc1c(Br)cc(F)cc1CC#N ZINC000216524475 349989564 /nfs/dbraw/zinc/98/95/64/349989564.db2.gz WJCWAVXVFROLFR-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN Cc1ccc(Br)c(CC#N)c1O ZINC000216413219 350000100 /nfs/dbraw/zinc/00/01/00/350000100.db2.gz YAZJJUXPZSRUQE-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN N#CCc1cccc(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597148194 348664928 /nfs/dbraw/zinc/66/49/28/348664928.db2.gz SQNDRPYZMQWWJM-LSDHHAIUSA-N 0 0 242.322 2.732 10 30 BFEERN Nc1cccc(C#Cc2ccc(F)cc2)c1 ZINC000037471001 348612945 /nfs/dbraw/zinc/61/29/45/348612945.db2.gz XBKVTMPLFNPJLY-UHFFFAOYSA-N 0 0 211.239 2.808 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000597339786 348720583 /nfs/dbraw/zinc/72/05/83/348720583.db2.gz NZAQEVMZQHFBTF-RWMBFGLXSA-N 0 0 246.354 2.765 10 30 BFEERN CC(C)(C)c1[nH]c2ncccc2c1CC#N ZINC000198954343 349052588 /nfs/dbraw/zinc/05/25/88/349052588.db2.gz GQNQDDVKFKTNSL-UHFFFAOYSA-N 0 0 213.284 2.926 10 30 BFEERN C[C@H](C=O)Sc1nccc2ccccc21 ZINC000616573540 349071468 /nfs/dbraw/zinc/07/14/68/349071468.db2.gz SLCASJUQAUPYLR-SECBINFHSA-N 0 0 217.293 2.914 10 30 BFEERN C[C@H](C=O)Sc1cc(F)ccc1F ZINC000616573545 349071490 /nfs/dbraw/zinc/07/14/90/349071490.db2.gz STQDCCRGHQSQTE-ZCFIWIBFSA-N 0 0 202.225 2.644 10 30 BFEERN CCN(CC)c1oc(CC(C)C)nc1C#N ZINC000616574906 349082909 /nfs/dbraw/zinc/08/29/09/349082909.db2.gz ZUNITJIRAFLAJH-UHFFFAOYSA-N 0 0 221.304 2.591 10 30 BFEERN C[C@H](C=O)Sc1nc2ccccc2o1 ZINC000616572797 349063694 /nfs/dbraw/zinc/06/36/94/349063694.db2.gz OSKTVLAXBIDUHK-SSDOTTSWSA-N 0 0 207.254 2.507 10 30 BFEERN CC(=O)Nc1ccc2c(c1)CCC[C@@H]2C#N ZINC000059429560 349221400 /nfs/dbraw/zinc/22/14/00/349221400.db2.gz ZDZWHUBLDZGZGV-LLVKDONJSA-N 0 0 214.268 2.588 10 30 BFEERN Cc1nc(-c2cc(CS)no2)sc1C ZINC000725253098 538036389 /nfs/dbraw/zinc/03/63/89/538036389.db2.gz WKBUZKWIDVRXTB-UHFFFAOYSA-N 0 0 226.326 2.845 10 30 BFEERN O[C@@H](CC#CCc1ccccc1)C(F)(F)F ZINC000616581462 349264187 /nfs/dbraw/zinc/26/41/87/349264187.db2.gz SGHPWSJDDJHGKE-NSHDSACASA-N 0 0 228.213 2.546 10 30 BFEERN Cc1ccc(C(=O)c2cc(CC#N)n(C)c2)cc1 ZINC000060237540 349281878 /nfs/dbraw/zinc/28/18/78/349281878.db2.gz NMARNMXTMHSQJP-UHFFFAOYSA-N 0 0 238.290 2.631 10 30 BFEERN Fc1ccc2c(c1)Cc1c(CS)noc1-2 ZINC000725253903 538039148 /nfs/dbraw/zinc/03/91/48/538039148.db2.gz QHYXFENOOGAAOP-UHFFFAOYSA-N 0 0 221.256 2.815 10 30 BFEERN Cc1ccc2c(c1)-c1onc(CS)c1C2 ZINC000725253939 538041315 /nfs/dbraw/zinc/04/13/15/538041315.db2.gz SKFDPDHUBMUKDB-UHFFFAOYSA-N 0 0 217.293 2.984 10 30 BFEERN Cc1ccncc1N[C@H]1CCC[C@H](C#N)C1 ZINC000185868499 349375297 /nfs/dbraw/zinc/37/52/97/349375297.db2.gz SAAFSLSWEBDPTJ-RYUDHWBXSA-N 0 0 215.300 2.884 10 30 BFEERN N#C[C@@H](NCC(F)(F)F)c1ccc(F)cc1 ZINC000037971025 190991943 /nfs/dbraw/zinc/99/19/43/190991943.db2.gz XBUBPRBKBNUQGY-SECBINFHSA-N 0 0 232.180 2.542 10 30 BFEERN CCC(=O)OCCCCCCCCC=O ZINC000217737985 350070949 /nfs/dbraw/zinc/07/09/49/350070949.db2.gz RJPKZOYDFDYDQC-UHFFFAOYSA-N 0 0 214.305 2.869 10 30 BFEERN CCOC(=O)[C@](C)(CC#N)Cc1ccccc1 ZINC000039187093 350113275 /nfs/dbraw/zinc/11/32/75/350113275.db2.gz YMICGMAWLOFBIO-CQSZACIVSA-N 0 0 231.295 2.712 10 30 BFEERN CCOC(=O)[C@@](C)(CC#N)Cc1ccccc1 ZINC000039187092 350113583 /nfs/dbraw/zinc/11/35/83/350113583.db2.gz YMICGMAWLOFBIO-AWEZNQCLSA-N 0 0 231.295 2.712 10 30 BFEERN COc1cc([C@@H]2CC/C2=N\O)c(OC)cc1C ZINC000218331814 350089332 /nfs/dbraw/zinc/08/93/32/350089332.db2.gz KCAPWOQRZJMRJX-YANUDECOSA-N 0 0 235.283 2.720 10 30 BFEERN CC(C)(C)OC(=O)N1CC=C(C2(C#N)CCC2)C1 ZINC000218531646 350094810 /nfs/dbraw/zinc/09/48/10/350094810.db2.gz SZSDHNKSVXSVEI-UHFFFAOYSA-N 0 0 248.326 2.857 10 30 BFEERN N#C[C@H](O[C@H]1CCCCO1)c1ccccc1 ZINC000038221359 350112633 /nfs/dbraw/zinc/11/26/33/350112633.db2.gz MVSFLKZTEIXNEN-STQMWFEESA-N 0 0 217.268 2.794 10 30 BFEERN Cc1nc(SCCCC#N)nc(C)c1C ZINC000095082464 180030940 /nfs/dbraw/zinc/03/09/40/180030940.db2.gz LZNQBSFETHQVDY-UHFFFAOYSA-N 0 0 221.329 2.798 10 30 BFEERN c1ccc(COCCCC[C@@H]2CO2)cc1 ZINC000034329943 350169089 /nfs/dbraw/zinc/16/90/89/350169089.db2.gz YQJNAANKVUNKKC-CYBMUJFWSA-N 0 0 206.285 2.772 10 30 BFEERN Cc1nccn1-c1ccc(C#N)cc1Cl ZINC000062793874 180229196 /nfs/dbraw/zinc/22/91/96/180229196.db2.gz BXXOBMZWKHQNCE-UHFFFAOYSA-N 0 0 217.659 2.706 10 30 BFEERN CC(C)c1nsc(N[C@@H]2CCC[C@@H]2C#N)n1 ZINC000309309568 350274203 /nfs/dbraw/zinc/27/42/03/350274203.db2.gz BORHRKNQFOMHII-RKDXNWHRSA-N 0 0 236.344 2.766 10 30 BFEERN CC[C@H](CC#N)n1cc(Br)cn1 ZINC000038054268 350300969 /nfs/dbraw/zinc/30/09/69/350300969.db2.gz MVAGOGFMNRISSJ-MRVPVSSYSA-N 0 0 228.093 2.510 10 30 BFEERN Cc1nn(C)c(C)c1[C@@H](C#N)NC1CCCCC1 ZINC000037969554 180347898 /nfs/dbraw/zinc/34/78/98/180347898.db2.gz NGQZMECRQXKBCZ-CYBMUJFWSA-N 0 0 246.358 2.524 10 30 BFEERN C#CCn1nc(-c2cccs2)cc1CC ZINC000409439138 350481192 /nfs/dbraw/zinc/48/11/92/350481192.db2.gz HGVCXJUVELBXPT-UHFFFAOYSA-N 0 0 216.309 2.807 10 30 BFEERN CC(C)=CC(=O)[C@H]1SCCS[C@H]1C ZINC000228075845 350526727 /nfs/dbraw/zinc/52/67/27/350526727.db2.gz AGAVQAWZAOJSAC-WPRPVWTQSA-N 0 0 216.371 2.759 10 30 BFEERN Cc1nnc(N(C)[C@H](C)C(C)(C)C)c(C#N)c1C ZINC000042780477 180421969 /nfs/dbraw/zinc/42/19/69/180421969.db2.gz GMJQFXQDKQJKKF-LLVKDONJSA-N 0 0 246.358 2.836 10 30 BFEERN C=C[C@@H]1COC(=O)[C@@H]1Sc1ccccc1 ZINC000104831098 191121995 /nfs/dbraw/zinc/12/19/95/191121995.db2.gz OLBCFPYMWDGTSC-MWLCHTKSSA-N 0 0 220.293 2.506 10 30 BFEERN CCOC(=O)N1CCC[C@@H]1c1cccc(C#N)c1 ZINC000616607015 350799318 /nfs/dbraw/zinc/79/93/18/350799318.db2.gz OPCQESGHEIYSJZ-CYBMUJFWSA-N 0 0 244.294 2.852 10 30 BFEERN O=C[C@H]1CCCN(Cc2sccc2Cl)C1 ZINC000306678368 350832850 /nfs/dbraw/zinc/83/28/50/350832850.db2.gz AVLQQOXIMCHTEO-VIFPVBQESA-N 0 0 243.759 2.812 10 30 BFEERN O=C[C@@H]1CC[C@]2(CCCC23CCCC3)O1 ZINC000306709016 350856189 /nfs/dbraw/zinc/85/61/89/350856189.db2.gz OQSAWDZICGDTIM-AAEUAGOBSA-N 0 0 208.301 2.847 10 30 BFEERN C#CCCCNc1cc(Cl)nc(Cl)n1 ZINC000306708059 350856946 /nfs/dbraw/zinc/85/69/46/350856946.db2.gz NNHDJAFAKCQNID-UHFFFAOYSA-N 0 0 230.098 2.609 10 30 BFEERN C[C@H]1C[C@@H]1CN(C)c1nc(Cl)c(C#N)s1 ZINC000306734163 350903791 /nfs/dbraw/zinc/90/37/91/350903791.db2.gz UNYRIAFKZRQLGY-NKWVEPMBSA-N 0 0 241.747 2.760 10 30 BFEERN CN(C)[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000037354857 362987919 /nfs/dbraw/zinc/98/79/19/362987919.db2.gz IQKMIFPCHIPZBT-JTQLQIEISA-N 0 0 228.217 2.832 10 30 BFEERN C#CCNc1ncc(Cl)cc1Br ZINC000159584046 350910334 /nfs/dbraw/zinc/91/03/34/350910334.db2.gz GXEAKMHSJISMRX-UHFFFAOYSA-N 0 0 245.507 2.543 10 30 BFEERN CC#C[C@@H](O)c1ccc(Br)c(F)c1 ZINC000306716864 350877589 /nfs/dbraw/zinc/87/75/89/350877589.db2.gz UFQGWLQILRMDJG-SNVBAGLBSA-N 0 0 243.075 2.645 10 30 BFEERN C#CC[C@H](CC)Nc1cc(Cl)nc(Cl)n1 ZINC000306721355 350888767 /nfs/dbraw/zinc/88/87/67/350888767.db2.gz DRQANPPKVWZCRH-ZETCQYMHSA-N 0 0 244.125 2.997 10 30 BFEERN Cc1ccc(F)cc1[C@H]1CC[C@H](C=O)O1 ZINC000306722981 350890834 /nfs/dbraw/zinc/89/08/34/350890834.db2.gz GDRBNIXLNIDWTK-ZYHUDNBSSA-N 0 0 208.232 2.553 10 30 BFEERN C[C@@H](C#N)Oc1cc(Cl)ccc1C#N ZINC000129038636 350970709 /nfs/dbraw/zinc/97/07/09/350970709.db2.gz YFICOLLWDWQTRZ-ZETCQYMHSA-N 0 0 206.632 2.503 10 30 BFEERN C#Cc1nc2ccc(Br)c(C)n2c1C ZINC000159732047 350988987 /nfs/dbraw/zinc/98/89/87/350988987.db2.gz QIJHQGDCQIEFTN-UHFFFAOYSA-N 0 0 249.111 2.695 10 30 BFEERN C[C@H](C#N)[C@@H](O)c1sccc1Cl ZINC000306775677 351016691 /nfs/dbraw/zinc/01/66/91/351016691.db2.gz XEEOCXBNBLLRMS-IYSWYEEDSA-N 0 0 201.678 2.595 10 30 BFEERN C[C@@H](C#N)[C@@H](O)c1sccc1Cl ZINC000306775675 351016737 /nfs/dbraw/zinc/01/67/37/351016737.db2.gz XEEOCXBNBLLRMS-CAHLUQPWSA-N 0 0 201.678 2.595 10 30 BFEERN N#C[C@@H](CO)Cc1c(Cl)cccc1Cl ZINC000063064060 351045597 /nfs/dbraw/zinc/04/55/97/351045597.db2.gz SBZQVKNEQFGZHR-ZETCQYMHSA-N 0 0 230.094 2.668 10 30 BFEERN C=C[C@@H](O)c1csc(Br)c1 ZINC000136965663 351051247 /nfs/dbraw/zinc/05/12/47/351051247.db2.gz WVHNFQUKKYJVQX-ZCFIWIBFSA-N 0 0 219.103 2.730 10 30 BFEERN N#Cc1ccccc1[C@@H]1CCCCCN1C(N)=O ZINC000616624569 351091702 /nfs/dbraw/zinc/09/17/02/351091702.db2.gz SOIYEOJGPXBLNM-ZDUSSCGKSA-N 0 0 243.310 2.554 10 30 BFEERN CC(C)(C)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000616646151 351170424 /nfs/dbraw/zinc/17/04/24/351170424.db2.gz YDOXEEWDPRNFMH-CQSZACIVSA-N 0 0 244.338 2.730 10 30 BFEERN Cc1c(Cl)c(CC#N)ccc1[N+](=O)[O-] ZINC000306829823 351138812 /nfs/dbraw/zinc/13/88/12/351138812.db2.gz KLODRTLHZXEOTF-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN COc1ccc(/C=C(/C)C(C)=O)cc1C ZINC000231746190 351287400 /nfs/dbraw/zinc/28/74/00/351287400.db2.gz QNOWEFSVPQGQDV-CLFYSBASSA-N 0 0 204.269 2.996 10 30 BFEERN C=CC(=O)c1csc(Br)c1 ZINC000137149502 351332514 /nfs/dbraw/zinc/33/25/14/351332514.db2.gz JTYSRUBXAQJBOM-UHFFFAOYSA-N 0 0 217.087 2.879 10 30 BFEERN O=CCc1ccc(Cl)c(Br)c1 ZINC000137269625 351377601 /nfs/dbraw/zinc/37/76/01/351377601.db2.gz IWXNJESGQRSDHB-UHFFFAOYSA-N 0 0 233.492 2.844 10 30 BFEERN N#Cc1c(N)ccc(C(F)(F)F)c1Cl ZINC000306976906 351396322 /nfs/dbraw/zinc/39/63/22/351396322.db2.gz FZSHMPJYUREGEN-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN C[C@H](C#N)NCc1ccsc1Br ZINC000307012693 351420367 /nfs/dbraw/zinc/42/03/67/351420367.db2.gz LGEQTJKZBFADKW-ZCFIWIBFSA-N 0 0 245.145 2.512 10 30 BFEERN N#CCc1c(F)cc(F)cc1C(F)F ZINC000307109111 351480459 /nfs/dbraw/zinc/48/04/59/351480459.db2.gz MOOHFQQBDYMPIS-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN O=C(C1=COCC1)c1sccc1Cl ZINC000307186751 351586981 /nfs/dbraw/zinc/58/69/81/351586981.db2.gz MVCVKKXDMQKIEZ-UHFFFAOYSA-N 0 0 214.673 2.888 10 30 BFEERN O=CC1CC(OCc2ccc(Cl)cc2)C1 ZINC000606302103 351553641 /nfs/dbraw/zinc/55/36/41/351553641.db2.gz BSKGKCNOEKVMKT-UHFFFAOYSA-N 0 0 224.687 2.834 10 30 BFEERN O=CC1CC(OCc2cccc(Cl)c2)C1 ZINC000606302803 351556842 /nfs/dbraw/zinc/55/68/42/351556842.db2.gz XLBDAPRCGFFCLS-UHFFFAOYSA-N 0 0 224.687 2.834 10 30 BFEERN C[C@@H]1CC[C@H](C)[C@@]2(CC[C@](C)(C=O)O2)C1 ZINC000307217846 351617180 /nfs/dbraw/zinc/61/71/80/351617180.db2.gz COOCBMQVPXQFOZ-YVECIDJPSA-N 0 0 210.317 2.949 10 30 BFEERN CC(=O)[C@](C)(C#N)CC1CC(F)(F)C1 ZINC000307236686 351723729 /nfs/dbraw/zinc/72/37/29/351723729.db2.gz GHQXTHPWTSUBAD-VIFPVBQESA-N 0 0 201.216 2.541 10 30 BFEERN COc1cc(F)cc(CN[C@@H]2CCC[C@H]2C#N)c1 ZINC000312262876 363092930 /nfs/dbraw/zinc/09/29/30/363092930.db2.gz AOIPILSTFUBBFI-SMDDNHRTSA-N 0 0 248.301 2.616 10 30 BFEERN CC1(C)CC[C@@]1(C#N)NCc1ccccc1 ZINC000307291587 351899053 /nfs/dbraw/zinc/89/90/53/351899053.db2.gz BTVDNEQMHRXPQP-AWEZNQCLSA-N 0 0 214.312 2.859 10 30 BFEERN C=C(C)[C@H](O)Cc1ccccc1Br ZINC000307319998 351999873 /nfs/dbraw/zinc/99/98/73/351999873.db2.gz ULONPDYKVNRLML-LLVKDONJSA-N 0 0 241.128 2.929 10 30 BFEERN CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@H]2C)c1 ZINC000273192721 187576076 /nfs/dbraw/zinc/57/60/76/187576076.db2.gz JIUPATLNUUFCDC-PRHODGIISA-N 0 0 214.268 2.581 10 30 BFEERN N#CCCCOc1cccc2c1NCCC2 ZINC000038056301 187599281 /nfs/dbraw/zinc/59/92/81/187599281.db2.gz XXTUEPACGKNCNS-UHFFFAOYSA-N 0 0 216.284 2.727 10 30 BFEERN C=C1C[C@H](/C=C/c2ccccc2)OC1=O ZINC000034599808 187668791 /nfs/dbraw/zinc/66/87/91/187668791.db2.gz PCROALGYGXECSV-GUOLPTJISA-N 0 0 200.237 2.572 10 30 BFEERN C#CCN1N=C(c2ccc(C)cc2)CSC1=O ZINC000000341055 187712583 /nfs/dbraw/zinc/71/25/83/187712583.db2.gz HLCJZZSMRAYGTB-UHFFFAOYSA-N 0 0 244.319 2.501 10 30 BFEERN O=C[C@@H]1CC[C@@H](c2ccc(Cl)cc2)O1 ZINC000307477445 352618281 /nfs/dbraw/zinc/61/82/81/352618281.db2.gz DFIUWNVXPGTQTE-QWRGUYRKSA-N 0 0 210.660 2.759 10 30 BFEERN N#CCc1cc(F)c(F)cc1C(F)F ZINC000307435457 352594386 /nfs/dbraw/zinc/59/43/86/352594386.db2.gz QBXXOSWFFHCRAF-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN C=C(Br)CNN1[C@H](C)CCC[C@@H]1C ZINC000215068195 352568490 /nfs/dbraw/zinc/56/84/90/352568490.db2.gz XLNDQRDUICYBKS-AOOOYVTPSA-N 0 0 247.180 2.663 10 30 BFEERN C[C@@]1(CC#N)CC[C@@](C)(C(F)(F)F)O1 ZINC000307553673 352648774 /nfs/dbraw/zinc/64/87/74/352648774.db2.gz LLYHCPOQAVAHBD-YUMQZZPRSA-N 0 0 207.195 2.790 10 30 BFEERN Cc1ccc([C@@]2(C)CCC[C@@H](C=O)O2)o1 ZINC000307563770 352652677 /nfs/dbraw/zinc/65/26/77/352652677.db2.gz XVKMYHYGFRDLGJ-CMPLNLGQSA-N 0 0 208.257 2.571 10 30 BFEERN Cc1ccc([C@@]2(C)CCC[C@H](C=O)O2)o1 ZINC000307563774 352652729 /nfs/dbraw/zinc/65/27/29/352652729.db2.gz XVKMYHYGFRDLGJ-ZYHUDNBSSA-N 0 0 208.257 2.571 10 30 BFEERN O=CC[C@H](O)c1cc(Cl)sc1Cl ZINC000307601069 352667099 /nfs/dbraw/zinc/66/70/99/352667099.db2.gz UIMQNTUKNOKVQA-YFKPBYRVSA-N 0 0 225.096 2.677 10 30 BFEERN N#Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000307501408 352629433 /nfs/dbraw/zinc/62/94/33/352629433.db2.gz UJVSJHLHSXCKDH-UHFFFAOYSA-N 0 0 217.011 2.773 10 30 BFEERN CCOc1ccccc1C1=CC(=O)CC1 ZINC000032010049 352732941 /nfs/dbraw/zinc/73/29/41/352732941.db2.gz HOYCTZJHPDODKY-UHFFFAOYSA-N 0 0 202.253 2.832 10 30 BFEERN CC(C)(C)Cc1noc(-c2ccnc(C#N)c2)n1 ZINC000232493311 352751332 /nfs/dbraw/zinc/75/13/32/352751332.db2.gz PFOMZQHNAOUOQD-UHFFFAOYSA-N 0 0 242.282 2.592 10 30 BFEERN C[C@@]1(c2c(F)cccc2Cl)O[C@@H]1C#N ZINC000307678932 352756553 /nfs/dbraw/zinc/75/65/53/352756553.db2.gz PPHDRTKABFZDLX-PSASIEDQSA-N 0 0 211.623 2.617 10 30 BFEERN C#CCOc1ccc(C)cc1Br ZINC000020077753 187883876 /nfs/dbraw/zinc/88/38/76/187883876.db2.gz JVCKGMYWKJCLBL-UHFFFAOYSA-N 0 0 225.085 2.770 10 30 BFEERN CC[C@@H](S)C(=O)Nc1ccccc1Cl ZINC000307695275 352971635 /nfs/dbraw/zinc/97/16/35/352971635.db2.gz JDVJNBKOESMTCB-SECBINFHSA-N 0 0 229.732 2.987 10 30 BFEERN N#C[C@@H](NCC1CC1)c1ccc(F)c(F)c1 ZINC000037946731 187941839 /nfs/dbraw/zinc/94/18/39/187941839.db2.gz FNFXKFRGRPUVIL-GFCCVEGCSA-N 0 0 222.238 2.529 10 30 BFEERN C#CC(C)(C)Nc1cncc(Br)c1 ZINC000229303378 353035096 /nfs/dbraw/zinc/03/50/96/353035096.db2.gz YUXXJFGREPUYJY-UHFFFAOYSA-N 0 0 239.116 2.668 10 30 BFEERN Cc1c(F)ccc(C#N)c1Br ZINC000307159438 353058066 /nfs/dbraw/zinc/05/80/66/353058066.db2.gz JHFYKHDCCRWRGZ-UHFFFAOYSA-N 0 0 214.037 2.768 10 30 BFEERN C[C@]1(c2ccccc2Cl)CC[C@@H](C=O)O1 ZINC000307282499 353066255 /nfs/dbraw/zinc/06/62/55/353066255.db2.gz LCAYAMZUTIJKLO-JOYOIKCWSA-N 0 0 224.687 2.933 10 30 BFEERN N#[N+][N-]c1cc(=O)[nH]nc1-c1ccccc1 ZINC000017219772 188000685 /nfs/dbraw/zinc/00/06/85/188000685.db2.gz HWONMIYXBJCHTI-UHFFFAOYSA-N 0 0 213.200 2.791 10 30 BFEERN CCCCc1[nH]nc2c1C(=NO)CC(C)(C)C2 ZINC000018175825 188001024 /nfs/dbraw/zinc/00/10/24/188001024.db2.gz OMPGTQXPIWPXDQ-LFIBNONCSA-N 0 0 235.331 2.903 10 30 BFEERN N#CC[C@@H]1CCC[C@@H](c2nccs2)O1 ZINC000307709382 353102617 /nfs/dbraw/zinc/10/26/17/353102617.db2.gz MANOZJOIPVBYKF-IUCAKERBSA-N 0 0 208.286 2.667 10 30 BFEERN C#CC[C@H](C)Nc1ncc(Br)s1 ZINC000307748374 353125526 /nfs/dbraw/zinc/12/55/26/353125526.db2.gz BMFBFIBFIYWKAD-LURJTMIESA-N 0 0 245.145 2.729 10 30 BFEERN CC(C)CCCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232545580 353120731 /nfs/dbraw/zinc/12/07/31/353120731.db2.gz IAELERUWWDWSQS-UHFFFAOYSA-N 0 0 248.286 2.710 10 30 BFEERN C/C=C/CCNc1nnc(CC)c(CC)c1C#N ZINC000124670096 188045925 /nfs/dbraw/zinc/04/59/25/188045925.db2.gz JUMJAWNUHLAFPG-QPJJXVBHSA-N 0 0 244.342 2.851 10 30 BFEERN C=C[C@@H]1[NH2+]CCc2ccc(Cl)c(F)c21 ZINC000075662102 188048575 /nfs/dbraw/zinc/04/85/75/188048575.db2.gz VMYBWUZGQMJFOU-VIFPVBQESA-N 0 0 211.667 2.852 10 30 BFEERN C=C[C@H]1[NH2+]CCc2c(F)c(Cl)ccc21 ZINC000075708483 188049112 /nfs/dbraw/zinc/04/91/12/188049112.db2.gz QFTAGJKMLKMOTC-SNVBAGLBSA-N 0 0 211.667 2.852 10 30 BFEERN C#Cc1ccc(C#Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000082049662 188049878 /nfs/dbraw/zinc/04/98/78/188049878.db2.gz LLRYRTJSRKQYCE-UHFFFAOYSA-N 0 0 247.253 2.976 10 30 BFEERN C=C(Br)CC1(O)CCCCC1 ZINC000104842004 188052054 /nfs/dbraw/zinc/05/20/54/188052054.db2.gz ARECCHJXVOEJAL-UHFFFAOYSA-N 0 0 219.122 2.980 10 30 BFEERN N#Cc1cnccc1N1C[C@@H]2CCCCC[C@H]21 ZINC000373449145 188249529 /nfs/dbraw/zinc/24/95/29/188249529.db2.gz POPJRZSZOPPEMS-WCQYABFASA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1cccc(SC(F)(F)F)n1 ZINC000091252737 188271375 /nfs/dbraw/zinc/27/13/75/188271375.db2.gz UPDICFWJZFEVBT-UHFFFAOYSA-N 0 0 204.176 2.565 10 30 BFEERN C=CCSc1cc(C)oc(=O)c1CC=C ZINC000090750863 188271939 /nfs/dbraw/zinc/27/19/39/188271939.db2.gz SPBZSWXJBLBSCK-UHFFFAOYSA-N 0 0 222.309 2.955 10 30 BFEERN C=COC(F)(F)C(F)(F)C(F)(F)F ZINC000002556898 188275069 /nfs/dbraw/zinc/27/50/69/188275069.db2.gz DAVCAHWKKDIRLY-UHFFFAOYSA-N 0 0 212.064 2.937 10 30 BFEERN C=C(C)[C@@H]1CC[C@]2(C1)[C@H](C)C[C@H](O)C[C@@H]2C=O ZINC000004098284 188275389 /nfs/dbraw/zinc/27/53/89/188275389.db2.gz CEVNHRPKRNTGKO-ZSAUSMIDSA-N 0 0 236.355 2.955 10 30 endogenous,in-man BFEERN C/C(=N\NC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000004933428 188277003 /nfs/dbraw/zinc/27/70/03/188277003.db2.gz BDZRPFBRARFULI-UKTHLTGXSA-N 0 0 235.287 2.707 10 30 BFEERN N#Cc1cccc(-c2nc3cc(N)ccc3o2)c1 ZINC000019441006 188280348 /nfs/dbraw/zinc/28/03/48/188280348.db2.gz BJHXVBQBPMCIRG-UHFFFAOYSA-N 0 0 235.246 2.949 10 30 BFEERN N#C[C@H](c1ccccc1)[C@]1(O)C=CCCC1 ZINC000075622839 188308101 /nfs/dbraw/zinc/30/81/01/188308101.db2.gz DEQPQRAGMKFEMU-KGLIPLIRSA-N 0 0 213.280 2.765 10 30 BFEERN CC(C)N(CCC#N)c1ccccc1[C@@H](C)O ZINC000042529612 188293684 /nfs/dbraw/zinc/29/36/84/188293684.db2.gz FGDZNIAPIPVZHJ-GFCCVEGCSA-N 0 0 232.327 2.868 10 30 BFEERN CCC[C@H](C#N)C(=O)N1CCCC[C@@H]1CC ZINC000044814904 188296806 /nfs/dbraw/zinc/29/68/06/188296806.db2.gz YHUCURNOYNKHDN-NEPJUHHUSA-N 0 0 222.332 2.717 10 30 BFEERN CCC[C@@H](C#N)C(=O)N1CCC(CC)CC1 ZINC000044824359 188296897 /nfs/dbraw/zinc/29/68/97/188296897.db2.gz KOZASUOSWOUFOY-LBPRGKRZSA-N 0 0 222.332 2.575 10 30 BFEERN N#CCCCCOc1ccc(CC#N)cc1 ZINC000048022504 188297474 /nfs/dbraw/zinc/29/74/74/188297474.db2.gz MHESNXVPHMQMEQ-UHFFFAOYSA-N 0 0 214.268 2.825 10 30 BFEERN C=C(C)CSc1nnc(SC)s1 ZINC000047821444 188297488 /nfs/dbraw/zinc/29/74/88/188297488.db2.gz OLNQXLVQTOBOLR-UHFFFAOYSA-N 0 0 218.372 2.928 10 30 BFEERN CC(C)[C@H](C#N)C(=O)N[C@H](C)Cc1ccccc1 ZINC000062189329 188303118 /nfs/dbraw/zinc/30/31/18/188303118.db2.gz XJYUQQGZCHQLCW-OCCSQVGLSA-N 0 0 244.338 2.530 10 30 BFEERN Cn1cc(C#N)c2cc(Br)ccc21 ZINC000082606202 188313841 /nfs/dbraw/zinc/31/38/41/188313841.db2.gz UWJBLNOJXLOBQD-UHFFFAOYSA-N 0 0 235.084 2.812 10 30 BFEERN N#Cc1cnc(C(F)(F)F)cc1OC1CC1 ZINC000095736310 188320074 /nfs/dbraw/zinc/32/00/74/188320074.db2.gz YQKFLRKDGVIIDQ-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN C=CCN(C)c1cc(Cl)ccc1C#N ZINC000131362392 353367481 /nfs/dbraw/zinc/36/74/81/353367481.db2.gz LKOIBVLBWKYDIT-UHFFFAOYSA-N 0 0 206.676 2.834 10 30 BFEERN C=C(C)CNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000156404173 188330512 /nfs/dbraw/zinc/33/05/12/188330512.db2.gz UHVPEVJLVTXZKN-JTQLQIEISA-N 0 0 222.288 2.524 10 30 BFEERN CC(=O)/C=C/c1c(F)c(F)c(F)c(F)c1F ZINC000026834483 188357071 /nfs/dbraw/zinc/35/70/71/188357071.db2.gz LJTUGPUDRVTUAB-NSCUHMNNSA-N 0 0 236.139 2.984 10 30 BFEERN CC(C)[C@H](S)C(=O)N(C)Cc1ccccc1 ZINC000232771150 353394057 /nfs/dbraw/zinc/39/40/57/353394057.db2.gz FBIHZDQZKJFKKL-LBPRGKRZSA-N 0 0 237.368 2.599 10 30 BFEERN C=CCCCSCc1nnc(C)n1CC ZINC000091030026 353399151 /nfs/dbraw/zinc/39/91/51/353399151.db2.gz DILNWLPHLSULHN-UHFFFAOYSA-N 0 0 225.361 2.806 10 30 BFEERN N#Cc1cnc(C2CCSCC2)s1 ZINC000260342193 188371000 /nfs/dbraw/zinc/37/10/00/188371000.db2.gz HHMYOUNHNFYZLP-UHFFFAOYSA-N 0 0 210.327 2.625 10 30 BFEERN N#Cc1ccc(-c2nc(CC3CCC3)no2)cc1 ZINC000285270691 188385921 /nfs/dbraw/zinc/38/59/21/188385921.db2.gz YPYNJOZYPYGLGF-UHFFFAOYSA-N 0 0 239.278 2.951 10 30 BFEERN C=C[C@](C)(CC)C(=O)N[C@H]1COc2ccccc21 ZINC000134993337 353527423 /nfs/dbraw/zinc/52/74/23/353527423.db2.gz WYPGMVHIWYTTGH-SWLSCSKDSA-N 0 0 245.322 2.839 10 30 BFEERN C#CCO/N=C1/C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000005456190 353560344 /nfs/dbraw/zinc/56/03/44/353560344.db2.gz RYOCQKYEVIJALB-VVUJKFQMSA-N 0 0 205.301 2.838 10 30 BFEERN CC(C)=CC(=O)[C@H]1CCc2cccnc21 ZINC000232560803 353735527 /nfs/dbraw/zinc/73/55/27/353735527.db2.gz HWMCTSNBXIKDLK-LLVKDONJSA-N 0 0 201.269 2.647 10 30 BFEERN N#CC1(Nc2ccccc2)CCSCC1 ZINC000041048766 181030227 /nfs/dbraw/zinc/03/02/27/181030227.db2.gz ZNNHBOJTURMCJD-UHFFFAOYSA-N 0 0 218.325 2.888 10 30 BFEERN N#CCNc1cc(Cl)cc(Cl)c1 ZINC000020046811 181043123 /nfs/dbraw/zinc/04/31/23/181043123.db2.gz XXRACNMYZLWSFJ-UHFFFAOYSA-N 0 0 201.056 2.929 10 30 BFEERN Cc1oc(C)c(C(=O)N[C@H]2CCC[C@@H]2C#N)c1C ZINC000087198996 353988440 /nfs/dbraw/zinc/98/84/40/353988440.db2.gz ISHHWLBXMOIMHK-NEPJUHHUSA-N 0 0 246.310 2.627 10 30 BFEERN N#CCc1nc2ccccc2n1Cc1ccccn1 ZINC000104343663 181049496 /nfs/dbraw/zinc/04/94/96/181049496.db2.gz GQEVYTVYJTUWET-UHFFFAOYSA-N 0 0 248.289 2.546 10 30 BFEERN N#CCc1nc2c(ccnc2Cl)n1CC1CC1 ZINC000150136774 181049567 /nfs/dbraw/zinc/04/95/67/181049567.db2.gz BEBFFVCGPGCMHV-UHFFFAOYSA-N 0 0 246.701 2.561 10 30 BFEERN N#CCn1cnc2cc(Cl)c(Cl)cc21 ZINC000033513426 181052059 /nfs/dbraw/zinc/05/20/59/181052059.db2.gz WJULBVXAYGHJKL-UHFFFAOYSA-N 0 0 226.066 2.867 10 30 BFEERN N#CCn1nc(-c2ccccc2)c2cnccc21 ZINC000034516990 181052228 /nfs/dbraw/zinc/05/22/28/181052228.db2.gz SNAXHFLBVJTEJV-UHFFFAOYSA-N 0 0 234.262 2.622 10 30 BFEERN N#C[C@@H](C=O)c1c(Cl)cccc1Cl ZINC000037354619 181054009 /nfs/dbraw/zinc/05/40/09/181054009.db2.gz QHULXVIVIURTLB-LURJTMIESA-N 0 0 214.051 2.799 10 30 BFEERN N#C[C@H](NC1CCCC1)c1ccccc1F ZINC000019988442 181065568 /nfs/dbraw/zinc/06/55/68/181065568.db2.gz SGWQEJRWJWEAOY-ZDUSSCGKSA-N 0 0 218.275 2.923 10 30 BFEERN N#C[C@H](Nc1ccc(F)cc1)c1cccnc1 ZINC000037935859 181065853 /nfs/dbraw/zinc/06/58/53/181065853.db2.gz WJUBWAREDRMDCY-ZDUSSCGKSA-N 0 0 227.242 2.897 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1ccccc1F ZINC000054824086 181060031 /nfs/dbraw/zinc/06/00/31/181060031.db2.gz OXAPNUKYHKKDKO-GWCFXTLKSA-N 0 0 218.275 2.608 10 30 BFEERN N#C[C@@H]1CCC[C@H]1Nc1ccc(F)cc1 ZINC000054824001 181060797 /nfs/dbraw/zinc/06/07/97/181060797.db2.gz VDROMUIJFUBKJK-JOYOIKCWSA-N 0 0 204.248 2.930 10 30 BFEERN N#C[C@@H]1CCC[C@H]1Sc1nnc2ccccn21 ZINC000061406596 181061046 /nfs/dbraw/zinc/06/10/46/181061046.db2.gz URAZXYVQKMZDGB-VHSXEESVSA-N 0 0 244.323 2.514 10 30 BFEERN N#C[C@@H]1OCCc2ccc(Br)cc21 ZINC000006335114 181061771 /nfs/dbraw/zinc/06/17/71/181061771.db2.gz AWQPCAINJNSYIM-JTQLQIEISA-N 0 0 238.084 2.586 10 30 BFEERN N#C[C@H](Nc1ccccc1Cl)[C@@H]1CCOC1 ZINC000037938188 181066841 /nfs/dbraw/zinc/06/68/41/181066841.db2.gz YOLUXJOQSIOKGJ-SKDRFNHKSA-N 0 0 236.702 2.681 10 30 BFEERN N#C[C@]12CC[C@H](CN1Cc1ccccc1)C2 ZINC000032629222 181071428 /nfs/dbraw/zinc/07/14/28/181071428.db2.gz WOBHGUPTSMHZQQ-UONOGXRCSA-N 0 0 212.296 2.565 10 30 BFEERN N#Cc1c(-c2ccccc2)nc2ccccn12 ZINC000019767324 181072686 /nfs/dbraw/zinc/07/26/86/181072686.db2.gz PLWYOSAFNCAICP-UHFFFAOYSA-N 0 0 219.247 2.873 10 30 BFEERN N#C[C@H]1CCCCC[C@H]1NCc1cccnc1 ZINC000054824557 181068191 /nfs/dbraw/zinc/06/81/91/181068191.db2.gz ZFTZAFRXTUPIQI-ZIAGYGMSSA-N 0 0 229.327 2.644 10 30 BFEERN N#C[C@H]1CCC[C@@H]1N1CCc2ccccc21 ZINC000037146236 181069053 /nfs/dbraw/zinc/06/90/53/181069053.db2.gz FKZAGKDBBUXBDU-OCCSQVGLSA-N 0 0 212.296 2.741 10 30 BFEERN N#C[C@H]1OCCc2ccc(Br)cc21 ZINC000002535403 181070851 /nfs/dbraw/zinc/07/08/51/181070851.db2.gz AWQPCAINJNSYIM-SNVBAGLBSA-N 0 0 238.084 2.586 10 30 BFEERN N#Cc1cc(-c2csc(C=O)c2)ccc1O ZINC000065341379 181081633 /nfs/dbraw/zinc/08/16/33/181081633.db2.gz YQDDAJOOQWYTNY-UHFFFAOYSA-N 0 0 229.260 2.805 10 30 BFEERN N#Cc1cc(-c2cccs2)ccc1O ZINC000065341269 181081700 /nfs/dbraw/zinc/08/17/00/181081700.db2.gz DHAHLHIZAYSGKC-UHFFFAOYSA-N 0 0 201.250 2.992 10 30 BFEERN N#Cc1c(F)cccc1NC[C@H](O)C1CCCC1 ZINC000301294429 181075918 /nfs/dbraw/zinc/07/59/18/181075918.db2.gz QYTNOIUYTMVFIP-AWEZNQCLSA-N 0 0 248.301 2.660 10 30 BFEERN N#Cc1c2ccccc2cn1-c1ccccn1 ZINC000034161281 181079002 /nfs/dbraw/zinc/07/90/02/181079002.db2.gz FXRBRIOPQOWEIF-UHFFFAOYSA-N 0 0 219.247 2.897 10 30 BFEERN N#Cc1c[nH]c(=O)cc1-c1ccccc1Cl ZINC000090562812 181079520 /nfs/dbraw/zinc/07/95/20/181079520.db2.gz SFSVAYNBOJWXHO-UHFFFAOYSA-N 0 0 230.654 2.567 10 30 BFEERN N#Cc1cc(-c2cc(=O)cc[nH]2)ccc1Cl ZINC000065355923 181080605 /nfs/dbraw/zinc/08/06/05/181080605.db2.gz GYHVCUWIULLPSN-UHFFFAOYSA-N 0 0 230.654 2.567 10 30 BFEERN N#Cc1cc(Cl)c2ccc(F)cc2n1 ZINC000077255363 181086288 /nfs/dbraw/zinc/08/62/88/181086288.db2.gz KBFYCUNITRUUDY-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN N#Cc1ccc(-c2cccc(N)c2)cc1O ZINC000065341285 181094978 /nfs/dbraw/zinc/09/49/78/181094978.db2.gz BFSFZSQLMOGZRF-UHFFFAOYSA-N 0 0 210.236 2.513 10 30 BFEERN N#Cc1ccc(-c2csc(C=O)c2)cc1O ZINC000065341380 181095657 /nfs/dbraw/zinc/09/56/57/181095657.db2.gz DKEKQYLRTKIOGG-UHFFFAOYSA-N 0 0 229.260 2.805 10 30 BFEERN N#Cc1cc(O)cc(-c2ccsc2)c1 ZINC000065341274 181091674 /nfs/dbraw/zinc/09/16/74/181091674.db2.gz WBJFDFDXDCSGKA-UHFFFAOYSA-N 0 0 201.250 2.992 10 30 BFEERN N#Cc1cc(NCc2ccncn2)ccc1Cl ZINC000054789123 181091694 /nfs/dbraw/zinc/09/16/94/181091694.db2.gz RWBRFQMSNUDHSM-UHFFFAOYSA-N 0 0 244.685 2.614 10 30 BFEERN N#Cc1cc(=O)c2cc(Br)ccc2[nH]1 ZINC000062623507 181091898 /nfs/dbraw/zinc/09/18/98/181091898.db2.gz BBNNKXYCIFSAIP-UHFFFAOYSA-N 0 0 249.067 2.575 10 30 BFEERN N#Cc1cc(O)cc(-c2cc(O)cc(F)c2)c1 ZINC000065341372 181091973 /nfs/dbraw/zinc/09/19/73/181091973.db2.gz PBKPKGDJNWSXPE-UHFFFAOYSA-N 0 0 229.210 2.776 10 30 BFEERN N#Cc1ccc(-c2ccsc2)[nH]c1=S ZINC000038221395 181095690 /nfs/dbraw/zinc/09/56/90/181095690.db2.gz ALTQTQIPQFGEJY-UHFFFAOYSA-N 0 0 218.306 2.970 10 30 BFEERN N#Cc1ccc(Cl)cc1NC[C@@H]1[C@H]2COC[C@H]21 ZINC000376209058 181111942 /nfs/dbraw/zinc/11/19/42/181111942.db2.gz USDPUWJXMPSQOT-CNDDSTCGSA-N 0 0 248.713 2.516 10 30 BFEERN N#Cc1ccc(NC[C@H](O)C2CCCC2)c(F)c1 ZINC000301257038 181122926 /nfs/dbraw/zinc/12/29/26/181122926.db2.gz BSAOMKCMYBNSIZ-AWEZNQCLSA-N 0 0 248.301 2.660 10 30 BFEERN N#Cc1ccc(NCc2cn[nH]c2)c(Cl)c1 ZINC000062790978 181124514 /nfs/dbraw/zinc/12/45/14/181124514.db2.gz VYYOQDAJBRBURH-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN N#Cc1ccc(OCC2CCCC2)c(N)c1 ZINC000042410833 181127609 /nfs/dbraw/zinc/12/76/09/181127609.db2.gz JJLWHURYSWBCFV-UHFFFAOYSA-N 0 0 216.284 2.709 10 30 BFEERN N#Cc1ccc(OCc2ccsc2)c(N)c1 ZINC000042410822 181128901 /nfs/dbraw/zinc/12/89/01/181128901.db2.gz UXYCAYVDDKWPMZ-UHFFFAOYSA-N 0 0 230.292 2.781 10 30 BFEERN N#Cc1ccc2nc(-c3ccccc3)n(O)c2c1 ZINC000028957119 181133386 /nfs/dbraw/zinc/13/33/86/181133386.db2.gz ONQBETGFEDSHAE-UHFFFAOYSA-N 0 0 235.246 2.812 10 30 BFEERN CC1=C[C@H](C)C[N@H+](CC2(C#N)CCC2)C1 ZINC000334655472 354449305 /nfs/dbraw/zinc/44/93/05/354449305.db2.gz ZQAWEQRNPKEHKE-NSHDSACASA-N 0 0 204.317 2.578 10 30 BFEERN N#Cc1cccc(Nc2ncc(N)cc2Cl)c1 ZINC000082552085 181142315 /nfs/dbraw/zinc/14/23/15/181142315.db2.gz MLUFLTMCARFKHZ-UHFFFAOYSA-N 0 0 244.685 2.932 10 30 BFEERN N#Cc1cccc(Oc2ccc(CO)cc2)c1 ZINC000020435162 181143266 /nfs/dbraw/zinc/14/32/66/181143266.db2.gz PLFZGHDVRRGTGM-UHFFFAOYSA-N 0 0 225.247 2.843 10 30 BFEERN N#Cc1cccc(Oc2ncccc2C#N)c1 ZINC000019429606 181143586 /nfs/dbraw/zinc/14/35/86/181143586.db2.gz ATZVQJAARBOLQN-UHFFFAOYSA-N 0 0 221.219 2.617 10 30 BFEERN N#Cc1ccccc1N(CCO)C1CCCCC1 ZINC000042525841 181147196 /nfs/dbraw/zinc/14/71/96/181147196.db2.gz UDILTKUKSYSTNS-UHFFFAOYSA-N 0 0 244.338 2.690 10 30 BFEERN N#Cc1ccccc1NCc1cccc(O)c1O ZINC000041116377 181149152 /nfs/dbraw/zinc/14/91/52/181149152.db2.gz URTGHAOIWOPKFI-UHFFFAOYSA-N 0 0 240.262 2.582 10 30 BFEERN N#Cc1ccccc1N[C@H]1CCC[C@H]1C#N ZINC000054823942 181149239 /nfs/dbraw/zinc/14/92/39/181149239.db2.gz CBJFGWFVPAWKRX-AAEUAGOBSA-N 0 0 211.268 2.662 10 30 BFEERN N#Cc1cccnc1Oc1ccccc1[N+](=O)[O-] ZINC000022796869 181154162 /nfs/dbraw/zinc/15/41/62/181154162.db2.gz RBSNHBQZILZBCJ-UHFFFAOYSA-N 0 0 241.206 2.654 10 30 BFEERN N#Cc1ccnc(Oc2cc(Cl)ccc2N)c1 ZINC000051609611 181157859 /nfs/dbraw/zinc/15/78/59/181157859.db2.gz TVPXCNQCDLBKDT-UHFFFAOYSA-N 0 0 245.669 2.981 10 30 BFEERN N#Cc1cnc(-c2cc[nH]c2)cc1Cl ZINC000077297670 181161156 /nfs/dbraw/zinc/16/11/56/181161156.db2.gz YDRIZVPHZISCNT-UHFFFAOYSA-N 0 0 203.632 2.602 10 30 BFEERN N#Cc1cnc(Nc2cc3ccccc3cn2)cn1 ZINC000073198997 181163665 /nfs/dbraw/zinc/16/36/65/181163665.db2.gz VXZHDZXCQWPUHE-UHFFFAOYSA-N 0 0 247.261 2.640 10 30 BFEERN N#Cc1nc(SC2CCCC2)ccc1[N+](=O)[O-] ZINC000302719780 181169524 /nfs/dbraw/zinc/16/95/24/181169524.db2.gz KVYMATPDBGDXTK-UHFFFAOYSA-N 0 0 249.295 2.896 10 30 BFEERN N/C(CCSc1ccccc1Cl)=N\O ZINC000019847794 181182804 /nfs/dbraw/zinc/18/28/04/181182804.db2.gz OZJLIUHWMPOXNG-UHFFFAOYSA-N 0 0 230.720 2.569 10 30 BFEERN CC1(C[NH2+][C@H]2CCCC[C@@H]2C#N)CCC1 ZINC000233026972 355308455 /nfs/dbraw/zinc/30/84/55/355308455.db2.gz OMXRSLNLEULMLB-NEPJUHHUSA-N 0 0 206.333 2.849 10 30 BFEERN C=CCCC(=O)Oc1cccc(C(=O)OCC)c1 ZINC000102217581 355355675 /nfs/dbraw/zinc/35/56/75/355355675.db2.gz UPOMUAQAMXCHTP-UHFFFAOYSA-N 0 0 248.278 2.735 10 30 BFEERN Cc1nc(N2C[C@H]3CCC[C@H]32)c(Cl)cc1C#N ZINC000336032600 134058502 /nfs/dbraw/zinc/05/85/02/134058502.db2.gz AYBRUQQIVPXYHG-BXKDBHETSA-N 0 0 247.729 2.904 10 30 BFEERN C#CCC(=O)c1cc(Br)ccc1C ZINC000167707517 356436328 /nfs/dbraw/zinc/43/63/28/356436328.db2.gz QIVBURZEXMALLA-UHFFFAOYSA-N 0 0 237.096 2.964 10 30 BFEERN CC(C)(C)C#CCC(=O)C[C@@H]1CCCO1 ZINC000300739632 356491862 /nfs/dbraw/zinc/49/18/62/356491862.db2.gz ICSJCVJAFKZWRH-LBPRGKRZSA-N 0 0 208.301 2.564 10 30 BFEERN N#CC#Cc1cc(Br)ccc1Cl ZINC000161223790 363499016 /nfs/dbraw/zinc/49/90/16/363499016.db2.gz RAXOGHGXWUEHHV-UHFFFAOYSA-N 0 0 240.487 2.978 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)C[C@@H]1C=CCCC1 ZINC000332997623 538456092 /nfs/dbraw/zinc/45/60/92/538456092.db2.gz HFPAUKPYFDXSCJ-FRRDWIJNSA-N 0 0 232.327 2.541 10 30 BFEERN CC(C)(C(=O)N[C@@H]1CCC[C@@H]1C#N)C1CCC1 ZINC000322457787 363532301 /nfs/dbraw/zinc/53/23/01/363532301.db2.gz IBUGYVILWYFUAQ-ZYHUDNBSSA-N 0 0 234.343 2.621 10 30 BFEERN COc1nscc1-c1ccc(CC#N)cc1 ZINC000675059522 538483908 /nfs/dbraw/zinc/48/39/08/538483908.db2.gz RCWGDQHWXJFANQ-UHFFFAOYSA-N 0 0 230.292 2.885 10 30 BFEERN C[C@@H]1CC[C@H](C)c2c(C#N)c(N)ncc21 ZINC000675064330 538490945 /nfs/dbraw/zinc/49/09/45/538490945.db2.gz YCLVNJYUAVFTTE-SFYZADRCSA-N 0 0 201.273 2.536 10 30 BFEERN CCOC(=O)[C@@H]1O[C@@]12CCC[C@@H](CC)CC2 ZINC000084324564 538531107 /nfs/dbraw/zinc/53/11/07/538531107.db2.gz KAVPCMXGPRMOJI-NTZNESFSSA-N 0 0 226.316 2.677 10 30 BFEERN CC[C@H](C)C[C@]1(CC)O[C@]1(C)C(=O)OC ZINC000085657994 538544288 /nfs/dbraw/zinc/54/42/88/538544288.db2.gz DFZNKISIFZZVNX-WCQGTBRESA-N 0 0 214.305 2.533 10 30 BFEERN COC(=O)[C@@]1(C)O[C@@]12CCCC(C)(C)CC2 ZINC000085657787 538544444 /nfs/dbraw/zinc/54/44/44/538544444.db2.gz RCBSMLRWAGUZNG-CHWSQXEVSA-N 0 0 226.316 2.677 10 30 BFEERN CCCCCC[C@]1(C)O[C@@]1(C)C(=O)OC ZINC000085657952 538545276 /nfs/dbraw/zinc/54/52/76/538545276.db2.gz KBTUPMSCKUVXGS-RYUDHWBXSA-N 0 0 214.305 2.677 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@]12CC[C@@H](CC)C2 ZINC000220824425 538547599 /nfs/dbraw/zinc/54/75/99/538547599.db2.gz UQNIVHONWBNLPY-WXHSDQCUSA-N 0 0 226.316 2.677 10 30 BFEERN CCCC1(CCC)O[C@]1(C(=O)OC)C(C)C ZINC000086182660 538552710 /nfs/dbraw/zinc/55/27/10/538552710.db2.gz SUAPLMUWJWFMCM-ZDUSSCGKSA-N 0 0 228.332 2.923 10 30 BFEERN COC(=O)[C@]1(C(C)C)OC12CCCCCC2 ZINC000086182714 538552847 /nfs/dbraw/zinc/55/28/47/538552847.db2.gz KCNTYTXLXHKOMA-ZDUSSCGKSA-N 0 0 226.316 2.677 10 30 BFEERN CCC[C@@]1(C2CCCC2)O[C@@]1(Cl)C(=O)OC ZINC000313408141 538579305 /nfs/dbraw/zinc/57/93/05/538579305.db2.gz CWXWMMSVIJNDDT-RYUDHWBXSA-N 0 0 246.734 2.854 10 30 BFEERN C=C(C)C(=O)[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300022618 357172787 /nfs/dbraw/zinc/17/27/87/357172787.db2.gz BEHCOGQGDRAQEE-VGMNWLOBSA-N 0 0 216.371 2.757 10 30 BFEERN C#CC(=O)c1cc(Br)ccc1C ZINC000168755563 357220863 /nfs/dbraw/zinc/22/08/63/357220863.db2.gz XRKMYZGIBUEGNM-UHFFFAOYSA-N 0 0 223.069 2.573 10 30 BFEERN Cc1ccc(F)cc1CN[C@@H]1CCC[C@H]1C#N ZINC000230686610 357549981 /nfs/dbraw/zinc/54/99/81/357549981.db2.gz RHTZZHVGYPYKOK-SMDDNHRTSA-N 0 0 232.302 2.916 10 30 BFEERN Cc1ccc(F)cc1CN[C@@H]1CCC[C@@H]1C#N ZINC000230686602 357550046 /nfs/dbraw/zinc/55/00/46/357550046.db2.gz RHTZZHVGYPYKOK-BXUZGUMPSA-N 0 0 232.302 2.916 10 30 BFEERN N#CCN1CCC[C@H](c2cc(F)ccc2F)C1 ZINC000191675310 357782693 /nfs/dbraw/zinc/78/26/93/357782693.db2.gz ZTTMEDWIKLQLKN-JTQLQIEISA-N 0 0 236.265 2.668 10 30 BFEERN C#CCCCC(=O)N1CCC[C@H]1c1ccco1 ZINC000192320999 357829934 /nfs/dbraw/zinc/82/99/34/357829934.db2.gz CSTOLESVJMIEJA-LBPRGKRZSA-N 0 0 231.295 2.747 10 30 BFEERN Cc1cnc([C@H](C)NCC#Cc2ccccc2)o1 ZINC000235525869 357876237 /nfs/dbraw/zinc/87/62/37/357876237.db2.gz ZTOWVXRVFQARMJ-ZDUSSCGKSA-N 0 0 240.306 2.685 10 30 BFEERN CCCCCCCC[C@H](CO)CCO ZINC000100296694 357930733 /nfs/dbraw/zinc/93/07/33/357930733.db2.gz TYBKGVWQUWPGQF-LBPRGKRZSA-N 0 0 202.338 2.728 10 30 BFEERN C=C(Cl)CN1CCCC[C@H]1c1cn[nH]c1 ZINC000121817689 134235757 /nfs/dbraw/zinc/23/57/57/134235757.db2.gz VNJFIFKHPKWUQW-NSHDSACASA-N 0 0 225.723 2.689 10 30 BFEERN CC[C@@H](C#N)N1CCCc2ccccc21 ZINC000043556125 535389722 /nfs/dbraw/zinc/38/97/22/535389722.db2.gz XBEAKUHQIUJEPJ-LBPRGKRZSA-N 0 0 200.285 2.741 10 30 BFEERN N#Cc1cccc(-c2nc([C@@H]3CC34CC4)no2)c1 ZINC000351272218 358169456 /nfs/dbraw/zinc/16/94/56/358169456.db2.gz BRFUGCHNNBQZEP-NSHDSACASA-N 0 0 237.262 2.876 10 30 BFEERN Cc1ccc2c(c1)C=C(C[C@H](N)C#N)CC2 ZINC000039039885 358216862 /nfs/dbraw/zinc/21/68/62/358216862.db2.gz FHJHLPIYQREDMT-AWEZNQCLSA-N 0 0 212.296 2.566 10 30 BFEERN N#Cc1scc(-c2cccs2)c1N ZINC000584630928 358248965 /nfs/dbraw/zinc/24/89/65/358248965.db2.gz NXTVOINCJJVBKN-UHFFFAOYSA-N 0 0 206.295 2.930 10 30 BFEERN C=C[C@@H](C)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218867660 134265427 /nfs/dbraw/zinc/26/54/27/134265427.db2.gz QHGSCIAYYLZFOQ-SECBINFHSA-N 0 0 206.245 2.890 10 30 BFEERN COc1cccc([C@@](C)(CCC#N)C(C)=O)c1 ZINC000584594611 358251723 /nfs/dbraw/zinc/25/17/23/358251723.db2.gz NNOZERQJLHLRHK-AWEZNQCLSA-N 0 0 231.295 2.846 10 30 BFEERN CC[C@H](CCC=O)c1ccc(C(=O)OC)cc1 ZINC000584597734 358255068 /nfs/dbraw/zinc/25/50/68/358255068.db2.gz GOUYEJGUZKVKNT-LLVKDONJSA-N 0 0 234.295 2.946 10 30 BFEERN N#Cc1cnc2c(ccc3c2CCCC3)c1 ZINC000584597903 358255834 /nfs/dbraw/zinc/25/58/34/358255834.db2.gz YUJDYOJNPNQKRJ-UHFFFAOYSA-N 0 0 208.264 2.985 10 30 BFEERN CC[C@@H](C)c1ccc(OC[C@@H](O)CC#N)cc1 ZINC000584600325 358257133 /nfs/dbraw/zinc/25/71/33/358257133.db2.gz XQIKCARYVPZESJ-YPMHNXCESA-N 0 0 233.311 2.853 10 30 BFEERN C#C[C@]1(O)c2ccccc2[C@@H]2CCC[C@]21C ZINC000584601362 358258163 /nfs/dbraw/zinc/25/81/63/358258163.db2.gz IXGQEQTXIJHTSU-CFVMTHIKSA-N 0 0 212.292 2.795 10 30 BFEERN C=C[C@H](C1CCOCC1)[C@@H]1CCCCC1=O ZINC000584601302 358258308 /nfs/dbraw/zinc/25/83/08/358258308.db2.gz BDIQIJUBYOHYKQ-OLZOCXBDSA-N 0 0 222.328 2.975 10 30 BFEERN CC[C@@H](COc1ccccc1C)N=C(C)NC#N ZINC000584602038 358259445 /nfs/dbraw/zinc/25/94/45/358259445.db2.gz XRRFRUDCSIPUKM-ZDUSSCGKSA-N 0 0 245.326 2.642 10 30 BFEERN C=CCC(C(=O)OCC)=C1SCCS1 ZINC000584603064 358261439 /nfs/dbraw/zinc/26/14/39/358261439.db2.gz RJGDTYZCNYOIJL-UHFFFAOYSA-N 0 0 230.354 2.817 10 30 BFEERN COC([O-])=C([N+]#N)C(=O)n1ccc2ccccc21 ZINC000584606681 358265698 /nfs/dbraw/zinc/26/56/98/358265698.db2.gz LLDWLKSEVOUOQU-UHFFFAOYSA-O 0 0 244.230 2.508 10 30 BFEERN COC(=O)/N=C(\c1ccc(F)cc1)C(F)(F)F ZINC000584606621 358265756 /nfs/dbraw/zinc/26/57/56/358265756.db2.gz AHVARXAPNKXZRV-OVCLIPMQSA-N 0 0 249.163 2.944 10 30 BFEERN COC(=O)c1ccc(C#CC(F)=C(F)F)cc1 ZINC000584606542 358265936 /nfs/dbraw/zinc/26/59/36/358265936.db2.gz GMKUUVIZQIKQBT-UHFFFAOYSA-N 0 0 240.180 2.902 10 30 BFEERN C=C[C@](C(=O)OC)(c1ccccc1)C(F)(F)F ZINC000584606763 358266536 /nfs/dbraw/zinc/26/65/36/358266536.db2.gz RTYHBSSGJNZBPZ-LLVKDONJSA-N 0 0 244.212 2.846 10 30 BFEERN CO/N=C(\C)c1c(C)cc(C)cc1[N+](=O)[O-] ZINC000584609270 358270450 /nfs/dbraw/zinc/27/04/50/358270450.db2.gz FBTPRDNMQGLSRL-FMIVXFBMSA-N 0 0 222.244 2.582 10 30 BFEERN C=CC[C@H](O)[C@H](C)[C@H](OC)[C@@H](C)CC ZINC000584609187 358270638 /nfs/dbraw/zinc/27/06/38/358270638.db2.gz OBJRKVRAHLEMDZ-FIQHERPVSA-N 0 0 200.322 2.621 10 30 BFEERN C#C/C(=C\c1ccc(Cl)cc1)C(C)=O ZINC000584609919 358271903 /nfs/dbraw/zinc/27/19/03/358271903.db2.gz RMTPDLQGXOOLCK-DHZHZOJOSA-N 0 0 204.656 2.946 10 30 BFEERN CCCCCCC[C@@H](/C=C/CO)OC ZINC000584610194 358272514 /nfs/dbraw/zinc/27/25/14/358272514.db2.gz YWHZJCVGCHJJAE-OANVXVOSSA-N 0 0 200.322 2.910 10 30 BFEERN CC(C)(C)S(=O)(=O)/N=C1/C=CCCCC1 ZINC000584610236 358273063 /nfs/dbraw/zinc/27/30/63/358273063.db2.gz QJWLTPHIYWVAJI-BENRWUELSA-N 0 0 229.345 2.686 10 30 BFEERN C=CC[C@@H](C=C)NC(=O)C(Cl)(Cl)Cl ZINC000584610927 358274499 /nfs/dbraw/zinc/27/44/99/358274499.db2.gz FNZDOLDHMGPVAW-ZCFIWIBFSA-N 0 0 242.533 2.604 10 30 BFEERN CCC[C@H]1CC(=O)C=C(c2ccsc2)N1 ZINC000584610758 358274643 /nfs/dbraw/zinc/27/46/43/358274643.db2.gz DFSZXTMSIUXHDI-JTQLQIEISA-N 0 0 221.325 2.820 10 30 BFEERN N#CC1(C#N)C=C1c1cccc(Cl)c1 ZINC000584621563 358289451 /nfs/dbraw/zinc/28/94/51/358289451.db2.gz XXGDJSKAOOGOHP-UHFFFAOYSA-N 0 0 200.628 2.771 10 30 BFEERN Clc1ccc(C#C[C@H]2CCCO2)cc1 ZINC000584621929 358290154 /nfs/dbraw/zinc/29/01/54/358290154.db2.gz ZDEICQFLBYSTBK-GFCCVEGCSA-N 0 0 206.672 2.871 10 30 BFEERN CCC(=NC#N)N[C@H]1CCCc2ccccc21 ZINC000584650313 358304976 /nfs/dbraw/zinc/30/49/76/358304976.db2.gz CFLFKTHJCRYDJC-ZDUSSCGKSA-N 0 0 227.311 2.943 10 30 BFEERN Cc1ccc(C[C@H](C)CC(=O)C#N)cc1 ZINC000584660741 358311927 /nfs/dbraw/zinc/31/19/27/358311927.db2.gz LFOPFHUQSUPIHN-NSHDSACASA-N 0 0 201.269 2.656 10 30 BFEERN C=C[C@]1(O)CCCSc2cc(OC)ccc21 ZINC000584616600 358281455 /nfs/dbraw/zinc/28/14/55/358281455.db2.gz IGCZVZCMVRCEFN-ZDUSSCGKSA-N 0 0 236.336 2.955 10 30 BFEERN C#CCCCNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000172936723 134271171 /nfs/dbraw/zinc/27/11/71/134271171.db2.gz DOMZZGFXDZFTBV-KGLIPLIRSA-N 0 0 233.355 2.732 10 30 BFEERN C=C(Br)[C@@H]1CN=C(CCCC)O1 ZINC000584637058 358322342 /nfs/dbraw/zinc/32/23/42/358322342.db2.gz ORZDFMAEJDVARC-QMMMGPOBSA-N 0 0 232.121 2.883 10 30 BFEERN N#Cc1nc2c(nc1N)CCCCCCCCC2 ZINC000584638048 358323498 /nfs/dbraw/zinc/32/34/98/358323498.db2.gz JDPYWCBTZCSWDY-UHFFFAOYSA-N 0 0 244.342 2.590 10 30 BFEERN CCCCCCC[C@@H](O)C1=C[C@@H](C)OC1=O ZINC000014261717 358433285 /nfs/dbraw/zinc/43/32/85/358433285.db2.gz YUMHJXLSSASJGN-ZYHUDNBSSA-N 0 0 226.316 2.580 10 30 BFEERN Cc1cc(F)cc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000134856882 358808650 /nfs/dbraw/zinc/80/86/50/358808650.db2.gz TVWGZMUIGSVGPJ-MFKMUULPSA-N 0 0 246.285 2.556 10 30 BFEERN C#CC(C)(C)OCc1nc(Cl)cc(Cl)n1 ZINC000306169867 358978905 /nfs/dbraw/zinc/97/89/05/358978905.db2.gz KEMUEBAFLUSNSL-UHFFFAOYSA-N 0 0 245.109 2.712 10 30 BFEERN CC(C)(C)[S@](=O)/N=C/c1ncccc1Cl ZINC000224193648 358952337 /nfs/dbraw/zinc/95/23/37/358952337.db2.gz BTUUNHWXZRCLLJ-COSNYCCFSA-N 0 0 244.747 2.616 10 30 BFEERN N#C[C@]1(CC=C(Cl)Cl)CCCC1=O ZINC000403412923 358981886 /nfs/dbraw/zinc/98/18/86/358981886.db2.gz VZVZDMQUHWJQKC-SECBINFHSA-N 0 0 218.083 2.958 10 30 BFEERN C#CC[C@H](C)Nc1cncc(Br)c1 ZINC000231145659 358995513 /nfs/dbraw/zinc/99/55/13/358995513.db2.gz HSIFREJGBVLHNM-QMMMGPOBSA-N 0 0 239.116 2.668 10 30 BFEERN C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000247420274 359220251 /nfs/dbraw/zinc/22/02/51/359220251.db2.gz NXJKQTPTOWSAPB-XBFCOCLRSA-N 0 0 248.370 2.963 10 30 BFEERN CCc1nc(C)c(CN[C@@H]2CCCC[C@@H]2C#N)o1 ZINC000385550186 359288405 /nfs/dbraw/zinc/28/84/05/359288405.db2.gz WVVOXJNYKHHROJ-VXGBXAGGSA-N 0 0 247.342 2.717 10 30 BFEERN Cc1csc([C@@H]2CC[C@H](CC#N)O2)n1 ZINC000306212798 359308200 /nfs/dbraw/zinc/30/82/00/359308200.db2.gz WFVBGQSSUCOYPW-BDAKNGLRSA-N 0 0 208.286 2.585 10 30 BFEERN Cc1csc([C@H]2CC[C@H](CC#N)O2)n1 ZINC000306212802 359308475 /nfs/dbraw/zinc/30/84/75/359308475.db2.gz WFVBGQSSUCOYPW-RKDXNWHRSA-N 0 0 208.286 2.585 10 30 BFEERN O=C[C@@H]1CC[C@H](c2cc(Cl)ccc2F)O1 ZINC000306222554 359344104 /nfs/dbraw/zinc/34/41/04/359344104.db2.gz XGWJLOVOIABISO-GZMMTYOYSA-N 0 0 228.650 2.898 10 30 BFEERN O=C[C@H]1CC[C@H](c2cc(Cl)ccc2F)O1 ZINC000306222557 359344717 /nfs/dbraw/zinc/34/47/17/359344717.db2.gz XGWJLOVOIABISO-LDYMZIIASA-N 0 0 228.650 2.898 10 30 BFEERN C[C@H]1CC(=O)C=C(CC[C@@H]2CCCO2)C1 ZINC000306234612 359392152 /nfs/dbraw/zinc/39/21/52/359392152.db2.gz JUCLPVNTVGYTMK-MFKMUULPSA-N 0 0 208.301 2.871 10 30 BFEERN CC(C)=CC(=O)c1ccc2c(c1)CCO2 ZINC000169161704 359449291 /nfs/dbraw/zinc/44/92/91/359449291.db2.gz FAOUUNMWHSZBPX-UHFFFAOYSA-N 0 0 202.253 2.770 10 30 BFEERN O=C[C@@H]1CC[C@@H](c2ccsc2Cl)O1 ZINC000306268456 359490135 /nfs/dbraw/zinc/49/01/35/359490135.db2.gz JJKWPTKYOOLQOW-XPUUQOCRSA-N 0 0 216.689 2.821 10 30 BFEERN O=[N+]([O-])c1cccc(CS)c1Br ZINC000306293139 359530357 /nfs/dbraw/zinc/53/03/57/359530357.db2.gz UBTVODPHQMDCOU-UHFFFAOYSA-N 0 0 248.101 2.787 10 30 BFEERN C#CCC(=O)c1ccc(F)c(Br)c1 ZINC000169229942 359826932 /nfs/dbraw/zinc/82/69/32/359826932.db2.gz GGIONTHPHDKLOW-UHFFFAOYSA-N 0 0 241.059 2.794 10 30 BFEERN CC#C[C@@H](O)c1sccc1Br ZINC000306430758 359917681 /nfs/dbraw/zinc/91/76/81/359917681.db2.gz GFUBEKHAYWBURE-SSDOTTSWSA-N 0 0 231.114 2.567 10 30 BFEERN O=C[C@@H]1CC[C@H](c2cc(Cl)cs2)O1 ZINC000306472629 360100238 /nfs/dbraw/zinc/10/02/38/360100238.db2.gz CMVBWGGYONUVDH-JGVFFNPUSA-N 0 0 216.689 2.821 10 30 BFEERN O=C(Cc1csnn1)C1=CCCCCC1 ZINC000306460705 360074663 /nfs/dbraw/zinc/07/46/63/360074663.db2.gz FLOVVXAQAHUPST-UHFFFAOYSA-N 0 0 222.313 2.540 10 30 BFEERN C=C(Cl)CNc1ccnc(C(C)C)n1 ZINC000306469580 360087777 /nfs/dbraw/zinc/08/77/77/360087777.db2.gz POHFSPDHIBDYFV-UHFFFAOYSA-N 0 0 211.696 2.764 10 30 BFEERN C[C@@H]1CC[C@]2(CCC[C@H](C=O)O2)C[C@H]1C ZINC000306520093 360343517 /nfs/dbraw/zinc/34/35/17/360343517.db2.gz JRXSWYSGXKUBKB-FDYHWXHSSA-N 0 0 210.317 2.949 10 30 BFEERN CCn1cnc(C(=O)C2=CCCCC2)c1 ZINC000306533768 360395535 /nfs/dbraw/zinc/39/55/35/360395535.db2.gz DGHCLBVNRYCBFJ-UHFFFAOYSA-N 0 0 204.273 2.586 10 30 BFEERN CC[C@H]1CC[C@@](C#N)(c2nncs2)C1 ZINC000306545195 360414787 /nfs/dbraw/zinc/41/47/87/360414787.db2.gz APDKUZQMJHTQKZ-WCBMZHEXSA-N 0 0 207.302 2.510 10 30 BFEERN Cc1cccc([C@H]2CC(=O)C=CO2)c1C ZINC000069850514 360703071 /nfs/dbraw/zinc/70/30/71/360703071.db2.gz DYWMQTILYWQCIF-CYBMUJFWSA-N 0 0 202.253 2.848 10 30 BFEERN CCc1c(Cl)c(C#N)ccc1C(=O)OC ZINC000238294159 360791456 /nfs/dbraw/zinc/79/14/56/360791456.db2.gz VABMOZLLSVUCIR-UHFFFAOYSA-N 0 0 223.659 2.561 10 30 BFEERN N#CCc1c(Cl)cncc1OC(F)(F)F ZINC000238543817 361146988 /nfs/dbraw/zinc/14/69/88/361146988.db2.gz DCTZILKGSQICMW-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN Cc1c(Br)ccc(C#N)c1[N+](=O)[O-] ZINC000306621152 361231402 /nfs/dbraw/zinc/23/14/02/361231402.db2.gz YVNXPZBICJYQND-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN C=C(C)CN1CCC(=O)c2ccccc21 ZINC000070601249 361584179 /nfs/dbraw/zinc/58/41/79/361584179.db2.gz GONLGPMYLFIQGT-UHFFFAOYSA-N 0 0 201.269 2.656 10 30 BFEERN CC(C)(C#N)N1CCC2(C1)CCCCC2 ZINC000161256394 363855999 /nfs/dbraw/zinc/85/59/99/363855999.db2.gz PRBARANGQQVLCE-UHFFFAOYSA-N 0 0 206.333 2.945 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ncoc1C1CC1 ZINC000328926319 541328512 /nfs/dbraw/zinc/32/85/12/541328512.db2.gz WJDIWTIUPKFTFZ-UWVGGRQHSA-N 0 0 245.282 2.549 10 30 BFEERN CC(C)(C)c1ccc(C#CCCO)cc1 ZINC000037470680 364054799 /nfs/dbraw/zinc/05/47/99/364054799.db2.gz NKRHYLCGOKTQNV-UHFFFAOYSA-N 0 0 202.297 2.718 10 30 BFEERN CC(C)(C)C1CCC(OS(C)(=O)=O)CC1 ZINC000038284494 364382372 /nfs/dbraw/zinc/38/23/72/364382372.db2.gz DMRFYSSPPNUNOK-UHFFFAOYSA-N 0 0 234.361 2.568 10 30 BFEERN CCOC(=O)[C@@H]1O[C@]12CCC(C)(C)C[C@H]2C ZINC000250714088 541440208 /nfs/dbraw/zinc/44/02/08/541440208.db2.gz ZPYGGEZPYUJRKM-NRUUGDAUSA-N 0 0 226.316 2.533 10 30 BFEERN CCC[C@]1(CC)O[C@]1(CC)C(=O)OCC ZINC000233367319 541508458 /nfs/dbraw/zinc/50/84/58/541508458.db2.gz MWKXXBCJYSZGCP-NWDGAFQWSA-N 0 0 214.305 2.677 10 30 BFEERN CCOC(=O)[C@]1(CC)OC12CC(C(C)C)C2 ZINC000233729894 541509958 /nfs/dbraw/zinc/50/99/58/541509958.db2.gz PFWPQTMWXLCBHC-GDKBPFBDSA-N 0 0 226.316 2.533 10 30 BFEERN C=C(Cl)CNN1[C@H](C)CCC[C@H]1C ZINC000214979901 368072523 /nfs/dbraw/zinc/07/25/23/368072523.db2.gz OYXQOEWNOKTGON-NXEZZACHSA-N 0 0 202.729 2.506 10 30 BFEERN OCc1cccc(C#Cc2ccccc2)c1 ZINC000142526209 368348116 /nfs/dbraw/zinc/34/81/16/368348116.db2.gz YOLPZRFRLKMOOQ-UHFFFAOYSA-N 0 0 208.260 2.579 10 30 BFEERN O=C1C=C2CC[C@H]([C@@H]3CC[C@H](O)C3)C[C@H]2CC1 ZINC000105131859 368395302 /nfs/dbraw/zinc/39/53/02/368395302.db2.gz NYMYGWPWODIOAR-MDHDOXDCSA-N 0 0 234.339 2.853 10 30 BFEERN CC1(C)OC[C@@H](CC=O)[C@@H](c2ccccc2)O1 ZINC000059559652 368411976 /nfs/dbraw/zinc/41/19/76/368411976.db2.gz ZLWPKYPPQHITJE-CHWSQXEVSA-N 0 0 234.295 2.716 10 30 BFEERN N#Cc1ccc2cc(OC(F)F)ccc2n1 ZINC000218871024 368401438 /nfs/dbraw/zinc/40/14/38/368401438.db2.gz JAQNHSJASCEYMX-UHFFFAOYSA-N 0 0 220.178 2.708 10 30 BFEERN C=C(CCCCC(=O)OC)CCCC(=O)OC ZINC000039151266 368408158 /nfs/dbraw/zinc/40/81/58/368408158.db2.gz QJPHOLFLRRSSHB-UHFFFAOYSA-N 0 0 242.315 2.619 10 30 BFEERN N#C[C@H]1c2ccccc2OCc2ncccc21 ZINC000038674079 368409321 /nfs/dbraw/zinc/40/93/21/368409321.db2.gz DSYKJIHNLLOKEQ-GFCCVEGCSA-N 0 0 222.247 2.629 10 30 BFEERN C=C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000083813585 368822841 /nfs/dbraw/zinc/82/28/41/368822841.db2.gz NEWGUMJLCGZKSN-SECBINFHSA-N 0 0 218.174 2.805 10 30 BFEERN COc1ccc2ccccc2c1[C@H]1CO1 ZINC000055026982 369121867 /nfs/dbraw/zinc/12/18/67/369121867.db2.gz RTKPSSFVMXFMFE-GFCCVEGCSA-N 0 0 200.237 2.920 10 30 BFEERN C[C@H](C=O)Cc1cc(F)ccc1Cl ZINC000107190253 369331030 /nfs/dbraw/zinc/33/10/30/369331030.db2.gz QMAGZFIUYOCALO-ZETCQYMHSA-N 0 0 200.640 2.857 10 30 BFEERN Cc1cc(CN[C@@H]2CCCC[C@H]2C#N)sn1 ZINC000404308691 369426627 /nfs/dbraw/zinc/42/66/27/369426627.db2.gz GWBGOHIAOQIQNW-CMPLNLGQSA-N 0 0 235.356 2.624 10 30 BFEERN CCn1nc(-c2cccs2)cc1C#N ZINC000409443419 369978203 /nfs/dbraw/zinc/97/82/03/369978203.db2.gz MNYNJKPYUYETAF-UHFFFAOYSA-N 0 0 203.270 2.503 10 30 BFEERN CCOc1ccc(-c2cnc(C#N)o2)cc1 ZINC000409429401 369975352 /nfs/dbraw/zinc/97/53/52/369975352.db2.gz RMJUPTIJUOCBLC-UHFFFAOYSA-N 0 0 214.224 2.612 10 30 BFEERN CC[C@H](c1ccccc1)c1cc(C#N)ncn1 ZINC000409436688 369976784 /nfs/dbraw/zinc/97/67/84/369976784.db2.gz VHFBCMDSGHQQRL-CYBMUJFWSA-N 0 0 223.279 2.890 10 30 BFEERN O=[N+]([O-])c1ccc(/C=[N+](\[O-])c2ccccc2)cc1 ZINC000225395967 370515727 /nfs/dbraw/zinc/51/57/27/370515727.db2.gz IQCKWNXQLLLYGU-UVTDQMKNSA-N 0 0 243.242 2.747 10 30 BFEERN C=C(C)C(=O)OCCOCCCCCC ZINC000002571965 371597522 /nfs/dbraw/zinc/59/75/22/371597522.db2.gz QPFATNGVTDPILE-UHFFFAOYSA-N 0 0 214.305 2.703 10 30 BFEERN N#Cc1cc(NCc2ccccc2)ccc1N ZINC000131452000 371606425 /nfs/dbraw/zinc/60/64/25/371606425.db2.gz ZTABIYAEPBBWHH-UHFFFAOYSA-N 0 0 223.279 2.753 10 30 BFEERN C#C[C@H](CC)Nc1cncc(Br)c1 ZINC000230020446 371636608 /nfs/dbraw/zinc/63/66/08/371636608.db2.gz AFECVEIWLKSJSA-SECBINFHSA-N 0 0 239.116 2.668 10 30 BFEERN C#C[C@H](CC)Nc1cc(Cl)nc(SC)n1 ZINC000230020957 371637265 /nfs/dbraw/zinc/63/72/65/371637265.db2.gz CYULJWHDIUYSDG-SSDOTTSWSA-N 0 0 241.747 2.676 10 30 BFEERN CCSc1ccc(Cl)c(C#N)c1N ZINC000131858712 371698709 /nfs/dbraw/zinc/69/87/09/371698709.db2.gz KCLBYNZAURPDOT-UHFFFAOYSA-N 0 0 212.705 2.906 10 30 BFEERN N#CCc1ncc(Br)cc1Cl ZINC000216490352 371756932 /nfs/dbraw/zinc/75/69/32/371756932.db2.gz SPUABSOFIGYJTJ-UHFFFAOYSA-N 0 0 231.480 2.564 10 30 BFEERN Cc1cc(CC#N)c(F)cc1Br ZINC000216525025 371763426 /nfs/dbraw/zinc/76/34/26/371763426.db2.gz BJIDGKVVRDUBKM-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN N#Cc1cc(F)cc(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000602725935 371834620 /nfs/dbraw/zinc/83/46/20/371834620.db2.gz RPETZCIVUWDFKZ-UONOGXRCSA-N 0 0 246.285 2.677 10 30 BFEERN CC[C@@H](C#N)Oc1ccc(Br)nc1 ZINC000230302029 371889136 /nfs/dbraw/zinc/88/91/36/371889136.db2.gz KVZAQOCIQGZJHV-ZETCQYMHSA-N 0 0 241.088 2.525 10 30 BFEERN C#CCCC[C@]1(O)CSCCC1(C)C ZINC000163270374 371962697 /nfs/dbraw/zinc/96/26/97/371962697.db2.gz XWRNTSNHJGGVAF-LBPRGKRZSA-N 0 0 212.358 2.684 10 30 BFEERN N#CCc1c(O)cc(Cl)cc1Br ZINC000217559249 371978690 /nfs/dbraw/zinc/97/86/90/371978690.db2.gz ICYBIWOMMSWIMK-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN COc1c(F)cc(Br)cc1CC#N ZINC000217432567 371954897 /nfs/dbraw/zinc/95/48/97/371954897.db2.gz HSXBZSYKMKYSDB-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN Cc1cnc([C@@H](C)NCc2cc(C#N)cs2)o1 ZINC000231526913 372047210 /nfs/dbraw/zinc/04/72/10/372047210.db2.gz GNNZBYBLZGRGFP-SECBINFHSA-N 0 0 247.323 2.767 10 30 BFEERN C[C@@]1(c2ccccc2Cl)CC[C@@H](C=O)O1 ZINC000307282497 372108040 /nfs/dbraw/zinc/10/80/40/372108040.db2.gz LCAYAMZUTIJKLO-CABZTGNLSA-N 0 0 224.687 2.933 10 30 BFEERN CC1(C(=O)N[C@@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000232228525 372117324 /nfs/dbraw/zinc/11/73/24/372117324.db2.gz JUOSLEOHESQUEV-VXGBXAGGSA-N 0 0 234.343 2.765 10 30 BFEERN C=C(Cl)CNc1nc(Cl)ncc1Cl ZINC000229315004 372141236 /nfs/dbraw/zinc/14/12/36/372141236.db2.gz RIKIQHVOUOCPFS-UHFFFAOYSA-N 0 0 238.505 2.948 10 30 BFEERN CC(=O)/C=C\c1occc1Br ZINC000307900450 372153195 /nfs/dbraw/zinc/15/31/95/372153195.db2.gz RWZASGUBOFOBQQ-IHWYPQMZSA-N 0 0 215.046 2.644 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)c1ccoc1Cl ZINC000232707975 372154746 /nfs/dbraw/zinc/15/47/46/372154746.db2.gz OOAFUBKREGLEKZ-MRVPVSSYSA-N 0 0 211.648 2.911 10 30 BFEERN C=C[C@H](C)Nc1cc(Cl)nnc1Cl ZINC000229244874 372131677 /nfs/dbraw/zinc/13/16/77/372131677.db2.gz AHPLUDWSYXBZPC-YFKPBYRVSA-N 0 0 218.087 2.770 10 30 BFEERN O=C1C=CO[C@H](c2ccccc2Cl)C1 ZINC000038317859 372533380 /nfs/dbraw/zinc/53/33/80/372533380.db2.gz CRBDKHDPOSZABM-NSHDSACASA-N 0 0 208.644 2.884 10 30 BFEERN C=CCc1cccc(Br)c1O ZINC000039425505 372969982 /nfs/dbraw/zinc/96/99/82/372969982.db2.gz PTJOFMJOMTXHGU-UHFFFAOYSA-N 0 0 213.074 2.883 10 30 BFEERN N#Cc1cc(N)ccc1OCc1cccc(F)c1 ZINC000040887393 373862342 /nfs/dbraw/zinc/86/23/42/373862342.db2.gz GNURHKSRCPKWBW-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#CCC[C@H](O)c1cccc(Br)c1 ZINC000041283108 374128539 /nfs/dbraw/zinc/12/85/39/374128539.db2.gz BCYUOLBQDZDZDN-JTQLQIEISA-N 0 0 240.100 2.786 10 30 BFEERN Cc1ccc([C@H](C#N)N2CCCC2)s1 ZINC000041677106 374173684 /nfs/dbraw/zinc/17/36/84/374173684.db2.gz QGORXOIPQIHNIW-JTQLQIEISA-N 0 0 206.314 2.717 10 30 BFEERN N#C[C@@H]1CCO[C@H]1c1cccc(Cl)c1 ZINC000070672129 374175172 /nfs/dbraw/zinc/17/51/72/374175172.db2.gz ZUHKMKNPGYZXHQ-ONGXEEELSA-N 0 0 207.660 2.941 10 30 BFEERN N#CC(c1cccc(F)c1)C(F)(F)F ZINC000071611037 374278194 /nfs/dbraw/zinc/27/81/94/374278194.db2.gz XLQQVGVQZVYFQK-QMMMGPOBSA-N 0 0 203.138 2.995 10 30 BFEERN O=CCCc1ccc(Br)cc1F ZINC000060710370 182850824 /nfs/dbraw/zinc/85/08/24/182850824.db2.gz MMQZEBPLYXTLOR-UHFFFAOYSA-N 0 0 231.064 2.720 10 30 BFEERN CCN(CCC#N)C(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000042454194 169814761 /nfs/dbraw/zinc/81/47/61/169814761.db2.gz ZRZNOGVRDOWMIT-XQQFMLRXSA-N 0 0 234.343 2.575 10 30 BFEERN O=[N+]([O-])c1ccc(N=NC2C[C@@H]3CC=C[C@@H]23)cc1 ZINC000036261364 182934162 /nfs/dbraw/zinc/93/41/62/182934162.db2.gz UMWAQZYZZVEAOD-TUKVHPRHSA-N 0 0 243.266 2.959 10 30 BFEERN CCCN(CC1CC1)c1ccc(C#N)cc1N ZINC000036198056 169137404 /nfs/dbraw/zinc/13/74/04/169137404.db2.gz PEXBXOTVIHEOEI-UHFFFAOYSA-N 0 0 229.327 2.767 10 30 BFEERN Oc1cccc(C=NNc2ccc(F)cc2)c1 ZINC000058633177 183287142 /nfs/dbraw/zinc/28/71/42/183287142.db2.gz JMRLFIRVSBAERU-OQLLNIDSSA-N 0 0 230.242 2.977 10 30 BFEERN Oc1cccc(C=NNc2ccccc2)c1O ZINC000026282139 183287342 /nfs/dbraw/zinc/28/73/42/183287342.db2.gz AYNUFOXOXWDXFZ-NTEUORMPSA-N 0 0 228.251 2.544 10 30 BFEERN CCCN[C@H](C#N)c1ccc(F)c(F)c1 ZINC000020380568 169284118 /nfs/dbraw/zinc/28/41/18/169284118.db2.gz OCZDWSHAANIHST-LLVKDONJSA-N 0 0 210.227 2.529 10 30 BFEERN CCCO[C@H]1CCCN([C@@H](CC)CC#N)C1 ZINC000042422237 169312698 /nfs/dbraw/zinc/31/26/98/169312698.db2.gz LNPHIPHATXGSBO-STQMWFEESA-N 0 0 224.348 2.570 10 30 BFEERN CCCNc1cc(-c2ccc(C#N)cc2)[nH]n1 ZINC000062668120 169293580 /nfs/dbraw/zinc/29/35/80/169293580.db2.gz FDGPNISJXJQPLK-UHFFFAOYSA-N 0 0 226.283 2.770 10 30 BFEERN CCC[C@@H](CC)NC(=O)[C@H](C#N)CCC ZINC000050405561 169342680 /nfs/dbraw/zinc/34/26/80/169342680.db2.gz VUQUGNQKKFZLNJ-WDEREUQCSA-N 0 0 210.321 2.621 10 30 BFEERN CCCOc1cccc2c1ncc(C#N)c2NC ZINC000050842166 169325772 /nfs/dbraw/zinc/32/57/72/169325772.db2.gz BLMJTQQVFFWVKA-UHFFFAOYSA-N 0 0 241.294 2.937 10 30 BFEERN CCCOc1cccc([C@@H](C#N)NCC)c1 ZINC000020176614 169326211 /nfs/dbraw/zinc/32/62/11/169326211.db2.gz QFYCHSIPIXMLCY-CYBMUJFWSA-N 0 0 218.300 2.650 10 30 BFEERN CCCOc1cccc2c1CC/C2=N\O ZINC000062800276 169326241 /nfs/dbraw/zinc/32/62/41/169326241.db2.gz FQHROTDNUAPNNO-ACCUITESSA-N 0 0 205.257 2.600 10 30 BFEERN CCC[C@@H](C)C(=O)Nc1ccc(N)cc1C#N ZINC000036737731 169353455 /nfs/dbraw/zinc/35/34/55/169353455.db2.gz ZZVBICWXPMNMKV-SECBINFHSA-N 0 0 231.299 2.515 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1cc(C#N)ccn1 ZINC000288290042 169434485 /nfs/dbraw/zinc/43/44/85/169434485.db2.gz HPGSYPDOUDUGOS-MNOVXSKESA-N 0 0 201.273 2.554 10 30 BFEERN C[C@@H](C#N)N1CCSC2(CCCCC2)C1 ZINC000181973858 134340910 /nfs/dbraw/zinc/34/09/10/134340910.db2.gz JDOUXTKAAGTGQU-NSHDSACASA-N 0 0 224.373 2.650 10 30 BFEERN O=CCCCCCOCc1ccccc1 ZINC000001650560 383915106 /nfs/dbraw/zinc/91/51/06/383915106.db2.gz OKBHPVOFRDHZPQ-UHFFFAOYSA-N 0 0 206.285 2.963 10 30 BFEERN COc1ccc(CC#N)c(C(F)(F)F)c1C#N ZINC000575648411 383893619 /nfs/dbraw/zinc/89/36/19/383893619.db2.gz QHWKZEAWRPUDEQ-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN C#CCCCNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000173376803 533037650 /nfs/dbraw/zinc/03/76/50/533037650.db2.gz RLBYYGVFRHGYPD-GFCCVEGCSA-N 0 0 246.310 2.540 10 30 BFEERN CC[C@H](Nc1ccc(C)c(C#N)n1)C(C)C ZINC000336737638 384262501 /nfs/dbraw/zinc/26/25/01/384262501.db2.gz NMFQJNZVPOQTEM-NSHDSACASA-N 0 0 217.316 2.530 10 30 BFEERN CC(C)c1nsc(Br)c1C#N ZINC000097758465 384275378 /nfs/dbraw/zinc/27/53/78/384275378.db2.gz BPOCZINOHJTORY-UHFFFAOYSA-N 0 0 231.118 2.901 10 30 BFEERN C[C@@H](Nc1ccc([N+](=O)[O-])c(C#N)n1)C(C)(C)C ZINC000235258839 384299399 /nfs/dbraw/zinc/29/93/99/384299399.db2.gz SGWYKPMIZVHFES-MRVPVSSYSA-N 0 0 248.286 2.708 10 30 BFEERN O=CCSc1nc2ccccc2s1 ZINC000043803902 384301881 /nfs/dbraw/zinc/30/18/81/384301881.db2.gz IQSOOBVPIMFQEO-UHFFFAOYSA-N 0 0 209.295 2.587 10 30 BFEERN CCC[C@H](CC)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233348836 384335088 /nfs/dbraw/zinc/33/50/88/384335088.db2.gz XVTWOCFQGOEBRY-VIFPVBQESA-N 0 0 248.286 2.852 10 30 BFEERN Fc1ccc(C[C@H]2COCC[C@H]2S)cc1 ZINC000095077120 384353377 /nfs/dbraw/zinc/35/33/77/384353377.db2.gz JVMLZIVVMNDBMK-CMPLNLGQSA-N 0 0 226.316 2.703 10 30 BFEERN Fc1ccc(C[C@H]2COCC[C@@H]2S)cc1 ZINC000095077118 384353401 /nfs/dbraw/zinc/35/34/01/384353401.db2.gz JVMLZIVVMNDBMK-JQWIXIFHSA-N 0 0 226.316 2.703 10 30 BFEERN C[C@H]1OCC[C@@H]1Nc1cccc(Cl)c1C#N ZINC000134559275 384353691 /nfs/dbraw/zinc/35/36/91/384353691.db2.gz MKSPELFFGRUHQL-KCJUWKMLSA-N 0 0 236.702 2.801 10 30 BFEERN COc1cc(CC#N)cc(OC(F)F)c1F ZINC000575660228 384409274 /nfs/dbraw/zinc/40/92/74/384409274.db2.gz PYJRMNGDBJSGPI-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN Cc1c(OC(F)F)ccc(F)c1CC#N ZINC000575661383 384415526 /nfs/dbraw/zinc/41/55/26/384415526.db2.gz NTCIUSPHONGQJA-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN C/C=C/CCNc1ccc(C#N)cc1[N+](=O)[O-] ZINC000134666367 384381491 /nfs/dbraw/zinc/38/14/91/384381491.db2.gz RUUPRUHNWWLMFP-NSCUHMNNSA-N 0 0 231.255 2.845 10 30 BFEERN CCOc1ccc(OC(F)F)c(C)c1C#N ZINC000575657369 384386781 /nfs/dbraw/zinc/38/67/81/384386781.db2.gz LWICTVROMAMNPN-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN Cc1ccc([N+](=O)[O-])c(OC(F)F)c1CC#N ZINC000575667461 384441724 /nfs/dbraw/zinc/44/17/24/384441724.db2.gz NJBOOAPLDYEOFV-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN Cc1cc([N+](=O)[O-])c(CC#N)cc1C(F)(F)F ZINC000575673398 384475200 /nfs/dbraw/zinc/47/52/00/384475200.db2.gz ISQCSCRUENPHSX-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN Cc1cc(C#N)n(-c2ccc(CO)cc2)c1Cl ZINC000098178573 384499713 /nfs/dbraw/zinc/49/97/13/384499713.db2.gz KRHWXBGNGQCSOB-UHFFFAOYSA-N 0 0 246.697 2.803 10 30 BFEERN C#CCN(C(=O)[C@H]1CCC[C@H]1C)C1CCCC1 ZINC000490934100 384508288 /nfs/dbraw/zinc/50/82/88/384508288.db2.gz HJQUEGDHFQKXCD-OCCSQVGLSA-N 0 0 233.355 2.827 10 30 BFEERN COc1cc(C#N)c(C(F)(F)F)cc1OC ZINC000258403393 384583397 /nfs/dbraw/zinc/58/33/97/384583397.db2.gz KSHIDXZOLLWLHQ-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN CC[C@@H](NC(=O)C(C)(C)C#N)c1ccccc1 ZINC000050197528 384604072 /nfs/dbraw/zinc/60/40/72/384604072.db2.gz GTBAFHNTJVOXKJ-GFCCVEGCSA-N 0 0 230.311 2.804 10 30 BFEERN CCOc1ccccc1[C@@H](C)NCCC#N ZINC000020199829 384597446 /nfs/dbraw/zinc/59/74/46/384597446.db2.gz RONRWKMKAMTCLK-LLVKDONJSA-N 0 0 218.300 2.650 10 30 BFEERN C/C=C\C(=O)C1=C(C)C[C@@H](O)CC1(C)C ZINC000100351947 384635746 /nfs/dbraw/zinc/63/57/46/384635746.db2.gz UPRXEFYRIACHQZ-WWQCOOJYSA-N 0 0 208.301 2.629 10 30 BFEERN Cc1cc(N[C@H]2CCCSC2)c(C#N)c(C)n1 ZINC000158084780 384817689 /nfs/dbraw/zinc/81/76/89/384817689.db2.gz KYGFXUXUGXSLKW-NSHDSACASA-N 0 0 247.367 2.878 10 30 BFEERN COc1cc(SC)cc(F)c1CC#N ZINC000575708321 384815252 /nfs/dbraw/zinc/81/52/52/384815252.db2.gz MVSDSEKXVNKEQS-UHFFFAOYSA-N 0 0 211.261 2.622 10 30 BFEERN CCOc1ccc(N)c(CC#N)c1C(F)(F)F ZINC000575717284 384884468 /nfs/dbraw/zinc/88/44/68/384884468.db2.gz DULMOFLYEQVBCN-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN CCc1cc(C(F)(F)F)c(CC#N)cc1N ZINC000575718242 384887869 /nfs/dbraw/zinc/88/78/69/384887869.db2.gz GVYQXQCTBBVUGR-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN O=CCCCOc1ccc(Br)cc1 ZINC000060710495 384859484 /nfs/dbraw/zinc/85/94/84/384859484.db2.gz IZNJNVIAKXAERZ-UHFFFAOYSA-N 0 0 243.100 2.807 10 30 BFEERN CC[C@@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233867792 384860983 /nfs/dbraw/zinc/86/09/83/384860983.db2.gz NOOGFWBMSIKYGA-BDAKNGLRSA-N 0 0 248.286 2.708 10 30 BFEERN C[C@]1(c2ccccc2C(F)(F)F)CO1 ZINC000055032407 384866757 /nfs/dbraw/zinc/86/67/57/384866757.db2.gz YUSBYYGGAIUFJP-SECBINFHSA-N 0 0 202.175 2.951 10 30 BFEERN N#CCc1c(N)c(Cl)ccc1Br ZINC000575714926 384867205 /nfs/dbraw/zinc/86/72/05/384867205.db2.gz WAEKSTXNAMQZGU-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN O/N=C/c1ccc(N2CCCCC2)s1 ZINC000057324146 384939119 /nfs/dbraw/zinc/93/91/19/384939119.db2.gz PMPHQMDSXHXRNW-DHZHZOJOSA-N 0 0 210.302 2.547 10 30 BFEERN C=CC[C@@H](CO)Nc1c(Cl)cccc1C#N ZINC000302142736 384975443 /nfs/dbraw/zinc/97/54/43/384975443.db2.gz PQGDELZOFYLHTA-JTQLQIEISA-N 0 0 236.702 2.561 10 30 BFEERN O=CCCc1ccc(OC(F)(F)F)cc1 ZINC000060710356 385094815 /nfs/dbraw/zinc/09/48/15/385094815.db2.gz WDBZNHBLOQRKQJ-UHFFFAOYSA-N 0 0 218.174 2.717 10 30 BFEERN Cc1cc(C)c2ncc(C#N)c(N(C)C)c2c1 ZINC000062611903 385247185 /nfs/dbraw/zinc/24/71/85/385247185.db2.gz STMCWYSUGROYME-UHFFFAOYSA-N 0 0 225.295 2.789 10 30 BFEERN C#CC[C@H](C)NC(=O)[C@H]1CCCc2sccc21 ZINC000157745256 385271181 /nfs/dbraw/zinc/27/11/81/385271181.db2.gz JYSXRJDMZUBRIW-JQWIXIFHSA-N 0 0 247.363 2.696 10 30 BFEERN Cc1sccc1CN[C@@H]1CCC[C@@H]1C#N ZINC000309091503 385414021 /nfs/dbraw/zinc/41/40/21/385414021.db2.gz DRTMGAOHCUZWNZ-ZYHUDNBSSA-N 0 0 220.341 2.838 10 30 BFEERN Cc1sccc1CN[C@H]1CCC[C@@H]1C#N ZINC000309091502 385414374 /nfs/dbraw/zinc/41/43/74/385414374.db2.gz DRTMGAOHCUZWNZ-PWSUYJOCSA-N 0 0 220.341 2.838 10 30 BFEERN COc1cc(C(F)(F)F)cc(C)c1C#N ZINC000259541454 385578552 /nfs/dbraw/zinc/57/85/52/385578552.db2.gz GITANWPSWPJIHA-UHFFFAOYSA-N 0 0 215.174 2.894 10 30 BFEERN CC[C@H]1CCCC[C@H]1N(C)c1nccc(C#N)n1 ZINC000408459747 385727289 /nfs/dbraw/zinc/72/72/89/385727289.db2.gz ZJYXIFZFUFGWOO-WCQYABFASA-N 0 0 244.342 2.753 10 30 BFEERN N#CCc1cc(Cl)c(Cl)cc1O ZINC000307003638 385828526 /nfs/dbraw/zinc/82/85/26/385828526.db2.gz IWLFVLIARGTABH-UHFFFAOYSA-N 0 0 202.040 2.765 10 30 BFEERN CC1(c2cccc(C#N)c2)CCC(=O)CC1 ZINC000021988575 385886660 /nfs/dbraw/zinc/88/66/60/385886660.db2.gz LLRQFYWLCIYCQT-UHFFFAOYSA-N 0 0 213.280 2.959 10 30 BFEERN C[C@@H]1CC[C@](C#N)(NCc2ccccc2)CS1 ZINC000575534717 385898217 /nfs/dbraw/zinc/89/82/17/385898217.db2.gz MLGWQPCDLGTKLF-TZMCWYRMSA-N 0 0 246.379 2.954 10 30 BFEERN CC[C@@H](C#N)Oc1cc(Cl)ccc1N ZINC000051609439 385860934 /nfs/dbraw/zinc/86/09/34/385860934.db2.gz TYAAPDXBLLDYCN-QMMMGPOBSA-N 0 0 210.664 2.603 10 30 BFEERN CCC(C)(C)CC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408331345 386098394 /nfs/dbraw/zinc/09/83/94/386098394.db2.gz QXMOFPMDQJTSSR-WDEREUQCSA-N 0 0 222.332 2.621 10 30 BFEERN CCC(C)(C)CC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408331343 386098614 /nfs/dbraw/zinc/09/86/14/386098614.db2.gz QXMOFPMDQJTSSR-MNOVXSKESA-N 0 0 222.332 2.621 10 30 BFEERN C[C@H](S)c1cncc(Br)c1 ZINC000575570886 386136446 /nfs/dbraw/zinc/13/64/46/386136446.db2.gz XJSAAFCYIXMZIP-YFKPBYRVSA-N 0 0 218.119 2.835 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)N(CC#N)C1CCCC1 ZINC000230058222 386327445 /nfs/dbraw/zinc/32/74/45/386327445.db2.gz DCYZEARANRCUQN-DGCLKSJQSA-N 0 0 234.343 2.717 10 30 BFEERN C[C@H]1CC[C@](O)(c2cccc(C#N)c2)C1 ZINC000521400469 386445789 /nfs/dbraw/zinc/44/57/89/386445789.db2.gz AALBEBAQAZROEY-GXFFZTMASA-N 0 0 201.269 2.566 10 30 BFEERN C[C@@H]1CC[C@@](O)(c2cccc(C#N)c2)C1 ZINC000521400470 386446169 /nfs/dbraw/zinc/44/61/69/386446169.db2.gz AALBEBAQAZROEY-MFKMUULPSA-N 0 0 201.269 2.566 10 30 BFEERN CCc1cc(CC#N)cc(OC(F)F)c1C#N ZINC000575639114 386560580 /nfs/dbraw/zinc/56/05/80/386560580.db2.gz CYSDOIZOZNNUJO-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN Cc1cc(CC#N)cc(OC(F)F)c1C#N ZINC000575641231 386572554 /nfs/dbraw/zinc/57/25/54/386572554.db2.gz OSUKMPKVICQIKT-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN N#CCNc1cc(F)cc(Br)c1 ZINC000307429457 386650009 /nfs/dbraw/zinc/65/00/09/386650009.db2.gz UZWHHSYIHZVQGQ-UHFFFAOYSA-N 0 0 229.052 2.524 10 30 BFEERN COC(=O)c1cc(F)c(C#N)cc1C(F)(F)F ZINC000575345164 386709261 /nfs/dbraw/zinc/70/92/61/386709261.db2.gz ZLQKOMZHIJZEMU-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN COC(=O)c1cc(F)c(C#N)c(C(F)(F)F)c1 ZINC000575344968 386711481 /nfs/dbraw/zinc/71/14/81/386711481.db2.gz KVQCYSUMWSHDAL-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN COC(=O)Cc1ccc(C#N)c(C(F)F)c1C ZINC000575344246 386690486 /nfs/dbraw/zinc/69/04/86/386690486.db2.gz YDKHIOMVDAQHHI-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN CC(C)(CO)S[C@H]1CCCC[C@H]1C#N ZINC000307570670 386732889 /nfs/dbraw/zinc/73/28/89/386732889.db2.gz DPRNAIYOXNZQCP-UWVGGRQHSA-N 0 0 213.346 2.573 10 30 BFEERN CC(C)=CC(=O)c1ccc(N2CCOCC2)cc1 ZINC000575358870 386757940 /nfs/dbraw/zinc/75/79/40/386757940.db2.gz WBLGUZFUTXYBPF-UHFFFAOYSA-N 0 0 245.322 2.672 10 30 BFEERN CCOC(=O)Cc1c(CC)ccc(C#N)c1CC ZINC000575385360 386943899 /nfs/dbraw/zinc/94/38/99/386943899.db2.gz MTNOSIRLFRTEQC-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)Cc1c(C)cc(C#N)cc1CC ZINC000575388974 386952827 /nfs/dbraw/zinc/95/28/27/386952827.db2.gz OBYFSQUSHNIDRI-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOC(=O)Cc1cc(CC)cc(C#N)c1C ZINC000575388788 386953552 /nfs/dbraw/zinc/95/35/52/386953552.db2.gz FUWRAHZWRHKGSQ-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOC(=O)c1cc(F)c(C(F)F)cc1C#N ZINC000575389981 386954641 /nfs/dbraw/zinc/95/46/41/386954641.db2.gz YAPDAYSKSOUNPO-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)c1cc(F)c(C#N)cc1C(F)F ZINC000575389980 386955181 /nfs/dbraw/zinc/95/51/81/386955181.db2.gz XYSTWZQPDIVYQA-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN COC(=O)c1ccc(C#N)c(C)c1C(F)(F)F ZINC000575395286 386996520 /nfs/dbraw/zinc/99/65/20/386996520.db2.gz WMTRBOMOCCEXAZ-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1c(C)cc(C#N)cc1C(F)(F)F ZINC000575395285 386996909 /nfs/dbraw/zinc/99/69/09/386996909.db2.gz WMLXICORZIFJRO-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN Cc1cc(OC(F)F)c(CC#N)cc1F ZINC000575661301 387067543 /nfs/dbraw/zinc/06/75/43/387067543.db2.gz KWIDKLWGTVUODH-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN CCOc1ccc(C#N)c(F)c1OC(F)F ZINC000575655024 387037369 /nfs/dbraw/zinc/03/73/69/387037369.db2.gz GWCBJEKOLQMVQY-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN Cc1cc(OC(F)F)cc(C)c1CC#N ZINC000575654843 387037688 /nfs/dbraw/zinc/03/76/88/387037688.db2.gz SVFJHIQTNHETHR-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN CCOc1c(C)c(C#N)ccc1OC(F)F ZINC000575656850 387042654 /nfs/dbraw/zinc/04/26/54/387042654.db2.gz KLKMNAYOMQVTPK-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1c(C)ccc(C#N)c1OC(F)F ZINC000575656654 387042664 /nfs/dbraw/zinc/04/26/64/387042664.db2.gz JEPRMJJPNHYVQW-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1ccc(OC(F)F)c(F)c1CC#N ZINC000575657856 387043970 /nfs/dbraw/zinc/04/39/70/387043970.db2.gz WKZVXYHGONTIKS-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCc1c(OC)ccc(OC(F)F)c1CC#N ZINC000575657805 387044308 /nfs/dbraw/zinc/04/43/08/387044308.db2.gz PNTQEUZKXGEGJU-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCc1c(OC(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575658042 387045236 /nfs/dbraw/zinc/04/52/36/387045236.db2.gz FFRWTZXNPCIMPB-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN CCOc1c(OC(F)F)ccc(F)c1CC#N ZINC000575657891 387046435 /nfs/dbraw/zinc/04/64/35/387046435.db2.gz XJNMCFOKMUWOPC-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN C/C=C/C(=O)c1ccncc1Br ZINC000575580266 387047965 /nfs/dbraw/zinc/04/79/65/387047965.db2.gz ZAYPNWSWVQAQIC-NSCUHMNNSA-N 0 0 226.073 2.603 10 30 BFEERN CCOc1cc(C)cc(OC(F)F)c1C#N ZINC000575658810 387049953 /nfs/dbraw/zinc/04/99/53/387049953.db2.gz WGMPSRPCGWUBCP-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN COc1ccc(OC(F)F)c(F)c1CC#N ZINC000575660271 387054186 /nfs/dbraw/zinc/05/41/86/387054186.db2.gz QVIQURREARPOBW-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN CN[C@H](C#N)c1cc2cscc2s1 ZINC000575478576 387163410 /nfs/dbraw/zinc/16/34/10/387163410.db2.gz IBSFYNSUHWRIRT-SSDOTTSWSA-N 0 0 208.311 2.747 10 30 BFEERN Cc1cccc(Br)c1NCC#N ZINC000575482137 387180791 /nfs/dbraw/zinc/18/07/91/387180791.db2.gz VZPMYACPRCKMLB-UHFFFAOYSA-N 0 0 225.089 2.693 10 30 BFEERN Cc1c(CC#N)cc([N+](=O)[O-])cc1OC(F)F ZINC000575665928 387316016 /nfs/dbraw/zinc/31/60/16/387316016.db2.gz FWLDYXQIPHPTMD-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN C=CCNc1c(N)cccc1Br ZINC000575490623 387259562 /nfs/dbraw/zinc/25/95/62/387259562.db2.gz QMFGKJWPOHONJR-UHFFFAOYSA-N 0 0 227.105 2.629 10 30 BFEERN CSc1ccc([C@H]2C[C@@H]2/C=N/O)cc1 ZINC000575602940 387367052 /nfs/dbraw/zinc/36/70/52/387367052.db2.gz WMAMDKRSDIIIMH-PIOLWEACSA-N 0 0 207.298 2.972 10 30 BFEERN N#CCc1ccc(C(F)F)c(F)c1O ZINC000575668495 387327009 /nfs/dbraw/zinc/32/70/09/387327009.db2.gz RBODUVIBSCEECW-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN N#Cc1cc([N+](=O)[O-])cc(C(F)F)c1F ZINC000575669662 387328337 /nfs/dbraw/zinc/32/83/37/387328337.db2.gz IIQAMBNMTHNITD-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN N#Cc1cc(F)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575669658 387329499 /nfs/dbraw/zinc/32/94/99/387329499.db2.gz IBXBLSOXBXFPGS-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN Cc1cc(C#N)cc([N+](=O)[O-])c1C(F)F ZINC000575672353 387337829 /nfs/dbraw/zinc/33/78/29/387337829.db2.gz ZPRMHZBYTSQCLZ-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN Cc1c(C(F)(F)F)ccc(N)c1CC#N ZINC000575719299 387427307 /nfs/dbraw/zinc/42/73/07/387427307.db2.gz AGODSEWCVHHPHZ-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN CCOc1cc(C(F)(F)F)cc(CC#N)c1N ZINC000575717487 387436897 /nfs/dbraw/zinc/43/68/97/387436897.db2.gz HRDFHZNBKMFXFX-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN CCOc1c(CC)cc(F)cc1CC#N ZINC000575696251 387395759 /nfs/dbraw/zinc/39/57/59/387395759.db2.gz MFFAKFBSUMXHIU-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN N#CCc1cc(F)c(C(F)(F)F)cc1O ZINC000575704564 387402542 /nfs/dbraw/zinc/40/25/42/387402542.db2.gz XTPCJFQCORZOJO-UHFFFAOYSA-N 0 0 219.137 2.616 10 30 BFEERN COc1cc(F)c(OC(F)(F)F)c(CC#N)c1 ZINC000575708721 387414162 /nfs/dbraw/zinc/41/41/62/387414162.db2.gz ORQDNHNHCMKKDS-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN COC(=O)c1c(C#N)c(Cl)ccc1C(F)F ZINC000575712099 387415648 /nfs/dbraw/zinc/41/56/48/387415648.db2.gz FHKAUQMNLFHDPM-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN COC(=O)c1cc(C#N)cc(C(F)F)c1Cl ZINC000575712899 387417260 /nfs/dbraw/zinc/41/72/60/387417260.db2.gz NIBKLFPGTPPUSO-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN COC(=O)c1cc(Cl)cc(C(F)F)c1C#N ZINC000575713390 387417311 /nfs/dbraw/zinc/41/73/11/387417311.db2.gz UXOBKJLXENGKKO-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN N#CCc1cc(N)c(Cl)c(OC(F)F)c1 ZINC000575714242 387419073 /nfs/dbraw/zinc/41/90/73/387419073.db2.gz GASJPNUQXPQOTN-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN N#CCc1cc(Br)c(N)cc1Cl ZINC000575714003 387419429 /nfs/dbraw/zinc/41/94/29/387419429.db2.gz IPVPIXLEJZIACZ-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN CCOC(=O)[C@H](C#N)C1C[C@H]2CC[C@@H](C1)C2C ZINC000584599653 387501432 /nfs/dbraw/zinc/50/14/32/387501432.db2.gz GULHVEORXBPAGA-APSDNXJZSA-N 0 0 235.327 2.762 10 30 BFEERN C[C@H]1CC[C@@](C#N)(NCc2ccccc2)CS1 ZINC000575534707 387574479 /nfs/dbraw/zinc/57/44/79/387574479.db2.gz MLGWQPCDLGTKLF-JSGCOSHPSA-N 0 0 246.379 2.954 10 30 BFEERN C=C(Br)C[NH2+]C1(C)CC=CC1 ZINC000575559478 387702914 /nfs/dbraw/zinc/70/29/14/387702914.db2.gz GOXWQXCUSHAZMY-UHFFFAOYSA-N 0 0 216.122 2.593 10 30 BFEERN N#CCc1nc(Cl)ccc1OC(F)(F)F ZINC000238535157 387873152 /nfs/dbraw/zinc/87/31/52/387873152.db2.gz XERDCOLESHWSKI-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1 ZINC000061888651 387848681 /nfs/dbraw/zinc/84/86/81/387848681.db2.gz PIZOLRYWOLYOHO-ZYHUDNBSSA-N 0 0 248.713 2.762 10 30 BFEERN Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1C ZINC000061888615 387848760 /nfs/dbraw/zinc/84/87/60/387848760.db2.gz HWUSMLSHGRMXBJ-TZMCWYRMSA-N 0 0 242.322 2.726 10 30 BFEERN CCOc1c(C#N)cc(CC)cc1CC#N ZINC000575642841 387864578 /nfs/dbraw/zinc/86/45/78/387864578.db2.gz JVWGWTPBIRCOGT-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN CCOc1cc(CC)c(C#N)cc1CC#N ZINC000575643231 387867826 /nfs/dbraw/zinc/86/78/26/387867826.db2.gz OHDGXDNFUUTFPI-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN COc1cc(C#N)cc(CC#N)c1C(F)F ZINC000575643795 387868433 /nfs/dbraw/zinc/86/84/33/387868433.db2.gz ULAWQSBAPOZVKE-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN Cc1cc(C(F)(F)F)cc(C#N)c1CC#N ZINC000575650814 387892231 /nfs/dbraw/zinc/89/22/31/387892231.db2.gz ZZLOHKMYXLXMDQ-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN Cc1cc(OC(F)F)c(C)cc1CC#N ZINC000575653714 387896330 /nfs/dbraw/zinc/89/63/30/387896330.db2.gz DPBWKYYAUWUZNQ-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN CCOc1cc(C#N)c(CC)cc1CC#N ZINC000575644576 387876318 /nfs/dbraw/zinc/87/63/18/387876318.db2.gz YQXXCAZKFHZPFR-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN N#CCc1c(C#N)ccc(F)c1C(F)(F)F ZINC000575646563 387882172 /nfs/dbraw/zinc/88/21/72/387882172.db2.gz IRXNWXXWRRWKAK-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN Cc1cc(C#N)c(C(F)(F)F)c(CC#N)c1 ZINC000575647746 387883738 /nfs/dbraw/zinc/88/37/38/387883738.db2.gz MIQLDULHHQUDST-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN N#CCc1cc(C#N)c(F)cc1OC(F)(F)F ZINC000575648986 387886293 /nfs/dbraw/zinc/88/62/93/387886293.db2.gz SGGJQKYYIRTFOK-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN N#CCc1cc(C#N)cc(OC(F)(F)F)c1F ZINC000575649057 387886313 /nfs/dbraw/zinc/88/63/13/387886313.db2.gz SUSBJQJCLYPBMM-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN CCc1ccc(C#N)c([N+](=O)[O-])c1CC ZINC000575652278 387900594 /nfs/dbraw/zinc/90/05/94/387900594.db2.gz OINMDOYDUHEFFQ-UHFFFAOYSA-N 0 0 204.229 2.591 10 30 BFEERN O=C(/C=C/Cl)[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000575521006 388357265 /nfs/dbraw/zinc/35/72/65/388357265.db2.gz LIENCRCSBDHNKK-SBOTZYIVSA-N 0 0 206.619 2.599 10 30 BFEERN CCc1ccc(C(=O)OC)c(C#N)c1C(F)F ZINC000575389360 388484658 /nfs/dbraw/zinc/48/46/58/388484658.db2.gz BTZAUXZAHCAFQD-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCc1cc(Cl)nc(Cl)c1C#N ZINC000091301651 388613491 /nfs/dbraw/zinc/61/34/91/388613491.db2.gz DFWAILJEAWUIEO-UHFFFAOYSA-N 0 0 201.056 2.822 10 30 BFEERN CCSC[C@@H](C)N(C)c1ccc(C#N)nc1 ZINC000301736899 388615277 /nfs/dbraw/zinc/61/52/77/388615277.db2.gz HVHVPOKUMIQZMW-SNVBAGLBSA-N 0 0 235.356 2.531 10 30 BFEERN C=CCOc1cc(N)c(F)cc1Cl ZINC000075602107 388574939 /nfs/dbraw/zinc/57/49/39/388574939.db2.gz ILSZJTPYPAIAQQ-UHFFFAOYSA-N 0 0 201.628 2.626 10 30 BFEERN CCC1CCC(Nc2ccc(C#N)nn2)CC1 ZINC000301957466 388616862 /nfs/dbraw/zinc/61/68/62/388616862.db2.gz GBZIQYJWZJLDLD-UHFFFAOYSA-N 0 0 230.315 2.729 10 30 BFEERN N#C[C@H](C(=O)c1cccnc1)c1ccc(F)cc1 ZINC000037345522 388642521 /nfs/dbraw/zinc/64/25/21/388642521.db2.gz WWTKUNJFMPCBIG-ZDUSSCGKSA-N 0 0 240.237 2.711 10 30 BFEERN C=C(C)[C@H](O)c1cc(N)cc(Br)c1 ZINC000575454379 388759899 /nfs/dbraw/zinc/75/98/99/388759899.db2.gz JDWJKVYIGZVKOY-JTQLQIEISA-N 0 0 242.116 2.641 10 30 BFEERN Cc1c([N+](=O)[O-])ccc2ncc(C#N)c(Cl)c12 ZINC000095937904 388791698 /nfs/dbraw/zinc/79/16/98/388791698.db2.gz GLHCPQPBTGFLDI-UHFFFAOYSA-N 0 0 247.641 2.977 10 30 BFEERN C/C=C/C(=O)c1cc(Br)ccc1N ZINC000575465384 388836508 /nfs/dbraw/zinc/83/65/08/388836508.db2.gz HUTIPNZIPKIFKU-NSCUHMNNSA-N 0 0 240.100 2.790 10 30 BFEERN Cc1c(F)c(Br)ccc1NCC#N ZINC000575492443 388939323 /nfs/dbraw/zinc/93/93/23/388939323.db2.gz HBUFZWRHIYEDAQ-UHFFFAOYSA-N 0 0 243.079 2.832 10 30 BFEERN N#Cc1ccc(N2CCC[C@@H]3CCCC[C@H]32)nn1 ZINC000301928005 132308364 /nfs/dbraw/zinc/30/83/64/132308364.db2.gz NIOJAPMSSLAXCM-WCQYABFASA-N 0 0 242.326 2.507 10 30 BFEERN O=C1C=CN2c3ccc(Cl)cc3CC[C@H]2C1 ZINC000000022623 132312452 /nfs/dbraw/zinc/31/24/52/132312452.db2.gz MIDWATCAIIMLGJ-NSHDSACASA-N 0 0 233.698 2.948 10 30 BFEERN O=C1C=CN2c3ccc(Cl)cc3CC[C@@H]2C1 ZINC000011689020 132320262 /nfs/dbraw/zinc/32/02/62/132320262.db2.gz MIDWATCAIIMLGJ-LLVKDONJSA-N 0 0 233.698 2.948 10 30 BFEERN C[C@H](CC#N)N1CCCc2ccccc21 ZINC000048208879 132355343 /nfs/dbraw/zinc/35/53/43/132355343.db2.gz IVUFCNMPFPPQHA-LLVKDONJSA-N 0 0 200.285 2.741 10 30 BFEERN N#CCCCCN1C(=O)CCc2ccccc21 ZINC000049579477 132356277 /nfs/dbraw/zinc/35/62/77/132356277.db2.gz QFACBLNCHVVCJG-UHFFFAOYSA-N 0 0 228.295 2.660 10 30 BFEERN N#CCCCCN1CCCc2ccc(N)cc21 ZINC000051296882 132360190 /nfs/dbraw/zinc/36/01/90/132360190.db2.gz ZIBZIBKXSPWBRI-UHFFFAOYSA-N 0 0 229.327 2.715 10 30 BFEERN Cc1ccc(C#N)c(N2CC[C@@H](C)C[C@@H]2C)n1 ZINC000051733981 132361719 /nfs/dbraw/zinc/36/17/19/132361719.db2.gz NMONVARKDRDYCD-PWSUYJOCSA-N 0 0 229.327 2.887 10 30 BFEERN O=C(/C=C/c1ccco1)C(=O)/C=C/c1ccco1 ZINC000039931770 133462755 /nfs/dbraw/zinc/46/27/55/133462755.db2.gz NUOLJIJNXPXAID-KQQUZDAGSA-N 0 0 242.230 2.737 10 30 BFEERN Cc1cc(N2C[C@H](C)[C@H](C)C2)c(C#N)c(C)n1 ZINC000157457833 133486791 /nfs/dbraw/zinc/48/67/91/133486791.db2.gz OCNXQQDBDXIMSI-AOOOYVTPSA-N 0 0 229.327 2.662 10 30 BFEERN C[C@@H]1CCC[C@H](CNC(=O)Cc2cncnc2)C1 ZINC000329525410 133963844 /nfs/dbraw/zinc/96/38/44/133963844.db2.gz QZSRLSUXEHSQKO-NEPJUHHUSA-N 0 0 247.342 2.802 10 30 BFEERN CC[C@@H]1OCCC[C@H]1C(=O)Nc1ncc(C)o1 ZINC000330302200 134001131 /nfs/dbraw/zinc/00/11/31/134001131.db2.gz JKDWJCXTGXDAOI-ZJUUUORDSA-N 0 0 238.287 2.776 10 30 BFEERN Cc1cnc([C@H](C)NCc2ccc(C#N)cc2)o1 ZINC000220909240 134314865 /nfs/dbraw/zinc/31/48/65/134314865.db2.gz CCEOCBWCXBYOOT-NSHDSACASA-N 0 0 241.294 2.706 10 30 BFEERN C[C@@H](C#N)N1CCC[C@@]2(CC=CCC2)C1 ZINC000181884677 134339897 /nfs/dbraw/zinc/33/98/97/134339897.db2.gz HOOKUPLTYMQLSM-STQMWFEESA-N 0 0 204.317 2.721 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)NC1(C#N)CCCCC1 ZINC000230054276 134479951 /nfs/dbraw/zinc/47/99/51/134479951.db2.gz DKBNQKXNOMJGFX-NEPJUHHUSA-N 0 0 234.343 2.765 10 30 BFEERN N#CCCn1ncc2cc(Cl)ccc21 ZINC000045921270 134610988 /nfs/dbraw/zinc/61/09/88/134610988.db2.gz YGUUTCPKNVXYHQ-UHFFFAOYSA-N 0 0 205.648 2.603 10 30 BFEERN CCc1ccc([C@@H]2CCCCN2CC#N)o1 ZINC000124825610 134679466 /nfs/dbraw/zinc/67/94/66/134679466.db2.gz DTUXKRZGWJZFNG-LBPRGKRZSA-N 0 0 218.300 2.893 10 30 BFEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1C ZINC000061888849 134804602 /nfs/dbraw/zinc/80/46/02/134804602.db2.gz WGGSHDVCMYWNIL-UONOGXRCSA-N 0 0 242.322 2.726 10 30 BFEERN C[C@H](C#N)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000248464873 135012266 /nfs/dbraw/zinc/01/22/66/135012266.db2.gz RHCFPBIWQYPYKX-DOMZBBRYSA-N 0 0 243.354 2.802 10 30 BFEERN C=CCCC(=O)N(CCC)CCc1ccccn1 ZINC000102343415 135079356 /nfs/dbraw/zinc/07/93/56/135079356.db2.gz QUUQOLWHOJXMLL-UHFFFAOYSA-N 0 0 246.354 2.829 10 30 BFEERN Cc1ccn([C@@H]2CCC(C)(C)C2)c(=O)c1C#N ZINC000335301155 136019680 /nfs/dbraw/zinc/01/96/80/136019680.db2.gz YAFGHUCQXWNPOM-LLVKDONJSA-N 0 0 230.311 2.780 10 30 BFEERN COc1ccc2c(cccc2OC[C@H]2CO2)c1 ZINC000196144965 397951618 /nfs/dbraw/zinc/95/16/18/397951618.db2.gz CSQLSHSSJOWZJM-GFCCVEGCSA-N 0 0 230.263 2.626 10 30 BFEERN CC=CC(=O)c1ncsc1Br ZINC000575478792 397957484 /nfs/dbraw/zinc/95/74/84/397957484.db2.gz FXVXSRGLGICWCD-UHFFFAOYSA-N 0 0 232.102 2.664 10 30 BFEERN C=C[C@@H]1CC(=O)N1[Si](C)(C)C(C)(C)C ZINC000196874544 397923106 /nfs/dbraw/zinc/92/31/06/397923106.db2.gz SYIIKHCRDAGGQD-SECBINFHSA-N 0 0 211.381 2.779 10 30 BFEERN Cc1c(Br)c(F)ccc1C#N ZINC000259842663 398013247 /nfs/dbraw/zinc/01/32/47/398013247.db2.gz AOZAVZQOWXNMOC-UHFFFAOYSA-N 0 0 214.037 2.768 10 30 BFEERN CC(C)(CO)Sc1nc(Cl)c(C#N)s1 ZINC000306636922 397970541 /nfs/dbraw/zinc/97/05/41/397970541.db2.gz BFDCHOOYMINGCF-UHFFFAOYSA-N 0 0 248.760 2.531 10 30 BFEERN Cc1ccc(NC(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061889409 398107579 /nfs/dbraw/zinc/10/75/79/398107579.db2.gz QHWPQZKTFZTMKP-WCQYABFASA-N 0 0 243.310 2.809 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1cccc(F)c1 ZINC000061889433 398107610 /nfs/dbraw/zinc/10/76/10/398107610.db2.gz LYFUGFFTHPHSOP-JOYOIKCWSA-N 0 0 247.273 2.639 10 30 BFEERN CCOc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061891064 398108177 /nfs/dbraw/zinc/10/81/77/398108177.db2.gz LGXWSWSQIFGJEK-HIFRSBDPSA-N 0 0 244.338 2.867 10 30 BFEERN COC(=O)Cc1cc(C#N)c(C)cc1C(F)F ZINC000575343779 398127877 /nfs/dbraw/zinc/12/78/77/398127877.db2.gz IBTTUBKPIOIGTE-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN CC(C)N[C@H](C#N)c1ccccc1Cl ZINC000020173633 167136803 /nfs/dbraw/zinc/13/68/03/167136803.db2.gz BPMOCXIKOMPNOG-LLVKDONJSA-N 0 0 208.692 2.903 10 30 BFEERN C#CC[C@@H](O)c1ccc(OCC)c(OCC)c1 ZINC000075421085 166204917 /nfs/dbraw/zinc/20/49/17/166204917.db2.gz SHNNRHUMBZTUIP-GFCCVEGCSA-N 0 0 234.295 2.541 10 30 BFEERN C=CCCOc1cc(Br)ccn1 ZINC000072191283 166276662 /nfs/dbraw/zinc/27/66/62/166276662.db2.gz NONZYWKXTFOWED-UHFFFAOYSA-N 0 0 228.089 2.799 10 30 BFEERN C=CCNC(=O)[C@@H](C)Nc1cccc(C(C)C)c1 ZINC000020358536 166384609 /nfs/dbraw/zinc/38/46/09/166384609.db2.gz XZIHFRNCMOMKQC-GFCCVEGCSA-N 0 0 246.354 2.913 10 30 BFEERN C=CCNC(=O)[C@H](CC)Oc1cc(C)cc(C)c1 ZINC000011637299 166390534 /nfs/dbraw/zinc/39/05/34/166390534.db2.gz GRSNTQAKAHGSKH-AWEZNQCLSA-N 0 0 247.338 2.763 10 30 BFEERN CC(C)CCN(C)C(=O)[C@@H](C#N)c1ccccc1 ZINC000061614746 166831993 /nfs/dbraw/zinc/83/19/93/166831993.db2.gz ADOUHTOODXVFOK-AWEZNQCLSA-N 0 0 244.338 2.798 10 30 BFEERN CC(C)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000020174127 167135821 /nfs/dbraw/zinc/13/58/21/167135821.db2.gz APTKAUYLMSOHCY-LLVKDONJSA-N 0 0 208.692 2.903 10 30 BFEERN CC(C)Nc1ccccc1C(=O)NCCCC#N ZINC000062820400 167146179 /nfs/dbraw/zinc/14/61/79/167146179.db2.gz REVVKWBFAAIPFI-UHFFFAOYSA-N 0 0 245.326 2.540 10 30 BFEERN CC(C)Nc1nc2c(cc1C#N)CCCC2 ZINC000044419920 167150662 /nfs/dbraw/zinc/15/06/62/167150662.db2.gz GRWGFLPSZOYUHB-UHFFFAOYSA-N 0 0 215.300 2.652 10 30 BFEERN CC(C)Oc1ncccc1N[C@@H]1CCC[C@H]1C#N ZINC000054826315 167313978 /nfs/dbraw/zinc/31/39/78/167313978.db2.gz PPBQQUYIAUEMNE-NWDGAFQWSA-N 0 0 245.326 2.973 10 30 BFEERN CC(C)Oc1ncccc1NCCCCC#N ZINC000049578511 167314235 /nfs/dbraw/zinc/31/42/35/167314235.db2.gz POGDELCHCXTNBB-UHFFFAOYSA-N 0 0 233.315 2.975 10 30 BFEERN CC(C)Oc1ncccc1N[C@@H]1CCC[C@@H]1C#N ZINC000054826313 167314935 /nfs/dbraw/zinc/31/49/35/167314935.db2.gz PPBQQUYIAUEMNE-VXGBXAGGSA-N 0 0 245.326 2.973 10 30 BFEERN CC(C)Oc1ncccc1N[C@H]1CCC[C@H]1C#N ZINC000054826316 167315592 /nfs/dbraw/zinc/31/55/92/167315592.db2.gz PPBQQUYIAUEMNE-RYUDHWBXSA-N 0 0 245.326 2.973 10 30 BFEERN N#C[C@]1(c2ccc(F)c3ccccc32)C[C@@H]1CO ZINC000584653814 411171129 /nfs/dbraw/zinc/17/11/29/411171129.db2.gz IAXKIBTXEXNFMK-MEBBXXQBSA-N 0 0 241.265 2.752 10 30 BFEERN N#CCNc1cc(Br)c(F)cc1F ZINC000228186310 411182909 /nfs/dbraw/zinc/18/29/09/411182909.db2.gz JKYXQDAXISJUBQ-UHFFFAOYSA-N 0 0 247.042 2.663 10 30 BFEERN CC1=C(C(=O)c2ccccc2)SC2=NCCN12 ZINC000041104959 168079954 /nfs/dbraw/zinc/07/99/54/168079954.db2.gz MRXZRSCVMQQSFJ-UHFFFAOYSA-N 0 0 244.319 2.519 10 30 BFEERN CC1=C2CCCC3(OCCO3)[C@@]2(C)CCC1=O ZINC000005201695 168089814 /nfs/dbraw/zinc/08/98/14/168089814.db2.gz HSBDYEUFOITAQQ-ZDUSSCGKSA-N 0 0 236.311 2.599 10 30 BFEERN Cc1ccc2c(c1Cl)C(=O)C(C)=CC2=O ZINC000015120142 168092520 /nfs/dbraw/zinc/09/25/20/168092520.db2.gz YCCXVFNHLXWDSE-UHFFFAOYSA-N 0 0 220.655 2.974 10 30 BFEERN CCC(C)(C)c1ccc(OCC[C@@H](N)C#N)cc1 ZINC000062446257 168305218 /nfs/dbraw/zinc/30/52/18/168305218.db2.gz FLKGIRWJQFIGKY-CYBMUJFWSA-N 0 0 246.354 2.994 10 30 BFEERN CCN(C[C@@H](C)C#N)C(=O)Nc1cccc(F)c1 ZINC000042449403 169879294 /nfs/dbraw/zinc/87/92/94/169879294.db2.gz UHRVWDIVRZOREB-JTQLQIEISA-N 0 0 249.289 2.839 10 30 BFEERN N#Cc1cccc(-n2nccc2Br)c1 ZINC000137311762 411431922 /nfs/dbraw/zinc/43/19/22/411431922.db2.gz OKIXSVQZDUGYOF-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN CCN(c1ccc(C#N)cc1N)C1CCCC1 ZINC000035765255 169941363 /nfs/dbraw/zinc/94/13/63/169941363.db2.gz CMLYSFPEDCFNFS-UHFFFAOYSA-N 0 0 229.327 2.909 10 30 BFEERN CCN[C@@H](C#N)CN1CCC2(CCCCC2)CC1 ZINC000061821634 170138005 /nfs/dbraw/zinc/13/80/05/170138005.db2.gz XZIYAYYJYJNHKD-AWEZNQCLSA-N 0 0 249.402 2.534 10 30 BFEERN CCN[C@@H](C#N)c1ccc(SC)cc1 ZINC000034958889 170138146 /nfs/dbraw/zinc/13/81/46/170138146.db2.gz XQFPIKDJHUMWRX-NSHDSACASA-N 0 0 206.314 2.583 10 30 BFEERN CCN[C@@H](C#N)c1ccc(C(F)(F)F)cc1 ZINC000020379181 170138159 /nfs/dbraw/zinc/13/81/59/170138159.db2.gz JUEHNTDEVIDMGE-JTQLQIEISA-N 0 0 228.217 2.880 10 30 BFEERN CCOC(=O)[C@@](C)(C#N)Cc1ccccc1C ZINC000057519390 170260438 /nfs/dbraw/zinc/26/04/38/170260438.db2.gz WVISBSRVIBVYBP-CQSZACIVSA-N 0 0 231.295 2.631 10 30 BFEERN CCOC(=O)[C@@]1(CCCc2ccc(C)cc2)CO1 ZINC000040640041 170263552 /nfs/dbraw/zinc/26/35/52/170263552.db2.gz WGHXMOKFQJFZIC-OAHLLOKOSA-N 0 0 248.322 2.650 10 30 BFEERN CCOC(=O)[C@](C)(C#N)Cc1ccc(C)cc1 ZINC000057519404 170282906 /nfs/dbraw/zinc/28/29/06/170282906.db2.gz MATLKHGTAYPXQS-AWEZNQCLSA-N 0 0 231.295 2.631 10 30 BFEERN CC[C@@H](C)N(CCOC)c1ccccc1C#N ZINC000042591877 170731208 /nfs/dbraw/zinc/73/12/08/170731208.db2.gz OZZBTVWISSYORX-GFCCVEGCSA-N 0 0 232.327 2.810 10 30 BFEERN CC[C@@H](C)N[C@H](C#N)c1ccc(OC)c(C)c1 ZINC000050597227 170757275 /nfs/dbraw/zinc/75/72/75/170757275.db2.gz SOUPTSVHOSIRPI-DGCLKSJQSA-N 0 0 232.327 2.956 10 30 BFEERN CC[C@@H](C)[C@@H](C)Nc1ccc(C#N)cc1N ZINC000042552605 170774698 /nfs/dbraw/zinc/77/46/98/170774698.db2.gz YKPQYZAAYHYBLF-NXEZZACHSA-N 0 0 217.316 2.987 10 30 BFEERN CC[C@@H]1CCc2nc(NC)c(C#N)cc2C1 ZINC000050871385 171060472 /nfs/dbraw/zinc/06/04/72/171060472.db2.gz IVYAFKWXOYNUIC-SECBINFHSA-N 0 0 215.300 2.510 10 30 BFEERN CC[C@@H]1C[C@H]1Nc1ccc(C#N)cc1F ZINC000227014437 171142599 /nfs/dbraw/zinc/14/25/99/171142599.db2.gz IKMWZFRHWIHDJF-BXKDBHETSA-N 0 0 204.248 2.908 10 30 BFEERN CC[C@H](C#N)Oc1cc(C)ccc1[N+](=O)[O-] ZINC000043557382 171219502 /nfs/dbraw/zinc/21/95/02/171219502.db2.gz SVGIEAJXFDTUFH-SECBINFHSA-N 0 0 220.228 2.584 10 30 BFEERN CC[C@H](C#N)NCc1cccc(Cl)c1 ZINC000053155974 171219849 /nfs/dbraw/zinc/21/98/49/171219849.db2.gz HRHJKRYPDVNOPL-LLVKDONJSA-N 0 0 208.692 2.732 10 30 BFEERN CC[C@H](C#N)N1CCCc2ccccc2C1 ZINC000062944626 171219871 /nfs/dbraw/zinc/21/98/71/171219871.db2.gz ASFSGAPGYVEONR-CQSZACIVSA-N 0 0 214.312 2.737 10 30 BFEERN CC[C@H](C#N)Sc1ccc(N)cc1C ZINC000043542949 171220367 /nfs/dbraw/zinc/22/03/67/171220367.db2.gz XPEXHRPTRPBXFE-SNVBAGLBSA-N 0 0 206.314 2.972 10 30 BFEERN CC[C@H](C#N)Sc1ccc(N)cc1F ZINC000043542951 171221281 /nfs/dbraw/zinc/22/12/81/171221281.db2.gz BDBSXBPPXCITML-MRVPVSSYSA-N 0 0 210.277 2.802 10 30 BFEERN CC[C@H](C)CN(C)C(=O)[C@H](C#N)c1ccccc1 ZINC000061614407 171270861 /nfs/dbraw/zinc/27/08/61/171270861.db2.gz OIVVLFCBYVIRQO-GXTWGEPZSA-N 0 0 244.338 2.798 10 30 BFEERN CC[C@H](C)C[C@](C#N)(CC)NC[C@@H]1CCCO1 ZINC000037939839 171299130 /nfs/dbraw/zinc/29/91/30/171299130.db2.gz OVOGUXASHJOGHJ-IHRRRGAJSA-N 0 0 238.375 2.864 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1cc(C)c(O)c(C)c1 ZINC000038064427 171345367 /nfs/dbraw/zinc/34/53/67/171345367.db2.gz UVBIKKPPPKESDJ-AAEUAGOBSA-N 0 0 232.327 2.962 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1c(F)cccc1F ZINC000038064247 171345432 /nfs/dbraw/zinc/34/54/32/171345432.db2.gz FDGILULOUNJCIJ-KWQFWETISA-N 0 0 224.254 2.918 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1cc(OC)cc(OC)c1 ZINC000038064419 171345446 /nfs/dbraw/zinc/34/54/46/171345446.db2.gz XUBPAPNKKYCWDD-HZMBPMFUSA-N 0 0 248.326 2.657 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1cccc(F)c1 ZINC000038064211 171347093 /nfs/dbraw/zinc/34/70/93/171347093.db2.gz NDNQBUUJZXILLW-JOYOIKCWSA-N 0 0 206.264 2.778 10 30 BFEERN CC[C@H](C)OCCC(=O)Nc1cccc(C#N)c1 ZINC000048264596 171355061 /nfs/dbraw/zinc/35/50/61/171355061.db2.gz CHKDFMGYBBUMBR-NSHDSACASA-N 0 0 246.310 2.702 10 30 BFEERN CC[C@H](C)SCc1cccc(/C(N)=N/O)c1 ZINC000019870303 171356873 /nfs/dbraw/zinc/35/68/73/171356873.db2.gz IXUUWCMNMTUSOH-VIFPVBQESA-N 0 0 238.356 2.813 10 30 BFEERN CC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000227013315 171680091 /nfs/dbraw/zinc/68/00/91/171680091.db2.gz LBBXVJFNENWEBT-QPUJVOFHSA-N 0 0 231.255 2.677 10 30 BFEERN CN(C)/C=C/C(=O)c1nc2ccccc2s1 ZINC000072416261 172350793 /nfs/dbraw/zinc/35/07/93/172350793.db2.gz NIVRUHHCEZWKNF-BQYQJAHWSA-N 0 0 232.308 2.554 10 30 BFEERN CN(C)/C=C/C(=O)c1cccc(-n2cccc2)c1 ZINC000072416169 172350924 /nfs/dbraw/zinc/35/09/24/172350924.db2.gz FCNPLEXPVSKJLK-DHZHZOJOSA-N 0 0 240.306 2.735 10 30 BFEERN CN(C)/C=C\C(=O)/C=C/C=C\c1ccccc1 ZINC000033374101 172350980 /nfs/dbraw/zinc/35/09/80/172350980.db2.gz UBLXAPPOEZMQTH-HZDGQMRWSA-N 0 0 227.307 2.900 10 30 BFEERN CN(C)/N=C/c1ccc(Cl)cc1Cl ZINC000041212799 172352744 /nfs/dbraw/zinc/35/27/44/172352744.db2.gz RPFLALINXLDYKD-WUXMJOGZSA-N 0 0 217.099 2.889 10 30 BFEERN CN(CCC#N)c1cccc(Cl)c1C=O ZINC000020079117 172666783 /nfs/dbraw/zinc/66/67/83/172666783.db2.gz YCWYENKALOSRTI-UHFFFAOYSA-N 0 0 222.675 2.502 10 30 BFEERN CN[C@H](C#N)CCOc1cccc2ccccc21 ZINC000019667096 173441338 /nfs/dbraw/zinc/44/13/38/173441338.db2.gz PXGUUHKDDHRMPX-ZDUSSCGKSA-N 0 0 240.306 2.720 10 30 BFEERN COCCCOc1c(C#N)cnc2ccccc21 ZINC000037747273 174256701 /nfs/dbraw/zinc/25/67/01/174256701.db2.gz QSQOOXWOWPEMFP-UHFFFAOYSA-N 0 0 242.278 2.522 10 30 BFEERN COCCCOc1ccc(C)cc1/C(C)=N/O ZINC000037753886 174256873 /nfs/dbraw/zinc/25/68/73/174256873.db2.gz JBQAZZLJODKQPG-SDNWHVSQSA-N 0 0 237.299 2.609 10 30 BFEERN COc1cc(F)c2ncc(C#N)c(Cl)c2c1 ZINC000097758407 174992786 /nfs/dbraw/zinc/99/27/86/174992786.db2.gz AXSXKOQPGMRSMN-UHFFFAOYSA-N 0 0 236.633 2.908 10 30 BFEERN COc1cc[nH]c1/C=C1/Nc2ccccc2C1=O ZINC000045817528 175029456 /nfs/dbraw/zinc/02/94/56/175029456.db2.gz YWJFRJHJBQIJQW-XYOKQWHBSA-N 0 0 240.262 2.673 10 30 BFEERN COc1ccc(/C=C(C)/C(C)=N/O)cc1 ZINC000005725130 175046244 /nfs/dbraw/zinc/04/62/44/175046244.db2.gz AHJNMNSNBVWKDQ-PEGOPYGQSA-N 0 0 205.257 2.949 10 30 BFEERN COc1ccc(C#Cc2ccc(C#N)cc2)cc1 ZINC000039320010 175051580 /nfs/dbraw/zinc/05/15/80/175051580.db2.gz JZBSHULPFLMTGB-UHFFFAOYSA-N 0 0 233.270 2.967 10 30 BFEERN COc1ccc(C)cc1[C@@H](C#N)C(=O)C(C)C ZINC000034975659 175078920 /nfs/dbraw/zinc/07/89/20/175078920.db2.gz MSIQBKNJQHWPKA-GFCCVEGCSA-N 0 0 231.295 2.836 10 30 BFEERN COc1ccc(C2=CC(=O)CCC2)cc1OC ZINC000000015218 175084377 /nfs/dbraw/zinc/08/43/77/175084377.db2.gz OMOWCYKSBPOCMQ-UHFFFAOYSA-N 0 0 232.279 2.840 10 30 BFEERN COc1ccc(COc2ccnc(C#N)c2)cc1 ZINC000061815355 175114546 /nfs/dbraw/zinc/11/45/46/175114546.db2.gz NBTCALFVMXNGQN-UHFFFAOYSA-N 0 0 240.262 2.541 10 30 BFEERN COc1ccc(Cl)c(N[C@H](C)C#N)c1 ZINC000043515587 175118752 /nfs/dbraw/zinc/11/87/52/175118752.db2.gz BULXWPHRDJMHKC-SSDOTTSWSA-N 0 0 210.664 2.673 10 30 BFEERN COc1ccc(Cl)cc1[C@H](C#N)C(=O)C1CC1 ZINC000036931326 175123271 /nfs/dbraw/zinc/12/32/71/175123271.db2.gz VCABSYPXCSNTCQ-NSHDSACASA-N 0 0 249.697 2.935 10 30 BFEERN COc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000019433146 175173980 /nfs/dbraw/zinc/17/39/80/175173980.db2.gz HJFQJVNGMRMWPB-UHFFFAOYSA-N 0 0 226.235 2.754 10 30 BFEERN COc1ccc([C@@H](C)NC[C@@H](C)C#N)c(OC)c1 ZINC000054179364 175176990 /nfs/dbraw/zinc/17/69/90/175176990.db2.gz UQMQBVURFNZAJO-WDEREUQCSA-N 0 0 248.326 2.514 10 30 BFEERN COc1ccc2ccccc2c1C#CCCO ZINC000038077833 175226022 /nfs/dbraw/zinc/22/60/22/175226022.db2.gz PZCMJHGXQDCOSI-UHFFFAOYSA-N 0 0 226.275 2.582 10 30 BFEERN COc1cccc(N[C@@H](C#N)c2cccnc2)c1 ZINC000037937797 175279432 /nfs/dbraw/zinc/27/94/32/175279432.db2.gz MCQWOZBKKDIBSH-AWEZNQCLSA-N 0 0 239.278 2.767 10 30 BFEERN COc1cccc([C@]2(CC#N)CCCCC2=O)c1 ZINC000039310493 175297472 /nfs/dbraw/zinc/29/74/72/175297472.db2.gz IIWIVQCTYPEHLK-OAHLLOKOSA-N 0 0 243.306 2.990 10 30 BFEERN COc1ccccc1C[C@](C)(C#N)NCC(C)C ZINC000037939313 175333827 /nfs/dbraw/zinc/33/38/27/175333827.db2.gz QUMOWTKTTMGKPF-OAHLLOKOSA-N 0 0 246.354 2.766 10 30 BFEERN COc1ccccc1N[C@@](C)(C#N)C1CC1 ZINC000037938702 175338707 /nfs/dbraw/zinc/33/87/07/175338707.db2.gz CXKKRRRWWIAGCC-ZDUSSCGKSA-N 0 0 216.284 2.799 10 30 BFEERN COc1ccccc1Nc1ccc(C#N)cn1 ZINC000019424231 175340073 /nfs/dbraw/zinc/34/00/73/175340073.db2.gz QFIWNXZXWPEWQS-UHFFFAOYSA-N 0 0 225.251 2.705 10 30 BFEERN COc1ccccc1[C@@H](C#N)N1CCCCC1 ZINC000019934287 175343564 /nfs/dbraw/zinc/34/35/64/175343564.db2.gz NDAHQYYVVBNVSF-CYBMUJFWSA-N 0 0 230.311 2.746 10 30 BFEERN C[C@@H](C#N)CNc1cc(F)cc(F)c1F ZINC000061095516 175597081 /nfs/dbraw/zinc/59/70/81/175597081.db2.gz AWAOUUXCFOEYET-LURJTMIESA-N 0 0 214.190 2.675 10 30 BFEERN C[C@@H](C#N)CSc1ccc([N+](=O)[O-])cc1 ZINC000035286545 175597119 /nfs/dbraw/zinc/59/71/19/175597119.db2.gz QITVDUQNNVQANK-QMMMGPOBSA-N 0 0 222.269 2.847 10 30 BFEERN C[C@@H](O)c1ccc(N(C)[C@@H](C)CC#N)c(F)c1 ZINC000063087261 175638239 /nfs/dbraw/zinc/63/82/39/175638239.db2.gz FRWOMRIRNUUUSX-VHSXEESVSA-N 0 0 236.290 2.617 10 30 BFEERN C[C@@H](Nc1cc(C#N)ccn1)c1ccco1 ZINC000035207720 175928858 /nfs/dbraw/zinc/92/88/58/175928858.db2.gz ZDADMTXPKKVKBK-SECBINFHSA-N 0 0 213.240 2.719 10 30 BFEERN C[C@@H](O)c1ccc(N(C)[C@H](C)CC#N)c(F)c1 ZINC000063087262 175999000 /nfs/dbraw/zinc/99/90/00/175999000.db2.gz FRWOMRIRNUUUSX-NXEZZACHSA-N 0 0 236.290 2.617 10 30 BFEERN C[C@@H](OC(C)(C)C)C(=O)Nc1ccccc1C#N ZINC000020514537 176002695 /nfs/dbraw/zinc/00/26/95/176002695.db2.gz MSJXCNWBUYHLNO-SNVBAGLBSA-N 0 0 246.310 2.700 10 30 BFEERN C[C@@H]1CC(C)(C)C[C@@](C#N)(NC2CC2)C1 ZINC000036924792 176052158 /nfs/dbraw/zinc/05/21/58/176052158.db2.gz NVBKWTQVJXSEJL-MFKMUULPSA-N 0 0 206.333 2.847 10 30 BFEERN C[C@@H]1CCCC[C@@]1(C#N)NC1CCCC1 ZINC000037968395 176083678 /nfs/dbraw/zinc/08/36/78/176083678.db2.gz MKTCLQGECGJOKX-YPMHNXCESA-N 0 0 206.333 2.991 10 30 BFEERN C[C@@H]1CCCC[C@H]1Oc1ccc(C#N)cn1 ZINC000019804553 176089957 /nfs/dbraw/zinc/08/99/57/176089957.db2.gz VHRVEAVBKSCQFQ-ZYHUDNBSSA-N 0 0 216.284 2.911 10 30 BFEERN C[C@@H]1CCCN(C(=O)[C@@H](C#N)c2ccccc2)C1 ZINC000061613936 176093415 /nfs/dbraw/zinc/09/34/15/176093415.db2.gz LVOWPOGLINRJRQ-OCCSQVGLSA-N 0 0 242.322 2.552 10 30 BFEERN C[C@@H]1CCC[C@@H](Oc2cc(C#N)ccn2)C1 ZINC000020514248 176125329 /nfs/dbraw/zinc/12/53/29/176125329.db2.gz JKDFQZAPJWGKLP-ZYHUDNBSSA-N 0 0 216.284 2.911 10 30 BFEERN C[C@@H]1CCC[C@](CO)(Nc2ccc(C#N)cc2)C1 ZINC000053110503 176152464 /nfs/dbraw/zinc/15/24/64/176152464.db2.gz MTDFVAOEAJXXBE-DOMZBBRYSA-N 0 0 244.338 2.911 10 30 BFEERN C[C@@H]1C[C@@H]1C(=O)N(CCC#N)c1ccccc1 ZINC000019504800 176384433 /nfs/dbraw/zinc/38/44/33/176384433.db2.gz XPRSCMAIQKVCEN-YPMHNXCESA-N 0 0 228.295 2.589 10 30 BFEERN C[C@@H]1C[C@H](S)CCN1C(=O)OC(C)(C)C ZINC000073657039 176429824 /nfs/dbraw/zinc/42/98/24/176429824.db2.gz VMYQICBYCQSTAK-RKDXNWHRSA-N 0 0 231.361 2.704 10 30 BFEERN C[C@H](C#N)CNc1cc(F)c(F)c(F)c1 ZINC000061096131 176554239 /nfs/dbraw/zinc/55/42/39/176554239.db2.gz ARMZJXREMHVNEF-ZCFIWIBFSA-N 0 0 214.190 2.675 10 30 BFEERN C[C@H](C#N)NCc1ccc(C(F)(F)F)cc1 ZINC000061626746 176555205 /nfs/dbraw/zinc/55/52/05/176555205.db2.gz DBBOZBUNLJNMLD-MRVPVSSYSA-N 0 0 228.217 2.707 10 30 BFEERN C[C@H](O)c1ccc(N(CCC#N)C2CC2)c(F)c1 ZINC000042547500 177017563 /nfs/dbraw/zinc/01/75/63/177017563.db2.gz OXANMHHXHVKRJV-JTQLQIEISA-N 0 0 248.301 2.761 10 30 BFEERN C[C@H]1CC(C)(C)Nc2cc(C#N)c(O)cc21 ZINC000072417467 177064202 /nfs/dbraw/zinc/06/42/02/177064202.db2.gz KNEGOMYMWMQDTE-QMMMGPOBSA-N 0 0 216.284 2.962 10 30 BFEERN C[C@H]1CCCC[C@@]1(C#N)NCC(F)(F)F ZINC000037970898 177084374 /nfs/dbraw/zinc/08/43/74/177084374.db2.gz PKLAIZADPJIGDT-IUCAKERBSA-N 0 0 220.238 2.611 10 30 BFEERN C[C@H]1CCC[C@H](C)N1/N=C/c1ccc(O)cc1 ZINC000003296475 177130404 /nfs/dbraw/zinc/13/04/04/177130404.db2.gz OYEOHKHOGJSXGY-ZQVVPALOSA-N 0 0 232.327 2.989 10 30 BFEERN C[C@H]1CCC[C@](CO)(Nc2ccc(C#N)cc2)C1 ZINC000053110506 177143501 /nfs/dbraw/zinc/14/35/01/177143501.db2.gz MTDFVAOEAJXXBE-WFASDCNBSA-N 0 0 244.338 2.911 10 30 BFEERN C[C@H]1CCc2cc(C#N)c(Cl)nc2C1 ZINC000049813637 177209404 /nfs/dbraw/zinc/20/94/04/177209404.db2.gz KERAUNQSFCASHP-ZETCQYMHSA-N 0 0 206.676 2.731 10 30 BFEERN C[C@H]1C[C@@H]1CN(C)c1ccccc1C#N ZINC000104419298 177342953 /nfs/dbraw/zinc/34/29/53/177342953.db2.gz AVPGVZRXTLLETA-CMPLNLGQSA-N 0 0 200.285 2.650 10 30 BFEERN C[C@H]1C[C@@H]1Nc1nc2c(cc1C#N)CCCC2 ZINC000052290825 177350566 /nfs/dbraw/zinc/35/05/66/177350566.db2.gz APXVPGWSHWEXOI-ZANVPECISA-N 0 0 227.311 2.652 10 30 BFEERN Cc1cccc2c1C=C(C[C@@H](N)C#N)CC2 ZINC000238550375 487667170 /nfs/dbraw/zinc/66/71/70/487667170.db2.gz SFCGLPLMIAQLNC-CYBMUJFWSA-N 0 0 212.296 2.566 10 30 BFEERN N#Cc1nccc2c(F)c(Cl)ccc12 ZINC000521400570 268323669 /nfs/dbraw/zinc/32/36/69/268323669.db2.gz BOFRMOIIVFAMEO-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN CC(C)(C)/N=C1/SC[C@@](C)(/C=N/O)S1 ZINC000101669763 324184585 /nfs/dbraw/zinc/18/45/85/324184585.db2.gz VZXPRSDUKJLRAH-SCBJSSNTSA-N 0 0 232.374 2.840 10 30 BFEERN C=C(C)CNC(=O)N1CCC[C@H]1c1ccco1 ZINC000156349592 326228426 /nfs/dbraw/zinc/22/84/26/326228426.db2.gz QLGGACBMXFAMBT-NSHDSACASA-N 0 0 234.299 2.702 10 30 BFEERN CCc1ccc([C@H](C)[NH2+]CC#CCOC)cc1 ZINC000678727814 488278934 /nfs/dbraw/zinc/27/89/34/488278934.db2.gz ZNPSICIILWZAPV-ZDUSSCGKSA-N 0 0 231.339 2.549 10 30 BFEERN N#Cc1cccc([C@]23C[C@H]2CC(=O)CC3)c1 ZINC000141521775 490614377 /nfs/dbraw/zinc/61/43/77/490614377.db2.gz CTWBQTIGZQHKIW-OCCSQVGLSA-N 0 0 211.264 2.569 10 30 BFEERN C[C@@H](CC#N)Nc1ccc2c(ccn2C)c1 ZINC000757126665 582501995 /nfs/dbraw/zinc/50/19/95/582501995.db2.gz GKASSKVMHFALKA-JTQLQIEISA-N 0 0 213.284 2.892 10 30 BFEERN C=C(C)CNc1ccc2c(c1)CCN2C ZINC000757126678 582502202 /nfs/dbraw/zinc/50/22/02/582502202.db2.gz GLLHGAKPGOQUAK-UHFFFAOYSA-N 0 0 202.301 2.667 10 30 BFEERN C=C[C@H](C)N1C(=S)N=NC1C(C)(C)C ZINC000757129998 582505051 /nfs/dbraw/zinc/50/50/51/582505051.db2.gz KNAZHFOBTVSKLV-ZETCQYMHSA-N 0 0 211.334 2.611 10 30 BFEERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1S ZINC000757163931 582545349 /nfs/dbraw/zinc/54/53/49/582545349.db2.gz UWIZLXIADAWCJY-RKDXNWHRSA-N 0 0 231.361 2.610 10 30 BFEERN O=C1Nc2ccc(C(F)(F)F)cc2[C@H]1S ZINC000757163323 582544596 /nfs/dbraw/zinc/54/45/96/582544596.db2.gz OCZDZLIBMRETET-SSDOTTSWSA-N 0 0 233.214 2.628 10 30 BFEERN CC(C)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)S ZINC000757165509 582546435 /nfs/dbraw/zinc/54/64/35/582546435.db2.gz LRMWUJLJGUKYFZ-BDAKNGLRSA-N 0 0 233.377 2.854 10 30 BFEERN C/C(=N\O)c1ccc(Br)cc1F ZINC000253388105 518469105 /nfs/dbraw/zinc/46/91/05/518469105.db2.gz LGKZFSKXZSIBJG-VZUCSPMQSA-N 0 0 232.052 2.786 10 30 BFEERN C=CCCCCCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O ZINC000195388248 534675904 /nfs/dbraw/zinc/67/59/04/534675904.db2.gz GDICOBXYHDOBKH-CHWSQXEVSA-N 0 0 247.338 2.684 10 30 BFEERN Cc1cccc(C=NOCCc2ccccc2)n1 ZINC000254012153 524335422 /nfs/dbraw/zinc/33/54/22/524335422.db2.gz MPPVJGPJOIUGCV-UHFFFAOYSA-N 0 0 240.306 2.983 10 30 BFEERN C#C[C@@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000306657538 527294274 /nfs/dbraw/zinc/29/42/74/527294274.db2.gz MXYAPLCIFKXWOM-MNOVXSKESA-N 0 0 223.316 2.703 10 30 BFEERN C#C[C@H](NC(=O)[C@H]1CCC[C@H]1C)C(C)(C)C ZINC000491307026 527405611 /nfs/dbraw/zinc/40/56/11/527405611.db2.gz OMCPPQFXLLYCLD-WOPDTQHZSA-N 0 0 221.344 2.587 10 30 BFEERN CC[C@H](CC(C)C)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000308086737 529309824 /nfs/dbraw/zinc/30/98/24/529309824.db2.gz JHRKLLSIMQUWAL-UPJWGTAASA-N 0 0 236.359 2.867 10 30 BFEERN CC1(NC(=O)N[C@@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000335155270 535182450 /nfs/dbraw/zinc/18/24/50/535182450.db2.gz MLUCHTASROJSOT-VXGBXAGGSA-N 0 0 249.358 2.701 10 30 BFEERN CCC[C@@H]1CCC[C@@]2(CC1)O[C@@H]2C(=O)OC ZINC000227521342 566466840 /nfs/dbraw/zinc/46/68/40/566466840.db2.gz GJGFYJGMQKUCDJ-WZRBSPASSA-N 0 0 226.316 2.677 10 30 BFEERN C=C1Cc2occ(C)c2C(=O)[C@]2(O)[C@@H](C)CC[C@@H]12 ZINC000056874629 571770238 /nfs/dbraw/zinc/77/02/38/571770238.db2.gz CKDRPCYJCDMPFO-PGUXBMHVSA-N 0 0 246.306 2.660 10 30 endogenous,in-man BFEERN SCc1ccsc1Br ZINC000757160180 582543601 /nfs/dbraw/zinc/54/36/01/582543601.db2.gz LFZAFZORHHQDRT-UHFFFAOYSA-N 0 0 209.133 2.940 10 30 BFEERN O=C1Nc2ccc(C(F)(F)F)cc2[C@@H]1S ZINC000757163329 582544759 /nfs/dbraw/zinc/54/47/59/582544759.db2.gz OCZDZLIBMRETET-ZETCQYMHSA-N 0 0 233.214 2.628 10 30 BFEERN CC(C)(C)OC(=O)N1CC[C@H](S)C(C)(C)C1 ZINC000757164332 582546147 /nfs/dbraw/zinc/54/61/47/582546147.db2.gz ZXKQZTQULUPIBY-VIFPVBQESA-N 0 0 245.388 2.952 10 30 BFEERN CC(C)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)S ZINC000757165511 582546733 /nfs/dbraw/zinc/54/67/33/582546733.db2.gz LRMWUJLJGUKYFZ-DTWKUNHWSA-N 0 0 233.377 2.854 10 30 BFEERN C[C@]1(CSCc2ccc(Cl)o2)CO1 ZINC000757168968 582549978 /nfs/dbraw/zinc/54/99/78/582549978.db2.gz FBDFJKYAJNPZEZ-SECBINFHSA-N 0 0 218.705 2.955 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ocnc1C1CC1 ZINC000329660503 582869596 /nfs/dbraw/zinc/86/95/96/582869596.db2.gz IFLVQWIWNADMNQ-UWVGGRQHSA-N 0 0 245.282 2.549 10 30 BFEERN CCOC(=O)[C@@H]1O[C@]12CCCC[C@H]2C(C)C ZINC000250661871 583963740 /nfs/dbraw/zinc/96/37/40/583963740.db2.gz FXJFMDZNTLZAFA-GVXVVHGQSA-N 0 0 226.316 2.533 10 30 BFEERN COCc1cc([C@H](C)S)ccc1OC ZINC000757161071 586431159 /nfs/dbraw/zinc/43/11/59/586431159.db2.gz WSBAJMGLXJUTGE-QMMMGPOBSA-N 0 0 212.314 2.832 10 30 BFEERN CC1(C)C(c2c[nH]c(N)c2C#N)C1(C)C ZINC000757170905 586433176 /nfs/dbraw/zinc/43/31/76/586433176.db2.gz LZBNFIXNDRFNDF-UHFFFAOYSA-N 0 0 203.289 2.618 10 30 BFEERN CCCCCCCC(=O)N1CC[C@@H](CCO)C1 ZINC000123134088 589665651 /nfs/dbraw/zinc/66/56/51/589665651.db2.gz DMFKZHAYZIDIHK-ZDUSSCGKSA-N 0 0 241.375 2.578 10 30 BFEERN CCCCCCCC(=O)N1[C@@H](C)COC[C@@H]1C ZINC000130545591 591480831 /nfs/dbraw/zinc/48/08/31/591480831.db2.gz WZDCDMIQRANGBT-STQMWFEESA-N 0 0 241.375 2.983 10 30 BFEERN CCCCCCCC(=O)N1[C@H](C)COC[C@@H]1C ZINC000130545361 591481013 /nfs/dbraw/zinc/48/10/13/591481013.db2.gz WZDCDMIQRANGBT-BETUJISGSA-N 0 0 241.375 2.983 10 30 BFEERN Cc1cc(CN[C@@H]2CCC[C@H]2C#N)c(C)o1 ZINC000132451684 591710006 /nfs/dbraw/zinc/71/00/06/591710006.db2.gz FOUQPNSOYALNOM-WCQYABFASA-N 0 0 218.300 2.678 10 30 BFEERN CCn1nc(C)c([C@H](C)NCC(C)(C)C#N)c1C ZINC000122304491 633205623 /nfs/dbraw/zinc/20/56/23/633205623.db2.gz PMCQRDPHIPVDNX-JTQLQIEISA-N 0 0 248.374 2.720 10 30 BFEERN CC(C)(CCC#N)COC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000195039748 634345594 /nfs/dbraw/zinc/34/55/94/634345594.db2.gz FXDPCTUJXYNZIH-NWDGAFQWSA-N 0 0 235.327 2.906 10 30 BFEERN C#CCN(C(=O)N[C@@H](C)C(C)C)C1CCCC1 ZINC000162390041 636642389 /nfs/dbraw/zinc/64/23/89/636642389.db2.gz TXNAIRIGORELEB-LBPRGKRZSA-N 0 0 236.359 2.618 10 30 BFEERN CCCCCCCCOCC(=O)N[C@H]1C[C@H]1C ZINC000163446011 636727495 /nfs/dbraw/zinc/72/74/95/636727495.db2.gz UCVMUWDCNQHTJS-OLZOCXBDSA-N 0 0 241.375 2.888 10 30 BFEERN Cc1ccc(C(=O)/C=C\c2cnn(C)c2C)o1 ZINC000096569011 636973168 /nfs/dbraw/zinc/97/31/68/636973168.db2.gz FRUCPXWMZQVQFW-WAYWQWQTSA-N 0 0 230.267 2.526 10 30 BFEERN COc1ccc(-c2cc(CS)no2)cc1F ZINC000057955364 640651985 /nfs/dbraw/zinc/65/19/85/640651985.db2.gz XQUNVUZZXPVBMQ-UHFFFAOYSA-N 0 0 239.271 2.919 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1NCC(F)(F)C(F)F ZINC000230690774 641088384 /nfs/dbraw/zinc/08/83/84/641088384.db2.gz PFHNGVPMRWHJQJ-YUMQZZPRSA-N 0 0 238.228 2.559 10 30 BFEERN CCCCCC[C@H](C)C(=O)N[C@H](C)C#N ZINC000173282109 641166665 /nfs/dbraw/zinc/16/66/65/641166665.db2.gz DCCVIISXRVNTAG-WDEREUQCSA-N 0 0 210.321 2.621 10 30 BFEERN C#C[C@H](OC(=O)Cc1ccccc1Cl)C1CC1 ZINC000179544455 642724802 /nfs/dbraw/zinc/72/48/02/642724802.db2.gz KZIKULJPLSEYGZ-ZDUSSCGKSA-N 0 0 248.709 2.838 10 30 BFEERN C/C(=C/c1ccccc1Cl)C(=O)N[C@H](C)C#N ZINC000254990071 643214017 /nfs/dbraw/zinc/21/40/17/643214017.db2.gz VQJUWDUTJSGJIZ-UJICNMFASA-N 0 0 248.713 2.772 10 30 BFEERN C[C@@H](OC(=O)CSCC#N)c1cccs1 ZINC000194557645 644329904 /nfs/dbraw/zinc/32/99/04/644329904.db2.gz RXCFVRLYHLPXIE-MRVPVSSYSA-N 0 0 241.337 2.609 10 30 BFEERN Oc1ccccc1/C=N/[C@H]1COc2ccccc21 ZINC000194595287 644332279 /nfs/dbraw/zinc/33/22/79/644332279.db2.gz UPFVRBUVJMNIDB-WFSQQTBHSA-N 0 0 239.274 2.945 10 30 BFEERN C[C@@H]1C[C@@H]1Nc1nc2ccccc2cc1C#N ZINC000083686403 644407236 /nfs/dbraw/zinc/40/72/36/644407236.db2.gz PCBGFZIBWQLRGA-RNCFNFMXSA-N 0 0 223.279 2.927 10 30 BFEERN CC(C)(C)c1coc(CN[C@@H]2CCC[C@H]2C#N)n1 ZINC000724420830 710741025 /nfs/dbraw/zinc/74/10/25/710741025.db2.gz WETHBATYWIPOBT-WDEREUQCSA-N 0 0 247.342 2.754 10 30 BFEERN C/C(=C\C(=O)N[C@H](C)C#N)c1ccccc1Cl ZINC000171399674 711838940 /nfs/dbraw/zinc/83/89/40/711838940.db2.gz LTXVKULXZLPIBM-TTZKWOQHSA-N 0 0 248.713 2.772 10 30 BFEERN C#Cc1cccc(N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000700986375 712011207 /nfs/dbraw/zinc/01/12/07/712011207.db2.gz CMRDUVMAMWOUHK-HUUCEWRRSA-N 0 0 227.307 2.647 10 30 BFEERN C=C[C@@H](CC)OC(=O)/C=C\c1cccnc1 ZINC000588386010 958128401 /nfs/dbraw/zinc/12/84/01/958128401.db2.gz XRKXWEKIZKTSSF-KRZKBDHCSA-N 0 0 217.268 2.603 10 30 BFEERN C=C[C@H](C)OC(=O)/C=C\c1scnc1C ZINC000588539851 959020999 /nfs/dbraw/zinc/02/09/99/959020999.db2.gz WHVGJTUYKLYLRH-SLGIHZDVSA-N 0 0 223.297 2.582 10 30 BFEERN CC[C@H](CC#N)OC(=O)/C=C\C(C)(C)C ZINC000588558031 959170171 /nfs/dbraw/zinc/17/01/71/959170171.db2.gz SCOSYHCHVXPLDH-BJPMOSCESA-N 0 0 209.289 2.824 10 30 BFEERN C#CC[C@H](OC(=O)/C(=C/C)CC)C1CC1 ZINC000588569960 959251707 /nfs/dbraw/zinc/25/17/07/959251707.db2.gz NJZQSKGHOFAYGU-DJTWPOEFSA-N 0 0 206.285 2.688 10 30 BFEERN C#CC[C@@H](OC(=O)/C(=C/C)CC)C(C)C ZINC000588570045 959257661 /nfs/dbraw/zinc/25/76/61/959257661.db2.gz ILRZPGRPTXUGMS-YTRUQHMWSA-N 0 0 208.301 2.934 10 30 BFEERN C=CCCCCC[N@H+]1CC[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000822088954 969200426 /nfs/dbraw/zinc/20/04/26/969200426.db2.gz XDUAXXJSXBPHBC-CHWSQXEVSA-N 0 0 239.359 2.775 10 30 BFEERN C=CC[N@H+](Cc1cc(C(=O)[O-])cs1)C(C)C ZINC000711378821 977538836 /nfs/dbraw/zinc/53/88/36/977538836.db2.gz QHLVGXBJBRATGX-UHFFFAOYSA-N 0 0 239.340 2.843 10 30 BFEERN C#CCCCCC[N@@H+]1CC[C@@]2(C(=O)[O-])CCC[C@@H]12 ZINC000711613995 977556696 /nfs/dbraw/zinc/55/66/96/977556696.db2.gz HYSLMSTWFAPBES-HIFRSBDPSA-N 0 0 249.354 2.509 10 30 BFEERN CC(C)(C)OC(=O)C#CC1CCCCC1 ZINC000685953449 538897952 /nfs/dbraw/zinc/89/79/52/538897952.db2.gz MNBKXEFMGNCIIX-UHFFFAOYSA-N 0 0 208.301 2.912 10 30 BFEERN CC(C)(C)OC(=O)C#C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000685954025 538898479 /nfs/dbraw/zinc/89/84/79/538898479.db2.gz RKHDUYOXXGAUGU-SRVKXCTJSA-N 0 0 220.312 2.768 10 30 BFEERN C/C=C/C(=O)CN(C(=O)OC(C)(C)C)C1CC1 ZINC000685959238 538906654 /nfs/dbraw/zinc/90/66/54/538906654.db2.gz PCSPVSKTEQZBTR-AATRIKPKSA-N 0 0 239.315 2.531 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H](CC#N)c1ccco1 ZINC000258722605 349514182 /nfs/dbraw/zinc/51/41/82/349514182.db2.gz ZSWBJYJYENLWMU-VIFPVBQESA-N 0 0 236.271 2.759 10 30 BFEERN C[C@@H](C#N)N1CC=C(c2cccs2)CC1 ZINC000181894551 136218572 /nfs/dbraw/zinc/21/85/72/136218572.db2.gz DYWPIVWLTDJVTB-JTQLQIEISA-N 0 0 218.325 2.749 10 30 BFEERN Cc1cc(N(C)CCC2CC2)c(C#N)c(C)n1 ZINC000120267491 178098402 /nfs/dbraw/zinc/09/84/02/178098402.db2.gz ZVUHSBPYRHQGNI-UHFFFAOYSA-N 0 0 229.327 2.806 10 30 BFEERN Cc1cc(N2CC[C@@H](C)[C@H]2C)c(C#N)c(C)n1 ZINC000301790408 178117276 /nfs/dbraw/zinc/11/72/76/178117276.db2.gz QKIJCDNDFDFFPV-BXKDBHETSA-N 0 0 229.327 2.805 10 30 BFEERN N#C[C@H](NC(=O)[C@@H]1C[C@@H]1C1CCCCC1)C1CC1 ZINC000119731611 136220848 /nfs/dbraw/zinc/22/08/48/136220848.db2.gz VDVLFUUPKSJKSD-MCIONIFRSA-N 0 0 246.354 2.621 10 30 BFEERN N#Cc1c(N)c(F)cc(Cl)c1Cl ZINC000300765256 398213197 /nfs/dbraw/zinc/21/31/97/398213197.db2.gz OKBSLOQHJDRQJH-UHFFFAOYSA-N 0 0 205.019 2.586 10 30 BFEERN Cc1cc(NC[C@]2(C)CCCO2)c(C#N)c(C)n1 ZINC000127355847 178170037 /nfs/dbraw/zinc/17/00/37/178170037.db2.gz DBCUJGCLIVINND-AWEZNQCLSA-N 0 0 245.326 2.551 10 30 BFEERN Cc1cc(Nc2ccc(C#N)cc2)ncc1N ZINC000082539881 178191832 /nfs/dbraw/zinc/19/18/32/178191832.db2.gz AOEHYOHSMUBTFU-UHFFFAOYSA-N 0 0 224.267 2.588 10 30 BFEERN COc1ccc(C[C@](C)(Cl)C#N)cc1 ZINC000070820418 361771960 /nfs/dbraw/zinc/77/19/60/361771960.db2.gz BOQTVOGMGXTRNZ-NSHDSACASA-N 0 0 209.676 2.759 10 30 BFEERN CCCCCC#CI ZINC000066381581 343992814 /nfs/dbraw/zinc/99/28/14/343992814.db2.gz XKDOBNOMGNPNHO-UHFFFAOYSA-N 0 0 222.069 2.963 10 30 BFEERN Cc1cc(C#N)cc([C@@H](C)c2ncc[nH]2)c1 ZINC000114431503 398243421 /nfs/dbraw/zinc/24/34/21/398243421.db2.gz CZVBCCUVKNOOMP-SNVBAGLBSA-N 0 0 211.268 2.742 10 30 BFEERN Cc1cc[nH]c1/C=C1/Nc2ccccc2C1=O ZINC000045817533 178309348 /nfs/dbraw/zinc/30/93/48/178309348.db2.gz FMDKKQLKKRWNDO-MDWZMJQESA-N 0 0 224.263 2.972 10 30 BFEERN C#Cc1ccccc1O[C@@H]1CCCCO1 ZINC000063772355 398253258 /nfs/dbraw/zinc/25/32/58/398253258.db2.gz CRBFDLCMFUQUEE-CYBMUJFWSA-N 0 0 202.253 2.573 10 30 BFEERN Cc1ccc(-c2cc(N)c(C#N)s2)o1 ZINC000044273442 178322070 /nfs/dbraw/zinc/32/20/70/178322070.db2.gz KTXFIRSPGTZTNX-UHFFFAOYSA-N 0 0 204.254 2.770 10 30 BFEERN COC(=O)[C@@H]1OC12CC(C)(C)CC(C)(C)C2 ZINC000168317003 538944805 /nfs/dbraw/zinc/94/48/05/538944805.db2.gz WRKIAEWIMNDCOY-VIFPVBQESA-N 0 0 226.316 2.533 10 30 BFEERN Cc1ccc(/C=C2/Nc3ccccc3C2=O)[nH]1 ZINC000045817536 178355758 /nfs/dbraw/zinc/35/57/58/178355758.db2.gz LUPXNZIBGAPIKS-MDWZMJQESA-N 0 0 224.263 2.972 10 30 BFEERN Cc1ccc(C#N)c(N(C)[C@@H](C)C(C)C)n1 ZINC000043399279 178363535 /nfs/dbraw/zinc/36/35/35/178363535.db2.gz GBWCSBGZPFVHKS-NSHDSACASA-N 0 0 217.316 2.742 10 30 BFEERN Cc1ccc(C#N)c(NCCc2ccncc2)c1 ZINC000051579173 178363904 /nfs/dbraw/zinc/36/39/04/178363904.db2.gz HAEAOKDOWUIBKY-UHFFFAOYSA-N 0 0 237.306 2.916 10 30 BFEERN Cc1ccc(C#N)c(N[C@H](C)[C@@H]2CCCO2)c1 ZINC000051578997 178365732 /nfs/dbraw/zinc/36/57/32/178365732.db2.gz IMNDEXFLUIJITR-RISCZKNCSA-N 0 0 230.311 2.846 10 30 BFEERN Cc1ccc(C#N)c(N[C@@H](C)[C@H]2CCCO2)c1 ZINC000051578998 178366122 /nfs/dbraw/zinc/36/61/22/178366122.db2.gz IMNDEXFLUIJITR-SMDDNHRTSA-N 0 0 230.311 2.846 10 30 BFEERN Cc1ccc(C(=O)N(CCC#N)C2CC2)c(C)c1 ZINC000042359332 178382302 /nfs/dbraw/zinc/38/23/02/178382302.db2.gz LSWIVDBCRFYUMK-UHFFFAOYSA-N 0 0 242.322 2.822 10 30 BFEERN COC(=O)[C@]1(C)O[C@@]12CCC[C@@H](C(C)C)C2 ZINC000231019583 538951839 /nfs/dbraw/zinc/95/18/39/538951839.db2.gz KFVIVVGRVNRAFI-KGYLQXTDSA-N 0 0 226.316 2.533 10 30 BFEERN CC1(C)CCc2ccccc2[C@H]1NCC#N ZINC000183135013 346834212 /nfs/dbraw/zinc/83/42/12/346834212.db2.gz UOIHYGDFHHCDDN-CYBMUJFWSA-N 0 0 214.312 2.813 10 30 BFEERN CN(Cc1ccccc1)C1(C#N)CCCC1 ZINC000143867998 342681797 /nfs/dbraw/zinc/68/17/97/342681797.db2.gz GJWZXJURKOVJCC-UHFFFAOYSA-N 0 0 214.312 2.955 10 30 BFEERN C[C@H](CO)Nc1ccc2c(C#N)cccc2c1 ZINC000143959329 342691246 /nfs/dbraw/zinc/69/12/46/342691246.db2.gz LPJPNRTZILMLHX-SNVBAGLBSA-N 0 0 226.279 2.504 10 30 BFEERN C#Cc1cc(O)c2c(c1)C(C)(C)CCC2=O ZINC000144028507 342694810 /nfs/dbraw/zinc/69/48/10/342694810.db2.gz RKCWVAWAWDWBRN-UHFFFAOYSA-N 0 0 214.264 2.628 10 30 BFEERN C=CC(=O)c1ncccc1NC(=O)OC(C)(C)C ZINC000405972284 538962133 /nfs/dbraw/zinc/96/21/33/538962133.db2.gz JFSFRLOZQMAMNQ-UHFFFAOYSA-N 0 0 248.282 2.797 10 30 BFEERN C[C@@H]1CC[C@]2(CCC[C@@H](C=O)O2)[C@@H](C)C1 ZINC000306659957 361868634 /nfs/dbraw/zinc/86/86/34/361868634.db2.gz MDQVFHCULZMKBR-MROQNXINSA-N 0 0 210.317 2.949 10 30 BFEERN CCC[C@H](C#N)NC(=O)OCc1ccccc1 ZINC000005310995 342761973 /nfs/dbraw/zinc/76/19/73/342761973.db2.gz PDNOWXMNNWXTGT-GFCCVEGCSA-N 0 0 232.283 2.605 10 30 BFEERN C=CCNc1ncc(Cl)cc1Cl ZINC000054614000 342767797 /nfs/dbraw/zinc/76/77/97/342767797.db2.gz KIBQDDJFWUOZAR-UHFFFAOYSA-N 0 0 203.072 2.986 10 30 BFEERN N#Cc1ccc(F)cc1N1CCCCCC1=O ZINC000146355602 342768870 /nfs/dbraw/zinc/76/88/70/342768870.db2.gz YICJHZBMXFLKSW-UHFFFAOYSA-N 0 0 232.258 2.604 10 30 BFEERN C#CCCCCOc1ccc(C=O)cc1OC ZINC000147261907 342774180 /nfs/dbraw/zinc/77/41/80/342774180.db2.gz KDSWOVRJRCPAOM-UHFFFAOYSA-N 0 0 232.279 2.690 10 30 BFEERN COc1ccc(/C=N/[S@](=O)C(C)(C)C)cc1 ZINC000035803820 342783391 /nfs/dbraw/zinc/78/33/91/342783391.db2.gz XSQGGBNJYQMUOA-WQMJKPAKSA-N 0 0 239.340 2.576 10 30 BFEERN COc1ccc(/C=N/[S@@](=O)C(C)(C)C)cc1 ZINC000035803821 342783435 /nfs/dbraw/zinc/78/34/35/342783435.db2.gz XSQGGBNJYQMUOA-LRFDDAOPSA-N 0 0 239.340 2.576 10 30 BFEERN N#Cc1ccc(Oc2ccncc2)cc1C#N ZINC000148971702 342792795 /nfs/dbraw/zinc/79/27/95/342792795.db2.gz DQXFLOUMWDEYNV-UHFFFAOYSA-N 0 0 221.219 2.617 10 30 BFEERN C#Cc1cccc(C(C)(C)C(=O)OCC)c1 ZINC000149731385 342793853 /nfs/dbraw/zinc/79/38/53/342793853.db2.gz VNXKXZPRQQVQGK-UHFFFAOYSA-N 0 0 216.280 2.509 10 30 BFEERN C[C@@H](C#N)C(=O)C1CCC(F)(F)CC1 ZINC000127077344 342836166 /nfs/dbraw/zinc/83/61/66/342836166.db2.gz HRHKCHZJFOMXOQ-ZETCQYMHSA-N 0 0 201.216 2.541 10 30 BFEERN CC[C@H](C#N)C(=O)C1CCC(F)(F)CC1 ZINC000127078944 342836800 /nfs/dbraw/zinc/83/68/00/342836800.db2.gz GGBIHHIJKBAGOM-MRVPVSSYSA-N 0 0 215.243 2.931 10 30 BFEERN O=CCCSc1nccc2ccccc21 ZINC000401593941 342840170 /nfs/dbraw/zinc/84/01/70/342840170.db2.gz YQANPLVQWCYASH-UHFFFAOYSA-N 0 0 217.293 2.916 10 30 BFEERN C=C(C(C)=O)[C@H](O)c1ccc(C(F)(F)F)cc1 ZINC000008689829 342840640 /nfs/dbraw/zinc/84/06/40/342840640.db2.gz HJELZDZKWDSNEE-NSHDSACASA-N 0 0 244.212 2.884 10 30 BFEERN C#CC(C)(C)Oc1cc(C=O)ccc1C ZINC000164887509 342854724 /nfs/dbraw/zinc/85/47/24/342854724.db2.gz SELMEEDCLZEECT-UHFFFAOYSA-N 0 0 202.253 2.598 10 30 BFEERN C/C=C\C(=O)c1cc(F)c(F)c(OC)c1 ZINC000308816119 342873378 /nfs/dbraw/zinc/87/33/78/342873378.db2.gz VOICOMIAALGNQD-ARJAWSKDSA-N 0 0 212.195 2.732 10 30 BFEERN Cc1c(Cl)cccc1C(=O)[C@@H](C)C#N ZINC000219702294 342893587 /nfs/dbraw/zinc/89/35/87/342893587.db2.gz UJKNZYMAGQRTMK-ZETCQYMHSA-N 0 0 207.660 2.991 10 30 BFEERN Cc1cc(CC#N)c(OC(F)F)cc1[N+](=O)[O-] ZINC000218124231 398325648 /nfs/dbraw/zinc/32/56/48/398325648.db2.gz PSUVAWJRGUMOTQ-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN C=C(C)CNc1ccc([C@@H](C)C(=O)OC)cc1 ZINC000033506498 187208519 /nfs/dbraw/zinc/20/85/19/187208519.db2.gz ZYZOATXKGVZVGM-LLVKDONJSA-N 0 0 233.311 2.951 10 30 BFEERN O=CCc1ccc(NC(=O)c2ccccc2)cc1 ZINC000214417634 349710968 /nfs/dbraw/zinc/71/09/68/349710968.db2.gz GRMLWTPJEWPLRQ-UHFFFAOYSA-N 0 0 239.274 2.680 10 30 BFEERN C=CC[C@H](C)Oc1ccc(C(=O)OC)cc1 ZINC000118475006 343046141 /nfs/dbraw/zinc/04/61/41/343046141.db2.gz NZGWOLDERBAQIW-JTQLQIEISA-N 0 0 220.268 2.817 10 30 BFEERN CCC(F)(F)CN[C@@H]1CCCC[C@H]1C#N ZINC000602882845 349791597 /nfs/dbraw/zinc/79/15/97/349791597.db2.gz FTQNJHSXPAJNDI-VHSXEESVSA-N 0 0 216.275 2.704 10 30 BFEERN O=CCSCc1ccccc1Cl ZINC000236039990 343068360 /nfs/dbraw/zinc/06/83/60/343068360.db2.gz ARUFDQYJYJOXDY-UHFFFAOYSA-N 0 0 200.690 2.772 10 30 BFEERN N#Cc1cc(C(=O)C(F)(F)Cl)ccc1F ZINC000308838949 346925369 /nfs/dbraw/zinc/92/53/69/346925369.db2.gz XSYOFBXHIVYUTM-UHFFFAOYSA-N 0 0 233.576 2.712 10 30 BFEERN O=C1CCCC(=O)C1Cc1ccccc1[N+](=O)[O-] ZINC000013473752 343089413 /nfs/dbraw/zinc/08/94/13/343089413.db2.gz UWSJWNJASAZPSV-UHFFFAOYSA-N 0 0 247.250 2.702 10 30 BFEERN CC[C@@H](Nc1ccc(C#N)cn1)C(C)C ZINC000042591113 362011964 /nfs/dbraw/zinc/01/19/64/362011964.db2.gz XHGKGAYCIMBYOI-LLVKDONJSA-N 0 0 203.289 2.800 10 30 BFEERN O=C1c2ccc(O)cc2C/C1=C\c1ccncc1 ZINC000013736278 343102815 /nfs/dbraw/zinc/10/28/15/343102815.db2.gz BNEKOIAODQYJNM-KPKJPENVSA-N 0 0 237.258 2.610 10 30 BFEERN COc1ccc(/C=C2/CCCC2=O)cc1OC ZINC000116433857 343120932 /nfs/dbraw/zinc/12/09/32/343120932.db2.gz WTMNGZHQLCKKGP-FLIBITNWSA-N 0 0 232.279 2.840 10 30 BFEERN C[Si](C)(C)C#C/C(=C/CO)[Si](C)(C)C ZINC000205241508 343122241 /nfs/dbraw/zinc/12/22/41/343122241.db2.gz WSNFUYUSXUFWNG-XFFZJAGNSA-N 0 0 226.468 2.663 10 30 BFEERN CC1CCC(NC(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000360081213 136268463 /nfs/dbraw/zinc/26/84/63/136268463.db2.gz DGPJXHLCRGBAMB-KPFVRQRISA-N 0 0 249.358 2.557 10 30 BFEERN C[C@@H](C#N)Nc1cc(Br)ccc1F ZINC000043514921 343116499 /nfs/dbraw/zinc/11/64/99/343116499.db2.gz OWOUNKADNLZRTI-LURJTMIESA-N 0 0 243.079 2.912 10 30 BFEERN O=CCOc1ccccc1Cc1ccccc1 ZINC000050161467 343135573 /nfs/dbraw/zinc/13/55/73/343135573.db2.gz QDZKYNZYJDCGKF-UHFFFAOYSA-N 0 0 226.275 2.855 10 30 BFEERN C=C(C)[C@@H]1CC=C2[C@H](O)C[C@H](O)[C@H](C)[C@@]2(C)C1 ZINC000005722598 290668544 /nfs/dbraw/zinc/66/85/44/290668544.db2.gz BXXSHQYDJWZXPB-WPTOEGHWSA-N 0 0 236.355 2.667 10 30 BFEERN C[C@H](CC#N)N(C)c1cc(Cl)nnc1Cl ZINC000127130520 343236078 /nfs/dbraw/zinc/23/60/78/343236078.db2.gz LMJDIDBUQVXDHA-ZCFIWIBFSA-N 0 0 245.113 2.522 10 30 BFEERN C/C(=N\O)c1ccccc1NC(=O)CC(C)C ZINC000019486134 187252361 /nfs/dbraw/zinc/25/23/61/187252361.db2.gz HARWLXBKXHMHSG-XNTDXEJSSA-N 0 0 234.299 2.869 10 30 BFEERN N#C[C@@H](NC1CCCC1)c1ccccc1F ZINC000019988446 187253211 /nfs/dbraw/zinc/25/32/11/187253211.db2.gz SGWQEJRWJWEAOY-CYBMUJFWSA-N 0 0 218.275 2.923 10 30 BFEERN N#CCc1cc(F)cc(F)c1Br ZINC000216823797 343376798 /nfs/dbraw/zinc/37/67/98/343376798.db2.gz NCWPQKLRWHWLCR-UHFFFAOYSA-N 0 0 232.027 2.793 10 30 BFEERN C=CCc1c(O)c(C)cc2ccc(=O)oc21 ZINC000039477200 187255645 /nfs/dbraw/zinc/25/56/45/187255645.db2.gz KZTJBCZPJVHFAK-UHFFFAOYSA-N 0 0 216.236 2.536 10 30 BFEERN Cc1ccc(CN=Nc2ccccc2[N+](=O)[O-])o1 ZINC000033391532 187256624 /nfs/dbraw/zinc/25/66/24/187256624.db2.gz HIUCDCUKBMXZJY-JYRVWZFOSA-N 0 0 245.238 2.942 10 30 BFEERN C[C@]1(COc2ccc(OC(F)(F)F)cc2)CO1 ZINC000134987620 343352477 /nfs/dbraw/zinc/35/24/77/343352477.db2.gz SAZYUJGGNIVTGF-JTQLQIEISA-N 0 0 248.200 2.753 10 30 BFEERN COc1ccccc1[C@@H](C#N)C(=O)CC(C)C ZINC000036931162 187258917 /nfs/dbraw/zinc/25/89/17/187258917.db2.gz BOAVQVVJJYLSBU-GFCCVEGCSA-N 0 0 231.295 2.918 10 30 BFEERN COc1ccc([C@H](C#N)C(=O)C(C)C)cc1OC ZINC000036931127 187259266 /nfs/dbraw/zinc/25/92/66/187259266.db2.gz MJJYLHSFEQQYLO-NSHDSACASA-N 0 0 247.294 2.536 10 30 BFEERN C=C(Cl)CNc1cc(F)cc(OC)c1 ZINC000300897595 343394931 /nfs/dbraw/zinc/39/49/31/343394931.db2.gz IWRZQRNJCITYDN-UHFFFAOYSA-N 0 0 215.655 2.999 10 30 BFEERN COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]32)ccc1C#N ZINC000335737088 136350497 /nfs/dbraw/zinc/35/04/97/136350497.db2.gz RCXCMPQXBRRODU-UONOGXRCSA-N 0 0 242.322 2.551 10 30 BFEERN Cc1cc2c(ccnc2NC[C@@H](C)C#N)o1 ZINC000166932010 136367270 /nfs/dbraw/zinc/36/72/70/136367270.db2.gz LFYQIHGRHQPXIT-QMMMGPOBSA-N 0 0 215.256 2.708 10 30 BFEERN C#CCCCCC(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000362026005 136372053 /nfs/dbraw/zinc/37/20/53/136372053.db2.gz UXXLHOWJPUDSNV-ZIAGYGMSSA-N 0 0 233.355 2.971 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1F ZINC000054829051 136372939 /nfs/dbraw/zinc/37/29/39/136372939.db2.gz YLWYBYZUJMHLGA-ZANVPECISA-N 0 0 236.265 2.747 10 30 BFEERN N#Cc1cncc(Sc2cccc(CO)c2)c1 ZINC000149992892 343464440 /nfs/dbraw/zinc/46/44/40/343464440.db2.gz YXZHCAVQRXMMKD-UHFFFAOYSA-N 0 0 242.303 2.597 10 30 BFEERN CCOc1nc2ccc(C#N)cc2s1 ZINC000045237341 343526660 /nfs/dbraw/zinc/52/66/60/343526660.db2.gz IFERRXUNUFHWLT-UHFFFAOYSA-N 0 0 204.254 2.567 10 30 BFEERN CCOc1nc(C)c(C#N)c2ccccc21 ZINC000045805899 343534264 /nfs/dbraw/zinc/53/42/64/343534264.db2.gz LSXGUJQRTMYMFG-UHFFFAOYSA-N 0 0 212.252 2.814 10 30 BFEERN CC(C)(C)C(=O)COc1ccc(CC#N)cc1 ZINC000047820893 343566329 /nfs/dbraw/zinc/56/63/29/343566329.db2.gz HKGPEKUOYXPMQC-UHFFFAOYSA-N 0 0 231.295 2.747 10 30 BFEERN N#CCC[C@H](O)c1ccc(Br)s1 ZINC000041296837 187264834 /nfs/dbraw/zinc/26/48/34/187264834.db2.gz WJEJBYKBOMLFGI-LURJTMIESA-N 0 0 246.129 2.848 10 30 BFEERN N#Cc1ccc(C(=O)C(F)(F)C(F)F)cc1 ZINC000309516250 343662291 /nfs/dbraw/zinc/66/22/91/343662291.db2.gz UYRSKHBPGYRFID-UHFFFAOYSA-N 0 0 231.148 2.641 10 30 BFEERN CC(C)N(C)C(=O)C1(C#N)CCCCCC1 ZINC000044764912 187268329 /nfs/dbraw/zinc/26/83/29/187268329.db2.gz DOEFFDSEWHBSGH-UHFFFAOYSA-N 0 0 222.332 2.717 10 30 BFEERN N#Cc1cc(NC[C@@H]2CCCCO2)ccc1F ZINC000051636388 187270998 /nfs/dbraw/zinc/27/09/98/187270998.db2.gz MOXVOXOVTZBEOI-LBPRGKRZSA-N 0 0 234.274 2.678 10 30 BFEERN C/C=C1/C[C@@H](c2ccncc2)CCC1=O ZINC000214943683 349838228 /nfs/dbraw/zinc/83/82/28/349838228.db2.gz VGKJXKFOOYIGOL-RYWPHHQMSA-N 0 0 201.269 2.865 10 30 BFEERN CSc1ccc(C(=O)/C=C/N(C)C)cc1 ZINC000082546008 537805512 /nfs/dbraw/zinc/80/55/12/537805512.db2.gz ZKGDLNVEUWPSDB-CMDGGOBGSA-N 0 0 221.325 2.667 10 30 BFEERN COc1ccc(-c2c[nH]c(N)c2C#N)cc1Cl ZINC000082553825 537806329 /nfs/dbraw/zinc/80/63/29/537806329.db2.gz IKJOLBSLQLBGEU-UHFFFAOYSA-N 0 0 247.685 2.798 10 30 BFEERN C#Cc1ccc(C(OCC)OCC)cc1 ZINC000142565054 343788924 /nfs/dbraw/zinc/78/89/24/343788924.db2.gz XGLBDRWPMCYXFE-UHFFFAOYSA-N 0 0 204.269 2.740 10 30 BFEERN C#CCn1nc(-c2ccsc2)cc1C ZINC000409439899 343853352 /nfs/dbraw/zinc/85/33/52/343853352.db2.gz KNMQAFBQZFGTOV-UHFFFAOYSA-N 0 0 202.282 2.553 10 30 BFEERN CCn1nc(-c2ccsc2)cc1CC#N ZINC000409443388 343867147 /nfs/dbraw/zinc/86/71/47/343867147.db2.gz MBHXWOFVDXOPRS-UHFFFAOYSA-N 0 0 217.297 2.698 10 30 BFEERN CC(C)(C)OC(=O)n1ncc2cc(C#N)ccc21 ZINC000087493362 187286098 /nfs/dbraw/zinc/28/60/98/187286098.db2.gz SCQKSJFTCVHSSS-UHFFFAOYSA-N 0 0 243.266 2.691 10 30 BFEERN N#Cc1ccc(-c2nc(C(F)(F)F)c[nH]2)cc1 ZINC000205408433 344202004 /nfs/dbraw/zinc/20/20/04/344202004.db2.gz XKYKGKIPBXUMIK-UHFFFAOYSA-N 0 0 237.184 2.967 10 30 BFEERN Cc1ccc(C[C@@H]2COCC[C@H]2S)cc1 ZINC000095089996 178650592 /nfs/dbraw/zinc/65/05/92/178650592.db2.gz PMYNMMOZKGBCHA-CHWSQXEVSA-N 0 0 222.353 2.872 10 30 BFEERN C=C(C)C(=O)c1ccc(Br)cc1N ZINC000135425951 344271618 /nfs/dbraw/zinc/27/16/18/344271618.db2.gz LDWGYYBILDPENJ-UHFFFAOYSA-N 0 0 240.100 2.790 10 30 BFEERN C#CC(=O)c1cc(Cl)cc(Br)c1 ZINC000236032004 344283205 /nfs/dbraw/zinc/28/32/05/344283205.db2.gz HFDCZOKIBPTNHT-UHFFFAOYSA-N 0 0 243.487 2.918 10 30 BFEERN C#CC(=O)c1ccc(Cl)cc1Br ZINC000236042223 344287835 /nfs/dbraw/zinc/28/78/35/344287835.db2.gz AXTMCTHFWSIXIY-UHFFFAOYSA-N 0 0 243.487 2.918 10 30 BFEERN Cc1c(C)n(Cc2ccc(C)cc2)c(N)c1C#N ZINC000036938872 178666063 /nfs/dbraw/zinc/66/60/63/178666063.db2.gz LXAYQXOZKJCCRR-UHFFFAOYSA-N 0 0 239.322 2.916 10 30 BFEERN O=C(C1=CCCCCCC1)[C@H]1CCOC1 ZINC000236399703 344368796 /nfs/dbraw/zinc/36/87/96/344368796.db2.gz IQUCAZBAGVIRAJ-LBPRGKRZSA-N 0 0 208.301 2.873 10 30 BFEERN N#Cc1nc(C2CCCC2)n2ccccc12 ZINC000084477329 344433551 /nfs/dbraw/zinc/43/35/51/344433551.db2.gz HWUSUBIZNXDBPJ-UHFFFAOYSA-N 0 0 211.268 2.864 10 30 BFEERN COc1ccc(F)cc1C(=O)C=C(C)C ZINC000234864897 344403080 /nfs/dbraw/zinc/40/30/80/344403080.db2.gz SXWKAKOMKTUGKJ-UHFFFAOYSA-N 0 0 208.232 2.983 10 30 BFEERN CCOc1cc(CC#N)cc(OCC)c1OC ZINC000037628174 344405548 /nfs/dbraw/zinc/40/55/48/344405548.db2.gz RAEYBFVYDZJRBG-UHFFFAOYSA-N 0 0 235.283 2.559 10 30 BFEERN COc1ccccc1CN[C@H]1CCCC[C@H]1C#N ZINC000054823114 344457754 /nfs/dbraw/zinc/45/77/54/344457754.db2.gz VOAYDDGIDYVGHY-JSGCOSHPSA-N 0 0 244.338 2.867 10 30 BFEERN N#Cc1cc(Cc2ccsc2)nc(C2CC2)n1 ZINC000409440465 344461112 /nfs/dbraw/zinc/46/11/12/344461112.db2.gz WVPXPCPBMSDXKC-UHFFFAOYSA-N 0 0 241.319 2.878 10 30 BFEERN CCc1[nH]nc(-c2cccs2)c1C#N ZINC000409437866 344462896 /nfs/dbraw/zinc/46/28/96/344462896.db2.gz ARMGQCKJOAYGLL-UHFFFAOYSA-N 0 0 203.270 2.572 10 30 BFEERN Cc1nc(C#N)cc([C@@H](C)c2ccccc2)n1 ZINC000409440585 344462911 /nfs/dbraw/zinc/46/29/11/344462911.db2.gz XSYPDQBWBMHOQM-JTQLQIEISA-N 0 0 223.279 2.809 10 30 BFEERN CC[C@@H](c1ccccc1)c1cc(C#N)ncn1 ZINC000409436689 344462989 /nfs/dbraw/zinc/46/29/89/344462989.db2.gz VHFBCMDSGHQQRL-ZDUSSCGKSA-N 0 0 223.279 2.890 10 30 BFEERN CCn1cc(C#N)c(-c2cccs2)n1 ZINC000409437530 344463327 /nfs/dbraw/zinc/46/33/27/344463327.db2.gz HWRJHNOPBHTQNT-UHFFFAOYSA-N 0 0 203.270 2.503 10 30 BFEERN CC(C)c1[nH]nc(-c2ccco2)c1C#N ZINC000409440180 344463386 /nfs/dbraw/zinc/46/33/86/344463386.db2.gz LKEAMEGBJZMNMU-UHFFFAOYSA-N 0 0 201.229 2.665 10 30 BFEERN CC(C)COc1ccc([C@H](C)NCC#N)cc1 ZINC000181390929 347058025 /nfs/dbraw/zinc/05/80/25/347058025.db2.gz NWLDJHFYMJGNDO-LBPRGKRZSA-N 0 0 232.327 2.896 10 30 BFEERN N#Cc1ccc(OCF)c(OC(F)(F)F)c1 ZINC000396128726 344611830 /nfs/dbraw/zinc/61/18/30/344611830.db2.gz STOLAVIAVDVSAM-UHFFFAOYSA-N 0 0 235.136 2.763 10 30 BFEERN N#CCc1cc(F)c(F)c(OC(F)F)c1 ZINC000396129736 344612144 /nfs/dbraw/zinc/61/21/44/344612144.db2.gz VQRRGGLAWNCNOR-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN COc1ccc(C(=O)C2=CCCC2)cc1 ZINC000050325064 344673020 /nfs/dbraw/zinc/67/30/20/344673020.db2.gz LLCXGEHNSCWGGO-UHFFFAOYSA-N 0 0 202.253 2.988 10 30 BFEERN CC#CCNc1ccc(C#N)cc1Br ZINC000135536123 344744111 /nfs/dbraw/zinc/74/41/11/344744111.db2.gz KZFWGAKQVZVJOL-UHFFFAOYSA-N 0 0 249.111 2.756 10 30 BFEERN CO[C@]1(C#N)CCc2cc(Cl)ccc21 ZINC000128022733 344712358 /nfs/dbraw/zinc/71/23/58/344712358.db2.gz UBAAENRBGFJYTQ-NSHDSACASA-N 0 0 207.660 2.651 10 30 BFEERN CC(C)(C)OC(=O)NCCCCCC#N ZINC000039093710 344807739 /nfs/dbraw/zinc/80/77/39/344807739.db2.gz JLRCBHBWRJJRDB-UHFFFAOYSA-N 0 0 212.293 2.595 10 30 BFEERN C=C(CC)Cn1cnc(Cl)c(Cl)c1=O ZINC000166306450 344851853 /nfs/dbraw/zinc/85/18/53/344851853.db2.gz KBCACSHHBIVWQH-UHFFFAOYSA-N 0 0 233.098 2.516 10 30 BFEERN C#C[C@@H](C)Oc1cc(Cl)ccc1C=O ZINC000235248526 344856772 /nfs/dbraw/zinc/85/67/72/344856772.db2.gz ZODKIIOZWPADQC-MRVPVSSYSA-N 0 0 208.644 2.553 10 30 BFEERN C#C[C@@H](C)N[C@H](C)c1ccc(Br)o1 ZINC000166402749 344888615 /nfs/dbraw/zinc/88/86/15/344888615.db2.gz GRAQOIYMJBJVIV-HTQZYQBOSA-N 0 0 242.116 2.714 10 30 BFEERN Cc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000166423117 344895263 /nfs/dbraw/zinc/89/52/63/344895263.db2.gz VVUNMUNLOFWGIT-UHFFFAOYSA-N 0 0 201.147 2.765 10 30 BFEERN N#C[C@@]1(CC[C@@H]2CCCO2)CCCS1 ZINC000166460095 344901160 /nfs/dbraw/zinc/90/11/60/344901160.db2.gz MPDKIYIFZKBFCQ-QWRGUYRKSA-N 0 0 211.330 2.735 10 30 BFEERN C#C[C@H](C)NCc1cccc(F)c1Cl ZINC000166706393 344967197 /nfs/dbraw/zinc/96/71/97/344967197.db2.gz JMNRZGHIAGKKKE-QMMMGPOBSA-N 0 0 211.667 2.590 10 30 BFEERN CC[C@H](S)C(=O)Nc1cccc(C)c1 ZINC000238274684 345003372 /nfs/dbraw/zinc/00/33/72/345003372.db2.gz VFFTWOZQKLHDIX-JTQLQIEISA-N 0 0 209.314 2.642 10 30 BFEERN Cc1occc1-c1cc(N)c(C#N)s1 ZINC000044273272 345005078 /nfs/dbraw/zinc/00/50/78/345005078.db2.gz CARVDFNGJUSHDP-UHFFFAOYSA-N 0 0 204.254 2.770 10 30 BFEERN N#CCc1ccc(C(F)(F)F)cc1C#N ZINC000044369608 345041994 /nfs/dbraw/zinc/04/19/94/345041994.db2.gz MEWYTAPJRBNUTR-UHFFFAOYSA-N 0 0 210.158 2.643 10 30 BFEERN N#Cc1cc(Cl)cc(OC(F)F)c1 ZINC000238525349 345069727 /nfs/dbraw/zinc/06/97/27/345069727.db2.gz HXQZKEIHWDQEHG-UHFFFAOYSA-N 0 0 203.575 2.813 10 30 BFEERN Nc1ccc(C#Cc2ccccc2)cc1F ZINC000167186633 345105509 /nfs/dbraw/zinc/10/55/09/345105509.db2.gz HQQWKWWKAKZVFD-UHFFFAOYSA-N 0 0 211.239 2.808 10 30 BFEERN N#C[C@H]1CCC[C@@H]1Nc1ncnc2sccc21 ZINC000408327479 345175987 /nfs/dbraw/zinc/17/59/87/345175987.db2.gz DNFGZSLWOSXECS-SCZZXKLOSA-N 0 0 244.323 2.795 10 30 BFEERN CC(C)c1cc(N[C@H]2CCC[C@@H]2C#N)ncn1 ZINC000408327493 345177003 /nfs/dbraw/zinc/17/70/03/345177003.db2.gz DXNMPIOHKXMKEP-MNOVXSKESA-N 0 0 230.315 2.704 10 30 BFEERN N#CCc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000390091753 345228631 /nfs/dbraw/zinc/22/86/31/345228631.db2.gz JPIODDRIKFEPEX-UHFFFAOYSA-N 0 0 230.145 2.680 10 30 BFEERN C#CCCC(=O)c1ccc(N)c(Cl)c1 ZINC000226513562 345229185 /nfs/dbraw/zinc/22/91/85/345229185.db2.gz YOEIOPXBSBFURU-UHFFFAOYSA-N 0 0 207.660 2.518 10 30 BFEERN CCCCO/C=C\C(=O)C(F)(F)Cl ZINC000215793964 349926415 /nfs/dbraw/zinc/92/64/15/349926415.db2.gz OJELCGWVOBLRJY-XQRVVYSFSA-N 0 0 212.623 2.718 10 30 BFEERN CC[C@@](C)(C#N)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000136209669 345487836 /nfs/dbraw/zinc/48/78/36/345487836.db2.gz USHFEIFLITUTCH-GWCFXTLKSA-N 0 0 234.299 2.705 10 30 BFEERN Cc1ccc(C#N)cc1NC(=O)C1CC(C)C1 ZINC000084754719 345524358 /nfs/dbraw/zinc/52/43/58/345524358.db2.gz ZKTFICMKJBCWRK-UHFFFAOYSA-N 0 0 228.295 2.851 10 30 BFEERN Cc1ccc([N+](=O)[O-])c(Br)c1C#N ZINC000307400377 345561509 /nfs/dbraw/zinc/56/15/09/345561509.db2.gz ABECFSWLSOFMLB-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN CCOc1cc(C#N)cc(OCC)c1OCC ZINC000062351287 345692249 /nfs/dbraw/zinc/69/22/49/345692249.db2.gz CQGBUSPSKKLRJR-UHFFFAOYSA-N 0 0 235.283 2.754 10 30 BFEERN COC(=O)c1sc(C#CC(C)(C)C)cc1N ZINC000113130386 345753664 /nfs/dbraw/zinc/75/36/64/345753664.db2.gz MDDXNVPRRYHPMO-UHFFFAOYSA-N 0 0 237.324 2.515 10 30 BFEERN CC#CC[C@H](O)c1csc(Br)c1 ZINC000158873783 345735096 /nfs/dbraw/zinc/73/50/96/345735096.db2.gz DDEIHSRAFSXEAG-QMMMGPOBSA-N 0 0 245.141 2.957 10 30 BFEERN O/N=C/c1csc(-c2ccccc2)n1 ZINC000140597122 345812686 /nfs/dbraw/zinc/81/26/86/345812686.db2.gz APEWQEYZBRNOLK-IZZDOVSWSA-N 0 0 204.254 2.618 10 30 BFEERN NC(=O)c1ccccc1N=Cc1ccc(F)cc1 ZINC000257352253 345773773 /nfs/dbraw/zinc/77/37/73/345773773.db2.gz KAYRUENEQXLRBB-UHFFFAOYSA-N 0 0 242.253 2.675 10 30 BFEERN CCCCCCC[C@](O)(C(N)=O)c1ccccc1 ZINC000034804574 345842544 /nfs/dbraw/zinc/84/25/44/345842544.db2.gz FXKCDILPUXRDAT-OAHLLOKOSA-N 0 0 249.354 2.720 10 30 in-vivo BFEERN N#Cc1cccc(Sc2ccncc2)c1C#N ZINC000218962837 345856929 /nfs/dbraw/zinc/85/69/29/345856929.db2.gz RGZVCEBWBSPWMS-UHFFFAOYSA-N 0 0 237.287 2.976 10 30 BFEERN COCOc1cc(C#N)ccc1-c1ccccn1 ZINC000140848390 345858370 /nfs/dbraw/zinc/85/83/70/345858370.db2.gz NIHZWYULUACDOC-UHFFFAOYSA-N 0 0 240.262 2.603 10 30 BFEERN CO[C@@H](C/C(N)=N/O)c1ccc2ccccc2c1 ZINC000034412757 345827741 /nfs/dbraw/zinc/82/77/41/345827741.db2.gz NWILWOWOONQXNE-ZDUSSCGKSA-N 0 0 244.294 2.664 10 30 BFEERN C#C[C@@H](O)CCc1cc2ccccc2s1 ZINC000137073944 345832253 /nfs/dbraw/zinc/83/22/53/345832253.db2.gz FQDVDYXKZIOYLV-LLVKDONJSA-N 0 0 216.305 2.828 10 30 BFEERN C=C[C@]1(CCOCc2ccccc2)COC(=O)C1 ZINC000034434980 345833520 /nfs/dbraw/zinc/83/35/20/345833520.db2.gz BKKUPZJJLZZFRQ-OAHLLOKOSA-N 0 0 246.306 2.713 10 30 BFEERN CC1(C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 ZINC000146160480 345957460 /nfs/dbraw/zinc/95/74/60/345957460.db2.gz CBMGCTRQNAHZIE-HWKANZROSA-N 0 0 230.263 2.798 10 30 BFEERN C=CCNc1ccccc1C(=O)NCCCC ZINC000095584928 187361865 /nfs/dbraw/zinc/36/18/65/187361865.db2.gz ULZACASVIQQGSW-UHFFFAOYSA-N 0 0 232.327 2.814 10 30 BFEERN CC#CCC(=O)C1(c2ccccc2)CCOCC1 ZINC000062783357 187361944 /nfs/dbraw/zinc/36/19/44/187361944.db2.gz LSGVFLVICUULGL-UHFFFAOYSA-N 0 0 242.318 2.717 10 30 BFEERN N#CCSc1ccc(N)cc1Br ZINC000148248263 346033974 /nfs/dbraw/zinc/03/39/74/346033974.db2.gz RNCOFWWBJYZMFG-UHFFFAOYSA-N 0 0 243.129 2.647 10 30 BFEERN N#Cc1cccc(CN2CCc3cc(N)ccc32)c1 ZINC000019874927 187314848 /nfs/dbraw/zinc/31/48/48/187314848.db2.gz WQTFUEJWNWSKTR-UHFFFAOYSA-N 0 0 249.317 2.703 10 30 BFEERN CN(C/C=C/Cl)c1ccc(C#N)cc1 ZINC000061956360 346183484 /nfs/dbraw/zinc/18/34/84/346183484.db2.gz OQRNVBJKHDLIRZ-FARCUNLSSA-N 0 0 206.676 2.747 10 30 BFEERN O=C(c1cnsn1)C1=CCCCCC1 ZINC000236393590 346235267 /nfs/dbraw/zinc/23/52/67/346235267.db2.gz YKCRSZCUFRUBQS-UHFFFAOYSA-N 0 0 208.286 2.611 10 30 BFEERN Cc1cccc(/C=C2/C(=O)C3CCN2CC3)c1 ZINC000100904618 179002929 /nfs/dbraw/zinc/00/29/29/179002929.db2.gz CJJVGIHKDDLKOO-UVTDQMKNSA-N 0 0 227.307 2.631 10 30 BFEERN C=CC(=O)c1cc(F)ccc1Br ZINC000167362725 346240297 /nfs/dbraw/zinc/24/02/97/346240297.db2.gz SMLBNNINUZJIFT-UHFFFAOYSA-N 0 0 229.048 2.957 10 30 BFEERN O=CCCSc1cc(F)ccc1F ZINC000062546862 346279112 /nfs/dbraw/zinc/27/91/12/346279112.db2.gz DIAXAUUQLMYISZ-UHFFFAOYSA-N 0 0 202.225 2.646 10 30 BFEERN CCC1CCC(CC(=O)OC)([C@H]2CO2)CC1 ZINC000675052262 537962499 /nfs/dbraw/zinc/96/24/99/537962499.db2.gz CKATYQYJXQMMKW-QWKFWESOSA-N 0 0 226.316 2.535 10 30 BFEERN N=C(C(F)=C(NF)C(F)(F)F)C(F)(F)F ZINC000604221038 346288678 /nfs/dbraw/zinc/28/86/78/346288678.db2.gz NVIJZPWIYBXUOO-PPUAEEJLSA-N 0 0 242.069 2.576 10 30 BFEERN N=C(C(F)=C(NF)C(F)(F)F)C(F)(F)F ZINC000604221037 346289129 /nfs/dbraw/zinc/28/91/29/346289129.db2.gz NVIJZPWIYBXUOO-PJGWXLILSA-N 0 0 242.069 2.576 10 30 BFEERN C[C@@H](C#N)[C@H](O)c1cc(Cl)ccc1F ZINC000163798827 346577604 /nfs/dbraw/zinc/57/76/04/346577604.db2.gz RSOMZGIFEVAQJS-WKEGUHRASA-N 0 0 213.639 2.672 10 30 BFEERN O=[N+]([O-])c1cccc(Cl)c1CS ZINC000164798592 346626576 /nfs/dbraw/zinc/62/65/76/346626576.db2.gz XMOOFTNDFOOQKC-UHFFFAOYSA-N 0 0 203.650 2.678 10 30 BFEERN CO/N=C1\CCc2cc(C3CC3)ccc21 ZINC000167165377 346700560 /nfs/dbraw/zinc/70/05/60/346700560.db2.gz DJTXGTWVLPOXLA-BUHFOSPRSA-N 0 0 201.269 2.861 10 30 BFEERN Cc1cccc(Oc2ccc(/C(N)=N/O)cc2)c1 ZINC000019866011 179175864 /nfs/dbraw/zinc/17/58/64/179175864.db2.gz CEXHROBOJWXJAN-UHFFFAOYSA-N 0 0 242.278 2.882 10 30 BFEERN CC(C)[S@](=O)[C@@H]1CCCCC[C@H]1C#N ZINC000250573731 362811075 /nfs/dbraw/zinc/81/10/75/362811075.db2.gz MWFGIXSNGLCFII-WDMOLILDSA-N 0 0 213.346 2.616 10 30 BFEERN COc1ccc(F)cc1CN[C@@H]1CCC[C@H]1C#N ZINC000310843426 347311724 /nfs/dbraw/zinc/31/17/24/347311724.db2.gz LBSFPUISWIDHEF-GXFFZTMASA-N 0 0 248.301 2.616 10 30 BFEERN Cc1ccccc1-c1ccc(C#N)c(N)n1 ZINC000050871126 179235430 /nfs/dbraw/zinc/23/54/30/179235430.db2.gz FZGYBYDHBWWIHV-UHFFFAOYSA-N 0 0 209.252 2.511 10 30 BFEERN Cc1ccccc1C(N)=NC(=O)OC(C)(C)C ZINC000082547538 179243381 /nfs/dbraw/zinc/24/33/81/179243381.db2.gz DEJHCNOEWVEWPY-UHFFFAOYSA-N 0 0 234.299 2.635 10 30 BFEERN Cc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1F ZINC000110976750 347473068 /nfs/dbraw/zinc/47/30/68/347473068.db2.gz SQZVWLQCJSHQFD-TZMCWYRMSA-N 0 0 232.302 2.916 10 30 BFEERN CC[C@](C)(C#N)C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000367704707 347581200 /nfs/dbraw/zinc/58/12/00/347581200.db2.gz FTVPSNDNEVQIEI-SGMGOOAPSA-N 0 0 234.343 2.717 10 30 BFEERN CC(=O)c1cccc(C#C[Si](C)(C)C)n1 ZINC000196242894 347843730 /nfs/dbraw/zinc/84/37/30/347843730.db2.gz AAWBDEAPGNSKFN-UHFFFAOYSA-N 0 0 217.344 2.513 10 30 BFEERN C[Si](C)(C)C#Cc1cccc(C2OCCO2)c1 ZINC000196567825 347937364 /nfs/dbraw/zinc/93/73/64/347937364.db2.gz ZNAXMZBUNCJLOX-UHFFFAOYSA-N 0 0 246.382 2.961 10 30 BFEERN C[C@@H](C#N)C(=O)c1ccc(Br)cc1 ZINC000036935053 347963747 /nfs/dbraw/zinc/96/37/47/347963747.db2.gz UUJYMMCEBGPRLY-ZETCQYMHSA-N 0 0 238.084 2.791 10 30 BFEERN CC[C@@H](C#N)C(=O)c1ccc(Br)o1 ZINC000036915994 347963782 /nfs/dbraw/zinc/96/37/82/347963782.db2.gz BAXVJJBEXFATGU-LURJTMIESA-N 0 0 242.072 2.775 10 30 BFEERN C[C@H](C=O)Sc1ccc(F)cc1F ZINC000616571421 348201491 /nfs/dbraw/zinc/20/14/91/348201491.db2.gz GVKHAZRXPBAGGZ-ZCFIWIBFSA-N 0 0 202.225 2.644 10 30 BFEERN CCC#C[C@@H](C)N[C@@H](C)c1csc(C)n1 ZINC000389624506 538000159 /nfs/dbraw/zinc/00/01/59/538000159.db2.gz JWSLWWHZKKMNGO-ZJUUUORDSA-N 0 0 222.357 2.904 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1NCc1ccncc1Cl ZINC000595688537 348314036 /nfs/dbraw/zinc/31/40/36/348314036.db2.gz FUOHIMBMZXSLGN-MFKMUULPSA-N 0 0 249.745 2.907 10 30 BFEERN C[C@@H]1C[C@@](C#N)(NCc2ccccc2)C[C@H](C)O1 ZINC000251754016 362906211 /nfs/dbraw/zinc/90/62/11/362906211.db2.gz DHZGKVDHFYHHIS-AGGWBTHJSA-N 0 0 244.338 2.626 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC000597338419 348719868 /nfs/dbraw/zinc/71/98/68/348719868.db2.gz HLKFCNSRWPEMII-CHWSQXEVSA-N 0 0 246.354 2.765 10 30 BFEERN C=CCc1cc2ccccc2c(=O)c(O)c1 ZINC000039097281 348891905 /nfs/dbraw/zinc/89/19/05/348891905.db2.gz FLOGJMVCOIULQR-UHFFFAOYSA-N 0 0 212.248 2.634 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1cncc(Cl)c1 ZINC000598615811 349000237 /nfs/dbraw/zinc/00/02/37/349000237.db2.gz GDZGTCRPRFOPHW-ZYHUDNBSSA-N 0 0 235.718 2.517 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1NCc1cncc(Cl)c1 ZINC000598627364 349004473 /nfs/dbraw/zinc/00/44/73/349004473.db2.gz RGSLYQOYPLTOKI-WCQYABFASA-N 0 0 249.745 2.907 10 30 BFEERN C[C@@H](C=O)Sc1ccc2ccccc2n1 ZINC000616573526 349071362 /nfs/dbraw/zinc/07/13/62/349071362.db2.gz SDKOEDZETYZLHE-VIFPVBQESA-N 0 0 217.293 2.914 10 30 BFEERN CC(C)c1nc(C#N)c(N2CCCCC2)o1 ZINC000616573767 349072943 /nfs/dbraw/zinc/07/29/43/349072943.db2.gz LAVOXOHEKHRKAP-UHFFFAOYSA-N 0 0 219.288 2.660 10 30 BFEERN Cc1ccc2[nH]c(S[C@@H](C)C=O)nc2c1 ZINC000616573996 349074727 /nfs/dbraw/zinc/07/47/27/349074727.db2.gz WOAFHZPRDAOLCG-QMMMGPOBSA-N 0 0 220.297 2.551 10 30 BFEERN Cc1nc(-c2cc(CS)no2)cs1 ZINC000725252151 538033071 /nfs/dbraw/zinc/03/30/71/538033071.db2.gz GEICNHYBQUNSNK-UHFFFAOYSA-N 0 0 212.299 2.536 10 30 BFEERN CC(C)[C@H]1CCc2onc(CS)c2C1 ZINC000725253110 538035969 /nfs/dbraw/zinc/03/59/69/538035969.db2.gz WVQIZCVEXZYCET-QMMMGPOBSA-N 0 0 211.330 2.865 10 30 BFEERN CCN(CC#N)C[C@@H]1CCCCC1(F)F ZINC000381666048 349260461 /nfs/dbraw/zinc/26/04/61/349260461.db2.gz KMMLSEAVQJDLCV-JTQLQIEISA-N 0 0 216.275 2.657 10 30 BFEERN OC1(CC#Cc2ccsc2)CCCC1 ZINC000616581298 349263802 /nfs/dbraw/zinc/26/38/02/349263802.db2.gz MGZPAQAGZAUUAH-UHFFFAOYSA-N 0 0 206.310 2.795 10 30 BFEERN CCCCCC#CC[C@H](O)C(F)(F)F ZINC000616581516 349264450 /nfs/dbraw/zinc/26/44/50/349264450.db2.gz XIFJEVMYMYBEIH-VIFPVBQESA-N 0 0 208.223 2.883 10 30 BFEERN CCOC(C#CC[C@H](O)c1ccccc1)OCC ZINC000725254157 538042749 /nfs/dbraw/zinc/04/27/49/538042749.db2.gz OIPRUGWLAXTALY-AWEZNQCLSA-N 0 0 248.322 2.513 10 30 BFEERN CC#CCC(=O)Cc1ccccc1Cl ZINC000051664627 350021635 /nfs/dbraw/zinc/02/16/35/350021635.db2.gz PLSYLBFQIPSLEJ-UHFFFAOYSA-N 0 0 206.672 2.865 10 30 BFEERN CC#CCNCc1ccccc1Br ZINC000051663442 350022025 /nfs/dbraw/zinc/02/20/25/350022025.db2.gz FACKTLNNJWSKBI-UHFFFAOYSA-N 0 0 238.128 2.562 10 30 BFEERN CC(C)(O)c1ccc([C@@H](C#N)CC2CC2)cn1 ZINC000217349100 350050516 /nfs/dbraw/zinc/05/05/16/350050516.db2.gz RPIZYMDWBUXFSN-GFCCVEGCSA-N 0 0 230.311 2.716 10 30 BFEERN N#C[C@H](CC1CC1)c1cnc(C(F)(F)F)nc1 ZINC000217349960 350050716 /nfs/dbraw/zinc/05/07/16/350050716.db2.gz HWCLPBZLDMYOFS-QMMMGPOBSA-N 0 0 241.216 2.903 10 30 BFEERN CC(=O)c1ccc([C@@H](C#N)CC2CC2)cn1 ZINC000217348936 350050750 /nfs/dbraw/zinc/05/07/50/350050750.db2.gz QXIZFBPEZLGUMY-GFCCVEGCSA-N 0 0 214.268 2.691 10 30 BFEERN Cc1nc(Cc2ccccc2)ccc1C#N ZINC000098178502 179985316 /nfs/dbraw/zinc/98/53/16/179985316.db2.gz AVJXPTUIMVMOEV-UHFFFAOYSA-N 0 0 208.264 2.853 10 30 BFEERN O=CC[C@H](O)c1c(Cl)cccc1Cl ZINC000159363583 350068773 /nfs/dbraw/zinc/06/87/73/350068773.db2.gz DHGMUZLJGANIPS-QMMMGPOBSA-N 0 0 219.067 2.616 10 30 BFEERN Cc1c(CC#N)c(C)c([N+](=O)[O-])c(C)c1CC#N ZINC000039171186 350113453 /nfs/dbraw/zinc/11/34/53/350113453.db2.gz DGHRUORTRGTXDC-UHFFFAOYSA-N 0 0 243.266 2.652 10 30 BFEERN c1ccc2cc(COC[C@H]3CO3)ccc2c1 ZINC000006118781 350086598 /nfs/dbraw/zinc/08/65/98/350086598.db2.gz JAVBKFHOUXSHNP-AWEZNQCLSA-N 0 0 214.264 2.755 10 30 BFEERN N#CC1(C2(O)CCC(F)(F)CC2)CCC1 ZINC000218381468 350091789 /nfs/dbraw/zinc/09/17/89/350091789.db2.gz YJZWZEVRSGOTAJ-UHFFFAOYSA-N 0 0 215.243 2.621 10 30 BFEERN CC[C@@](CC#N)(Cc1ccccc1)C(=O)OC ZINC000039076692 350115202 /nfs/dbraw/zinc/11/52/02/350115202.db2.gz MKNDDKRPUUCZCK-CQSZACIVSA-N 0 0 231.295 2.712 10 30 BFEERN N#C[C@@H]1CCSc2ccccc2C1=O ZINC000039402462 350116370 /nfs/dbraw/zinc/11/63/70/350116370.db2.gz HJZCPNXVXIDMNL-QMMMGPOBSA-N 0 0 203.266 2.505 10 30 BFEERN C=CCOc1cc2oc(=O)ccc2c(C)c1C ZINC000039477196 350116754 /nfs/dbraw/zinc/11/67/54/350116754.db2.gz NFHLGUSYAWIPEF-UHFFFAOYSA-N 0 0 230.263 2.975 10 30 BFEERN N#CCCc1c[nH]nc1-c1cccs1 ZINC000409439122 350138666 /nfs/dbraw/zinc/13/86/66/350138666.db2.gz HCBPGKIJNDTPEJ-UHFFFAOYSA-N 0 0 203.270 2.594 10 30 BFEERN Cc1nc2ccccc2n1-c1ccc(C#N)cn1 ZINC000019802305 180102223 /nfs/dbraw/zinc/10/22/23/180102223.db2.gz LLVCFYUMZBXXOQ-UHFFFAOYSA-N 0 0 234.262 2.601 10 30 BFEERN N#Cc1cc(C(F)(F)F)cc(N)c1Cl ZINC000039369906 350174104 /nfs/dbraw/zinc/17/41/04/350174104.db2.gz WFBBJTIRSUAZKT-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN CCCCC/C=C\CCCOS(C)(=O)=O ZINC000220879632 350189370 /nfs/dbraw/zinc/18/93/70/350189370.db2.gz CXVZLFPVVQXNDX-FPLPWBNLSA-N 0 0 234.361 2.879 10 30 BFEERN O=C[C@@]1(c2ccc(F)c(F)c2)C[C@H](F)C1 ZINC000725259039 538078865 /nfs/dbraw/zinc/07/88/65/538078865.db2.gz RAXCCZZIVIAIDC-DKTWLAJQSA-N 0 0 214.186 2.533 10 30 BFEERN CCc1nc(CN[C@H]2CCCC[C@@H]2C#N)cs1 ZINC000328158100 350376234 /nfs/dbraw/zinc/37/62/34/350376234.db2.gz UQMITVPHAQQASE-PWSUYJOCSA-N 0 0 249.383 2.877 10 30 BFEERN Cc1ccnc(CN[C@H]2CCCC[C@@H]2C#N)c1 ZINC000328151589 350376593 /nfs/dbraw/zinc/37/65/93/350376593.db2.gz FLDYIUUQHFWWQX-OCCSQVGLSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1nn(C)c(N[C@H]2CCCC[C@H]2C)c1C#N ZINC000104425009 180360520 /nfs/dbraw/zinc/36/05/20/180360520.db2.gz IEGNMFJTCHSWNT-SKDRFNHKSA-N 0 0 232.331 2.591 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@@]12CC[C@H](CC)C2 ZINC000252582188 538094612 /nfs/dbraw/zinc/09/46/12/538094612.db2.gz UQNIVHONWBNLPY-UHTWSYAYSA-N 0 0 226.316 2.677 10 30 BFEERN CCOC(=O)N1CCC[C@@H]1c1ccc(C#N)cc1 ZINC000616607636 350802111 /nfs/dbraw/zinc/80/21/11/350802111.db2.gz WGKQWSYBHJQUSD-CYBMUJFWSA-N 0 0 244.294 2.852 10 30 BFEERN CCOC(=O)N1CC[C@H](c2ccc(C#N)cc2)C1 ZINC000616610781 350807073 /nfs/dbraw/zinc/80/70/73/350807073.db2.gz YNASYFSFYTWOAB-ZDUSSCGKSA-N 0 0 244.294 2.504 10 30 BFEERN O=C[C@H]1CCC[C@@]2(CC3CCC2CC3)O1 ZINC000306682976 350839456 /nfs/dbraw/zinc/83/94/56/350839456.db2.gz UCQMEXVTSNGZDP-TUUUFIMRSA-N 0 0 208.301 2.703 10 30 BFEERN C/C=C/C(=O)c1cc(OC)c(OC)cc1C ZINC000015022458 350850584 /nfs/dbraw/zinc/85/05/84/350850584.db2.gz KOWZBVFGLGGOHC-AATRIKPKSA-N 0 0 220.268 2.771 10 30 BFEERN C=C(c1cnc(N)cc1C)C(F)(F)F ZINC000306715423 350876642 /nfs/dbraw/zinc/87/66/42/350876642.db2.gz YVNSZGNRTKYRRV-UHFFFAOYSA-N 0 0 202.179 2.548 10 30 BFEERN C[C@H]1CCC[C@@]1(C=O)Cc1cscn1 ZINC000306722546 350889684 /nfs/dbraw/zinc/88/96/84/350889684.db2.gz FRBGPENGLVOVKI-ONGXEEELSA-N 0 0 209.314 2.691 10 30 BFEERN C[C@@H](S)c1cnn(-c2ccccc2)c1 ZINC000128995917 350962295 /nfs/dbraw/zinc/96/22/95/350962295.db2.gz HJCTWZZVFIXEHL-SECBINFHSA-N 0 0 204.298 2.863 10 30 BFEERN C#CCOc1cc(Cl)c(Cl)cc1N ZINC000231633630 350990487 /nfs/dbraw/zinc/99/04/87/350990487.db2.gz SZDJXQKCMJFMAW-UHFFFAOYSA-N 0 0 216.067 2.588 10 30 BFEERN C[C@H](C#N)Nc1ccc(F)c(Br)c1 ZINC000159928639 351037745 /nfs/dbraw/zinc/03/77/45/351037745.db2.gz FINHFZPNIWWSQJ-ZCFIWIBFSA-N 0 0 243.079 2.912 10 30 BFEERN CCc1ccc2[nH]c(C(=O)CC#N)cc2c1 ZINC000149886762 358459869 /nfs/dbraw/zinc/45/98/69/358459869.db2.gz AIXAAWIWHZOCHT-UHFFFAOYSA-N 0 0 212.252 2.827 10 30 BFEERN C=C(Cl)CNc1cc(Cl)nnc1Cl ZINC000168012532 351260617 /nfs/dbraw/zinc/26/06/17/351260617.db2.gz CCYLGFJYGVPJOY-UHFFFAOYSA-N 0 0 238.505 2.948 10 30 BFEERN Cc1c(C#N)ccc(Br)c1[N+](=O)[O-] ZINC000306901535 351316591 /nfs/dbraw/zinc/31/65/91/351316591.db2.gz OJTIHWMVPAKNNR-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN C=C(C)[C@@H](O)c1cc(Br)ccc1N ZINC000306876655 351270404 /nfs/dbraw/zinc/27/04/04/351270404.db2.gz HNZHPPNUEFARBC-SNVBAGLBSA-N 0 0 242.116 2.641 10 30 BFEERN C[C@H](C#N)C(=O)c1cccc(Br)c1 ZINC000034975755 351370401 /nfs/dbraw/zinc/37/04/01/351370401.db2.gz AZSPAXVKKWYCQA-SSDOTTSWSA-N 0 0 238.084 2.791 10 30 BFEERN OC1(C#Cc2cccs2)CCCCC1 ZINC000035016089 351382125 /nfs/dbraw/zinc/38/21/25/351382125.db2.gz DBMOJHJFIFXPDC-UHFFFAOYSA-N 0 0 206.310 2.795 10 30 BFEERN CCc1ccsc1C(=O)C1=CCCO1 ZINC000168362897 351390977 /nfs/dbraw/zinc/39/09/77/351390977.db2.gz GLHCOMXTOFNVQP-UHFFFAOYSA-N 0 0 208.282 2.797 10 30 BFEERN Cc1c(CC#N)ccc(Cl)c1[N+](=O)[O-] ZINC000306985007 351402217 /nfs/dbraw/zinc/40/22/17/351402217.db2.gz VUSRXMUXCDYSHS-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN N#Cc1c(N)c(C(F)(F)F)ccc1Cl ZINC000306936877 351361141 /nfs/dbraw/zinc/36/11/41/351361141.db2.gz IMOYZBLKTHXIAM-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN C#C[C@H](O)c1cc(C)c(Br)c(C)c1 ZINC000307032963 351433124 /nfs/dbraw/zinc/43/31/24/351433124.db2.gz QQMGOLYQCKDTAM-JTQLQIEISA-N 0 0 239.112 2.733 10 30 BFEERN O=CC1(C[C@@H]2CCC[C@@H](O)C2)CCCC1 ZINC000307027525 351435319 /nfs/dbraw/zinc/43/53/19/351435319.db2.gz BALJEBOVORGJAE-VXGBXAGGSA-N 0 0 210.317 2.687 10 30 BFEERN C[C@@H](NCC#N)c1cccc(Cl)c1F ZINC000306996974 351411851 /nfs/dbraw/zinc/41/18/51/351411851.db2.gz URORQTDAJREHEA-SSDOTTSWSA-N 0 0 212.655 2.653 10 30 BFEERN COc1ccc(CN[C@@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000405028380 351468289 /nfs/dbraw/zinc/46/82/89/351468289.db2.gz OILSLVUTEHZPIN-QMTHXVAHSA-N 0 0 248.301 2.616 10 30 BFEERN CC1(C)CC[C@@H](C[C@]2(C=O)CCCS2)O1 ZINC000307256570 351791558 /nfs/dbraw/zinc/79/15/58/351791558.db2.gz CGFSRWYJMZMCTH-JQWIXIFHSA-N 0 0 228.357 2.799 10 30 BFEERN N#C[C@@]1(Cc2sccc2Cl)CCCN1 ZINC000307288515 351854950 /nfs/dbraw/zinc/85/49/50/351854950.db2.gz CDPKERAXTHINCO-JTQLQIEISA-N 0 0 226.732 2.590 10 30 BFEERN C#CCOc1ccc(F)cc1Br ZINC000019479975 187544577 /nfs/dbraw/zinc/54/45/77/187544577.db2.gz NKDGIXACNXVWNY-UHFFFAOYSA-N 0 0 229.048 2.600 10 30 BFEERN Cn1cc(S[C@@H]2CCCCC[C@@H]2C#N)cn1 ZINC000042406127 180663895 /nfs/dbraw/zinc/66/38/95/180663895.db2.gz QDPUWDHPMQJEFV-ZYHUDNBSSA-N 0 0 235.356 2.985 10 30 BFEERN CSc1ccccc1C(=O)C1=CCCO1 ZINC000168375052 351996282 /nfs/dbraw/zinc/99/62/82/351996282.db2.gz ISNMHHLNKXIKPK-UHFFFAOYSA-N 0 0 220.293 2.895 10 30 BFEERN C=C(Cl)CNc1ncc(Cl)s1 ZINC000307330952 352047084 /nfs/dbraw/zinc/04/70/84/352047084.db2.gz YPPDDXRDYXFFOA-UHFFFAOYSA-N 0 0 209.101 2.961 10 30 BFEERN CC(C)(C)Oc1cccc(C#N)c1C#N ZINC000039090706 187600214 /nfs/dbraw/zinc/60/02/14/187600214.db2.gz VBCKKGOFHXBKQF-UHFFFAOYSA-N 0 0 200.241 2.607 10 30 BFEERN N#CCc1cc(O)cc(Cl)c1Cl ZINC000307340540 352079044 /nfs/dbraw/zinc/07/90/44/352079044.db2.gz IXKIQOJTMSTXSD-UHFFFAOYSA-N 0 0 202.040 2.765 10 30 BFEERN N#CCCN(c1ccccc1)[C@H]1CCCC[C@@H]1O ZINC000037691599 187596842 /nfs/dbraw/zinc/59/68/42/187596842.db2.gz UEOSSHYWMAVQGM-GJZGRUSLSA-N 0 0 244.338 2.710 10 30 BFEERN COc1cccc(C#Cc2csc(C)n2)c1 ZINC000013680876 187650606 /nfs/dbraw/zinc/65/06/06/187650606.db2.gz OFMNNPTVFPHRMM-UHFFFAOYSA-N 0 0 229.304 2.860 10 30 in-vivo BFEERN O=C[C@H]1CC[C@H](c2ccc(Cl)cc2)O1 ZINC000307477443 352618156 /nfs/dbraw/zinc/61/81/56/352618156.db2.gz DFIUWNVXPGTQTE-GHMZBOCLSA-N 0 0 210.660 2.759 10 30 BFEERN N#CCNc1cc(F)ccc1Br ZINC000232246475 352576210 /nfs/dbraw/zinc/57/62/10/352576210.db2.gz NDNYNLKWWRJOHO-UHFFFAOYSA-N 0 0 229.052 2.524 10 30 BFEERN Cc1ccc(F)c([C@H]2CC[C@@H](C=O)O2)c1 ZINC000307542825 352644135 /nfs/dbraw/zinc/64/41/35/352644135.db2.gz ARYMZSHEQHEBIV-JOYOIKCWSA-N 0 0 208.232 2.553 10 30 BFEERN C[C@]1(CC#N)CC[C@](C)(C(F)(F)F)O1 ZINC000307553670 352648581 /nfs/dbraw/zinc/64/85/81/352648581.db2.gz LLYHCPOQAVAHBD-HTQZYQBOSA-N 0 0 207.195 2.790 10 30 BFEERN O=C(c1cc2c(s1)CCC2)C1=COCC1 ZINC000307571786 352656304 /nfs/dbraw/zinc/65/63/04/352656304.db2.gz FBJLKDQWESLYEP-UHFFFAOYSA-N 0 0 220.293 2.724 10 30 BFEERN C[C@@H]1CCC[C@]1(C=O)Cc1ccccn1 ZINC000307569113 352657815 /nfs/dbraw/zinc/65/78/15/352657815.db2.gz VLOIBPBUXVLSIE-DGCLKSJQSA-N 0 0 203.285 2.629 10 30 BFEERN CCc1ccc([C@@H]2CC[C@](C)(C=O)O2)o1 ZINC000307574491 352658374 /nfs/dbraw/zinc/65/83/74/352658374.db2.gz HHZFZSBONSFGOI-NWDGAFQWSA-N 0 0 208.257 2.651 10 30 BFEERN CCc1ccc([C@H]2CC[C@](C)(C=O)O2)o1 ZINC000307574493 352658497 /nfs/dbraw/zinc/65/84/97/352658497.db2.gz HHZFZSBONSFGOI-VXGBXAGGSA-N 0 0 208.257 2.651 10 30 BFEERN Cc1cc(C#N)cc(Br)c1[N+](=O)[O-] ZINC000307529064 352634862 /nfs/dbraw/zinc/63/48/62/352634862.db2.gz LCHFIAUIFSHBRO-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN O=C(c1ccoc1Br)C1=CCCO1 ZINC000232463976 352715483 /nfs/dbraw/zinc/71/54/83/352715483.db2.gz KIGRCTBEWPLUJL-UHFFFAOYSA-N 0 0 243.056 2.529 10 30 BFEERN COc1ccc(Cl)cc1NCCC#N ZINC000032012430 352734876 /nfs/dbraw/zinc/73/48/76/352734876.db2.gz CYRAKRUMEFDGJB-UHFFFAOYSA-N 0 0 210.664 2.674 10 30 BFEERN O=C1CCC=C1c1occc1Br ZINC000306186728 352989557 /nfs/dbraw/zinc/98/95/57/352989557.db2.gz KLKQBUFBEYELHC-UHFFFAOYSA-N 0 0 227.057 2.788 10 30 BFEERN N#C[C@@H](NC1CCCCC1)c1cccc(O)c1 ZINC000037969410 187941395 /nfs/dbraw/zinc/94/13/95/187941395.db2.gz YJGJHFKSPSSEJJ-CQSZACIVSA-N 0 0 230.311 2.879 10 30 BFEERN N#CCc1ccc(Oc2cncc(Cl)n2)cc1 ZINC000038082240 187943871 /nfs/dbraw/zinc/94/38/71/187943871.db2.gz DUXLYORBYAQDRZ-UHFFFAOYSA-N 0 0 245.669 2.988 10 30 BFEERN N#C[C@H](N)c1cc(Cl)sc1Cl ZINC000306221149 352996607 /nfs/dbraw/zinc/99/66/07/352996607.db2.gz VSZXPUPYYATKIO-BYPYZUCNSA-N 0 0 207.085 2.578 10 30 BFEERN N#CCCc1csc(C(F)(F)F)n1 ZINC000307266928 353064672 /nfs/dbraw/zinc/06/46/72/353064672.db2.gz HOUDLYMEEPVACY-UHFFFAOYSA-N 0 0 206.192 2.618 10 30 BFEERN CCOc1ccc(CC[C@@H](C)C=O)cc1 ZINC000045805693 187950925 /nfs/dbraw/zinc/95/09/25/187950925.db2.gz SANFDYKKEKXTTR-LLVKDONJSA-N 0 0 206.285 2.853 10 30 BFEERN N#CCc1ccc(F)c(F)c1C(F)F ZINC000307032724 353050930 /nfs/dbraw/zinc/05/09/30/353050930.db2.gz RWAJNSBMVOWRGZ-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN Cc1c(Br)c(C#N)ccc1[N+](=O)[O-] ZINC000307654116 353090381 /nfs/dbraw/zinc/09/03/81/353090381.db2.gz QQXZOHBQDQBOKA-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN C=CC(=O)Cc1c(C)cc(OC)c(C)c1C ZINC000033605175 188010701 /nfs/dbraw/zinc/01/07/01/188010701.db2.gz VEWGCBYSNCYBAQ-UHFFFAOYSA-N 0 0 218.296 2.918 10 30 BFEERN CC(C)=CC(=O)[C@@H]1CCc2cccnc21 ZINC000232559923 353129790 /nfs/dbraw/zinc/12/97/90/353129790.db2.gz HWMCTSNBXIKDLK-NSHDSACASA-N 0 0 201.269 2.647 10 30 BFEERN C=CCC(=O)Nc1ccc(C(=O)OCCC)cc1 ZINC000054401062 188048168 /nfs/dbraw/zinc/04/81/68/188048168.db2.gz GWVKTABGYKFQGW-UHFFFAOYSA-N 0 0 247.294 2.768 10 30 BFEERN C=C[C@@H]1[NH2+]CCc2c(Cl)c(F)ccc21 ZINC000075792685 188048222 /nfs/dbraw/zinc/04/82/22/188048222.db2.gz JPONDXVYDFODKC-JTQLQIEISA-N 0 0 211.667 2.852 10 30 BFEERN CC(C)COCCNc1ccc(C#N)cc1 ZINC000132307708 188048437 /nfs/dbraw/zinc/04/84/37/188048437.db2.gz NUXSUMJQVUKNEU-UHFFFAOYSA-N 0 0 218.300 2.643 10 30 BFEERN C=C[C@@H]1[NH2+]CCc2cc(F)cc(Cl)c21 ZINC000075737343 188048678 /nfs/dbraw/zinc/04/86/78/188048678.db2.gz MUOKYTSVJIZDIY-JTQLQIEISA-N 0 0 211.667 2.852 10 30 BFEERN N#Cc1ccc(Oc2cncc(Cl)n2)cc1F ZINC000134000603 188049615 /nfs/dbraw/zinc/04/96/15/188049615.db2.gz YNNSGBDIBIJIIB-UHFFFAOYSA-N 0 0 249.632 2.933 10 30 BFEERN CC(C)=CC(=O)CCCNC(=O)OC(C)(C)C ZINC000096675293 188051106 /nfs/dbraw/zinc/05/11/06/188051106.db2.gz NUZOUKPFMBCERR-UHFFFAOYSA-N 0 0 241.331 2.827 10 30 BFEERN C=C(Cl)CN(C)c1cccc(C#N)c1 ZINC000059191384 353146459 /nfs/dbraw/zinc/14/64/59/353146459.db2.gz QBLLKOWWWWUTDG-UHFFFAOYSA-N 0 0 206.676 2.747 10 30 BFEERN CC#CCN1CCCC[C@@H]1c1nccs1 ZINC000160008722 353252472 /nfs/dbraw/zinc/25/24/72/353252472.db2.gz OJOOZNGDWXXZDW-LLVKDONJSA-N 0 0 220.341 2.693 10 30 BFEERN COc1cccc(C#Cc2ccc(C)cn2)c1 ZINC000034874630 188233667 /nfs/dbraw/zinc/23/36/67/188233667.db2.gz CCQPQKFLWKYOMJ-UHFFFAOYSA-N 0 0 223.275 2.798 10 30 in-vitro BFEERN C=C1COC[C@H]1SCCc1ccccc1 ZINC000090734487 188271130 /nfs/dbraw/zinc/27/11/30/188271130.db2.gz IACIZOAWWUXWRQ-CYBMUJFWSA-N 0 0 220.337 2.917 10 30 BFEERN N#CCCCNc1ccc2c(c1)OCCCO2 ZINC000020043377 188282092 /nfs/dbraw/zinc/28/20/92/188282092.db2.gz KNIMIZMGMDXNFZ-UHFFFAOYSA-N 0 0 232.283 2.564 10 30 BFEERN N#Cc1cccc(COc2ccc(O)cc2)c1 ZINC000034962345 188284495 /nfs/dbraw/zinc/28/44/95/188284495.db2.gz FBPDPISPOTXGIJ-UHFFFAOYSA-N 0 0 225.247 2.843 10 30 BFEERN CCC(CC)C(=O)N[C@H](C#N)c1ccccc1 ZINC000040215236 188292160 /nfs/dbraw/zinc/29/21/60/188292160.db2.gz ORSYUHLNDAZQEY-CYBMUJFWSA-N 0 0 230.311 2.804 10 30 BFEERN CC(C)N(CCC#N)c1ccc(F)cc1C=O ZINC000042529222 188293843 /nfs/dbraw/zinc/29/38/43/188293843.db2.gz BFAUEGUYTLYYAA-UHFFFAOYSA-N 0 0 234.274 2.767 10 30 BFEERN CCC[C@H](C#N)C(=O)Nc1ccccc1C ZINC000044812302 188296147 /nfs/dbraw/zinc/29/61/47/188296147.db2.gz NNRVARQOFOYBGI-LLVKDONJSA-N 0 0 216.284 2.873 10 30 BFEERN CCC[C@H](C#N)C(=O)N(C)[C@H](C)CC(C)C ZINC000044826676 188296775 /nfs/dbraw/zinc/29/67/75/188296775.db2.gz ZTJBSZJBUAHCRB-VXGBXAGGSA-N 0 0 224.348 2.819 10 30 BFEERN CCC[C@@H](C#N)C(=O)N1CCCC[C@@H]1CC ZINC000044814902 188296797 /nfs/dbraw/zinc/29/67/97/188296797.db2.gz YHUCURNOYNKHDN-RYUDHWBXSA-N 0 0 222.332 2.717 10 30 BFEERN N#C[C@@]1(NCc2ccccc2)CCCSC1 ZINC000061590371 188302560 /nfs/dbraw/zinc/30/25/60/188302560.db2.gz RDKNVFUANRLQCG-ZDUSSCGKSA-N 0 0 232.352 2.566 10 30 BFEERN CC(C)C[C@@H](C)N(C)c1ccc(/C(N)=N/O)cc1 ZINC000058989571 188302742 /nfs/dbraw/zinc/30/27/42/188302742.db2.gz VGEHCGCTNVLPTN-LLVKDONJSA-N 0 0 249.358 2.652 10 30 BFEERN C=CCCNc1ncccc1Br ZINC000162013084 353303937 /nfs/dbraw/zinc/30/39/37/353303937.db2.gz RDBGBFRONYBIQS-UHFFFAOYSA-N 0 0 227.105 2.832 10 30 BFEERN C#CC(C)(C)Oc1ccc(Cl)cc1C=O ZINC000163063115 353336223 /nfs/dbraw/zinc/33/62/23/353336223.db2.gz DJOOSUCKHBOUGO-UHFFFAOYSA-N 0 0 222.671 2.943 10 30 BFEERN CCOc1cccc(C(=O)C[C@H](C)C#N)c1 ZINC000043368350 188324598 /nfs/dbraw/zinc/32/45/98/188324598.db2.gz OYJWKIRGOGYRJX-JTQLQIEISA-N 0 0 217.268 2.818 10 30 BFEERN CCC[C@H](C)N(C)C(=O)[C@H](C#N)CCC ZINC000044823318 188325982 /nfs/dbraw/zinc/32/59/82/188325982.db2.gz WSKHVZYIPBLDEW-QWRGUYRKSA-N 0 0 210.321 2.573 10 30 BFEERN N#CCCOc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000050470131 188327987 /nfs/dbraw/zinc/32/79/87/188327987.db2.gz BNZGRDLLHFJNSC-UHFFFAOYSA-N 0 0 226.619 2.541 10 30 BFEERN N#Cc1cnc2cc(Cl)cc(Cl)c2c1N ZINC000050842194 188328918 /nfs/dbraw/zinc/32/89/18/188328918.db2.gz UENAXVRDPMLOJC-UHFFFAOYSA-N 0 0 238.077 2.995 10 30 BFEERN C=CCN(C)c1ccc(Cl)cc1C#N ZINC000131362659 353367452 /nfs/dbraw/zinc/36/74/52/353367452.db2.gz KVHGJCJJJCWBSG-UHFFFAOYSA-N 0 0 206.676 2.834 10 30 BFEERN CC#C[C@@H]1[NH2+]CCc2c(Cl)cccc21 ZINC000083667454 188356967 /nfs/dbraw/zinc/35/69/67/188356967.db2.gz QRNVMXHWURDAMD-LBPRGKRZSA-N 0 0 205.688 2.550 10 30 BFEERN Cc1ccc([C@@H](C)NCCC#N)cc1C ZINC000020199963 188352143 /nfs/dbraw/zinc/35/21/43/188352143.db2.gz HXNRCWJGXQIGHB-GFCCVEGCSA-N 0 0 202.301 2.868 10 30 BFEERN C#CCNC(=O)N[C@@H]1CC[C@@H](C)c2ccccc21 ZINC000132841894 353389565 /nfs/dbraw/zinc/38/95/65/353389565.db2.gz QRAQZUHVCIZUHC-BXUZGUMPSA-N 0 0 242.322 2.557 10 30 BFEERN C=CCCCSCc1nnc(C2CC2)n1C ZINC000091030015 353399126 /nfs/dbraw/zinc/39/91/26/353399126.db2.gz GQFHAZUOVFMENN-UHFFFAOYSA-N 0 0 237.372 2.892 10 30 BFEERN Fc1ccc(/C=N/N2CCCCC2)c(F)c1 ZINC000003370499 180962010 /nfs/dbraw/zinc/96/20/10/180962010.db2.gz ROLMKFSXDVARIR-OQLLNIDSSA-N 0 0 224.254 2.785 10 30 BFEERN C=C(Cl)CNc1ccc(F)c(C#N)c1 ZINC000051636638 188399635 /nfs/dbraw/zinc/39/96/35/188399635.db2.gz SCVBCICEUCEXOO-UHFFFAOYSA-N 0 0 210.639 2.862 10 30 BFEERN N#C[C@]1(Br)CCCC12CCOCC2 ZINC000300965835 363230642 /nfs/dbraw/zinc/23/06/42/363230642.db2.gz REAOSVWDMVGOLF-SNVBAGLBSA-N 0 0 244.132 2.624 10 30 BFEERN C=C[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1F ZINC000091691929 188404231 /nfs/dbraw/zinc/40/42/31/188404231.db2.gz YIJCMBAEJUFXQB-QWHCGFSZSA-N 0 0 249.285 2.779 10 30 BFEERN CCC1(C(=O)N[C@H]2CCC[C@@H]2C#N)CCCC1 ZINC000094901780 353518118 /nfs/dbraw/zinc/51/81/18/353518118.db2.gz NNUAKTOKPUTRSW-NEPJUHHUSA-N 0 0 234.343 2.765 10 30 BFEERN CCC1(C(=O)N[C@H]2CCC[C@H]2C#N)CCCC1 ZINC000094901782 353518543 /nfs/dbraw/zinc/51/85/43/353518543.db2.gz NNUAKTOKPUTRSW-RYUDHWBXSA-N 0 0 234.343 2.765 10 30 BFEERN C=C[C@@](C)(CC)C(=O)N1CCS[C@@H](C)C1 ZINC000135020355 353525813 /nfs/dbraw/zinc/52/58/13/353525813.db2.gz VUOPTRNUDMCRRC-JQWIXIFHSA-N 0 0 227.373 2.553 10 30 BFEERN Fc1cccc(F)c1C=NNc1ccccn1 ZINC000005658405 181000481 /nfs/dbraw/zinc/00/04/81/181000481.db2.gz MREPABCFVPWLHL-LZYBPNLTSA-N 0 0 233.221 2.806 10 30 BFEERN CC#CCNc1ccc(Br)c(C)n1 ZINC000232454970 353722999 /nfs/dbraw/zinc/72/29/99/353722999.db2.gz KRCXTSYBIVIZAS-UHFFFAOYSA-N 0 0 239.116 2.588 10 30 BFEERN N#CC1(NC[C@H]2CCCO2)CCCCCCC1 ZINC000037940147 181030375 /nfs/dbraw/zinc/03/03/75/181030375.db2.gz FIUIPOLYXGQAQF-CYBMUJFWSA-N 0 0 236.359 2.762 10 30 BFEERN N#CC(F)(F)c1ccc(F)c(F)c1F ZINC000071619328 181027611 /nfs/dbraw/zinc/02/76/11/181027611.db2.gz SRTXZZKWLKQKMR-UHFFFAOYSA-N 0 0 207.101 2.719 10 30 BFEERN N#CCNc1c(F)cc(F)cc1Br ZINC000036963889 181043338 /nfs/dbraw/zinc/04/33/38/181043338.db2.gz PHYLCLNZMIOFJP-UHFFFAOYSA-N 0 0 247.042 2.663 10 30 BFEERN Cc1oc(C)c(C(=O)N[C@H]2CCC[C@H]2C#N)c1C ZINC000087199004 353988562 /nfs/dbraw/zinc/98/85/62/353988562.db2.gz ISHHWLBXMOIMHK-RYUDHWBXSA-N 0 0 246.310 2.627 10 30 BFEERN N#CC[C@H](NCc1cccnc1)c1ccccc1 ZINC000055016058 181046216 /nfs/dbraw/zinc/04/62/16/181046216.db2.gz MLZCCYAUAYJBRH-HNNXBMFYSA-N 0 0 237.306 2.826 10 30 BFEERN N#CCc1nc2c(s1)COc1ccccc1-2 ZINC000019513961 181049421 /nfs/dbraw/zinc/04/94/21/181049421.db2.gz BFZFJXKZHOUMBA-UHFFFAOYSA-N 0 0 228.276 2.769 10 30 BFEERN N#C[C@@H](C(=O)c1cccnc1)c1ccccc1 ZINC000005486111 181053986 /nfs/dbraw/zinc/05/39/86/181053986.db2.gz MRHMJGLJPOGNFH-CYBMUJFWSA-N 0 0 222.247 2.572 10 30 BFEERN N#C[C@@H](C(=O)c1ccoc1)c1ccccc1F ZINC000049671662 181054666 /nfs/dbraw/zinc/05/46/66/181054666.db2.gz WOZGDMZTESIRLG-LLVKDONJSA-N 0 0 229.210 2.909 10 30 BFEERN N#C[C@@H](N)CCSc1ccc2c(c1)CCC2 ZINC000062456277 181055589 /nfs/dbraw/zinc/05/55/89/181055589.db2.gz NFBPCQFORHACOY-LBPRGKRZSA-N 0 0 232.352 2.508 10 30 BFEERN N#C[C@@H](NC1CC1)c1c(F)cccc1Cl ZINC000020175223 181056415 /nfs/dbraw/zinc/05/64/15/181056415.db2.gz JLDQQUYIWZUAIP-SNVBAGLBSA-N 0 0 224.666 2.796 10 30 BFEERN N#CCc1ccc(NCCc2cccnc2)cc1 ZINC000063222458 181048606 /nfs/dbraw/zinc/04/86/06/181048606.db2.gz NNPDCOAQZMOTJC-UHFFFAOYSA-N 0 0 237.306 2.802 10 30 BFEERN N#C[C@H](Cc1ccccc1)c1ccccn1 ZINC000036437357 181063977 /nfs/dbraw/zinc/06/39/77/181063977.db2.gz GQCIYLLVYDSQOS-ZDUSSCGKSA-N 0 0 208.264 2.931 10 30 BFEERN N#C[C@H](N)CCSc1ccc(Cl)cc1 ZINC000062452754 181065236 /nfs/dbraw/zinc/06/52/36/181065236.db2.gz FTTCPXVUWREDPD-SECBINFHSA-N 0 0 226.732 2.673 10 30 BFEERN N#C[C@H](NC1CCCCC1)c1ccc(O)cc1 ZINC000037969417 181065763 /nfs/dbraw/zinc/06/57/63/181065763.db2.gz MMPBFWRJWGEVAQ-AWEZNQCLSA-N 0 0 230.311 2.879 10 30 BFEERN N#C[C@H](NC1CCCC1)[C@H]1CC=CCC1 ZINC000037968504 181066322 /nfs/dbraw/zinc/06/63/22/181066322.db2.gz QPTCCTUZZUNTFJ-AAEUAGOBSA-N 0 0 204.317 2.767 10 30 BFEERN N#C[C@H](c1cc(F)ccc1F)N1CCCC1 ZINC000037355557 181066706 /nfs/dbraw/zinc/06/67/06/181066706.db2.gz PBEBLWOENKDKJE-GFCCVEGCSA-N 0 0 222.238 2.625 10 30 BFEERN N#C[C@@H]1CCCCC[C@@H]1NCc1cccnc1 ZINC000054824560 181058405 /nfs/dbraw/zinc/05/84/05/181058405.db2.gz ZFTZAFRXTUPIQI-KBPBESRZSA-N 0 0 229.327 2.644 10 30 BFEERN N#C[C@@H]1CCCCC[C@@H]1N1CCSCC1 ZINC000037146691 181058590 /nfs/dbraw/zinc/05/85/90/181058590.db2.gz QZYUUSXAFLVFLD-RYUDHWBXSA-N 0 0 224.373 2.508 10 30 BFEERN N#C[C@@]1(Nc2ccccc2F)CCSC1 ZINC000037938849 181062486 /nfs/dbraw/zinc/06/24/86/181062486.db2.gz XIFLUKBGMWTYGF-NSHDSACASA-N 0 0 222.288 2.637 10 30 BFEERN N#Cc1c(N)[nH]cc1-c1ccc(Cl)s1 ZINC000082539720 181071572 /nfs/dbraw/zinc/07/15/72/181071572.db2.gz HODKIHHEOAYHFS-UHFFFAOYSA-N 0 0 223.688 2.850 10 30 BFEERN N#Cc1c(Br)ccc2cccnc21 ZINC000095929744 181072549 /nfs/dbraw/zinc/07/25/49/181072549.db2.gz ZVAABJPTGDHMFA-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(Cl)o1 ZINC000061891851 181068580 /nfs/dbraw/zinc/06/85/80/181068580.db2.gz JEBRMMUBEJZQJL-SCZZXKLOSA-N 0 0 224.691 2.715 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1cccc(F)c1 ZINC000054824654 181069254 /nfs/dbraw/zinc/06/92/54/181069254.db2.gz OSXQIJJGHJFTGB-YPMHNXCESA-N 0 0 218.275 2.608 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1ccccc1F ZINC000054824083 181070106 /nfs/dbraw/zinc/07/01/06/181070106.db2.gz OXAPNUKYHKKDKO-ZWNOBZJWSA-N 0 0 218.275 2.608 10 30 BFEERN N#Cc1cc(-c2ccccc2Cl)on1 ZINC000040175370 181081423 /nfs/dbraw/zinc/08/14/23/181081423.db2.gz PHQJBWDMBWQVGS-UHFFFAOYSA-N 0 0 204.616 2.867 10 30 BFEERN N#Cc1c(F)cccc1N[C@H]1CCCCC[C@@H]1O ZINC000037892740 181076401 /nfs/dbraw/zinc/07/64/01/181076401.db2.gz IZAHBJNOPQNIRY-KBPBESRZSA-N 0 0 248.301 2.803 10 30 BFEERN N#Cc1cc(-c2ccc(Cl)s2)[nH]c1N ZINC000071531456 181080949 /nfs/dbraw/zinc/08/09/49/181080949.db2.gz ULFYKKMMPWMSSY-UHFFFAOYSA-N 0 0 223.688 2.850 10 30 BFEERN N#Cc1cc(-c2cccc(Br)c2)[nH]n1 ZINC000076819521 181081135 /nfs/dbraw/zinc/08/11/35/181081135.db2.gz KEZXYFQTFHTOPM-UHFFFAOYSA-N 0 0 248.083 2.711 10 30 BFEERN N#Cc1ccc(-c2cccc(N)c2)s1 ZINC000050266914 181094896 /nfs/dbraw/zinc/09/48/96/181094896.db2.gz KGZSDDXZDJTJBM-UHFFFAOYSA-N 0 0 200.266 2.869 10 30 BFEERN N#Cc1cc(N)cnc1NC1CCCCCC1 ZINC000037759033 181089276 /nfs/dbraw/zinc/08/92/76/181089276.db2.gz YMUDRVCFWKFVGB-UHFFFAOYSA-N 0 0 230.315 2.670 10 30 BFEERN N#Cc1ccc(-c2ccnc(Cl)n2)s1 ZINC000085789028 181095970 /nfs/dbraw/zinc/09/59/70/181095970.db2.gz DELDVBROLQBKBY-UHFFFAOYSA-N 0 0 221.672 2.730 10 30 BFEERN N#Cc1cc(NCc2ncc[nH]2)ccc1Cl ZINC000049715021 181091627 /nfs/dbraw/zinc/09/16/27/181091627.db2.gz NKOHMADTQGTGJH-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN N#Cc1cc(O)cc(-c2ccc(O)c(F)c2)c1 ZINC000065341369 181091871 /nfs/dbraw/zinc/09/18/71/181091871.db2.gz DKJQCRNNZUTXKH-UHFFFAOYSA-N 0 0 229.210 2.776 10 30 BFEERN N#Cc1cc(O)ccc1OC1CCCCC1 ZINC000095723500 181091890 /nfs/dbraw/zinc/09/18/90/181091890.db2.gz XYVOGDCTGFDOSF-UHFFFAOYSA-N 0 0 217.268 2.975 10 30 BFEERN N#Cc1cc(O)cc(-c2ccc(O)cc2)c1 ZINC000065341295 181092005 /nfs/dbraw/zinc/09/20/05/181092005.db2.gz BJVCTHCKSIMSOZ-UHFFFAOYSA-N 0 0 211.220 2.636 10 30 BFEERN CC[C@H]1OCCC[C@@H]1C(=O)Nc1ncc(C)o1 ZINC000330302198 134001446 /nfs/dbraw/zinc/00/14/46/134001446.db2.gz JKDWJCXTGXDAOI-VHSXEESVSA-N 0 0 238.287 2.776 10 30 BFEERN N#Cc1cc2c(Br)cccn2c1 ZINC000261509053 181092884 /nfs/dbraw/zinc/09/28/84/181092884.db2.gz ZKWVARWKOFPFHQ-UHFFFAOYSA-N 0 0 221.057 2.573 10 30 BFEERN N#Cc1ccc(COc2cccc(N)c2)cc1 ZINC000019278751 181110924 /nfs/dbraw/zinc/11/09/24/181110924.db2.gz DOSLZCZLQSCQQY-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN N#Cc1ccc(F)c(COCC2CC2)c1 ZINC000019870797 181113165 /nfs/dbraw/zinc/11/31/65/181113165.db2.gz APOOFKOBQLLMTH-UHFFFAOYSA-N 0 0 205.232 2.624 10 30 BFEERN N#Cc1ccc(N(CCO)C2CCCCC2)cc1 ZINC000042525842 181113844 /nfs/dbraw/zinc/11/38/44/181113844.db2.gz OXUVEHDESZYXOS-UHFFFAOYSA-N 0 0 244.338 2.690 10 30 BFEERN N#Cc1ccc(N2C[C@@H]3CCCCC[C@@H]32)nc1 ZINC000374190183 181116287 /nfs/dbraw/zinc/11/62/87/181116287.db2.gz PFXGKLJJCXONAF-STQMWFEESA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1ccc(N2C[C@H]3CCCCC[C@H]32)nc1 ZINC000374190176 181117601 /nfs/dbraw/zinc/11/76/01/181117601.db2.gz PFXGKLJJCXONAF-CHWSQXEVSA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1ccc(NCc2ccc(O)cc2)cc1 ZINC000019950660 181123974 /nfs/dbraw/zinc/12/39/74/181123974.db2.gz ODVYETLITOSLII-UHFFFAOYSA-N 0 0 224.263 2.876 10 30 BFEERN N#Cc1ccc(NCc2ncc[nH]2)cc1Cl ZINC000049714822 181124995 /nfs/dbraw/zinc/12/49/95/181124995.db2.gz WEAGRFPXZSFXFG-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN N#Cc1ccc2cccc(Br)c2n1 ZINC000062616001 181133141 /nfs/dbraw/zinc/13/31/41/181133141.db2.gz UMPVHOSEFGINRS-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN N#Cc1cccc(C#N)c1-c1nc2ncccc2o1 ZINC000169316006 181134461 /nfs/dbraw/zinc/13/44/61/181134461.db2.gz ASNYJSJTVOMRTO-UHFFFAOYSA-N 0 0 246.229 2.633 10 30 BFEERN N#Cc1ccc([C@H](O)c2ccccc2)cc1 ZINC000095935488 181129966 /nfs/dbraw/zinc/12/99/66/181129966.db2.gz OWRXYWOWZYCGKX-CQSZACIVSA-N 0 0 209.248 2.640 10 30 BFEERN N#Cc1ccc([C@@H]2NC(c3ccccc3)=NO2)cc1 ZINC000003240701 181130431 /nfs/dbraw/zinc/13/04/31/181130431.db2.gz BJFXICTTWGARCG-OAHLLOKOSA-N 0 0 249.273 2.538 10 30 BFEERN CC1(C)CN(CC2(C#N)CCC2)CC(C)(C)O1 ZINC000334689715 354478404 /nfs/dbraw/zinc/47/84/04/354478404.db2.gz LMWOSQLXSXOLDJ-UHFFFAOYSA-N 0 0 236.359 2.570 10 30 BFEERN N#Cc1cccc(N2CC[C@H]3CCCC[C@H]32)n1 ZINC000228852098 181139376 /nfs/dbraw/zinc/13/93/76/181139376.db2.gz ZBORNHFIRCVLLC-DGCLKSJQSA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1cccc(C(=O)c2ccccc2)c1 ZINC000005849556 181136404 /nfs/dbraw/zinc/13/64/04/181136404.db2.gz ICRUXLLOLAPKFS-UHFFFAOYSA-N 0 0 207.232 2.789 10 30 BFEERN N#Cc1ccccc1COc1ccc(N)cc1 ZINC000009239368 181147397 /nfs/dbraw/zinc/14/73/97/181147397.db2.gz VXIUUDTXHOEGNW-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN N#Cc1ccccc1NCCc1ccco1 ZINC000037978355 181147960 /nfs/dbraw/zinc/14/79/60/181147960.db2.gz HNYGPOAJSNBABQ-UHFFFAOYSA-N 0 0 212.252 2.806 10 30 BFEERN N#Cc1ccccc1NCc1ccccn1 ZINC000015584421 181149265 /nfs/dbraw/zinc/14/92/65/181149265.db2.gz SNURWQZFTJJFQX-UHFFFAOYSA-N 0 0 209.252 2.565 10 30 BFEERN N#Cc1ccccc1Oc1ccc(CO)cc1F ZINC000020435246 181149974 /nfs/dbraw/zinc/14/99/74/181149974.db2.gz NBOBENKSLYCFOY-UHFFFAOYSA-N 0 0 243.237 2.982 10 30 BFEERN N#Cc1cccnc1OCc1ccccc1 ZINC000019514392 181153818 /nfs/dbraw/zinc/15/38/18/181153818.db2.gz HHNYDVRMLLZQMG-UHFFFAOYSA-N 0 0 210.236 2.532 10 30 BFEERN CC1(NC(=O)N[C@H]2CCC[C@@H]2C#N)CCCCC1 ZINC000335155267 354865622 /nfs/dbraw/zinc/86/56/22/354865622.db2.gz MLUCHTASROJSOT-NEPJUHHUSA-N 0 0 249.358 2.701 10 30 BFEERN N#Cc1cnncc1-c1cccn1-c1ccccc1 ZINC000090568286 181165467 /nfs/dbraw/zinc/16/54/67/181165467.db2.gz QCVHUOCQUJXMSH-UHFFFAOYSA-N 0 0 246.273 2.806 10 30 BFEERN N#Cc1csc(-c2ccccc2F)n1 ZINC000075899338 181165547 /nfs/dbraw/zinc/16/55/47/181165547.db2.gz GJGYFMRPDQAGDX-UHFFFAOYSA-N 0 0 204.229 2.821 10 30 BFEERN N#Cc1coc2ccc3ccccc3c2c1=O ZINC000036150129 181165742 /nfs/dbraw/zinc/16/57/42/181165742.db2.gz AMFVSXQJPVTYLC-UHFFFAOYSA-N 0 0 221.215 2.818 10 30 BFEERN N#Cc1nccc2c(F)c(F)c(F)cc12 ZINC000082766646 181170626 /nfs/dbraw/zinc/17/06/26/181170626.db2.gz CWISZAKHXMHZCF-UHFFFAOYSA-N 0 0 208.142 2.524 10 30 BFEERN N#Cc1csnc1-c1ccc(F)cc1 ZINC000095936293 181166689 /nfs/dbraw/zinc/16/66/89/181166689.db2.gz MLKBUIBIVYYGGS-UHFFFAOYSA-N 0 0 204.229 2.821 10 30 BFEERN N#Cc1nc(-c2cccs2)n2ccccc12 ZINC000020222706 181167602 /nfs/dbraw/zinc/16/76/02/181167602.db2.gz LXQJRBQVSGGFMJ-UHFFFAOYSA-N 0 0 225.276 2.934 10 30 BFEERN N#Cc1nc(N2C[C@H]3CCC[C@H]32)ccc1Cl ZINC000336340491 181168047 /nfs/dbraw/zinc/16/80/47/181168047.db2.gz DCFPSMSIICWFFT-LDYMZIIASA-N 0 0 233.702 2.595 10 30 BFEERN N#Cc1nccnc1-c1ccc(F)c(Cl)c1 ZINC000077367735 181172529 /nfs/dbraw/zinc/17/25/29/181172529.db2.gz JVLOENSHDVFODS-UHFFFAOYSA-N 0 0 233.633 2.808 10 30 BFEERN N#Cc1sc(-c2cccs2)cc1N ZINC000044273394 181177483 /nfs/dbraw/zinc/17/74/83/181177483.db2.gz CFWKUZRBASEXAO-UHFFFAOYSA-N 0 0 206.295 2.930 10 30 BFEERN N#Cc1nnn(-c2ccccc2)c1-c1ccccc1 ZINC000062263017 181177009 /nfs/dbraw/zinc/17/70/09/181177009.db2.gz LHNFFUPNKOZNJF-UHFFFAOYSA-N 0 0 246.273 2.806 10 30 BFEERN N/N=C1\C[C@H](c2ccccc2)Oc2ccccc21 ZINC000005955747 181185434 /nfs/dbraw/zinc/18/54/34/181185434.db2.gz LTYOJFOTFBGRPP-OVGFGYAMSA-N 0 0 238.290 2.873 10 30 BFEERN C[C@@H](C#N)Oc1cc(F)ccc1Br ZINC000160245226 355621392 /nfs/dbraw/zinc/62/13/92/355621392.db2.gz GSPNXTWWQCHYIF-LURJTMIESA-N 0 0 244.063 2.879 10 30 BFEERN N#Cc1cnc2c(Cl)cc(C(F)(F)F)cn12 ZINC000675073138 538505021 /nfs/dbraw/zinc/50/50/21/538505021.db2.gz LSPNXPFQMXZBJO-UHFFFAOYSA-N 0 0 245.591 2.878 10 30 BFEERN FC(F)(F)c1ccc(C#Cc2cn[nH]c2)cc1 ZINC000675075958 538510110 /nfs/dbraw/zinc/51/01/10/538510110.db2.gz HHWIGKYSDOXMJU-UHFFFAOYSA-N 0 0 236.196 2.828 10 30 BFEERN Nc1ccc(C#CC(F)(F)F)cc1Cl ZINC000675078867 538517085 /nfs/dbraw/zinc/51/70/85/538517085.db2.gz MCONLDWNFSHGRX-UHFFFAOYSA-N 0 0 219.593 2.836 10 30 BFEERN CCOC(=O)[C@H]1O[C@@]12CCCC(C)(C)CC2 ZINC000084324457 538530716 /nfs/dbraw/zinc/53/07/16/538530716.db2.gz SQCPGUVKWXEYHH-ZWNOBZJWSA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@@]1(C(C)C)OC12CCC(C)CC2 ZINC000086182669 538551455 /nfs/dbraw/zinc/55/14/55/538551455.db2.gz PWQCJZVJBRGEFT-KGPNIALWSA-N 0 0 226.316 2.533 10 30 BFEERN CCCC1(CCC)O[C@@]1(C(=O)OC)C(C)C ZINC000086182658 538552067 /nfs/dbraw/zinc/55/20/67/538552067.db2.gz SUAPLMUWJWFMCM-CYBMUJFWSA-N 0 0 228.332 2.923 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@]12CCC(C)(C)C2 ZINC000087770716 538569236 /nfs/dbraw/zinc/56/92/36/538569236.db2.gz PBDIIRGDFCRJND-STQMWFEESA-N 0 0 226.316 2.533 10 30 BFEERN Cc1cc(C#N)cc(C)c1Oc1ccc(N)cn1 ZINC000088153518 538572137 /nfs/dbraw/zinc/57/21/37/538572137.db2.gz QNUDYQFOMGICDC-UHFFFAOYSA-N 0 0 239.278 2.945 10 30 BFEERN CN(C)c1ccc(C#N)c2c1CCCC2 ZINC000223684549 357005450 /nfs/dbraw/zinc/00/54/50/357005450.db2.gz HJXOILHYYCLZRU-UHFFFAOYSA-N 0 0 200.285 2.503 10 30 BFEERN C#CC(=O)c1ccc(Br)c(Cl)c1 ZINC000168761779 357220122 /nfs/dbraw/zinc/22/01/22/357220122.db2.gz NIIPNDOOMHKEJQ-UHFFFAOYSA-N 0 0 243.487 2.918 10 30 BFEERN N#Cc1ncccc1-n1cc(-c2ccccc2)cn1 ZINC000130095667 357287131 /nfs/dbraw/zinc/28/71/31/357287131.db2.gz ROOHZUXSEKMCHN-UHFFFAOYSA-N 0 0 246.273 2.806 10 30 BFEERN Cc1ccc(F)c(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000230686492 357549852 /nfs/dbraw/zinc/54/98/52/357549852.db2.gz HXBBHGMJVBMPGB-BXUZGUMPSA-N 0 0 232.302 2.916 10 30 BFEERN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)c(C)s1 ZINC000610495635 357956215 /nfs/dbraw/zinc/95/62/15/357956215.db2.gz BWKCPYCQCULURJ-PWSUYJOCSA-N 0 0 248.351 2.787 10 30 BFEERN C=CC(=O)c1ccc(F)cc1Br ZINC000168977731 358002530 /nfs/dbraw/zinc/00/25/30/358002530.db2.gz SWLCKULWWFQRQL-UHFFFAOYSA-N 0 0 229.048 2.957 10 30 BFEERN N/N=C(\c1ccccc1)c1nccc2ccccc21 ZINC000035576083 358004127 /nfs/dbraw/zinc/00/41/27/358004127.db2.gz YMEZDAASNGLDIT-XDJHFCHBSA-N 0 0 247.301 2.946 10 30 BFEERN N#Cc1cc2ccnc(Cl)c2cc1F ZINC000584641181 358126896 /nfs/dbraw/zinc/12/68/96/358126896.db2.gz UCIZCKAQKDDCQS-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN CCN(CCC#N)c1ccc(Cl)cc1C#N ZINC000052856476 169816785 /nfs/dbraw/zinc/81/67/85/169816785.db2.gz TVDRCZZIVHAQFR-UHFFFAOYSA-N 0 0 233.702 2.952 10 30 BFEERN O[C@@H](C#CC1CC1)c1ccc(Cl)cc1 ZINC000584613368 358277330 /nfs/dbraw/zinc/27/73/30/358277330.db2.gz LUYGIIYLIDZSPV-LBPRGKRZSA-N 0 0 206.672 2.787 10 30 BFEERN C=CCOC1(OCC=C)C[C@H]1C(=C)Cl ZINC000584614173 358279043 /nfs/dbraw/zinc/27/90/43/358279043.db2.gz YVYOSXIADMXOMU-JTQLQIEISA-N 0 0 214.692 2.860 10 30 BFEERN Nc1c(F)cc(C#Cc2ccccc2)cc1F ZINC000584591892 358250536 /nfs/dbraw/zinc/25/05/36/358250536.db2.gz PETMBWWTPCEEAJ-UHFFFAOYSA-N 0 0 229.229 2.947 10 30 BFEERN CCC[C@](C#N)(CCO)c1cccc(OC)c1 ZINC000584594702 358252241 /nfs/dbraw/zinc/25/22/41/358252241.db2.gz VPPLICSPJHAIEY-CQSZACIVSA-N 0 0 233.311 2.639 10 30 BFEERN CC[C@@H](C)c1ccc(OC[C@H](O)CC#N)cc1 ZINC000584600323 358256989 /nfs/dbraw/zinc/25/69/89/358256989.db2.gz XQIKCARYVPZESJ-DGCLKSJQSA-N 0 0 233.311 2.853 10 30 BFEERN CC(=N[C@@H](C)COc1cccc(C)c1C)NC#N ZINC000584601627 358258740 /nfs/dbraw/zinc/25/87/40/358258740.db2.gz FPOCNBKBIFQZCF-NSHDSACASA-N 0 0 245.326 2.560 10 30 BFEERN COc1ccc(CC[C@@H](C)N=C(C)NC#N)cc1 ZINC000584601878 358259598 /nfs/dbraw/zinc/25/95/98/358259598.db2.gz QTNRERJCJBNPOK-LLVKDONJSA-N 0 0 245.326 2.505 10 30 BFEERN CC(=O)N1c2ccc(Cl)cc2C[C@@H]1CC#N ZINC000584607546 358267718 /nfs/dbraw/zinc/26/77/18/358267718.db2.gz NYMNLKVQADIBSJ-NSHDSACASA-N 0 0 234.686 2.531 10 30 BFEERN C=CC[C@@](C)(CC)N[S@](=O)C(C)(C)C ZINC000584608975 358269989 /nfs/dbraw/zinc/26/99/89/358269989.db2.gz NNHYLPYISQIDKK-BXUZGUMPSA-N 0 0 217.378 2.783 10 30 BFEERN COc1cc(C#C/C=C/Cl)cc(OC)c1 ZINC000584609360 358270509 /nfs/dbraw/zinc/27/05/09/358270509.db2.gz JSDQYMXFXMNHEF-GQCTYLIASA-N 0 0 222.671 2.808 10 30 BFEERN C#CCCCC[S@](=O)c1ccccc1 ZINC000584610410 358273229 /nfs/dbraw/zinc/27/32/29/358273229.db2.gz YVXSGISZIMZCGM-AWEZNQCLSA-N 0 0 206.310 2.598 10 30 BFEERN O=C1CCSC/C1=C\c1cccs1 ZINC000584611087 358274845 /nfs/dbraw/zinc/27/48/45/358274845.db2.gz FNIKEXFXAGMMBU-SOFGYWHQSA-N 0 0 210.323 2.838 10 30 BFEERN CCOP(=O)(OCC)O[C@@](C)(C#N)CC ZINC000584624644 358293116 /nfs/dbraw/zinc/29/31/16/358293116.db2.gz AXWKSRLTVCTTAV-SECBINFHSA-N 0 0 235.220 2.876 10 30 BFEERN COC(=O)CCCCCCc1cccnc1C#N ZINC000584652536 358307807 /nfs/dbraw/zinc/30/78/07/358307807.db2.gz XXAGPBHJDAQGSV-UHFFFAOYSA-N 0 0 246.310 2.619 10 30 BFEERN N#CC1=NNN[C@@H]1c1ccc2ccccc2c1 ZINC000584617042 358281426 /nfs/dbraw/zinc/28/14/26/358281426.db2.gz CEXNWSQPDVQPHQ-QWHCGFSZSA-N 0 0 222.251 2.743 10 30 BFEERN N#CC1=NNN[C@H]1c1ccc2ccccc2c1 ZINC000584617041 358281566 /nfs/dbraw/zinc/28/15/66/358281566.db2.gz CEXNWSQPDVQPHQ-OLZOCXBDSA-N 0 0 222.251 2.743 10 30 BFEERN N#CC[C@H]1OC(=O)c2c1cccc2C(F)(F)F ZINC000584631285 358282670 /nfs/dbraw/zinc/28/26/70/358282670.db2.gz KIEXSFHUSQTGPG-MRVPVSSYSA-N 0 0 241.168 2.831 10 30 BFEERN C=C[C@](C)(SC(=O)NC)c1ccccn1 ZINC000584646878 358331574 /nfs/dbraw/zinc/33/15/74/358331574.db2.gz VSAKVPWBWIGBMU-NSHDSACASA-N 0 0 222.313 2.555 10 30 BFEERN C=CCc1cc(Cl)ccc1N(C#N)C(C)=O ZINC000584646773 358331740 /nfs/dbraw/zinc/33/17/40/358331740.db2.gz BOVIUQKYUZJQFP-UHFFFAOYSA-N 0 0 234.686 2.902 10 30 BFEERN C=CCSc1ccc(N(CC)CC)nn1 ZINC000584632518 358315554 /nfs/dbraw/zinc/31/55/54/358315554.db2.gz WAGUNZRELYJORK-UHFFFAOYSA-N 0 0 223.345 2.601 10 30 BFEERN CCC[C@H](O)C#CCCCCCCC(=O)OC ZINC000584640622 358326772 /nfs/dbraw/zinc/32/67/72/358326772.db2.gz IRZAXKOSDFNVBA-ZDUSSCGKSA-N 0 0 240.343 2.664 10 30 BFEERN CCCCCCCCC[C@H]1OC(=O)[C@@H]2O[C@@H]21 ZINC000043910400 358346102 /nfs/dbraw/zinc/34/61/02/358346102.db2.gz BQQLDDMYCVQUFR-IJLUTSLNSA-N 0 0 226.316 2.820 10 30 BFEERN C=CCc1ccccc1O[C@H](C)C(=O)OCC ZINC000043638234 358384356 /nfs/dbraw/zinc/38/43/56/358384356.db2.gz ZVAZUWDKCRQDDM-LLVKDONJSA-N 0 0 234.295 2.746 10 30 BFEERN COc1cc(OC)cc(C2(C=O)CCCC2)c1 ZINC000107087140 363609525 /nfs/dbraw/zinc/60/95/25/363609525.db2.gz ODDXNFVRDOKBDC-UHFFFAOYSA-N 0 0 234.295 2.715 10 30 BFEERN C#C[C@@H](NC)c1ccc(C)cc1Br ZINC000130138853 358435061 /nfs/dbraw/zinc/43/50/61/358435061.db2.gz VCQKXWZOVBIUEQ-LLVKDONJSA-N 0 0 238.128 2.651 10 30 BFEERN C[C@@H](C#N)N1CCC(Cc2ccccc2)CC1 ZINC000047915472 358607558 /nfs/dbraw/zinc/60/75/58/358607558.db2.gz DFCBCYCKPBXNNE-ZDUSSCGKSA-N 0 0 228.339 2.853 10 30 BFEERN CSc1cccc(NCCF)c1C#N ZINC000306160213 358957571 /nfs/dbraw/zinc/95/75/71/358957571.db2.gz ORPZKLKNLLHVEB-UHFFFAOYSA-N 0 0 210.277 2.662 10 30 BFEERN C[C@@H]1CC[C@H](C[C@]2(C#N)CCCS2)O1 ZINC000299994931 359016889 /nfs/dbraw/zinc/01/68/89/359016889.db2.gz KKUYVHIWXHAMFL-MXWKQRLJSA-N 0 0 211.330 2.733 10 30 BFEERN CO[C@@H](C=O)c1ccc(Br)cc1C ZINC000306216655 359330394 /nfs/dbraw/zinc/33/03/94/359330394.db2.gz PXKMCXGQVMBUGG-JTQLQIEISA-N 0 0 243.100 2.644 10 30 BFEERN N#C[C@@H]1CC[C@H](Nc2ncc(Cl)s2)C1 ZINC000306219080 359336903 /nfs/dbraw/zinc/33/69/03/359336903.db2.gz MERJOMVOVGEXQH-RQJHMYQMSA-N 0 0 227.720 2.901 10 30 BFEERN CCN(C)C=Nc1nc2ccccc2s1 ZINC000255964952 359337019 /nfs/dbraw/zinc/33/70/19/359337019.db2.gz BNMVZWKLQLVDPQ-UHFFFAOYSA-N 0 0 219.313 2.908 10 30 BFEERN CC(C)(C)c1nsc(C(C)(C)C#N)n1 ZINC000306248077 359434802 /nfs/dbraw/zinc/43/48/02/359434802.db2.gz WVRDCTGHWISGDK-UHFFFAOYSA-N 0 0 209.318 2.637 10 30 BFEERN C[C@@H]1CC(=O)C=C(CC[C@H]2CCCO2)C1 ZINC000306234611 359392025 /nfs/dbraw/zinc/39/20/25/359392025.db2.gz JUCLPVNTVGYTMK-GXFFZTMASA-N 0 0 208.301 2.871 10 30 BFEERN C[C@H]1CC(=O)C=C(CC[C@H]2CCCO2)C1 ZINC000306234613 359392071 /nfs/dbraw/zinc/39/20/71/359392071.db2.gz JUCLPVNTVGYTMK-ZWNOBZJWSA-N 0 0 208.301 2.871 10 30 BFEERN CC#CCCC(=O)c1ncc(C)cc1C ZINC000160962172 359591960 /nfs/dbraw/zinc/59/19/60/359591960.db2.gz DEMVCQXKRLASRF-UHFFFAOYSA-N 0 0 201.269 2.685 10 30 BFEERN C=C[C@@H](C)Nc1nc(C)ncc1Br ZINC000306322853 359608083 /nfs/dbraw/zinc/60/80/83/359608083.db2.gz MDUIRDXCCHVANS-ZCFIWIBFSA-N 0 0 242.120 2.534 10 30 BFEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)sc1C ZINC000087567112 359917774 /nfs/dbraw/zinc/91/77/74/359917774.db2.gz NHEHTDPCTAQKAT-WDEREUQCSA-N 0 0 248.351 2.787 10 30 BFEERN CC#C[C@@H](O)c1ccc(C)c(Br)c1 ZINC000306483248 360152193 /nfs/dbraw/zinc/15/21/93/360152193.db2.gz MKDQTPBPNCWGOH-LLVKDONJSA-N 0 0 239.112 2.814 10 30 BFEERN Cc1cnc(N[C@H]2CC[C@H](C#N)C2)s1 ZINC000306532076 360391179 /nfs/dbraw/zinc/39/11/79/360391179.db2.gz GJEXOWNXDAQMKN-IUCAKERBSA-N 0 0 207.302 2.556 10 30 BFEERN C=C(C)[C@@H](O)c1coc(Br)c1 ZINC000306532061 360391524 /nfs/dbraw/zinc/39/15/24/360391524.db2.gz GINOTOPJUFXYKU-MRVPVSSYSA-N 0 0 217.062 2.652 10 30 BFEERN C[Si](C)(C)CNc1ccc(C#N)cc1 ZINC000306536312 360395758 /nfs/dbraw/zinc/39/57/58/360395758.db2.gz HHFLFBZWJNIIKR-UHFFFAOYSA-N 0 0 204.349 2.848 10 30 BFEERN C=C(Cl)CNc1nc(C)c(C)nc1C ZINC000306564175 360442934 /nfs/dbraw/zinc/44/29/34/360442934.db2.gz DSAPKXHTNPDWDQ-UHFFFAOYSA-N 0 0 211.696 2.566 10 30 BFEERN Fc1ccc(C[C@H]2CO2)cc1C(F)(F)F ZINC000228477281 360410561 /nfs/dbraw/zinc/41/05/61/360410561.db2.gz WPBCSHOEXNGANB-ZETCQYMHSA-N 0 0 220.165 2.786 10 30 BFEERN CC[C@@H]1CC[C@](C#N)(c2nncs2)C1 ZINC000306545191 360414275 /nfs/dbraw/zinc/41/42/75/360414275.db2.gz APDKUZQMJHTQKZ-SCZZXKLOSA-N 0 0 207.302 2.510 10 30 BFEERN CC#CCNc1ccc(SC)c(F)c1 ZINC000306545798 360414378 /nfs/dbraw/zinc/41/43/78/360414378.db2.gz WBJUCUNYAWQHGF-UHFFFAOYSA-N 0 0 209.289 2.983 10 30 BFEERN CC(C)(C)C#CC[C@H](O)c1cscn1 ZINC000300734562 360423625 /nfs/dbraw/zinc/42/36/25/360423625.db2.gz GUTWFTRLSQCMPK-JTQLQIEISA-N 0 0 209.314 2.616 10 30 BFEERN C=C[C@H](C)n1cc(C)c(=O)c(Br)c1 ZINC000306557712 360430321 /nfs/dbraw/zinc/43/03/21/360430321.db2.gz NJPSIJBRDBVIII-QMMMGPOBSA-N 0 0 242.116 2.666 10 30 BFEERN C#C[C@@](C)(CC)n1c(C)cc(C=O)c1C ZINC000306587622 360492516 /nfs/dbraw/zinc/49/25/16/360492516.db2.gz VDWLVQNBJCTYBQ-ZDUSSCGKSA-N 0 0 203.285 2.676 10 30 BFEERN O=C(C=C1CCCCC1)C[C@H]1CCOC1 ZINC000306589678 360495354 /nfs/dbraw/zinc/49/53/54/360495354.db2.gz UOKRHQOPKCLUBW-GFCCVEGCSA-N 0 0 208.301 2.873 10 30 BFEERN Cc1c(Cl)cc([N+](=O)[O-])cc1CC#N ZINC000306600418 360520954 /nfs/dbraw/zinc/52/09/54/360520954.db2.gz IWRZDXURFNUDAH-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN Cc1cc(NC(=O)OC(C)(C)C)ncc1C#N ZINC000306594732 360512831 /nfs/dbraw/zinc/51/28/31/360512831.db2.gz SORHLXKACMQAQK-UHFFFAOYSA-N 0 0 233.271 2.609 10 30 BFEERN C[C@]1(c2ccccc2F)CC(=O)C=CO1 ZINC000069852473 360722807 /nfs/dbraw/zinc/72/28/07/360722807.db2.gz CBZSMELHBLLPLS-GFCCVEGCSA-N 0 0 206.216 2.544 10 30 BFEERN Cc1cc(C)cc([C@@H]2CC(=O)C=CO2)c1 ZINC000069850374 360701985 /nfs/dbraw/zinc/70/19/85/360701985.db2.gz UBPLJIFBQJCXCC-ZDUSSCGKSA-N 0 0 202.253 2.848 10 30 BFEERN Cc1ccc([C@H]2CC(=O)C=CO2)cc1C ZINC000069850487 360702851 /nfs/dbraw/zinc/70/28/51/360702851.db2.gz HAQBMCAPORGKSU-CYBMUJFWSA-N 0 0 202.253 2.848 10 30 BFEERN C[C@@H](c1ccccc1)[C@H]1CC(=O)C=CO1 ZINC000069850472 360702876 /nfs/dbraw/zinc/70/28/76/360702876.db2.gz MTYLITONYWLKLQ-GXFFZTMASA-N 0 0 202.253 2.662 10 30 BFEERN O=C1C=CO[C@@H](c2ccc(Br)o2)C1 ZINC000069850438 360702907 /nfs/dbraw/zinc/70/29/07/360702907.db2.gz CCJPCOGANSSUNA-MRVPVSSYSA-N 0 0 243.056 2.586 10 30 BFEERN O=C1C=CO[C@H](c2ccc(Cl)s2)C1 ZINC000069850484 360702949 /nfs/dbraw/zinc/70/29/49/360702949.db2.gz NQPOGEORESUYAI-ZETCQYMHSA-N 0 0 214.673 2.946 10 30 BFEERN CCc1cc(C#N)cc(Cl)c1C(=O)OC ZINC000238312356 360856789 /nfs/dbraw/zinc/85/67/89/360856789.db2.gz TUVVDLHDQQNTAH-UHFFFAOYSA-N 0 0 223.659 2.561 10 30 BFEERN CCc1cc(C#N)c(Cl)cc1C(=O)OC ZINC000238312090 360863167 /nfs/dbraw/zinc/86/31/67/360863167.db2.gz BENSAVCZDQEQAI-UHFFFAOYSA-N 0 0 223.659 2.561 10 30 BFEERN CCc1cc(C(=O)OC)c(Cl)cc1C#N ZINC000238314373 360860112 /nfs/dbraw/zinc/86/01/12/360860112.db2.gz KXUCLWMWQKYURX-UHFFFAOYSA-N 0 0 223.659 2.561 10 30 BFEERN O=CCC(=O)c1ccc(F)c(Cl)c1 ZINC000138655538 361069181 /nfs/dbraw/zinc/06/91/81/361069181.db2.gz VZGQFMGWHGOJAY-ARJAWSKDSA-N 0 0 200.596 2.734 10 30 BFEERN N#Cc1cccc(Br)c1OC(F)F ZINC000238523835 361139435 /nfs/dbraw/zinc/13/94/35/361139435.db2.gz MSGXXERSQZLAGE-UHFFFAOYSA-N 0 0 248.026 2.922 10 30 BFEERN N#CCc1ccnc(Cl)c1OC(F)(F)F ZINC000238522070 361139441 /nfs/dbraw/zinc/13/94/41/361139441.db2.gz NAOXLSXMLRBNMC-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN Cc1cc(C(=O)[C@@H](C#N)C(C)C)c(C)o1 ZINC000041045653 361182416 /nfs/dbraw/zinc/18/24/16/361182416.db2.gz WDLSHKGAZGGVQN-NSHDSACASA-N 0 0 205.257 2.875 10 30 BFEERN Cc1ccc(C(=O)[C@@H](C#N)C(C)C)cc1 ZINC000041045681 361182723 /nfs/dbraw/zinc/18/27/23/361182723.db2.gz LQSKYWFLNPVRKF-LBPRGKRZSA-N 0 0 201.269 2.974 10 30 BFEERN Cc1ccc([C@@H]2CCC[C@@H](C=O)O2)cc1 ZINC000306638937 361583950 /nfs/dbraw/zinc/58/39/50/361583950.db2.gz CEDOIZLBOLGDFM-STQMWFEESA-N 0 0 204.269 2.804 10 30 BFEERN C[C@H](C#N)Nc1cc(F)cc(Br)c1 ZINC000306638604 361586123 /nfs/dbraw/zinc/58/61/23/361586123.db2.gz NJPAUEXDKKJTAF-ZCFIWIBFSA-N 0 0 243.079 2.912 10 30 BFEERN Cc1ccc([C@H]2CCC[C@H](C=O)O2)cc1 ZINC000306638905 361587452 /nfs/dbraw/zinc/58/74/52/361587452.db2.gz CEDOIZLBOLGDFM-CHWSQXEVSA-N 0 0 204.269 2.804 10 30 BFEERN C[C@@H](O)c1ccc(S[C@H](C)C#N)cc1 ZINC000070621267 361649652 /nfs/dbraw/zinc/64/96/52/361649652.db2.gz SZKCBNGUJMCFJL-RKDXNWHRSA-N 0 0 207.298 2.744 10 30 BFEERN C[C@H](Nc1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000037412628 364013299 /nfs/dbraw/zinc/01/32/99/364013299.db2.gz VNZAKPQCRLZYIA-ZANVPECISA-N 0 0 234.274 2.677 10 30 BFEERN CCOC(=O)c1cccc(C(C)(C)C#N)c1 ZINC000115985933 370721828 /nfs/dbraw/zinc/72/18/28/370721828.db2.gz ZXGFTYIAZHFBJH-UHFFFAOYSA-N 0 0 217.268 2.664 10 30 BFEERN CC[C@@H](Nc1cccc(C#N)n1)C(C)C ZINC000080118292 370728596 /nfs/dbraw/zinc/72/85/96/370728596.db2.gz MKOLYQOMAYXEJW-LLVKDONJSA-N 0 0 203.289 2.800 10 30 BFEERN C=C(Br)CNc1ccccc1C#N ZINC000037681056 364517074 /nfs/dbraw/zinc/51/70/74/364517074.db2.gz BMYWVACACOLVPJ-UHFFFAOYSA-N 0 0 237.100 2.879 10 30 BFEERN CCOC(=O)[C@@]1(CC)OC12CC(C(C)C)C2 ZINC000233697908 541509490 /nfs/dbraw/zinc/50/94/90/541509490.db2.gz PFWPQTMWXLCBHC-KGPNIALWSA-N 0 0 226.316 2.533 10 30 BFEERN Cc1ccc(O)c(C#CC(F)(F)F)c1 ZINC000059085757 541517226 /nfs/dbraw/zinc/51/72/26/541517226.db2.gz XQRDFZWYHQKNNP-UHFFFAOYSA-N 0 0 200.159 2.614 10 30 BFEERN C=C(Br)CNN1[C@H](C)CCC[C@H]1C ZINC000215068281 368302747 /nfs/dbraw/zinc/30/27/47/368302747.db2.gz XLNDQRDUICYBKS-NXEZZACHSA-N 0 0 247.180 2.663 10 30 BFEERN C#CCCc1cc2cc(C(=O)OC)ccc2o1 ZINC000102254219 368339755 /nfs/dbraw/zinc/33/97/55/368339755.db2.gz JMPYAHKNDAUJDO-UHFFFAOYSA-N 0 0 228.247 2.785 10 30 BFEERN COc1ccccc1C1([C@@H]2CO2)CCC1 ZINC000138500215 368347262 /nfs/dbraw/zinc/34/72/62/368347262.db2.gz QRDMMUHFPOFPHG-LBPRGKRZSA-N 0 0 204.269 2.516 10 30 BFEERN C#C[C@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000226066017 368418459 /nfs/dbraw/zinc/41/84/59/368418459.db2.gz LPRJMEKYEATMBZ-NSHDSACASA-N 0 0 223.316 2.657 10 30 BFEERN O=C(C#Cc1cccs1)c1ccccc1 ZINC000000015667 368475127 /nfs/dbraw/zinc/47/51/27/368475127.db2.gz JDOZKLLCRGXYBX-UHFFFAOYSA-N 0 0 212.273 2.983 10 30 BFEERN COc1cc(C)c(/C=N/C(C)(C)C)cn1 ZINC000114160043 368927028 /nfs/dbraw/zinc/92/70/28/368927028.db2.gz ZKFVVOWMRZUKTO-RIYZIHGNSA-N 0 0 206.289 2.616 10 30 BFEERN CCc1ccsc1CNc1ccc(C#N)nn1 ZINC000301946392 369384083 /nfs/dbraw/zinc/38/40/83/369384083.db2.gz HCMOOVGMJNJTIK-UHFFFAOYSA-N 0 0 244.323 2.584 10 30 BFEERN N#Cc1c(-c2ccccn2)n[nH]c1C1CCC1 ZINC000409442017 369977867 /nfs/dbraw/zinc/97/78/67/369977867.db2.gz WCOKCPRNFRTZKX-UHFFFAOYSA-N 0 0 224.267 2.611 10 30 BFEERN N#Cc1cc(-c2cccs2)nn1C(F)F ZINC000409442976 369978237 /nfs/dbraw/zinc/97/82/37/369978237.db2.gz FAICCFWXAJNHQL-UHFFFAOYSA-N 0 0 225.223 2.878 10 30 BFEERN CC(C)c1[nH]nc(-c2ccoc2)c1C#N ZINC000409441597 369979788 /nfs/dbraw/zinc/97/97/88/369979788.db2.gz RYVIZKGQPPXQDE-UHFFFAOYSA-N 0 0 201.229 2.665 10 30 BFEERN CCc1nc(C#N)cc(N[C@@H](CC)C(C)C)n1 ZINC000308162778 370105090 /nfs/dbraw/zinc/10/50/90/370105090.db2.gz AEJKJEJRGHXIFG-NSHDSACASA-N 0 0 232.331 2.757 10 30 BFEERN C[C@H](C#N)NC(=O)c1cc2ccc(F)cc2s1 ZINC000111325081 370132757 /nfs/dbraw/zinc/13/27/57/370132757.db2.gz KXCRTFPXGGYETF-SSDOTTSWSA-N 0 0 248.282 2.682 10 30 BFEERN Cc1nc(C)c(CN[C@H]2CCCC[C@H]2C#N)s1 ZINC000310374034 370341309 /nfs/dbraw/zinc/34/13/09/370341309.db2.gz YTFSEAXFHAZURY-RYUDHWBXSA-N 0 0 249.383 2.932 10 30 BFEERN Cc1nc(C)c(CN[C@@H]2CCCC[C@@H]2C#N)s1 ZINC000310374035 370342038 /nfs/dbraw/zinc/34/20/38/370342038.db2.gz YTFSEAXFHAZURY-VXGBXAGGSA-N 0 0 249.383 2.932 10 30 BFEERN CCC1CCC(Nc2ccnc(C#N)n2)CC1 ZINC000310474900 370348347 /nfs/dbraw/zinc/34/83/47/370348347.db2.gz BOMLISYCFMSZMU-UHFFFAOYSA-N 0 0 230.315 2.729 10 30 BFEERN N#Cc1cc(F)c(F)cc1C(F)(F)F ZINC000002382340 370410738 /nfs/dbraw/zinc/41/07/38/370410738.db2.gz PVSHZHWMOZSCRS-UHFFFAOYSA-N 0 0 207.101 2.855 10 30 BFEERN C=CCOc1cc(N)ccc1-n1cnc(Cl)c1 ZINC000113657067 370450128 /nfs/dbraw/zinc/45/01/28/370450128.db2.gz XCLRFOQSEKYDGH-UHFFFAOYSA-N 0 0 249.701 2.673 10 30 BFEERN Cc1ccccc1/[N+]([O-])=C/c1ccncc1 ZINC000225389018 370475557 /nfs/dbraw/zinc/47/55/57/370475557.db2.gz PXUDTSOILZQYAR-GDNBJRDFSA-N 0 0 213.260 2.542 10 30 BFEERN C=CCCCCCN(C)C(=O)N[C@H]1C[C@@H]1C ZINC000154114086 371081399 /nfs/dbraw/zinc/08/13/99/371081399.db2.gz JSVHVHIKGAQGNB-RYUDHWBXSA-N 0 0 224.348 2.783 10 30 BFEERN CCCCN(CC)C(=O)[C@H](C#N)c1ccccc1 ZINC000061614073 168796107 /nfs/dbraw/zinc/79/61/07/168796107.db2.gz IZFXYHBDRJEIOM-CQSZACIVSA-N 0 0 244.338 2.942 10 30 BFEERN Cc1cc(CN[C@H]2CCCC[C@H]2C#N)ccn1 ZINC000391189529 371276146 /nfs/dbraw/zinc/27/61/46/371276146.db2.gz OOTDOGYPCHDIIS-KBPBESRZSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1cc(CN[C@@H]2CCCC[C@@H]2C#N)ccn1 ZINC000391189536 371276385 /nfs/dbraw/zinc/27/63/85/371276385.db2.gz OOTDOGYPCHDIIS-ZIAGYGMSSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1cc(N2CCC[C@@H](C)C2)c(C#N)c(C)n1 ZINC000156535728 371442541 /nfs/dbraw/zinc/44/25/41/371442541.db2.gz NSTMKXKKHIPZAX-SNVBAGLBSA-N 0 0 229.327 2.806 10 30 BFEERN O=C1CC(c2cc(Cl)ccc2Cl)=NO1 ZINC000157411182 371549116 /nfs/dbraw/zinc/54/91/16/371549116.db2.gz XGWDOUASSONPEH-UHFFFAOYSA-N 0 0 230.050 2.644 10 30 BFEERN N#Cc1cc(N2CCc3ccccc3C2)ccc1N ZINC000131447916 371606258 /nfs/dbraw/zinc/60/62/58/371606258.db2.gz PNPQKFXQBRFUMY-UHFFFAOYSA-N 0 0 249.317 2.703 10 30 BFEERN C[C@H](CO)Sc1ccc(C#N)cc1Cl ZINC000162420308 371675225 /nfs/dbraw/zinc/67/52/25/371675225.db2.gz HCPJFUMKRFYBIM-SSDOTTSWSA-N 0 0 227.716 2.685 10 30 BFEERN C#C[C@@H](CCC)Nc1ccncc1Cl ZINC000230005970 371632651 /nfs/dbraw/zinc/63/26/51/371632651.db2.gz VDSBAHXBVXXOSU-VIFPVBQESA-N 0 0 208.692 2.949 10 30 BFEERN C#C[C@@H](CC)Nc1cc(Cl)nc(SC)n1 ZINC000230020951 371634387 /nfs/dbraw/zinc/63/43/87/371634387.db2.gz CYULJWHDIUYSDG-ZETCQYMHSA-N 0 0 241.747 2.676 10 30 BFEERN C#C[C@@H](CCC)Nc1ccnc(Cl)c1 ZINC000230021919 371636801 /nfs/dbraw/zinc/63/68/01/371636801.db2.gz QMPZXXLOFHQPCE-VIFPVBQESA-N 0 0 208.692 2.949 10 30 BFEERN Cc1csc(-c2cccc(N)c2C#N)n1 ZINC000131852619 371696291 /nfs/dbraw/zinc/69/62/91/371696291.db2.gz LJKAQMZQSQAFDN-UHFFFAOYSA-N 0 0 215.281 2.572 10 30 BFEERN Cc1cc(O)c(CC#N)c(Br)c1 ZINC000216413085 371752283 /nfs/dbraw/zinc/75/22/83/371752283.db2.gz DUKFKRUDOYQPBB-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN C[C@@H](C=O)c1cc(Br)ccc1F ZINC000132281113 371783991 /nfs/dbraw/zinc/78/39/91/371783991.db2.gz RZLCEJWLNCUEFR-LURJTMIESA-N 0 0 231.064 2.891 10 30 BFEERN N#Cc1ccc2ccc(Cl)c(F)c2n1 ZINC000230092942 371846122 /nfs/dbraw/zinc/84/61/22/371846122.db2.gz NACRICPJOVDNAH-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN C#CCCC[C@@]1(O)CSCCC1(C)C ZINC000163270264 371961911 /nfs/dbraw/zinc/96/19/11/371961911.db2.gz XWRNTSNHJGGVAF-GFCCVEGCSA-N 0 0 212.358 2.684 10 30 BFEERN C[C@@H](C#N)[C@H](O)c1sccc1Br ZINC000228023906 371978838 /nfs/dbraw/zinc/97/88/38/371978838.db2.gz HPZNCNDGQJAAEI-FSPLSTOPSA-N 0 0 246.129 2.704 10 30 BFEERN Cc1ccc(F)cc1[C@H]1CC[C@@H](C=O)O1 ZINC000306722978 372060440 /nfs/dbraw/zinc/06/04/40/372060440.db2.gz GDRBNIXLNIDWTK-CMPLNLGQSA-N 0 0 208.232 2.553 10 30 BFEERN N#CC(C#N)=NNc1ccc(Cl)cc1Cl ZINC000003642737 372040268 /nfs/dbraw/zinc/04/02/68/372040268.db2.gz FUUJMEJYPXPSJT-UHFFFAOYSA-N 0 0 239.065 2.808 10 30 BFEERN Fc1cc(OCCS)ccc1Cl ZINC000133239539 372011080 /nfs/dbraw/zinc/01/10/80/372011080.db2.gz WIPMYKMWUJMXHO-UHFFFAOYSA-N 0 0 206.669 2.788 10 30 BFEERN C[C@H]1CC[C@@](C=O)(Cc2cncs2)C1 ZINC000306720783 372059522 /nfs/dbraw/zinc/05/95/22/372059522.db2.gz CZQSAKJDDGKDOU-ONGXEEELSA-N 0 0 209.314 2.691 10 30 BFEERN Brc1ccc(N=NC2CCC2)nc1 ZINC000306751613 372064921 /nfs/dbraw/zinc/06/49/21/372064921.db2.gz HZTIKAKJRMIVJK-UHFFFAOYSA-N 0 0 240.104 2.796 10 30 BFEERN N#CC1(CO)CC(Cc2ccccc2Cl)C1 ZINC000606302816 372092221 /nfs/dbraw/zinc/09/22/21/372092221.db2.gz XZOCISOIMJAHAP-UHFFFAOYSA-N 0 0 235.714 2.795 10 30 BFEERN C#CC[C@H](C)Nc1cc(Cl)nnc1Cl ZINC000228990449 372100813 /nfs/dbraw/zinc/10/08/13/372100813.db2.gz ZGANYEZJHPFYRS-LURJTMIESA-N 0 0 230.098 2.607 10 30 BFEERN Cc1cccc(C)c1NC(=O)/N=C1/CCCN1C ZINC000013815095 205460516 /nfs/dbraw/zinc/46/05/16/205460516.db2.gz PAXRPWSXCPTPCA-QINSGFPZSA-N 0 0 245.326 2.959 10 30 in-man BFEERN CC[N@@H+]1CCC[C@H](Nc2ccc(C#N)cc2F)C1 ZINC000042359003 374264496 /nfs/dbraw/zinc/26/44/96/374264496.db2.gz GRORVORZEKGKGX-LBPRGKRZSA-N 0 0 247.317 2.594 10 30 BFEERN CC(C)(C)C[C@@H](C=O)NC(=O)OC(C)(C)C ZINC000013588584 166594918 /nfs/dbraw/zinc/59/49/18/166594918.db2.gz BABQUZZMJCHKKX-VIFPVBQESA-N 0 0 229.320 2.515 10 30 BFEERN CCCCN[C@@H](C#N)c1cccc(OC)c1 ZINC000020173271 168872465 /nfs/dbraw/zinc/87/24/65/168872465.db2.gz MTOCAVAUKUBPAH-ZDUSSCGKSA-N 0 0 218.300 2.650 10 30 BFEERN O=CCCOc1c(Cl)cccc1Cl ZINC000011569683 182850782 /nfs/dbraw/zinc/85/07/82/182850782.db2.gz RKKPMWALPUWNMY-UHFFFAOYSA-N 0 0 219.067 2.961 10 30 BFEERN CCCN(C(=O)C(C#N)(CC)CC)C(C)C ZINC000044765497 169040857 /nfs/dbraw/zinc/04/08/57/169040857.db2.gz LFGLBGUBEZYHBN-UHFFFAOYSA-N 0 0 224.348 2.963 10 30 BFEERN CCCN(CC)C(=O)[C@@H](C#N)c1ccccc1 ZINC000061614382 169115426 /nfs/dbraw/zinc/11/54/26/169115426.db2.gz JPQXWSBFIJURPO-ZDUSSCGKSA-N 0 0 230.311 2.552 10 30 BFEERN Oc1ccc(C=NNc2ccc(F)cc2)c(O)c1 ZINC000007949037 183266514 /nfs/dbraw/zinc/26/65/14/183266514.db2.gz BVEIIKSCYWADSA-OVCLIPMQSA-N 0 0 246.241 2.683 10 30 BFEERN Oc1ccc(/C=N\c2ccccc2O)c(O)c1 ZINC000100087528 183267309 /nfs/dbraw/zinc/26/73/09/183267309.db2.gz VISLUSLXCVLVTQ-ZSOIEALJSA-N 0 0 229.235 2.554 10 30 BFEERN Oc1ccc(F)cc1/C=N/C1CCCC1 ZINC000064490649 183274836 /nfs/dbraw/zinc/27/48/36/183274836.db2.gz BWGARCODLQADGS-RIYZIHGNSA-N 0 0 207.248 2.893 10 30 BFEERN CCCN(c1nc(C)ccc1C#N)C1CC1 ZINC000043399210 169183125 /nfs/dbraw/zinc/18/31/25/169183125.db2.gz FKLABBPTMSYXOE-UHFFFAOYSA-N 0 0 215.300 2.641 10 30 BFEERN CCCN[C@@H](C#N)c1cccc(OCC)c1 ZINC000020174908 169274012 /nfs/dbraw/zinc/27/40/12/169274012.db2.gz LPNSGCVUIYFHJS-ZDUSSCGKSA-N 0 0 218.300 2.650 10 30 BFEERN CCCN[C@@](C)(C#N)Cc1ccccc1OC ZINC000037734974 169283888 /nfs/dbraw/zinc/28/38/88/169283888.db2.gz MDJDDQLZFDXVGA-CQSZACIVSA-N 0 0 232.327 2.520 10 30 BFEERN CCCOc1cc(C)ccc1/C(C)=N/O ZINC000104347967 169314778 /nfs/dbraw/zinc/31/47/78/169314778.db2.gz XEEKSJKCEKUAIV-JLHYYAGUSA-N 0 0 207.273 2.982 10 30 BFEERN CCCN[C@](C)(C#N)CCc1ccc(OC)cc1 ZINC000037846544 169292234 /nfs/dbraw/zinc/29/22/34/169292234.db2.gz WPLIUFUSABKAJX-HNNXBMFYSA-N 0 0 246.354 2.910 10 30 BFEERN CCCN[C@](C)(C#N)Cc1ccccc1OC ZINC000037734973 169292669 /nfs/dbraw/zinc/29/26/69/169292669.db2.gz MDJDDQLZFDXVGA-AWEZNQCLSA-N 0 0 232.327 2.520 10 30 BFEERN CCCNc1nc(-c2cccnc2)ccc1C#N ZINC000050871711 169295535 /nfs/dbraw/zinc/29/55/35/169295535.db2.gz PBIRNAKEEXASLV-UHFFFAOYSA-N 0 0 238.294 2.837 10 30 BFEERN CCCOc1ccc([C@H](C#N)NCC)cc1 ZINC000020176380 169321644 /nfs/dbraw/zinc/32/16/44/169321644.db2.gz CQECATJHQUJJIS-ZDUSSCGKSA-N 0 0 218.300 2.650 10 30 BFEERN CCCOc1cccc([C@H](C#N)NC2CC2)c1 ZINC000020176632 169326196 /nfs/dbraw/zinc/32/61/96/169326196.db2.gz HPIMPYKKZWAHAE-AWEZNQCLSA-N 0 0 230.311 2.792 10 30 BFEERN CCC[C@H](C#N)C(=O)N(C)[C@@H](C)CCC ZINC000044823320 169485880 /nfs/dbraw/zinc/48/58/80/169485880.db2.gz WSKHVZYIPBLDEW-WDEREUQCSA-N 0 0 210.321 2.573 10 30 BFEERN CCC[C@H](C)COc1cccc(/C(N)=N/O)c1 ZINC000051320812 169483772 /nfs/dbraw/zinc/48/37/72/169483772.db2.gz LJBKHIFRMYLCGL-JTQLQIEISA-N 0 0 236.315 2.596 10 30 BFEERN CCN(C(=O)C(C)(C)C#N)c1ccccc1 ZINC000044752457 169629400 /nfs/dbraw/zinc/62/94/00/169629400.db2.gz KRNJQJDYOJBTIX-UHFFFAOYSA-N 0 0 216.284 2.589 10 30 BFEERN CC[C@H]1CCN(c2cc(C)nc(C)c2C#N)C1 ZINC000135369808 383849441 /nfs/dbraw/zinc/84/94/41/383849441.db2.gz JUTHGUQUHXWTFS-LBPRGKRZSA-N 0 0 229.327 2.806 10 30 BFEERN O=CC1=C(O)C(=Cc2ccccc2)CCC1 ZINC000001705354 383926352 /nfs/dbraw/zinc/92/63/52/383926352.db2.gz DIQQESKBTLPISF-CNELAYHGSA-N 0 0 214.264 2.638 10 30 BFEERN O=CCCc1cc(Cl)c(F)cc1F ZINC000088286418 383892545 /nfs/dbraw/zinc/89/25/45/383892545.db2.gz OQRIYHHWFNLYJF-UHFFFAOYSA-N 0 0 204.603 2.750 10 30 BFEERN Cc1c(Cl)cnc(N2C[C@@H]3CCC[C@@H]32)c1C#N ZINC000336500253 384016426 /nfs/dbraw/zinc/01/64/26/384016426.db2.gz NFMOAYSCNAZLAN-CABZTGNLSA-N 0 0 247.729 2.904 10 30 BFEERN Cc1cc(CC#N)cc(OC(F)F)c1C ZINC000575652412 384097444 /nfs/dbraw/zinc/09/74/44/384097444.db2.gz FOTDWWKBFNSYSR-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN C=CCn1c(NC(C)(C)C)nnc1C(C)C ZINC000309346019 134392595 /nfs/dbraw/zinc/39/25/95/134392595.db2.gz LQOLPXLACVAFGL-UHFFFAOYSA-N 0 0 222.336 2.798 10 30 BFEERN C#CCCCNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172936718 533039020 /nfs/dbraw/zinc/03/90/20/533039020.db2.gz DOMZZGFXDZFTBV-ZIAGYGMSSA-N 0 0 233.355 2.732 10 30 BFEERN CC(F)(F)OCC(F)(F)C(F)(F)F ZINC000072265689 384203854 /nfs/dbraw/zinc/20/38/54/384203854.db2.gz PBSQQVKWIVHMMV-UHFFFAOYSA-N 0 0 214.080 2.813 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1cccnc1C#N ZINC000233435527 384344398 /nfs/dbraw/zinc/34/43/98/384344398.db2.gz VQLWIMJWEZLXHZ-GXSJLCMTSA-N 0 0 201.273 2.554 10 30 BFEERN CCc1c(O)cc(OC(F)F)cc1CC#N ZINC000575655459 384354545 /nfs/dbraw/zinc/35/45/45/384354545.db2.gz NUGJGMAFGHUJPW-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCCCCCC[C@H](O)C1=C[C@@H](C)OC1=O ZINC000014261719 384387977 /nfs/dbraw/zinc/38/79/77/384387977.db2.gz YUMHJXLSSASJGN-PWSUYJOCSA-N 0 0 226.316 2.580 10 30 BFEERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@@H](C)CC#N ZINC000076966153 384390589 /nfs/dbraw/zinc/39/05/89/384390589.db2.gz NMSPRYDCTVZZRC-UBHSHLNASA-N 0 0 242.322 2.517 10 30 BFEERN O=CCOc1c(Cl)cccc1Cl ZINC000011584308 384475334 /nfs/dbraw/zinc/47/53/34/384475334.db2.gz RLINRMYAVBZNEU-UHFFFAOYSA-N 0 0 205.040 2.571 10 30 BFEERN Cc1cc(Cc2cccc(F)c2)[nH]c(=O)c1C#N ZINC000584906998 384502524 /nfs/dbraw/zinc/50/25/24/384502524.db2.gz KQXOTLXATNJSAM-UHFFFAOYSA-N 0 0 242.253 2.697 10 30 BFEERN N#Cc1cc(F)ccc1NCCC1=CCOCC1 ZINC000158077746 384506178 /nfs/dbraw/zinc/50/61/78/384506178.db2.gz SXXZQTXDEAIGOB-UHFFFAOYSA-N 0 0 246.285 2.846 10 30 BFEERN CCCCCCCC(=O)CC(=O)OCC ZINC000097971808 384582133 /nfs/dbraw/zinc/58/21/33/384582133.db2.gz YZKPCVHTRBTTAX-UHFFFAOYSA-N 0 0 214.305 2.869 10 30 BFEERN C[C@@H]1CC[C@](O)(c2ccccc2C#N)C1 ZINC000521400575 384628120 /nfs/dbraw/zinc/62/81/20/384628120.db2.gz AZUXUMOKRPLQNO-ZWNOBZJWSA-N 0 0 201.269 2.566 10 30 BFEERN CCOc1c(C#N)cccc1OC(C)C ZINC000521400356 384628403 /nfs/dbraw/zinc/62/84/03/384628403.db2.gz GYWLYHCVYHITQG-UHFFFAOYSA-N 0 0 205.257 2.744 10 30 BFEERN C[C@H]1CC[C@@](O)(c2ccccc2C#N)C1 ZINC000521400571 384628889 /nfs/dbraw/zinc/62/88/89/384628889.db2.gz AZUXUMOKRPLQNO-GWCFXTLKSA-N 0 0 201.269 2.566 10 30 BFEERN N#Cc1cccc([C@@H](C=O)c2ccccc2)c1 ZINC000098178455 384599243 /nfs/dbraw/zinc/59/92/43/384599243.db2.gz FKNCKBIVFQPWGL-HNNXBMFYSA-N 0 0 221.259 2.889 10 30 BFEERN Cc1cc(Br)c(CC#N)cc1O ZINC000575692017 384650279 /nfs/dbraw/zinc/65/02/79/384650279.db2.gz SAYWWJXRUPPWPU-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN Cc1c(O)ccc(Br)c1CC#N ZINC000575692581 384651297 /nfs/dbraw/zinc/65/12/97/384651297.db2.gz ZIYOCNYITDHBLW-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN Cc1ccc([C@@H]2CCCCN2CC#N)o1 ZINC000124612709 384660571 /nfs/dbraw/zinc/66/05/71/384660571.db2.gz BWCXRYJITAVLIP-NSHDSACASA-N 0 0 204.273 2.639 10 30 BFEERN O=C(C=Cc1ccccc1)C[C@@H](O)C(F)(F)F ZINC000043463976 384830230 /nfs/dbraw/zinc/83/02/30/384830230.db2.gz VFBBNTQRYMVZPO-XUIVZRPNSA-N 0 0 244.212 2.582 10 30 BFEERN Cc1cc(C)c2c(c1)ncc(C#N)c2N(C)C ZINC000072237050 384843038 /nfs/dbraw/zinc/84/30/38/384843038.db2.gz GQOBXUMEBMRHET-UHFFFAOYSA-N 0 0 225.295 2.789 10 30 BFEERN N#CCc1ccc(OC(F)F)c(N)c1Cl ZINC000575714099 384862763 /nfs/dbraw/zinc/86/27/63/384862763.db2.gz BCTGLAMOVDUKAK-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN Cc1csc(CN[C@H]2CCCC[C@@H]2C#N)n1 ZINC000054825974 384897038 /nfs/dbraw/zinc/89/70/38/384897038.db2.gz SIKCLMJRLGHXLO-MNOVXSKESA-N 0 0 235.356 2.624 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1CCCCCC1 ZINC000061888456 384987952 /nfs/dbraw/zinc/98/79/52/384987952.db2.gz ACFWSACDVSMOMF-OLZOCXBDSA-N 0 0 234.343 2.765 10 30 BFEERN C=CC[C@@H](CO)Nc1nc2ccccc2cc1C ZINC000302135716 384963440 /nfs/dbraw/zinc/96/34/40/384963440.db2.gz MIGZPWPIZOOURE-ZDUSSCGKSA-N 0 0 242.322 2.892 10 30 BFEERN Cc1cc(Br)cc(C#N)c1C ZINC000257951875 385515535 /nfs/dbraw/zinc/51/55/35/385515535.db2.gz AMSMKRPNOLCZGY-UHFFFAOYSA-N 0 0 210.074 2.938 10 30 BFEERN O=C[C@H]1CC[C@H](c2sccc2Cl)O1 ZINC000306817381 385806528 /nfs/dbraw/zinc/80/65/28/385806528.db2.gz DMHLACUXTNLHLC-HTRCEHHLSA-N 0 0 216.689 2.821 10 30 BFEERN C=CCN(CC)C(=O)OCc1ccccc1 ZINC000307313959 385849179 /nfs/dbraw/zinc/84/91/79/385849179.db2.gz HQLMDJKKXIZGQJ-UHFFFAOYSA-N 0 0 219.284 2.831 10 30 BFEERN N#Cc1ccnc(N2CCC[C@H]3CCCC[C@@H]32)n1 ZINC000231897413 385859398 /nfs/dbraw/zinc/85/93/98/385859398.db2.gz NFSFSVYBCQPYAR-YPMHNXCESA-N 0 0 242.326 2.507 10 30 BFEERN N#C[C@]1(c2ccccc2F)CCCC(=O)C1 ZINC000261508591 386029185 /nfs/dbraw/zinc/02/91/85/386029185.db2.gz UZSJYUVAIXKZQK-ZDUSSCGKSA-N 0 0 217.243 2.730 10 30 BFEERN CS[C@H](C)CNc1cc(C)nc(C)c1C#N ZINC000128810385 386055022 /nfs/dbraw/zinc/05/50/22/386055022.db2.gz MGBCRXDUKCOBRO-SECBINFHSA-N 0 0 235.356 2.734 10 30 BFEERN C[C@@H](Nc1cccc(F)c1C#N)[C@@H]1CCCO1 ZINC000112011827 386184607 /nfs/dbraw/zinc/18/46/07/386184607.db2.gz HGNRBAYUXPLLCB-RNCFNFMXSA-N 0 0 234.274 2.677 10 30 BFEERN C=CCc1c(F)c(F)c(C#N)c(F)c1F ZINC000091252195 386294026 /nfs/dbraw/zinc/29/40/26/386294026.db2.gz CXPKUIPIVFVLBE-UHFFFAOYSA-N 0 0 215.149 2.843 10 30 BFEERN CC1(C)CC([C@H]2C[C@H]2C=O)CC(C)(C)O1 ZINC000521401457 386459205 /nfs/dbraw/zinc/45/92/05/386459205.db2.gz YOCDZAFGWFJUHU-ONGXEEELSA-N 0 0 210.317 2.805 10 30 BFEERN C#C[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000095828690 386549893 /nfs/dbraw/zinc/54/98/93/386549893.db2.gz UAXNBQPQXSMBDC-QWRGUYRKSA-N 0 0 223.316 2.703 10 30 BFEERN C=C(C)COCCNc1cc(C)nc(C)c1C#N ZINC000123697430 386562190 /nfs/dbraw/zinc/56/21/90/386562190.db2.gz XKIRRYSNJWIWEZ-UHFFFAOYSA-N 0 0 245.326 2.575 10 30 BFEERN Cc1cc(Cl)c([N+](=O)[O-])c(CC#N)c1 ZINC000307408219 386636645 /nfs/dbraw/zinc/63/66/45/386636645.db2.gz ONCARAKXKLYQNA-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN CCc1onc(C)c1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000328881628 386640534 /nfs/dbraw/zinc/64/05/34/386640534.db2.gz LHZJIGMIQYOHIE-ZJUUUORDSA-N 0 0 249.314 2.575 10 30 BFEERN CCc1onc(C)c1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000328881625 386642176 /nfs/dbraw/zinc/64/21/76/386642176.db2.gz LHZJIGMIQYOHIE-UWVGGRQHSA-N 0 0 249.314 2.575 10 30 BFEERN COC(=O)Cc1ccc(C)c(C#N)c1C(F)F ZINC000575344218 386690555 /nfs/dbraw/zinc/69/05/55/386690555.db2.gz VYIILIDSZAAXHM-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN COC(=O)Cc1cc(C)c(C(F)F)c(C#N)c1 ZINC000575343704 386691837 /nfs/dbraw/zinc/69/18/37/386691837.db2.gz CGCAHBQKFOANOF-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN N#Cc1cc(C(=O)C(F)(F)C(F)F)ccc1F ZINC000575361730 386763150 /nfs/dbraw/zinc/76/31/50/386763150.db2.gz AMMZBQDQHBTHNC-UHFFFAOYSA-N 0 0 249.138 2.780 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)CC1=CCCCC1 ZINC000334639981 386783031 /nfs/dbraw/zinc/78/30/31/386783031.db2.gz WEOLGTUNLJRBEM-OLZOCXBDSA-N 0 0 232.327 2.685 10 30 BFEERN Cc1cnc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)o1 ZINC000408446950 386816644 /nfs/dbraw/zinc/81/66/44/386816644.db2.gz SYJXCDYTLKIHTN-SRVKXCTJSA-N 0 0 233.315 2.716 10 30 BFEERN Cc1cnc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)o1 ZINC000408446948 386817259 /nfs/dbraw/zinc/81/72/59/386817259.db2.gz SYJXCDYTLKIHTN-QJPTWQEYSA-N 0 0 233.315 2.716 10 30 BFEERN CCOC(=O)c1c(C#N)cc(CC)cc1CC ZINC000575385592 386945456 /nfs/dbraw/zinc/94/54/56/386945456.db2.gz MUUSAWRZVVBKBB-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)Cc1cc(CC)c(C#N)c(CC)c1 ZINC000575385426 386945727 /nfs/dbraw/zinc/94/57/27/386945727.db2.gz PYFMOKOJJJZAIO-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCc1cc(C(=O)OC)cc(C#N)c1C(F)F ZINC000575389712 386955087 /nfs/dbraw/zinc/95/50/87/386955087.db2.gz LMMXOWCCXBTKOE-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)Cc1cc([S-])c(C#N)c(CC)c1 ZINC000575387970 386959239 /nfs/dbraw/zinc/95/92/39/386959239.db2.gz CXTPRZIJTJDDCY-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN COC(=O)c1ccc(C(F)(F)F)c(C#N)c1C ZINC000575395337 386996620 /nfs/dbraw/zinc/99/66/20/386996620.db2.gz ZKOQHLOFGILLMY-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1c(C)cc(C(F)(F)F)cc1C#N ZINC000575395288 386996780 /nfs/dbraw/zinc/99/67/80/386996780.db2.gz WQIUITXNBMMKAQ-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1ccc(C#N)c(C(F)(F)F)c1C ZINC000575394679 386998628 /nfs/dbraw/zinc/99/86/28/386998628.db2.gz KFXJSUPUYIFBNR-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN CCc1cc(O)c(CC#N)c(OC(F)F)c1 ZINC000575655043 387036434 /nfs/dbraw/zinc/03/64/34/387036434.db2.gz KGSKAGGNSCHSSY-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCOc1c(F)cc(OC(F)F)cc1C#N ZINC000575655112 387038508 /nfs/dbraw/zinc/03/85/08/387038508.db2.gz HYCVJRHCCHTSJC-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCc1cc(CC#N)c(OC)cc1OC(F)F ZINC000575656397 387042291 /nfs/dbraw/zinc/04/22/91/387042291.db2.gz FXKONWLTXNAQJQ-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1cc(CC#N)c(F)c(OC(F)F)c1 ZINC000575656782 387042577 /nfs/dbraw/zinc/04/25/77/387042577.db2.gz NJJUALLPGKBYEK-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCc1c(OC)ccc(CC#N)c1OC(F)F ZINC000575656900 387043919 /nfs/dbraw/zinc/04/39/19/387043919.db2.gz KJTVPTBTIUMZAG-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1c(F)ccc(OC(F)F)c1CC#N ZINC000575657201 387044712 /nfs/dbraw/zinc/04/47/12/387044712.db2.gz QATMUBBMQJCPTQ-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCCCOC(=O)[C@@H]1O[C@@]1(C)c1ccccc1 ZINC000032168628 387066902 /nfs/dbraw/zinc/06/69/02/387066902.db2.gz AWOJEIWMCLENLY-JSGCOSHPSA-N 0 0 234.295 2.644 10 30 BFEERN CCc1cc(OC)cc(CC#N)c1OC(F)F ZINC000575658145 387046336 /nfs/dbraw/zinc/04/63/36/387046336.db2.gz QDCXPAYXVVWQEP-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN Cc1c(F)ccc(OC(F)F)c1CC#N ZINC000575661039 387050733 /nfs/dbraw/zinc/05/07/33/387050733.db2.gz GNXLNUPKVSZXNK-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN CCc1cc([N+](=O)[O-])cc(OC(F)F)c1C#N ZINC000575657924 387051531 /nfs/dbraw/zinc/05/15/31/387051531.db2.gz BTWPJQOGUYGJHJ-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN COc1c(F)cc(OC(F)F)cc1CC#N ZINC000575659992 387052465 /nfs/dbraw/zinc/05/24/65/387052465.db2.gz MXROWVYRIOIJBB-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN COc1cc(OC(F)F)cc(CC#N)c1F ZINC000575660000 387052938 /nfs/dbraw/zinc/05/29/38/387052938.db2.gz NBBYLGTWADGANN-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN CCc1cc(C#N)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575659995 387053146 /nfs/dbraw/zinc/05/31/46/387053146.db2.gz QYPYMONIWQMULL-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN O=C(/C=C/Cl)c1cc(O)ccc1Cl ZINC000575466454 387065719 /nfs/dbraw/zinc/06/57/19/387065719.db2.gz NNLBMYWDQDVEHS-ONEGZZNKSA-N 0 0 217.051 2.981 10 30 BFEERN CCCCOC(=O)[C@H]1O[C@]1(C)c1ccccc1 ZINC000032168637 387072145 /nfs/dbraw/zinc/07/21/45/387072145.db2.gz AWOJEIWMCLENLY-TZMCWYRMSA-N 0 0 234.295 2.644 10 30 BFEERN Cc1cc(C#N)cc(F)c1OC(F)F ZINC000575661696 387111966 /nfs/dbraw/zinc/11/19/66/387111966.db2.gz UKGLTHZOMLGMMG-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)ccc1F ZINC000063056499 387239703 /nfs/dbraw/zinc/23/97/03/387239703.db2.gz WQSXCNPSGJUNKL-WCQYABFASA-N 0 0 246.285 2.556 10 30 BFEERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)ccc1F ZINC000063056500 387240721 /nfs/dbraw/zinc/24/07/21/387240721.db2.gz WQSXCNPSGJUNKL-AAEUAGOBSA-N 0 0 246.285 2.556 10 30 BFEERN COc1ccc(OC(F)F)c(CC#N)c1C ZINC000575665659 387315730 /nfs/dbraw/zinc/31/57/30/387315730.db2.gz SCGKBEQCWHNRHG-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN COc1c(C)ccc(OC(F)F)c1CC#N ZINC000575664496 387291391 /nfs/dbraw/zinc/29/13/91/387291391.db2.gz GWEOOYCHVNNLKQ-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN N#Cc1ccn(C[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000575601461 387360314 /nfs/dbraw/zinc/36/03/14/387360314.db2.gz AZHXKARKWMZQKQ-JSGCOSHPSA-N 0 0 223.279 2.558 10 30 BFEERN CC(C)Oc1ccc([C@H]2C[C@H]2C=O)cc1 ZINC000575602054 387368194 /nfs/dbraw/zinc/36/81/94/387368194.db2.gz KDFLFPRDNVWNHC-WCQYABFASA-N 0 0 204.269 2.776 10 30 BFEERN N#C[C@@H]1CO[C@@H]2C[C@@H](C(F)(F)F)CC[C@H]12 ZINC000575601966 387369103 /nfs/dbraw/zinc/36/91/03/387369103.db2.gz JKHDXWYOLGBYAJ-BZNPZCIMSA-N 0 0 219.206 2.504 10 30 BFEERN Cc1cc(CC#N)c(O)cc1Br ZINC000575692138 387379108 /nfs/dbraw/zinc/37/91/08/387379108.db2.gz UTQQYZARQJEESO-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN CCOc1cc(O)c(C(F)F)cc1CC#N ZINC000575667610 387322289 /nfs/dbraw/zinc/32/22/89/387322289.db2.gz SDMNEFKPZBSOHK-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN N#CCc1cc(O)cc(C(F)F)c1F ZINC000575667725 387323945 /nfs/dbraw/zinc/32/39/45/387323945.db2.gz LMDNGIDELRCKGX-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN Cc1ccc(OC(F)F)c([N+](=O)[O-])c1CC#N ZINC000575668055 387325720 /nfs/dbraw/zinc/32/57/20/387325720.db2.gz QIEKQWIJXAZVSZ-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN N#CCc1cc(C(F)F)c(F)cc1O ZINC000575668510 387326441 /nfs/dbraw/zinc/32/64/41/387326441.db2.gz RFKORLNPKCPWSQ-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN CC(C)(C)OC(=O)N[C@@]1(C#N)CCCC1(C)C ZINC000575497259 387328174 /nfs/dbraw/zinc/32/81/74/387328174.db2.gz SVDJATRYHSSTOC-CYBMUJFWSA-N 0 0 238.331 2.984 10 30 BFEERN N#Cc1cc(F)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575669605 387329776 /nfs/dbraw/zinc/32/97/76/387329776.db2.gz FQDWXPWMKFGQLR-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN CCOc1ccc(C#N)c(C(F)(F)F)c1O ZINC000575670211 387330366 /nfs/dbraw/zinc/33/03/66/387330366.db2.gz GSZDLAUKBHSWFK-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN N#Cc1cc(C(F)F)c(F)cc1[N+](=O)[O-] ZINC000575669892 387331472 /nfs/dbraw/zinc/33/14/72/387331472.db2.gz RNSBVVUNHTVOHL-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN CCOc1cc(C(F)(F)F)c(C#N)cc1O ZINC000575670564 387334392 /nfs/dbraw/zinc/33/43/92/387334392.db2.gz MFNSBPXQZYIOSF-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN CCOc1cc(F)c(C#N)cc1OC(F)(F)F ZINC000575671119 387337424 /nfs/dbraw/zinc/33/74/24/387337424.db2.gz USVNCFINTOPSMO-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN Cc1cc(C(F)F)cc([N+](=O)[O-])c1C#N ZINC000575672268 387338499 /nfs/dbraw/zinc/33/84/99/387338499.db2.gz WHRCZFULJUEXLI-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN CCc1cc(C(F)(F)F)cc(C#N)c1O ZINC000575672667 387338977 /nfs/dbraw/zinc/33/89/77/387338977.db2.gz GCPORDFOGPZQEO-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN Cc1cc(CC#N)c([N+](=O)[O-])cc1C(F)(F)F ZINC000575673846 387342346 /nfs/dbraw/zinc/34/23/46/387342346.db2.gz OJWQHSCQXNERLW-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN O=C(/C=C/Cl)c1ccc(Br)o1 ZINC000575500507 387352033 /nfs/dbraw/zinc/35/20/33/387352033.db2.gz FXDQJAGFPXMKEQ-ONEGZZNKSA-N 0 0 235.464 2.977 10 30 BFEERN CCOc1ccc(N)c(C(F)(F)F)c1CC#N ZINC000575718453 387424377 /nfs/dbraw/zinc/42/43/77/387424377.db2.gz UJWMLBJSEUNWOX-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN CCc1cc(Br)cc(CC#N)c1N ZINC000575714819 387428367 /nfs/dbraw/zinc/42/83/67/387428367.db2.gz SJUCKZWPGZHNSK-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN N#CCc1cc(Cl)c(N)c(OC(F)F)c1 ZINC000575714885 387428381 /nfs/dbraw/zinc/42/83/81/387428381.db2.gz PKIYPQOMIRVBDL-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN CCOc1c(N)cc(C(F)(F)F)cc1CC#N ZINC000575717075 387435447 /nfs/dbraw/zinc/43/54/47/387435447.db2.gz BCJSQFUZQSWOCF-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN Cc1c(CC#N)ccc(N)c1C(F)(F)F ZINC000575720574 387443592 /nfs/dbraw/zinc/44/35/92/387443592.db2.gz ZKBSATOJMXRZEG-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN CCOc1cc(CC)c([N+](=O)[O-])c(CC#N)c1 ZINC000575695347 387396196 /nfs/dbraw/zinc/39/61/96/387396196.db2.gz HUFARWBVMXJWFY-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN N#CCc1c(N)c(Cl)ccc1OC(F)F ZINC000575714452 387411233 /nfs/dbraw/zinc/41/12/33/387411233.db2.gz IOLNIDJSKLLTGC-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN CCc1cc(N)cc(CC#N)c1Br ZINC000575714526 387413434 /nfs/dbraw/zinc/41/34/34/387413434.db2.gz QFIXNRAHQJFSPY-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN COC(=O)c1cc(Cl)c(C(F)F)cc1C#N ZINC000575713319 387417459 /nfs/dbraw/zinc/41/74/59/387417459.db2.gz SUPPPFRMOSAZAO-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN CCc1cc(Br)c(N)cc1CC#N ZINC000575713784 387418095 /nfs/dbraw/zinc/41/80/95/387418095.db2.gz BZYJZSVIDCOCNS-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN N#CCc1c(N)cc(Br)cc1Cl ZINC000575714125 387418116 /nfs/dbraw/zinc/41/81/16/387418116.db2.gz LDVKMMCELIJBHT-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN N#CCc1cc(Cl)c(OC(F)F)cc1N ZINC000575714073 387419124 /nfs/dbraw/zinc/41/91/24/387419124.db2.gz ALGVDPIHJLPORU-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN N#CCc1ccc(Cl)c(OC(F)F)c1N ZINC000575714187 387419222 /nfs/dbraw/zinc/41/92/22/387419222.db2.gz DGFCADAAEOYMPN-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN N#CCc1cc(N)cc(OC(F)F)c1Cl ZINC000575714020 387419227 /nfs/dbraw/zinc/41/92/27/387419227.db2.gz ADMUXKLHZKGDDD-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN CCc1cc(C(F)(F)F)cc(CC#N)c1N ZINC000575718995 387423080 /nfs/dbraw/zinc/42/30/80/387423080.db2.gz SUAFHONZPRKHMX-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN C[C@@H]1C[C@H]1Nc1nc2c(cc1C#N)CCCC2 ZINC000052290828 387470313 /nfs/dbraw/zinc/47/03/13/387470313.db2.gz APXVPGWSHWEXOI-NOZJJQNGSA-N 0 0 227.311 2.652 10 30 BFEERN COC(=O)c1ccc(Cl)c(Cl)c1C#N ZINC000306606427 387589818 /nfs/dbraw/zinc/58/98/18/387589818.db2.gz ROJCZNWRZFFAJS-UHFFFAOYSA-N 0 0 230.050 2.652 10 30 BFEERN CCc1cc(OC(F)F)c(CC#N)cc1C#N ZINC000575640371 387838276 /nfs/dbraw/zinc/83/82/76/387838276.db2.gz NUSBZSOQZFMZHP-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN CCc1cc(C#N)c(OC(F)F)c(CC#N)c1 ZINC000575640278 387838730 /nfs/dbraw/zinc/83/87/30/387838730.db2.gz NIHFBZATHNIPPW-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN COc1cc(C#N)cc(C(F)F)c1CC#N ZINC000575642632 387844287 /nfs/dbraw/zinc/84/42/87/387844287.db2.gz FNKNQUNYGPCLHG-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)NCc1cccc(C#N)c1 ZINC000230055029 387847156 /nfs/dbraw/zinc/84/71/56/387847156.db2.gz SUWUCYHOIWIRQG-RISCZKNCSA-N 0 0 242.322 2.611 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccc(Cl)cc1 ZINC000061888654 387848863 /nfs/dbraw/zinc/84/88/63/387848863.db2.gz PIZOLRYWOLYOHO-JQWIXIFHSA-N 0 0 248.713 2.762 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)CC1CCCCC1 ZINC000061888784 387848918 /nfs/dbraw/zinc/84/89/18/387848918.db2.gz XEIDCHOAYOKFEX-OLZOCXBDSA-N 0 0 234.343 2.765 10 30 BFEERN Cc1ccc(F)cc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000062665688 387856721 /nfs/dbraw/zinc/85/67/21/387856721.db2.gz AYJFTZOCFRNWMT-MFKMUULPSA-N 0 0 246.285 2.556 10 30 BFEERN CCOC(=O)c1c(C)[nH]c2cc(C#N)ccc21 ZINC000261264415 387864923 /nfs/dbraw/zinc/86/49/23/387864923.db2.gz GVNDABUBOUBKTE-UHFFFAOYSA-N 0 0 228.251 2.525 10 30 BFEERN CCOc1cc(C#N)c(CC#N)c(CC)c1 ZINC000575643482 387864936 /nfs/dbraw/zinc/86/49/36/387864936.db2.gz REDVAEBUBUPYKL-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN CCOc1cc(C#N)cc(CC#N)c1CC ZINC000575642892 387865793 /nfs/dbraw/zinc/86/57/93/387865793.db2.gz KKMQWVILTXBLGU-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN CCOc1cc(CC#N)c(C#N)cc1CC ZINC000575643032 387866908 /nfs/dbraw/zinc/86/69/08/387866908.db2.gz LBSMIYPMKBGYPB-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN CCOc1cc(C#N)c(CC)c(CC#N)c1 ZINC000575643665 387869486 /nfs/dbraw/zinc/86/94/86/387869486.db2.gz SRYKXNHFGWSWPL-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN N#CCc1cc(C#N)cc(C(F)(F)F)c1F ZINC000575648353 387892571 /nfs/dbraw/zinc/89/25/71/387892571.db2.gz PWWCNFFFKHUHKU-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN Cc1cc(CC#N)c(C)c(OC(F)F)c1 ZINC000575652806 387893400 /nfs/dbraw/zinc/89/34/00/387893400.db2.gz LHHIJRBOARCEAD-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN CCc1cc(OC(F)F)c(F)cc1C#N ZINC000575653307 387894847 /nfs/dbraw/zinc/89/48/47/387894847.db2.gz FCGHCZUHXLKUSY-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN Cc1c(C#N)ccc(CC#N)c1C(F)(F)F ZINC000575645060 387875547 /nfs/dbraw/zinc/87/55/47/387875547.db2.gz CXKSAIFGOPZIKN-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN Cc1cc(C#N)cc(C(F)(F)F)c1CC#N ZINC000575646049 387877964 /nfs/dbraw/zinc/87/79/64/387877964.db2.gz HJJMGCPIJQYMAX-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN COc1c(CC#N)c(C#N)ccc1C(F)(F)F ZINC000575645324 387879946 /nfs/dbraw/zinc/87/99/46/387879946.db2.gz FAANELPUMRHAPT-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN Cc1cc(CC#N)cc(C(F)(F)F)c1C#N ZINC000575647932 387879975 /nfs/dbraw/zinc/87/99/75/387879975.db2.gz NGOYQXRGEKMIRN-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN N#CCc1cc(F)c(C(F)(F)F)c(C#N)c1 ZINC000575649852 387888375 /nfs/dbraw/zinc/88/83/75/387888375.db2.gz UZLJVJFHSUMMPN-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN N#CCCCN1CCCC[C@H]1c1nccs1 ZINC000195364130 387911374 /nfs/dbraw/zinc/91/13/74/387911374.db2.gz PDTHTSFSKPUHRD-NSHDSACASA-N 0 0 235.356 2.974 10 30 BFEERN C=CC[N@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195323508 387919869 /nfs/dbraw/zinc/91/98/69/387919869.db2.gz OYCYAERSSJJDAL-LLVKDONJSA-N 0 0 222.357 2.817 10 30 BFEERN C[C@H]1CC[C@H](NC(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000461962610 388263488 /nfs/dbraw/zinc/26/34/88/388263488.db2.gz DGPJXHLCRGBAMB-LPWJVIDDSA-N 0 0 249.358 2.557 10 30 BFEERN C[C@H](Nc1ccc(C#N)nc1)c1ccco1 ZINC000131885587 388353493 /nfs/dbraw/zinc/35/34/93/388353493.db2.gz BXUMXRPFMTYSKS-VIFPVBQESA-N 0 0 213.240 2.719 10 30 BFEERN O=CC1(c2cccc(Br)c2)CC1 ZINC000057516870 388361569 /nfs/dbraw/zinc/36/15/69/388361569.db2.gz AFRYNNOVGPGFFN-UHFFFAOYSA-N 0 0 225.085 2.680 10 30 BFEERN CC#CCC(=O)[C@H]1SCCS[C@H]1CC ZINC000228083527 388378378 /nfs/dbraw/zinc/37/83/78/388378378.db2.gz OZGBJZMUYPXDEA-WDEREUQCSA-N 0 0 228.382 2.596 10 30 BFEERN C[C@H]1OCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000134381522 388398014 /nfs/dbraw/zinc/39/80/14/388398014.db2.gz XCRYDOYIRDPZSY-PELKAZGASA-N 0 0 236.702 2.801 10 30 BFEERN C[C@@H]1OCC[C@@H]1Nc1cc(Cl)ccc1C#N ZINC000134383022 388398680 /nfs/dbraw/zinc/39/86/80/388398680.db2.gz SYRMXYRVIFWIQV-KWQFWETISA-N 0 0 236.702 2.801 10 30 BFEERN CCOC(=O)Cc1cc(CC)c(CC)cc1C#N ZINC000575385282 388456976 /nfs/dbraw/zinc/45/69/76/388456976.db2.gz IJQGYUQUKJEJCQ-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CC(C)(C)Nc1ccc(Cl)c(C#N)n1 ZINC000301522415 388612628 /nfs/dbraw/zinc/61/26/28/388612628.db2.gz HJZNFNCCCNBNGA-UHFFFAOYSA-N 0 0 209.680 2.817 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)N(C)c1ccccc1C#N ZINC000230059763 388632340 /nfs/dbraw/zinc/63/23/40/388632340.db2.gz YZJBLMWQUDEAQG-DGCLKSJQSA-N 0 0 242.322 2.957 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1nccc(C)c1C#N ZINC000230080674 388633336 /nfs/dbraw/zinc/63/33/36/388633336.db2.gz ZMMPRHVMCMMLFY-JQWIXIFHSA-N 0 0 215.300 2.862 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1nccc(C)c1C#N ZINC000230080669 388633369 /nfs/dbraw/zinc/63/33/69/388633369.db2.gz ZMMPRHVMCMMLFY-PWSUYJOCSA-N 0 0 215.300 2.862 10 30 BFEERN CC1CC(C(=O)Nc2ccc(F)c(C#N)c2)C1 ZINC000530761686 388715816 /nfs/dbraw/zinc/71/58/16/388715816.db2.gz BOEDFGIUASGDLR-UHFFFAOYSA-N 0 0 232.258 2.682 10 30 BFEERN Oc1cccc(N=Cc2cccc(O)c2O)c1 ZINC000254386536 388733762 /nfs/dbraw/zinc/73/37/62/388733762.db2.gz NUVKZAUFKGVVQB-UHFFFAOYSA-N 0 0 229.235 2.554 10 30 BFEERN N#Cc1c(F)ccc(N)c1NCc1ccccc1 ZINC000575469217 388843954 /nfs/dbraw/zinc/84/39/54/388843954.db2.gz SHLZRFZDFZLXGV-UHFFFAOYSA-N 0 0 241.269 2.892 10 30 BFEERN C[C@H]1CCC[C@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575497486 388984319 /nfs/dbraw/zinc/98/43/19/388984319.db2.gz VSCIMNRIDPQYEI-GWCFXTLKSA-N 0 0 238.331 2.984 10 30 BFEERN C[C@@H]1CCC[C@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575497492 388984467 /nfs/dbraw/zinc/98/44/67/388984467.db2.gz VSCIMNRIDPQYEI-MFKMUULPSA-N 0 0 238.331 2.984 10 30 BFEERN CCC[C@H]1[C@@H](C)CCCN1c1nccc(C#N)n1 ZINC000297437020 132221424 /nfs/dbraw/zinc/22/14/24/132221424.db2.gz IHNOCEUTIWIJDV-AAEUAGOBSA-N 0 0 244.342 2.753 10 30 BFEERN CC1=C2CCc3ccccc3N2CCC1=O ZINC000000022619 132312267 /nfs/dbraw/zinc/31/22/67/132312267.db2.gz DXHLMUSXIWMQGZ-UHFFFAOYSA-N 0 0 213.280 2.686 10 30 BFEERN Cc1ccc2c(c1)CCC1=CC(=O)CCN21 ZINC000000022618 132312426 /nfs/dbraw/zinc/31/24/26/132312426.db2.gz JZEHDLKGTVQWAJ-UHFFFAOYSA-N 0 0 213.280 2.604 10 30 BFEERN CC[C@@H](CC#N)N1CCCc2c(N)cccc21 ZINC000037906242 132345608 /nfs/dbraw/zinc/34/56/08/132345608.db2.gz ZGXBEVGCDATJDX-NSHDSACASA-N 0 0 229.327 2.714 10 30 BFEERN C[C@@H]1[C@@H](C)CCCN1c1ccc(C#N)cc1N ZINC000050564119 132359179 /nfs/dbraw/zinc/35/91/79/132359179.db2.gz FQGLIMPATZOPRH-WDEREUQCSA-N 0 0 229.327 2.765 10 30 BFEERN O=C[C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000054268649 132364067 /nfs/dbraw/zinc/36/40/67/132364067.db2.gz FGVXLWVCYAESFN-LBPRGKRZSA-N 0 0 240.306 2.650 10 30 BFEERN Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1F ZINC000161616692 133514783 /nfs/dbraw/zinc/51/47/83/133514783.db2.gz HWTICHSSJGDLDH-ZYHUDNBSSA-N 0 0 246.285 2.556 10 30 BFEERN C#CCNC(=O)[C@@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000076941684 133657823 /nfs/dbraw/zinc/65/78/23/133657823.db2.gz QBTXSUKPADXCQK-LSDHHAIUSA-N 0 0 241.334 2.663 10 30 BFEERN Cc1nc(N2C[C@@H]3CCC[C@@H]32)c(Cl)cc1C#N ZINC000336032601 134058851 /nfs/dbraw/zinc/05/88/51/134058851.db2.gz AYBRUQQIVPXYHG-CABZTGNLSA-N 0 0 247.729 2.904 10 30 BFEERN COc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)cc1C#N ZINC000336113890 134087956 /nfs/dbraw/zinc/08/79/56/134087956.db2.gz DZAGJRANMMPRMX-OCCSQVGLSA-N 0 0 242.322 2.551 10 30 BFEERN N#CCC[C@@H](C#N)CN1CCC[C@H]1c1ccco1 ZINC000116404330 134217620 /nfs/dbraw/zinc/21/76/20/134217620.db2.gz SWKOALBXSIYDBK-STQMWFEESA-N 0 0 243.310 2.860 10 30 BFEERN Cc1ccc([C@H](C)[NH2+]CCCSCC#N)o1 ZINC000182563733 134345797 /nfs/dbraw/zinc/34/57/97/134345797.db2.gz IYOUGWIMBOAWJV-NSHDSACASA-N 0 0 238.356 2.886 10 30 BFEERN C=CCNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000183455183 134351676 /nfs/dbraw/zinc/35/16/76/134351676.db2.gz YBWAAGXWPPZBKI-WDEREUQCSA-N 0 0 209.333 2.751 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1ncc(Cl)s1 ZINC000225521318 134353793 /nfs/dbraw/zinc/35/37/93/134353793.db2.gz VEKQGQOKIDTXQD-HTQZYQBOSA-N 0 0 241.747 2.578 10 30 BFEERN N#C[C@H]1CCC[C@@H]1Nc1ncnc2ccsc21 ZINC000408103368 134392554 /nfs/dbraw/zinc/39/25/54/134392554.db2.gz AIZXYDSNZYMZNM-BDAKNGLRSA-N 0 0 244.323 2.795 10 30 BFEERN Cc1cc(C#N)nc(N2CCCCC(C)(C)C2)n1 ZINC000408108621 134393851 /nfs/dbraw/zinc/39/38/51/134393851.db2.gz SQYUKJNAZSGRTC-UHFFFAOYSA-N 0 0 244.342 2.673 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000230041900 134478822 /nfs/dbraw/zinc/47/88/22/134478822.db2.gz IMLQGOGVFFZZAB-ZWNOBZJWSA-N 0 0 228.295 2.933 10 30 BFEERN C[C@H](NC(=O)CC#N)c1ccc(F)c(Cl)c1 ZINC000133124366 134743025 /nfs/dbraw/zinc/74/30/25/134743025.db2.gz PQPRKTIFSMDEMY-ZETCQYMHSA-N 0 0 240.665 2.570 10 30 BFEERN CC[C@@](C)(C#N)C(=O)Nc1ccccc1OC ZINC000136163809 134786303 /nfs/dbraw/zinc/78/63/03/134786303.db2.gz MJACVEWNAUQKIV-ZDUSSCGKSA-N 0 0 232.283 2.574 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)CC1CCCCC1 ZINC000061888785 134804431 /nfs/dbraw/zinc/80/44/31/134804431.db2.gz XEIDCHOAYOKFEX-QWHCGFSZSA-N 0 0 234.343 2.765 10 30 BFEERN C=CC[C@@H](CO)Nc1ccc(Cl)cc1C#N ZINC000302159619 134856766 /nfs/dbraw/zinc/85/67/66/134856766.db2.gz XSOWACNDGWCHGX-NSHDSACASA-N 0 0 236.702 2.561 10 30 BFEERN C=CC[C@H](CO)Nc1ccc(Cl)cc1C#N ZINC000302159618 134857193 /nfs/dbraw/zinc/85/71/93/134857193.db2.gz XSOWACNDGWCHGX-LLVKDONJSA-N 0 0 236.702 2.561 10 30 BFEERN COc1ccc([C@@H]2C[C@H](C)N([C@H](C)C#N)C2)cc1 ZINC000248455193 135012545 /nfs/dbraw/zinc/01/25/45/135012545.db2.gz KUKXCWNZTDEJIK-OUCADQQQSA-N 0 0 244.338 2.785 10 30 BFEERN CCOC=Nc1cccc([N+](=O)[O-])c1C ZINC000256880765 135099721 /nfs/dbraw/zinc/09/97/21/135099721.db2.gz NONIOTXCYPEXMP-UHFFFAOYSA-N 0 0 208.217 2.600 10 30 BFEERN N#CC1(CN2CCc3ccccc32)CCC1 ZINC000258669709 135132807 /nfs/dbraw/zinc/13/28/07/135132807.db2.gz OJUQGGPLARQXMD-UHFFFAOYSA-N 0 0 212.296 2.743 10 30 BFEERN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)sc1C ZINC000087567110 135508584 /nfs/dbraw/zinc/50/85/84/135508584.db2.gz NHEHTDPCTAQKAT-MNOVXSKESA-N 0 0 248.351 2.787 10 30 BFEERN C=CCNC(=O)N[C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182412837 135523243 /nfs/dbraw/zinc/52/32/43/135523243.db2.gz WDDHMSQOYYHSTH-FZMZJTMJSA-N 0 0 244.338 2.714 10 30 BFEERN C=CC[Si](C)(C)c1ccc(C=O)cc1 ZINC000195945250 397937923 /nfs/dbraw/zinc/93/79/23/397937923.db2.gz CHCAPZJDKXEWOF-UHFFFAOYSA-N 0 0 204.345 2.601 10 30 BFEERN CCOc1cc(C#N)c(CC#N)c(C(F)F)c1 ZINC000575639899 398037886 /nfs/dbraw/zinc/03/78/86/398037886.db2.gz CGFBOWKPGCEYNN-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN C#CCOc1cccc(Cl)c1C(C)=O ZINC000307120481 397981463 /nfs/dbraw/zinc/98/14/63/397981463.db2.gz HLZAAAMFAVSHFR-UHFFFAOYSA-N 0 0 208.644 2.555 10 30 BFEERN CC[C@H](C#N)Sc1ccc(C)cc1N ZINC000043542947 171220146 /nfs/dbraw/zinc/22/01/46/171220146.db2.gz QXEUNTZDYZGCJE-SECBINFHSA-N 0 0 206.314 2.972 10 30 BFEERN CCOC(=O)[C@H]1C(C)=C(CC)C(=O)C[C@@H]1C ZINC000584624789 398079539 /nfs/dbraw/zinc/07/95/39/398079539.db2.gz WMQYZBLUMOGYDU-QPUJVOFHSA-N 0 0 224.300 2.501 10 30 BFEERN CCc1ccc(CN[C@@H]2CCC[C@H]2C#N)o1 ZINC000061892560 398107491 /nfs/dbraw/zinc/10/74/91/398107491.db2.gz NBLWZYVCPJJTSB-GXFFZTMASA-N 0 0 218.300 2.624 10 30 BFEERN CCOc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061891065 398107564 /nfs/dbraw/zinc/10/75/64/398107564.db2.gz LGXWSWSQIFGJEK-DZGCQCFKSA-N 0 0 244.338 2.867 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1cc(F)ccc1F ZINC000061891820 398107864 /nfs/dbraw/zinc/10/78/64/398107864.db2.gz IPOQBNKMGTUHBH-TVQRCGJNSA-N 0 0 236.265 2.747 10 30 BFEERN CC(C)O[P@](C)(=O)OC(C)(C)C#N ZINC000012405081 167283666 /nfs/dbraw/zinc/28/36/66/167283666.db2.gz XUOJDUXXUDKAQZ-ZDUSSCGKSA-N 0 0 205.194 2.553 10 30 BFEERN C#CCN[C@H](c1ccco1)c1ccccc1 ZINC000019875624 166190668 /nfs/dbraw/zinc/19/06/68/166190668.db2.gz LNISDKYQXJOICD-AWEZNQCLSA-N 0 0 211.264 2.592 10 30 BFEERN C#Cc1nc(C#Cc2cccc(F)c2)cs1 ZINC000013680946 166225368 /nfs/dbraw/zinc/22/53/68/166225368.db2.gz SECGPKGEFXVRQQ-UHFFFAOYSA-N 0 0 227.263 2.663 10 30 in-vivo BFEERN C(=Nc1ccc2[nH]cnc2c1)c1cccnc1 ZINC000001233353 166230000 /nfs/dbraw/zinc/23/00/00/166230000.db2.gz MTZYTDHRPZHFBC-OVCLIPMQSA-N 0 0 222.251 2.709 10 30 BFEERN C=CCCOCc1ccc(C(=O)OC)cc1 ZINC000034958395 166270297 /nfs/dbraw/zinc/27/02/97/166270297.db2.gz FUKPTKREZIXLNV-UHFFFAOYSA-N 0 0 220.268 2.566 10 30 BFEERN C=CCCOc1cc(CO)nc2ccccc21 ZINC000103923357 166289225 /nfs/dbraw/zinc/28/92/25/166289225.db2.gz RONDURDWAOYISA-UHFFFAOYSA-N 0 0 229.279 2.682 10 30 BFEERN C=CCN(C(=O)c1c(C)n[nH]c1C)C1CCCC1 ZINC000037841800 166312188 /nfs/dbraw/zinc/31/21/88/166312188.db2.gz FNSPSVWHSPNJMQ-UHFFFAOYSA-N 0 0 247.342 2.597 10 30 BFEERN C=CCN(C(=O)c1ccc(N)c(C)c1)C(C)C ZINC000037817761 166312601 /nfs/dbraw/zinc/31/26/01/166312601.db2.gz IVEOWHYJASFXDM-UHFFFAOYSA-N 0 0 232.327 2.614 10 30 BFEERN C=CCN(C)C(=O)c1cc2sc(C)cc2n1C ZINC000064551638 166321131 /nfs/dbraw/zinc/32/11/31/166321131.db2.gz ZKTIPLORQKHSBD-UHFFFAOYSA-N 0 0 248.351 2.806 10 30 BFEERN C=CCN(CC=C)c1ccc(C=O)cc1F ZINC000020078881 166337889 /nfs/dbraw/zinc/33/78/89/166337889.db2.gz BSUKQYIAVUGTOC-UHFFFAOYSA-N 0 0 219.259 2.817 10 30 BFEERN C=CCN(CC=C)c1ccc(C#N)cc1F ZINC000036886627 166338018 /nfs/dbraw/zinc/33/80/18/166338018.db2.gz HFIZGBYYDPBICC-UHFFFAOYSA-N 0 0 216.259 2.876 10 30 BFEERN C=CCN(CC=C)c1[nH+]c(C)cc(C)c1C(=O)[O-] ZINC000037978182 166338994 /nfs/dbraw/zinc/33/89/94/166338994.db2.gz YUFJDSYYMVTJIK-UHFFFAOYSA-N 0 0 246.310 2.575 10 30 BFEERN C=CCNC(=O)/C(C)=C(/C)c1ccccc1 ZINC000001567587 166361350 /nfs/dbraw/zinc/36/13/50/166361350.db2.gz GCLBGKOMNXDAFZ-QXMHVHEDSA-N 0 0 215.296 2.782 10 30 BFEERN C=CCNC(=O)c1cc2c(cccc2Cl)n1C ZINC000040788714 166391691 /nfs/dbraw/zinc/39/16/91/166391691.db2.gz PEZKSINVTIWNKB-UHFFFAOYSA-N 0 0 248.713 2.748 10 30 BFEERN CC(C)CN[C@H](C#N)c1cc(F)ccc1F ZINC000037939290 167013037 /nfs/dbraw/zinc/01/30/37/167013037.db2.gz AVZIKNPQDQDDDK-GFCCVEGCSA-N 0 0 224.254 2.775 10 30 BFEERN CC(C)N[C@@H](C#N)c1ccccc1Cl ZINC000020173630 167130143 /nfs/dbraw/zinc/13/01/43/167130143.db2.gz BPMOCXIKOMPNOG-NSHDSACASA-N 0 0 208.692 2.903 10 30 BFEERN CC(C)Nc1cc(-c2ccc(C#N)cc2)[nH]n1 ZINC000062668413 167142550 /nfs/dbraw/zinc/14/25/50/167142550.db2.gz CMOHPVCYJCUNHK-UHFFFAOYSA-N 0 0 226.283 2.769 10 30 BFEERN CCN(CC)[C@@H](C#N)c1ccccc1F ZINC000019934185 169795349 /nfs/dbraw/zinc/79/53/49/169795349.db2.gz XEWURHFSEAUHLS-LBPRGKRZSA-N 0 0 206.264 2.732 10 30 BFEERN CCN(CC)[C@H](C#N)c1ccc(N(C)C)cc1 ZINC000019934476 169799131 /nfs/dbraw/zinc/79/91/31/169799131.db2.gz OCVIIZBCJDCLOL-CQSZACIVSA-N 0 0 231.343 2.659 10 30 BFEERN CC(C)n1nccc1C1=CC(=O)CCC1 ZINC000075865107 167787666 /nfs/dbraw/zinc/78/76/66/167787666.db2.gz WMDQQDDZAIAMHO-UHFFFAOYSA-N 0 0 204.273 2.600 10 30 BFEERN Cc1ccc2[nH]c(S[C@H](C)C=O)nc2c1 ZINC000616573986 411251544 /nfs/dbraw/zinc/25/15/44/411251544.db2.gz WOAFHZPRDAOLCG-MRVPVSSYSA-N 0 0 220.297 2.551 10 30 BFEERN CC1(Nc2ccc(N)cc2C#N)CCCC1 ZINC000042176550 168064513 /nfs/dbraw/zinc/06/45/13/168064513.db2.gz OCHCSAHYDCOZGT-UHFFFAOYSA-N 0 0 215.300 2.885 10 30 BFEERN CC1=C2C[C@@H]3C(C)=CC(=O)C[C@@]3(C)C[C@H]2OC1=O ZINC000096908777 168092839 /nfs/dbraw/zinc/09/28/39/168092839.db2.gz HVQUXKMKKKGSSD-NFAWXSAZSA-N 0 0 246.306 2.564 10 30 BFEERN CCC(C#N)(CC)NC(=O)c1ccc(C)nc1C ZINC000055330895 168259982 /nfs/dbraw/zinc/25/99/82/168259982.db2.gz SMKIOXXZKJYONG-UHFFFAOYSA-N 0 0 245.326 2.511 10 30 BFEERN CCN(C[C@@H](C)C#N)c1ccc(C)cc1[N+](=O)[O-] ZINC000042450101 169878971 /nfs/dbraw/zinc/87/89/71/169878971.db2.gz PUGASMCWTGVYSD-NSHDSACASA-N 0 0 247.298 2.889 10 30 BFEERN CCN[C@@H](C#N)CCN(CC)c1cccc(F)c1 ZINC000062436245 170137791 /nfs/dbraw/zinc/13/77/91/170137791.db2.gz DDAODVFPOHEFHK-CYBMUJFWSA-N 0 0 249.333 2.544 10 30 BFEERN CCN[C@@H](C#N)c1ccccc1Br ZINC000020378892 170138306 /nfs/dbraw/zinc/13/83/06/170138306.db2.gz JMGHRILUAJJDJS-JTQLQIEISA-N 0 0 239.116 2.623 10 30 BFEERN CCN[C@@H](C#N)c1cccc(Br)c1 ZINC000020176119 170138318 /nfs/dbraw/zinc/13/83/18/170138318.db2.gz NGPJZKKFLCBOKA-JTQLQIEISA-N 0 0 239.116 2.623 10 30 BFEERN CCN[C@@](C)(C#N)c1ccc(Cl)cc1 ZINC000026513820 170155505 /nfs/dbraw/zinc/15/55/05/170155505.db2.gz PPPYXGLDMWVTLU-NSHDSACASA-N 0 0 208.692 2.688 10 30 BFEERN CCN[C@H](C#N)c1ccc(OC)c(Cl)c1 ZINC000077337630 170155723 /nfs/dbraw/zinc/15/57/23/170155723.db2.gz ZRRKNBZCMCUEAS-SNVBAGLBSA-N 0 0 224.691 2.523 10 30 BFEERN CCN[C@H](C#N)CN1CCC2(CCCCC2)CC1 ZINC000061821633 170155754 /nfs/dbraw/zinc/15/57/54/170155754.db2.gz XZIYAYYJYJNHKD-CQSZACIVSA-N 0 0 249.402 2.534 10 30 BFEERN CCOC(=O)CCCCCCCCC=O ZINC000022112792 170198893 /nfs/dbraw/zinc/19/88/93/170198893.db2.gz FWPUOEGFOGZJMU-UHFFFAOYSA-N 0 0 214.305 2.869 10 30 BFEERN CCOC(=O)[C@@](C)(C#N)Cc1ccc(C)cc1 ZINC000057519408 170260147 /nfs/dbraw/zinc/26/01/47/170260147.db2.gz MATLKHGTAYPXQS-CQSZACIVSA-N 0 0 231.295 2.631 10 30 BFEERN CCOC(=O)[C@]1(CCCc2ccc(C)cc2)CO1 ZINC000040640038 170285964 /nfs/dbraw/zinc/28/59/64/170285964.db2.gz WGHXMOKFQJFZIC-HNNXBMFYSA-N 0 0 248.322 2.650 10 30 BFEERN CCOc1cc([C@H](C#N)N[C@H](C)CC)ccc1O ZINC000038064216 170528967 /nfs/dbraw/zinc/52/89/67/170528967.db2.gz QWARGHFLAGLTOJ-PWSUYJOCSA-N 0 0 248.326 2.744 10 30 BFEERN CCOc1cccc([C@H](C#N)NCC(C)C)c1 ZINC000020174927 170585585 /nfs/dbraw/zinc/58/55/85/170585585.db2.gz KFUKWRDSHSIQMY-AWEZNQCLSA-N 0 0 232.327 2.896 10 30 BFEERN CC[C@@H]1C[C@@H]1Nc1cc(C#N)ccc1C(C)=O ZINC000302133819 171122385 /nfs/dbraw/zinc/12/23/85/171122385.db2.gz ZBHMLWGKPUEQNV-YPMHNXCESA-N 0 0 228.295 2.971 10 30 BFEERN CC[C@@](C)(C#N)NC(=O)C[C@H](C)C(C)(C)C ZINC000104442256 171163542 /nfs/dbraw/zinc/16/35/42/171163542.db2.gz RYKVORHVVRGLJD-GWCFXTLKSA-N 0 0 224.348 2.867 10 30 BFEERN CC[C@H](C#N)n1nc(C)c(Br)c1C ZINC000050593253 171221495 /nfs/dbraw/zinc/22/14/95/171221495.db2.gz AYTGHFFNAOQYLN-MRVPVSSYSA-N 0 0 242.120 2.737 10 30 BFEERN CC[C@H](C)C(=O)NC1(C#N)CCCCCC1 ZINC000040221686 171250176 /nfs/dbraw/zinc/25/01/76/171250176.db2.gz UVBBNWUMVHOHAJ-NSHDSACASA-N 0 0 222.332 2.765 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1cccc(F)c1 ZINC000038064209 171344703 /nfs/dbraw/zinc/34/47/03/171344703.db2.gz NDNQBUUJZXILLW-CABZTGNLSA-N 0 0 206.264 2.778 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1ccc(C#N)cc1 ZINC000038064635 171347049 /nfs/dbraw/zinc/34/70/49/171347049.db2.gz CJDSHKRTTOSYND-GXFFZTMASA-N 0 0 213.284 2.511 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1ccccc1F ZINC000038064373 171347158 /nfs/dbraw/zinc/34/71/58/171347158.db2.gz ISKXYHCDHQZGAO-JOYOIKCWSA-N 0 0 206.264 2.778 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1ccc(F)c(F)c1 ZINC000038064253 171347231 /nfs/dbraw/zinc/34/72/31/171347231.db2.gz WTKXSTLTHBVNKC-QPUJVOFHSA-N 0 0 224.254 2.918 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1cc(OC)ccc1OC ZINC000038064357 171347526 /nfs/dbraw/zinc/34/75/26/171347526.db2.gz HZCDHBSGTTVGIJ-GXFFZTMASA-N 0 0 248.326 2.657 10 30 BFEERN CC[C@H](C)[C@H](C)Nc1ccc(C#N)cc1N ZINC000042552613 171391556 /nfs/dbraw/zinc/39/15/56/171391556.db2.gz YKPQYZAAYHYBLF-UWVGGRQHSA-N 0 0 217.316 2.987 10 30 BFEERN CC[C@H](Nc1ncccc1C#N)C(C)C ZINC000042591157 171553001 /nfs/dbraw/zinc/55/30/01/171553001.db2.gz SSVRHYQCGMHRTP-NSHDSACASA-N 0 0 203.289 2.800 10 30 BFEERN CC[C@H]1CCCN1c1ccc(N)cc1C#N ZINC000041021206 171622030 /nfs/dbraw/zinc/62/20/30/171622030.db2.gz ARDBVWRGDZZBKW-LBPRGKRZSA-N 0 0 215.300 2.519 10 30 BFEERN CCc1csc(Oc2ccc(C#N)cc2N)n1 ZINC000061894794 171934039 /nfs/dbraw/zinc/93/40/39/171934039.db2.gz AHQMKBVXDWPHKH-UHFFFAOYSA-N 0 0 245.307 2.952 10 30 BFEERN CCc1nc2ccccc2n1C[C@H](C)C#N ZINC000057461022 172014222 /nfs/dbraw/zinc/01/42/22/172014222.db2.gz QXWVIAIUDLLYQP-SNVBAGLBSA-N 0 0 213.284 2.758 10 30 BFEERN CCc1nccn1[C@@H]1CCCC[C@@H]1C#N ZINC000042419829 172028844 /nfs/dbraw/zinc/02/88/44/172028844.db2.gz UDHKDGGWVYRMCS-GHMZBOCLSA-N 0 0 203.289 2.700 10 30 BFEERN CCn1c2ccc(F)cc2nc1CS ZINC000071744080 172145150 /nfs/dbraw/zinc/14/51/50/172145150.db2.gz VNXFMVNNHHURIA-UHFFFAOYSA-N 0 0 210.277 2.625 10 30 BFEERN CN(C)/C=N\c1nc2ccc(F)cc2s1 ZINC000004300182 172351647 /nfs/dbraw/zinc/35/16/47/172351647.db2.gz ITZRNAFQNFQYPY-SDQBBNPISA-N 0 0 223.276 2.657 10 30 BFEERN CN(CCc1cccnc1)c1cccc(C#N)c1 ZINC000063222600 172787822 /nfs/dbraw/zinc/78/78/22/172787822.db2.gz XWWQGTZYXDMKTD-UHFFFAOYSA-N 0 0 237.306 2.632 10 30 BFEERN CN(c1ccccc1)c1ccc(C#N)cc1N ZINC000035674161 172950412 /nfs/dbraw/zinc/95/04/12/172950412.db2.gz KSLACLJVNAOMDY-UHFFFAOYSA-N 0 0 223.279 2.908 10 30 BFEERN COCCCCCNc1cc(C)nc(C)c1C#N ZINC000227593471 174184623 /nfs/dbraw/zinc/18/46/23/174184623.db2.gz NWJXWHSMYRUXDT-UHFFFAOYSA-N 0 0 247.342 2.799 10 30 BFEERN COCCN(CC(C)C)c1ccccc1C#N ZINC000042370713 174288209 /nfs/dbraw/zinc/28/82/09/174288209.db2.gz BPSDWWLAKBIUFH-UHFFFAOYSA-N 0 0 232.327 2.667 10 30 BFEERN COc1cc(C#N)ccc1OCc1ccncc1 ZINC000019478979 174944216 /nfs/dbraw/zinc/94/42/16/174944216.db2.gz JWJPWGZAWVQJQL-UHFFFAOYSA-N 0 0 240.262 2.541 10 30 BFEERN COc1cc(OC)cc(OCCCCS)c1 ZINC000041286961 175010212 /nfs/dbraw/zinc/01/02/12/175010212.db2.gz FEUBJHWEVAEJDI-UHFFFAOYSA-N 0 0 242.340 2.793 10 30 BFEERN COc1cc2c(C#N)c3n(c2cc1C)CCC3 ZINC000082293369 175019010 /nfs/dbraw/zinc/01/90/10/175019010.db2.gz DUHRKDXFLOVHPI-UHFFFAOYSA-N 0 0 226.279 2.776 10 30 BFEERN COc1ccc(/C=C2/Nc3ccccc3C2=O)[nH]1 ZINC000045817531 175048258 /nfs/dbraw/zinc/04/82/58/175048258.db2.gz WVEUYBNGPCHZGE-XYOKQWHBSA-N 0 0 240.262 2.673 10 30 BFEERN COc1ccc(/N=C\C(F)(F)F)cc1 ZINC000043464504 175049779 /nfs/dbraw/zinc/04/97/79/175049779.db2.gz CHWGIYHMKDEQNL-MLPAPPSSSA-N 0 0 203.163 2.960 10 30 BFEERN COc1ccc(/N=C/C(F)(F)F)cc1 ZINC000100349517 175049983 /nfs/dbraw/zinc/04/99/83/175049983.db2.gz CHWGIYHMKDEQNL-AWNIVKPZSA-N 0 0 203.163 2.960 10 30 BFEERN COc1ccc(C#Cc2ccccc2)c(CO)c1 ZINC000098177855 175051366 /nfs/dbraw/zinc/05/13/66/175051366.db2.gz PAZYXZAFPAUIOO-UHFFFAOYSA-N 0 0 238.286 2.587 10 30 BFEERN COc1ccc(C)cc1N[C@@H](C)CC#N ZINC000032010306 175078512 /nfs/dbraw/zinc/07/85/12/175078512.db2.gz FPPDPVOOTMCHRW-JTQLQIEISA-N 0 0 204.273 2.718 10 30 BFEERN COc1ccc(C2=CC(=O)CC2)cc1F ZINC000077299358 175084537 /nfs/dbraw/zinc/08/45/37/175084537.db2.gz IYJDAOYRFVRJCL-UHFFFAOYSA-N 0 0 206.216 2.581 10 30 BFEERN COc1ccc(C2=CC(=O)CCC2)cc1F ZINC000075864745 175084767 /nfs/dbraw/zinc/08/47/67/175084767.db2.gz OYFVDYOVCPAPBF-UHFFFAOYSA-N 0 0 220.243 2.971 10 30 BFEERN COc1ccc(CC(C)(C)C#N)cc1OC ZINC000049804155 175087712 /nfs/dbraw/zinc/08/77/12/175087712.db2.gz DGTSJHNGHCDTDI-UHFFFAOYSA-N 0 0 219.284 2.796 10 30 BFEERN COc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1F ZINC000061890936 175109968 /nfs/dbraw/zinc/10/99/68/175109968.db2.gz QDDOGXAOUHWAOS-WCQYABFASA-N 0 0 248.301 2.616 10 30 BFEERN COc1ccc(Cl)c(NCCC#N)c1 ZINC000043317726 175119031 /nfs/dbraw/zinc/11/90/31/175119031.db2.gz NRXJJOSPXSPWCG-UHFFFAOYSA-N 0 0 210.664 2.674 10 30 BFEERN COc1ccc(NC[C@H](C)C#N)cc1C ZINC000049530073 175151344 /nfs/dbraw/zinc/15/13/44/175151344.db2.gz IDEFIOMUVONSJI-SECBINFHSA-N 0 0 204.273 2.575 10 30 BFEERN COc1ccc(NC[C@H](C)C#N)cc1Cl ZINC000032014892 175151420 /nfs/dbraw/zinc/15/14/20/175151420.db2.gz QONKIOFUQRBTLK-MRVPVSSYSA-N 0 0 224.691 2.920 10 30 BFEERN COc1ccc(NC[C@@H](C)C#N)cc1C ZINC000049530072 175151638 /nfs/dbraw/zinc/15/16/38/175151638.db2.gz IDEFIOMUVONSJI-VIFPVBQESA-N 0 0 204.273 2.575 10 30 BFEERN COc1ccc(N[C@@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000054823121 175153840 /nfs/dbraw/zinc/15/38/40/175153840.db2.gz MGCOKYBPQBMBSX-CMPLNLGQSA-N 0 0 246.310 2.808 10 30 BFEERN COc1ccc(N[C@H](C#N)C(C)C)cc1 ZINC000034559931 175154590 /nfs/dbraw/zinc/15/45/90/175154590.db2.gz HNDVYARNAYTDDV-GFCCVEGCSA-N 0 0 204.273 2.655 10 30 BFEERN COc1ccc(N[C@H](C)CC#N)cc1C ZINC000049530124 175154995 /nfs/dbraw/zinc/15/49/95/175154995.db2.gz UVBWNKRVRDUNKV-SNVBAGLBSA-N 0 0 204.273 2.718 10 30 BFEERN COc1ccc2[nH]cc(C(C)(C)C#N)c2c1 ZINC000095936817 175201571 /nfs/dbraw/zinc/20/15/71/175201571.db2.gz ZHDVNWHEEPLIBL-UHFFFAOYSA-N 0 0 214.268 2.978 10 30 BFEERN COc1ccc2cc(C#CCCO)ccc2c1 ZINC000042477832 175223644 /nfs/dbraw/zinc/22/36/44/175223644.db2.gz KRYWCSWTTFHJNM-UHFFFAOYSA-N 0 0 226.275 2.582 10 30 BFEERN COc1cccc(NCc2cccc(C#N)c2)n1 ZINC000083366984 175279534 /nfs/dbraw/zinc/27/95/34/175279534.db2.gz IYXCFZKDEDLWAC-UHFFFAOYSA-N 0 0 239.278 2.574 10 30 BFEERN COc1cccc(N[C@]2(C#N)CCSC2)c1 ZINC000037937693 175279761 /nfs/dbraw/zinc/27/97/61/175279761.db2.gz BPELEJPHMABTBW-LBPRGKRZSA-N 0 0 234.324 2.506 10 30 BFEERN COc1cccc(N[C@H]2CCC[C@@H]2C#N)c1 ZINC000054824306 175280341 /nfs/dbraw/zinc/28/03/41/175280341.db2.gz OYOONFKMBUUDNA-MFKMUULPSA-N 0 0 216.284 2.799 10 30 BFEERN COc1cccc([C@@H](C#N)NCC(C)C)c1 ZINC000020173277 175285382 /nfs/dbraw/zinc/28/53/82/175285382.db2.gz HJPUJFSJNZGCKI-CYBMUJFWSA-N 0 0 218.300 2.505 10 30 BFEERN COc1cccc([C@@H](C#N)C(=O)CC(C)C)c1 ZINC000040907840 175286000 /nfs/dbraw/zinc/28/60/00/175286000.db2.gz HETQJAPLQXOPTC-CYBMUJFWSA-N 0 0 231.295 2.918 10 30 BFEERN COc1cccc([C@H](C#N)N2CCCCC2)c1 ZINC000019934320 175291821 /nfs/dbraw/zinc/29/18/21/175291821.db2.gz OACWYKQOEJKMRK-AWEZNQCLSA-N 0 0 230.311 2.746 10 30 BFEERN COc1ccccc1-c1cc(O)cc(C#N)c1 ZINC000065341342 175309414 /nfs/dbraw/zinc/30/94/14/175309414.db2.gz IPOFDYVHCTULTH-UHFFFAOYSA-N 0 0 225.247 2.939 10 30 BFEERN COc1ccccc1Cc1nc(CC#N)cs1 ZINC000061798220 175334919 /nfs/dbraw/zinc/33/49/19/175334919.db2.gz OHOXUQXIYZOYFI-UHFFFAOYSA-N 0 0 244.319 2.809 10 30 BFEERN COc1ccccc1Oc1ccc(C#N)cc1N ZINC000035674877 175342330 /nfs/dbraw/zinc/34/23/30/175342330.db2.gz UZUMICXTGGBAQA-UHFFFAOYSA-N 0 0 240.262 2.941 10 30 BFEERN COc1ccccc1C(C#N)C(F)(F)F ZINC000033606987 175343589 /nfs/dbraw/zinc/34/35/89/175343589.db2.gz SWVVGQSOWXDMQT-MRVPVSSYSA-N 0 0 215.174 2.865 10 30 BFEERN C[C@@H](c1ccc(Cl)s1)[C@@H](C#N)N(C)C ZINC000041250754 176013914 /nfs/dbraw/zinc/01/39/14/176013914.db2.gz LJPPTDGVHZCECU-HTQZYQBOSA-N 0 0 228.748 2.959 10 30 BFEERN C[C@@H]1CCCCN1C(=O)[C@H](C#N)c1ccccc1 ZINC000061613905 176067636 /nfs/dbraw/zinc/06/76/36/176067636.db2.gz WYAFKDNLQMZPGR-TZMCWYRMSA-N 0 0 242.322 2.695 10 30 BFEERN C[C@@H]1CCCCN1C(=O)[C@@H](C#N)c1ccccc1 ZINC000061613903 176067991 /nfs/dbraw/zinc/06/79/91/176067991.db2.gz WYAFKDNLQMZPGR-OCCSQVGLSA-N 0 0 242.322 2.695 10 30 BFEERN C[C@@H]1CCCC[C@@H]1Oc1ccc(/C(N)=N/O)cc1 ZINC000019866155 176082610 /nfs/dbraw/zinc/08/26/10/176082610.db2.gz YOYCXYUFWMNWRN-MFKMUULPSA-N 0 0 248.326 2.739 10 30 BFEERN C[C@@H]1CCC[C@@H](C)N1/N=C/c1ccc(O)c(O)c1 ZINC000006586377 176114695 /nfs/dbraw/zinc/11/46/95/176114695.db2.gz YSLIHMORGMIAII-SCVIVROUSA-N 0 0 248.326 2.695 10 30 BFEERN C[C@@H]1CCC[C@](C#N)(NC2CCCC2)C1 ZINC000037968409 176151301 /nfs/dbraw/zinc/15/13/01/176151301.db2.gz MTCYMHPRRPTCIL-YPMHNXCESA-N 0 0 206.333 2.991 10 30 BFEERN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1S ZINC000073654906 176252987 /nfs/dbraw/zinc/25/29/87/176252987.db2.gz JUGWHHKIXZGOAD-RKDXNWHRSA-N 0 0 231.361 2.562 10 30 BFEERN C[C@@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1C#N ZINC000070268737 176387287 /nfs/dbraw/zinc/38/72/87/176387287.db2.gz UGMCPWLQZWUGME-XCBNKYQSSA-N 0 0 234.686 2.806 10 30 BFEERN C[C@@](N)(C#N)c1cc(Cl)ccc1Cl ZINC000022223682 176510239 /nfs/dbraw/zinc/51/02/39/176510239.db2.gz DNXPBZXMGXUMET-SECBINFHSA-N 0 0 215.083 2.691 10 30 BFEERN C[C@H](C#N)CN(C)c1ccc(N)cc1Cl ZINC000044413458 176552658 /nfs/dbraw/zinc/55/26/58/176552658.db2.gz BEZHDUJBGCDUAR-MRVPVSSYSA-N 0 0 223.707 2.518 10 30 BFEERN C[C@H](Nc1nccnc1C#N)c1cccc(F)c1 ZINC000054378042 176940137 /nfs/dbraw/zinc/94/01/37/176940137.db2.gz ADIRCNIEXWMFGF-VIFPVBQESA-N 0 0 242.257 2.660 10 30 BFEERN C[C@H](OC(C)(C)C)C(=O)Nc1ccccc1C#N ZINC000020514541 177020318 /nfs/dbraw/zinc/02/03/18/177020318.db2.gz MSJXCNWBUYHLNO-JTQLQIEISA-N 0 0 246.310 2.700 10 30 BFEERN C[C@H]1CC=CC[C@H]1COc1ccnc(C#N)c1 ZINC000061815388 177069021 /nfs/dbraw/zinc/06/90/21/177069021.db2.gz GRUKAUUCOBATLX-RYUDHWBXSA-N 0 0 228.295 2.934 10 30 BFEERN C[C@H]1CCCC[C@@H]1N(C)c1ncc(N)cc1C#N ZINC000042603329 177081701 /nfs/dbraw/zinc/08/17/01/177081701.db2.gz QVSFBLLKIAOPDH-GWCFXTLKSA-N 0 0 244.342 2.550 10 30 BFEERN C[C@H]1CCC[C@@H](Oc2cc(C#N)ccn2)C1 ZINC000020514251 177123586 /nfs/dbraw/zinc/12/35/86/177123586.db2.gz JKDFQZAPJWGKLP-CMPLNLGQSA-N 0 0 216.284 2.911 10 30 BFEERN C[C@H]1CCC[C@@H](Oc2ccc(/C(N)=N/O)cc2)C1 ZINC000020516281 177123589 /nfs/dbraw/zinc/12/35/89/177123589.db2.gz ZHWCGSNRJUIDEC-GXFFZTMASA-N 0 0 248.326 2.739 10 30 BFEERN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1S ZINC000073654907 177222414 /nfs/dbraw/zinc/22/24/14/177222414.db2.gz JUGWHHKIXZGOAD-DTWKUNHWSA-N 0 0 231.361 2.562 10 30 BFEERN C[C@H]1CN=C(Nc2cccc3ncccc32)S1 ZINC000035294598 177278959 /nfs/dbraw/zinc/27/89/59/177278959.db2.gz FKZVXSRXWGKRHT-VIFPVBQESA-N 0 0 243.335 2.947 10 30 BFEERN C[C@H]1C[C@@H]1C(=O)N(CCC#N)c1ccccc1 ZINC000019504801 177340240 /nfs/dbraw/zinc/34/02/40/177340240.db2.gz XPRSCMAIQKVCEN-AAEUAGOBSA-N 0 0 228.295 2.589 10 30 BFEERN C[C@H]1C[C@H]1Nc1c(C#N)cnc2ccccc21 ZINC000052291453 177386296 /nfs/dbraw/zinc/38/62/96/177386296.db2.gz PPWHRBRWIOWECE-TVQRCGJNSA-N 0 0 223.279 2.927 10 30 BFEERN C[Si](C)(C)C#CCCO[C@@H]1CCCCO1 ZINC000195919867 177497592 /nfs/dbraw/zinc/49/75/92/177497592.db2.gz XMDXJAUDCZGXHY-GFCCVEGCSA-N 0 0 226.392 2.801 10 30 BFEERN Cc1c(Cl)cccc1N(C)CCC#N ZINC000049814374 177600922 /nfs/dbraw/zinc/60/09/22/177600922.db2.gz CCDUPAZNEBOHDY-UHFFFAOYSA-N 0 0 208.692 2.998 10 30 BFEERN C[C@@H]1CC[C@@](O)(c2ccccc2C#N)C1 ZINC000521400573 262779136 /nfs/dbraw/zinc/77/91/36/262779136.db2.gz AZUXUMOKRPLQNO-MFKMUULPSA-N 0 0 201.269 2.566 10 30 BFEERN N#Cc1nccc2c(F)ccc(Cl)c12 ZINC000521402035 268323743 /nfs/dbraw/zinc/32/37/43/268323743.db2.gz SUIPPBNLVNACDM-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN CC(C)(C)c1cc(C#N)c(OC2CC2)cn1 ZINC000095735011 269598351 /nfs/dbraw/zinc/59/83/51/269598351.db2.gz NQWQQIKYVFQIFM-UHFFFAOYSA-N 0 0 216.284 2.792 10 30 BFEERN C=C(C)CNC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161276446 323485347 /nfs/dbraw/zinc/48/53/47/323485347.db2.gz WYTCTKCGSUZQJO-OLZOCXBDSA-N 0 0 221.344 2.895 10 30 BFEERN CC1(C)C[C@H](NCCC#N)c2ccccc2O1 ZINC000162990187 324191767 /nfs/dbraw/zinc/19/17/67/324191767.db2.gz AZMAHIYKEHOUQV-LBPRGKRZSA-N 0 0 230.311 2.792 10 30 BFEERN CC(C)c1ccc([C@H](C)NCC#N)cc1 ZINC000073619546 325207738 /nfs/dbraw/zinc/20/77/38/325207738.db2.gz YQQLGCAYOLSZDH-NSHDSACASA-N 0 0 202.301 2.984 10 30 BFEERN C=C[C@H](C)N1C(=S)N=NC1C1CCC1 ZINC000757134483 582511672 /nfs/dbraw/zinc/51/16/72/582511672.db2.gz XTAKTWZKCKGHCE-ZETCQYMHSA-N 0 0 209.318 2.581 10 30 BFEERN C[C@@H](S)c1ccc(-n2ccnc2)cc1 ZINC000757158798 582541051 /nfs/dbraw/zinc/54/10/51/582541051.db2.gz APVLSXSYODFBAN-SECBINFHSA-N 0 0 204.298 2.863 10 30 BFEERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1S ZINC000757163929 582545453 /nfs/dbraw/zinc/54/54/53/582545453.db2.gz UWIZLXIADAWCJY-IUCAKERBSA-N 0 0 231.361 2.610 10 30 BFEERN CC(C)(C)c1ccc([C@H](N)CC#N)cc1 ZINC000071508489 517392542 /nfs/dbraw/zinc/39/25/42/517392542.db2.gz BFNFYNMYZJUYHU-GFCCVEGCSA-N 0 0 202.301 2.898 10 30 BFEERN CC(C)=C(C)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000017379230 518585134 /nfs/dbraw/zinc/58/51/34/518585134.db2.gz PYJMUBOMIQFUBG-XFXZXTDPSA-N 0 0 219.244 2.959 10 30 BFEERN C=C[C@@H]1C=C[C@H]2[C@@H]1[C@@H]1C[C@H]2C[C@]1(C)C(=O)OC ZINC000253592326 519296039 /nfs/dbraw/zinc/29/60/39/519296039.db2.gz SKTHWNMNKDLRMY-BFWDZPHWSA-N 0 0 232.323 2.810 10 30 BFEERN C=C[C@@H]1C=C[C@@H]2[C@H]3C[C@@H]([C@@H]12)[C@@](C)(C(=O)OC)C3 ZINC000253592331 519296476 /nfs/dbraw/zinc/29/64/76/519296476.db2.gz SKTHWNMNKDLRMY-WZUGGRCDSA-N 0 0 232.323 2.810 10 30 BFEERN CC(=NO)c1cccc(Br)c1 ZINC000252370131 519352162 /nfs/dbraw/zinc/35/21/62/519352162.db2.gz TUEQLTCSWQPJIV-UHFFFAOYSA-N 0 0 214.062 2.647 10 30 BFEERN C[C@](C#N)(NCc1ccccc1)C(F)(F)F ZINC000114869168 525137004 /nfs/dbraw/zinc/13/70/04/525137004.db2.gz MPAROUWNDUJMKM-SNVBAGLBSA-N 0 0 228.217 2.621 10 30 BFEERN Cc1ccsc1C1=CC(=O)C[C@](C)(O)C1 ZINC000040538560 525830280 /nfs/dbraw/zinc/83/02/80/525830280.db2.gz XUIBQFXIHVVPEK-GFCCVEGCSA-N 0 0 222.309 2.554 10 30 BFEERN CCCc1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333794179 535565974 /nfs/dbraw/zinc/56/59/74/535565974.db2.gz DYSQLBRLAKDIKD-ZDUSSCGKSA-N 0 0 231.299 2.748 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000234595272 582460889 /nfs/dbraw/zinc/46/08/89/582460889.db2.gz YIJDLNXGFFGTAQ-AXTRIDKLSA-N 0 0 246.734 2.710 10 30 BFEERN COC(=O)[C@@]1(Cl)O[C@]12CCCC(C)(C)CC2 ZINC000234591835 582461154 /nfs/dbraw/zinc/46/11/54/582461154.db2.gz ZPFYFHCYCDGNHS-NWDGAFQWSA-N 0 0 246.734 2.854 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000234600590 582461827 /nfs/dbraw/zinc/46/18/27/582461827.db2.gz YIJDLNXGFFGTAQ-UWJYBYFXSA-N 0 0 246.734 2.710 10 30 BFEERN C=C[C@H](C)N1C(=S)N=NC1c1ccccc1 ZINC000757132951 582508609 /nfs/dbraw/zinc/50/86/09/582508609.db2.gz RIQMZLHXFITNTO-VIFPVBQESA-N 0 0 231.324 2.981 10 30 BFEERN C=C[C@H](C)NC(=S)NCc1ccc(C)cc1 ZINC000757133235 582509731 /nfs/dbraw/zinc/50/97/31/582509731.db2.gz HKTBMBDLYDILHN-NSHDSACASA-N 0 0 234.368 2.534 10 30 BFEERN C[C@H]1[C@H](S)CCCN1C(=O)OC(C)(C)C ZINC000757159891 582540995 /nfs/dbraw/zinc/54/09/95/582540995.db2.gz IHZHEYUSRLOSHN-DTWKUNHWSA-N 0 0 231.361 2.704 10 30 BFEERN CC(C)[C@@H](CS)CNC(=O)OC(C)(C)C ZINC000757163858 582544991 /nfs/dbraw/zinc/54/49/91/582544991.db2.gz SUWBBVRHUJHBLP-SECBINFHSA-N 0 0 233.377 2.713 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H]1C[C@H](S)C12CCC2 ZINC000757163075 582545394 /nfs/dbraw/zinc/54/53/94/582545394.db2.gz KNXCQCIAIDFMGJ-BDAKNGLRSA-N 0 0 243.372 2.752 10 30 BFEERN CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](S)C1 ZINC000757163957 582545849 /nfs/dbraw/zinc/54/58/49/582545849.db2.gz VVYMLJWEQZPDIJ-DTWKUNHWSA-N 0 0 231.361 2.610 10 30 BFEERN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1S ZINC000757164079 582545930 /nfs/dbraw/zinc/54/59/30/582545930.db2.gz XXMQRYRMMCBOTK-ZJUUUORDSA-N 0 0 245.388 3.000 10 30 BFEERN CCc1ccc(CSCC[C@H]2CO2)o1 ZINC000757171581 582551465 /nfs/dbraw/zinc/55/14/65/582551465.db2.gz UUXFSIGFAKDQCH-JTQLQIEISA-N 0 0 212.314 2.864 10 30 BFEERN CCCCCCCC[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000113394975 588838024 /nfs/dbraw/zinc/83/80/24/588838024.db2.gz WSTOGSCHDPUKGU-CHWSQXEVSA-N 0 0 241.375 2.999 10 30 BFEERN N#Cc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)c(CO)c1 ZINC000894358954 583436949 /nfs/dbraw/zinc/43/69/49/583436949.db2.gz JYZZRJXPLCZWNZ-NJZAAPMLSA-N 0 0 242.322 2.651 10 30 BFEERN SCc1cscc1Br ZINC000757162043 586431519 /nfs/dbraw/zinc/43/15/19/586431519.db2.gz AXLZYDLSSPNNJU-UHFFFAOYSA-N 0 0 209.133 2.940 10 30 BFEERN CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)S ZINC000757166641 586432727 /nfs/dbraw/zinc/43/27/27/586432727.db2.gz WMNFYQLHJKTLAC-JGVFFNPUSA-N 0 0 219.350 2.608 10 30 BFEERN C=CCc1ccccc1OC(=O)[C@H]1CC[C@@H](C)O1 ZINC000121425953 587809615 /nfs/dbraw/zinc/80/96/15/587809615.db2.gz IDQKQWKQULWNLL-BXUZGUMPSA-N 0 0 246.306 2.888 10 30 BFEERN C/C(=C\c1ccc(Cl)cc1)C(=O)N[C@H](C)C#N ZINC000119200874 589250351 /nfs/dbraw/zinc/25/03/51/589250351.db2.gz QKSWJBJRMCAMDG-TTZKWOQHSA-N 0 0 248.713 2.772 10 30 BFEERN Oc1ccccc1/C=N\[C@@H]1COc2ccccc21 ZINC000255563811 632059612 /nfs/dbraw/zinc/05/96/12/632059612.db2.gz UPFVRBUVJMNIDB-WPBJZHHJSA-N 0 0 239.274 2.945 10 30 BFEERN C/C(=C/c1cccc(Cl)c1)C(=O)N[C@H](C)C#N ZINC000255643214 632676522 /nfs/dbraw/zinc/67/65/22/632676522.db2.gz YVFIIVDYCMWTPE-ABRRARGCSA-N 0 0 248.713 2.772 10 30 BFEERN N#Cc1ccc(-c2ccc(C=O)o2)s1 ZINC000236416146 632935408 /nfs/dbraw/zinc/93/54/08/632935408.db2.gz CBJYBMLKJCQAEG-UHFFFAOYSA-N 0 0 203.222 2.692 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(Cl)n1 ZINC000309476552 633138813 /nfs/dbraw/zinc/13/88/13/633138813.db2.gz CBWCGSGQZCMHHE-ONGXEEELSA-N 0 0 235.718 2.517 10 30 BFEERN C=CCCCCCn1ccc([C@H](C)O)n1 ZINC000195394487 636065728 /nfs/dbraw/zinc/06/57/28/636065728.db2.gz PYQPXMXTIKFPHV-NSHDSACASA-N 0 0 208.305 2.683 10 30 BFEERN COc1ccccc1-c1cc(CS)no1 ZINC000057951912 640649896 /nfs/dbraw/zinc/64/98/96/640649896.db2.gz RXCVFYISCZMODB-UHFFFAOYSA-N 0 0 221.281 2.780 10 30 BFEERN COC1CC(Nc2cc(Cl)ccc2C#N)C1 ZINC000230595251 641069828 /nfs/dbraw/zinc/06/98/28/641069828.db2.gz ZZBFRSGDVJUCKU-UHFFFAOYSA-N 0 0 236.702 2.801 10 30 BFEERN CC(C)(C)OC(=O)N1CCC[C@@H](S)CC1 ZINC000231489121 641178880 /nfs/dbraw/zinc/17/88/80/641178880.db2.gz DPLVKMBMIUTPST-SECBINFHSA-N 0 0 231.361 2.706 10 30 BFEERN C#CCCOC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000174058148 641233284 /nfs/dbraw/zinc/23/32/84/641233284.db2.gz CQXZVXUJTMGREG-STQMWFEESA-N 0 0 220.312 2.769 10 30 BFEERN C#CCCCNC(=O)NC1CCC(CC)CC1 ZINC000174076741 641237103 /nfs/dbraw/zinc/23/71/03/641237103.db2.gz UGCOMLWQILLKAZ-UHFFFAOYSA-N 0 0 236.359 2.668 10 30 BFEERN C=CCC[C@H](OC(=O)[C@@H]1CC[C@H](C)O1)C1CC1 ZINC000159647444 641691643 /nfs/dbraw/zinc/69/16/43/641691643.db2.gz VPNHYHDXGIDBOZ-DRZSPHRISA-N 0 0 238.327 2.842 10 30 BFEERN CCCCCCCC(=O)NC[C@H](O)C(C)(C)C ZINC000324505545 641875816 /nfs/dbraw/zinc/87/58/16/641875816.db2.gz OYGVTOOZGTUASE-LBPRGKRZSA-N 0 0 243.391 2.870 10 30 BFEERN COc1ccc(CS)c(Br)c1 ZINC000078069168 641896949 /nfs/dbraw/zinc/89/69/49/641896949.db2.gz IAEDTSXWNQSOTE-UHFFFAOYSA-N 0 0 233.130 2.888 10 30 BFEERN CC(C)C(=O)/C=C\c1cccc([N+](=O)[O-])c1 ZINC000199276039 644186675 /nfs/dbraw/zinc/18/66/75/644186675.db2.gz FGSXZPRPTZMQTM-SREVYHEPSA-N 0 0 219.240 2.833 10 30 BFEERN SCc1cc2c(c(Br)c1)OCO2 ZINC000086895258 644266755 /nfs/dbraw/zinc/26/67/55/644266755.db2.gz KWYPXJPSKJMVIH-UHFFFAOYSA-N 0 0 247.113 2.608 10 30 BFEERN COc1cc([C@H](C)S)cc(OC)c1OC ZINC000086895223 644473652 /nfs/dbraw/zinc/47/36/52/644473652.db2.gz DBPPVJLGMCDURL-ZETCQYMHSA-N 0 0 228.313 2.703 10 30 BFEERN CC(=NO)c1ccc(Br)s1 ZINC000252369936 644848194 /nfs/dbraw/zinc/84/81/94/644848194.db2.gz GGNDYUAZNCRVDC-UHFFFAOYSA-N 0 0 220.091 2.709 10 30 BFEERN CCCCCCCCC(=O)N1CC=CCN1 ZINC000705237637 712124868 /nfs/dbraw/zinc/12/48/68/712124868.db2.gz NBHLZXZOARRNHI-UHFFFAOYSA-N 0 0 224.348 2.640 10 30 BFEERN C=C(Br)COC(=O)[C@@H]1CCC[C@H]1C ZINC000379379738 712379912 /nfs/dbraw/zinc/37/99/12/712379912.db2.gz BGRQUDRWTDDNJR-VXNVDRBHSA-N 0 0 247.132 2.874 10 30 BFEERN CC(=O)[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000111691111 712688196 /nfs/dbraw/zinc/68/81/96/712688196.db2.gz CJIFKEOGETZTPD-GFCCVEGCSA-N 0 0 246.285 2.503 10 30 BFEERN CC1(C)CCC/C(=C\c2cocn2)C1=O ZINC000588578789 959336014 /nfs/dbraw/zinc/33/60/14/959336014.db2.gz JWEGSVKWRWUVQB-RMKNXTFCSA-N 0 0 205.257 2.837 10 30 BFEERN O=C1c2ccc(O)cc2CC/C1=C/c1cocn1 ZINC000588561449 959176476 /nfs/dbraw/zinc/17/64/76/959176476.db2.gz STUNNFYDKUVOTL-YHYXMXQVSA-N 0 0 241.246 2.593 10 30 BFEERN C#CCOc1ccccc1OC(=O)/C(=C\C)CC ZINC000588569892 959252197 /nfs/dbraw/zinc/25/21/97/959252197.db2.gz PGDDKTOGVZNFGP-XGICHPGQSA-N 0 0 244.290 2.960 10 30 BFEERN Cc1cccc(C(=O)/C=C\c2cocn2)c1 ZINC000588579226 959337569 /nfs/dbraw/zinc/33/75/69/959337569.db2.gz JXUWKEOEMFFEIR-WAYWQWQTSA-N 0 0 213.236 2.879 10 30 BFEERN O=C1c2c(cc(F)cc2F)O/C1=C\c1cocn1 ZINC000588580135 959348938 /nfs/dbraw/zinc/34/89/38/959348938.db2.gz DSDXEGCWYLIDOH-KMKOMSMNSA-N 0 0 249.172 2.569 10 30 BFEERN C=CCCCCC[N@H+]1CC[C@H](C)[C@H](C(=O)[O-])C1 ZINC000822088959 969199406 /nfs/dbraw/zinc/19/94/06/969199406.db2.gz XDUAXXJSXBPHBC-QWHCGFSZSA-N 0 0 239.359 2.775 10 30 BFEERN C=C[C@H](C(=O)[O-])[NH+]1CCC(C2CCCC2)CC1 ZINC000708862072 977446935 /nfs/dbraw/zinc/44/69/35/977446935.db2.gz FCOFNJVEXRBRBO-CYBMUJFWSA-N 0 0 237.343 2.528 10 30 BFEERN CC(C)(C)OC(=O)C#C[C@@H]1CCCC12CC2 ZINC000685954418 538898179 /nfs/dbraw/zinc/89/81/79/538898179.db2.gz WUFKPYBMZXQZPF-NSHDSACASA-N 0 0 220.312 2.912 10 30 BFEERN Cc1cc(C#CC(=O)OC(C)(C)C)oc1C ZINC000685953715 538898865 /nfs/dbraw/zinc/89/88/65/538898865.db2.gz PDVFSKDXEONVHZ-UHFFFAOYSA-N 0 0 220.268 2.590 10 30 BFEERN C[C@H]1CC[C@@H](C#CC(=O)OC(C)(C)C)C1 ZINC000685952782 538897034 /nfs/dbraw/zinc/89/70/34/538897034.db2.gz CZLHDBVSGDRPMC-QWRGUYRKSA-N 0 0 208.301 2.768 10 30 BFEERN CCC(CC)(CO)N[C@@H](CC#N)c1ccccc1 ZINC000055019266 168330089 /nfs/dbraw/zinc/33/00/89/168330089.db2.gz VXQBTOYOQIVFCZ-AWEZNQCLSA-N 0 0 246.354 2.782 10 30 BFEERN Cc1cc(Cl)ccc1OCCC/C(N)=N/O ZINC000019471389 178068676 /nfs/dbraw/zinc/06/86/76/178068676.db2.gz XPNAZTICXUUWLS-UHFFFAOYSA-N 0 0 242.706 2.554 10 30 BFEERN Cc1cc(N)ccc1SCCCC#N ZINC000037193922 178106868 /nfs/dbraw/zinc/10/68/68/178106868.db2.gz ZYPGVIMJABJZKV-UHFFFAOYSA-N 0 0 206.314 2.973 10 30 BFEERN CCC(CC)C(=O)Nc1ccc(N)cc1C#N ZINC000036737786 168341381 /nfs/dbraw/zinc/34/13/81/168341381.db2.gz FJZXYHQGDVWMEX-UHFFFAOYSA-N 0 0 231.299 2.515 10 30 BFEERN CC(=O)Oc1ccc(C#C[Si](C)(C)C)cc1 ZINC000196061916 398208684 /nfs/dbraw/zinc/20/86/84/398208684.db2.gz WZOGBZMIHYFETA-UHFFFAOYSA-N 0 0 232.355 2.841 10 30 BFEERN Cc1cc(Nc2cccc(C#N)c2)ncc1N ZINC000082539880 178191890 /nfs/dbraw/zinc/19/18/90/178191890.db2.gz MZVJANHDCLXNDD-UHFFFAOYSA-N 0 0 224.267 2.588 10 30 BFEERN COC(=O)C#Cc1ccc(Cl)c(Cl)c1 ZINC000070834927 361778153 /nfs/dbraw/zinc/77/81/53/361778153.db2.gz IJHGABMFFRVDDA-UHFFFAOYSA-N 0 0 229.062 2.518 10 30 BFEERN Cc1cc([C@H](C#N)NC2CC2)c(C)s1 ZINC000049687507 178243897 /nfs/dbraw/zinc/24/38/97/178243897.db2.gz YHBDZEXOPYBRMG-NSHDSACASA-N 0 0 206.314 2.682 10 30 BFEERN Cc1cc([C@H](C)N[C@@H](C)C#N)c(C)s1 ZINC000043515488 178252168 /nfs/dbraw/zinc/25/21/68/178252168.db2.gz TXCYTWXWPBWOPB-CBAPKCEASA-N 0 0 208.330 2.928 10 30 BFEERN COC(=O)[C@@]1(C(C)C)O[C@@]1(C)CC1CCC1 ZINC000229762742 538941109 /nfs/dbraw/zinc/94/11/09/538941109.db2.gz JQCQVUZUAQGTNM-QWHCGFSZSA-N 0 0 226.316 2.533 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@@]12CCC[C@@H]2CC ZINC000229673730 538940307 /nfs/dbraw/zinc/94/03/07/538940307.db2.gz QGTCHHGAUIOKAO-WCFLWFBJSA-N 0 0 226.316 2.677 10 30 BFEERN Cc1ccc(C=NNc2ccccn2)s1 ZINC000005553594 178357223 /nfs/dbraw/zinc/35/72/23/178357223.db2.gz FIUOGEOQFLPJCI-MDWZMJQESA-N 0 0 217.297 2.898 10 30 BFEERN Cc1ccc(/N=C/c2ccc[nH]2)c(O)c1 ZINC000013131028 178359311 /nfs/dbraw/zinc/35/93/11/178359311.db2.gz FHXINBDOKQAZCX-RIYZIHGNSA-N 0 0 200.241 2.779 10 30 BFEERN Cc1ccc(C#N)c(N2CC[C@@H](C)C2)c1 ZINC000051597887 178362946 /nfs/dbraw/zinc/36/29/46/178362946.db2.gz VUUMXRNPILTMMZ-LLVKDONJSA-N 0 0 200.285 2.713 10 30 BFEERN Cc1ccc(C#N)c(N[C@@H](C)C(C)C)n1 ZINC000044419414 178364707 /nfs/dbraw/zinc/36/47/07/178364707.db2.gz RPSSITQOOQGNDP-JTQLQIEISA-N 0 0 203.289 2.718 10 30 BFEERN COC(=O)N1CCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616612714 349581076 /nfs/dbraw/zinc/58/10/76/349581076.db2.gz MPMJZEHACPFDJV-CYBMUJFWSA-N 0 0 244.294 2.852 10 30 BFEERN C=C(C)C(=O)C1(NC(=O)OC(C)(C)C)CCC1 ZINC000405555629 538960384 /nfs/dbraw/zinc/96/03/84/538960384.db2.gz BJUJEFAALBSGOR-UHFFFAOYSA-N 0 0 239.315 2.579 10 30 BFEERN C=C(C)C(=O)CN(C(=O)OC(C)(C)C)C1CC1 ZINC000405558742 538960606 /nfs/dbraw/zinc/96/06/06/538960606.db2.gz WMJHQGDTXYFULY-UHFFFAOYSA-N 0 0 239.315 2.531 10 30 BFEERN C[C@@H]1CC[C@]2(CCC[C@@H](C=O)O2)[C@H](C)C1 ZINC000306659956 361868880 /nfs/dbraw/zinc/86/88/80/361868880.db2.gz MDQVFHCULZMKBR-FVCCEPFGSA-N 0 0 210.317 2.949 10 30 BFEERN C=CCN(CCC#N)c1cccc(NC(C)=O)c1 ZINC000005138018 342758735 /nfs/dbraw/zinc/75/87/35/342758735.db2.gz LNLGQJSEGISOOY-UHFFFAOYSA-N 0 0 243.310 2.551 10 30 BFEERN COc1cccc(F)c1C(C)=CC(C)=O ZINC000127025176 342814348 /nfs/dbraw/zinc/81/43/48/342814348.db2.gz QFVOXYLBMSBROP-BQYQJAHWSA-N 0 0 208.232 2.827 10 30 BFEERN CCC(CC)Nc1ccc(N)cc1C#N ZINC000041020282 168394378 /nfs/dbraw/zinc/39/43/78/168394378.db2.gz OBKDTTRSMLUFDT-UHFFFAOYSA-N 0 0 203.289 2.741 10 30 BFEERN Cc1cc(N=CC2=CC(=O)CC(C)(C)C2)n[nH]1 ZINC000009925833 342829615 /nfs/dbraw/zinc/82/96/15/342829615.db2.gz HRZCSMSMTNLLHW-RIYZIHGNSA-N 0 0 231.299 2.736 10 30 BFEERN CCC[C@H]([NH3+])C#Cc1sccc1Cl ZINC000229910237 342854607 /nfs/dbraw/zinc/85/46/07/342854607.db2.gz WCUVIMXRQWNMGN-QMMMGPOBSA-N 0 0 213.733 2.880 10 30 BFEERN CC(C)(C)OC(=O)C1(C#N)CC(C)(C)C1 ZINC000308772444 398303000 /nfs/dbraw/zinc/30/30/00/398303000.db2.gz BHDIVGWKDBETON-UHFFFAOYSA-N 0 0 209.289 2.658 10 30 BFEERN CSCCC(=O)c1ccc(C#N)c(F)c1 ZINC000308842477 342874154 /nfs/dbraw/zinc/87/41/54/342874154.db2.gz ZINUZUBCUNVTQO-UHFFFAOYSA-N 0 0 223.272 2.633 10 30 BFEERN Cc1cc(C#N)cc(Br)c1F ZINC000219313110 342856929 /nfs/dbraw/zinc/85/69/29/342856929.db2.gz QIVVULHWGYCCJQ-UHFFFAOYSA-N 0 0 214.037 2.768 10 30 BFEERN C[C@H](CC(=O)N[C@H]1CCC[C@@H]1C#N)C(C)(C)C ZINC000111649861 346870390 /nfs/dbraw/zinc/87/03/90/346870390.db2.gz ZKHLUHSWVRVRQL-UTUOFQBUSA-N 0 0 236.359 2.867 10 30 BFEERN Cc1cnccc1CN[C@H]1CCCC[C@@H]1C#N ZINC000228668948 398325763 /nfs/dbraw/zinc/32/57/63/398325763.db2.gz FSRXOWLQQZJMEX-OCCSQVGLSA-N 0 0 229.327 2.562 10 30 BFEERN C#CC[C@H](NN)c1cc(Cl)ccc1Cl ZINC000126652511 344012196 /nfs/dbraw/zinc/01/21/96/344012196.db2.gz ATCWFZREQRQFIK-JTQLQIEISA-N 0 0 229.110 2.521 10 30 BFEERN CNc1c(C#N)cnc2c(C)c(C)ccc21 ZINC000050842664 398342410 /nfs/dbraw/zinc/34/24/10/398342410.db2.gz PTYJVHCUJUPXPA-UHFFFAOYSA-N 0 0 211.268 2.765 10 30 BFEERN N#C[C@@H](OC(=O)c1ccccc1)c1ccncc1 ZINC000034160878 398343215 /nfs/dbraw/zinc/34/32/15/398343215.db2.gz LKFRWZFQVNNSJV-CYBMUJFWSA-N 0 0 238.246 2.503 10 30 BFEERN Cc1cccc(C#CCNc2ccccc2)n1 ZINC000034409153 187208089 /nfs/dbraw/zinc/20/80/89/187208089.db2.gz UQHRWUGOFGOOMR-UHFFFAOYSA-N 0 0 222.291 2.854 10 30 BFEERN Cc1sccc1CN[C@H]1CCC[C@H]1C#N ZINC000309091501 133456061 /nfs/dbraw/zinc/45/60/61/133456061.db2.gz DRTMGAOHCUZWNZ-JQWIXIFHSA-N 0 0 220.341 2.838 10 30 BFEERN N#CCc1cccc2nc3ccccc3nc12 ZINC000118557508 343049000 /nfs/dbraw/zinc/04/90/00/343049000.db2.gz VFRFBIMGQWLLCR-UHFFFAOYSA-N 0 0 219.247 2.849 10 30 BFEERN CN=[S@](=O)(c1ccc(C#N)cc1)C(F)(F)F ZINC000118645595 343051701 /nfs/dbraw/zinc/05/17/01/343051701.db2.gz YLHLMUBJAIGQDY-INIZCTEOSA-N 0 0 248.229 2.535 10 30 BFEERN C[C@@H](C#N)CC(=O)c1ccc(F)c(F)c1 ZINC000043368306 343057953 /nfs/dbraw/zinc/05/79/53/343057953.db2.gz XVRPWIJOVHYISD-SSDOTTSWSA-N 0 0 209.195 2.697 10 30 BFEERN CC(C)[C@H]1CCCN(c2nccc(C#N)n2)CC1 ZINC000231902294 187229183 /nfs/dbraw/zinc/22/91/83/187229183.db2.gz ZTCNHFXEMVDDBZ-LBPRGKRZSA-N 0 0 244.342 2.611 10 30 BFEERN N#CC[C@H]1CC[C@H](c2ncc(Cl)s2)O1 ZINC000306662880 362021694 /nfs/dbraw/zinc/02/16/94/362021694.db2.gz QBMJERJZVYWPFI-RNFRBKRXSA-N 0 0 228.704 2.930 10 30 BFEERN CCCn1cc(C#N)c(=O)c2cccc(C)c21 ZINC000072236941 343088191 /nfs/dbraw/zinc/08/81/91/343088191.db2.gz LEMGSVWQWGKBMP-UHFFFAOYSA-N 0 0 226.279 2.592 10 30 BFEERN O=C1c2ccccc2CC/C1=C\c1ccnnc1 ZINC000013746649 343102704 /nfs/dbraw/zinc/10/27/04/343102704.db2.gz LZNWFUMFLATCSO-UKTHLTGXSA-N 0 0 236.274 2.689 10 30 BFEERN Cc1ccc(C)c([C@@H](C#N)NC2CC2)c1 ZINC000049670605 178494012 /nfs/dbraw/zinc/49/40/12/178494012.db2.gz IVLYENGTLAJBKV-CYBMUJFWSA-N 0 0 200.285 2.620 10 30 BFEERN N#Cc1cccc([C@@]23C[C@@H]2CC(=O)CC3)c1 ZINC000141522322 343096191 /nfs/dbraw/zinc/09/61/91/343096191.db2.gz CTWBQTIGZQHKIW-GXTWGEPZSA-N 0 0 211.264 2.569 10 30 BFEERN COc1ccc2c(c1)/C(=N/O)CCC2(C)C ZINC000117920208 343120853 /nfs/dbraw/zinc/12/08/53/343120853.db2.gz HGHONBHHKYRHMJ-WYMLVPIESA-N 0 0 219.284 2.945 10 30 BFEERN N#Cc1ncc(-c2ccccc2Cl)o1 ZINC000259797895 343130096 /nfs/dbraw/zinc/13/00/96/343130096.db2.gz UTWYZLGFMPYZGL-UHFFFAOYSA-N 0 0 204.616 2.867 10 30 BFEERN COc1cc(OC)cc(C2(C#N)CCC2)c1 ZINC000036373216 343143057 /nfs/dbraw/zinc/14/30/57/343143057.db2.gz LMMZTVODBSHPIT-UHFFFAOYSA-N 0 0 217.268 2.649 10 30 BFEERN C=C[C@H]1CSC(Nc2ccccc2)=N1 ZINC000005137923 187241787 /nfs/dbraw/zinc/24/17/87/187241787.db2.gz JEZBUYDFUWFZQI-VIFPVBQESA-N 0 0 204.298 2.565 10 30 BFEERN OCCCC#Cc1cccc2ccccc12 ZINC000095633229 343154493 /nfs/dbraw/zinc/15/44/93/343154493.db2.gz IMGMWMATKUWNRK-UHFFFAOYSA-N 0 0 210.276 2.964 10 30 BFEERN Cc1cccc2c1CN(C(C)(C)C#N)CC2 ZINC000335890319 343217725 /nfs/dbraw/zinc/21/77/25/343217725.db2.gz YZHJINSOWMZFSZ-UHFFFAOYSA-N 0 0 214.312 2.655 10 30 BFEERN CCCCC#CCOc1ccccc1O ZINC000238215578 343252614 /nfs/dbraw/zinc/25/26/14/343252614.db2.gz KAKNMQQXCCRLDR-UHFFFAOYSA-N 0 0 204.269 2.965 10 30 BFEERN N#CCc1cc(Cl)cnc1OC(F)(F)F ZINC000238548479 343256784 /nfs/dbraw/zinc/25/67/84/343256784.db2.gz IRAMKHBTDTZKBM-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN C/C=C/[C@@H](CCCC)CCOS(C)(=O)=O ZINC000207435998 343262387 /nfs/dbraw/zinc/26/23/87/343262387.db2.gz XFTREVJXSLNQPY-ZRQQLDRUSA-N 0 0 234.361 2.735 10 30 BFEERN C[C@H](CC=O)[C@H]1CC[C@H]2[C@@H](O)CCC[C@]12C ZINC000034078612 343264133 /nfs/dbraw/zinc/26/41/33/343264133.db2.gz VOGYKSPKFRPORP-PEBLQZBPSA-N 0 0 224.344 2.789 10 30 BFEERN N#Cc1cccc(-n2cnc(-c3ccccn3)c2)c1 ZINC000013582329 187251266 /nfs/dbraw/zinc/25/12/66/187251266.db2.gz WFXSTBNPVNZJHP-UHFFFAOYSA-N 0 0 246.273 2.806 10 30 in-vivo BFEERN N#Cc1cc(OC(F)(F)F)c(C(F)F)cn1 ZINC000309362917 343332753 /nfs/dbraw/zinc/33/27/53/343332753.db2.gz MTPXFISTWIDFCC-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN C[C@@H](C#N)Nc1ccccc1Br ZINC000037853307 343357622 /nfs/dbraw/zinc/35/76/22/343357622.db2.gz JWAKEVAAYWFPQT-ZETCQYMHSA-N 0 0 225.089 2.773 10 30 BFEERN N#CC1(c2nc(CC3CCC3)no2)CCCC1 ZINC000329019382 136364754 /nfs/dbraw/zinc/36/47/54/136364754.db2.gz RYAMXLZUFXDREM-UHFFFAOYSA-N 0 0 231.299 2.748 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1conc1C1CC1 ZINC000329572206 136366149 /nfs/dbraw/zinc/36/61/49/136366149.db2.gz MZIBHGVBDMVDQN-ONGXEEELSA-N 0 0 245.282 2.549 10 30 BFEERN O=C(Cc1cncnc1)N[C@H]1CC12CCCCC2 ZINC000329571871 136366278 /nfs/dbraw/zinc/36/62/78/136366278.db2.gz MWGBTMFXBDMCNE-LBPRGKRZSA-N 0 0 245.326 2.698 10 30 BFEERN C#CCCCCC(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000362025897 136372048 /nfs/dbraw/zinc/37/20/48/136372048.db2.gz UXXLHOWJPUDSNV-KGLIPLIRSA-N 0 0 233.355 2.971 10 30 BFEERN COc1cc(F)cc(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000312262865 136372459 /nfs/dbraw/zinc/37/24/59/136372459.db2.gz AOIPILSTFUBBFI-BXUZGUMPSA-N 0 0 248.301 2.616 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1ccc(F)c(F)c1 ZINC000054827357 136372966 /nfs/dbraw/zinc/37/29/66/136372966.db2.gz NJFDRVPJIPEVPG-ZWNOBZJWSA-N 0 0 236.265 2.747 10 30 BFEERN COCc1cccc(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000054825810 136373277 /nfs/dbraw/zinc/37/32/77/136373277.db2.gz QEMYGRSECFJOQR-GJZGRUSLSA-N 0 0 244.338 2.615 10 30 BFEERN C[C@@H](C#N)Oc1cccc(C(F)(F)F)c1 ZINC000047873924 343567152 /nfs/dbraw/zinc/56/71/52/343567152.db2.gz SLLJFPMAGHSGFY-ZETCQYMHSA-N 0 0 215.174 2.996 10 30 BFEERN N#CCCN(C(=O)Nc1ccc(F)cc1)C1CC1 ZINC000042249061 187265913 /nfs/dbraw/zinc/26/59/13/187265913.db2.gz MNLJYUHNCFHQSO-UHFFFAOYSA-N 0 0 247.273 2.736 10 30 BFEERN CCC[C@H](C#N)C(=O)N(CC1CC1)C(C)C ZINC000044826726 187268000 /nfs/dbraw/zinc/26/80/00/187268000.db2.gz RCHULZRDXAQQLG-GFCCVEGCSA-N 0 0 222.332 2.573 10 30 BFEERN CC(C)SCC[NH2+][C@@H]1CCCC[C@H]1C#N ZINC000379778632 343624931 /nfs/dbraw/zinc/62/49/31/343624931.db2.gz BFWUSPJVGCXAON-NWDGAFQWSA-N 0 0 226.389 2.800 10 30 BFEERN Cc1ccccc1[C@H](C)Nc1cnc(C#N)cn1 ZINC000071177994 343625209 /nfs/dbraw/zinc/62/52/09/343625209.db2.gz IGYUWRMSASIZED-NSHDSACASA-N 0 0 238.294 2.830 10 30 BFEERN CCC[C@@H](C#N)C(=O)N(C)[C@@H](C)CC(C)C ZINC000044826673 187268656 /nfs/dbraw/zinc/26/86/56/187268656.db2.gz ZTJBSZJBUAHCRB-RYUDHWBXSA-N 0 0 224.348 2.819 10 30 BFEERN C=CCCCCNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000379897150 343652324 /nfs/dbraw/zinc/65/23/24/343652324.db2.gz CFXZEYPQVRXYEV-ZSBIGDGJSA-N 0 0 207.317 2.505 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@@]12CCC(C)(C)C[C@H]2C ZINC000300031065 537802033 /nfs/dbraw/zinc/80/20/33/537802033.db2.gz SCEQWJXXTWNNFV-FXAINCCUSA-N 0 0 246.734 2.710 10 30 BFEERN C=CC(=O)c1cccc(OC(F)(F)F)c1 ZINC000165544980 343690747 /nfs/dbraw/zinc/69/07/47/343690747.db2.gz PSNKUJJNKZWDGD-UHFFFAOYSA-N 0 0 216.158 2.954 10 30 BFEERN N#CCc1ccc(OCC(=O)c2ccco2)cc1 ZINC000047820915 187269232 /nfs/dbraw/zinc/26/92/32/187269232.db2.gz XEKSYTYMBWGRTB-UHFFFAOYSA-N 0 0 241.246 2.607 10 30 BFEERN COC(=O)[C@]1(C)O[C@]12CCC[C@H](C(C)C)C2 ZINC000300236173 537814445 /nfs/dbraw/zinc/81/44/45/537814445.db2.gz KFVIVVGRVNRAFI-DRZSPHRISA-N 0 0 226.316 2.533 10 30 BFEERN CC(C)C[C@H](C#N)NCCc1ccccc1 ZINC000057497969 187273066 /nfs/dbraw/zinc/27/30/66/187273066.db2.gz WCBNAVLZYWBYFL-CQSZACIVSA-N 0 0 216.328 2.757 10 30 BFEERN C=C[C@H](C)Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC000220045836 343828182 /nfs/dbraw/zinc/82/81/82/343828182.db2.gz FZHHMOJIIMPFNX-LURJTMIESA-N 0 0 227.651 2.630 10 30 BFEERN CCc1[nH]nc(C2CCC2)c1CCC#N ZINC000409439981 343854097 /nfs/dbraw/zinc/85/40/97/343854097.db2.gz LFXDYPPHWVEQMB-UHFFFAOYSA-N 0 0 203.289 2.696 10 30 BFEERN N#Cc1ccc(-n2cnc(Br)c2)cc1 ZINC000072193519 187276874 /nfs/dbraw/zinc/27/68/74/187276874.db2.gz VRQMELFJXPIGBS-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN CC#CCOc1nc2ccccc2s1 ZINC000045236159 187354628 /nfs/dbraw/zinc/35/46/28/187354628.db2.gz ZHGIXCOHICUTJW-UHFFFAOYSA-N 0 0 203.266 2.698 10 30 BFEERN C#CC(C)(C)Oc1ccncc1Br ZINC000135121045 343937146 /nfs/dbraw/zinc/93/71/46/343937146.db2.gz ZKGKALZZKCZNBW-UHFFFAOYSA-N 0 0 240.100 2.635 10 30 BFEERN Cc1cc([C@H]2OCC[C@H]2C#N)c(C)s1 ZINC000070672440 343953830 /nfs/dbraw/zinc/95/38/30/343953830.db2.gz CODJKHARHLWDJO-ONGXEEELSA-N 0 0 207.298 2.966 10 30 BFEERN N#C[C@@H]1CCO[C@@H]1c1cccc(Cl)c1 ZINC000070672127 343953976 /nfs/dbraw/zinc/95/39/76/343953976.db2.gz ZUHKMKNPGYZXHQ-GXSJLCMTSA-N 0 0 207.660 2.941 10 30 BFEERN CC(C)(C)OC(=O)N[C@H](CC#N)C(C)(C)C ZINC000091691034 187286573 /nfs/dbraw/zinc/28/65/73/187286573.db2.gz PUJIJRGXDZBMPU-SECBINFHSA-N 0 0 226.320 2.839 10 30 BFEERN C=CCN[C@H](C(=O)OCC)c1cc(C)cc(C)c1 ZINC000051962487 187357652 /nfs/dbraw/zinc/35/76/52/187357652.db2.gz FIWOUQLNNGLQPZ-AWEZNQCLSA-N 0 0 247.338 2.683 10 30 BFEERN N#Cc1cnc([C@H]2CCCS2)nc1Cl ZINC000306263334 344094947 /nfs/dbraw/zinc/09/49/47/344094947.db2.gz YOMIRATZOWQFSA-SSDOTTSWSA-N 0 0 225.704 2.570 10 30 BFEERN CC(=NC#N)N[C@H]1CCCc2ccccc21 ZINC000080483349 344129724 /nfs/dbraw/zinc/12/97/24/344129724.db2.gz NWAHVJHNIQHERG-ZDUSSCGKSA-N 0 0 213.284 2.553 10 30 BFEERN Cc1csc(CC(=O)C2=CCCC2)n1 ZINC000235970017 344276126 /nfs/dbraw/zinc/27/61/26/344276126.db2.gz SYZYALBNGWVVMZ-UHFFFAOYSA-N 0 0 207.298 2.673 10 30 BFEERN CC1(C)OC(/C=C/c2ccccc2)=CC1=O ZINC000028220964 344353084 /nfs/dbraw/zinc/35/30/84/344353084.db2.gz RDWFSLOZEJGVCE-CMDGGOBGSA-N 0 0 214.264 2.962 10 30 BFEERN OCCC#Cc1ccc(Cl)c(Cl)c1 ZINC000037470657 344504724 /nfs/dbraw/zinc/50/47/24/344504724.db2.gz YRYGQDJVUHPGPZ-UHFFFAOYSA-N 0 0 215.079 2.727 10 30 BFEERN COc1ccccc1CN[C@@H]1CCCC[C@@H]1C#N ZINC000054823111 344457812 /nfs/dbraw/zinc/45/78/12/344457812.db2.gz VOAYDDGIDYVGHY-TZMCWYRMSA-N 0 0 244.338 2.867 10 30 BFEERN N#Cc1cn(CC2CC2)nc1-c1ccccc1 ZINC000409440774 344463096 /nfs/dbraw/zinc/46/30/96/344463096.db2.gz UUQQDAPPLWYLNM-UHFFFAOYSA-N 0 0 223.279 2.832 10 30 BFEERN N#CCc1ccc(OC(F)(F)F)cc1C#N ZINC000396073909 344595900 /nfs/dbraw/zinc/59/59/00/344595900.db2.gz GABLHTNYBITJHK-UHFFFAOYSA-N 0 0 226.157 2.523 10 30 BFEERN N#CCc1cccc(OC(F)(F)F)c1C#N ZINC000396080511 344597748 /nfs/dbraw/zinc/59/77/48/344597748.db2.gz XCCXRQFWWBRCAR-UHFFFAOYSA-N 0 0 226.157 2.523 10 30 BFEERN CN(C)c1ccc(C#N)c(OC(F)(F)F)c1 ZINC000396121843 344609033 /nfs/dbraw/zinc/60/90/33/344609033.db2.gz RSBPWAMQKBFJJF-UHFFFAOYSA-N 0 0 230.189 2.523 10 30 BFEERN CC1CC(C(=O)Nc2ccc(C#N)c(F)c2)C1 ZINC000583355903 344751385 /nfs/dbraw/zinc/75/13/85/344751385.db2.gz CBIYLXCPKZGAJW-UHFFFAOYSA-N 0 0 232.258 2.682 10 30 BFEERN COC(=O)c1cc(C#N)cc(Cl)c1Cl ZINC000307076737 344747094 /nfs/dbraw/zinc/74/70/94/344747094.db2.gz LLTMIZFPBXXMSE-UHFFFAOYSA-N 0 0 230.050 2.652 10 30 BFEERN C=CC[C@H](C)Nc1cc(N)cc(Cl)n1 ZINC000235077353 344764674 /nfs/dbraw/zinc/76/46/74/344764674.db2.gz XAVGYWVNCKGSMZ-ZETCQYMHSA-N 0 0 211.696 2.694 10 30 BFEERN Cc1ccc([C@@H](O)[C@@H](C)C#N)cc1Cl ZINC000235105957 344789093 /nfs/dbraw/zinc/78/90/93/344789093.db2.gz YTXIOXSWLNZRKU-KWQFWETISA-N 0 0 209.676 2.842 10 30 BFEERN CN(C)c1ccc(C#Cc2cccc(N)c2)cc1 ZINC000037547746 187292967 /nfs/dbraw/zinc/29/29/67/187292967.db2.gz CITZVTOUMMDOGF-UHFFFAOYSA-N 0 0 236.318 2.735 10 30 BFEERN C=CCN(C(=O)[C@H]1CC[C@@H](C)O1)c1ccccc1 ZINC000154014369 345008147 /nfs/dbraw/zinc/00/81/47/345008147.db2.gz SECCVUCUEMBRQB-TZMCWYRMSA-N 0 0 245.322 2.773 10 30 BFEERN Cc1cc(N[C@H]2CCc3ccccc32)c(C#N)cn1 ZINC000425212432 192083259 /nfs/dbraw/zinc/08/32/59/192083259.db2.gz WBINSYHDWIFYLT-HNNXBMFYSA-N 0 0 249.317 2.783 10 30 BFEERN Cc1c(F)ccc(Br)c1C#N ZINC000307147010 345032826 /nfs/dbraw/zinc/03/28/26/345032826.db2.gz HMIDKUNLVJLQDK-UHFFFAOYSA-N 0 0 214.037 2.768 10 30 BFEERN N#Cc1cccc(OC(F)F)c1Cl ZINC000238528732 345068094 /nfs/dbraw/zinc/06/80/94/345068094.db2.gz QQPKOJINTAKCHX-UHFFFAOYSA-N 0 0 203.575 2.813 10 30 BFEERN N#Cc1cc(F)cc2c(Br)c[nH]c21 ZINC000238614957 345091310 /nfs/dbraw/zinc/09/13/10/345091310.db2.gz PBRPOTNHLCWGIW-UHFFFAOYSA-N 0 0 239.047 2.941 10 30 BFEERN C#CCOc1cc(C(F)(F)F)cc(Cl)n1 ZINC000225784019 345177458 /nfs/dbraw/zinc/17/74/58/345177458.db2.gz SNVOWIQHPNHPML-UHFFFAOYSA-N 0 0 235.592 2.766 10 30 BFEERN N#CCc1c(O)cc(Cl)cc1Cl ZINC000166751341 345137379 /nfs/dbraw/zinc/13/73/79/345137379.db2.gz UUPCEGUQNGYXBG-UHFFFAOYSA-N 0 0 202.040 2.765 10 30 BFEERN CC1(C)CSC[C@@](Br)(C#N)C1 ZINC000127704707 345216138 /nfs/dbraw/zinc/21/61/38/345216138.db2.gz OEDFNVKRDZVTFF-QMMMGPOBSA-N 0 0 234.162 2.807 10 30 BFEERN C=CCc1ccc(N=S(C)(C)=O)cc1 ZINC000667946072 537893071 /nfs/dbraw/zinc/89/30/71/537893071.db2.gz QKVYBWFQXMHHTC-UHFFFAOYSA-N 0 0 209.314 2.774 10 30 BFEERN C=C(C)CN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158631995 345358256 /nfs/dbraw/zinc/35/82/56/345358256.db2.gz LKBMOGVSPAPGML-CYBMUJFWSA-N 0 0 221.300 2.537 10 30 BFEERN C=CCCc1c(Br)c(C)nn1C ZINC000148278205 345465938 /nfs/dbraw/zinc/46/59/38/345465938.db2.gz VJLDRYKJWZZTFY-UHFFFAOYSA-N 0 0 229.121 2.610 10 30 BFEERN CCN[C@@H](C#N)c1cccc(Cl)c1F ZINC000229244762 345467367 /nfs/dbraw/zinc/46/73/67/345467367.db2.gz NNRMWISSEHYDRV-VIFPVBQESA-N 0 0 212.655 2.653 10 30 BFEERN CC[C@](C)(C#N)C(=O)Nc1ccccc1OC ZINC000136163847 345483244 /nfs/dbraw/zinc/48/32/44/345483244.db2.gz MJACVEWNAUQKIV-CYBMUJFWSA-N 0 0 232.283 2.574 10 30 BFEERN CC=CC(=O)c1occc1Br ZINC000128194242 345567986 /nfs/dbraw/zinc/56/79/86/345567986.db2.gz HSTXXXYWLNVWQD-UHFFFAOYSA-N 0 0 215.046 2.801 10 30 BFEERN CC(C)(C#N)N1CCC(C)(C2CC2)CC1 ZINC000335673843 534999030 /nfs/dbraw/zinc/99/90/30/534999030.db2.gz IEGWRYMPVMZPQV-UHFFFAOYSA-N 0 0 206.333 2.801 10 30 BFEERN COc1ccc(C#CC(F)(F)F)cc1F ZINC000675079238 537901423 /nfs/dbraw/zinc/90/14/23/537901423.db2.gz RXLWNRJLPPYNQM-UHFFFAOYSA-N 0 0 218.149 2.748 10 30 BFEERN C=C(C)C1=N[C@@](C)(Cc2ccccc2)C(=O)O1 ZINC000113988490 345755401 /nfs/dbraw/zinc/75/54/01/345755401.db2.gz PAWWCZYDPHQUEE-AWEZNQCLSA-N 0 0 229.279 2.519 10 30 BFEERN CCCCCCCCC[C@](C)(O)CO ZINC000136141920 345807632 /nfs/dbraw/zinc/80/76/32/345807632.db2.gz NXZYTIUKCDMJLK-LBPRGKRZSA-N 0 0 202.338 2.870 10 30 BFEERN N#Cc1ccc(C#CC2CCCCC2)cn1 ZINC000168312760 345812204 /nfs/dbraw/zinc/81/22/04/345812204.db2.gz NVZHVPPZTORNLP-UHFFFAOYSA-N 0 0 210.280 2.885 10 30 BFEERN CCCCCCCCC[C@@](C)(O)CO ZINC000136495337 345814777 /nfs/dbraw/zinc/81/47/77/345814777.db2.gz NXZYTIUKCDMJLK-GFCCVEGCSA-N 0 0 202.338 2.870 10 30 BFEERN C=C[C@H]1CC[C@@](CC)(CC(=O)OC)C(=O)C1 ZINC000034246802 345820063 /nfs/dbraw/zinc/82/00/63/345820063.db2.gz OODMXCJPVZQLIA-GWCFXTLKSA-N 0 0 224.300 2.501 10 30 BFEERN C#CCOCc1nc(Cl)ccc1Cl ZINC000061639736 345785909 /nfs/dbraw/zinc/78/59/09/345785909.db2.gz SCXJWIVXLZBIIJ-UHFFFAOYSA-N 0 0 216.067 2.538 10 30 BFEERN C#CC[C@](C)(O)Cc1ccc(Cl)cc1 ZINC000235716389 345793190 /nfs/dbraw/zinc/79/31/90/345793190.db2.gz MWTGWILDYCOPPI-LBPRGKRZSA-N 0 0 208.688 2.657 10 30 BFEERN C=CCC[C@H](O)COCc1ccccc1 ZINC000034360789 345822285 /nfs/dbraw/zinc/82/22/85/345822285.db2.gz PIWXSWRLGRCLKF-ZDUSSCGKSA-N 0 0 206.285 2.530 10 30 BFEERN COP(=O)(OC)C(=O)/C=C/c1ccccc1 ZINC000135939878 345795540 /nfs/dbraw/zinc/79/55/40/345795540.db2.gz UNHQSUOJOFJHRW-CMDGGOBGSA-N 0 0 240.195 2.712 10 30 BFEERN CC#C[C@@H](O)C1(Cc2cccs2)CCC1 ZINC000167823030 345803021 /nfs/dbraw/zinc/80/30/21/345803021.db2.gz WQPSXFFUTIEQNM-GFCCVEGCSA-N 0 0 220.337 2.845 10 30 BFEERN C=CCc1cc(C(C)=O)c(O)c(CCC)c1O ZINC000196654566 345841702 /nfs/dbraw/zinc/84/17/02/345841702.db2.gz DZNPQOXNIXEGES-UHFFFAOYSA-N 0 0 234.295 2.981 10 30 BFEERN COCOc1cc(C#N)ccc1-c1cccnc1 ZINC000140885655 345858580 /nfs/dbraw/zinc/85/85/80/345858580.db2.gz TWLIWLJNKKIYDR-UHFFFAOYSA-N 0 0 240.262 2.603 10 30 BFEERN Cc1ccc(S(=O)(=O)/N=C/CC(C)C)cc1 ZINC000034570801 345832187 /nfs/dbraw/zinc/83/21/87/345832187.db2.gz NKZBJJHJHCCNKE-UKTHLTGXSA-N 0 0 239.340 2.801 10 30 BFEERN N#C[C@H]1CCC[C@@H]1Nc1ncc(Cl)s1 ZINC000307659098 345876373 /nfs/dbraw/zinc/87/63/73/345876373.db2.gz CISGPOFHWHXFQT-RQJHMYQMSA-N 0 0 227.720 2.901 10 30 BFEERN N#C[C@@H]1CCC[C@H]1Nc1ncc(Cl)s1 ZINC000307659095 345876469 /nfs/dbraw/zinc/87/64/69/345876469.db2.gz CISGPOFHWHXFQT-NKWVEPMBSA-N 0 0 227.720 2.901 10 30 BFEERN CC1(C)C[C@](Br)(C=O)CCS1 ZINC000062722505 187361608 /nfs/dbraw/zinc/36/16/08/187361608.db2.gz BWJLTEHOCNBTTO-QMMMGPOBSA-N 0 0 237.162 2.625 10 30 BFEERN C=CCCC[C@@H](C)NC(=O)[C@@H](CCC)[NH+](C)C ZINC000182618142 345934927 /nfs/dbraw/zinc/93/49/27/345934927.db2.gz DJSKTTMEUZURLJ-CHWSQXEVSA-N 0 0 240.391 2.578 10 30 BFEERN CC(C)COCCNc1ccc(C#N)cc1F ZINC000134222515 187361330 /nfs/dbraw/zinc/36/13/30/187361330.db2.gz WQMJWPLCTVVCQL-UHFFFAOYSA-N 0 0 236.290 2.782 10 30 BFEERN C=C(C)COCCNc1ccc(C(C)=O)cc1 ZINC000095883504 187362069 /nfs/dbraw/zinc/36/20/69/187362069.db2.gz HDQDGKRSYXOSCN-UHFFFAOYSA-N 0 0 233.311 2.894 10 30 BFEERN C=C[C@@H](C)OC/C(=N/O)c1ccccc1F ZINC000148236378 346034233 /nfs/dbraw/zinc/03/42/33/346034233.db2.gz XNGMLIHHABXLLQ-USPJWIJHSA-N 0 0 223.247 2.595 10 30 BFEERN C=C(C)CN(CC)c1ccccc1C#N ZINC000020077338 187315324 /nfs/dbraw/zinc/31/53/24/187315324.db2.gz IUTDLPQHQAUPRC-UHFFFAOYSA-N 0 0 200.285 2.961 10 30 BFEERN N#CCCN[C@@H]1CCCc2ccccc21 ZINC000020200035 187315326 /nfs/dbraw/zinc/31/53/26/187315326.db2.gz ZEAPFUYHEICZGV-CYBMUJFWSA-N 0 0 200.285 2.567 10 30 BFEERN N#Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc1F ZINC000307907232 346111435 /nfs/dbraw/zinc/11/14/35/346111435.db2.gz FWBYAFHWZPKDSE-JGPRNRPPSA-N 0 0 244.269 2.682 10 30 BFEERN N#Cc1ccc(C2CCC(=O)CC2)cc1F ZINC000034130139 346204390 /nfs/dbraw/zinc/20/43/90/346204390.db2.gz GBYZVKIAPCSUIW-UHFFFAOYSA-N 0 0 217.243 2.924 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1Sc1ncco1 ZINC000236173393 346205294 /nfs/dbraw/zinc/20/52/94/346205294.db2.gz CRKWKWIBRLCWDQ-DTWKUNHWSA-N 0 0 208.286 2.849 10 30 BFEERN N#Cc1cc(Cl)nc(Sc2ncco2)c1 ZINC000236069400 346187795 /nfs/dbraw/zinc/18/77/95/346187795.db2.gz BOYCNGVCJDRYHO-UHFFFAOYSA-N 0 0 237.671 2.746 10 30 BFEERN Cc1cccc(C(=O)N(CCC#N)C2CC2)c1C ZINC000042548778 179006119 /nfs/dbraw/zinc/00/61/19/179006119.db2.gz QHHSNOBCJDFVBI-UHFFFAOYSA-N 0 0 242.322 2.822 10 30 BFEERN O=C(C1=CCCCCC1)[C@@H]1CCCOC1 ZINC000062229785 346222610 /nfs/dbraw/zinc/22/26/10/346222610.db2.gz BYFVYQPDDVMHNH-GFCCVEGCSA-N 0 0 208.301 2.873 10 30 BFEERN N#Cc1ccc(Cl)c(Br)c1N ZINC000236340253 346226083 /nfs/dbraw/zinc/22/60/83/346226083.db2.gz GWJPVGVOKYWCMP-UHFFFAOYSA-N 0 0 231.480 2.556 10 30 BFEERN CCOC(=O)C[C@]1([C@H]2CO2)CCC[C@@H](C)C1 ZINC000675052393 537963892 /nfs/dbraw/zinc/96/38/92/537963892.db2.gz DOKNEMNOTTTWEI-WZRBSPASSA-N 0 0 226.316 2.535 10 30 BFEERN CC(C)(C=O)c1ccccc1Br ZINC000034416447 346270601 /nfs/dbraw/zinc/27/06/01/346270601.db2.gz CXRXPOUQVQSRGK-UHFFFAOYSA-N 0 0 227.101 2.926 10 30 BFEERN FC(F)(F)Oc1ccccc1C[C@H]1CO1 ZINC000148367601 537965512 /nfs/dbraw/zinc/96/55/12/537965512.db2.gz DBJOXFXVRIJQGR-QMMMGPOBSA-N 0 0 218.174 2.527 10 30 BFEERN CCOC(=O)CC1([C@@H]2CO2)CCC(F)(F)CC1 ZINC000675054731 537972726 /nfs/dbraw/zinc/97/27/26/537972726.db2.gz WTKYBLOAGGOSMD-VIFPVBQESA-N 0 0 248.269 2.534 10 30 BFEERN N#Cc1cncc(C(F)F)c1OC(F)(F)F ZINC000309555281 347100657 /nfs/dbraw/zinc/10/06/57/347100657.db2.gz MCRCSINIOGHQOX-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN Cc1cccc(N(C)Cc2cccnc2C#N)c1 ZINC000061664571 179118614 /nfs/dbraw/zinc/11/86/14/179118614.db2.gz PWLHHWZSQQGGOB-UHFFFAOYSA-N 0 0 237.306 2.898 10 30 BFEERN C[Si](C)(C)C#Cc1ccc2nccn2c1 ZINC000203762074 346650189 /nfs/dbraw/zinc/65/01/89/346650189.db2.gz CWFGTSKGTJIBPT-UHFFFAOYSA-N 0 0 214.344 2.563 10 30 BFEERN C=CCCC(=O)c1cc(F)ccc1OC ZINC000106889618 346654701 /nfs/dbraw/zinc/65/47/01/346654701.db2.gz SGIYWAZPSZELSL-UHFFFAOYSA-N 0 0 208.232 2.983 10 30 BFEERN C=CCC[C@H](C)Nc1ccc(C(N)=O)cc1 ZINC000126907731 133642180 /nfs/dbraw/zinc/64/21/80/133642180.db2.gz FISBSXYYNADEPC-JTQLQIEISA-N 0 0 218.300 2.552 10 30 BFEERN Cc1cccc([C@@H](C#N)C(=O)c2ccncc2)c1 ZINC000055332473 179176989 /nfs/dbraw/zinc/17/69/89/179176989.db2.gz MQFSCXGTCLRNFU-CQSZACIVSA-N 0 0 236.274 2.880 10 30 BFEERN Cc1nc(C#N)sc1-c1ccc(F)o1 ZINC000669380400 537988015 /nfs/dbraw/zinc/98/80/15/537988015.db2.gz MAKZKADFKYOPHS-UHFFFAOYSA-N 0 0 208.217 2.722 10 30 BFEERN Cc1cccc([C@H](C#N)C(=O)c2ccncc2)c1 ZINC000055332475 179192232 /nfs/dbraw/zinc/19/22/32/179192232.db2.gz MQFSCXGTCLRNFU-AWEZNQCLSA-N 0 0 236.274 2.880 10 30 BFEERN COc1ccc(F)cc1CN[C@H]1CCC[C@H]1C#N ZINC000310843425 347311738 /nfs/dbraw/zinc/31/17/38/347311738.db2.gz LBSFPUISWIDHEF-GWCFXTLKSA-N 0 0 248.301 2.616 10 30 BFEERN N#Cc1ccc(Nc2cccnc2)c([N+](=O)[O-])c1 ZINC000118516147 347363994 /nfs/dbraw/zinc/36/39/94/347363994.db2.gz FIXLXRQEYZQOGP-UHFFFAOYSA-N 0 0 240.222 2.605 10 30 BFEERN Cc1ccccc1-c1nc(C#N)cs1 ZINC000019723131 179236195 /nfs/dbraw/zinc/23/61/95/179236195.db2.gz RPRIJDVRHBEFPO-UHFFFAOYSA-N 0 0 200.266 2.990 10 30 BFEERN Cc1ccccc1-c1ncc(C#N)s1 ZINC000082688988 179240326 /nfs/dbraw/zinc/24/03/26/179240326.db2.gz XDYGLCKMXQYPOC-UHFFFAOYSA-N 0 0 200.266 2.990 10 30 BFEERN CC[C@](C)(C#N)C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000367704708 347581295 /nfs/dbraw/zinc/58/12/95/347581295.db2.gz FTVPSNDNEVQIEI-YRGRVCCFSA-N 0 0 234.343 2.717 10 30 BFEERN C[Si](C)(C)CCOCn1cccc1C#N ZINC000196010582 347763852 /nfs/dbraw/zinc/76/38/52/347763852.db2.gz JPONYXXKEGCOPT-UHFFFAOYSA-N 0 0 222.364 2.672 10 30 BFEERN C=CCCOCCOc1ccc(C#N)cc1 ZINC000037139066 166270122 /nfs/dbraw/zinc/27/01/22/166270122.db2.gz HSFLWUWDLVSQCJ-UHFFFAOYSA-N 0 0 217.268 2.530 10 30 BFEERN Cc1ccccc1N(C)CC[C@H](C#N)NC(C)C ZINC000062438461 179294486 /nfs/dbraw/zinc/29/44/86/179294486.db2.gz BKHGQQLLBGECLJ-CQSZACIVSA-N 0 0 245.370 2.712 10 30 BFEERN Cc1ccccc1N[C@@]1(C#N)CCSC1 ZINC000037937914 179307459 /nfs/dbraw/zinc/30/74/59/179307459.db2.gz IUHHBZIOTYZSCD-GFCCVEGCSA-N 0 0 218.325 2.806 10 30 BFEERN Cc1ccccc1OCc1cccnc1C#N ZINC000061664760 179312506 /nfs/dbraw/zinc/31/25/06/179312506.db2.gz CXXGGXRLVVQKGC-UHFFFAOYSA-N 0 0 224.263 2.841 10 30 BFEERN N#CN=C(Nc1ccccc1)Nc1ccccc1 ZINC000196748395 348019200 /nfs/dbraw/zinc/01/92/00/348019200.db2.gz LTNRMTGLTXUICE-UHFFFAOYSA-N 0 0 236.278 2.857 10 30 BFEERN Cc1cccnc1CN[C@@H]1CCCC[C@@H]1C#N ZINC000071340123 179383167 /nfs/dbraw/zinc/38/31/67/179383167.db2.gz JFFRDIMJPYHHJU-CHWSQXEVSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1nc(CN[C@H]2CCCC[C@@H]2C#N)sc1C ZINC000595688979 348315042 /nfs/dbraw/zinc/31/50/42/348315042.db2.gz JQUWLSDSZWPDDI-NEPJUHHUSA-N 0 0 249.383 2.932 10 30 BFEERN Cc1ccn2nc(-c3ccc(N)cc3)cc2c1C#N ZINC000072226117 179413815 /nfs/dbraw/zinc/41/38/15/179413815.db2.gz PSFJWBKRFKLLPC-UHFFFAOYSA-N 0 0 248.289 2.764 10 30 BFEERN N#CCC(=O)c1cscc1Br ZINC000404816451 362917306 /nfs/dbraw/zinc/91/73/06/362917306.db2.gz PWXMJWCOQDTVSJ-UHFFFAOYSA-N 0 0 230.086 2.607 10 30 BFEERN N#CCc1ccc(N[C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597084343 348655359 /nfs/dbraw/zinc/65/53/59/348655359.db2.gz SCCJQBRTQIZCNC-CABCVRRESA-N 0 0 242.322 2.732 10 30 BFEERN C=CC[C@@H](O)C[C@H](CCCCC)OC ZINC000198385907 348714822 /nfs/dbraw/zinc/71/48/22/348714822.db2.gz MPMFBFHSYFZUTQ-NEPJUHHUSA-N 0 0 200.322 2.909 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000597339783 348720446 /nfs/dbraw/zinc/72/04/46/348720446.db2.gz NZAQEVMZQHFBTF-AGIUHOORSA-N 0 0 246.354 2.765 10 30 BFEERN COc1ccc(C#Cc2cccc(N)c2)cc1 ZINC000037547768 348846153 /nfs/dbraw/zinc/84/61/53/348846153.db2.gz VCTOWTCEALJPRO-UHFFFAOYSA-N 0 0 223.275 2.677 10 30 BFEERN Nc1cccc(C#Cc2ccc(F)c(F)c2)c1 ZINC000037547844 348847901 /nfs/dbraw/zinc/84/79/01/348847901.db2.gz CVTDTERNGGBVLT-UHFFFAOYSA-N 0 0 229.229 2.947 10 30 BFEERN Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cc1C#N ZINC000599342405 349152768 /nfs/dbraw/zinc/15/27/68/349152768.db2.gz QBGYHOKZZMYBFY-DZGCQCFKSA-N 0 0 226.323 2.851 10 30 BFEERN Cc1csc(CNCc2ccccc2C#N)n1 ZINC000038091631 179776652 /nfs/dbraw/zinc/77/66/52/179776652.db2.gz RHUMMGSGTSXUAG-UHFFFAOYSA-N 0 0 243.335 2.613 10 30 BFEERN Cc1cccc(C#CC[C@H](O)C(F)(F)F)c1 ZINC000616581087 349261832 /nfs/dbraw/zinc/26/18/32/349261832.db2.gz DDFANUWQWFOIJX-NSHDSACASA-N 0 0 228.213 2.660 10 30 BFEERN O[C@H](CC#CCc1ccccc1)C(F)(F)F ZINC000616581461 349264646 /nfs/dbraw/zinc/26/46/46/349264646.db2.gz SGHPWSJDDJHGKE-LLVKDONJSA-N 0 0 228.213 2.546 10 30 BFEERN C=CCCC(=O)c1cccc(F)c1OC ZINC000394692583 349281672 /nfs/dbraw/zinc/28/16/72/349281672.db2.gz PPQCKVCYVNRQRA-UHFFFAOYSA-N 0 0 208.232 2.983 10 30 BFEERN Cc1nc(C#C[Si](C)(C)C)c(C)s1 ZINC000196150310 179875664 /nfs/dbraw/zinc/87/56/64/179875664.db2.gz DNCIFBHVCUVKEP-UHFFFAOYSA-N 0 0 209.390 2.989 10 30 BFEERN Cc1nc(C)c(-c2cc(CS)no2)s1 ZINC000725253767 538039042 /nfs/dbraw/zinc/03/90/42/538039042.db2.gz KUENEDUMLXOMRU-UHFFFAOYSA-N 0 0 226.326 2.845 10 30 BFEERN CCOC(C=C=CC(=O)c1ccccc1)OCC ZINC000725254068 538042703 /nfs/dbraw/zinc/04/27/03/538042703.db2.gz FHZBODZSHLGWAW-UHFFFAOYSA-N 0 0 246.306 2.662 10 30 BFEERN SCc1cc(-c2ccc(Cl)cn2)on1 ZINC000725253900 538039745 /nfs/dbraw/zinc/03/97/45/538039745.db2.gz QBALKGDAQKVKAQ-UHFFFAOYSA-N 0 0 226.688 2.820 10 30 BFEERN Cc1ccncc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000185868514 349376219 /nfs/dbraw/zinc/37/62/19/349376219.db2.gz SAAFSLSWEBDPTJ-VXGBXAGGSA-N 0 0 215.300 2.884 10 30 BFEERN O=CC[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000159376432 350082345 /nfs/dbraw/zinc/08/23/45/350082345.db2.gz IHDCTFFQYHGLQV-VIFPVBQESA-N 0 0 219.067 2.616 10 30 BFEERN O=CC[C@@H](O)c1c(Cl)cccc1Cl ZINC000159363446 350068641 /nfs/dbraw/zinc/06/86/41/350068641.db2.gz DHGMUZLJGANIPS-MRVPVSSYSA-N 0 0 219.067 2.616 10 30 BFEERN CC(C)(C)[S@@](=O)/N=C/c1cc(F)ccc1F ZINC000309153300 350108212 /nfs/dbraw/zinc/10/82/12/350108212.db2.gz LLUKQQYCLSLLMV-SNQWNFELSA-N 0 0 245.294 2.846 10 30 BFEERN N#C[C@@]1(c2ccccc2)CCCC2(C1)OCCO2 ZINC000039209129 350113495 /nfs/dbraw/zinc/11/34/95/350113495.db2.gz WLHXKOWPIVULJU-CQSZACIVSA-N 0 0 243.306 2.765 10 30 BFEERN CC[C@](CC#N)(Cc1ccccc1)C(=O)OC ZINC000039076693 350115302 /nfs/dbraw/zinc/11/53/02/350115302.db2.gz MKNDDKRPUUCZCK-AWEZNQCLSA-N 0 0 231.295 2.712 10 30 BFEERN C=CCOc1cc2oc(=O)ccc2cc1C ZINC000039477194 350117032 /nfs/dbraw/zinc/11/70/32/350117032.db2.gz BFCOCORQGFTXRJ-UHFFFAOYSA-N 0 0 216.236 2.666 10 30 BFEERN c1ccc(COCCCC[C@H]2CO2)cc1 ZINC000034329944 350169076 /nfs/dbraw/zinc/16/90/76/350169076.db2.gz YQJNAANKVUNKKC-ZDUSSCGKSA-N 0 0 206.285 2.772 10 30 BFEERN CCCCc1c(C)[nH]c2c(c1=O)[C@H](C)C(=O)N2 ZINC000100102856 191062140 /nfs/dbraw/zinc/06/21/40/191062140.db2.gz JBBSGHIYRHHJDB-XVKPBYJWSA-N 0 0 234.299 2.654 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1n1cc(Cl)cn1 ZINC000038053527 350300330 /nfs/dbraw/zinc/30/03/30/350300330.db2.gz XYDSBESPPIGNTE-WCBMZHEXSA-N 0 0 209.680 2.791 10 30 BFEERN C[C@@H]1C[C@@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000069052391 350323501 /nfs/dbraw/zinc/32/35/01/350323501.db2.gz ZWBNSVMLPDITBH-RNCFNFMXSA-N 0 0 223.279 2.927 10 30 BFEERN N#CCc1ccc(O[C@@H]2CCCCO2)cc1 ZINC000039214190 350331654 /nfs/dbraw/zinc/33/16/54/350331654.db2.gz IHOOKYJGJVMIBW-CYBMUJFWSA-N 0 0 217.268 2.658 10 30 BFEERN C#CCC(=O)C1(OC)CCC(C)(C)CC1 ZINC000159457351 350391261 /nfs/dbraw/zinc/39/12/61/350391261.db2.gz MIDAFODJNJXERN-UHFFFAOYSA-N 0 0 208.301 2.564 10 30 BFEERN Cc1nn(C)c(O[C@H]2CCCC[C@@H]2C)c1C#N ZINC000104312444 180359751 /nfs/dbraw/zinc/35/97/51/180359751.db2.gz CLACOTXGHPLTOS-CABZTGNLSA-N 0 0 233.315 2.558 10 30 BFEERN Cc1nnc(N(CC2CC2)C(C)C)c(C#N)c1C ZINC000042591986 180421496 /nfs/dbraw/zinc/42/14/96/180421496.db2.gz CUYFCAMJRKKTAN-UHFFFAOYSA-N 0 0 244.342 2.590 10 30 BFEERN CCCCCC(=O)Nc1ccc(C#CCO)cc1 ZINC000037548525 168641718 /nfs/dbraw/zinc/64/17/18/168641718.db2.gz HWBPZEHHLNJIDL-UHFFFAOYSA-N 0 0 245.322 2.549 10 30 BFEERN N#Cc1cccc(OC(F)F)c1Br ZINC000238528692 350770757 /nfs/dbraw/zinc/77/07/57/350770757.db2.gz UEMPLBPQSXAMLX-UHFFFAOYSA-N 0 0 248.026 2.922 10 30 BFEERN COC(=O)N1CCCC[C@H]1c1ccccc1C#N ZINC000616616931 350857637 /nfs/dbraw/zinc/85/76/37/350857637.db2.gz ZTCFWXMAIXSNOY-ZDUSSCGKSA-N 0 0 244.294 2.852 10 30 BFEERN CC1CCC(C=O)(C[C@@H]2CCCO2)CC1 ZINC000306730091 350900341 /nfs/dbraw/zinc/90/03/41/350900341.db2.gz PFSVPNDFAKSRCM-CPCZMJQVSA-N 0 0 210.317 2.951 10 30 BFEERN Cc1ccccc1[C@H]1CC[C@@](C)(C=O)O1 ZINC000306732297 350902540 /nfs/dbraw/zinc/90/25/40/350902540.db2.gz RRMXJJUOMGNHTJ-OLZOCXBDSA-N 0 0 204.269 2.804 10 30 BFEERN C[C@@H]1C[C@H](C)C[C@@]2(CC[C@@](C)(C=O)O2)C1 ZINC000306723727 350890522 /nfs/dbraw/zinc/89/05/22/350890522.db2.gz HLYNOOZIPCYLNF-RNJOBUHISA-N 0 0 210.317 2.949 10 30 BFEERN C=C(C)[C@@H](NN)c1cc(F)ccc1Cl ZINC000306724948 350891924 /nfs/dbraw/zinc/89/19/24/350891924.db2.gz JOCACEMESUACRY-SNVBAGLBSA-N 0 0 214.671 2.560 10 30 BFEERN C[C@@H]1CCC[C@](C=O)(C2CCOCC2)C1 ZINC000306724174 350893031 /nfs/dbraw/zinc/89/30/31/350893031.db2.gz IGKJYAZREAZMAR-YPMHNXCESA-N 0 0 210.317 2.808 10 30 BFEERN CCCCCCCCC[S@](=O)CC(=O)OC ZINC000043335355 168651725 /nfs/dbraw/zinc/65/17/25/168651725.db2.gz RPIZDDDUAUZCNQ-MRXNPFEDSA-N 0 0 248.388 2.659 10 30 BFEERN C=CCCC[C@@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000398138155 351010218 /nfs/dbraw/zinc/01/02/18/351010218.db2.gz IAWXGQILNHMTMN-FVCCEPFGSA-N 0 0 221.344 2.894 10 30 BFEERN C=C1CCN(c2nc(Cl)c(C=O)s2)CC1 ZINC000306790343 351039367 /nfs/dbraw/zinc/03/93/67/351039367.db2.gz VODLJMUAYYSWJC-UHFFFAOYSA-N 0 0 242.731 2.765 10 30 BFEERN N#Cc1ccc([C@@H]2CCCCCN2C(N)=O)cc1 ZINC000616624002 351091003 /nfs/dbraw/zinc/09/10/03/351091003.db2.gz RAEBZQLXUIIHFT-ZDUSSCGKSA-N 0 0 243.310 2.554 10 30 BFEERN CC(=O)N1CCC[C@@H](c2cccc(C#N)c2)CC1 ZINC000616628278 351097521 /nfs/dbraw/zinc/09/75/21/351097521.db2.gz PAICQAIVQYFXNC-CQSZACIVSA-N 0 0 242.322 2.674 10 30 BFEERN CC(=O)N1CCC[C@H](c2cccc(C#N)c2)CC1 ZINC000616628680 351098440 /nfs/dbraw/zinc/09/84/40/351098440.db2.gz PAICQAIVQYFXNC-AWEZNQCLSA-N 0 0 242.322 2.674 10 30 BFEERN N#Cc1c(Cl)c(N)ccc1C(F)(F)F ZINC000306822833 351129066 /nfs/dbraw/zinc/12/90/66/351129066.db2.gz RRDRWADBRPMAKU-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN C=C(C)[C@@H]([NH3+])c1cc(Br)oc1C ZINC000306865312 351245259 /nfs/dbraw/zinc/24/52/59/351245259.db2.gz MKFSLWQVCNVIFP-SECBINFHSA-N 0 0 230.105 2.926 10 30 BFEERN CC#CCNc1ncc(Cl)cc1Cl ZINC000168009250 351251111 /nfs/dbraw/zinc/25/11/11/351251111.db2.gz XIMMBPADRDGBFV-UHFFFAOYSA-N 0 0 215.083 2.824 10 30 BFEERN CC(=O)/C(C)=C\c1sc(N(C)C)nc1Cl ZINC000231745395 351287931 /nfs/dbraw/zinc/28/79/31/351287931.db2.gz VUBRVUHGDZPVJW-WAYWQWQTSA-N 0 0 244.747 2.855 10 30 BFEERN N#Cc1cc(Cl)cc(N)c1C(F)(F)F ZINC000306905998 351320787 /nfs/dbraw/zinc/32/07/87/351320787.db2.gz YEIZRGIFMPPVJX-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN Cc1cc([N+](=O)[O-])cc(CC#N)c1Cl ZINC000306908860 351321704 /nfs/dbraw/zinc/32/17/04/351321704.db2.gz GVIUMFUTLHNAGR-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN CC(C)n1nccc1C1=CCCCC1=O ZINC000306874141 351268980 /nfs/dbraw/zinc/26/89/80/351268980.db2.gz ZFCDJAQTTFWZPL-UHFFFAOYSA-N 0 0 204.273 2.600 10 30 BFEERN Cc1ccc(CC#N)c([N+](=O)[O-])c1Cl ZINC000306974790 351394926 /nfs/dbraw/zinc/39/49/26/351394926.db2.gz MSHRAOGBAOTCSW-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN C=CCN(CC=C)c1ccc([N+](=O)[O-])cc1C=O ZINC000034936672 351350318 /nfs/dbraw/zinc/35/03/18/351350318.db2.gz PTVUYHAXBBYVRU-UHFFFAOYSA-N 0 0 246.266 2.586 10 30 BFEERN Cc1oc(Br)cc1C(=O)[C@H](C)C#N ZINC000306934809 351358162 /nfs/dbraw/zinc/35/81/62/351358162.db2.gz GRBKWAFULFBZMK-RXMQYKEDSA-N 0 0 242.072 2.693 10 30 BFEERN CC#CCCNc1ncc(Cl)s1 ZINC000306933018 351358883 /nfs/dbraw/zinc/35/88/83/351358883.db2.gz CQACMHFAXCYZIN-UHFFFAOYSA-N 0 0 200.694 2.622 10 30 BFEERN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](S)C2 ZINC000307071327 351465862 /nfs/dbraw/zinc/46/58/62/351465862.db2.gz GJHCXQVVHRGCDN-MYJAWHEDSA-N 0 0 243.372 2.847 10 30 BFEERN C=C(Br)COCCSCC ZINC000307133720 351493333 /nfs/dbraw/zinc/49/33/33/351493333.db2.gz YDADKPDIVZGGFC-UHFFFAOYSA-N 0 0 225.151 2.665 10 30 BFEERN COc1ccc(CN[C@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000405028384 351468895 /nfs/dbraw/zinc/46/88/95/351468895.db2.gz OILSLVUTEHZPIN-YGRLFVJLSA-N 0 0 248.301 2.616 10 30 BFEERN C[C@@H]1CC[C@@H](c2ncc(C#N)c(Cl)n2)C1 ZINC000307195078 351596322 /nfs/dbraw/zinc/59/63/22/351596322.db2.gz QSBBWTWXAZKLCK-HTQZYQBOSA-N 0 0 221.691 2.905 10 30 BFEERN C=C(C)C(=O)c1ccc(C(F)(F)F)cn1 ZINC000161115370 363077178 /nfs/dbraw/zinc/07/71/78/363077178.db2.gz DGTCWRCWIZRNNY-UHFFFAOYSA-N 0 0 215.174 2.859 10 30 BFEERN C[C@@H]1CC[C@H](C)[C@]2(CC[C@](C)(C=O)O2)C1 ZINC000307217845 351616458 /nfs/dbraw/zinc/61/64/58/351616458.db2.gz COOCBMQVPXQFOZ-XQHKEYJVSA-N 0 0 210.317 2.949 10 30 BFEERN C[C@@H]1CC[C@H](C)[C@]2(CC[C@@](C)(C=O)O2)C1 ZINC000307217844 351617009 /nfs/dbraw/zinc/61/70/09/351617009.db2.gz COOCBMQVPXQFOZ-VOAKCMCISA-N 0 0 210.317 2.949 10 30 BFEERN CC[C@H](S)C(=O)Nc1cscc1C ZINC000307215457 351618217 /nfs/dbraw/zinc/61/82/17/351618217.db2.gz DWLKOHMNOFQYKM-QMMMGPOBSA-N 0 0 215.343 2.703 10 30 BFEERN Cc1cc(Cl)cc(CC#N)c1[N+](=O)[O-] ZINC000307276765 351833983 /nfs/dbraw/zinc/83/39/83/351833983.db2.gz XOYSYCOCZNYBGQ-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN CC1(C)CC[C@]1(C#N)NCc1ccccc1 ZINC000307291588 351898766 /nfs/dbraw/zinc/89/87/66/351898766.db2.gz BTVDNEQMHRXPQP-CQSZACIVSA-N 0 0 214.312 2.859 10 30 BFEERN C=C(C(=O)OCC)[C@H](O)c1ccc(C(C)C)cc1 ZINC000019836158 187544760 /nfs/dbraw/zinc/54/47/60/187544760.db2.gz DDFJHGVFSKGJOG-AWEZNQCLSA-N 0 0 248.322 2.963 10 30 BFEERN C=CCOc1ccc2cc(C(=O)NO)ccc2c1 ZINC000028109082 187546914 /nfs/dbraw/zinc/54/69/14/187546914.db2.gz FENAEIHFSYBEND-UHFFFAOYSA-N 0 0 243.262 2.524 10 30 BFEERN CCCCc1c(C)[nH]c2c(c1=O)[C@@H](C)C(=O)N2 ZINC000100102860 187629858 /nfs/dbraw/zinc/62/98/58/187629858.db2.gz JBBSGHIYRHHJDB-XCBNKYQSSA-N 0 0 234.299 2.654 10 30 BFEERN C=C[C@@H]([NH2+]C)c1cscc1Br ZINC000404796315 352469473 /nfs/dbraw/zinc/46/94/73/352469473.db2.gz ICKUHKZBHFBESF-MRVPVSSYSA-N 0 0 232.146 2.957 10 30 BFEERN Cc1ccccc1C(=O)C1=COCCC1 ZINC000160006787 352557621 /nfs/dbraw/zinc/55/76/21/352557621.db2.gz RSJCHLPZWALPDB-UHFFFAOYSA-N 0 0 202.253 2.872 10 30 BFEERN CN[C@@H](C#N)c1cc(Cl)sc1Cl ZINC000307470115 352617098 /nfs/dbraw/zinc/61/70/98/352617098.db2.gz UXUSTJWBJFTBOM-YFKPBYRVSA-N 0 0 221.112 2.839 10 30 BFEERN C=CCc1cc(C(=O)OCC)ccc1C ZINC000039169229 352579185 /nfs/dbraw/zinc/57/91/85/352579185.db2.gz AQYWFDZJDCERNL-UHFFFAOYSA-N 0 0 204.269 2.900 10 30 BFEERN O=C1C=CO[C@@H](c2sccc2Cl)C1 ZINC000307545255 352644300 /nfs/dbraw/zinc/64/43/00/352644300.db2.gz JGXPOZPDKCDOHI-MRVPVSSYSA-N 0 0 214.673 2.946 10 30 BFEERN C[C@]1(CC#N)CC[C@@](C)(C(F)(F)F)O1 ZINC000307553672 352648924 /nfs/dbraw/zinc/64/89/24/352648924.db2.gz LLYHCPOQAVAHBD-SFYZADRCSA-N 0 0 207.195 2.790 10 30 BFEERN CC[C@H](C)Nc1c(Cl)nsc1C#N ZINC000307601724 352667781 /nfs/dbraw/zinc/66/77/81/352667781.db2.gz SLALKYZDZMOUCJ-YFKPBYRVSA-N 0 0 215.709 2.879 10 30 BFEERN C=C[C@@H](C)Nc1nc(Br)cs1 ZINC000229241867 352669193 /nfs/dbraw/zinc/66/91/93/352669193.db2.gz SNJOXXLMUDBVSG-RXMQYKEDSA-N 0 0 233.134 2.892 10 30 BFEERN Cc1c(CC#N)cc(Cl)cc1[N+](=O)[O-] ZINC000307526869 352634974 /nfs/dbraw/zinc/63/49/74/352634974.db2.gz JOQUWNJCWJZRSW-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN C[Si](C)(C)C#CC1(Br)CC1 ZINC000725273835 538104738 /nfs/dbraw/zinc/10/47/38/538104738.db2.gz MGBBZXIRFJKWFY-UHFFFAOYSA-N 0 0 217.182 2.795 10 30 BFEERN CC[C@]1(c2ccco2)CCC[C@@H](C=O)O1 ZINC000307622190 352692342 /nfs/dbraw/zinc/69/23/42/352692342.db2.gz KWVYNOKVRTVLRP-CMPLNLGQSA-N 0 0 208.257 2.653 10 30 BFEERN CCc1nn(CC)c(CS)c1Cl ZINC000307623076 352693813 /nfs/dbraw/zinc/69/38/13/352693813.db2.gz QLKIFMPPMGYORX-UHFFFAOYSA-N 0 0 204.726 2.549 10 30 BFEERN CCOc1ccc(C2=CC(=O)CC2)cc1 ZINC000032010052 352732944 /nfs/dbraw/zinc/73/29/44/352732944.db2.gz JMZCVZAIYUYCDG-UHFFFAOYSA-N 0 0 202.253 2.832 10 30 BFEERN CC[C@](C)(C#N)c1nc(C(C)C)ns1 ZINC000307641938 352734776 /nfs/dbraw/zinc/73/47/76/352734776.db2.gz KHQGVZXHXZPYCM-SNVBAGLBSA-N 0 0 209.318 2.853 10 30 BFEERN C#CC[C@H](C)Nc1cc(Br)ccn1 ZINC000307658663 352744237 /nfs/dbraw/zinc/74/42/37/352744237.db2.gz AVGQQNNBCVMEOB-QMMMGPOBSA-N 0 0 239.116 2.668 10 30 BFEERN CC(C)(C)Cc1noc(-c2ccc(C#N)cn2)n1 ZINC000232493204 352754425 /nfs/dbraw/zinc/75/44/25/352754425.db2.gz KFZZYRUSXMKHFH-UHFFFAOYSA-N 0 0 242.282 2.592 10 30 BFEERN O=C(c1sccc1F)C1=CCCCO1 ZINC000307687868 352920917 /nfs/dbraw/zinc/92/09/17/352920917.db2.gz DVZJGHSNNQCBJP-UHFFFAOYSA-N 0 0 212.245 2.764 10 30 BFEERN C=CCCCC(=O)N[C@H]1CCOc2ccccc21 ZINC000175120517 187905352 /nfs/dbraw/zinc/90/53/52/187905352.db2.gz KDOHKTCNMIDSQE-ZDUSSCGKSA-N 0 0 245.322 2.983 10 30 BFEERN CCCCCC1=C(CC(=O)OC)CCC1=O ZINC000005820207 187929586 /nfs/dbraw/zinc/92/95/86/187929586.db2.gz GJYFXPRHTPSOMM-UHFFFAOYSA-N 0 0 224.300 2.789 10 30 BFEERN O=C[C@H]1CCC[C@@H](c2ccc(F)cc2)O1 ZINC000306639267 353031503 /nfs/dbraw/zinc/03/15/03/353031503.db2.gz CNIGVYIMMYQNND-NEPJUHHUSA-N 0 0 208.232 2.635 10 30 BFEERN C[C@H](S)C(=O)Nc1ccsc1Cl ZINC000306747239 353037246 /nfs/dbraw/zinc/03/72/46/353037246.db2.gz JCNOUXLJWPHXDZ-BYPYZUCNSA-N 0 0 221.734 2.658 10 30 BFEERN CC(C)c1nsc(C2(C#N)CCC2)n1 ZINC000306246869 352999352 /nfs/dbraw/zinc/99/93/52/352999352.db2.gz VSLPUUHEZACRKR-UHFFFAOYSA-N 0 0 207.302 2.607 10 30 BFEERN SCCOc1ccc(Br)cc1 ZINC000019421237 187934291 /nfs/dbraw/zinc/93/42/91/187934291.db2.gz VMGCBRKGEZCTPN-UHFFFAOYSA-N 0 0 233.130 2.758 10 30 BFEERN CC(C)N(CC(F)(F)F)c1ncccc1C#N ZINC000042780631 187948195 /nfs/dbraw/zinc/94/81/95/187948195.db2.gz ISHXILWGCXXHGF-UHFFFAOYSA-N 0 0 243.232 2.730 10 30 BFEERN N#Cc1ccc(-c2noc3ccc(N)cc32)cc1 ZINC000082301196 187967421 /nfs/dbraw/zinc/96/74/21/187967421.db2.gz GQJCTQSUCQARMI-UHFFFAOYSA-N 0 0 235.246 2.949 10 30 BFEERN ON=C1CCN(Cc2ccc(Cl)s2)CC1 ZINC000019472997 188002535 /nfs/dbraw/zinc/00/25/35/188002535.db2.gz HBKRWGBKFDBEHT-UHFFFAOYSA-N 0 0 244.747 2.828 10 30 BFEERN C=C(C)CSc1nnc(-c2cccnc2)o1 ZINC000045951879 187981252 /nfs/dbraw/zinc/98/12/52/187981252.db2.gz WQXXJYQLWGXQPB-UHFFFAOYSA-N 0 0 233.296 2.800 10 30 BFEERN N#C[C@@H](C(=O)c1ccoc1)c1cccs1 ZINC000052902698 353131938 /nfs/dbraw/zinc/13/19/38/353131938.db2.gz SWMIXMUERVCACN-SECBINFHSA-N 0 0 217.249 2.831 10 30 BFEERN C=C(C)CN(CC)C(=O)c1cc(N)c(C)s1 ZINC000040309149 188042654 /nfs/dbraw/zinc/04/26/54/188042654.db2.gz ZSSCXBTVCYEWDY-UHFFFAOYSA-N 0 0 238.356 2.677 10 30 BFEERN C=CCCNc1cncc(Br)c1 ZINC000229329754 353121212 /nfs/dbraw/zinc/12/12/12/353121212.db2.gz ROGBWAGNDPKDLD-UHFFFAOYSA-N 0 0 227.105 2.832 10 30 BFEERN CC(C)COCc1cccc(C#CCCO)c1 ZINC000049620948 188045771 /nfs/dbraw/zinc/04/57/71/188045771.db2.gz NLXAFPBRYBJUKQ-UHFFFAOYSA-N 0 0 232.323 2.593 10 30 BFEERN C[C@@H]1C[C@@H]1NC(=O)Nc1cnc2c(c1)CCCC2 ZINC000329465193 538109033 /nfs/dbraw/zinc/10/90/33/538109033.db2.gz RGUWGCNYIQSUNV-RNCFNFMXSA-N 0 0 245.326 2.504 10 30 BFEERN C#CCn1c(N)c(CC(C)(C)C)[nH+]c1C(C)(C)C ZINC000103836124 188051503 /nfs/dbraw/zinc/05/15/03/188051503.db2.gz NPDZLLXRELYCDP-UHFFFAOYSA-N 0 0 247.386 2.985 10 30 BFEERN Cc1nc(C#Cc2ccsc2)cs1 ZINC000013680903 188051810 /nfs/dbraw/zinc/05/18/10/188051810.db2.gz DWHLLFJNQYENJN-UHFFFAOYSA-N 0 0 205.307 2.913 10 30 in-vivo BFEERN C=CCn1c(N)c(C2CCOCC2)[nH+]c1C(C)C ZINC000103545786 188051957 /nfs/dbraw/zinc/05/19/57/188051957.db2.gz GITPVEGIDQJMRJ-UHFFFAOYSA-N 0 0 249.358 2.669 10 30 BFEERN CCO/C=C1/Cc2ccc(C)cc2C1=O ZINC000129386295 538108917 /nfs/dbraw/zinc/10/89/17/538108917.db2.gz VTBVIAIOMOSOBG-FLIBITNWSA-N 0 0 202.253 2.654 10 30 BFEERN CC1(C)CC[C@@]2(O[C@@H]2C#N)c2ccccc21 ZINC000309419641 538112037 /nfs/dbraw/zinc/11/20/37/538112037.db2.gz BNOLMVKILUWWHP-TZMCWYRMSA-N 0 0 213.280 2.876 10 30 BFEERN CC#CCN1CCCC[C@H]1c1nccs1 ZINC000160008864 353252637 /nfs/dbraw/zinc/25/26/37/353252637.db2.gz OJOOZNGDWXXZDW-NSHDSACASA-N 0 0 220.341 2.693 10 30 BFEERN N#Cc1cc(Br)ccc1NC1CC1 ZINC000165240341 353260584 /nfs/dbraw/zinc/26/05/84/353260584.db2.gz HTMGTHUNGQGESX-UHFFFAOYSA-N 0 0 237.100 2.895 10 30 BFEERN CC(C)[C@H](C)Nc1cc(N)c(C#N)s1 ZINC000232714784 353268285 /nfs/dbraw/zinc/26/82/85/353268285.db2.gz KHWRRVHHMCYJOZ-ZETCQYMHSA-N 0 0 209.318 2.658 10 30 BFEERN C=C(C(=O)OC)[C@@H](O)c1cccc2ccccc21 ZINC000019835978 188231801 /nfs/dbraw/zinc/23/18/01/188231801.db2.gz FCFPKNIVVUFUBX-CQSZACIVSA-N 0 0 242.274 2.602 10 30 BFEERN C#Cc1cccc(Nc2ccc(C#N)cn2)c1 ZINC000019475227 188232127 /nfs/dbraw/zinc/23/21/27/188232127.db2.gz HJSGFECNJWJOTB-UHFFFAOYSA-N 0 0 219.247 2.678 10 30 BFEERN C#CCOc1ccc(Cl)cc1C[NH2+]C(C)C ZINC000037703567 188254910 /nfs/dbraw/zinc/25/49/10/188254910.db2.gz AOGWSNQRFLNFKS-UHFFFAOYSA-N 0 0 237.730 2.850 10 30 BFEERN N#Cc1ccc(-c2nc3cc(N)ccc3[nH]2)cc1 ZINC000019518252 188281462 /nfs/dbraw/zinc/28/14/62/188281462.db2.gz IAZNSWPJYJMSHK-UHFFFAOYSA-N 0 0 234.262 2.684 10 30 BFEERN C/C(=N\c1nc2ccccc2s1)N(C)C ZINC000034579161 188284939 /nfs/dbraw/zinc/28/49/39/188284939.db2.gz NHMZRTYJGHPYTI-XYOKQWHBSA-N 0 0 219.313 2.908 10 30 BFEERN CC(C)C[C@H](C#N)NCc1ccccc1 ZINC000037939435 188289090 /nfs/dbraw/zinc/28/90/90/188289090.db2.gz MQDGIRUPEINBDB-CYBMUJFWSA-N 0 0 202.301 2.714 10 30 BFEERN SCCOc1ccccc1Br ZINC000041260179 188293159 /nfs/dbraw/zinc/29/31/59/188293159.db2.gz ANLOXIMJYVQYAE-UHFFFAOYSA-N 0 0 233.130 2.758 10 30 BFEERN CC(C)N(CCC#N)Cc1cc(F)ccc1N ZINC000042528561 188293313 /nfs/dbraw/zinc/29/33/13/188293313.db2.gz RDGBJMJGVMVHNO-UHFFFAOYSA-N 0 0 235.306 2.532 10 30 BFEERN N#CCCN(Cc1cccc(F)c1F)C1CC1 ZINC000042359536 188293964 /nfs/dbraw/zinc/29/39/64/188293964.db2.gz QIRIPBBHMZTXMU-UHFFFAOYSA-N 0 0 236.265 2.843 10 30 BFEERN CCC[C@H](C#N)C(=O)N1CCCC[C@H]1CC ZINC000044814908 188296559 /nfs/dbraw/zinc/29/65/59/188296559.db2.gz YHUCURNOYNKHDN-VXGBXAGGSA-N 0 0 222.332 2.717 10 30 BFEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC[C@H](N)C#N ZINC000062442624 188303518 /nfs/dbraw/zinc/30/35/18/188303518.db2.gz YBDIEJALEBTNCA-XJFOESAGSA-N 0 0 238.375 2.705 10 30 BFEERN Cc1ccc(C(=O)CN(C)[C@@H](C)CC#N)c(C)c1 ZINC000063087387 188304083 /nfs/dbraw/zinc/30/40/83/188304083.db2.gz XJIHZTGURMHRAM-ZDUSSCGKSA-N 0 0 244.338 2.720 10 30 BFEERN CCCn1cc(C#N)c(=O)c2c(C)cc(C)cc21 ZINC000072237062 188306742 /nfs/dbraw/zinc/30/67/42/188306742.db2.gz OKTHLBNEQNWUGI-UHFFFAOYSA-N 0 0 240.306 2.900 10 30 BFEERN CC(Nc1ccccc1C)=C1C(=O)CSC1=O ZINC000103695743 188323707 /nfs/dbraw/zinc/32/37/07/188323707.db2.gz MFSMVGUQHOOSGE-FMIVXFBMSA-N 0 0 247.319 2.523 10 30 BFEERN C#CC[C@@H](O)c1ccc(C)cc1Br ZINC000129701619 353324682 /nfs/dbraw/zinc/32/46/82/353324682.db2.gz STZVNFNXVALQPJ-LLVKDONJSA-N 0 0 239.112 2.814 10 30 BFEERN N#Cc1cncc(C(F)(F)F)c1OC1CC1 ZINC000095736348 188320311 /nfs/dbraw/zinc/32/03/11/188320311.db2.gz JDSBDBBCNSYWCT-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN C=C(Cl)CNc1ccc(OC)c(F)c1 ZINC000037681283 188325728 /nfs/dbraw/zinc/32/57/28/188325728.db2.gz BPRPBSMSGCGDCA-UHFFFAOYSA-N 0 0 215.655 2.999 10 30 BFEERN N#Cc1cnc2c(Cl)c(Cl)ccc2c1N ZINC000050842503 188329368 /nfs/dbraw/zinc/32/93/68/188329368.db2.gz XTXJMSYKVKIXDV-UHFFFAOYSA-N 0 0 238.077 2.995 10 30 BFEERN N#CCSc1ccnc2ccc(F)cc21 ZINC000040175297 188338201 /nfs/dbraw/zinc/33/82/01/188338201.db2.gz KEWDHXFCEVHZHF-UHFFFAOYSA-N 0 0 218.256 2.990 10 30 BFEERN CC(C)C1=CC2=C(CCCC2)C(=O)C1=O ZINC000013821899 188343212 /nfs/dbraw/zinc/34/32/12/188343212.db2.gz FABCBYOTPUPRLE-UHFFFAOYSA-N 0 0 204.269 2.591 10 30 BFEERN C/C(=N\O)c1ccccc1OCC(C)C ZINC000019809272 188350777 /nfs/dbraw/zinc/35/07/77/188350777.db2.gz BQRNENZLLDYTFB-JLHYYAGUSA-N 0 0 207.273 2.920 10 30 BFEERN C[C@H]1CC(CNc2cnccc2C#N)C[C@H](C)O1 ZINC000282013505 188384963 /nfs/dbraw/zinc/38/49/63/188384963.db2.gz YALBGXMHVRKSQR-QWRGUYRKSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@H]1CC(CNc2cccc(C#N)n2)C[C@H](C)O1 ZINC000281737278 188385100 /nfs/dbraw/zinc/38/51/00/188385100.db2.gz DDZHJEVFMXFAPU-QWRGUYRKSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@H](Nc1cnc(C#N)cn1)c1cccs1 ZINC000070581205 188402035 /nfs/dbraw/zinc/40/20/35/188402035.db2.gz DSPMULKUPNORCX-QMMMGPOBSA-N 0 0 230.296 2.583 10 30 BFEERN C[Si](C)(C)C#C/C=C/Br ZINC000195780017 353813570 /nfs/dbraw/zinc/81/35/70/353813570.db2.gz HLZBLUKDUBOQPX-GQCTYLIASA-N 0 0 203.155 2.776 10 30 BFEERN N#CC(C#N)c1ccc(Br)cc1 ZINC000097054171 181027823 /nfs/dbraw/zinc/02/78/23/181027823.db2.gz ZOZOWXUZIYDYRQ-UHFFFAOYSA-N 0 0 221.057 2.580 10 30 BFEERN N#CC1(N)CCC(c2ccccc2)CC1 ZINC000022177031 181029524 /nfs/dbraw/zinc/02/95/24/181029524.db2.gz BIPBXYQSXPKCHI-UHFFFAOYSA-N 0 0 200.285 2.565 10 30 BFEERN N#CC1(NCc2cccs2)CCCC1 ZINC000037939628 181030261 /nfs/dbraw/zinc/03/02/61/181030261.db2.gz NYYZCTQIYDNPRI-UHFFFAOYSA-N 0 0 206.314 2.674 10 30 BFEERN N#CC[C@@H](NC1CCC1)c1ccccc1 ZINC000055019220 181044796 /nfs/dbraw/zinc/04/47/96/181044796.db2.gz DJFZFXABBVSRAH-CYBMUJFWSA-N 0 0 200.285 2.783 10 30 BFEERN N#CCc1noc(-c2ccc(F)cc2Cl)n1 ZINC000073641429 181051226 /nfs/dbraw/zinc/05/12/26/181051226.db2.gz AFOLAESYWDAIBR-UHFFFAOYSA-N 0 0 237.621 2.595 10 30 BFEERN N#C[C@@H](NCc1cccs1)c1ccc(O)cc1 ZINC000037939671 181056990 /nfs/dbraw/zinc/05/69/90/181056990.db2.gz PXYLSUHEOBLNBS-CYBMUJFWSA-N 0 0 244.319 2.808 10 30 BFEERN N#C[C@H](N)CCSc1cccc(Cl)c1 ZINC000062458540 181065170 /nfs/dbraw/zinc/06/51/70/181065170.db2.gz LTGPFRXFQZOFAA-SECBINFHSA-N 0 0 226.732 2.673 10 30 BFEERN N#C[C@@H](c1ccc(O)c(O)c1)N1CCCCCC1 ZINC000038086097 181057882 /nfs/dbraw/zinc/05/78/82/181057882.db2.gz JOQXLCUTFOPTPY-LBPRGKRZSA-N 0 0 246.310 2.538 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1cccs1 ZINC000054824867 181061131 /nfs/dbraw/zinc/06/11/31/181061131.db2.gz OQSYQWYDEPOKMF-GXSJLCMTSA-N 0 0 206.314 2.530 10 30 BFEERN N#C[C@H](C(=O)c1ccncc1)c1ccccc1F ZINC000049671701 181062570 /nfs/dbraw/zinc/06/25/70/181062570.db2.gz FPLAIHDAAQBUSU-LBPRGKRZSA-N 0 0 240.237 2.711 10 30 BFEERN N#C[C@H](C(=O)c1cccnc1)c1ccccc1 ZINC000005488915 181062629 /nfs/dbraw/zinc/06/26/29/181062629.db2.gz MRHMJGLJPOGNFH-ZDUSSCGKSA-N 0 0 222.247 2.572 10 30 BFEERN N#C[C@]1(Nc2ccccc2F)CCSC1 ZINC000037938850 181071828 /nfs/dbraw/zinc/07/18/28/181071828.db2.gz XIFLUKBGMWTYGF-LLVKDONJSA-N 0 0 222.288 2.637 10 30 BFEERN N#Cc1c(Cl)nccc1-c1ccc(O)cc1 ZINC000049821854 181071867 /nfs/dbraw/zinc/07/18/67/181071867.db2.gz YPUYMIVVJZEKFG-UHFFFAOYSA-N 0 0 230.654 2.979 10 30 BFEERN N#Cc1c(F)c(F)ccc1Br ZINC000075847050 181072766 /nfs/dbraw/zinc/07/27/66/181072766.db2.gz OIZRRRZYESNUND-UHFFFAOYSA-N 0 0 218.000 2.599 10 30 BFEERN N#Cc1c(Cl)nc2cccc(Cl)n12 ZINC000074375050 181073555 /nfs/dbraw/zinc/07/35/55/181073555.db2.gz YXNZKWCSLCYBQE-UHFFFAOYSA-N 0 0 212.039 2.513 10 30 BFEERN N#Cc1c(Cl)ccc(Cl)c1[N+](=O)[O-] ZINC000098178441 181074202 /nfs/dbraw/zinc/07/42/02/181074202.db2.gz ULERJNPIJQDHOF-UHFFFAOYSA-N 0 0 217.011 2.773 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1ccsc1 ZINC000061891134 181070049 /nfs/dbraw/zinc/07/00/49/181070049.db2.gz LMRKSZNLDYZBMA-GHMZBOCLSA-N 0 0 206.314 2.530 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)[C@H]1CCC(F)(F)C1 ZINC000301023046 363334675 /nfs/dbraw/zinc/33/46/75/363334675.db2.gz QQMRIBOZNZPYKW-DTWKUNHWSA-N 0 0 215.243 2.787 10 30 BFEERN N#Cc1cc(-c2cccc(Br)c2)no1 ZINC000000508235 181080328 /nfs/dbraw/zinc/08/03/28/181080328.db2.gz XWVIIYZGQFENLM-UHFFFAOYSA-N 0 0 249.067 2.976 10 30 BFEERN N#Cc1cccc(-c2ccc(O)c(C#N)c2)c1F ZINC000065341421 181080755 /nfs/dbraw/zinc/08/07/55/181080755.db2.gz GBIHXTGZYUJEST-UHFFFAOYSA-N 0 0 238.221 2.942 10 30 BFEERN N#Cc1cc(N)ccc1-c1cccs1 ZINC000041048945 181089021 /nfs/dbraw/zinc/08/90/21/181089021.db2.gz VBDQRERKUFXCEE-UHFFFAOYSA-N 0 0 200.266 2.869 10 30 BFEERN N#Cc1cc(N2CC[C@H]3CCCC[C@H]32)ccn1 ZINC000227977123 181089796 /nfs/dbraw/zinc/08/97/96/181089796.db2.gz NVFQAIXLUXQPEX-BXUZGUMPSA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1cc(N)cnc1Oc1ccc(F)c(F)c1 ZINC000037759385 181090461 /nfs/dbraw/zinc/09/04/61/181090461.db2.gz PWDKETGUOMCBTN-UHFFFAOYSA-N 0 0 247.204 2.606 10 30 BFEERN N#Cc1cc(O)cc(-c2csc(C=O)c2)c1 ZINC000065341381 181092016 /nfs/dbraw/zinc/09/20/16/181092016.db2.gz TVAFQYAPPNBCMR-UHFFFAOYSA-N 0 0 229.260 2.805 10 30 BFEERN N#Cc1ccc(COc2cccc(O)c2)cc1 ZINC000036896944 181111195 /nfs/dbraw/zinc/11/11/95/181111195.db2.gz UTMPAEGVAVTBJG-UHFFFAOYSA-N 0 0 225.247 2.843 10 30 BFEERN N#Cc1ccc(F)c(-c2cccc(C=O)c2O)c1 ZINC000065341875 181112397 /nfs/dbraw/zinc/11/23/97/181112397.db2.gz YLPOVZVAFLDFDW-UHFFFAOYSA-N 0 0 241.221 2.882 10 30 BFEERN N#Cc1ccc(N2CCC23CCCCC3)nc1 ZINC000365472476 181115600 /nfs/dbraw/zinc/11/56/00/181115600.db2.gz NMUARPPVDDVJJL-UHFFFAOYSA-N 0 0 227.311 2.866 10 30 BFEERN N#Cc1ccc(NC(C2CC2)C2CC2)c(N)c1 ZINC000049234702 181119170 /nfs/dbraw/zinc/11/91/70/181119170.db2.gz GLJNHBXOJDKLBI-UHFFFAOYSA-N 0 0 227.311 2.741 10 30 BFEERN N#Cc1ccc(NC(=O)c2ccc(O)cc2)cc1 ZINC000019480637 181119683 /nfs/dbraw/zinc/11/96/83/181119683.db2.gz UNMVLHFWEYZAHY-UHFFFAOYSA-N 0 0 238.246 2.516 10 30 BFEERN N#Cc1ccc(NCc2ccc(N)cc2)cc1 ZINC000037670960 181123793 /nfs/dbraw/zinc/12/37/93/181123793.db2.gz VHLQQAJHORJZND-UHFFFAOYSA-N 0 0 223.279 2.753 10 30 BFEERN N#Cc1ccc(Nc2cc(F)cc(F)c2)nc1 ZINC000019504182 181126454 /nfs/dbraw/zinc/12/64/54/181126454.db2.gz MFNPPWMYLCEVGY-UHFFFAOYSA-N 0 0 231.205 2.975 10 30 BFEERN N#Cc1ccc(NC[C@H]2CCCC[C@H]2O)cc1 ZINC000086015716 181123235 /nfs/dbraw/zinc/12/32/35/181123235.db2.gz PUZAIHWBDODJCX-TZMCWYRMSA-N 0 0 230.311 2.521 10 30 BFEERN N#Cc1ccc(NCc2ccco2)cc1C#N ZINC000083352467 181123334 /nfs/dbraw/zinc/12/33/34/181123334.db2.gz ZVRFORJRFCWNAC-UHFFFAOYSA-N 0 0 223.235 2.635 10 30 BFEERN N#Cc1cccc(-c2cn3ccccc3n2)c1 ZINC000096032493 181133828 /nfs/dbraw/zinc/13/38/28/181133828.db2.gz NWZPGJRUBPGLQN-UHFFFAOYSA-N 0 0 219.247 2.873 10 30 BFEERN N#Cc1cccc(C(=O)/C=C/c2ccncc2)c1 ZINC000013602146 181134056 /nfs/dbraw/zinc/13/40/56/181134056.db2.gz GNIYFGBBMBXAGL-SNAWJCMRSA-N 0 0 234.258 2.849 10 30 BFEERN N#Cc1cccc(N2CC[C@H]3CCCC[C@@H]32)n1 ZINC000135150711 181139564 /nfs/dbraw/zinc/13/95/64/181139564.db2.gz ZBORNHFIRCVLLC-YPMHNXCESA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1cccc(Oc2cc(C#N)ccn2)c1 ZINC000019431420 181142632 /nfs/dbraw/zinc/14/26/32/181142632.db2.gz CSTCNJPKDGRDTR-UHFFFAOYSA-N 0 0 221.219 2.617 10 30 BFEERN N#Cc1cccc(Oc2ccc(C#N)c(F)c2)n1 ZINC000134005541 181142995 /nfs/dbraw/zinc/14/29/95/181142995.db2.gz GXHGSKKKKILRQA-UHFFFAOYSA-N 0 0 239.209 2.756 10 30 BFEERN N#Cc1ccccc1COCc1ccco1 ZINC000019503385 181147180 /nfs/dbraw/zinc/14/71/80/181147180.db2.gz GWOFYAZPOWVHCH-UHFFFAOYSA-N 0 0 213.236 2.868 10 30 BFEERN N#Cc1ccccc1NC[C@H]1CCCCO1 ZINC000035216822 181148111 /nfs/dbraw/zinc/14/81/11/181148111.db2.gz MTQKWGZYJJJRKT-GFCCVEGCSA-N 0 0 216.284 2.539 10 30 BFEERN N#Cc1ccccc1NCC[C@@H]1CCCO1 ZINC000037987017 181148499 /nfs/dbraw/zinc/14/84/99/181148499.db2.gz GWEHQVUYICMDOR-LBPRGKRZSA-N 0 0 216.284 2.539 10 30 BFEERN N#Cc1ccccc1N[C@H]1CCC[C@@H]1C#N ZINC000054823940 181148683 /nfs/dbraw/zinc/14/86/83/181148683.db2.gz CBJFGWFVPAWKRX-YPMHNXCESA-N 0 0 211.268 2.662 10 30 BFEERN N#Cc1ccccc1NCc1ccc(N)cc1 ZINC000037670977 181149028 /nfs/dbraw/zinc/14/90/28/181149028.db2.gz ZYIBGDFPEBXVOK-UHFFFAOYSA-N 0 0 223.279 2.753 10 30 BFEERN N#Cc1ccccc1N[C@H](CO)c1ccccc1 ZINC000063001532 181149349 /nfs/dbraw/zinc/14/93/49/181149349.db2.gz XDJWUOIFJHDDBA-OAHLLOKOSA-N 0 0 238.290 2.704 10 30 BFEERN CC(C)c1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000335160448 354911183 /nfs/dbraw/zinc/91/11/83/354911183.db2.gz XIEYSUQWJVXYIO-CYBMUJFWSA-N 0 0 231.299 2.918 10 30 BFEERN N#Cc1ccnc(Oc2ccc(N)cc2Cl)c1 ZINC000036667264 181158086 /nfs/dbraw/zinc/15/80/86/181158086.db2.gz KGLRSGVVHACZOC-UHFFFAOYSA-N 0 0 245.669 2.981 10 30 BFEERN N#Cc1ccnc(Oc2ccccc2[N+](=O)[O-])c1 ZINC000037980021 181158322 /nfs/dbraw/zinc/15/83/22/181158322.db2.gz KHNFCMCIBCJXBS-UHFFFAOYSA-N 0 0 241.206 2.654 10 30 BFEERN N#Cc1nc2ccc(F)cc2c2ncccc12 ZINC000026459729 181169817 /nfs/dbraw/zinc/16/98/17/181169817.db2.gz NHRYFKQDWBDEMP-UHFFFAOYSA-N 0 0 223.210 2.794 10 30 BFEERN N#Cc1nc(C(F)(F)F)ccc1OC1CC1 ZINC000095736414 181167500 /nfs/dbraw/zinc/16/75/00/181167500.db2.gz VFIJWUYIETXRQU-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN CCCCC[C@@H]1/C(=N/O)CC[C@H]1CC(=O)OC ZINC000012618401 168740639 /nfs/dbraw/zinc/74/06/39/168740639.db2.gz NMOXUEJWSISUMP-AXNDHVTISA-N 0 0 241.331 2.986 10 30 BFEERN N#Cc1nccnc1Nc1ccc(F)cc1Cl ZINC000054379171 181175118 /nfs/dbraw/zinc/17/51/18/181175118.db2.gz BKKHRCYXRVTYHK-UHFFFAOYSA-N 0 0 248.648 2.884 10 30 BFEERN N/C(=N\O)c1ccccc1Oc1cccc(F)c1 ZINC000020076323 181180988 /nfs/dbraw/zinc/18/09/88/181180988.db2.gz UFGZHXRGWIDJPT-UHFFFAOYSA-N 0 0 246.241 2.713 10 30 BFEERN N/C(=N\O)c1ccccc1OCC1CCCCC1 ZINC000019808547 181180978 /nfs/dbraw/zinc/18/09/78/181180978.db2.gz SDNYVDCRDQGPMI-UHFFFAOYSA-N 0 0 248.326 2.740 10 30 BFEERN N/C(CSc1ccc2ccccc2c1)=N\O ZINC000005949350 181184129 /nfs/dbraw/zinc/18/41/29/181184129.db2.gz ZKEUFANNIHTNMR-UHFFFAOYSA-N 0 0 232.308 2.678 10 30 BFEERN N/C(CCCSc1ccccc1Cl)=N\O ZINC000019847792 181182481 /nfs/dbraw/zinc/18/24/81/181182481.db2.gz WEFWJDWOZCFFGC-UHFFFAOYSA-N 0 0 244.747 2.959 10 30 BFEERN N/N=C(\C=C/c1ccccc1)c1ccccc1O ZINC000095934785 181184867 /nfs/dbraw/zinc/18/48/67/181184867.db2.gz AVMGXXCTNFBLOD-DGLSXKDYSA-N 0 0 238.290 2.768 10 30 BFEERN CN[C@H](C#N)c1ccc(C)cc1Br ZINC000129641451 355766517 /nfs/dbraw/zinc/76/65/17/355766517.db2.gz AAIIWDRDOZLUQI-SNVBAGLBSA-N 0 0 239.116 2.542 10 30 BFEERN C[C@H]1CCN(C(C)(C)C#N)CC12CCC2 ZINC000336138532 134096742 /nfs/dbraw/zinc/09/67/42/134096742.db2.gz YISPTVOZUBVRGT-NSHDSACASA-N 0 0 206.333 2.801 10 30 BFEERN C[C@@H](Nc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000035238221 356422174 /nfs/dbraw/zinc/42/21/74/356422174.db2.gz GYNCABRLGDCZDN-ZWNOBZJWSA-N 0 0 216.284 2.538 10 30 BFEERN Fc1ccc(Cl)cc1NC1=NCCS1 ZINC000035284774 356474267 /nfs/dbraw/zinc/47/42/67/356474267.db2.gz OPNRTFHMSKGMET-UHFFFAOYSA-N 0 0 230.695 2.803 10 30 BFEERN C=C(Br)CNc1cc(F)ccc1N ZINC000168186719 356546410 /nfs/dbraw/zinc/54/64/10/356546410.db2.gz GRZYYMCPSXXHBU-UHFFFAOYSA-N 0 0 245.095 2.728 10 30 BFEERN CC[C@H](C#N)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094956722 363544084 /nfs/dbraw/zinc/54/40/84/363544084.db2.gz YTIWTJCJWVSLNQ-WDEREUQCSA-N 0 0 248.301 2.861 10 30 BFEERN CC[C@@H](C#N)C(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000094956721 363544554 /nfs/dbraw/zinc/54/45/54/363544554.db2.gz YTIWTJCJWVSLNQ-QWRGUYRKSA-N 0 0 248.301 2.861 10 30 BFEERN C#Cc1ccccc1NC(=O)C1CCCC1 ZINC000675078129 538515331 /nfs/dbraw/zinc/51/53/31/538515331.db2.gz BMEZYOFCBYATIZ-UHFFFAOYSA-N 0 0 213.280 2.797 10 30 BFEERN CC[C@H](CC#N)NC(=O)C[C@H](C)C(C)(C)C ZINC000108943383 134160221 /nfs/dbraw/zinc/16/02/21/134160221.db2.gz XNYKUVRUOGSWNK-WDEREUQCSA-N 0 0 224.348 2.867 10 30 BFEERN CC(=O)c1ccc(C#CC(=O)OC(C)(C)C)cc1 ZINC000675078547 538516473 /nfs/dbraw/zinc/51/64/73/538516473.db2.gz QPSPXKAILNFWJE-UHFFFAOYSA-N 0 0 244.290 2.582 10 30 BFEERN Cc1cccc(C#CC(=O)OC(C)(C)C)c1 ZINC000675079113 538517138 /nfs/dbraw/zinc/51/71/38/538517138.db2.gz WNNRHPKCFHNPNS-UHFFFAOYSA-N 0 0 216.280 2.688 10 30 BFEERN C#CCCCCC(=O)Nc1ccccc1C#C ZINC000675079606 538517848 /nfs/dbraw/zinc/51/78/48/538517848.db2.gz VGEXGQYBLXMGCY-UHFFFAOYSA-N 0 0 225.291 2.800 10 30 BFEERN CC#CCN1C[C@H](c2ccccc2)OCC1(C)C ZINC000160394904 356699265 /nfs/dbraw/zinc/69/92/65/356699265.db2.gz WZKJPVOVGMOEGE-OAHLLOKOSA-N 0 0 243.350 2.862 10 30 BFEERN CC[C@@H]1CCC[C@@]2(CC1)O[C@]2(C)C(=O)OC ZINC000085657878 538544552 /nfs/dbraw/zinc/54/45/52/538544552.db2.gz SSRQMSYERMNYPE-RTXFEEFZSA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@]1(C)C1CCCC1 ZINC000086182565 538550656 /nfs/dbraw/zinc/55/06/56/538550656.db2.gz SINGXAVGOYZENC-OLZOCXBDSA-N 0 0 226.316 2.533 10 30 BFEERN N#Cc1ccc(-c2nnc(C(F)F)o2)cc1 ZINC000675082716 538524573 /nfs/dbraw/zinc/52/45/73/538524573.db2.gz ZHFCFYQCVMDKOY-UHFFFAOYSA-N 0 0 221.166 2.546 10 30 BFEERN CCOC(=O)[C@@]1(CC)O[C@]12CCC(C)(C)C2 ZINC000087770709 538569153 /nfs/dbraw/zinc/56/91/53/538569153.db2.gz URAWWXVXOLUCIV-QWHCGFSZSA-N 0 0 226.316 2.677 10 30 BFEERN CCC[C@@]1(C2CCCC2)O[C@H]1C(=O)OCC ZINC000313410521 538579145 /nfs/dbraw/zinc/57/91/45/538579145.db2.gz FEULAUZFMQQUKA-AAEUAGOBSA-N 0 0 226.316 2.677 10 30 BFEERN CCCCCCC[C@]1(C)O[C@H]1C(=O)OC ZINC000091365781 538593014 /nfs/dbraw/zinc/59/30/14/538593014.db2.gz GCTJTXYQFNFPJV-JQWIXIFHSA-N 0 0 214.305 2.677 10 30 BFEERN CCCCCCC[C@@]1(C)O[C@@H]1C(=O)OC ZINC000091365782 538593602 /nfs/dbraw/zinc/59/36/02/538593602.db2.gz GCTJTXYQFNFPJV-ZYHUDNBSSA-N 0 0 214.305 2.677 10 30 BFEERN COc1ccc(NN=C2CCCC2=O)cc1C ZINC000584614430 358278770 /nfs/dbraw/zinc/27/87/70/358278770.db2.gz LWUNVDJLFVJGCQ-PTNGSMBKSA-N 0 0 232.283 2.525 10 30 BFEERN CCCCN(C)C1=CC(=O)C(=O)c2ccccc21 ZINC000584614584 358279684 /nfs/dbraw/zinc/27/96/84/358279684.db2.gz MHIMEWDKYBMKGU-UHFFFAOYSA-N 0 0 243.306 2.525 10 30 BFEERN C=C[C@@H](OC(C)=O)Sc1ccccc1 ZINC000584591660 358249719 /nfs/dbraw/zinc/24/97/19/358249719.db2.gz QILJBZRKLFQMAV-NSHDSACASA-N 0 0 208.282 2.854 10 30 BFEERN COc1cccc([C@@]2(CC=O)CCCCC2=O)c1 ZINC000584600721 358257676 /nfs/dbraw/zinc/25/76/76/358257676.db2.gz ZLIMBYDGZDXJKN-HNNXBMFYSA-N 0 0 246.306 2.665 10 30 BFEERN O=CC[C@@H](C(=O)c1ccccc1)C(F)(F)F ZINC000584631071 358260693 /nfs/dbraw/zinc/26/06/93/358260693.db2.gz QXNSTSSDTIBCAW-VIFPVBQESA-N 0 0 230.185 2.637 10 30 BFEERN C=C[C@@H]1C[C@@H](O)C[C@H]1OCc1ccccc1 ZINC000584602838 358260751 /nfs/dbraw/zinc/26/07/51/358260751.db2.gz DMLJKYMBOXQRBH-MGPQQGTHSA-N 0 0 218.296 2.529 10 30 BFEERN C#C[C@](OC)(c1ccc(C)cc1)C1(C#N)CC1 ZINC000584603164 358261455 /nfs/dbraw/zinc/26/14/55/358261455.db2.gz LJOZGYSAIKGGPC-HNNXBMFYSA-N 0 0 225.291 2.774 10 30 BFEERN C#C[C@](OC)(c1ccc(F)cc1)C1(C#N)CC1 ZINC000584603488 358261980 /nfs/dbraw/zinc/26/19/80/358261980.db2.gz ZAYPXYCDEUTFBS-AWEZNQCLSA-N 0 0 229.254 2.604 10 30 BFEERN CC(=O)C1=C(C)OC[C@H]1c1cccs1 ZINC000584615728 358280267 /nfs/dbraw/zinc/28/02/67/358280267.db2.gz MODMSGYSHLDNNR-VIFPVBQESA-N 0 0 208.282 2.725 10 30 BFEERN C=C(C(=O)OC)[C@@H](F)C1CCCCC1 ZINC000584606807 358266409 /nfs/dbraw/zinc/26/64/09/358266409.db2.gz WDFRGFBZAWQMCV-SNVBAGLBSA-N 0 0 200.253 2.634 10 30 BFEERN C=C[C@@](C(=O)OC)(c1ccccc1)C(F)(F)F ZINC000584606765 358266527 /nfs/dbraw/zinc/26/65/27/358266527.db2.gz RTYHBSSGJNZBPZ-NSHDSACASA-N 0 0 244.212 2.846 10 30 BFEERN COc1ccc(C(=O)C=C(C)F)cc1OC ZINC000584609726 358271076 /nfs/dbraw/zinc/27/10/76/358271076.db2.gz XUKIQZRRSWXZAS-SOFGYWHQSA-N 0 0 224.231 2.760 10 30 BFEERN CCCCCCCC/C(=C\CO)CO ZINC000584609929 358271853 /nfs/dbraw/zinc/27/18/53/358271853.db2.gz UAYQUFNDNBZFIC-FMIVXFBMSA-N 0 0 200.322 2.648 10 30 BFEERN CS/C=C(\OC(C)=O)c1ccc(C#N)cc1 ZINC000584610978 358274451 /nfs/dbraw/zinc/27/44/51/358274451.db2.gz ILSJSRYOEJYTNW-WQLSENKSSA-N 0 0 233.292 2.783 10 30 BFEERN N#C[C@H](c1ccc[nH]1)c1ccc(F)cc1 ZINC000584623439 358291447 /nfs/dbraw/zinc/29/14/47/358291447.db2.gz OHEZWJGEQPIUQI-NSHDSACASA-N 0 0 200.216 2.809 10 30 BFEERN CC1=CC(=O)c2[nH]c3cc(F)ccc3c2C1=O ZINC000584625146 358293749 /nfs/dbraw/zinc/29/37/49/358293749.db2.gz ASKZYWAXHAHTGT-UHFFFAOYSA-N 0 0 229.210 2.632 10 30 BFEERN N#C[C@@H](N)Cc1ccc2cccc(Cl)c2c1 ZINC000584626804 358296246 /nfs/dbraw/zinc/29/62/46/358296246.db2.gz POJPZHCANNNUPA-NSHDSACASA-N 0 0 230.698 2.887 10 30 BFEERN CCO[C@H](C#Cc1ccsc1)OC(C)C ZINC000584629933 358299123 /nfs/dbraw/zinc/29/91/23/358299123.db2.gz RRXQNCKBGGQGCH-LBPRGKRZSA-N 0 0 224.325 2.887 10 30 BFEERN COc1ccccc1S[C@@H](C)CC=O ZINC000584630529 358300574 /nfs/dbraw/zinc/30/05/74/358300574.db2.gz OLOKQVSJKHAXIC-VIFPVBQESA-N 0 0 210.298 2.765 10 30 BFEERN C=CC[C@H](C(C)=O)C(=O)SCCCC ZINC000584648074 358302805 /nfs/dbraw/zinc/30/28/05/358302805.db2.gz XEUPUCLIMPLOHE-SNVBAGLBSA-N 0 0 214.330 2.828 10 30 BFEERN C[C@H]1CC(=O)Nc2c1c(C#N)cn2C(C)(C)C ZINC000584661933 358312702 /nfs/dbraw/zinc/31/27/02/358312702.db2.gz KUXAZYXOIKOHRJ-QMMMGPOBSA-N 0 0 231.299 2.560 10 30 BFEERN C=C(C#Cc1cccc(Cl)c1)COC ZINC000584616499 358281442 /nfs/dbraw/zinc/28/14/42/358281442.db2.gz QGDPPNMBCLIWQE-UHFFFAOYSA-N 0 0 206.672 2.894 10 30 BFEERN C=CC[C@@H](CCO)COCc1ccccc1 ZINC000584638528 358324027 /nfs/dbraw/zinc/32/40/27/358324027.db2.gz AGMBOYDBZZCJOP-ZDUSSCGKSA-N 0 0 220.312 2.778 10 30 BFEERN C=CC[C@H](CC=O)COCc1ccccc1 ZINC000584639057 358324573 /nfs/dbraw/zinc/32/45/73/358324573.db2.gz XKAVZDMZDDRSRI-CYBMUJFWSA-N 0 0 218.296 2.985 10 30 BFEERN CCCCCCCCC[C@@H]1OC(=O)[C@@H]2O[C@@H]21 ZINC000043910404 358345812 /nfs/dbraw/zinc/34/58/12/358345812.db2.gz BQQLDDMYCVQUFR-QJPTWQEYSA-N 0 0 226.316 2.820 10 30 BFEERN CSC(=N)Nc1cc(C)ccc1Cl ZINC000231540093 358417883 /nfs/dbraw/zinc/41/78/83/358417883.db2.gz ILUMLOUMQXWNFH-UHFFFAOYSA-N 0 0 214.721 2.958 10 30 BFEERN BrC#Cc1ccc2ccccc2n1 ZINC000100939261 358429803 /nfs/dbraw/zinc/42/98/03/358429803.db2.gz VYPSGJLPFMREIZ-UHFFFAOYSA-N 0 0 232.080 2.939 10 30 BFEERN COc1ccc(Br)cc1/C(C)=N/O ZINC000306157738 358949814 /nfs/dbraw/zinc/94/98/14/358949814.db2.gz OEAWHSHRHIMWHA-IZZDOVSWSA-N 0 0 244.088 2.656 10 30 BFEERN C#CC[C@@H](C)Nc1cncc(Br)c1 ZINC000231145632 358995757 /nfs/dbraw/zinc/99/57/57/358995757.db2.gz HSIFREJGBVLHNM-MRVPVSSYSA-N 0 0 239.116 2.668 10 30 BFEERN CCc1nc(C)c(CN[C@H]2CCCC[C@@H]2C#N)o1 ZINC000385550176 359288501 /nfs/dbraw/zinc/28/85/01/359288501.db2.gz WVVOXJNYKHHROJ-NEPJUHHUSA-N 0 0 247.342 2.717 10 30 BFEERN Cc1ccsc1[C@@H]1CCC[C@@H](C=O)O1 ZINC000306201079 359290260 /nfs/dbraw/zinc/29/02/60/359290260.db2.gz KHRYHYVRRFBLMV-UWVGGRQHSA-N 0 0 210.298 2.866 10 30 BFEERN C=C(CC)CNc1nc(F)c(F)cc1F ZINC000306215637 359322679 /nfs/dbraw/zinc/32/26/79/359322679.db2.gz OWUAEZAHNCAUQR-UHFFFAOYSA-N 0 0 216.206 2.877 10 30 BFEERN CC(C)SCc1ncc(C#N)c(Cl)n1 ZINC000306224894 359349880 /nfs/dbraw/zinc/34/98/80/359349880.db2.gz FKHHBKHOVSCHII-UHFFFAOYSA-N 0 0 227.720 2.643 10 30 BFEERN O=CC=C([O-])c1c(F)cccc1Cl ZINC000306240097 359410226 /nfs/dbraw/zinc/41/02/26/359410226.db2.gz HEVIXJTXGNXBRD-SNAWJCMRSA-N 0 0 200.596 2.734 10 30 BFEERN CCc1cnc(NCC(C)(C)C#N)s1 ZINC000306240671 359418558 /nfs/dbraw/zinc/41/85/58/359418558.db2.gz QWGRHNCZJFMECT-UHFFFAOYSA-N 0 0 209.318 2.667 10 30 BFEERN C#CC[C@H](O)c1c(C)cccc1Br ZINC000306257054 359473051 /nfs/dbraw/zinc/47/30/51/359473051.db2.gz YOGNICLOLNUCOL-JTQLQIEISA-N 0 0 239.112 2.814 10 30 BFEERN N#Cc1cnc([C@@H]2CCCS2)nc1Cl ZINC000306263335 359488197 /nfs/dbraw/zinc/48/81/97/359488197.db2.gz YOMIRATZOWQFSA-ZETCQYMHSA-N 0 0 225.704 2.570 10 30 BFEERN C[C@H](N[C@@H]1CCCC[C@H]1C#N)c1ccncc1 ZINC000160985438 359633522 /nfs/dbraw/zinc/63/35/22/359633522.db2.gz FENADJPWGVQYPX-FPMFFAJLSA-N 0 0 229.327 2.815 10 30 BFEERN C=CC(=O)c1cc(F)c(F)cc1Cl ZINC000231292025 359704051 /nfs/dbraw/zinc/70/40/51/359704051.db2.gz CXMLHWNMEMAAAW-UHFFFAOYSA-N 0 0 202.587 2.987 10 30 BFEERN N#CCOc1c(F)cc(F)cc1Br ZINC000161012694 359733566 /nfs/dbraw/zinc/73/35/66/359733566.db2.gz GVJQIKQJYLCMDE-UHFFFAOYSA-N 0 0 248.026 2.630 10 30 BFEERN C=CC(=O)c1c(Cl)ccc(F)c1F ZINC000306394077 359760601 /nfs/dbraw/zinc/76/06/01/359760601.db2.gz FVJWJMLKSOKUDS-UHFFFAOYSA-N 0 0 202.587 2.987 10 30 BFEERN C=CCNc1nc2c(s1)CSCC2 ZINC000306398968 359766219 /nfs/dbraw/zinc/76/62/19/359766219.db2.gz LNEZPLFNKBHZDS-UHFFFAOYSA-N 0 0 212.343 2.530 10 30 BFEERN CC#CCC[C@@H](O)c1ccnc(Cl)c1 ZINC000161029448 359808259 /nfs/dbraw/zinc/80/82/59/359808259.db2.gz NZZCLCTUXKCBPI-SNVBAGLBSA-N 0 0 209.676 2.572 10 30 BFEERN C#C[C@](C)(CC)Oc1nc(Cl)cs1 ZINC000306454511 360041263 /nfs/dbraw/zinc/04/12/63/360041263.db2.gz LQDIQKTXHOEMGN-SECBINFHSA-N 0 0 215.705 2.977 10 30 BFEERN O=CC1(Cc2cncc(F)c2)CCCC1 ZINC000306469372 360086966 /nfs/dbraw/zinc/08/69/66/360086966.db2.gz PMYLPFHHVXTQMX-UHFFFAOYSA-N 0 0 207.248 2.523 10 30 BFEERN C#CC[NH2+][C@@H](c1ccccn1)C1CCCC1 ZINC000091264568 360110351 /nfs/dbraw/zinc/11/03/51/360110351.db2.gz KFCBHPIWVYYXRB-CQSZACIVSA-N 0 0 214.312 2.536 10 30 BFEERN C=C(c1cnc(N)c(C)c1)C(F)(F)F ZINC000306523520 360361067 /nfs/dbraw/zinc/36/10/67/360361067.db2.gz SVPAIJZFIVCUEA-UHFFFAOYSA-N 0 0 202.179 2.548 10 30 BFEERN C[C@@H](O)[C@H](C)SCC#CC(C)(C)C ZINC000300718872 360381021 /nfs/dbraw/zinc/38/10/21/360381021.db2.gz APFCAUGDIJPCRQ-ZJUUUORDSA-N 0 0 200.347 2.538 10 30 BFEERN N#CCc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC000306565589 360445810 /nfs/dbraw/zinc/44/58/10/360445810.db2.gz XXGZTPLLACRBSV-UHFFFAOYSA-N 0 0 231.038 2.968 10 30 BFEERN CC(C)[C@@]1(c2cccs2)CC[C@H](C=O)O1 ZINC000306569578 360448090 /nfs/dbraw/zinc/44/80/90/360448090.db2.gz WYNSVIWGSHMJGF-ZYHUDNBSSA-N 0 0 224.325 2.977 10 30 BFEERN CC[C@@H]1CC[C@@](C#N)(c2nncs2)C1 ZINC000306545187 360414272 /nfs/dbraw/zinc/41/42/72/360414272.db2.gz APDKUZQMJHTQKZ-PSASIEDQSA-N 0 0 207.302 2.510 10 30 BFEERN Cc1cc(-c2ccc(C#N)cc2)c(C=O)[nH]1 ZINC000147701791 360542064 /nfs/dbraw/zinc/54/20/64/360542064.db2.gz DFZGHNLDOAJVIF-UHFFFAOYSA-N 0 0 210.236 2.674 10 30 BFEERN Cc1ccc([C@]2(C)CC(=O)C=CO2)cc1 ZINC000069852344 360723495 /nfs/dbraw/zinc/72/34/95/360723495.db2.gz IAKOEQIKMORNHZ-ZDUSSCGKSA-N 0 0 202.253 2.713 10 30 BFEERN N#CCc1cncc(Cl)c1OC(F)(F)F ZINC000238521351 361139452 /nfs/dbraw/zinc/13/94/52/361139452.db2.gz DLVHPKVGWUQQDC-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN N#CCc1nc(OC(F)(F)F)ccc1Cl ZINC000238534818 361141215 /nfs/dbraw/zinc/14/12/15/361141215.db2.gz HYFPSTIUWGBHEN-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN N#Cc1ccnc(OC(F)(F)F)c1Cl ZINC000238549232 361143049 /nfs/dbraw/zinc/14/30/49/361143049.db2.gz DTQUKOWVICHLHW-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN O=C[C@@H]1CCC[C@H](c2ccc(F)cc2)O1 ZINC000306639268 361591884 /nfs/dbraw/zinc/59/18/84/361591884.db2.gz CNIGVYIMMYQNND-NWDGAFQWSA-N 0 0 208.232 2.635 10 30 BFEERN Cc1ccc([C@@H]2CCC[C@H](C=O)O2)cc1 ZINC000306638916 361587906 /nfs/dbraw/zinc/58/79/06/361587906.db2.gz CEDOIZLBOLGDFM-OLZOCXBDSA-N 0 0 204.269 2.804 10 30 BFEERN CCN(CCC#N)C(=O)c1c[nH]c2ccccc21 ZINC000037842306 169814353 /nfs/dbraw/zinc/81/43/53/169814353.db2.gz WSMHTZJPUYZJHC-UHFFFAOYSA-N 0 0 241.294 2.544 10 30 BFEERN COC(=O)[C@@]1(Cl)OC12CCC(C(C)C)CC2 ZINC000234579543 541311491 /nfs/dbraw/zinc/31/14/91/541311491.db2.gz ZDYSFARGNBQVHA-QEWOUOOISA-N 0 0 246.734 2.710 10 30 BFEERN C[C@@H]1C[C@@H]1NC(=O)Nc1scnc1C1CC1 ZINC000328912026 541328506 /nfs/dbraw/zinc/32/85/06/541328506.db2.gz GXEFJWDNGDJJAF-SVRRBLITSA-N 0 0 237.328 2.755 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ncoc1C1CC1 ZINC000328926320 541328663 /nfs/dbraw/zinc/32/86/63/541328663.db2.gz WJDIWTIUPKFTFZ-VHSXEESVSA-N 0 0 245.282 2.549 10 30 BFEERN N#CC1(c2cc(F)cc(F)c2)CCOCC1 ZINC000038302321 364442330 /nfs/dbraw/zinc/44/23/30/364442330.db2.gz ZJPVGPYUEMYAHG-UHFFFAOYSA-N 0 0 223.222 2.537 10 30 BFEERN CC#C[C@@H](O)c1ccc(Br)cc1 ZINC000038302365 364443226 /nfs/dbraw/zinc/44/32/26/364443226.db2.gz ASGMXNFQNOZHGW-SNVBAGLBSA-N 0 0 225.085 2.506 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)C[C@H]1C=CCCC1 ZINC000332997628 541398824 /nfs/dbraw/zinc/39/88/24/541398824.db2.gz HFPAUKPYFDXSCJ-RWMBFGLXSA-N 0 0 232.327 2.541 10 30 BFEERN Cc1cccc(CN[C@@H]2CCC[C@@H]2C#N)c1F ZINC000335626550 365295717 /nfs/dbraw/zinc/29/57/17/365295717.db2.gz SQFDNDVBMCHESQ-DGCLKSJQSA-N 0 0 232.302 2.916 10 30 BFEERN CC[C@@H]1CCC[C@@]2(CC1)O[C@@]2(Cl)C(=O)OC ZINC000233927736 541510239 /nfs/dbraw/zinc/51/02/39/541510239.db2.gz XMQALVKYWYDAPZ-USWWRNFRSA-N 0 0 246.734 2.854 10 30 BFEERN CCC[C@]1(CC)O[C@]1(C(=O)OC)C(C)C ZINC000233367214 541509111 /nfs/dbraw/zinc/50/91/11/541509111.db2.gz QFPZEUBFWIHIFT-RYUDHWBXSA-N 0 0 214.305 2.533 10 30 BFEERN CC(C)(C)OC(=O)N1CCCC[C@H](C#N)C1 ZINC000215051223 368143281 /nfs/dbraw/zinc/14/32/81/368143281.db2.gz QGYWDIMUFLWANK-SNVBAGLBSA-N 0 0 224.304 2.547 10 30 BFEERN C=C[C@]1(COCc2ccccc2)CC[C@@H](OC)O1 ZINC000225946131 368418209 /nfs/dbraw/zinc/41/82/09/368418209.db2.gz MXBZONPALQWKLH-LSDHHAIUSA-N 0 0 248.322 2.911 10 30 BFEERN COc1cccc(C[C@@H](C#N)c2cccnc2)c1 ZINC000038247212 368408298 /nfs/dbraw/zinc/40/82/98/368408298.db2.gz PNDHJKWGZOONAF-AWEZNQCLSA-N 0 0 238.290 2.940 10 30 BFEERN C#CCNC(=O)/C(C)=C(\C)c1ccc(Cl)cc1 ZINC000002001148 368732494 /nfs/dbraw/zinc/73/24/94/368732494.db2.gz BNDUZVKWQCXJFV-ZHACJKMWSA-N 0 0 247.725 2.883 10 30 BFEERN C=C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000083813482 368822872 /nfs/dbraw/zinc/82/28/72/368822872.db2.gz VFDMYKCCZHMFJX-SECBINFHSA-N 0 0 202.175 2.925 10 30 BFEERN C=C[C@H](O)c1cccc(Br)c1 ZINC000083813476 368823137 /nfs/dbraw/zinc/82/31/37/368823137.db2.gz KYLRFPKXIVNPEE-VIFPVBQESA-N 0 0 213.074 2.669 10 30 BFEERN C=CC(F)(F)c1nc2ccccc2[nH]c1=O ZINC000114596295 368944958 /nfs/dbraw/zinc/94/49/58/368944958.db2.gz BTWDORUWKSZROD-UHFFFAOYSA-N 0 0 222.194 2.613 10 30 BFEERN N#Cc1ccc(Oc2ccc(O)cc2)c(N)c1 ZINC000114637317 368945499 /nfs/dbraw/zinc/94/54/99/368945499.db2.gz KBCIIXKJTBXFQT-UHFFFAOYSA-N 0 0 226.235 2.638 10 30 BFEERN CCCCCCC[C@H](CO)CCCO ZINC000114654218 368947118 /nfs/dbraw/zinc/94/71/18/368947118.db2.gz OLIFWZDWJUIAHI-LBPRGKRZSA-N 0 0 202.338 2.728 10 30 BFEERN C(#Cc1ccnc2[nH]ccc21)c1ccccc1 ZINC000114718214 368949480 /nfs/dbraw/zinc/94/94/80/368949480.db2.gz KIPRTDXJDDRTAF-UHFFFAOYSA-N 0 0 218.259 2.963 10 30 BFEERN C=CCC1(CC=C)C(=O)CC(C)CC1=O ZINC000115268487 368986111 /nfs/dbraw/zinc/98/61/11/368986111.db2.gz JWESFHFUMQTJKU-UHFFFAOYSA-N 0 0 206.285 2.693 10 30 BFEERN CCc1ccc(C#CC[C@H](O)C(F)(F)F)cc1 ZINC000616581098 369096650 /nfs/dbraw/zinc/09/66/50/369096650.db2.gz DUYSBAQSROVIFG-LBPRGKRZSA-N 0 0 242.240 2.914 10 30 BFEERN COc1ccc2ccccc2c1[C@@H]1CO1 ZINC000055026981 369121729 /nfs/dbraw/zinc/12/17/29/369121729.db2.gz RTKPSSFVMXFMFE-LBPRGKRZSA-N 0 0 200.237 2.920 10 30 BFEERN N#Cc1cccc(NC(=S)c2ccccn2)c1 ZINC000000011409 369349545 /nfs/dbraw/zinc/34/95/45/369349545.db2.gz JGGJCHBCBIVPKN-UHFFFAOYSA-N 0 0 239.303 2.741 10 30 BFEERN N#Cc1cc(F)cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000601711068 369667927 /nfs/dbraw/zinc/66/79/27/369667927.db2.gz CZBNNAXYLIONLP-JGPRNRPPSA-N 0 0 244.269 2.682 10 30 BFEERN C=C(Cl)CSc1nc(C)cc(C)n1 ZINC000306677341 369962652 /nfs/dbraw/zinc/96/26/52/369962652.db2.gz YOUUNVVFGCQPHI-UHFFFAOYSA-N 0 0 214.721 2.938 10 30 BFEERN [O-]/[N+](=C\c1ccc(F)cc1)c1ccccc1 ZINC000225399658 370526975 /nfs/dbraw/zinc/52/69/75/370526975.db2.gz BXLRZNILYMPUCB-GDNBJRDFSA-N 0 0 216.235 2.978 10 30 BFEERN N#CCc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000313450303 370586590 /nfs/dbraw/zinc/58/65/90/370586590.db2.gz AOCSQVBXKMFOAT-CLLJXQQHSA-N 0 0 240.306 2.737 10 30 BFEERN Cc1cc(N2CCC[C@H](C)C2)c(C#N)c(C)n1 ZINC000156535604 371442318 /nfs/dbraw/zinc/44/23/18/371442318.db2.gz NSTMKXKKHIPZAX-JTQLQIEISA-N 0 0 229.327 2.806 10 30 BFEERN C=C(C)C(=O)O[C@H]1C[C@H]2C[C@@H]1[C@H]1CC=C[C@@H]21 ZINC000002555620 371581248 /nfs/dbraw/zinc/58/12/48/371581248.db2.gz PXPQLEHKQLUZLY-SJHCENCUSA-N 0 0 218.296 2.706 10 30 BFEERN CC[C@@H](C#N)C(=O)c1cc(C)cc(F)c1 ZINC000131864878 371700368 /nfs/dbraw/zinc/70/03/68/371700368.db2.gz BSROZPDPULKUEU-VIFPVBQESA-N 0 0 205.232 2.867 10 30 BFEERN N#Cc1cc(F)cc(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000602725933 371834875 /nfs/dbraw/zinc/83/48/75/371834875.db2.gz RPETZCIVUWDFKZ-KBPBESRZSA-N 0 0 246.285 2.677 10 30 BFEERN O=C1C=C(Cc2ccccn2)CCCC1 ZINC000230164951 371864085 /nfs/dbraw/zinc/86/40/85/371864085.db2.gz GNQSXTYLEOSDAA-UHFFFAOYSA-N 0 0 201.269 2.694 10 30 BFEERN C[C@H](C=O)Cc1cccc(Br)c1F ZINC000230278539 371882349 /nfs/dbraw/zinc/88/23/49/371882349.db2.gz AGCVKWAKKMHLHJ-ZETCQYMHSA-N 0 0 245.091 2.966 10 30 BFEERN CC(C)=CC(=O)[C@H]1SCCS[C@@H]1C ZINC000228075825 371986174 /nfs/dbraw/zinc/98/61/74/371986174.db2.gz AGAVQAWZAOJSAC-SCZZXKLOSA-N 0 0 216.371 2.759 10 30 BFEERN C[C@@H]1C[C@@](C#N)(NCc2ccccc2)[C@H]1C ZINC000306458117 372022428 /nfs/dbraw/zinc/02/24/28/372022428.db2.gz XSQUPIGOLXWERK-DYEKYZERSA-N 0 0 214.312 2.714 10 30 BFEERN C[C@H]1CC[C@](C=O)(Cc2cncs2)C1 ZINC000306720749 372060478 /nfs/dbraw/zinc/06/04/78/372060478.db2.gz CZQSAKJDDGKDOU-GXSJLCMTSA-N 0 0 209.314 2.691 10 30 BFEERN Fc1ccc(C[C@@H]2CO2)cc1C(F)(F)F ZINC000228477270 372032756 /nfs/dbraw/zinc/03/27/56/372032756.db2.gz WPBCSHOEXNGANB-SSDOTTSWSA-N 0 0 220.165 2.786 10 30 BFEERN N#Cc1c(F)ccc(F)c1C(F)(F)F ZINC000306604540 372045045 /nfs/dbraw/zinc/04/50/45/372045045.db2.gz ZEDTVPMHGQUTRT-UHFFFAOYSA-N 0 0 207.101 2.855 10 30 BFEERN CC[C@H](C)Sc1cc(C#N)nc(C)n1 ZINC000306679132 372054642 /nfs/dbraw/zinc/05/46/42/372054642.db2.gz BYSFKIALLUJYET-ZETCQYMHSA-N 0 0 207.302 2.547 10 30 BFEERN OCCCC#Cc1cscc1Br ZINC000163524285 372008027 /nfs/dbraw/zinc/00/80/27/372008027.db2.gz JXKVSDXCBZNJDA-UHFFFAOYSA-N 0 0 245.141 2.635 10 30 BFEERN O=C(C1=CCC[C@@H]1O)c1ccc(Cl)cc1 ZINC000021995652 181857305 /nfs/dbraw/zinc/85/73/05/181857305.db2.gz BQUHHDLLKDFQIS-NSHDSACASA-N 0 0 222.671 2.604 10 30 BFEERN C#CC[C@@H](C)Nc1nc(Cl)cs1 ZINC000228988276 372100809 /nfs/dbraw/zinc/10/08/09/372100809.db2.gz RMYNMDMSLKUJIL-ZCFIWIBFSA-N 0 0 200.694 2.620 10 30 BFEERN CC#CCCNc1cc(Cl)nc(CC)n1 ZINC000229331783 372144226 /nfs/dbraw/zinc/14/42/26/372144226.db2.gz PMEYPVCZENULEF-UHFFFAOYSA-N 0 0 223.707 2.518 10 30 BFEERN CC(=O)/C(C)=C/c1ccc([N+](=O)[O-])s1 ZINC000232576637 372146652 /nfs/dbraw/zinc/14/66/52/372146652.db2.gz AIFYQFHNMANSSE-AATRIKPKSA-N 0 0 211.242 2.649 10 30 BFEERN CC1(C)CC(=O)C=C(CBr)C1 ZINC000004205227 372169886 /nfs/dbraw/zinc/16/98/86/372169886.db2.gz SAOYVSOEGJEDDE-UHFFFAOYSA-N 0 0 217.106 2.697 10 30 BFEERN C/C(=N\OC(=O)NCc1ccccc1)C1CC1 ZINC000040166273 373114792 /nfs/dbraw/zinc/11/47/92/373114792.db2.gz XVHDLPVYHKZICN-XNTDXEJSSA-N 0 0 232.283 2.699 10 30 BFEERN CCc1ccccc1[C@H]1CC(=O)C=CO1 ZINC000069850345 373876370 /nfs/dbraw/zinc/87/63/70/373876370.db2.gz MTRRZXNKVRIOCL-CYBMUJFWSA-N 0 0 202.253 2.793 10 30 BFEERN Nc1ccc(C(=O)C2=CCCC2)c(F)c1 ZINC000070671452 374171207 /nfs/dbraw/zinc/17/12/07/374171207.db2.gz JUUYFZRQICUSBD-UHFFFAOYSA-N 0 0 205.232 2.701 10 30 BFEERN N#C[C@H]1CCO[C@@H]1c1cccc(Cl)c1 ZINC000070672132 374175706 /nfs/dbraw/zinc/17/57/06/374175706.db2.gz ZUHKMKNPGYZXHQ-MWLCHTKSSA-N 0 0 207.660 2.941 10 30 BFEERN Cc1nn([C@H]2CCC[C@H]2C#N)cc1Cl ZINC000070689300 374177068 /nfs/dbraw/zinc/17/70/68/374177068.db2.gz RECUMVPXGUAQGV-WPRPVWTQSA-N 0 0 209.680 2.710 10 30 BFEERN Cc1nn([C@@H]2CCC[C@H]2C#N)cc1Cl ZINC000070689297 374177345 /nfs/dbraw/zinc/17/73/45/374177345.db2.gz RECUMVPXGUAQGV-WCBMZHEXSA-N 0 0 209.680 2.710 10 30 BFEERN O=C(NO)c1ccc2c(c1)-c1ccccc1CC2 ZINC000028105734 182280772 /nfs/dbraw/zinc/28/07/72/182280772.db2.gz XJJMCGOCVNTURO-UHFFFAOYSA-N 0 0 239.274 2.571 10 30 BFEERN CCCCN[C@H](C#N)c1ccccc1OC ZINC000019989660 168874870 /nfs/dbraw/zinc/87/48/70/168874870.db2.gz MVQYADKQABQBBD-GFCCVEGCSA-N 0 0 218.300 2.650 10 30 BFEERN O=C[C@H]1C[C@H]1c1ccc(F)c(Br)c1 ZINC000075422308 182857827 /nfs/dbraw/zinc/85/78/27/182857827.db2.gz XXVDQGMQTDBTIK-SFYZADRCSA-N 0 0 243.075 2.891 10 30 BFEERN O=[N+]([O-])c1ccccc1N=NC1C[C@@H]2CC=C[C@H]12 ZINC000013136595 182951539 /nfs/dbraw/zinc/95/15/39/182951539.db2.gz MQGJLLGDRSSQQU-BFQJWLLSSA-N 0 0 243.266 2.959 10 30 BFEERN OCCC#Cc1ccccc1COC1CCCC1 ZINC000049619842 183041923 /nfs/dbraw/zinc/04/19/23/183041923.db2.gz BZGQXIGVKHFXJG-UHFFFAOYSA-N 0 0 244.334 2.880 10 30 BFEERN OCC#Cc1cccc(Oc2ccc(F)cc2)c1 ZINC000095931392 183033801 /nfs/dbraw/zinc/03/38/01/183033801.db2.gz FUNAEKNNYILHTB-UHFFFAOYSA-N 0 0 242.249 2.962 10 30 BFEERN Oc1ccc(/C=N/c2ccc(F)cc2)cc1O ZINC000059513906 183266920 /nfs/dbraw/zinc/26/69/20/183266920.db2.gz JKTVOJGYSZNFQK-OVCLIPMQSA-N 0 0 231.226 2.988 10 30 BFEERN SCc1ccc2[nH]c(C3CC3)nc2c1 ZINC000077298136 183315924 /nfs/dbraw/zinc/31/59/24/183315924.db2.gz LPVRGOMQDMXNGW-UHFFFAOYSA-N 0 0 204.298 2.870 10 30 BFEERN SCc1csc(-c2ccncc2)n1 ZINC000031890214 183315974 /nfs/dbraw/zinc/31/59/74/183315974.db2.gz GOXUFIABRMNPPD-UHFFFAOYSA-N 0 0 208.311 2.635 10 30 BFEERN CCCN[C@H](C#N)c1cc(C)sc1C ZINC000049687503 169284025 /nfs/dbraw/zinc/28/40/25/169284025.db2.gz IABAWXBCEWCGRG-LLVKDONJSA-N 0 0 208.330 2.929 10 30 BFEERN CCCN[C@H](C#N)c1ccc(OCC)cc1 ZINC000020175068 169284030 /nfs/dbraw/zinc/28/40/30/169284030.db2.gz GMDAIFSFSGFWJD-CYBMUJFWSA-N 0 0 218.300 2.650 10 30 BFEERN CCCN[C@H](C#N)c1ccc(C)cc1C ZINC000026517063 169284143 /nfs/dbraw/zinc/28/41/43/169284143.db2.gz ZIASGDHXKDXTMX-CYBMUJFWSA-N 0 0 202.301 2.868 10 30 BFEERN CCCN[C@H](C#N)c1ccc(F)cc1F ZINC000020380163 169284399 /nfs/dbraw/zinc/28/43/99/169284399.db2.gz YRTRXUCLOWQOKM-LLVKDONJSA-N 0 0 210.227 2.529 10 30 BFEERN CCCN[C@@H](C#N)CCN(C)c1ccc(C)cc1 ZINC000062438513 169273120 /nfs/dbraw/zinc/27/31/20/169273120.db2.gz WKAIQMWZYYPBJO-CQSZACIVSA-N 0 0 245.370 2.713 10 30 BFEERN CCCN[C@H](C#N)c1cc(F)ccc1F ZINC000037233659 169283574 /nfs/dbraw/zinc/28/35/74/169283574.db2.gz PPKYFQHOFPYJKZ-LLVKDONJSA-N 0 0 210.227 2.529 10 30 BFEERN CCCN[C@@](C)(C#N)c1ccc(F)cc1 ZINC000040177207 169283648 /nfs/dbraw/zinc/28/36/48/169283648.db2.gz JCZKMOTXRKTAEL-LBPRGKRZSA-N 0 0 206.264 2.564 10 30 BFEERN CCCOc1cc(F)ccc1/C(C)=N/O ZINC000062748610 169315715 /nfs/dbraw/zinc/31/57/15/169315715.db2.gz CNNJTBRUMAKOJY-MDWZMJQESA-N 0 0 211.236 2.813 10 30 BFEERN CCCN[C@](C)(C#N)c1ccc(C)cc1 ZINC000026517059 169292431 /nfs/dbraw/zinc/29/24/31/169292431.db2.gz LJZBCEHCVNVHGE-CYBMUJFWSA-N 0 0 202.301 2.733 10 30 BFEERN CCC[C@@H](C#N)C(=O)Nc1ccc(Cl)cn1 ZINC000044813898 169343261 /nfs/dbraw/zinc/34/32/61/169343261.db2.gz VPCHFPFHTCOMBD-QMMMGPOBSA-N 0 0 237.690 2.613 10 30 BFEERN CCC[C@@H](C)N(C)c1cc(C)ccc1/C(N)=N/O ZINC000051578975 169366640 /nfs/dbraw/zinc/36/66/40/169366640.db2.gz YGEPBGUGQIBIQH-LLVKDONJSA-N 0 0 249.358 2.714 10 30 BFEERN CCC[C@H](C#N)C(=O)N[C@H](CC)CCC ZINC000050405566 169376912 /nfs/dbraw/zinc/37/69/12/169376912.db2.gz VUQUGNQKKFZLNJ-GHMZBOCLSA-N 0 0 210.321 2.621 10 30 BFEERN CCN(C(=O)[C@@H](C#N)C(C)C)C1CCCC1 ZINC000044822989 169646885 /nfs/dbraw/zinc/64/68/85/169646885.db2.gz NNDFMMPDUZIATQ-LBPRGKRZSA-N 0 0 222.332 2.573 10 30 BFEERN N#CCc1cc(C#N)cc(F)c1OC(F)(F)F ZINC000575649041 383945154 /nfs/dbraw/zinc/94/51/54/383945154.db2.gz SQVPGKYVMPFJOR-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN C#C[C@@H](NC)c1cc(Cl)sc1Cl ZINC000234448635 384176052 /nfs/dbraw/zinc/17/60/52/384176052.db2.gz BMWMXIFQLSKDOL-ZCFIWIBFSA-N 0 0 220.124 2.949 10 30 BFEERN Cc1ccc2c(c1)C=C[C@](Cl)(C=O)N2 ZINC000095931703 384410458 /nfs/dbraw/zinc/41/04/58/384410458.db2.gz FFNNSJUDVLLFFZ-LLVKDONJSA-N 0 0 207.660 2.568 10 30 BFEERN Cc1cc(C#N)c(F)c(OC(F)F)c1 ZINC000575661942 384418861 /nfs/dbraw/zinc/41/88/61/384418861.db2.gz WOAVBZRZUXSPAU-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN CCOc1ccc(CC#N)c(OC(F)F)c1F ZINC000575657277 384386289 /nfs/dbraw/zinc/38/62/89/384386289.db2.gz RSKZJTKMVMGJIW-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCc1cc(C(F)(F)F)c(O)cc1C#N ZINC000575672641 384466994 /nfs/dbraw/zinc/46/69/94/384466994.db2.gz DIEKLQSIBJURTA-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN C[C@@H]1CCC[C@]1(O)c1ccc(C#N)cc1 ZINC000521400979 384628858 /nfs/dbraw/zinc/62/88/58/384628858.db2.gz DMOXVPIQRVEDJF-ZWNOBZJWSA-N 0 0 201.269 2.566 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1snc(C)c1C#N ZINC000300366217 384629401 /nfs/dbraw/zinc/62/94/01/384629401.db2.gz WDMMQGZEHKCLFU-SCZZXKLOSA-N 0 0 221.329 2.924 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC(CC#N)CC1 ZINC000335141482 384640703 /nfs/dbraw/zinc/64/07/03/384640703.db2.gz GKJSODJVPZHNAC-YPMHNXCESA-N 0 0 234.343 2.575 10 30 BFEERN FC(F)(F)c1ccccc1C[C@@H]1CO1 ZINC000082164463 384652144 /nfs/dbraw/zinc/65/21/44/384652144.db2.gz MMFCMICIKUOWGM-MRVPVSSYSA-N 0 0 202.175 2.647 10 30 BFEERN COc1cc(CC#N)cc(OC(F)(F)F)c1F ZINC000575708527 384813218 /nfs/dbraw/zinc/81/32/18/384813218.db2.gz RJBLRIJCEJWLEL-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN CCc1ccc(C(F)(F)F)c(CC#N)c1N ZINC000575718956 384888391 /nfs/dbraw/zinc/88/83/91/384888391.db2.gz RVNXIPDNNROQAX-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN N#Cc1cccc(-n2cnc3ccccc32)c1 ZINC000013782606 384849368 /nfs/dbraw/zinc/84/93/68/384849368.db2.gz ATUPUCFKLIDOKP-UHFFFAOYSA-N 0 0 219.247 2.897 10 30 BFEERN Cc1cc(N)c(CC#N)c(C(F)(F)F)c1 ZINC000575719889 384894077 /nfs/dbraw/zinc/89/40/77/384894077.db2.gz OAURMVKEJJXUFS-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN N#CCNc1ncc(C(F)(F)F)cc1Cl ZINC000302307439 384980575 /nfs/dbraw/zinc/98/05/75/384980575.db2.gz OIVJCRNENZXHCY-UHFFFAOYSA-N 0 0 235.596 2.689 10 30 BFEERN C=CCCCCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302754820 385015665 /nfs/dbraw/zinc/01/56/65/385015665.db2.gz WHDDFKMDCNZFIB-UHFFFAOYSA-N 0 0 246.270 2.630 10 30 BFEERN C=CC[C@@H](COCc1ccccc1)CC(=O)OC ZINC000207674592 385115702 /nfs/dbraw/zinc/11/57/02/385115702.db2.gz ZDWAAULWIVBETH-CQSZACIVSA-N 0 0 248.322 2.959 10 30 BFEERN C[C@H](CNc1cnc(C#N)cn1)c1ccsc1 ZINC000126082432 385167773 /nfs/dbraw/zinc/16/77/73/385167773.db2.gz IILLVXWTCLMVMJ-SECBINFHSA-N 0 0 244.323 2.625 10 30 BFEERN COC(=O)c1ccc(-c2ccc(/C=N/O)o2)cc1 ZINC000020154454 385323810 /nfs/dbraw/zinc/32/38/10/385323810.db2.gz ABZLYYUUCHUIRT-RIYZIHGNSA-N 0 0 245.234 2.541 10 30 BFEERN Cc1sccc1CN[C@@H]1CCC[C@H]1C#N ZINC000309091500 385414241 /nfs/dbraw/zinc/41/42/41/385414241.db2.gz DRTMGAOHCUZWNZ-CMPLNLGQSA-N 0 0 220.341 2.838 10 30 BFEERN N#CCN[C@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000309519945 385657117 /nfs/dbraw/zinc/65/71/17/385657117.db2.gz BCUMVZVYKDRFFX-OLZOCXBDSA-N 0 0 218.275 2.575 10 30 BFEERN CCc1ccc(CNc2cnc(C#N)cn2)cc1 ZINC000228845399 385846692 /nfs/dbraw/zinc/84/66/92/385846692.db2.gz RDMBOMXOTVZYPU-UHFFFAOYSA-N 0 0 238.294 2.523 10 30 BFEERN C=CCCOCCNC(=O)OCc1ccccc1 ZINC000307317974 385850175 /nfs/dbraw/zinc/85/01/75/385850175.db2.gz PSACWDAJACDTBR-UHFFFAOYSA-N 0 0 249.310 2.506 10 30 BFEERN CC[C@@H](C)c1noc(-c2ccnc(C#N)c2)n1 ZINC000233876859 386008378 /nfs/dbraw/zinc/00/83/78/386008378.db2.gz IRPKKVRLACHFBA-MRVPVSSYSA-N 0 0 228.255 2.517 10 30 BFEERN N#C[C@@]1(c2ccc(F)cc2)CCCC(=O)C1 ZINC000261508593 386029024 /nfs/dbraw/zinc/02/90/24/386029024.db2.gz VACJKAKEMZPUPM-CYBMUJFWSA-N 0 0 217.243 2.730 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)NC1(C#N)CCCCC1 ZINC000230054283 134479846 /nfs/dbraw/zinc/47/98/46/134479846.db2.gz DKBNQKXNOMJGFX-VXGBXAGGSA-N 0 0 234.343 2.765 10 30 BFEERN C=CCNc1ccc(N)cc1Br ZINC000052923619 386369689 /nfs/dbraw/zinc/36/96/89/386369689.db2.gz XIAWGWKJDXNPGG-UHFFFAOYSA-N 0 0 227.105 2.629 10 30 BFEERN C=CCN(C)c1nc(Br)cs1 ZINC000575596466 386375173 /nfs/dbraw/zinc/37/51/73/386375173.db2.gz MVYJDTDWNXQWOG-UHFFFAOYSA-N 0 0 233.134 2.528 10 30 BFEERN C[C@H](CC#N)NC(=O)c1cccn1C1CCCC1 ZINC000181157698 386332919 /nfs/dbraw/zinc/33/29/19/386332919.db2.gz DLYZURNQPJLLJS-LLVKDONJSA-N 0 0 245.326 2.635 10 30 BFEERN CCOc1cc(CC#N)cc(C#N)c1CC ZINC000575643142 386580425 /nfs/dbraw/zinc/58/04/25/386580425.db2.gz NJYJVFXLBBWGQR-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN CC(C)CC(C)(C)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000408421207 386565804 /nfs/dbraw/zinc/56/58/04/386565804.db2.gz GWABQYDUYHUZJI-RYUDHWBXSA-N 0 0 236.359 2.867 10 30 BFEERN COC(=O)Cc1cc(C(F)F)cc(C#N)c1C ZINC000575344207 386690565 /nfs/dbraw/zinc/69/05/65/386690565.db2.gz VFQQNXGCDNRVCO-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN CCOC(=O)c1cc(C)c(C(F)F)c(C#N)c1 ZINC000575343581 386690609 /nfs/dbraw/zinc/69/06/09/386690609.db2.gz LHXICUJOTVIHSY-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)Cc1cc(C)c(C#N)cc1C(F)F ZINC000575343724 386691221 /nfs/dbraw/zinc/69/12/21/386691221.db2.gz DOPXUAOVVPQNKK-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN CC(C)(CO)S[C@@H]1CCCC[C@H]1C#N ZINC000307570674 386732249 /nfs/dbraw/zinc/73/22/49/386732249.db2.gz DPRNAIYOXNZQCP-VHSXEESVSA-N 0 0 213.346 2.573 10 30 BFEERN CCCCCCCCS(=O)(=O)OF ZINC000100098829 386737103 /nfs/dbraw/zinc/73/71/03/386737103.db2.gz HMNRWZUZCSOXOB-UHFFFAOYSA-N 0 0 212.286 2.578 10 30 BFEERN O=[N+]([O-])c1cccc(/C=[N+](/[O-])c2ccccc2)c1 ZINC000575346622 386715812 /nfs/dbraw/zinc/71/58/12/386715812.db2.gz ZFDZJGCYVBNYHO-GXDHUFHOSA-N 0 0 243.242 2.747 10 30 BFEERN N#CC1(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)CCC1 ZINC000334788242 386851240 /nfs/dbraw/zinc/85/12/40/386851240.db2.gz SPGSAXINCYGGPB-BETUJISGSA-N 0 0 218.344 2.802 10 30 BFEERN Cc1cc(-c2ccccc2)nc2c(C#N)cnn21 ZINC000211797252 386895045 /nfs/dbraw/zinc/89/50/45/386895045.db2.gz BDJAEXRSPHZTEP-UHFFFAOYSA-N 0 0 234.262 2.576 10 30 BFEERN CCOC(=O)c1cc(C#N)c(CC)cc1CC ZINC000575385609 386944803 /nfs/dbraw/zinc/94/48/03/386944803.db2.gz RNPCYHZBSABHFF-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN COC(=O)c1c(C#N)ccc(C(F)(F)F)c1F ZINC000575390426 386953186 /nfs/dbraw/zinc/95/31/86/386953186.db2.gz LBLSSCIWAXNWKS-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN CCOC(=O)Cc1ccc(C)c(CC)c1C#N ZINC000575389127 386953460 /nfs/dbraw/zinc/95/34/60/386953460.db2.gz ZRAHNLGELHWZGF-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1c(C#N)c(C(=O)OC)ccc1C(F)F ZINC000575389689 386954633 /nfs/dbraw/zinc/95/46/33/386954633.db2.gz JJZVMNBCSSSFJK-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCc1cc(C#N)c(C(=O)OC)cc1C(F)F ZINC000575389983 386954962 /nfs/dbraw/zinc/95/49/62/386954962.db2.gz YJHUZNMSVHXBNL-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)c1cc(F)c(C(F)F)c(C#N)c1 ZINC000575389726 386955175 /nfs/dbraw/zinc/95/51/75/386955175.db2.gz MPGDMBLSXRKURB-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCc1ccc(C(F)F)c(C#N)c1C(=O)OC ZINC000575389700 386955240 /nfs/dbraw/zinc/95/52/40/386955240.db2.gz KLWZQOZDEYWDOJ-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCc1cc(C(F)F)cc(C#N)c1C(=O)OC ZINC000575390013 386955328 /nfs/dbraw/zinc/95/53/28/386955328.db2.gz ZXYKLGQOHWZIOO-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)Cc1c([S-])cc(C#N)cc1CC ZINC000575387965 386958471 /nfs/dbraw/zinc/95/84/71/386958471.db2.gz BPVJTHPCPNCUBH-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN CCOC(=O)Cc1cc(C#N)cc([S-])c1CC ZINC000575387963 386958676 /nfs/dbraw/zinc/95/86/76/386958676.db2.gz BBGNDPOIGWFICT-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN CCOC(=O)Cc1cc([S-])c(C#N)cc1CC ZINC000575387973 386958865 /nfs/dbraw/zinc/95/88/65/386958865.db2.gz DLFOUJMXJLCVLD-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN COC(=O)c1c(C)ccc(C#N)c1C(F)(F)F ZINC000575394270 386992978 /nfs/dbraw/zinc/99/29/78/386992978.db2.gz AJBMZXSSKLYKCN-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN CCc1ccc(OC)c(CC#N)c1OC(F)F ZINC000575655979 387037867 /nfs/dbraw/zinc/03/78/67/387037867.db2.gz CIZSOKKGHIEGAE-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN Cc1cc(C)c(OC(F)F)cc1CC#N ZINC000575654729 387037932 /nfs/dbraw/zinc/03/79/32/387037932.db2.gz QPDOINROGOXQSW-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN CCc1cc(OC(F)F)cc(OC)c1CC#N ZINC000575655865 387038256 /nfs/dbraw/zinc/03/82/56/387038256.db2.gz BSBQOZVGRZIAHV-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1cc(C#N)cc(F)c1OC(F)F ZINC000575655551 387039978 /nfs/dbraw/zinc/03/99/78/387039978.db2.gz KRSQVTNLDYYHEV-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1cc(OC(F)F)cc(C#N)c1F ZINC000575656426 387042624 /nfs/dbraw/zinc/04/26/24/387042624.db2.gz PPUXYAVKEAZKQE-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCc1cc(O)cc(OC(F)F)c1CC#N ZINC000575657048 387043690 /nfs/dbraw/zinc/04/36/90/387043690.db2.gz ZNEGJXBGSFIOHW-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCOc1ccc(OC(F)F)c(C#N)c1F ZINC000575657608 387045545 /nfs/dbraw/zinc/04/55/45/387045545.db2.gz XZNQCEDZYZORAW-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCc1cc(CC#N)c(OC(F)F)cc1OC ZINC000575659145 387048974 /nfs/dbraw/zinc/04/89/74/387048974.db2.gz WBAMVOCALBJHIZ-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCc1c(C#N)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575657991 387050875 /nfs/dbraw/zinc/05/08/75/387050875.db2.gz DFWVDRSNUREOBN-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN COc1cc(F)c(CC#N)c(OC(F)F)c1 ZINC000575659926 387052051 /nfs/dbraw/zinc/05/20/51/387052051.db2.gz LNTVJAULFIKAGW-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN CCc1cc([N+](=O)[O-])cc(C#N)c1OC(F)F ZINC000575660102 387052512 /nfs/dbraw/zinc/05/25/12/387052512.db2.gz SECRAVVDDOWVPA-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN CCc1cc(C#N)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575660062 387053205 /nfs/dbraw/zinc/05/32/05/387053205.db2.gz RZTRIBHVVMGSOC-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN C#Cc1sc2nc(C(C)C)ccc2c1N ZINC000575434110 387058576 /nfs/dbraw/zinc/05/85/76/387058576.db2.gz GBDQDCUBGCXURQ-UHFFFAOYSA-N 0 0 216.309 2.983 10 30 BFEERN N#CCC(=O)c1ccsc1Br ZINC000575464833 387059395 /nfs/dbraw/zinc/05/93/95/387059395.db2.gz UKGFAJYUDWYWGM-UHFFFAOYSA-N 0 0 230.086 2.607 10 30 BFEERN C/C=C/C(=O)c1ccc(Br)cc1N ZINC000575470609 387101981 /nfs/dbraw/zinc/10/19/81/387101981.db2.gz MEQGWMVAPJTDNR-NSCUHMNNSA-N 0 0 240.100 2.790 10 30 BFEERN N#C[C@@]1(c2cccc(Cl)c2)CCOC1 ZINC000238549206 387156108 /nfs/dbraw/zinc/15/61/08/387156108.db2.gz VVWWSGYRRIJOKS-NSHDSACASA-N 0 0 207.660 2.522 10 30 BFEERN N#Cc1cc(NC2CC2)ccc1Br ZINC000575478191 387159844 /nfs/dbraw/zinc/15/98/44/387159844.db2.gz BZIAQGJJJUXYID-UHFFFAOYSA-N 0 0 237.100 2.895 10 30 BFEERN Cc1cc(F)cc(OC(F)F)c1CC#N ZINC000575662010 387164106 /nfs/dbraw/zinc/16/41/06/387164106.db2.gz ZHDFHMSKAWKUEK-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN Cc1cc(CC#N)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575665232 387313801 /nfs/dbraw/zinc/31/38/01/387313801.db2.gz CDALYCFHKCMZAV-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN N#CCc1c(Br)ccc(O)c1Cl ZINC000575675542 387356540 /nfs/dbraw/zinc/35/65/40/387356540.db2.gz MUNLUVWGPVLADI-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN N#Cc1cc(O)cc(Br)c1Cl ZINC000575675340 387358647 /nfs/dbraw/zinc/35/86/47/387358647.db2.gz IFNDLCARMPEUJT-UHFFFAOYSA-N 0 0 232.464 2.680 10 30 BFEERN C=C(C)[C@H](O)c1ccc(N)c(Br)c1 ZINC000575504470 387359829 /nfs/dbraw/zinc/35/98/29/387359829.db2.gz JIMGOMXKMNOPQH-JTQLQIEISA-N 0 0 242.116 2.641 10 30 BFEERN C=C(C)[C@@H](O)c1ccc(N)c(Br)c1 ZINC000575504471 387360480 /nfs/dbraw/zinc/36/04/80/387360480.db2.gz JIMGOMXKMNOPQH-SNVBAGLBSA-N 0 0 242.116 2.641 10 30 BFEERN COc1cc(F)cc(Br)c1CC#N ZINC000575689108 387377818 /nfs/dbraw/zinc/37/78/18/387377818.db2.gz NPIBBNDZMRORRG-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN Cc1c(O)cc(Br)cc1CC#N ZINC000575691108 387380930 /nfs/dbraw/zinc/38/09/30/387380930.db2.gz HJXPRELWOMPFCC-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN N#CCc1cc(C(F)F)c(O)cc1F ZINC000575667123 387319764 /nfs/dbraw/zinc/31/97/64/387319764.db2.gz HLLWUDXZLFVLBY-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN Cc1c(OC(F)F)ccc(CC#N)c1[N+](=O)[O-] ZINC000575668983 387325543 /nfs/dbraw/zinc/32/55/43/387325543.db2.gz WKYQVBPSSNGBFX-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN N#Cc1cc([N+](=O)[O-])c(F)cc1C(F)F ZINC000575669564 387328696 /nfs/dbraw/zinc/32/86/96/387328696.db2.gz CIRSAJKQWJPYLC-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN N#Cc1cc(F)cc(C(F)F)c1[N+](=O)[O-] ZINC000575669972 387332910 /nfs/dbraw/zinc/33/29/10/387332910.db2.gz ULMFSDUPSMCLQZ-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN Cc1cc(C#N)c([N+](=O)[O-])c(C(F)F)c1 ZINC000575671242 387333222 /nfs/dbraw/zinc/33/32/22/387333222.db2.gz GQKOJTYFUGJMRF-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN CCOc1cc(F)c(OC(F)(F)F)c(C#N)c1 ZINC000575671396 387333882 /nfs/dbraw/zinc/33/38/82/387333882.db2.gz XHMNRHTWYAJRNL-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN CCOc1c(C#N)cc(F)cc1OC(F)(F)F ZINC000575670546 387334069 /nfs/dbraw/zinc/33/40/69/387334069.db2.gz LFIDNRMQFIYURU-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN Cc1cc(C#N)c(C(F)F)c([N+](=O)[O-])c1 ZINC000575671383 387334113 /nfs/dbraw/zinc/33/41/13/387334113.db2.gz JYTNXLHDSHYTKZ-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN CCOc1cc(OC(F)(F)F)cc(C#N)c1F ZINC000575670954 387336958 /nfs/dbraw/zinc/33/69/58/387336958.db2.gz QEEPDCSIJWRYLE-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN COc1cc(C#N)c(C(F)(F)F)c(OC)c1 ZINC000575671768 387337693 /nfs/dbraw/zinc/33/76/93/387337693.db2.gz OAUSUEVYOBOWPO-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN CCOc1cc(O)c(C#N)cc1C(F)(F)F ZINC000575671344 387338113 /nfs/dbraw/zinc/33/81/13/387338113.db2.gz WSYDXYYMKYZCMV-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN Cc1cc(C(F)F)c(C#N)c([N+](=O)[O-])c1 ZINC000575672327 387338516 /nfs/dbraw/zinc/33/85/16/387338516.db2.gz YTFWRBIQYFKBGK-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN CCc1c(C#N)cc(O)cc1C(F)(F)F ZINC000575672897 387340157 /nfs/dbraw/zinc/34/01/57/387340157.db2.gz SSQLTRGDWCWOIG-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN O=C(/C=C/Cl)c1cc(F)cc(F)c1 ZINC000575501545 387345644 /nfs/dbraw/zinc/34/56/44/387345644.db2.gz NFMVEJSTNLHJSY-OWOJBTEDSA-N 0 0 202.587 2.900 10 30 BFEERN O=C(/C=C/Cl)c1ccc(F)cc1F ZINC000575500908 387347263 /nfs/dbraw/zinc/34/72/63/387347263.db2.gz HXOOEFIGZMRAJI-ONEGZZNKSA-N 0 0 202.587 2.900 10 30 BFEERN CCc1cc(C(F)(F)F)cc(N)c1CC#N ZINC000575718757 387428387 /nfs/dbraw/zinc/42/83/87/387428387.db2.gz OVLVAIQUKUEYPH-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN CCOc1cc(N)c(C(F)(F)F)c(CC#N)c1 ZINC000575717309 387435284 /nfs/dbraw/zinc/43/52/84/387435284.db2.gz FQROFQOALGYEFO-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN CCOc1cc(CC#N)c(N)cc1C(F)(F)F ZINC000575717113 387435372 /nfs/dbraw/zinc/43/53/72/387435372.db2.gz BSPCRTVNNJPUAY-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN CCOc1cc(N)cc(CC#N)c1C(F)(F)F ZINC000575717712 387436323 /nfs/dbraw/zinc/43/63/23/387436323.db2.gz KVVSWNKLVHVZTM-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN Cc1ccc(N)c(CC#N)c1C(F)(F)F ZINC000575719750 387440457 /nfs/dbraw/zinc/44/04/57/387440457.db2.gz IKSMPLNPOFKDOY-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN C=CCNc1c(N)ccc(F)c1Br ZINC000575510345 387393469 /nfs/dbraw/zinc/39/34/69/387393469.db2.gz AOFWRPYOWCEXFC-UHFFFAOYSA-N 0 0 245.095 2.768 10 30 BFEERN CCOc1cc([N+](=O)[O-])cc(CC)c1CC#N ZINC000575697148 387398715 /nfs/dbraw/zinc/39/87/15/387398715.db2.gz VHTLIDVVWYBXOH-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN COc1ccc(OC(F)(F)F)c(CC#N)c1F ZINC000575708323 387411866 /nfs/dbraw/zinc/41/18/66/387411866.db2.gz MWPJZKOVUZVVIP-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN COc1cc(F)c(C(F)(F)F)cc1CC#N ZINC000575708199 387412796 /nfs/dbraw/zinc/41/27/96/387412796.db2.gz LZXWSWKROLUMQJ-UHFFFAOYSA-N 0 0 233.164 2.919 10 30 BFEERN COC(=O)c1cc(C#N)c(C(F)F)cc1Cl ZINC000575712106 387414790 /nfs/dbraw/zinc/41/47/90/387414790.db2.gz FTDZNAZXBVEJEW-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN N#CCc1cc([N+](=O)[O-])c(F)c(C(F)(F)F)c1 ZINC000575711046 387415491 /nfs/dbraw/zinc/41/54/91/387415491.db2.gz OAGAGUSVBKBAOO-UHFFFAOYSA-N 0 0 248.135 2.819 10 30 BFEERN COC(=O)c1cc(C#N)c(Cl)cc1C(F)F ZINC000575713008 387417159 /nfs/dbraw/zinc/41/71/59/387417159.db2.gz QEECOVHHEOPCGC-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN COC(=O)c1cc(Cl)c(C#N)cc1C(F)F ZINC000575713003 387417320 /nfs/dbraw/zinc/41/73/20/387417320.db2.gz PYILEQKJSMLKNJ-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN CCOc1cc(CC#N)c(C(F)(F)F)cc1N ZINC000575718101 387422827 /nfs/dbraw/zinc/42/28/27/387422827.db2.gz PKOPYHQJSAWSHV-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN O=CC[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1cccnc1 ZINC000584599587 387501307 /nfs/dbraw/zinc/50/13/07/387501307.db2.gz DCDRIZJJQSOHSU-XWUBHJNHSA-N 0 0 215.296 2.800 10 30 BFEERN Cc1c(F)c(C#N)cc(F)c1Br ZINC000584599538 387501479 /nfs/dbraw/zinc/50/14/79/387501479.db2.gz HDYFFZHPVCLGRO-UHFFFAOYSA-N 0 0 232.027 2.907 10 30 BFEERN C=C(C)[C@@H](C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584623761 387502753 /nfs/dbraw/zinc/50/27/53/387502753.db2.gz GWZFEOKMZREUCG-SECBINFHSA-N 0 0 219.240 2.990 10 30 BFEERN C[C@@H]1C[C@@H]1Nc1nc2c(cc1C#N)CCCC2 ZINC000052290822 387469968 /nfs/dbraw/zinc/46/99/68/387469968.db2.gz APXVPGWSHWEXOI-RNCFNFMXSA-N 0 0 227.311 2.652 10 30 BFEERN Cc1coc2c1C[C@@H]1O[C@]1(C)CC[C@@H]1O[C@@]1(C)C2 ZINC000100780877 387472884 /nfs/dbraw/zinc/47/28/84/387472884.db2.gz FNQFNSGVMLMZNV-XQLPTFJDSA-N 0 0 248.322 2.782 10 30 endogenous,in-man BFEERN CCc1cc(CC#N)c(C#N)c(OC(F)F)c1 ZINC000575638670 387832713 /nfs/dbraw/zinc/83/27/13/387832713.db2.gz ABLYVPAPYAWZPU-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN Cc1c(C#N)cc(CC#N)cc1OC(F)F ZINC000575641736 387842564 /nfs/dbraw/zinc/84/25/64/387842564.db2.gz UARVAVGXAYYLQT-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CCOc1c(CC#N)cc(C#N)cc1C(F)F ZINC000575642242 387846287 /nfs/dbraw/zinc/84/62/87/387846287.db2.gz WEFHCGJWYROZOZ-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN Cc1ccc(F)c(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000061888489 387847867 /nfs/dbraw/zinc/84/78/67/387847867.db2.gz IDOCVODTXSTYSR-GXFFZTMASA-N 0 0 246.285 2.556 10 30 BFEERN COc1c(C#N)cc(CC#N)cc1C(F)F ZINC000575644126 387870742 /nfs/dbraw/zinc/87/07/42/387870742.db2.gz XELMTUJHWKLDIG-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN Cc1cc(C)c([C@@H](C)NCCC#N)c(C)n1 ZINC000037240329 177870869 /nfs/dbraw/zinc/87/08/69/177870869.db2.gz XSGUNXQQZZFPKO-LLVKDONJSA-N 0 0 217.316 2.571 10 30 BFEERN COc1cc(C(F)(F)F)c(C#N)cc1CC#N ZINC000575650583 387889782 /nfs/dbraw/zinc/88/97/82/387889782.db2.gz YCBWRZFKCOUBIB-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN Cc1cc(C#N)c(CC#N)cc1C(F)(F)F ZINC000575645159 387878983 /nfs/dbraw/zinc/87/89/83/387878983.db2.gz DFXFQZHKCAALHD-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN N#CCc1c(F)ccc(C(F)(F)F)c1C#N ZINC000575647959 387880481 /nfs/dbraw/zinc/88/04/81/387880481.db2.gz NFHVWAMLJBRITI-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN Cc1cc(C(F)(F)F)c(CC#N)cc1C#N ZINC000575646907 387884409 /nfs/dbraw/zinc/88/44/09/387884409.db2.gz LIHWYVAQKZBWQX-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN N#CCc1cc(F)c(C#N)cc1OC(F)(F)F ZINC000575649033 387886878 /nfs/dbraw/zinc/88/68/78/387886878.db2.gz SPGOCZINSOELNS-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN N#CCCC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195348372 387918699 /nfs/dbraw/zinc/91/86/99/387918699.db2.gz GYILRUZXWFWLLZ-LLVKDONJSA-N 0 0 235.356 2.626 10 30 BFEERN N#CCCCN1CCCC[C@@H]1c1nccs1 ZINC000195364140 387911322 /nfs/dbraw/zinc/91/13/22/387911322.db2.gz PDTHTSFSKPUHRD-LLVKDONJSA-N 0 0 235.356 2.974 10 30 BFEERN C[C@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000249133066 388020727 /nfs/dbraw/zinc/02/07/27/388020727.db2.gz MMVZKUQWJMZVSM-JHJVBQTASA-N 0 0 244.338 2.728 10 30 BFEERN C=C(C)CN(C)C(=O)[C@@H](C)c1ccc(OC)cc1 ZINC000180462658 256520630 /nfs/dbraw/zinc/52/06/30/256520630.db2.gz JFJCCYJVIGKILF-LBPRGKRZSA-N 0 0 247.338 2.833 10 30 BFEERN C[C@H]1CCC[C@H]1C(=O)NC1(C#N)CCCCC1 ZINC000230054288 388349800 /nfs/dbraw/zinc/34/98/00/388349800.db2.gz DKBNQKXNOMJGFX-NWDGAFQWSA-N 0 0 234.343 2.765 10 30 BFEERN CC(CC(C)C)=NN1C(=O)c2ccccc2C1=O ZINC000254806536 388368172 /nfs/dbraw/zinc/36/81/72/388368172.db2.gz YXBUDGVKJACRMK-UHFFFAOYSA-N 0 0 244.294 2.705 10 30 BFEERN CC#CCC(=O)[C@H]1SCCS[C@@H]1CC ZINC000228083509 388378135 /nfs/dbraw/zinc/37/81/35/388378135.db2.gz OZGBJZMUYPXDEA-GHMZBOCLSA-N 0 0 228.382 2.596 10 30 BFEERN CC1CCC(C[NH2+]CC(C)(C)C#N)CC1 ZINC000164695021 388397293 /nfs/dbraw/zinc/39/72/93/388397293.db2.gz MDZLFZMIJDVOSP-UHFFFAOYSA-N 0 0 208.349 2.952 10 30 BFEERN CC(C)[C@@H](C)CC(=O)NC1(C#N)CCCC1 ZINC000069382467 388415634 /nfs/dbraw/zinc/41/56/34/388415634.db2.gz FHUKNRJUXAHZCE-NSHDSACASA-N 0 0 222.332 2.621 10 30 BFEERN CC[C@H](CC(C)C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000308086735 388431909 /nfs/dbraw/zinc/43/19/09/388431909.db2.gz JHRKLLSIMQUWAL-FRRDWIJNSA-N 0 0 236.359 2.867 10 30 BFEERN Cc1c(Cl)cnc(N[C@H]2C[C@H]2C)c1C#N ZINC000273294013 388594699 /nfs/dbraw/zinc/59/46/99/388594699.db2.gz GAEIRFLFJDXXPO-LDWIPMOCSA-N 0 0 221.691 2.735 10 30 BFEERN CC[C@H]1C[C@@H]1Nc1snc(Cl)c1C#N ZINC000301287496 388610976 /nfs/dbraw/zinc/61/09/76/388610976.db2.gz MGSPEHFZGGYOQZ-FSPLSTOPSA-N 0 0 227.720 2.879 10 30 BFEERN Cc1cc(Br)ccc1OCC#N ZINC000011834455 177723783 /nfs/dbraw/zinc/72/37/83/177723783.db2.gz OJFBPBPGVWDPDN-UHFFFAOYSA-N 0 0 226.073 2.660 10 30 BFEERN NC(=O)c1cccc(N=Cc2ccccc2)c1 ZINC000254417486 388747884 /nfs/dbraw/zinc/74/78/84/388747884.db2.gz TXXNQTOHSAIHGO-UHFFFAOYSA-N 0 0 224.263 2.536 10 30 BFEERN C[C@@H](S)c1ccc(Br)cn1 ZINC000575449842 388732132 /nfs/dbraw/zinc/73/21/32/388732132.db2.gz RFTBJDBNNZYRTK-RXMQYKEDSA-N 0 0 218.119 2.835 10 30 BFEERN C=CC(=O)c1ccsc1Br ZINC000575459194 388803960 /nfs/dbraw/zinc/80/39/60/388803960.db2.gz BXPLSUVQKJNGJT-UHFFFAOYSA-N 0 0 217.087 2.879 10 30 BFEERN CCOC(=O)c1cc(C#N)c(C)cc1C(F)F ZINC000575343579 388811502 /nfs/dbraw/zinc/81/15/02/388811502.db2.gz LFABXZFFCMCUSL-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN C/C=C/C(=O)c1ncsc1Br ZINC000575456702 388787914 /nfs/dbraw/zinc/78/79/14/388787914.db2.gz GXRSWONTVDCWPY-NSCUHMNNSA-N 0 0 232.102 2.664 10 30 BFEERN COC(=O)c1c(F)cc(C(F)(F)F)cc1C#N ZINC000575345044 388844029 /nfs/dbraw/zinc/84/40/29/388844029.db2.gz RGJXYDARWHZYQQ-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN C[C@H]1CC[C@@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496103 388967094 /nfs/dbraw/zinc/96/70/94/388967094.db2.gz IVPBBHACHIMUJM-JOYOIKCWSA-N 0 0 224.304 2.593 10 30 BFEERN Cc1cc(N2CCCC3(CC3)C2)c(C#N)c(C)n1 ZINC000302232614 132262298 /nfs/dbraw/zinc/26/22/98/132262298.db2.gz CSFYCSSYLJSQCK-UHFFFAOYSA-N 0 0 241.338 2.951 10 30 BFEERN C[C@H]1CCc2ccccc2N1CCC#N ZINC000019802787 132327305 /nfs/dbraw/zinc/32/73/05/132327305.db2.gz HOKAMJXPHMQNHX-NSHDSACASA-N 0 0 200.285 2.741 10 30 BFEERN C[C@H]1CCCCN1c1ccccc1C#N ZINC000020075956 132329708 /nfs/dbraw/zinc/32/97/08/132329708.db2.gz AYSKQVDTHUPIJQ-NSHDSACASA-N 0 0 200.285 2.937 10 30 BFEERN C[C@@H](CC#N)N1CCCc2ccccc21 ZINC000048208876 132355357 /nfs/dbraw/zinc/35/53/57/132355357.db2.gz IVUFCNMPFPPQHA-NSHDSACASA-N 0 0 200.285 2.741 10 30 BFEERN O=C[C@H]1CCCCN1c1ccnc2ccccc21 ZINC000054268067 132363772 /nfs/dbraw/zinc/36/37/72/132363772.db2.gz DXCDIECNBIMGHA-GFCCVEGCSA-N 0 0 240.306 2.793 10 30 BFEERN CC1(C)CCN(c2ccc(N)cc2C#N)CC1 ZINC000061819222 132387201 /nfs/dbraw/zinc/38/72/01/132387201.db2.gz IHQJIUZFTIWWSK-UHFFFAOYSA-N 0 0 229.327 2.767 10 30 BFEERN C[C@@H]1C[C@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000069052393 133531339 /nfs/dbraw/zinc/53/13/39/133531339.db2.gz ZWBNSVMLPDITBH-NOZJJQNGSA-N 0 0 223.279 2.927 10 30 BFEERN C=C1CCN(C(=O)[C@@H]2CCC[C@H]2C)CC1 ZINC000335994144 134041342 /nfs/dbraw/zinc/04/13/42/134041342.db2.gz TUDDCMQLZLTDBF-VXGBXAGGSA-N 0 0 207.317 2.601 10 30 BFEERN N#Cc1cnc(N2C[C@@H]3CCC[C@H]32)c(Cl)c1 ZINC000336000078 134046641 /nfs/dbraw/zinc/04/66/41/134046641.db2.gz RRRLVZWOWTZDIR-GXSJLCMTSA-N 0 0 233.702 2.595 10 30 BFEERN CC1(C)CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000336033054 134058781 /nfs/dbraw/zinc/05/87/81/134058781.db2.gz KMOMXALZQKMSJC-NEPJUHHUSA-N 0 0 249.358 2.510 10 30 BFEERN COc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)cc1C#N ZINC000336113891 134087805 /nfs/dbraw/zinc/08/78/05/134087805.db2.gz DZAGJRANMMPRMX-TZMCWYRMSA-N 0 0 242.322 2.551 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)NC1CCCCCC1 ZINC000336620912 134151927 /nfs/dbraw/zinc/15/19/27/134151927.db2.gz UKVUITTWOHKVSM-WCQYABFASA-N 0 0 249.358 2.701 10 30 BFEERN C[C@@H](Nc1ccc(C#N)nc1)c1cccc(O)c1 ZINC000176904422 134294691 /nfs/dbraw/zinc/29/46/91/134294691.db2.gz UKHJHWBTXVQTRR-SNVBAGLBSA-N 0 0 239.278 2.832 10 30 BFEERN Cc1cnc([C@H](C)NCc2cccc(C#N)c2)o1 ZINC000220906835 134315226 /nfs/dbraw/zinc/31/52/26/134315226.db2.gz YMAALSQYTVQQAH-NSHDSACASA-N 0 0 241.294 2.706 10 30 BFEERN C[C@H](C#N)N1CCC(OCC2CCCC2)CC1 ZINC000181977962 134341097 /nfs/dbraw/zinc/34/10/97/134341097.db2.gz QDCAPTKJMNUZFQ-GFCCVEGCSA-N 0 0 236.359 2.570 10 30 BFEERN C[C@H](C#N)N1CCSC2(CCCCC2)C1 ZINC000181973875 134341154 /nfs/dbraw/zinc/34/11/54/134341154.db2.gz JDOUXTKAAGTGQU-LLVKDONJSA-N 0 0 224.373 2.650 10 30 BFEERN C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000230055061 134479963 /nfs/dbraw/zinc/47/99/63/134479963.db2.gz BPCJZVGMHOQBMC-FZMZJTMJSA-N 0 0 242.322 2.611 10 30 BFEERN C[C@H]1CCC[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000230176691 134487152 /nfs/dbraw/zinc/48/71/52/134487152.db2.gz POTBDSMIWQLRAI-NWDGAFQWSA-N 0 0 234.343 2.575 10 30 BFEERN C=CCC1(C(=O)N[C@@H](C)C(C)C)CCC1 ZINC000191668108 134574494 /nfs/dbraw/zinc/57/44/94/134574494.db2.gz DUKOFQAVQMBFQF-NSHDSACASA-N 0 0 209.333 2.894 10 30 BFEERN CC(C)(C)C(C)(C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000335617592 134878329 /nfs/dbraw/zinc/87/83/29/134878329.db2.gz RYKXWYMMXSMFPZ-WDEREUQCSA-N 0 0 236.359 2.867 10 30 BFEERN COc1ccc([C@@H]2C[C@@H](C)N([C@H](C)C#N)C2)cc1 ZINC000248455197 135012401 /nfs/dbraw/zinc/01/24/01/135012401.db2.gz KUKXCWNZTDEJIK-YRGRVCCFSA-N 0 0 244.338 2.785 10 30 BFEERN Cc1nc(Cl)c(C#N)c(C(F)(F)F)c1N ZINC000001690942 135389725 /nfs/dbraw/zinc/38/97/25/135389725.db2.gz FTPYCKVEHUBYBV-UHFFFAOYSA-N 0 0 235.596 2.516 10 30 BFEERN Cc1c(F)cccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000335053508 135407534 /nfs/dbraw/zinc/40/75/34/135407534.db2.gz XYVAKLFNAORQRB-MFKMUULPSA-N 0 0 246.285 2.556 10 30 BFEERN C[C@@H]1C[C@@H]1CNC(=O)C[C@@H]1CCCCC(=O)N1 ZINC000328632086 135463183 /nfs/dbraw/zinc/46/31/83/135463183.db2.gz AELWGFIUPWJORK-MXWKQRLJSA-N 0 0 238.331 2.888 10 30 BFEERN C[C@@H](CC#N)NC(=O)c1cccn1C1CCCC1 ZINC000181157677 135491440 /nfs/dbraw/zinc/49/14/40/135491440.db2.gz DLYZURNQPJLLJS-NSHDSACASA-N 0 0 245.326 2.635 10 30 BFEERN Cc1cc(F)ccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000135351081 135569628 /nfs/dbraw/zinc/56/96/28/135569628.db2.gz NHAZSOISJFGHSB-MFKMUULPSA-N 0 0 246.285 2.556 10 30 BFEERN Cc1ccn([C@H]2CCC(C)(C)C2)c(=O)c1C#N ZINC000335301156 136020132 /nfs/dbraw/zinc/02/01/32/136020132.db2.gz YAFGHUCQXWNPOM-NSHDSACASA-N 0 0 230.311 2.780 10 30 BFEERN N#CC1(CN2CCC(c3nccs3)CC2)CC1 ZINC000335355305 136070954 /nfs/dbraw/zinc/07/09/54/136070954.db2.gz JBKFTTDVGWKHHO-UHFFFAOYSA-N 0 0 247.367 2.626 10 30 BFEERN Cc1cc(C#N)cc(N[C@@H](C)C(C)C)n1 ZINC000157566478 397936827 /nfs/dbraw/zinc/93/68/27/397936827.db2.gz FKDJEWOSWDAGPE-JTQLQIEISA-N 0 0 203.289 2.718 10 30 BFEERN Cc1cc(C)cc(C#Cc2cncc(C#N)c2)c1 ZINC000116293752 397960505 /nfs/dbraw/zinc/96/05/05/397960505.db2.gz NYZPHZIRXMCQAV-UHFFFAOYSA-N 0 0 232.286 2.970 10 30 BFEERN N#CC1([C@H](O)c2cc(Cl)cs2)CC1 ZINC000307264454 398047940 /nfs/dbraw/zinc/04/79/40/398047940.db2.gz BOFJUWVOUPCDHH-MRVPVSSYSA-N 0 0 213.689 2.739 10 30 BFEERN Cc1cc(C#N)c(CC#N)c(OC(F)F)c1 ZINC000575639945 398038520 /nfs/dbraw/zinc/03/85/20/398038520.db2.gz DHUFVXOJXKLYNT-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN C(=N/N1CC2CCC1CC2)\c1ccccc1 ZINC000584624873 398079582 /nfs/dbraw/zinc/07/95/82/398079582.db2.gz HRKFJKRRBZBHJF-XNTDXEJSSA-N 0 0 214.312 2.895 10 30 BFEERN CC(C)N[C@@H](C#N)c1ccc(F)cc1F ZINC000034973818 167130494 /nfs/dbraw/zinc/13/04/94/167130494.db2.gz NWEGUWNCKWVCTP-NSHDSACASA-N 0 0 210.227 2.527 10 30 BFEERN Brc1cncc(C#CC2CC2)c1 ZINC000091365428 166104458 /nfs/dbraw/zinc/10/44/58/166104458.db2.gz LBXVJEPXUKUVFK-UHFFFAOYSA-N 0 0 222.085 2.606 10 30 BFEERN C#CCN[C@@H](CCCCCCC)C(=O)OCC ZINC000103524026 166191142 /nfs/dbraw/zinc/19/11/42/166191142.db2.gz NCIVKGAFOUFZGF-ZDUSSCGKSA-N 0 0 239.359 2.501 10 30 BFEERN C#CCOc1ccccc1C(F)(F)F ZINC000041639625 166200347 /nfs/dbraw/zinc/20/03/47/166200347.db2.gz IKGNZIALFAQKTH-UHFFFAOYSA-N 0 0 200.159 2.717 10 30 BFEERN C#CC[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000095762397 166205772 /nfs/dbraw/zinc/20/57/72/166205772.db2.gz JZKKJSGTWOUUPY-LLVKDONJSA-N 0 0 223.316 2.799 10 30 BFEERN C#Cc1nc2ccccc2cc1Br ZINC000079065126 166225404 /nfs/dbraw/zinc/22/54/04/166225404.db2.gz LTQSCOVUBXPRCF-UHFFFAOYSA-N 0 0 232.080 2.979 10 30 BFEERN C=CCN(CC=C)c1c(F)cc(CO)cc1F ZINC000062721786 166336604 /nfs/dbraw/zinc/33/66/04/166336604.db2.gz FEQBXMWNEHGFAQ-UHFFFAOYSA-N 0 0 239.265 2.636 10 30 BFEERN C=CCNC(=O)/C=C/c1ccc(OCCC)cc1 ZINC000005708163 166360518 /nfs/dbraw/zinc/36/05/18/166360518.db2.gz KAWQRWJGKSMCRK-JXMROGBWSA-N 0 0 245.322 2.791 10 30 BFEERN C=CCNCC(=O)c1ccc2ccccc2c1 ZINC000041612524 166399744 /nfs/dbraw/zinc/39/97/44/166399744.db2.gz CUPOENNDAKMNNI-UHFFFAOYSA-N 0 0 225.291 2.798 10 30 BFEERN CC(C)(C)C(=O)N[C@H](C#N)C1CCCCC1 ZINC000041043231 166532346 /nfs/dbraw/zinc/53/23/46/166532346.db2.gz JEUSFOBVODLNMJ-LLVKDONJSA-N 0 0 222.332 2.621 10 30 BFEERN CC(C)CCOCc1ccccc1C#CCCO ZINC000049620644 166876815 /nfs/dbraw/zinc/87/68/15/166876815.db2.gz LOGJNVNTUUMWAC-UHFFFAOYSA-N 0 0 246.350 2.983 10 30 BFEERN CC(C)CN[C@](C)(C#N)c1ccc(N(C)C)cc1 ZINC000037939063 167015638 /nfs/dbraw/zinc/01/56/38/167015638.db2.gz RWRJAUPJPYJHOM-OAHLLOKOSA-N 0 0 245.370 2.737 10 30 BFEERN CC(C)O[P@@](C)(=O)OC(C)(C)C#N ZINC000035799638 167284559 /nfs/dbraw/zinc/28/45/59/167284559.db2.gz XUOJDUXXUDKAQZ-CYBMUJFWSA-N 0 0 205.194 2.553 10 30 BFEERN CC(C)Oc1ccc(C(=O)CCC#N)cc1 ZINC000024863520 167290921 /nfs/dbraw/zinc/29/09/21/167290921.db2.gz WPFKBVNHHJAYGF-UHFFFAOYSA-N 0 0 217.268 2.960 10 30 BFEERN CC(C)Oc1ncccc1N[C@H]1CCC[C@@H]1C#N ZINC000054826314 167314412 /nfs/dbraw/zinc/31/44/12/167314412.db2.gz PPBQQUYIAUEMNE-NEPJUHHUSA-N 0 0 245.326 2.973 10 30 BFEERN CC(C)[C@@H](C#N)N(C)Cc1ccccc1 ZINC000071508508 167339986 /nfs/dbraw/zinc/33/99/86/167339986.db2.gz CDLFHUKGLSUHHM-CYBMUJFWSA-N 0 0 202.301 2.667 10 30 BFEERN CC(C)[C@@H](C#N)c1ccc2c(c1)OCO2 ZINC000039350414 167340502 /nfs/dbraw/zinc/34/05/02/167340502.db2.gz QLNSHZSQJWNTRE-SNVBAGLBSA-N 0 0 203.241 2.678 10 30 BFEERN CCN(CC)[C@@H](C#N)c1ccc(F)cc1F ZINC000037355249 169794596 /nfs/dbraw/zinc/79/45/96/169794596.db2.gz KNECWLADWPFGTC-LBPRGKRZSA-N 0 0 224.254 2.871 10 30 BFEERN CCN(CC)[C@H](C#N)c1ccc(OC)c(OC)c1 ZINC000019934647 169799155 /nfs/dbraw/zinc/79/91/55/169799155.db2.gz PVPYGGNZDGXARI-GFCCVEGCSA-N 0 0 248.326 2.610 10 30 BFEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656760555 411345060 /nfs/dbraw/zinc/34/50/60/411345060.db2.gz DIZAAFZLMQHAMX-STQMWFEESA-N 0 0 237.343 2.528 10 30 BFEERN CC1=C2CCCC3(OCCO3)[C@]2(C)CCC1=O ZINC000001730073 168089698 /nfs/dbraw/zinc/08/96/98/168089698.db2.gz HSBDYEUFOITAQQ-CYBMUJFWSA-N 0 0 236.311 2.599 10 30 BFEERN CC1=C/C(=C\c2ccc3c(c2)OCO3)C(=O)S1 ZINC000005171190 168089766 /nfs/dbraw/zinc/08/97/66/168089766.db2.gz ZJCDVVPVKYCBGQ-BJMVGYQFSA-N 0 0 246.287 2.976 10 30 BFEERN CC1CCC(CNc2nccc(C#N)n2)CC1 ZINC000231901354 168156001 /nfs/dbraw/zinc/15/60/01/168156001.db2.gz ZIWPNJWPUBJQKZ-UHFFFAOYSA-N 0 0 230.315 2.586 10 30 BFEERN CCC(C)(C)c1ccc(OCC=O)cc1 ZINC000011584324 168305233 /nfs/dbraw/zinc/30/52/33/168305233.db2.gz VZGMVNNRYNLFLJ-UHFFFAOYSA-N 0 0 206.285 2.952 10 30 BFEERN CCN[C@H](C#N)CCN(CC)c1cccc(F)c1 ZINC000062436243 170156112 /nfs/dbraw/zinc/15/61/12/170156112.db2.gz DDAODVFPOHEFHK-ZDUSSCGKSA-N 0 0 249.333 2.544 10 30 BFEERN CCOC(=O)[C@@H](C#N)c1ccc(C(C)C)cc1 ZINC000002530182 170244373 /nfs/dbraw/zinc/24/43/73/170244373.db2.gz FTCWHVWABLSRCN-ZDUSSCGKSA-N 0 0 231.295 2.980 10 30 BFEERN CCOC(=O)[C@]1(CC)C=CC=C[C@@H]1CC#N ZINC000095931694 170285889 /nfs/dbraw/zinc/28/58/89/170285889.db2.gz WNIZCQRACMWFFH-DGCLKSJQSA-N 0 0 219.284 2.602 10 30 BFEERN CCOC(=O)c1ccc(C#CC(F)(F)F)cc1 ZINC000090470719 170294849 /nfs/dbraw/zinc/29/48/49/170294849.db2.gz CBJSUSSAXSRUCX-UHFFFAOYSA-N 0 0 242.196 2.777 10 30 BFEERN CCOc1ccc2cc(C#CCO)ccc2c1 ZINC000042477771 170570017 /nfs/dbraw/zinc/57/00/17/170570017.db2.gz ZZZMUSMITLKGJH-UHFFFAOYSA-N 0 0 226.275 2.582 10 30 BFEERN CCOc1ccccc1[C@@H](C#N)NCC(C)C ZINC000020174770 170597191 /nfs/dbraw/zinc/59/71/91/170597191.db2.gz OUSJHBVAOOTNSZ-CYBMUJFWSA-N 0 0 232.327 2.896 10 30 BFEERN CCSC[C@H](C)N(C)c1cccc(C#N)n1 ZINC000301744442 170644547 /nfs/dbraw/zinc/64/45/47/170644547.db2.gz NEZDNVPGDYPJJV-JTQLQIEISA-N 0 0 235.356 2.531 10 30 BFEERN CC[C@@H](C)SCc1ccccc1/C(N)=N/O ZINC000019870306 170766947 /nfs/dbraw/zinc/76/69/47/170766947.db2.gz BJDPYLDTPQKDQK-SECBINFHSA-N 0 0 238.356 2.813 10 30 BFEERN CC[C@@H]1O[C@@H]1c1cc2ccccc2c(=O)o1 ZINC000013380357 171153177 /nfs/dbraw/zinc/15/31/77/171153177.db2.gz VNEONZFLGNRQJT-JQWIXIFHSA-N 0 0 216.236 2.643 10 30 BFEERN CC[C@@](C)(CCC(C)C)C(=O)OC[C@@H]1CO1 ZINC000032229265 171163837 /nfs/dbraw/zinc/16/38/37/171163837.db2.gz DHEHEJGXTUCSQF-AAEUAGOBSA-N 0 0 228.332 2.781 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1ccc(OC)cc1OC ZINC000038064639 171347010 /nfs/dbraw/zinc/34/70/10/171347010.db2.gz KNAHDJQXGXJXBX-GXFFZTMASA-N 0 0 248.326 2.657 10 30 BFEERN CC[C@H](C)OC1=C(C)C(=O)[C@H](C)S1 ZINC000039090724 171351461 /nfs/dbraw/zinc/35/14/61/171351461.db2.gz ZVYVWWFUWFWQQV-XPUUQOCRSA-N 0 0 200.303 2.737 10 30 BFEERN CC[C@H](C)[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000234002351 171391158 /nfs/dbraw/zinc/39/11/58/171391158.db2.gz NOOGFWBMSIKYGA-IUCAKERBSA-N 0 0 248.286 2.708 10 30 BFEERN CC[C@H]1CCCC[C@H]1Nc1nccnc1C#N ZINC000054377907 171613107 /nfs/dbraw/zinc/61/31/07/171613107.db2.gz BHJNAUXSYXQUGJ-WDEREUQCSA-N 0 0 230.315 2.729 10 30 BFEERN CC[C@H]1C[C@@H]1Nc1ccc(C#N)cc1F ZINC000227014429 171677186 /nfs/dbraw/zinc/67/71/86/171677186.db2.gz IKMWZFRHWIHDJF-CABZTGNLSA-N 0 0 204.248 2.908 10 30 BFEERN CC[C@](C#N)(C(=O)OC)C1=CCCCCC1 ZINC000038636630 171689484 /nfs/dbraw/zinc/68/94/84/171689484.db2.gz VYFVOYXLQYHQFL-CYBMUJFWSA-N 0 0 221.300 2.970 10 30 BFEERN CCc1ccc(CN=Nc2nc(C)cs2)cc1 ZINC000033377215 171782402 /nfs/dbraw/zinc/78/24/02/171782402.db2.gz DUDQCHDNONJLIO-ZSOIEALJSA-N 0 0 245.351 2.882 10 30 BFEERN CCc1cccc(Nc2ncc(N)cc2C#N)c1 ZINC000037759006 171864886 /nfs/dbraw/zinc/86/48/86/171864886.db2.gz HPBIRAYMGMBADG-UHFFFAOYSA-N 0 0 238.294 2.841 10 30 BFEERN CCc1nnc(N[C@H]2C[C@H]2CC)c(C#N)c1CC ZINC000229726670 172062149 /nfs/dbraw/zinc/06/21/49/172062149.db2.gz TWNOPONJBNCGNB-RNCFNFMXSA-N 0 0 244.342 2.683 10 30 BFEERN CN(C)/C=C/C(=O)c1ccccc1C(F)(F)F ZINC000034742827 172351155 /nfs/dbraw/zinc/35/11/55/172351155.db2.gz RCSHAIWHCDGOQH-BQYQJAHWSA-N 0 0 243.228 2.963 10 30 BFEERN CN(CCC#N)c1ccccc1Br ZINC000049829491 172667034 /nfs/dbraw/zinc/66/70/34/172667034.db2.gz XMJHWMMJKCUHOG-UHFFFAOYSA-N 0 0 239.116 2.799 10 30 BFEERN COCC(=O)[C@@H](C#N)c1cccc2ccccc21 ZINC000072417146 174062161 /nfs/dbraw/zinc/06/21/61/174062161.db2.gz AGLBAEMTRZBVTD-AWEZNQCLSA-N 0 0 239.274 2.662 10 30 BFEERN COCCCN[C@@H](C#N)c1cccc(Cl)c1 ZINC000020173922 174249233 /nfs/dbraw/zinc/24/92/33/174249233.db2.gz IWCLMQMEMYIKSK-LBPRGKRZSA-N 0 0 238.718 2.531 10 30 BFEERN COCCCOc1cc(C)ccc1/C(C)=N/O ZINC000104335318 174256729 /nfs/dbraw/zinc/25/67/29/174256729.db2.gz XCPNGJUVXOOHGI-SDNWHVSQSA-N 0 0 237.299 2.609 10 30 BFEERN COCCNC1(C#N)CCC(C(C)(C)C)CC1 ZINC000053256318 174330162 /nfs/dbraw/zinc/33/01/62/174330162.db2.gz MUIDHGKWZWFVSU-UHFFFAOYSA-N 0 0 238.375 2.721 10 30 BFEERN COc1cc(/C=C/C(C)=O)cc(Cl)c1OC ZINC000058002848 174939765 /nfs/dbraw/zinc/93/97/65/174939765.db2.gz HUPJYVQECGTVCL-SNAWJCMRSA-N 0 0 240.686 2.959 10 30 BFEERN COc1cc(Oc2ccc(C#N)cc2)ccc1N ZINC000104230916 175012820 /nfs/dbraw/zinc/01/28/20/175012820.db2.gz SCGMTZMDTPBFIN-UHFFFAOYSA-N 0 0 240.262 2.941 10 30 BFEERN COc1cc([C@H](C)O)ccc1OCCCCC#N ZINC000049578729 175015884 /nfs/dbraw/zinc/01/58/84/175015884.db2.gz ULCXRWJSADZFGB-NSHDSACASA-N 0 0 249.310 2.821 10 30 BFEERN COc1ccc(C)cc1CN[C@H]1CCC[C@@H]1C#N ZINC000061891915 175076137 /nfs/dbraw/zinc/07/61/37/175076137.db2.gz HDEGVAILYTUFOH-OCCSQVGLSA-N 0 0 244.338 2.786 10 30 BFEERN COc1ccc(C)cc1[C@@H](C)NC[C@H](C)C#N ZINC000048580673 175079497 /nfs/dbraw/zinc/07/94/97/175079497.db2.gz CAUAWMORXZZLHR-VXGBXAGGSA-N 0 0 232.327 2.814 10 30 BFEERN COc1ccc(CC[C@@](C)(C#N)NC2CC2)cc1 ZINC000037846549 175093545 /nfs/dbraw/zinc/09/35/45/175093545.db2.gz RCSVGBGCSVNARC-HNNXBMFYSA-N 0 0 244.338 2.662 10 30 BFEERN COc1ccc(CC[C@](C)(C#N)NC2CC2)cc1 ZINC000037846548 175093929 /nfs/dbraw/zinc/09/39/29/175093929.db2.gz RCSVGBGCSVNARC-OAHLLOKOSA-N 0 0 244.338 2.662 10 30 BFEERN COc1ccc(NC2(C#N)CCCC2)cc1 ZINC000037936527 175149436 /nfs/dbraw/zinc/14/94/36/175149436.db2.gz GSCKEWPGCWXHGY-UHFFFAOYSA-N 0 0 216.284 2.943 10 30 BFEERN COc1ccc(NCc2cccnc2C#N)cc1 ZINC000061657141 175152312 /nfs/dbraw/zinc/15/23/12/175152312.db2.gz JBWRTUBLMXBBPW-UHFFFAOYSA-N 0 0 239.278 2.574 10 30 BFEERN COc1ccc(N[C@@H](C)CC#N)cc1C ZINC000049530123 175153239 /nfs/dbraw/zinc/15/32/39/175153239.db2.gz UVBWNKRVRDUNKV-JTQLQIEISA-N 0 0 204.273 2.718 10 30 BFEERN COc1ccc(N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000054824355 175153734 /nfs/dbraw/zinc/15/37/34/175153734.db2.gz OQCISOBEAHGDNO-GXFFZTMASA-N 0 0 216.284 2.799 10 30 BFEERN COc1ccc(N[C@@]2(C#N)CCSC2)cc1 ZINC000037936469 175154481 /nfs/dbraw/zinc/15/44/81/175154481.db2.gz AYEFRQNODFGLKC-GFCCVEGCSA-N 0 0 234.324 2.506 10 30 BFEERN COc1ccc(N[C@H](C#N)c2cccnc2)cc1 ZINC000037936571 175154676 /nfs/dbraw/zinc/15/46/76/175154676.db2.gz MULVUCCJKXOMDY-CQSZACIVSA-N 0 0 239.278 2.767 10 30 BFEERN COc1ccc(N[C@H]2CCC[C@H]2C#N)cc1 ZINC000054824356 175155733 /nfs/dbraw/zinc/15/57/33/175155733.db2.gz OQCISOBEAHGDNO-GWCFXTLKSA-N 0 0 216.284 2.799 10 30 BFEERN COc1ccc(Oc2ccc(N)cc2C#N)cc1 ZINC000020249574 175173753 /nfs/dbraw/zinc/17/37/53/175173753.db2.gz SYAQLPYAIQSPBB-UHFFFAOYSA-N 0 0 240.262 2.941 10 30 BFEERN COc1ccc2[nH]cc(CC#N)c2c1C ZINC000039090684 175201954 /nfs/dbraw/zinc/20/19/54/175201954.db2.gz CSTVPQSLVPIECP-UHFFFAOYSA-N 0 0 200.241 2.551 10 30 BFEERN COc1ccc2c(C#N)ccc(OC)c2c1 ZINC000075622484 175203581 /nfs/dbraw/zinc/20/35/81/175203581.db2.gz DIYXCSVIPDRBRL-UHFFFAOYSA-N 0 0 213.236 2.729 10 30 BFEERN COc1cccc(-c2ccc(C#N)c(=S)[nH]2)c1 ZINC000033781591 175234394 /nfs/dbraw/zinc/23/43/94/175234394.db2.gz GOJGZMMWWBIMRS-UHFFFAOYSA-N 0 0 242.303 2.918 10 30 BFEERN COc1cccc(C2=CC(=O)CCC2)c1 ZINC000015974660 175249193 /nfs/dbraw/zinc/24/91/93/175249193.db2.gz YFKBYNBNBZFFNY-UHFFFAOYSA-N 0 0 202.253 2.832 10 30 BFEERN COc1cccc(COc2ncccc2C#N)c1 ZINC000019509535 175269586 /nfs/dbraw/zinc/26/95/86/175269586.db2.gz RGJOXVYHIXJAIZ-UHFFFAOYSA-N 0 0 240.262 2.541 10 30 BFEERN COc1cccc(Oc2ccc(C#N)cc2N)c1 ZINC000035674837 175284896 /nfs/dbraw/zinc/28/48/96/175284896.db2.gz SJVYMTYGNAZXBF-UHFFFAOYSA-N 0 0 240.262 2.941 10 30 BFEERN COc1ccccc1N[C@@]1(C#N)CCSC1 ZINC000037938639 175338696 /nfs/dbraw/zinc/33/86/96/175338696.db2.gz COJHNGOUJGITQR-GFCCVEGCSA-N 0 0 234.324 2.506 10 30 BFEERN C[C@@H](CC#N)Nc1ccc(C#N)c(Cl)c1 ZINC000037871377 175639217 /nfs/dbraw/zinc/63/92/17/175639217.db2.gz WFBZIVDMTBUTEA-QMMMGPOBSA-N 0 0 219.675 2.926 10 30 BFEERN C[C@@H]1CC(C)(C)C[C@](C#N)(NC2CC2)C1 ZINC000036924794 176052284 /nfs/dbraw/zinc/05/22/84/176052284.db2.gz NVBKWTQVJXSEJL-ZWNOBZJWSA-N 0 0 206.333 2.847 10 30 BFEERN C[C@@H]1CCCC[C@H]1N(C)c1ncc(N)cc1C#N ZINC000042603331 176086210 /nfs/dbraw/zinc/08/62/10/176086210.db2.gz QVSFBLLKIAOPDH-ZWNOBZJWSA-N 0 0 244.342 2.550 10 30 BFEERN C[C@@H]1CCC[C@@H](Oc2ccc(/C(N)=N/O)cc2)C1 ZINC000020516279 176124984 /nfs/dbraw/zinc/12/49/84/176124984.db2.gz ZHWCGSNRJUIDEC-ZWNOBZJWSA-N 0 0 248.326 2.739 10 30 BFEERN C[C@@H]1CCC[C@@H](Nc2ncc(N)cc2C#N)[C@@H]1C ZINC000037758894 176125346 /nfs/dbraw/zinc/12/53/46/176125346.db2.gz PCTWKYXQJQCXID-GIPNMCIBSA-N 0 0 244.342 2.772 10 30 BFEERN C[C@@H]1CSC(Nc2cccc3ncccc32)=N1 ZINC000035294595 176348943 /nfs/dbraw/zinc/34/89/43/176348943.db2.gz XJHIOQAWDNWFLX-SECBINFHSA-N 0 0 243.335 2.947 10 30 BFEERN C[C@@H]1C[C@@H]1Nc1c(C#N)cnc2ccccc21 ZINC000052291443 176404874 /nfs/dbraw/zinc/40/48/74/176404874.db2.gz PPWHRBRWIOWECE-RNCFNFMXSA-N 0 0 223.279 2.927 10 30 BFEERN C[C@H](C#N)CN(C)c1ccccc1Cl ZINC000049814362 176553182 /nfs/dbraw/zinc/55/31/82/176553182.db2.gz SZALELJYOQDQED-SECBINFHSA-N 0 0 208.692 2.936 10 30 BFEERN C[C@H](C#N)CN[C@@H]1CSCc2ccccc21 ZINC000054181477 176554170 /nfs/dbraw/zinc/55/41/70/176554170.db2.gz OPOBLGMRUSITBQ-ZWNOBZJWSA-N 0 0 232.352 2.724 10 30 BFEERN C[C@H](Nc1cccc(F)c1C#N)[C@@H]1CCCO1 ZINC000112011825 176935725 /nfs/dbraw/zinc/93/57/25/176935725.db2.gz HGNRBAYUXPLLCB-ZANVPECISA-N 0 0 234.274 2.677 10 30 BFEERN C[C@H](O)c1c(F)cccc1N(CCC#N)C1CC1 ZINC000042547525 177015745 /nfs/dbraw/zinc/01/57/45/177015745.db2.gz UQOFFRPPUGMLHR-JTQLQIEISA-N 0 0 248.301 2.761 10 30 BFEERN C[C@H](SCCC#N)C(=O)OCc1ccccc1 ZINC000082693022 177026838 /nfs/dbraw/zinc/02/68/38/177026838.db2.gz FVRPXPLLWLBUGM-NSHDSACASA-N 0 0 249.335 2.765 10 30 BFEERN C[C@H]1CCCC[C@H]1Oc1ccccc1/C(N)=N/O ZINC000020076499 177090558 /nfs/dbraw/zinc/09/05/58/177090558.db2.gz HUQUQUFAGKRIPQ-CMPLNLGQSA-N 0 0 248.326 2.739 10 30 BFEERN C[C@H]1CCCC[C@H]1Oc1cc(C#N)ccn1 ZINC000019804548 177090676 /nfs/dbraw/zinc/09/06/76/177090676.db2.gz SJCAMRHQSJWXGX-CMPLNLGQSA-N 0 0 216.284 2.911 10 30 BFEERN C[C@H]1CCC[C@@](C#N)(NCC(F)(F)F)C1 ZINC000037970912 177127592 /nfs/dbraw/zinc/12/75/92/177127592.db2.gz YXCRAOPCEUVEGU-DTWKUNHWSA-N 0 0 220.238 2.611 10 30 BFEERN C[C@H]1CCC[C@H](Oc2ccc(/C(N)=N/O)cc2)C1 ZINC000020516284 177138420 /nfs/dbraw/zinc/13/84/20/177138420.db2.gz ZHWCGSNRJUIDEC-GWCFXTLKSA-N 0 0 248.326 2.739 10 30 BFEERN C[C@H]1CSC(Nc2cccc3cccnc32)=N1 ZINC000035294429 177302703 /nfs/dbraw/zinc/30/27/03/177302703.db2.gz CVVAWICBWXHGAN-VIFPVBQESA-N 0 0 243.335 2.947 10 30 BFEERN C[C@H]1Sc2ccc(CS)cc2NC1=O ZINC000077338976 177413534 /nfs/dbraw/zinc/41/35/34/177413534.db2.gz GCBLCUMRBROXEQ-ZCFIWIBFSA-N 0 0 225.338 2.549 10 30 BFEERN C[C@]1(O)CC(=O)C=C(c2ccccc2Cl)C1 ZINC000040174888 177471571 /nfs/dbraw/zinc/47/15/71/177471571.db2.gz KGLYZVMETYMBTH-CYBMUJFWSA-N 0 0 236.698 2.837 10 30 BFEERN Cc1c(C#N)ccc(N)c1NC(C)(C)C ZINC000091693035 177557261 /nfs/dbraw/zinc/55/72/61/177557261.db2.gz IKBGPBWYFHBVPV-UHFFFAOYSA-N 0 0 203.289 2.659 10 30 BFEERN Cc1c(F)cc(C#N)cc1N[C@@H]1CCSC1 ZINC000037089151 177605370 /nfs/dbraw/zinc/60/53/70/177605370.db2.gz HIXAAGVFMHXZCC-SNVBAGLBSA-N 0 0 236.315 2.923 10 30 BFEERN C#CC1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000306584499 322947219 /nfs/dbraw/zinc/94/72/19/322947219.db2.gz QCBDGAXQZUXRTG-UHFFFAOYSA-N 0 0 237.343 2.951 10 30 BFEERN N#Cc1ccc(F)c(CN2C[C@@H]3CCC[C@H]32)c1 ZINC000335837395 487837514 /nfs/dbraw/zinc/83/75/14/487837514.db2.gz HFEOXHVUFBDLGX-SMDDNHRTSA-N 0 0 230.286 2.682 10 30 BFEERN CC1(C)C[C@@H](NCCC#N)c2ccccc2O1 ZINC000162990297 324191685 /nfs/dbraw/zinc/19/16/85/324191685.db2.gz AZMAHIYKEHOUQV-GFCCVEGCSA-N 0 0 230.311 2.792 10 30 BFEERN C[C@H](CC#N)NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248621203 325615178 /nfs/dbraw/zinc/61/51/78/325615178.db2.gz YBSSVBPIVINWBG-UTUOFQBUSA-N 0 0 236.359 2.867 10 30 BFEERN O=CCc1c(Cl)ncnc1-c1ccccc1 ZINC000147376776 488012829 /nfs/dbraw/zinc/01/28/29/488012829.db2.gz YFVSCJHOMIUHNR-UHFFFAOYSA-N 0 0 232.670 2.538 10 30 BFEERN Cc1cccc([C@@H](C)[NH2+]CCOCCC#N)c1 ZINC000395503868 487475222 /nfs/dbraw/zinc/47/52/22/487475222.db2.gz MCNVIRYFZKOKNH-CYBMUJFWSA-N 0 0 232.327 2.576 10 30 BFEERN CN(C)/C=N/c1cccc(C(F)(F)F)c1C#N ZINC000584645699 488023000 /nfs/dbraw/zinc/02/30/00/488023000.db2.gz BPXSYOLWWRKRKE-FRKPEAEDSA-N 0 0 241.216 2.798 10 30 BFEERN O=C(Nc1cccc(CS)c1)C(F)(F)F ZINC000757158797 582541454 /nfs/dbraw/zinc/54/14/54/582541454.db2.gz ALRSTLDVCDMVLR-UHFFFAOYSA-N 0 0 235.230 2.617 10 30 BFEERN O=[N+]([O-])c1cc(CS)ccc1Cl ZINC000757159479 582542081 /nfs/dbraw/zinc/54/20/81/582542081.db2.gz CHUAJQFWODYCHW-UHFFFAOYSA-N 0 0 203.650 2.678 10 30 BFEERN C=CCc1cc(O)cc2c1N(C)CCC2 ZINC000075603612 534417994 /nfs/dbraw/zinc/41/79/94/534417994.db2.gz UFDWIRSOBMAKNT-UHFFFAOYSA-N 0 0 203.285 2.503 10 30 BFEERN CC(C)(C)C[C@H]1CCCN1c1nccc(C#N)n1 ZINC000408452310 534653948 /nfs/dbraw/zinc/65/39/48/534653948.db2.gz MHWFZDMQKQKMGK-GFCCVEGCSA-N 0 0 244.342 2.753 10 30 BFEERN C[C@H](C#N)NCc1cccc(C(F)(F)F)c1 ZINC000043514172 525925412 /nfs/dbraw/zinc/92/54/12/525925412.db2.gz CNEJOEUXIVSYFT-MRVPVSSYSA-N 0 0 228.217 2.707 10 30 BFEERN CC1(C)C[C@H]1NC(=O)c1cc(=O)[nH]c(C2CC2)c1 ZINC000329957217 534901287 /nfs/dbraw/zinc/90/12/87/534901287.db2.gz LTAQUEKCWYJXKH-LLVKDONJSA-N 0 0 246.310 2.768 10 30 BFEERN O=C1SC=CC1N=Cc1ccccc1O ZINC000255004150 526382537 /nfs/dbraw/zinc/38/25/37/526382537.db2.gz QELJLBCQZHNFHW-UHFFFAOYSA-N 0 0 219.265 2.910 10 30 BFEERN CC[C@@H](C)[C@@H]1CCCCN1c1nccc(C#N)n1 ZINC000295120066 535701398 /nfs/dbraw/zinc/70/13/98/535701398.db2.gz WQISDYDBIVVDEC-YPMHNXCESA-N 0 0 244.342 2.753 10 30 BFEERN C=C[C@@H](C)N1C(=S)N=NC1C1CCC1 ZINC000757134475 582511431 /nfs/dbraw/zinc/51/14/31/582511431.db2.gz XTAKTWZKCKGHCE-SSDOTTSWSA-N 0 0 209.318 2.581 10 30 BFEERN CC(C)(C)OC(=O)N(CCS)C(C)(C)C ZINC000757163278 582544659 /nfs/dbraw/zinc/54/46/59/582544659.db2.gz NARDHGJPOFILOE-UHFFFAOYSA-N 0 0 233.377 2.952 10 30 BFEERN SCc1csc(Br)c1 ZINC000757163650 582545109 /nfs/dbraw/zinc/54/51/09/582545109.db2.gz RFKAJYCTGKKTIP-UHFFFAOYSA-N 0 0 209.133 2.940 10 30 BFEERN C[C@H]1CC[C@H](S)CN1C(=O)OC(C)(C)C ZINC000757162470 582545539 /nfs/dbraw/zinc/54/55/39/582545539.db2.gz IGFLESYXCOJZPP-IUCAKERBSA-N 0 0 231.361 2.704 10 30 BFEERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@@H]2C#N)CCC1=O ZINC000328978291 582728141 /nfs/dbraw/zinc/72/81/41/582728141.db2.gz XACZUGCSUQHVFX-DDHJBXDOSA-N 0 0 248.326 2.640 10 30 BFEERN CCOC(=O)[C@@H]1O[C@@]12CCCC[C@H]2C(C)C ZINC000250661867 583963738 /nfs/dbraw/zinc/96/37/38/583963738.db2.gz FXJFMDZNTLZAFA-GMXVVIOVSA-N 0 0 226.316 2.533 10 30 BFEERN CCOC(=O)[C@@H]1O[C@]12CCC(C)(C)C[C@@H]2C ZINC000088133584 584907433 /nfs/dbraw/zinc/90/74/33/584907433.db2.gz ZPYGGEZPYUJRKM-KWBADKCTSA-N 0 0 226.316 2.533 10 30 BFEERN CCCC1CCC2(CC1)O[C@@]2(Cl)C(=O)OC ZINC000232902014 585033005 /nfs/dbraw/zinc/03/30/05/585033005.db2.gz VBQBGVYRKMIFHA-NHNAUAITSA-N 0 0 246.734 2.854 10 30 BFEERN CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000103667015 586287910 /nfs/dbraw/zinc/28/79/10/586287910.db2.gz DMUGUHMLMYCLTB-GHMZBOCLSA-N 0 0 247.294 2.667 10 30 BFEERN C=C[C@@H](C)N1C(=S)N=NC1c1cccc(O)c1 ZINC000757128981 586426241 /nfs/dbraw/zinc/42/62/41/586426241.db2.gz HKVAQZHMBCPTJE-MRVPVSSYSA-N 0 0 247.323 2.686 10 30 BFEERN C=C[C@@H](C)N1C(=S)N=NC1[C@@H](C)CC ZINC000757134707 586427010 /nfs/dbraw/zinc/42/70/10/586427010.db2.gz YOFHMFVOCAVUSO-JGVFFNPUSA-N 0 0 211.334 2.827 10 30 BFEERN CCCCc1nc(Cl)c(CS)[nH]1 ZINC000757159020 586430319 /nfs/dbraw/zinc/43/03/19/586430319.db2.gz DUVXOXFVADRZMW-UHFFFAOYSA-N 0 0 204.726 2.836 10 30 BFEERN COc1cccc(CS)c1OC(F)F ZINC000757160663 586431008 /nfs/dbraw/zinc/43/10/08/586431008.db2.gz PRVNNKWWJNLRSY-UHFFFAOYSA-N 0 0 220.240 2.726 10 30 BFEERN C#CC[C@H](OC(=O)C1CCCC1)c1ccccn1 ZINC000105549364 588199654 /nfs/dbraw/zinc/19/96/54/588199654.db2.gz RWVRNLUPHCVTQX-AWEZNQCLSA-N 0 0 243.306 2.879 10 30 BFEERN Cc1cc(CN[C@H]2CCC[C@@H]2C#N)c(C)o1 ZINC000132451493 591710202 /nfs/dbraw/zinc/71/02/02/591710202.db2.gz FOUQPNSOYALNOM-YPMHNXCESA-N 0 0 218.300 2.678 10 30 BFEERN C=C(Cl)COc1cccc([C@H](C)O)c1 ZINC000035627893 633837956 /nfs/dbraw/zinc/83/79/56/633837956.db2.gz FMQHJZFXVSYRLE-VIFPVBQESA-N 0 0 212.676 2.871 10 30 BFEERN CC(C)(CC#N)COC(=O)Cc1cccc(F)c1 ZINC000184788090 634019249 /nfs/dbraw/zinc/01/92/49/634019249.db2.gz APRLBCBNHSQGCK-UHFFFAOYSA-N 0 0 249.285 2.851 10 30 BFEERN C#CCN(C(=O)N[C@H](C)C(C)C)C1CCCC1 ZINC000162389926 634112460 /nfs/dbraw/zinc/11/24/60/634112460.db2.gz TXNAIRIGORELEB-GFCCVEGCSA-N 0 0 236.359 2.618 10 30 BFEERN COc1cccc(-c2cc(CS)no2)c1 ZINC000057951915 640649539 /nfs/dbraw/zinc/64/95/39/640649539.db2.gz HHTIUOXLPJLOHY-UHFFFAOYSA-N 0 0 221.281 2.780 10 30 BFEERN C#C[C@H](C)OC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000174447467 641288237 /nfs/dbraw/zinc/28/82/37/641288237.db2.gz HFHSAUAQRHVDMI-UHTWSYAYSA-N 0 0 220.312 2.768 10 30 BFEERN C=CCC(CC=C)C(=O)O[C@@H](C)[C@@H]1CCOC1 ZINC000151688941 641457402 /nfs/dbraw/zinc/45/74/02/641457402.db2.gz DKWGNKIYOZGBFF-WCQYABFASA-N 0 0 238.327 2.723 10 30 BFEERN C=CCC(CC=C)C(=O)O[C@H](C)[C@@H]1CCOC1 ZINC000151689021 641457630 /nfs/dbraw/zinc/45/76/30/641457630.db2.gz DKWGNKIYOZGBFF-DGCLKSJQSA-N 0 0 238.327 2.723 10 30 BFEERN CC(C)(C=O)c1c(F)cccc1Cl ZINC000041210441 641543636 /nfs/dbraw/zinc/54/36/36/641543636.db2.gz BLOGURWWNJUMPQ-UHFFFAOYSA-N 0 0 200.640 2.956 10 30 BFEERN C#CCCCCNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000159269897 641673724 /nfs/dbraw/zinc/67/37/24/641673724.db2.gz YNJPEABCYBMJIB-GFCCVEGCSA-N 0 0 248.326 2.752 10 30 BFEERN C#CC[C@H](OC(=O)Cc1cccc(F)c1)C1CC1 ZINC000175342692 642676907 /nfs/dbraw/zinc/67/69/07/642676907.db2.gz JGAVPIUIDQDDQG-AWEZNQCLSA-N 0 0 246.281 2.713 10 30 BFEERN C#CC[C@@H](OC(=O)Cc1cccc(F)c1)C1CC1 ZINC000175342708 642677656 /nfs/dbraw/zinc/67/76/56/642677656.db2.gz JGAVPIUIDQDDQG-CQSZACIVSA-N 0 0 246.281 2.713 10 30 BFEERN Oc1cc(Br)ccc1CS ZINC000238727373 642834173 /nfs/dbraw/zinc/83/41/73/642834173.db2.gz WYAWBEDBNMKMOK-UHFFFAOYSA-N 0 0 219.103 2.585 10 30 BFEERN C#CCC[NH2+]Cc1c(F)cccc1Cl ZINC000069767826 642903695 /nfs/dbraw/zinc/90/36/95/642903695.db2.gz CKOYMQPBUFBPRQ-UHFFFAOYSA-N 0 0 211.667 2.592 10 30 BFEERN C/C(=C\C(=O)N[C@H](C)C#N)c1cccc(Cl)c1 ZINC000175875314 643542467 /nfs/dbraw/zinc/54/24/67/643542467.db2.gz SLGFUVLWSDCVJF-OLKPEBQYSA-N 0 0 248.713 2.772 10 30 BFEERN C=CCC1(C(=O)O[C@@H](C)[C@@H]2CCOC2)CCC1 ZINC000192243782 644140250 /nfs/dbraw/zinc/14/02/50/644140250.db2.gz QYEPTXWMWGNBHN-NWDGAFQWSA-N 0 0 238.327 2.701 10 30 BFEERN CC(C)(C)OC(=O)N1CCCC[C@@H]1CS ZINC000084303430 644422977 /nfs/dbraw/zinc/42/29/77/644422977.db2.gz NERJSVIYENUNCT-SECBINFHSA-N 0 0 231.361 2.706 10 30 BFEERN Cc1csc(C(C#N)C(=O)[C@@H]2C[C@H]2C2CC2)n1 ZINC000246151574 644567301 /nfs/dbraw/zinc/56/73/01/644567301.db2.gz PFQPERUKKGMGPR-HBNTYKKESA-N 0 0 246.335 2.674 10 30 BFEERN N#Cc1ccc(Cl)c(N2CCCCC2)n1 ZINC000669383284 711790018 /nfs/dbraw/zinc/79/00/18/711790018.db2.gz RDCMGOJJJGINLJ-UHFFFAOYSA-N 0 0 221.691 2.597 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)/C=C\c1ccccc1 ZINC000700844418 712008607 /nfs/dbraw/zinc/00/86/07/712008607.db2.gz QJHGJMGZZBLTOO-UCFRMXPJSA-N 0 0 240.306 2.508 10 30 BFEERN N#Cc1sc(N2C[C@@H]3CCC[C@H]32)nc1Cl ZINC000706881770 712158384 /nfs/dbraw/zinc/15/83/84/712158384.db2.gz JUUZIROGAVBSAH-NKWVEPMBSA-N 0 0 239.731 2.657 10 30 BFEERN CC(=O)[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000111691113 712688513 /nfs/dbraw/zinc/68/85/13/712688513.db2.gz CJIFKEOGETZTPD-LBPRGKRZSA-N 0 0 246.285 2.503 10 30 BFEERN Cc1cc(C#N)ccc1N[C@H](C)[C@@H]1CCCO1 ZINC000037732637 712750315 /nfs/dbraw/zinc/75/03/15/712750315.db2.gz FIWQZMZUZRNFBP-RISCZKNCSA-N 0 0 230.311 2.846 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCC=CCCC1 ZINC000719063839 712794581 /nfs/dbraw/zinc/79/45/81/712794581.db2.gz XXQRQXQRPCGGJP-IHRRRGAJSA-N 0 0 246.354 2.931 10 30 BFEERN C=C[C@H](CC)OC(=O)/C=C\c1cccnc1 ZINC000588386011 958128804 /nfs/dbraw/zinc/12/88/04/958128804.db2.gz XRKXWEKIZKTSSF-QDZRJHCZSA-N 0 0 217.268 2.603 10 30 BFEERN C#CCC(C)(C)C(=O)NC/C=C\c1ccccc1 ZINC000588474018 958720010 /nfs/dbraw/zinc/72/00/10/958720010.db2.gz PIKHLKNDJZLUOF-FLIBITNWSA-N 0 0 241.334 2.866 10 30 BFEERN C=C[C@@H](C)OC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588539630 959012691 /nfs/dbraw/zinc/01/26/91/959012691.db2.gz BKBUYLBILNWZHY-XRVBUDJMSA-N 0 0 237.686 2.866 10 30 BFEERN C=C[C@H](C)OC(=O)/C=C\c1cccc(F)c1 ZINC000588540002 959014626 /nfs/dbraw/zinc/01/46/26/959014626.db2.gz KZXXIUVNLJMQEN-DMEOUFDRSA-N 0 0 220.243 2.957 10 30 BFEERN C/C=C(\CC)C(=O)O[C@@H](C#N)C(C)(C)C ZINC000588570208 959260472 /nfs/dbraw/zinc/26/04/72/959260472.db2.gz NARWTNQYSULGRK-ZKXNXJMVSA-N 0 0 209.289 2.824 10 30 BFEERN O=C1c2ccc(F)cc2C/C1=C/c1cocn1 ZINC000588578950 959335256 /nfs/dbraw/zinc/33/52/56/959335256.db2.gz ITVYVQDEJAXIST-UITAMQMPSA-N 0 0 229.210 2.636 10 30 BFEERN Cc1ccc(C(=O)/C=C\c2cocn2)s1 ZINC000588581188 959365902 /nfs/dbraw/zinc/36/59/02/959365902.db2.gz TWVYZRYOWLFWHK-ARJAWSKDSA-N 0 0 219.265 2.941 10 30 BFEERN Cc1noc(C)c1NC(=O)N1CC[C@H]2CCC[C@H]21 ZINC000330283854 961063960 /nfs/dbraw/zinc/06/39/60/961063960.db2.gz WRCQWTPUWRQHMY-GHMZBOCLSA-N 0 0 249.314 2.711 10 30 BFEERN C=C(CC)C[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC000715884304 977797880 /nfs/dbraw/zinc/79/78/80/977797880.db2.gz UOWYANLBOVHTAA-TZMCWYRMSA-N 0 0 237.343 2.529 10 30 BFEERN CC(C)(C)OC(=O)C#C[C@@H]1CCCCS1 ZINC000685954003 538898922 /nfs/dbraw/zinc/89/89/22/538898922.db2.gz RIGHFWIKPLPVSQ-JTQLQIEISA-N 0 0 226.341 2.617 10 30 BFEERN Cc1cc(CO)ccc1N(CCC#N)CC(C)C ZINC000050561334 178045378 /nfs/dbraw/zinc/04/53/78/178045378.db2.gz OOTFMILYBUGEPG-UHFFFAOYSA-N 0 0 246.354 2.863 10 30 BFEERN CSc1ccccc1NC(=O)[C@@H](C)S ZINC000232280685 398166328 /nfs/dbraw/zinc/16/63/28/398166328.db2.gz KTOYWSAOJLUFDS-SSDOTTSWSA-N 0 0 227.354 2.665 10 30 BFEERN Cc1cc(N2CC[C@H](C)[C@H]2C)c(C#N)c(C)n1 ZINC000301790409 178118936 /nfs/dbraw/zinc/11/89/36/178118936.db2.gz QKIJCDNDFDFFPV-JOYOIKCWSA-N 0 0 229.327 2.805 10 30 BFEERN Cc1ccc([C@@H](C)NC[C@@H](C#N)CCC#N)o1 ZINC000182565923 136219183 /nfs/dbraw/zinc/21/91/83/136219183.db2.gz GVARCWUXFLFNFS-VXGBXAGGSA-N 0 0 231.299 2.682 10 30 BFEERN Cc1ccc([C@H](C)NC[C@H](C#N)CCC#N)o1 ZINC000182565902 136219193 /nfs/dbraw/zinc/21/91/93/136219193.db2.gz GVARCWUXFLFNFS-RYUDHWBXSA-N 0 0 231.299 2.682 10 30 BFEERN Cc1cc(NC(=O)[C@@H](C#N)C(C)C)ccc1F ZINC000061119595 178144515 /nfs/dbraw/zinc/14/45/15/178144515.db2.gz HOLMUYLFKGZADL-NSHDSACASA-N 0 0 234.274 2.868 10 30 BFEERN C#CC(=O)c1ccc(Cl)c(Br)c1 ZINC000126752689 398219984 /nfs/dbraw/zinc/21/99/84/398219984.db2.gz JNUJZZXAJASQHG-UHFFFAOYSA-N 0 0 243.487 2.918 10 30 BFEERN Cc1cc(NC2CC=CC2)c(C#N)c(C)n1 ZINC000135511262 178153396 /nfs/dbraw/zinc/15/33/96/178153396.db2.gz ZCNAGNQFOSYHPE-UHFFFAOYSA-N 0 0 213.284 2.701 10 30 BFEERN Cc1cc(OCC/C(N)=N/O)ccc1C(C)C ZINC000019434229 178209642 /nfs/dbraw/zinc/20/96/42/178209642.db2.gz LJGQNMWFTFHZOE-UHFFFAOYSA-N 0 0 236.315 2.634 10 30 BFEERN COC(=O)C#Cc1ccc(C(C)(C)C)cc1 ZINC000070835453 361780198 /nfs/dbraw/zinc/78/01/98/361780198.db2.gz LQXGWENPCGENTO-UHFFFAOYSA-N 0 0 216.280 2.509 10 30 BFEERN CCC[C@@]1(C(=O)OCC)O[C@]1(C)CC1CC1 ZINC000229762793 538941214 /nfs/dbraw/zinc/94/12/14/538941214.db2.gz BRHKCLVKGVNOGO-OLZOCXBDSA-N 0 0 226.316 2.677 10 30 BFEERN Cc1cc2c(cc1O)[C@@](C)(O)C(=O)C=C2C(C)C ZINC000006070419 178291482 /nfs/dbraw/zinc/29/14/82/178291482.db2.gz JLCJSBOHWRDWQW-OAHLLOKOSA-N 0 0 246.306 2.530 10 30 endogenous,in-man BFEERN CC(C)(C)Nc1nccc(C#C[Si](C)(C)C)n1 ZINC000196275969 398251086 /nfs/dbraw/zinc/25/10/86/398251086.db2.gz RNAWLHMPQOKJFQ-UHFFFAOYSA-N 0 0 247.418 2.916 10 30 BFEERN Cc1ccc(-c2ccc(C#N)c(N)n2)c(C)c1 ZINC000050871160 178322444 /nfs/dbraw/zinc/32/24/44/178322444.db2.gz FGPNSUYQKWVADA-UHFFFAOYSA-N 0 0 223.279 2.819 10 30 BFEERN Cc1ccc(-c2ccc(C#N)c(N)n2)s1 ZINC000050871256 178323264 /nfs/dbraw/zinc/32/32/64/178323264.db2.gz JSEXVXJFTDEDHM-UHFFFAOYSA-N 0 0 215.281 2.572 10 30 BFEERN Cc1ccc(-c2cnn(CCC#N)c2)cc1 ZINC000049814978 178329218 /nfs/dbraw/zinc/32/92/18/178329218.db2.gz HCPLRALGLWDQGT-UHFFFAOYSA-N 0 0 211.268 2.772 10 30 BFEERN Cc1ccc(C#N)c(N(C)[C@H](C)C(C)C)n1 ZINC000043399281 178363512 /nfs/dbraw/zinc/36/35/12/178363512.db2.gz GBWCSBGZPFVHKS-LLVKDONJSA-N 0 0 217.316 2.742 10 30 BFEERN Cc1ccc(C#N)c(NCCCn2ccnc2)c1 ZINC000051578881 178364323 /nfs/dbraw/zinc/36/43/23/178364323.db2.gz XRUGQVFGHZDFRR-UHFFFAOYSA-N 0 0 240.310 2.565 10 30 BFEERN Cc1ccc(C#N)cc1Nc1ccc(C#N)cn1 ZINC000050430487 178367441 /nfs/dbraw/zinc/36/74/41/178367441.db2.gz GPDPRGRMJKASTK-UHFFFAOYSA-N 0 0 234.262 2.877 10 30 BFEERN Cc1ccc(C#N)cc1N[C@@H]1CCC[C@H]1C#N ZINC000054828907 178367530 /nfs/dbraw/zinc/36/75/30/178367530.db2.gz BDJWVZLAHLIWAI-QWHCGFSZSA-N 0 0 225.295 2.971 10 30 BFEERN COC(=O)[C@@H]1O[C@]12CCC[C@@H](CC(C)C)C2 ZINC000230793677 538951387 /nfs/dbraw/zinc/95/13/87/538951387.db2.gz ACFNIPRKUCMYBK-GVXVVHGQSA-N 0 0 226.316 2.533 10 30 BFEERN CCC(CC)N(CCOC)c1cc(C#N)ccn1 ZINC000042681506 168376425 /nfs/dbraw/zinc/37/64/25/168376425.db2.gz NZTVMANZLJFZMI-UHFFFAOYSA-N 0 0 247.342 2.595 10 30 BFEERN C=CC(=O)C1(NC(=O)OC(C)(C)C)CCCC1 ZINC000405676957 538960632 /nfs/dbraw/zinc/96/06/32/538960632.db2.gz WZMQAZFAOTVZED-UHFFFAOYSA-N 0 0 239.315 2.579 10 30 BFEERN C=CC(=O)[C@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC000405713276 538960832 /nfs/dbraw/zinc/96/08/32/538960832.db2.gz CABBYSNQEQJSOL-VIFPVBQESA-N 0 0 239.315 2.530 10 30 BFEERN C=CC(=O)[C@@H](C)N(C(=O)OC(C)(C)C)C1CC1 ZINC000405713273 538960834 /nfs/dbraw/zinc/96/08/34/538960834.db2.gz CABBYSNQEQJSOL-SECBINFHSA-N 0 0 239.315 2.530 10 30 BFEERN C[C@@H](CO)Nc1ccc2c(C#N)cccc2c1 ZINC000143959109 342691260 /nfs/dbraw/zinc/69/12/60/342691260.db2.gz LPJPNRTZILMLHX-JTQLQIEISA-N 0 0 226.279 2.504 10 30 BFEERN O=C1C=CC(O)(c2cc3ccccc3s2)C=C1 ZINC000006583996 342779808 /nfs/dbraw/zinc/77/98/08/342779808.db2.gz TXEIZQHZDIXJLD-UHFFFAOYSA-N 0 0 242.299 2.784 10 30 BFEERN CCN(c1ccc(C#N)c(C#N)c1)C(C)C ZINC000035855189 342787335 /nfs/dbraw/zinc/78/73/35/342787335.db2.gz RDZMZDVDHOCFSB-UHFFFAOYSA-N 0 0 213.284 2.665 10 30 BFEERN CC[C@@H](C#N)N[C@@H](C)c1ccccc1OC ZINC000088162745 398293996 /nfs/dbraw/zinc/29/39/96/398293996.db2.gz MVBTVFPIRLJBBX-QWRGUYRKSA-N 0 0 218.300 2.648 10 30 BFEERN C=C[C@H](NN)c1cc2ccccc2s1 ZINC000097752891 342837584 /nfs/dbraw/zinc/83/75/84/342837584.db2.gz TXJAVBADURNVGZ-VIFPVBQESA-N 0 0 204.298 2.592 10 30 BFEERN COc1cccc(C#CC(F)(F)F)c1 ZINC000196680161 539011939 /nfs/dbraw/zinc/01/19/39/539011939.db2.gz PGKZCRLVWUIVNI-UHFFFAOYSA-N 0 0 200.159 2.609 10 30 BFEERN CC[C@@H]([NH3+])C#Cc1sccc1Br ZINC000229906415 342854642 /nfs/dbraw/zinc/85/46/42/342854642.db2.gz ZATZWAKYEWLQHV-SSDOTTSWSA-N 0 0 244.157 2.599 10 30 BFEERN CCNc1sc(C#N)c(N)c1C1CC1 ZINC000233693799 342877784 /nfs/dbraw/zinc/87/77/84/342877784.db2.gz PKPXOKPPXNZGCJ-UHFFFAOYSA-N 0 0 207.302 2.511 10 30 BFEERN Cc1cnccc1CN[C@@H]1CCCC[C@H]1C#N ZINC000228668957 398325660 /nfs/dbraw/zinc/32/56/60/398325660.db2.gz FSRXOWLQQZJMEX-GXTWGEPZSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1cc(CC#N)c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000218131175 398325756 /nfs/dbraw/zinc/32/57/56/398325756.db2.gz QXLZXAMCRBPQKW-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN CC(C)Oc1nc(Cl)c(F)cc1C#N ZINC000575433937 398327738 /nfs/dbraw/zinc/32/77/38/398327738.db2.gz XUGJTYJUWIMYID-UHFFFAOYSA-N 0 0 214.627 2.533 10 30 BFEERN C#CCC(=O)c1ccc(C)c(Br)c1 ZINC000167700793 346891841 /nfs/dbraw/zinc/89/18/41/346891841.db2.gz LESFMWJXNVCVPC-UHFFFAOYSA-N 0 0 237.096 2.964 10 30 BFEERN C=C[C@@](C)(CC(=O)OCC)C(F)(F)F ZINC000113975966 187208104 /nfs/dbraw/zinc/20/81/04/187208104.db2.gz PQTSTJHCHCODFD-QMMMGPOBSA-N 0 0 210.195 2.694 10 30 BFEERN CC(C)(C)OC(=O)C#Cc1cccc(F)c1 ZINC000220125779 342967854 /nfs/dbraw/zinc/96/78/54/342967854.db2.gz YPYQRNWFZFPDDU-UHFFFAOYSA-N 0 0 220.243 2.519 10 30 BFEERN C=C(Cl)C[NH2+][C@H]1CSCCC1(C)C ZINC000167725222 346911177 /nfs/dbraw/zinc/91/11/77/346911177.db2.gz JGBWJNPPFZMWAJ-VIFPVBQESA-N 0 0 219.781 2.860 10 30 BFEERN O=CCc1ccc(OCc2ccco2)cc1 ZINC000214418675 349711449 /nfs/dbraw/zinc/71/14/49/349711449.db2.gz BNRZAJBLUWVESL-UHFFFAOYSA-N 0 0 216.236 2.600 10 30 BFEERN CO[C@](C)(c1ccc(C#N)cc1)C(F)(F)F ZINC000118648415 343051649 /nfs/dbraw/zinc/05/16/49/343051649.db2.gz FXKIQQCOPPOZCM-SNVBAGLBSA-N 0 0 229.201 2.982 10 30 BFEERN N#CCCNc1ccc(OC(F)(F)F)cc1 ZINC000034381987 187230182 /nfs/dbraw/zinc/23/01/82/187230182.db2.gz JIGWBKJSVZNOTN-UHFFFAOYSA-N 0 0 230.189 2.911 10 30 BFEERN N#CCCCCCNC(=O)NC1CCCCC1 ZINC000013493678 343090311 /nfs/dbraw/zinc/09/03/11/343090311.db2.gz GMQOHIXJYFSXHK-UHFFFAOYSA-N 0 0 237.347 2.702 10 30 BFEERN Cc1ncc(C#N)n1[C@H](C)c1ccccc1 ZINC000013281808 343076421 /nfs/dbraw/zinc/07/64/21/343076421.db2.gz PMQHYMYFNJILRD-SNVBAGLBSA-N 0 0 211.268 2.673 10 30 BFEERN C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000383211545 362013477 /nfs/dbraw/zinc/01/34/77/362013477.db2.gz PZTCZTFXCGHFFR-YVECIDJPSA-N 0 0 234.343 2.621 10 30 BFEERN CC(C)CCC#C[C@@H]1C[C@@H]1c1c[nH]cn1 ZINC000013795253 343104548 /nfs/dbraw/zinc/10/45/48/343104548.db2.gz OWZPODIBWTYIFN-NEPJUHHUSA-N 0 0 202.301 2.953 10 30 BFEERN CCc1ccc(CC(=O)C=C(C)O)cc1 ZINC000113222370 343120215 /nfs/dbraw/zinc/12/02/15/343120215.db2.gz MWPBYVZKEOVQHW-NTMALXAHSA-N 0 0 204.269 2.822 10 30 BFEERN C[C@H](C#N)Nc1ccc(Br)cc1F ZINC000043514200 343116033 /nfs/dbraw/zinc/11/60/33/343116033.db2.gz IAFSADCZJGYDJP-ZCFIWIBFSA-N 0 0 243.079 2.912 10 30 BFEERN C[C@H](C#N)Nc1cc(Br)ccc1F ZINC000043514922 343116553 /nfs/dbraw/zinc/11/65/53/343116553.db2.gz OWOUNKADNLZRTI-ZCFIWIBFSA-N 0 0 243.079 2.912 10 30 BFEERN CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C#N ZINC000259852253 343139219 /nfs/dbraw/zinc/13/92/19/343139219.db2.gz BIGZWKWQKYFLQI-MNOVXSKESA-N 0 0 238.331 2.793 10 30 BFEERN CCc1c(C#N)cc2ccccc2c1CO ZINC000039101500 343154922 /nfs/dbraw/zinc/15/49/22/343154922.db2.gz XLOOTXOIDLMGLO-UHFFFAOYSA-N 0 0 211.264 2.766 10 30 BFEERN C[C@H]1CC[C@H](NC(=O)CC#N)c2ccccc21 ZINC000185557741 136275244 /nfs/dbraw/zinc/27/52/44/136275244.db2.gz ZTXZKKCVEWLWBQ-GWCFXTLKSA-N 0 0 228.295 2.655 10 30 BFEERN Cc1c2ccccc2n(CCC#N)c1C=O ZINC000206123199 343219138 /nfs/dbraw/zinc/21/91/38/343219138.db2.gz BDCKJPUNORRZMW-UHFFFAOYSA-N 0 0 212.252 2.676 10 30 BFEERN C[C@@H]1CCC[C@@H](CC(=O)N[C@@H](C#N)C2CC2)C1 ZINC000108827322 136274061 /nfs/dbraw/zinc/27/40/61/136274061.db2.gz VNXPCFAPYMDOEH-WZRBSPASSA-N 0 0 234.343 2.621 10 30 BFEERN C[C@H](CC(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000108788010 136274093 /nfs/dbraw/zinc/27/40/93/136274093.db2.gz XTCHZHZEOJPZSM-SNVBAGLBSA-N 0 0 222.332 2.621 10 30 BFEERN Cc1cc(C#Cc2c[nH]c(C(C)C)n2)ccn1 ZINC000165997881 343286662 /nfs/dbraw/zinc/28/66/62/343286662.db2.gz CFRIYSCFOBFLSZ-UHFFFAOYSA-N 0 0 225.295 2.636 10 30 BFEERN CC(C)(C=O)c1ccc(Br)cc1 ZINC000034080928 343264063 /nfs/dbraw/zinc/26/40/63/343264063.db2.gz WDCNOQSTJRGLOG-UHFFFAOYSA-N 0 0 227.101 2.926 10 30 BFEERN CC(C)(C)OC(=O)NCC1CCC(C=O)CC1 ZINC000034551293 343274534 /nfs/dbraw/zinc/27/45/34/343274534.db2.gz NYVWCWFKYRHGOP-UHFFFAOYSA-N 0 0 241.331 2.516 10 30 BFEERN Cc1cc(-c2ccc(C#N)cc2)c(C#N)[nH]1 ZINC000200868629 343318198 /nfs/dbraw/zinc/31/81/98/343318198.db2.gz FFHMNHPHUBQSNL-UHFFFAOYSA-N 0 0 207.236 2.733 10 30 BFEERN CC/C=C/C(=O)c1nc2ccccc2[nH]1 ZINC000026462480 187254951 /nfs/dbraw/zinc/25/49/51/187254951.db2.gz SZNKHTMFIICBMQ-FPYGCLRLSA-N 0 0 200.241 2.712 10 30 BFEERN C[C@@]1(C(=O)/C=C/C=C/c2ccccc2)CO1 ZINC000309375835 343345544 /nfs/dbraw/zinc/34/55/44/343345544.db2.gz VBKAYJUJAKMNGY-INFHMVPCSA-N 0 0 214.264 2.614 10 30 BFEERN CCC1=C2CC[C@H](O)[C@]2(CC)CCC1=O ZINC000039101304 343383892 /nfs/dbraw/zinc/38/38/92/343383892.db2.gz LNGPKMOFLQZGOQ-QWHCGFSZSA-N 0 0 208.301 2.607 10 30 BFEERN CC(C)(C)c1ccc([C@@H](N)CC#N)cc1 ZINC000071508490 187260427 /nfs/dbraw/zinc/26/04/27/187260427.db2.gz BFNFYNMYZJUYHU-LBPRGKRZSA-N 0 0 202.301 2.898 10 30 BFEERN COc1cc(C[N@@H+]2C[C@H]3CCC[C@@H]32)ccc1C#N ZINC000335737087 136350825 /nfs/dbraw/zinc/35/08/25/136350825.db2.gz RCXCMPQXBRRODU-KGLIPLIRSA-N 0 0 242.322 2.551 10 30 BFEERN COc1cc(F)cc(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000312262873 136372497 /nfs/dbraw/zinc/37/24/97/136372497.db2.gz AOIPILSTFUBBFI-RISCZKNCSA-N 0 0 248.301 2.616 10 30 BFEERN COCc1cccc(CN[C@@H]2CCC[C@H]2C#N)c1 ZINC000054825809 136373057 /nfs/dbraw/zinc/37/30/57/136373057.db2.gz QEMYGRSECFJOQR-LSDHHAIUSA-N 0 0 244.338 2.615 10 30 BFEERN Cc1cc(N2CCCSCC2)c(C#N)c(C)n1 ZINC000157402959 133485956 /nfs/dbraw/zinc/48/59/56/133485956.db2.gz UFUTVFASUZEKEM-UHFFFAOYSA-N 0 0 247.367 2.513 10 30 BFEERN N#C[C@H](c1cccnc1)N1CCCCCC1 ZINC000038086226 187262462 /nfs/dbraw/zinc/26/24/62/187262462.db2.gz ZTMFZFMGNZWANN-CYBMUJFWSA-N 0 0 215.300 2.522 10 30 BFEERN CC(=O)N1CCCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616627552 343525595 /nfs/dbraw/zinc/52/55/95/343525595.db2.gz KOSOXQZZIYOSKB-HNNXBMFYSA-N 0 0 242.322 2.674 10 30 BFEERN C[C@@H](C#N)c1ccc2nc(N)sc2c1 ZINC000045236978 343526656 /nfs/dbraw/zinc/52/66/56/343526656.db2.gz IHEABMHIKCSNJG-LURJTMIESA-N 0 0 203.270 2.506 10 30 BFEERN C=CCc1ccc(CCC(=O)OC)cc1 ZINC000165121985 343548040 /nfs/dbraw/zinc/54/80/40/343548040.db2.gz JCPZDIXUVZULRC-UHFFFAOYSA-N 0 0 204.269 2.521 10 30 BFEERN N#Cc1cccc(-n2cc(-c3ccccn3)cn2)c1 ZINC000013582324 343580886 /nfs/dbraw/zinc/58/08/86/343580886.db2.gz SLFBHONCPFNHGU-UHFFFAOYSA-N 0 0 246.273 2.806 10 30 in-vivo BFEERN COc1ccc(CCC#N)cc1Br ZINC000049600434 343604397 /nfs/dbraw/zinc/60/43/97/343604397.db2.gz HQLLUIGQAYVFBX-UHFFFAOYSA-N 0 0 240.100 2.914 10 30 BFEERN C=CCOc1ccc([C@@H](O)C(F)(F)F)cc1 ZINC000167778491 343605456 /nfs/dbraw/zinc/60/54/56/343605456.db2.gz BUAYNTGABXSKDI-SNVBAGLBSA-N 0 0 232.201 2.847 10 30 BFEERN CCC[C@H](C#N)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000044812135 187268458 /nfs/dbraw/zinc/26/84/58/187268458.db2.gz PQIUPQPTOXYWID-GRYCIOLGSA-N 0 0 222.332 2.716 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000300033873 537801764 /nfs/dbraw/zinc/80/17/64/537801764.db2.gz YIJDLNXGFFGTAQ-FXAINCCUSA-N 0 0 246.734 2.710 10 30 BFEERN N#CCCCCOCc1ccc2c(c1)OCO2 ZINC000049579533 187270142 /nfs/dbraw/zinc/27/01/42/187270142.db2.gz FKIXJYOMMHOKLD-UHFFFAOYSA-N 0 0 233.267 2.626 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@]12C[C@H](C)CC(C)(C)C2 ZINC000300033875 537802576 /nfs/dbraw/zinc/80/25/76/537802576.db2.gz YIJDLNXGFFGTAQ-ZHAHWJHGSA-N 0 0 246.734 2.710 10 30 BFEERN N#Cc1cccc(N[C@H]2CCC[C@@H]2C#N)c1 ZINC000054823952 187272331 /nfs/dbraw/zinc/27/23/31/187272331.db2.gz QUPAUANOWCOLAM-YPMHNXCESA-N 0 0 211.268 2.662 10 30 BFEERN CCCCCCCNc1cc(Cl)ncn1 ZINC000409428391 343803184 /nfs/dbraw/zinc/80/31/84/343803184.db2.gz DVRLKRCWYSOMNH-UHFFFAOYSA-N 0 0 227.739 2.934 10 30 BFEERN O=CCc1cn(CC2CC2)nc1-c1ccsc1 ZINC000409440077 343854131 /nfs/dbraw/zinc/85/41/31/343854131.db2.gz RPCSWBJPPNMCLZ-UHFFFAOYSA-N 0 0 246.335 2.763 10 30 BFEERN CCn1cc(C#N)c(=O)c2ccc(C)c(C)c21 ZINC000072237042 187277006 /nfs/dbraw/zinc/27/70/06/187277006.db2.gz GTCUWLHSYQHDQO-UHFFFAOYSA-N 0 0 226.279 2.510 10 30 BFEERN N#Cc1cc(Cl)nc(OC2CCC2)c1 ZINC000215368996 349876262 /nfs/dbraw/zinc/87/62/62/349876262.db2.gz QINZRCXELOEBIZ-UHFFFAOYSA-N 0 0 208.648 2.538 10 30 BFEERN C#CCn1nc(-c2ccccc2)c2c1CCC2 ZINC000409437179 343842206 /nfs/dbraw/zinc/84/22/06/343842206.db2.gz FDVPELTZMIKFAB-UHFFFAOYSA-N 0 0 222.291 2.672 10 30 BFEERN C#CCn1nc(-c2ccsc2)c2c1CCC2 ZINC000409437066 343842310 /nfs/dbraw/zinc/84/23/10/343842310.db2.gz DDLDQURESCJULQ-UHFFFAOYSA-N 0 0 228.320 2.734 10 30 BFEERN N#CCn1nc(-c2ccsc2)c2c1CCC2 ZINC000409439132 343846649 /nfs/dbraw/zinc/84/66/49/343846649.db2.gz NSYVNQBBYMWJTP-UHFFFAOYSA-N 0 0 229.308 2.624 10 30 BFEERN C=CC[C@](C#N)(C(=O)OCC)[C@@H](C)C#CCC ZINC000071792955 187276798 /nfs/dbraw/zinc/27/67/98/187276798.db2.gz CWJBQWKCRLZBCR-GXTWGEPZSA-N 0 0 233.311 2.685 10 30 BFEERN CCCn1cc(C#N)c(=O)c2cc(F)cc(F)c21 ZINC000072237086 187276892 /nfs/dbraw/zinc/27/68/92/187276892.db2.gz UTATVFIYYJPCKX-UHFFFAOYSA-N 0 0 248.232 2.561 10 30 BFEERN CC(C)n1nc(-c2ccccn2)cc1CC#N ZINC000409444092 343861566 /nfs/dbraw/zinc/86/15/66/343861566.db2.gz ZVHKKHVKQKJSCX-UHFFFAOYSA-N 0 0 226.283 2.592 10 30 BFEERN CCn1nc(-c2ccccc2)cc1CC#N ZINC000409443641 343862256 /nfs/dbraw/zinc/86/22/56/343862256.db2.gz QROHOGFSHQOWEZ-UHFFFAOYSA-N 0 0 211.268 2.636 10 30 BFEERN C#C[C@@H](C)Oc1ccc(Cl)cc1C=O ZINC000235229222 343869088 /nfs/dbraw/zinc/86/90/88/343869088.db2.gz NIUBBSIEMVXSMQ-MRVPVSSYSA-N 0 0 208.644 2.553 10 30 BFEERN C[C@@]1(C#N)CCCN1Cc1ccccc1 ZINC000208093300 343889642 /nfs/dbraw/zinc/88/96/42/343889642.db2.gz KSDNXKKNELKONC-ZDUSSCGKSA-N 0 0 200.285 2.565 10 30 BFEERN CC=CC(=O)c1coc(Br)c1 ZINC000306995546 343898324 /nfs/dbraw/zinc/89/83/24/343898324.db2.gz QMVNAOCKCNKYTN-UHFFFAOYSA-N 0 0 215.046 2.801 10 30 BFEERN C#CC(C)(C)Oc1nc(Br)cs1 ZINC000135119098 343937958 /nfs/dbraw/zinc/93/79/58/343937958.db2.gz NPEQGRIOVRDOHM-UHFFFAOYSA-N 0 0 246.129 2.696 10 30 BFEERN N#C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CCCCC1 ZINC000251466258 343925862 /nfs/dbraw/zinc/92/58/62/343925862.db2.gz VGVXUSHMYKLOOQ-XJFOESAGSA-N 0 0 246.354 2.621 10 30 BFEERN C[C@@H]1CN(C(C)(C)C#N)Cc2ccccc2O1 ZINC000335890118 344044294 /nfs/dbraw/zinc/04/42/94/344044294.db2.gz MABRDWVXRYDUMH-LLVKDONJSA-N 0 0 230.311 2.572 10 30 BFEERN Cc1cc([C@H]2OCC[C@@H]2C#N)c(C)s1 ZINC000070672444 343953980 /nfs/dbraw/zinc/95/39/80/343953980.db2.gz CODJKHARHLWDJO-KOLCDFICSA-N 0 0 207.298 2.966 10 30 BFEERN C=CCNc1ccc2scnc2c1[N+](=O)[O-] ZINC000050522476 187357666 /nfs/dbraw/zinc/35/76/66/187357666.db2.gz VYWUGMHCDQTCEE-UHFFFAOYSA-N 0 0 235.268 2.802 10 30 BFEERN CC(C)c1cnc(C#N)c(OC2CC2)c1 ZINC000095736449 187287600 /nfs/dbraw/zinc/28/76/00/187287600.db2.gz WCALTPGXKNDCBX-UHFFFAOYSA-N 0 0 202.257 2.618 10 30 BFEERN CC(C)(C)C#Cc1cc(C(F)(F)F)ncn1 ZINC000585143854 344179128 /nfs/dbraw/zinc/17/91/28/344179128.db2.gz QIPFTTCUVISJKJ-UHFFFAOYSA-N 0 0 228.217 2.893 10 30 BFEERN CC(C)(C)C#Cc1nccc(C(F)(F)F)n1 ZINC000585143756 344179005 /nfs/dbraw/zinc/17/90/05/344179005.db2.gz LCLIAZXELODKDG-UHFFFAOYSA-N 0 0 228.217 2.893 10 30 BFEERN CC(C)(C)c1ncc(OC2CC2)cc1C#N ZINC000095734774 187288303 /nfs/dbraw/zinc/28/83/03/187288303.db2.gz KBWRNPHZQSKAMY-UHFFFAOYSA-N 0 0 216.284 2.792 10 30 BFEERN C#CC[C@H](CC)Nc1ccc(Cl)cn1 ZINC000127305437 344127990 /nfs/dbraw/zinc/12/79/90/344127990.db2.gz PLXHOQNEVXDZJP-JTQLQIEISA-N 0 0 208.692 2.949 10 30 BFEERN CN(C)c1cc(Br)c(C#N)cc1F ZINC000306521548 344233570 /nfs/dbraw/zinc/23/35/70/344233570.db2.gz GFVHBMMWQZOHBQ-UHFFFAOYSA-N 0 0 243.079 2.526 10 30 BFEERN N#Cc1ncc(OC(F)(F)F)cc1C(F)F ZINC000309378927 344235883 /nfs/dbraw/zinc/23/58/83/344235883.db2.gz WYMGILGURUCZQL-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN C#CC(C)(C)OCc1ccnc(Cl)c1 ZINC000165954396 344247885 /nfs/dbraw/zinc/24/78/85/344247885.db2.gz TUPZQJIMIKVISZ-UHFFFAOYSA-N 0 0 209.676 2.663 10 30 BFEERN C=C(Cl)Cn1cc2c(c1)C(=O)CCC2 ZINC000135396240 344254611 /nfs/dbraw/zinc/25/46/11/344254611.db2.gz QMPBGNJEDZNVSY-UHFFFAOYSA-N 0 0 209.676 2.760 10 30 BFEERN C=CCN=CNc1ccc(-c2c[nH]cn2)cc1 ZINC000027299844 344241106 /nfs/dbraw/zinc/24/11/06/344241106.db2.gz LOKQDUJIZKOTDN-UHFFFAOYSA-N 0 0 226.283 2.703 10 30 BFEERN CN(O)C(=O)CCc1ccc2ccccc2c1 ZINC000028086558 344334221 /nfs/dbraw/zinc/33/42/21/344334221.db2.gz BLIBCDZMLZUBQT-UHFFFAOYSA-N 0 0 229.279 2.620 10 30 in-vivo BFEERN CC(C)Nc1nc(Cl)c(C#N)cc1F ZINC000409425420 344450888 /nfs/dbraw/zinc/45/08/88/344450888.db2.gz LXVXMRUIIFXGNH-UHFFFAOYSA-N 0 0 213.643 2.566 10 30 BFEERN CC(C)(C)Cc1cc(C#N)nc(C2CC2)n1 ZINC000409440223 344462890 /nfs/dbraw/zinc/46/28/90/344462890.db2.gz WIVXDNFEDGXNIR-UHFFFAOYSA-N 0 0 215.300 2.814 10 30 BFEERN N#Cc1c(-c2ccoc2)n[nH]c1C1CCC1 ZINC000409440736 344463409 /nfs/dbraw/zinc/46/34/09/344463409.db2.gz OPEDPBOKXSEVMV-UHFFFAOYSA-N 0 0 213.240 2.809 10 30 BFEERN N#Cc1cccc(CN[C@@H]2CCCC[C@H]2C#N)c1 ZINC000054825647 344472232 /nfs/dbraw/zinc/47/22/32/344472232.db2.gz UOGVERWRTWTTHQ-LSDHHAIUSA-N 0 0 239.322 2.730 10 30 BFEERN Cc1csc(CN[C@@H]2CCCC[C@@H]2C#N)n1 ZINC000054825973 344472317 /nfs/dbraw/zinc/47/23/17/344472317.db2.gz SIKCLMJRLGHXLO-GHMZBOCLSA-N 0 0 235.356 2.624 10 30 BFEERN Cc1cccc(CN[C@@H]2CCCC[C@H]2C#N)n1 ZINC000054829152 344473988 /nfs/dbraw/zinc/47/39/88/344473988.db2.gz KTFLPVHIOIQVLV-GXTWGEPZSA-N 0 0 229.327 2.562 10 30 BFEERN CC[C@H]1C[C@@H]1Nc1ccc(F)cc1C#N ZINC000230905972 349912330 /nfs/dbraw/zinc/91/23/30/349912330.db2.gz OBBYYYXSJOMDRM-UFBFGSQYSA-N 0 0 204.248 2.908 10 30 BFEERN C#CCC(=O)c1csc(Br)c1 ZINC000158214738 344567799 /nfs/dbraw/zinc/56/77/99/344567799.db2.gz OPWOUHSAWPJDAQ-UHFFFAOYSA-N 0 0 229.098 2.717 10 30 BFEERN N#CCc1c(F)ccc(OC(F)F)c1F ZINC000396124938 344609402 /nfs/dbraw/zinc/60/94/02/344609402.db2.gz IZERWHTUSVFHEO-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN N#Cc1ccc(OCF)cc1OC(F)(F)F ZINC000396126279 344609834 /nfs/dbraw/zinc/60/98/34/344609834.db2.gz MTJVQEGIOOIUSQ-UHFFFAOYSA-N 0 0 235.136 2.763 10 30 BFEERN N#CCc1cc(C#N)cc(C(F)(F)F)c1 ZINC000396107852 344604104 /nfs/dbraw/zinc/60/41/04/344604104.db2.gz UUHKZYMSLHVNIO-UHFFFAOYSA-N 0 0 210.158 2.643 10 30 BFEERN CC(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000396113541 344605934 /nfs/dbraw/zinc/60/59/34/344605934.db2.gz DFUHGQSQJFZBNH-UHFFFAOYSA-N 0 0 213.158 2.780 10 30 BFEERN Cc1cc(C)c(C#N)c(N2CCC3(CC3)C2)n1 ZINC000400413629 344654583 /nfs/dbraw/zinc/65/45/83/344654583.db2.gz VGHITLBCYVKDLT-UHFFFAOYSA-N 0 0 227.311 2.560 10 30 BFEERN CO/N=C1\CCc2c1cccc2C1CC1 ZINC000113235742 344657980 /nfs/dbraw/zinc/65/79/80/344657980.db2.gz TWMPQFKASVEWRE-BUHFOSPRSA-N 0 0 201.269 2.861 10 30 BFEERN CCC[C@@H]1C[C@@](Br)(C#N)CCO1 ZINC000127719175 344621903 /nfs/dbraw/zinc/62/19/03/344621903.db2.gz HQZKSMBGJSRAAC-RKDXNWHRSA-N 0 0 232.121 2.623 10 30 BFEERN N#Cc1c(F)cccc1N1CCC2(CC2)C1 ZINC000400437289 344687707 /nfs/dbraw/zinc/68/77/07/344687707.db2.gz HELYVWWRUMCBIU-UHFFFAOYSA-N 0 0 216.259 2.688 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1NC(=O)c1cccs1 ZINC000259854366 344695035 /nfs/dbraw/zinc/69/50/35/344695035.db2.gz GEPQHCPHYMWVEH-VHSXEESVSA-N 0 0 234.324 2.560 10 30 BFEERN CCCCO/C=C/C(=O)C(F)(F)Cl ZINC000115199780 344705171 /nfs/dbraw/zinc/70/51/71/344705171.db2.gz OJELCGWVOBLRJY-GQCTYLIASA-N 0 0 212.623 2.718 10 30 BFEERN Cc1cc(F)ccc1C(=O)C[C@H](C)C#N ZINC000050568866 344711971 /nfs/dbraw/zinc/71/19/71/344711971.db2.gz AWHGXCRAUYAEJX-QMMMGPOBSA-N 0 0 205.232 2.867 10 30 BFEERN Cc1nsc(NC2(C)CCC2)c1C#N ZINC000135573955 344757721 /nfs/dbraw/zinc/75/77/21/344757721.db2.gz RKPRWQVDCLFWMZ-UHFFFAOYSA-N 0 0 207.302 2.678 10 30 BFEERN CCSC[C@H](C)N(C)c1ncccc1C#N ZINC000074770541 344758894 /nfs/dbraw/zinc/75/88/94/344758894.db2.gz OFFRKDDBDGHZML-JTQLQIEISA-N 0 0 235.356 2.531 10 30 BFEERN C[C@@H](C#N)C(=O)c1ccc(Cl)c(F)c1 ZINC000235072160 344762335 /nfs/dbraw/zinc/76/23/35/344762335.db2.gz KDUWFNHYYUJRSA-LURJTMIESA-N 0 0 211.623 2.821 10 30 BFEERN CCCCCCC(=O)/C=C/C(=O)OCC ZINC000117979808 344766810 /nfs/dbraw/zinc/76/68/10/344766810.db2.gz VYTHSWBZTRAOOQ-MDZDMXLPSA-N 0 0 212.289 2.645 10 30 BFEERN C[C@@H](C#N)[C@H](O)c1ccc(F)cc1Cl ZINC000235106082 344789463 /nfs/dbraw/zinc/78/94/63/344789463.db2.gz RZPBHRMKUFIRLS-WKEGUHRASA-N 0 0 213.639 2.672 10 30 BFEERN C=C(Br)CSc1ncccc1N ZINC000037681580 187292811 /nfs/dbraw/zinc/29/28/11/187292811.db2.gz KXSJKYPWLJGHPS-UHFFFAOYSA-N 0 0 245.145 2.665 10 30 BFEERN CCOC(=O)CC1([C@H]2CO2)CCC(C)(C)CC1 ZINC000675052704 537860412 /nfs/dbraw/zinc/86/04/12/537860412.db2.gz IDSSEDUROGRWQB-LLVKDONJSA-N 0 0 240.343 2.925 10 30 BFEERN N#CCc1c(N)cc(Cl)cc1Cl ZINC000224280281 344887127 /nfs/dbraw/zinc/88/71/27/344887127.db2.gz SVTBBQDBVAVHFZ-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN Cc1csc(C[C@@]2(C#N)CCCS2)n1 ZINC000166447361 344898824 /nfs/dbraw/zinc/89/88/24/344898824.db2.gz RFEYAWLPCZAPRQ-SNVBAGLBSA-N 0 0 224.354 2.783 10 30 BFEERN Cc1ccc([C@H](O)[C@H](C)C#N)cc1Cl ZINC000235405800 344903816 /nfs/dbraw/zinc/90/38/16/344903816.db2.gz YTXIOXSWLNZRKU-LDYMZIIASA-N 0 0 209.676 2.842 10 30 BFEERN Cc1ccc(Nc2ncc(N)cc2C#N)cc1C ZINC000037759011 178781697 /nfs/dbraw/zinc/78/16/97/178781697.db2.gz DTMKBQSDFMPBQF-UHFFFAOYSA-N 0 0 238.294 2.896 10 30 BFEERN Cc1ccoc1-c1cc(N)c(C#N)s1 ZINC000044273430 345005051 /nfs/dbraw/zinc/00/50/51/345005051.db2.gz PNDWAUBRLSPYGI-UHFFFAOYSA-N 0 0 204.254 2.770 10 30 BFEERN N#Cc1cnc(OC(F)(F)F)c(Cl)c1 ZINC000238547526 345074727 /nfs/dbraw/zinc/07/47/27/345074727.db2.gz HYAFBYPHSDMDMG-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN C[C@H]1CC[C@H](c2ncc(C#N)c(Cl)n2)C1 ZINC000307195081 345164557 /nfs/dbraw/zinc/16/45/57/345164557.db2.gz QSBBWTWXAZKLCK-YUMQZZPRSA-N 0 0 221.691 2.905 10 30 BFEERN C=C(C)CC(=O)[C@H]1CNc2ccccc21 ZINC000226735046 345240364 /nfs/dbraw/zinc/24/03/64/345240364.db2.gz QGTAKHVOIFNNGA-NSHDSACASA-N 0 0 201.269 2.731 10 30 BFEERN C=C(C)CC(=O)[C@H]1Cc2ccccc2N1 ZINC000226770736 345241046 /nfs/dbraw/zinc/24/10/46/345241046.db2.gz SDTLKHVGRVKNNP-GFCCVEGCSA-N 0 0 201.269 2.559 10 30 BFEERN N#Cc1nc(Nc2ccccc2)ccc1[N+](=O)[O-] ZINC000039151124 345357639 /nfs/dbraw/zinc/35/76/39/345357639.db2.gz GZXSDEFOXCPPFB-UHFFFAOYSA-N 0 0 240.222 2.605 10 30 BFEERN C=C(Cl)CNc1nc(Cl)ncc1C ZINC000229315988 345503154 /nfs/dbraw/zinc/50/31/54/345503154.db2.gz NCYKVUWOTODKRI-UHFFFAOYSA-N 0 0 218.087 2.603 10 30 BFEERN N#Cc1cccc(CO[C@@H]2CCCCO2)c1 ZINC000113924808 345754821 /nfs/dbraw/zinc/75/48/21/345754821.db2.gz BHVKGQFVWYMARD-CYBMUJFWSA-N 0 0 217.268 2.601 10 30 BFEERN C=CCc1cccc([N+](=O)[O-])c1OCC#CC ZINC000113814827 345754866 /nfs/dbraw/zinc/75/48/66/345754866.db2.gz YBEOJGOKPDUXFF-UHFFFAOYSA-N 0 0 231.251 2.725 10 30 BFEERN CC(C)COc1cccc([N+](=O)[O-])c1C#N ZINC000114241304 345755749 /nfs/dbraw/zinc/75/57/49/345755749.db2.gz UBNWANRBCMBORT-UHFFFAOYSA-N 0 0 220.228 2.501 10 30 BFEERN C#CCc1ccc(COc2ccccn2)cc1 ZINC000113992754 345756020 /nfs/dbraw/zinc/75/60/20/345756020.db2.gz ZOOWXNXJYQKSBA-UHFFFAOYSA-N 0 0 223.275 2.836 10 30 BFEERN COc1ccc([C@@H](C#N)c2ccccn2)cc1 ZINC000032014785 345705744 /nfs/dbraw/zinc/70/57/44/345705744.db2.gz QDMAFCQMTITPDU-CYBMUJFWSA-N 0 0 224.263 2.746 10 30 BFEERN N#Cc1ccc(S(=O)(=O)C2CCCCC2)cc1 ZINC000168328878 345812445 /nfs/dbraw/zinc/81/24/45/345812445.db2.gz HGVXWFUONJLVAD-UHFFFAOYSA-N 0 0 249.335 2.665 10 30 BFEERN CC(=O)N(CCCCC#N)OCc1ccccc1 ZINC000034223567 345819696 /nfs/dbraw/zinc/81/96/96/345819696.db2.gz IEFDNMWPEPRRKO-UHFFFAOYSA-N 0 0 246.310 2.661 10 30 BFEERN CC#CCNc1cc(C)c(Br)cn1 ZINC000163941676 345781060 /nfs/dbraw/zinc/78/10/60/345781060.db2.gz CZKHROFTBHIMQU-UHFFFAOYSA-N 0 0 239.116 2.588 10 30 BFEERN CC[C@H](NC(C)=NC#N)c1ccc(OC)cc1 ZINC000136853568 345821515 /nfs/dbraw/zinc/82/15/15/345821515.db2.gz NRNVDSJNGICISD-ZDUSSCGKSA-N 0 0 231.299 2.635 10 30 BFEERN N#CCCC(=O)c1ccc(C(=O)CCC#N)cc1 ZINC000034331483 345821680 /nfs/dbraw/zinc/82/16/80/345821680.db2.gz UZZHGTTXZUKRGZ-UHFFFAOYSA-N 0 0 240.262 2.660 10 30 BFEERN C#C[C@@H](C)Nc1ccc(Cl)cc1C#N ZINC000164468238 345784636 /nfs/dbraw/zinc/78/46/36/345784636.db2.gz RBNSFGJSRKZVAY-MRVPVSSYSA-N 0 0 204.660 2.645 10 30 BFEERN C#CC[C@@H](O)C1(Cc2cccs2)CCC1 ZINC000167484844 345791619 /nfs/dbraw/zinc/79/16/19/345791619.db2.gz LATIKSOOTLUITP-GFCCVEGCSA-N 0 0 220.337 2.845 10 30 BFEERN C#Cc1nc(C)n(-c2cc(F)cc(F)c2)c1C ZINC000142824882 345863878 /nfs/dbraw/zinc/86/38/78/345863878.db2.gz CPBHLGWXHFIIQI-UHFFFAOYSA-N 0 0 232.233 2.749 10 30 BFEERN C=CCOc1ccc2c(c1)C(C)(C)[C@@H](OC)O2 ZINC000034490734 345835765 /nfs/dbraw/zinc/83/57/65/345835765.db2.gz ZYYMAWPHHHTTAR-ZDUSSCGKSA-N 0 0 234.295 2.894 10 30 BFEERN C#CCCOc1ncc(Br)cc1C ZINC000235746674 345840349 /nfs/dbraw/zinc/84/03/49/345840349.db2.gz NLFGPZOJVOUCKV-UHFFFAOYSA-N 0 0 240.100 2.555 10 30 BFEERN C=CCC(=O)Nc1cnc(Cl)c(C)c1 ZINC000235749989 345841044 /nfs/dbraw/zinc/84/10/44/345841044.db2.gz WYVGHYUZWZIWNF-UHFFFAOYSA-N 0 0 210.664 2.558 10 30 BFEERN Cc1ccc(F)cc1[C@@H]1CC(=O)C=CO1 ZINC000235787227 345870622 /nfs/dbraw/zinc/87/06/22/345870622.db2.gz HVAWGUUXULVQGW-LBPRGKRZSA-N 0 0 206.216 2.678 10 30 BFEERN C/C=C/C[C@H](COCc1ccccc1)OCC=O ZINC000145425296 345936532 /nfs/dbraw/zinc/93/65/32/345936532.db2.gz LVSLBZFJJJNFBU-XYBNCVKDSA-N 0 0 248.322 2.754 10 30 BFEERN FC(F)(F)c1cccc(C[C@@H]2CO2)c1 ZINC000148336237 345975314 /nfs/dbraw/zinc/97/53/14/345975314.db2.gz UHVIFMUYCZIOGE-SECBINFHSA-N 0 0 202.175 2.647 10 30 BFEERN C=CC/C(=N/OC(C)=O)c1ccccc1 ZINC000146558811 345976495 /nfs/dbraw/zinc/97/64/95/345976495.db2.gz NYTAZPBEYYTMCM-SEYXRHQNSA-N 0 0 203.241 2.530 10 30 BFEERN CC(C)(C)c1ccc(COS(C)(=O)=O)s1 ZINC000147242602 346009279 /nfs/dbraw/zinc/00/92/79/346009279.db2.gz RGMMRELMLVBTKL-UHFFFAOYSA-N 0 0 248.369 2.522 10 30 BFEERN Cc1ccc([C@@H](C)NCCC#N)c(C)c1 ZINC000020199772 187315921 /nfs/dbraw/zinc/31/59/21/187315921.db2.gz KQCZOTCTAYJIAM-GFCCVEGCSA-N 0 0 202.301 2.868 10 30 BFEERN N#Cc1ccc2c(ccn2CC(F)F)c1 ZINC000236151772 346200304 /nfs/dbraw/zinc/20/03/04/346200304.db2.gz BUZXSZRAPDNHBX-UHFFFAOYSA-N 0 0 206.195 2.778 10 30 BFEERN O=C(C1=CCCO1)c1ccc(Cl)c(F)c1 ZINC000236162310 346204085 /nfs/dbraw/zinc/20/40/85/346204085.db2.gz BTEHGYVIYXKZNJ-UHFFFAOYSA-N 0 0 226.634 2.966 10 30 BFEERN O=[N+]([O-])c1cccc(C=[N+]([O-])c2ccccc2)c1 ZINC000575131499 346181540 /nfs/dbraw/zinc/18/15/40/346181540.db2.gz ZFDZJGCYVBNYHO-UHFFFAOYSA-N 0 0 243.242 2.747 10 30 BFEERN C#C[C@H](O)c1cc(Cl)sc1Cl ZINC000236507798 346245313 /nfs/dbraw/zinc/24/53/13/346245313.db2.gz SNVOSWXMJLDEBS-YFKPBYRVSA-N 0 0 207.081 2.722 10 30 BFEERN N#Cc1ccc(Oc2ccccc2)c(N)c1 ZINC000034452002 346286367 /nfs/dbraw/zinc/28/63/67/346286367.db2.gz PLIPOOCGFPSTQK-UHFFFAOYSA-N 0 0 210.236 2.933 10 30 BFEERN CCOC(=O)C[C@]1([C@H]2CO2)CCC[C@H](C)C1 ZINC000675052391 537964328 /nfs/dbraw/zinc/96/43/28/537964328.db2.gz DOKNEMNOTTTWEI-LOWVWBTDSA-N 0 0 226.316 2.535 10 30 BFEERN C=C(C)/C=C/S(=O)(=O)c1ccccc1 ZINC000090157358 346342411 /nfs/dbraw/zinc/34/24/11/346342411.db2.gz GGNCVHVNQVXNKP-CMDGGOBGSA-N 0 0 208.282 2.550 10 30 BFEERN Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2C#N)c1 ZINC000054825583 179098278 /nfs/dbraw/zinc/09/82/78/179098278.db2.gz YITIISTUWHGIIN-UONOGXRCSA-N 0 0 214.312 2.777 10 30 BFEERN C#CCSc1ccc(N)cc1Br ZINC000148202200 346500377 /nfs/dbraw/zinc/50/03/77/346500377.db2.gz ZIPHSULMSSAQGB-UHFFFAOYSA-N 0 0 242.141 2.757 10 30 BFEERN CC(C)/N=C\c1cc(Br)ccc1O ZINC000005522169 346622848 /nfs/dbraw/zinc/62/28/48/346622848.db2.gz NPNNRVDKWVPVJP-SDQBBNPISA-N 0 0 242.116 2.982 10 30 BFEERN Cc1cc(C#N)cc(N[C@@H]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000588009649 346618118 /nfs/dbraw/zinc/61/81/18/346618118.db2.gz KGLAGYNAPKQKDI-PTEHBNRSSA-N 0 0 245.326 2.630 10 30 BFEERN CO/N=C(/Cc1ccccc1)c1ccc(O)cc1 ZINC000165325502 346647996 /nfs/dbraw/zinc/64/79/96/346647996.db2.gz NGVQBMPPONUNMK-NXVVXOECSA-N 0 0 241.290 2.985 10 30 BFEERN C[C@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000106401346 346651708 /nfs/dbraw/zinc/65/17/08/346651708.db2.gz DPZBQJKAKIFNPH-REOHCLBHSA-N 0 0 246.097 2.538 10 30 BFEERN Cc1c(F)c(Cl)nc(Cl)c1C#N ZINC000585681321 346653567 /nfs/dbraw/zinc/65/35/67/346653567.db2.gz CPYWGMDANCTOCH-UHFFFAOYSA-N 0 0 205.019 2.708 10 30 BFEERN C=CC(=O)c1c(F)cccc1Br ZINC000165098932 346639619 /nfs/dbraw/zinc/63/96/19/346639619.db2.gz NCAULEUCIYZSAB-UHFFFAOYSA-N 0 0 229.048 2.957 10 30 BFEERN C[C@H](O)c1ccncc1-c1ccc(C#N)cc1F ZINC000166854620 346693286 /nfs/dbraw/zinc/69/32/86/346693286.db2.gz SJHJGPXECOROMX-VIFPVBQESA-N 0 0 242.253 2.813 10 30 BFEERN N#Cc1ccccc1/N=N/N1CCCC1 ZINC000169392188 346759802 /nfs/dbraw/zinc/75/98/02/346759802.db2.gz OHHGJTKZYXPDJZ-BUHFOSPRSA-N 0 0 200.245 2.653 10 30 BFEERN COC(=O)C[C@@]1([C@@H]2CO2)CCCC(C)(C)C1 ZINC000675055268 537989669 /nfs/dbraw/zinc/98/96/69/537989669.db2.gz ZRDZBHURRUYZRD-GWCFXTLKSA-N 0 0 226.316 2.535 10 30 BFEERN CCCC(=O)[C@H](C#N)c1cccc(C)c1 ZINC000049812270 168571913 /nfs/dbraw/zinc/57/19/13/168571913.db2.gz UEANZPYIQZTQNQ-GFCCVEGCSA-N 0 0 201.269 2.971 10 30 BFEERN Cc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1F ZINC000110976757 347472850 /nfs/dbraw/zinc/47/28/50/347472850.db2.gz SQZVWLQCJSHQFD-JSGCOSHPSA-N 0 0 232.302 2.916 10 30 BFEERN C[Si](C)(C)C#CC/N=C/c1ccccc1 ZINC000196648428 347513942 /nfs/dbraw/zinc/51/39/42/347513942.db2.gz WQTKNGJGJOYBFS-WYMLVPIESA-N 0 0 215.372 2.986 10 30 BFEERN C=CC1CCN(C(=O)N[C@H](C)C(C)C)CC1 ZINC000111442346 347575286 /nfs/dbraw/zinc/57/52/86/347575286.db2.gz TUKGLKVQXQGLIQ-LLVKDONJSA-N 0 0 224.348 2.639 10 30 BFEERN Cc1ccccc1[C@H](C#N)N1CCCC1 ZINC000019934093 179332661 /nfs/dbraw/zinc/33/26/61/179332661.db2.gz ZCLUWJIRXJJWLR-ZDUSSCGKSA-N 0 0 200.285 2.656 10 30 BFEERN C=C(Cl)CNc1ccc(CC#N)cc1 ZINC000051601551 349981283 /nfs/dbraw/zinc/98/12/83/349981283.db2.gz DNEJEXBSOQZCJX-UHFFFAOYSA-N 0 0 206.676 2.917 10 30 BFEERN CC[C@H](C)N[C@@]1(C#N)CCCS[C@H]1C ZINC000251348494 362864974 /nfs/dbraw/zinc/86/49/74/362864974.db2.gz LZBGFKLHOPTWBQ-GARJFASQSA-N 0 0 212.362 2.552 10 30 BFEERN Cc1cccnc1Oc1ccc(N)cc1C#N ZINC000051041234 179394536 /nfs/dbraw/zinc/39/45/36/179394536.db2.gz KAPIPZVQORWHTR-UHFFFAOYSA-N 0 0 225.251 2.636 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccncc1Cl ZINC000595688528 348314020 /nfs/dbraw/zinc/31/40/20/348314020.db2.gz FUOHIMBMZXSLGN-GWCFXTLKSA-N 0 0 249.745 2.907 10 30 BFEERN O/N=C1\c2ccccc2CC[C@H]1c1cccnc1 ZINC000216312461 349993792 /nfs/dbraw/zinc/99/37/92/349993792.db2.gz IPCRYAFLOSGRBG-AQTLKONXSA-N 0 0 238.290 2.990 10 30 BFEERN Cc1cc(C#N)cc(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000597145928 348670561 /nfs/dbraw/zinc/67/05/61/348670561.db2.gz DNNJBVFOIKYPCM-CABCVRRESA-N 0 0 242.322 2.846 10 30 BFEERN N#CCc1ccc(N[C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000597084348 348655299 /nfs/dbraw/zinc/65/52/99/348655299.db2.gz SCCJQBRTQIZCNC-LSDHHAIUSA-N 0 0 242.322 2.732 10 30 BFEERN O=CCc1cc(Br)c(Cl)s1 ZINC000227975235 348816591 /nfs/dbraw/zinc/81/65/91/348816591.db2.gz HIVCUNADUGJADE-UHFFFAOYSA-N 0 0 239.521 2.905 10 30 BFEERN COc1ccc(F)cc1C#Cc1cccc(N)c1 ZINC000037547873 348847871 /nfs/dbraw/zinc/84/78/71/348847871.db2.gz RERFIHSUKQKPNT-UHFFFAOYSA-N 0 0 241.265 2.816 10 30 BFEERN C[C@@H](C=O)Sc1ccc(F)c(F)c1 ZINC000616573792 349072982 /nfs/dbraw/zinc/07/29/82/349072982.db2.gz UPXACQWNDBZWJY-LURJTMIESA-N 0 0 202.225 2.644 10 30 BFEERN Cc1cnc([C@H](C)N[C@H]2CCCC[C@H]2C#N)o1 ZINC000300712238 349289728 /nfs/dbraw/zinc/28/97/28/349289728.db2.gz GAVBGBMCNWYPPC-SRVKXCTJSA-N 0 0 233.315 2.716 10 30 BFEERN Cc1c(CS)noc1-c1ccc(F)cn1 ZINC000725253979 538041862 /nfs/dbraw/zinc/04/18/62/538041862.db2.gz WWTLTAIBDIDGNJ-UHFFFAOYSA-N 0 0 224.260 2.614 10 30 BFEERN C[C@]1(c2ccc(F)cc2Cl)O[C@@H]1C#N ZINC000306521024 538044126 /nfs/dbraw/zinc/04/41/26/538044126.db2.gz KLOFTXCGNJWSAX-NXEZZACHSA-N 0 0 211.623 2.617 10 30 BFEERN CC(C)(C)OC(=O)c1cc(N=[N+]=[N-])ccn1 ZINC000384243667 349420775 /nfs/dbraw/zinc/42/07/75/349420775.db2.gz IVLMKVIFWCRPTE-UHFFFAOYSA-N 0 0 220.232 2.979 10 30 BFEERN CC(C)=CC(=O)c1cccc(NC(C)=O)c1 ZINC000071974050 191005016 /nfs/dbraw/zinc/00/50/16/191005016.db2.gz CNEXHVHJPQSEHO-UHFFFAOYSA-N 0 0 217.268 2.794 10 30 BFEERN CC(=O)c1ccc([C@H](C#N)CC2CC2)cn1 ZINC000217348877 350050099 /nfs/dbraw/zinc/05/00/99/350050099.db2.gz QXIZFBPEZLGUMY-LBPRGKRZSA-N 0 0 214.268 2.691 10 30 BFEERN N#C[C@H]1CCSc2ccccc2C1=O ZINC000039402463 350115910 /nfs/dbraw/zinc/11/59/10/350115910.db2.gz HJZCPNXVXIDMNL-MRVPVSSYSA-N 0 0 203.266 2.505 10 30 BFEERN C[NH+]1CCC(C#N)(CCc2ccccc2)CC1 ZINC000219248262 350118413 /nfs/dbraw/zinc/11/84/13/350118413.db2.gz ZKLRWELCQSTUGE-UHFFFAOYSA-N 0 0 228.339 2.855 10 30 BFEERN CCCCC/C=C/CCCOS(C)(=O)=O ZINC000220872294 350189075 /nfs/dbraw/zinc/18/90/75/350189075.db2.gz CXVZLFPVVQXNDX-BQYQJAHWSA-N 0 0 234.361 2.879 10 30 BFEERN C=C(C)CC(=O)[C@H]1COc2ccccc21 ZINC000128793974 350201783 /nfs/dbraw/zinc/20/17/83/350201783.db2.gz SXMVBDYCJLREFI-NSHDSACASA-N 0 0 202.253 2.698 10 30 BFEERN C[C@@H](Oc1cc(F)ccc1N)C(C)(C)C#N ZINC000309225578 350212758 /nfs/dbraw/zinc/21/27/58/350212758.db2.gz TWRVTHTYYJHALV-MRVPVSSYSA-N 0 0 222.263 2.725 10 30 BFEERN CC(C)c1nsc(N[C@H]2CCC[C@H]2C#N)n1 ZINC000309309566 350274156 /nfs/dbraw/zinc/27/41/56/350274156.db2.gz BORHRKNQFOMHII-IUCAKERBSA-N 0 0 236.344 2.766 10 30 BFEERN C=CCCC(=O)c1ccc2c(c1)OCO2 ZINC000038312935 350311970 /nfs/dbraw/zinc/31/19/70/350311970.db2.gz YZKASPJWMUSMGS-UHFFFAOYSA-N 0 0 204.225 2.564 10 30 BFEERN Cc1ncsc1CCOCCCCC#N ZINC000049579515 180311164 /nfs/dbraw/zinc/31/11/64/180311164.db2.gz DEVBOGYGMFBLQC-UHFFFAOYSA-N 0 0 224.329 2.705 10 30 BFEERN Cc1nn(C)c(N[C@@H](C)c2ccsc2)c1C#N ZINC000111350295 180360167 /nfs/dbraw/zinc/36/01/67/180360167.db2.gz YAEABZNMIDLHFE-QMMMGPOBSA-N 0 0 246.339 2.835 10 30 BFEERN Cc1nn(C)c(N(C)[C@@H]2CCCC[C@@H]2C)c1C#N ZINC000104319206 180353021 /nfs/dbraw/zinc/35/30/21/180353021.db2.gz XUVKJIUKZGGGPA-GXFFZTMASA-N 0 0 246.358 2.615 10 30 BFEERN Cc1nn(C)c(Nc2cc(F)ccc2F)c1C#N ZINC000104313712 180359476 /nfs/dbraw/zinc/35/94/76/180359476.db2.gz PPUZDKVFLSWVMA-UHFFFAOYSA-N 0 0 248.236 2.622 10 30 BFEERN Cc1nn(C)c(O[C@@H]2CCCC[C@@H]2C)c1C#N ZINC000104312439 180359891 /nfs/dbraw/zinc/35/98/91/180359891.db2.gz CLACOTXGHPLTOS-JOYOIKCWSA-N 0 0 233.315 2.558 10 30 BFEERN Cc1nn(C)c(Sc2cccs2)c1C#N ZINC000104327019 180361917 /nfs/dbraw/zinc/36/19/17/180361917.db2.gz IGAJRCFSWYRWFX-UHFFFAOYSA-N 0 0 235.337 2.813 10 30 BFEERN C(#Cc1cccs1)CO[C@@H]1CCCCO1 ZINC000034521198 350470020 /nfs/dbraw/zinc/47/00/20/350470020.db2.gz OIJCFMHSGWYGON-GFCCVEGCSA-N 0 0 222.309 2.643 10 30 BFEERN N#Cc1cc(-c2ccc(F)cc2Cl)ncn1 ZINC000409436641 350479814 /nfs/dbraw/zinc/47/98/14/350479814.db2.gz OZYBJPBNKJUJAJ-UHFFFAOYSA-N 0 0 233.633 2.808 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@]12CCC[C@H](C)C2 ZINC000252576961 538094593 /nfs/dbraw/zinc/09/45/93/538094593.db2.gz IPVRIONGKHXBJM-DRZSPHRISA-N 0 0 226.316 2.533 10 30 BFEERN Cc1ccc2[nH]c(SCCC=O)nc2c1 ZINC000062547161 350547772 /nfs/dbraw/zinc/54/77/72/350547772.db2.gz KVDGNDKMKIUECN-UHFFFAOYSA-N 0 0 220.297 2.552 10 30 BFEERN O=C[C@@H]1CCCN(Cc2sccc2Cl)C1 ZINC000306678366 350832716 /nfs/dbraw/zinc/83/27/16/350832716.db2.gz AVLQQOXIMCHTEO-SECBINFHSA-N 0 0 243.759 2.812 10 30 BFEERN C#C[C@@](C)(CC)Oc1ccnc(Cl)c1 ZINC000306706077 350853194 /nfs/dbraw/zinc/85/31/94/350853194.db2.gz LHUJMEFUXUNXOK-NSHDSACASA-N 0 0 209.676 2.916 10 30 BFEERN O=C[C@H]1CC[C@]2(CCCC23CCCC3)O1 ZINC000306709019 350855706 /nfs/dbraw/zinc/85/57/06/350855706.db2.gz OQSAWDZICGDTIM-YPMHNXCESA-N 0 0 208.301 2.847 10 30 BFEERN N#Cc1cc(N)cc(C(F)(F)F)c1Cl ZINC000306715965 350875478 /nfs/dbraw/zinc/87/54/78/350875478.db2.gz FTHHITZLUBPNBL-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN CC(C)[S@](=O)[C@H]1CCCCC[C@H]1C#N ZINC000250573729 350883026 /nfs/dbraw/zinc/88/30/26/350883026.db2.gz MWFGIXSNGLCFII-MJVIPROJSA-N 0 0 213.346 2.616 10 30 BFEERN CC(C)(C)[S@](=O)[C@@H]1CCCC[C@H]1C#N ZINC000250590019 350883213 /nfs/dbraw/zinc/88/32/13/350883213.db2.gz KFGGYJHBFNUVOB-IMSIIYSGSA-N 0 0 213.346 2.616 10 30 BFEERN C[C@@H]1C[C@@H](C)CC2(CC[C@@](C)(C=O)O2)C1 ZINC000306723728 350890282 /nfs/dbraw/zinc/89/02/82/350890282.db2.gz HLYNOOZIPCYLNF-UTUOFQBUSA-N 0 0 210.317 2.949 10 30 BFEERN Cc1ccc(F)cc1[C@@H]1CC[C@@H](C=O)O1 ZINC000306722979 350890879 /nfs/dbraw/zinc/89/08/79/350890879.db2.gz GDRBNIXLNIDWTK-JQWIXIFHSA-N 0 0 208.232 2.553 10 30 BFEERN O=C(C1=COCC1)c1cccc(Cl)c1F ZINC000306728899 350897765 /nfs/dbraw/zinc/89/77/65/350897765.db2.gz NZXQCIWDEMAKFY-UHFFFAOYSA-N 0 0 226.634 2.966 10 30 BFEERN N#Cc1ccc(NCc2cccs2)o1 ZINC000306728973 350897932 /nfs/dbraw/zinc/89/79/32/350897932.db2.gz OBKCHQDOJDBTCZ-UHFFFAOYSA-N 0 0 204.254 2.825 10 30 BFEERN CCCCCCCCC[S@@](=O)CC(=O)OC ZINC000043335353 168651765 /nfs/dbraw/zinc/65/17/65/168651765.db2.gz RPIZDDDUAUZCNQ-INIZCTEOSA-N 0 0 248.388 2.659 10 30 BFEERN C=C[C@H](O)c1csc(Br)c1 ZINC000136965618 351051573 /nfs/dbraw/zinc/05/15/73/351051573.db2.gz WVHNFQUKKYJVQX-LURJTMIESA-N 0 0 219.103 2.730 10 30 BFEERN O=C(C=C1CCCCC1)Cc1csnn1 ZINC000306823670 351130014 /nfs/dbraw/zinc/13/00/14/351130014.db2.gz UFFFZDRJJSRRCP-UHFFFAOYSA-N 0 0 222.313 2.540 10 30 BFEERN CCCc1c(C)nc(N)c(C#N)c1-c1ccc[nH]1 ZINC000034965151 351365885 /nfs/dbraw/zinc/36/58/85/351365885.db2.gz UNYKTSQASJJEEF-UHFFFAOYSA-N 0 0 240.310 2.792 10 30 BFEERN Cc1oc(Br)cc1C(=O)[C@@H](C)C#N ZINC000306934811 351358249 /nfs/dbraw/zinc/35/82/49/351358249.db2.gz GRBKWAFULFBZMK-YFKPBYRVSA-N 0 0 242.072 2.693 10 30 BFEERN Cc1cc(Cl)c(CC#N)c([N+](=O)[O-])c1 ZINC000307037072 351438969 /nfs/dbraw/zinc/43/89/69/351438969.db2.gz ZNZUTNYCAVZRFH-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN N#CCc1cnc(C(F)(F)F)c(Cl)c1 ZINC000307163310 351528653 /nfs/dbraw/zinc/52/86/53/351528653.db2.gz LUHHMRIFNJKXLY-UHFFFAOYSA-N 0 0 220.581 2.820 10 30 BFEERN C[C@@H](CC#N)Nc1cncc(Br)c1 ZINC000300862985 363075739 /nfs/dbraw/zinc/07/57/39/363075739.db2.gz KVSBJYDBPWDKSW-ZETCQYMHSA-N 0 0 240.104 2.558 10 30 BFEERN N#CCc1cnc(Cl)c(C(F)(F)F)c1 ZINC000307190065 351590219 /nfs/dbraw/zinc/59/02/19/351590219.db2.gz WFLMIEDJFSIKTI-UHFFFAOYSA-N 0 0 220.581 2.820 10 30 BFEERN N#CC1CC(OCc2ccc(F)cc2)C1 ZINC000606302827 351556630 /nfs/dbraw/zinc/55/66/30/351556630.db2.gz YPPKQLPRESAABK-UHFFFAOYSA-N 0 0 205.232 2.644 10 30 BFEERN Cc1cc(C)cc(C(=O)C2=COCC2)c1 ZINC000307239410 351729935 /nfs/dbraw/zinc/72/99/35/351729935.db2.gz GMBKWUJAKUWOPU-UHFFFAOYSA-N 0 0 202.253 2.790 10 30 BFEERN C[C@H](C#N)Nc1c(F)cccc1Br ZINC000232125346 351835242 /nfs/dbraw/zinc/83/52/42/351835242.db2.gz BNPBHDJLTIYMOG-ZCFIWIBFSA-N 0 0 243.079 2.912 10 30 BFEERN N#CCCNc1c(F)cccc1Br ZINC000232125983 351836274 /nfs/dbraw/zinc/83/62/74/351836274.db2.gz DMKJFOYJNVIDTO-UHFFFAOYSA-N 0 0 243.079 2.914 10 30 BFEERN C[C@@]1(O)CC(=O)C=C(c2ccc(Cl)cc2)C1 ZINC000040174934 351930213 /nfs/dbraw/zinc/93/02/13/351930213.db2.gz PJCJZCJQUYPMDV-ZDUSSCGKSA-N 0 0 236.698 2.837 10 30 BFEERN Nc1cccc(C(=O)C2=CCCC2)c1F ZINC000307305128 351931947 /nfs/dbraw/zinc/93/19/47/351931947.db2.gz CKAIGBVNLNMXCE-UHFFFAOYSA-N 0 0 205.232 2.701 10 30 BFEERN C[C@@H](C#N)C(=O)c1cscc1Br ZINC000404757803 352047222 /nfs/dbraw/zinc/04/72/22/352047222.db2.gz CMJSGNGUAGIFHJ-YFKPBYRVSA-N 0 0 244.113 2.853 10 30 BFEERN CC(=O)/C=C/[C@]12O[C@@]1(C)CCCC2(C)C ZINC000005159263 187580867 /nfs/dbraw/zinc/58/08/67/187580867.db2.gz ZTJZJYUGOJYHCU-YSDIBMRGSA-N 0 0 208.301 2.869 10 30 endogenous,in-man BFEERN N#CCCCSc1ccc(F)cc1N ZINC000037195227 187587587 /nfs/dbraw/zinc/58/75/87/187587587.db2.gz WPPJPXLOBVRNAD-UHFFFAOYSA-N 0 0 210.277 2.804 10 30 BFEERN N#CCCC(=O)Nc1ccccc1Cl ZINC000049814352 187608716 /nfs/dbraw/zinc/60/87/16/187608716.db2.gz CUYBTTSZWWHQAD-UHFFFAOYSA-N 0 0 208.648 2.582 10 30 BFEERN Cc1cc(Br)c(F)c(CC#N)c1 ZINC000075925819 187618274 /nfs/dbraw/zinc/61/82/74/187618274.db2.gz FDSNGKHPGJTMSY-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN CCc1ccc(C#N)c(Br)c1 ZINC000091306037 187626385 /nfs/dbraw/zinc/62/63/85/187626385.db2.gz ABQVGEQFWXVFNU-UHFFFAOYSA-N 0 0 210.074 2.883 10 30 BFEERN C=C(C)[C@H]1Cc2cc(C(C)=O)ccc2O1 ZINC000004097838 187648614 /nfs/dbraw/zinc/64/86/14/187648614.db2.gz UVYUUQGGBNKRFU-CYBMUJFWSA-N 0 0 202.253 2.769 10 30 biogenic,in-vitro BFEERN C[C@@H]1CC[C@@](C=O)(Cc2cscn2)C1 ZINC000307374705 352471991 /nfs/dbraw/zinc/47/19/91/352471991.db2.gz YEAOXFGLCQNJEY-KOLCDFICSA-N 0 0 209.314 2.691 10 30 BFEERN C#CC(=O)c1cc(F)ccc1C(F)(F)F ZINC000163848292 352552602 /nfs/dbraw/zinc/55/26/02/352552602.db2.gz CXYOOOHFROZWIO-UHFFFAOYSA-N 0 0 216.133 2.660 10 30 BFEERN C=C(C(=O)c1csc(C)n1)C(F)(F)F ZINC000307426713 352593192 /nfs/dbraw/zinc/59/31/92/352593192.db2.gz XYJISACBUBZXML-UHFFFAOYSA-N 0 0 221.203 2.753 10 30 BFEERN C[C@@H](C(=O)C1=COCC1)c1ccccc1 ZINC000307463384 352612129 /nfs/dbraw/zinc/61/21/29/352612129.db2.gz HGOXWYMFZYFKFR-SNVBAGLBSA-N 0 0 202.253 2.663 10 30 BFEERN CN[C@H](C#N)c1cc(Cl)sc1Cl ZINC000307470114 352617569 /nfs/dbraw/zinc/61/75/69/352617569.db2.gz UXUSTJWBJFTBOM-RXMQYKEDSA-N 0 0 221.112 2.839 10 30 BFEERN Cc1ccc([C@]2(C)CCC[C@@H](C=O)O2)o1 ZINC000307563772 352652783 /nfs/dbraw/zinc/65/27/83/352652783.db2.gz XVKMYHYGFRDLGJ-JQWIXIFHSA-N 0 0 208.257 2.571 10 30 BFEERN C=C[C@H](C)Nc1nc(Br)cs1 ZINC000229241875 352669302 /nfs/dbraw/zinc/66/93/02/352669302.db2.gz SNJOXXLMUDBVSG-YFKPBYRVSA-N 0 0 233.134 2.892 10 30 BFEERN O=C[C@@H]1CCC(C2CCC2)(C2CCC2)O1 ZINC000307645089 352737705 /nfs/dbraw/zinc/73/77/05/352737705.db2.gz WVOXZNUSIFFGCG-LBPRGKRZSA-N 0 0 208.301 2.703 10 30 BFEERN Cc1cc(C2=CCCCC2=O)cc(C)n1 ZINC000307679649 352754492 /nfs/dbraw/zinc/75/44/92/352754492.db2.gz RTBRKQWXJLNAOE-UHFFFAOYSA-N 0 0 201.269 2.835 10 30 BFEERN C=CCNC(=O)/C=C\c1ccc(C)c(Cl)c1 ZINC000095936588 166361127 /nfs/dbraw/zinc/36/11/27/166361127.db2.gz YMQMFTWORKIOCX-SREVYHEPSA-N 0 0 235.714 2.964 10 30 BFEERN O=CC1(CC2(O)CCCCC2)CCCC1 ZINC000306350070 353006708 /nfs/dbraw/zinc/00/67/08/353006708.db2.gz VCSHEZMVUXBHDI-UHFFFAOYSA-N 0 0 210.317 2.831 10 30 BFEERN N#CCCn1nc(-c2ccc(Cl)cc2)cc1N ZINC000037295051 187939838 /nfs/dbraw/zinc/93/98/38/187939838.db2.gz IUKIAHLMNRNBLJ-UHFFFAOYSA-N 0 0 246.701 2.699 10 30 BFEERN Cc1ccc(Cl)c([N+](=O)[O-])c1CC#N ZINC000307436562 353076866 /nfs/dbraw/zinc/07/68/66/353076866.db2.gz PNOPZGPRUFVHDR-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN N#CCCCCOCCCc1ccncc1 ZINC000049579578 187952543 /nfs/dbraw/zinc/95/25/43/187952543.db2.gz WKIVRADCEZEAAR-UHFFFAOYSA-N 0 0 218.300 2.725 10 30 BFEERN C=CC(=O)c1cc(Br)oc1C ZINC000306862416 353042616 /nfs/dbraw/zinc/04/26/16/353042616.db2.gz IMRXTHDEXIYOLI-UHFFFAOYSA-N 0 0 215.046 2.719 10 30 BFEERN C#CC(C)(C)Nc1cccc(Br)n1 ZINC000229304135 353043121 /nfs/dbraw/zinc/04/31/21/353043121.db2.gz RDZRETLNSXQHGR-UHFFFAOYSA-N 0 0 239.116 2.668 10 30 BFEERN C=C(C)C(=O)c1coc(Br)c1 ZINC000307723713 353111775 /nfs/dbraw/zinc/11/17/75/353111775.db2.gz VYZUZPLJWFXKKI-UHFFFAOYSA-N 0 0 215.046 2.801 10 30 BFEERN CCc1ccc([C@@H]2CC[C@@](C)(C=O)O2)o1 ZINC000307574492 353085062 /nfs/dbraw/zinc/08/50/62/353085062.db2.gz HHZFZSBONSFGOI-RYUDHWBXSA-N 0 0 208.257 2.651 10 30 BFEERN CC#CCN[C@@H](c1ccccc1)c1ccncc1 ZINC000051663238 188046509 /nfs/dbraw/zinc/04/65/09/188046509.db2.gz MHGXPUAJCWICHD-INIZCTEOSA-N 0 0 236.318 2.784 10 30 BFEERN N#Cc1cc(F)cc(C#Cc2csc(F)n2)c1 ZINC000066078097 188050671 /nfs/dbraw/zinc/05/06/71/188050671.db2.gz LVXAMCKZCLWWTF-UHFFFAOYSA-N 0 0 246.241 2.693 10 30 BFEERN C=C1[C@H]2C[C@H]2[C@]2(C)C=C3OC(=O)C(C)=C3C[C@@H]12 ZINC000005706823 188051663 /nfs/dbraw/zinc/05/16/63/188051663.db2.gz OVEQSZKTJIUNHZ-JDTTZNEISA-N 0 0 228.291 2.976 10 30 biogenic,in-vitro BFEERN C=C[C@](C)(CC[C@H]1O[C@@]1(C)CC)OC(C)=O ZINC000005955020 188051730 /nfs/dbraw/zinc/05/17/30/188051730.db2.gz ZQIIAKHOIHRGSM-UPJWGTAASA-N 0 0 226.316 2.842 10 30 BFEERN CC1(C)CC[C@]2(O[C@H]2C#N)c2ccccc21 ZINC000309419637 538112110 /nfs/dbraw/zinc/11/21/10/538112110.db2.gz BNOLMVKILUWWHP-JSGCOSHPSA-N 0 0 213.280 2.876 10 30 BFEERN CNc1ccc(C#Cc2ccc(O)cc2)cc1 ZINC000028642775 188233332 /nfs/dbraw/zinc/23/33/32/188233332.db2.gz OAPVMXXRLKLWBL-UHFFFAOYSA-N 0 0 223.275 2.834 10 30 BFEERN CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H]1CO1 ZINC000034651050 188271133 /nfs/dbraw/zinc/27/11/33/188271133.db2.gz IZZBZFTTXPTJDE-YVECIDJPSA-N 0 0 212.333 2.863 10 30 BFEERN C/C(=N\O)c1cccc(NC(=O)c2ccoc2)c1 ZINC000019476750 188280777 /nfs/dbraw/zinc/28/07/77/188280777.db2.gz DEVXKRCVXOUNDI-OQLLNIDSSA-N 0 0 244.250 2.730 10 30 BFEERN N#CCCN[C@H]1CCSc2c(F)cccc21 ZINC000035048095 188285070 /nfs/dbraw/zinc/28/50/70/188285070.db2.gz JBMIMIAMUJYXGU-NSHDSACASA-N 0 0 236.315 2.866 10 30 BFEERN N#Cc1cccc([C@H](C#N)NC2CCCC2)c1 ZINC000037968449 188289522 /nfs/dbraw/zinc/28/95/22/188289522.db2.gz PTHFQXNXNUBHSC-AWEZNQCLSA-N 0 0 225.295 2.655 10 30 BFEERN N#Cc1cc(Sc2ccccn2)ccc1N ZINC000039248633 188291029 /nfs/dbraw/zinc/29/10/29/188291029.db2.gz QDGXQNQQCMZDBM-UHFFFAOYSA-N 0 0 227.292 2.687 10 30 BFEERN CC(C)N(CCC#N)c1ncnc2ccsc21 ZINC000042530897 188293318 /nfs/dbraw/zinc/29/33/18/188293318.db2.gz DJMDUPHMYDFMSA-UHFFFAOYSA-N 0 0 246.339 2.820 10 30 BFEERN COc1ccc([C@]2(C#N)CCCC(=O)C2)cc1 ZINC000082296106 188293716 /nfs/dbraw/zinc/29/37/16/188293716.db2.gz NJTZBJVHCPYTRQ-CQSZACIVSA-N 0 0 229.279 2.600 10 30 BFEERN CC(C)N(CC1CC1)c1ccc(N)cc1C#N ZINC000042579680 188293815 /nfs/dbraw/zinc/29/38/15/188293815.db2.gz ZEGICYBYTIEDQM-UHFFFAOYSA-N 0 0 229.327 2.765 10 30 BFEERN CCC[C@@H](C#N)C(=O)N(CC1CC1)C(C)C ZINC000044826725 188296180 /nfs/dbraw/zinc/29/61/80/188296180.db2.gz RCHULZRDXAQQLG-LBPRGKRZSA-N 0 0 222.332 2.573 10 30 BFEERN CC(C)[C@H](C#N)C(=O)Nc1ccc(F)cc1 ZINC000044810974 188296672 /nfs/dbraw/zinc/29/66/72/188296672.db2.gz XIPOGYLYHQIXAX-NSHDSACASA-N 0 0 220.247 2.560 10 30 BFEERN C=CC(=O)c1ccc(OC)c(Br)c1 ZINC000071550380 188306322 /nfs/dbraw/zinc/30/63/22/188306322.db2.gz AZDOWECEKMNKKE-UHFFFAOYSA-N 0 0 241.084 2.826 10 30 BFEERN CCCn1cc(C#N)c(=O)c2cc(F)cc(C)c21 ZINC000072237074 188307237 /nfs/dbraw/zinc/30/72/37/188307237.db2.gz GIRQEDVNOOKJBL-UHFFFAOYSA-N 0 0 244.269 2.731 10 30 BFEERN C=CCOc1cccc(NC(=O)N[C@H]2C[C@H]2C)c1 ZINC000076035576 353331226 /nfs/dbraw/zinc/33/12/26/353331226.db2.gz IYDHGRPPLBOORR-MFKMUULPSA-N 0 0 246.310 2.781 10 30 BFEERN N#CCC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000129499816 353320010 /nfs/dbraw/zinc/32/00/10/353320010.db2.gz MMEIIJLQBPDEBZ-SFYZADRCSA-N 0 0 219.206 2.838 10 30 BFEERN C#C[C@](CC)(OCOC)c1ccccc1 ZINC000222922833 188319414 /nfs/dbraw/zinc/31/94/14/188319414.db2.gz ZBJGXOLSTBEJLJ-CYBMUJFWSA-N 0 0 204.269 2.546 10 30 BFEERN CC(C)N(CCC#N)C(=O)[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000042530513 188324379 /nfs/dbraw/zinc/32/43/79/188324379.db2.gz YKNUHRRISCTYJJ-XQQFMLRXSA-N 0 0 234.343 2.573 10 30 BFEERN C[C@@H]1CNc2c(C#N)c3ccccc3n2C1 ZINC000003160830 188336089 /nfs/dbraw/zinc/33/60/89/188336089.db2.gz PTOUSKGRBKVPEH-SECBINFHSA-N 0 0 211.268 2.575 10 30 BFEERN CC/C=C/C(=O)[C@@H]1CCOC2(CCC2)C1 ZINC000232796355 353484810 /nfs/dbraw/zinc/48/48/10/353484810.db2.gz TYFKBHHXZSKHHU-JOAKQRRISA-N 0 0 208.301 2.871 10 30 BFEERN C=C(Cl)Cc1cccc(OC)c1OC ZINC000043208781 188397293 /nfs/dbraw/zinc/39/72/93/188397293.db2.gz LTTWZELVKUBIBE-UHFFFAOYSA-N 0 0 212.676 2.999 10 30 BFEERN CCC1(C(=O)N[C@@H]2CCC[C@@H]2C#N)CCCC1 ZINC000094901779 353518478 /nfs/dbraw/zinc/51/84/78/353518478.db2.gz NNUAKTOKPUTRSW-VXGBXAGGSA-N 0 0 234.343 2.765 10 30 BFEERN C=CCc1c(OC)ccc2ccc(=O)oc21 ZINC000000384419 188407172 /nfs/dbraw/zinc/40/71/72/188407172.db2.gz GSJJPFOIZRCDPP-UHFFFAOYSA-N 0 0 216.236 2.530 10 30 BFEERN C#CCC(C)(C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000184358597 353648300 /nfs/dbraw/zinc/64/83/00/353648300.db2.gz FVXBSLNZGOKQAQ-NSHDSACASA-N 0 0 233.311 2.815 10 30 BFEERN N#CC1([C@H](O)c2ncc(Cl)s2)CCC1 ZINC000223307904 353753525 /nfs/dbraw/zinc/75/35/25/353753525.db2.gz VQGIRAURMWCVLF-SSDOTTSWSA-N 0 0 228.704 2.524 10 30 BFEERN C#CC[N@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000195383015 353757989 /nfs/dbraw/zinc/75/79/89/353757989.db2.gz IHYDDUVPHSUCEV-NSHDSACASA-N 0 0 234.368 2.518 10 30 BFEERN CC1CCC(N(C)C2=CC(=O)CC2)CC1 ZINC000160215017 353737350 /nfs/dbraw/zinc/73/73/50/353737350.db2.gz RFFZYZKLBINOAA-UHFFFAOYSA-N 0 0 207.317 2.744 10 30 BFEERN N#CC1(c2ccc3c(c2)OCO3)CCCC1 ZINC000034940496 181031913 /nfs/dbraw/zinc/03/19/13/181031913.db2.gz NVZCRYBBCPNMEQ-UHFFFAOYSA-N 0 0 215.252 2.751 10 30 BFEERN C#CC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 ZINC000405559210 353867812 /nfs/dbraw/zinc/86/78/12/353867812.db2.gz DLFITRBSFPGSON-UHFFFAOYSA-N 0 0 245.278 2.850 10 30 BFEERN C[Si](C)(C)C#Cc1ccc(Cl)cn1 ZINC000195940850 353851443 /nfs/dbraw/zinc/85/14/43/353851443.db2.gz MDXUUWIEIGOYPD-UHFFFAOYSA-N 0 0 209.752 2.964 10 30 BFEERN CC1(C)C[C@H]1c1noc(-c2ccnc(C#N)c2)n1 ZINC000232870887 353930552 /nfs/dbraw/zinc/93/05/52/353930552.db2.gz KVGODGPFVIPRPA-JTQLQIEISA-N 0 0 240.266 2.517 10 30 BFEERN N#CCCN(C(=O)c1ccccc1Cl)C1CC1 ZINC000042359373 181037156 /nfs/dbraw/zinc/03/71/56/181037156.db2.gz ULTHBMHJBIJBKD-UHFFFAOYSA-N 0 0 248.713 2.858 10 30 BFEERN N#CCCN(C(=O)c1ccc(Cl)cc1)C1CC1 ZINC000042359388 181037427 /nfs/dbraw/zinc/03/74/27/181037427.db2.gz CKLYTIZGQUPYBG-UHFFFAOYSA-N 0 0 248.713 2.858 10 30 BFEERN N#CCCN(C(=O)c1cccc(Cl)c1)C1CC1 ZINC000042359433 181037435 /nfs/dbraw/zinc/03/74/35/181037435.db2.gz KSDAPONUOAHCDK-UHFFFAOYSA-N 0 0 248.713 2.858 10 30 BFEERN N#CCc1c(F)c(F)ccc1Br ZINC000075898785 181047466 /nfs/dbraw/zinc/04/74/66/181047466.db2.gz FLFVGCCMEOSUQN-UHFFFAOYSA-N 0 0 232.027 2.793 10 30 BFEERN C#C[C@H](C)Oc1ncnc(Cl)c1C(C)C ZINC000232875313 353978804 /nfs/dbraw/zinc/97/88/04/353978804.db2.gz GTFJZBSIRFNPCS-QMMMGPOBSA-N 0 0 224.691 2.654 10 30 BFEERN N#CC[C@H]1CNc2c1cccc2Br ZINC000071487071 181046531 /nfs/dbraw/zinc/04/65/31/181046531.db2.gz VQFVIQCYDIPNLP-ZETCQYMHSA-N 0 0 237.100 2.872 10 30 BFEERN N#C[C@@H](Cc1ccccc1)N1CCCCC1 ZINC000034541989 181055546 /nfs/dbraw/zinc/05/55/46/181055546.db2.gz IUJJDQLTJSFFCD-CQSZACIVSA-N 0 0 214.312 2.607 10 30 BFEERN N#C[C@@H](N)CSc1cc(Cl)ccc1Cl ZINC000045363524 181056546 /nfs/dbraw/zinc/05/65/46/181056546.db2.gz BACGQWKCRDQZQB-SSDOTTSWSA-N 0 0 247.150 2.936 10 30 BFEERN N#C[C@@H](NCc1cccs1)c1cccc(O)c1 ZINC000037939667 181057485 /nfs/dbraw/zinc/05/74/85/181057485.db2.gz HXIRBFLDZSPCJI-CYBMUJFWSA-N 0 0 244.319 2.808 10 30 BFEERN N#C[C@@H](N)COc1ccc(-c2ccccc2)cc1 ZINC000019665997 181056679 /nfs/dbraw/zinc/05/66/79/181056679.db2.gz VLOFOWXJUAUJST-CQSZACIVSA-N 0 0 238.290 2.583 10 30 BFEERN N#CCc1ccc(Br)c2[nH]ccc21 ZINC000089204583 181048190 /nfs/dbraw/zinc/04/81/90/181048190.db2.gz IOZSEFCSGZHIFL-UHFFFAOYSA-N 0 0 235.084 2.996 10 30 BFEERN N#CCc1ccc(N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000054829168 181048683 /nfs/dbraw/zinc/04/86/83/181048683.db2.gz XWZBBARTUOZFCC-TZMCWYRMSA-N 0 0 225.295 2.857 10 30 BFEERN N#C[C@H](Cc1ccccc1)NCc1cccs1 ZINC000037939587 181063368 /nfs/dbraw/zinc/06/33/68/181063368.db2.gz SGONPEWOJMSKLT-ZDUSSCGKSA-N 0 0 242.347 2.973 10 30 BFEERN N#C[C@H](N)CCSc1ccc2c(c1)CCC2 ZINC000062456282 181064771 /nfs/dbraw/zinc/06/47/71/181064771.db2.gz NFBPCQFORHACOY-GFCCVEGCSA-N 0 0 232.352 2.508 10 30 BFEERN N#C[C@H](NC1CC1)c1c(F)cccc1Cl ZINC000020175221 181064777 /nfs/dbraw/zinc/06/47/77/181064777.db2.gz JLDQQUYIWZUAIP-JTQLQIEISA-N 0 0 224.666 2.796 10 30 BFEERN N#C[C@H](N)CSc1cc(Cl)ccc1Cl ZINC000045363526 181064803 /nfs/dbraw/zinc/06/48/03/181064803.db2.gz BACGQWKCRDQZQB-ZETCQYMHSA-N 0 0 247.150 2.936 10 30 BFEERN N#C[C@H](NC(=O)C1CCCCC1)c1ccccc1 ZINC000040215151 181065175 /nfs/dbraw/zinc/06/51/75/181065175.db2.gz KBADEOGNPNLVLE-AWEZNQCLSA-N 0 0 242.322 2.948 10 30 BFEERN N#C[C@H](NCC(F)(F)F)c1ccccc1F ZINC000037971135 181065775 /nfs/dbraw/zinc/06/57/75/181065775.db2.gz OPQQFSFIJGZOOB-VIFPVBQESA-N 0 0 232.180 2.542 10 30 BFEERN N#C[C@H](NCC1CC1)c1ccc(F)cc1F ZINC000037946808 181066115 /nfs/dbraw/zinc/06/61/15/181066115.db2.gz PBKLITPGKLFUCP-LBPRGKRZSA-N 0 0 222.238 2.529 10 30 BFEERN N#C[C@H](NC1CCCC1)c1ccc2c(c1)OCO2 ZINC000020175728 181066172 /nfs/dbraw/zinc/06/61/72/181066172.db2.gz UGIJOPYWVISAGJ-LBPRGKRZSA-N 0 0 244.294 2.512 10 30 BFEERN N#C[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000032012670 181066573 /nfs/dbraw/zinc/06/65/73/181066573.db2.gz JZKCOKBJEDCZGK-GFCCVEGCSA-N 0 0 212.227 2.876 10 30 BFEERN N#C[C@H](C(=O)c1ccoc1)c1ccccc1F ZINC000049671663 181062356 /nfs/dbraw/zinc/06/23/56/181062356.db2.gz WOZGDMZTESIRLG-NSHDSACASA-N 0 0 229.210 2.909 10 30 BFEERN N#Cc1c(Cl)cccc1OC(F)F ZINC000089064421 181073755 /nfs/dbraw/zinc/07/37/55/181073755.db2.gz CBJABZZZPSRPOO-UHFFFAOYSA-N 0 0 203.575 2.813 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1 ZINC000061889328 181069158 /nfs/dbraw/zinc/06/91/58/181069158.db2.gz PHBIUSBTFWOIFB-PWSUYJOCSA-N 0 0 229.283 2.500 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1cccs1 ZINC000054824865 181070054 /nfs/dbraw/zinc/07/00/54/181070054.db2.gz OQSYQWYDEPOKMF-MWLCHTKSSA-N 0 0 206.314 2.530 10 30 BFEERN N#Cc1cc(-c2cccs2)nc(Cl)n1 ZINC000032014133 181081854 /nfs/dbraw/zinc/08/18/54/181081854.db2.gz CTTGHZHZHOXSCO-UHFFFAOYSA-N 0 0 221.672 2.730 10 30 BFEERN N#Cc1c[nH]c(=O)cc1-c1ccc(Cl)cc1 ZINC000090562805 181079409 /nfs/dbraw/zinc/07/94/09/181079409.db2.gz HAIFQNJMMFCLNN-UHFFFAOYSA-N 0 0 230.654 2.567 10 30 BFEERN O=C(C#Cc1ccccc1)Cc1cccs1 ZINC000390229116 354181961 /nfs/dbraw/zinc/18/19/61/354181961.db2.gz CEVSFXZDXQOHAS-UHFFFAOYSA-N 0 0 226.300 2.911 10 30 BFEERN N#Cc1cc(C(F)(F)F)ncc1OC1CC1 ZINC000095735013 181084583 /nfs/dbraw/zinc/08/45/83/181084583.db2.gz LHGPMCWSOXWCSM-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN N#Cc1cc(Cl)ccc1NCc1cn[nH]c1 ZINC000052857349 181086711 /nfs/dbraw/zinc/08/67/11/181086711.db2.gz IPWASRCYXFEICZ-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN N#Cc1ccc(-c2ccc(O)c(O)c2)s1 ZINC000040379044 181094727 /nfs/dbraw/zinc/09/47/27/181094727.db2.gz OOWGQDVBFJHMCJ-UHFFFAOYSA-N 0 0 217.249 2.698 10 30 BFEERN N#Cc1ccc(-c2ccc(C=O)cc2)cc1O ZINC000065341314 181095486 /nfs/dbraw/zinc/09/54/86/181095486.db2.gz WRCOJHTVRLJSIX-UHFFFAOYSA-N 0 0 223.231 2.743 10 30 BFEERN N#Cc1cc(N)ccc1OCc1ccsc1 ZINC000040887572 181088926 /nfs/dbraw/zinc/08/89/26/181088926.db2.gz IIKLIRCBXHTBGF-UHFFFAOYSA-N 0 0 230.292 2.781 10 30 BFEERN N#Cc1cc(N)ccc1Sc1ccccn1 ZINC000041021701 181089128 /nfs/dbraw/zinc/08/91/28/181089128.db2.gz YBRDQBDUBCWUDA-UHFFFAOYSA-N 0 0 227.292 2.687 10 30 BFEERN N#Cc1cc(N)ccc1Sc1nccs1 ZINC000041021828 181089691 /nfs/dbraw/zinc/08/96/91/181089691.db2.gz VKMRAPFKBQBUED-UHFFFAOYSA-N 0 0 233.321 2.748 10 30 BFEERN N#Cc1cc(N)cnc1Sc1ccc(F)cc1 ZINC000037759411 181090058 /nfs/dbraw/zinc/09/00/58/181090058.db2.gz KEIAOVJSDLWSNY-UHFFFAOYSA-N 0 0 245.282 2.826 10 30 BFEERN N#Cc1cc(O)cc(-c2ccccc2O)c1 ZINC000065341289 181091615 /nfs/dbraw/zinc/09/16/15/181091615.db2.gz ZCDCTJUZTCDBEP-UHFFFAOYSA-N 0 0 211.220 2.636 10 30 BFEERN N#Cc1ccc(CN[C@H]2CCCC[C@@H]2C#N)cc1 ZINC000054825634 181110192 /nfs/dbraw/zinc/11/01/92/181110192.db2.gz LLCHSJSTEGGLAP-CABCVRRESA-N 0 0 239.322 2.730 10 30 BFEERN N#Cc1ccc(COc2ccc(N)cc2)c(F)c1 ZINC000019268056 181110761 /nfs/dbraw/zinc/11/07/61/181110761.db2.gz KLISNPGMRDRDAI-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#Cc1ccc(COc2ccc(F)cc2N)cc1 ZINC000052064725 181110940 /nfs/dbraw/zinc/11/09/40/181110940.db2.gz QORJVZMPCNIDHU-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#Cc1ccc(F)c(Cn2cccc2)c1 ZINC000104298170 181113705 /nfs/dbraw/zinc/11/37/05/181113705.db2.gz WXWBXFMDXOGYNW-UHFFFAOYSA-N 0 0 200.216 2.547 10 30 BFEERN N#Cc1ccc(N(Cc2ccco2)C2CC2)nc1 ZINC000045026415 181114344 /nfs/dbraw/zinc/11/43/44/181114344.db2.gz SPDQCVVVNOHRRU-UHFFFAOYSA-N 0 0 239.278 2.715 10 30 BFEERN N#Cc1ccc(NC[C@@H](O)C2CCCC2)c(F)c1 ZINC000301257042 181122874 /nfs/dbraw/zinc/12/28/74/181122874.db2.gz BSAOMKCMYBNSIZ-CQSZACIVSA-N 0 0 248.301 2.660 10 30 BFEERN N#Cc1ccc(NCc2ccc(O)c(O)c2)cc1 ZINC000019950866 181123546 /nfs/dbraw/zinc/12/35/46/181123546.db2.gz WRACVKUMFLMKCA-UHFFFAOYSA-N 0 0 240.262 2.582 10 30 BFEERN N#Cc1ccc(NCc2cccc(N)c2)cc1 ZINC000052926030 181123605 /nfs/dbraw/zinc/12/36/05/181123605.db2.gz PPYDTDYIYYICFY-UHFFFAOYSA-N 0 0 223.279 2.753 10 30 BFEERN N#Cc1ccc(N[C@@H]2CCCCC[C@H]2O)cc1 ZINC000037880576 181124428 /nfs/dbraw/zinc/12/44/28/181124428.db2.gz SUNXAQZBIBTCFC-ZIAGYGMSSA-N 0 0 230.311 2.664 10 30 BFEERN N#Cc1ccc(Nc2ccc(F)c(F)c2)nc1 ZINC000019422830 181126873 /nfs/dbraw/zinc/12/68/73/181126873.db2.gz QIUJVDPUBBMQNR-UHFFFAOYSA-N 0 0 231.205 2.975 10 30 BFEERN N#Cc1cccc(N2Cc3ccccc3C2=N)c1 ZINC000020078849 181140396 /nfs/dbraw/zinc/14/03/96/181140396.db2.gz NRVQIEJENFVLII-UHFFFAOYSA-N 0 0 233.274 2.904 10 30 BFEERN N#Cc1ccccc1CN1CCc2ccc(N)cc21 ZINC000019875150 181145961 /nfs/dbraw/zinc/14/59/61/181145961.db2.gz DKKMMYWMXFPLLY-UHFFFAOYSA-N 0 0 249.317 2.703 10 30 BFEERN N#Cc1ccccc1CNCc1ccc(F)cc1 ZINC000020052312 181145973 /nfs/dbraw/zinc/14/59/73/181145973.db2.gz XUCSEZCOUHTHKC-UHFFFAOYSA-N 0 0 240.281 2.987 10 30 BFEERN N#Cc1ccccc1-c1nc2cccnc2o1 ZINC000013208926 181144243 /nfs/dbraw/zinc/14/42/43/181144243.db2.gz XBXRFKHLHRVQBL-UHFFFAOYSA-N 0 0 221.219 2.761 10 30 BFEERN N#Cc1cccc2sc(Br)nc21 ZINC000095932299 181144448 /nfs/dbraw/zinc/14/44/48/181144448.db2.gz BMLGDVYCCIFKIT-UHFFFAOYSA-N 0 0 239.097 2.930 10 30 BFEERN N#Cc1ccccc1NCCC(F)(F)F ZINC000063100681 181148466 /nfs/dbraw/zinc/14/84/66/181148466.db2.gz APHJYNOBRPQQTL-UHFFFAOYSA-N 0 0 214.190 2.923 10 30 BFEERN N#Cc1ccccc1OCc1ccccc1N ZINC000019389249 181150054 /nfs/dbraw/zinc/15/00/54/181150054.db2.gz OGYPOGRHTBBBBC-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN N#Cc1ccccc1Oc1ccc(Cl)nn1 ZINC000037977888 181150182 /nfs/dbraw/zinc/15/01/82/181150182.db2.gz WXRNGXJLYASQPA-UHFFFAOYSA-N 0 0 231.642 2.794 10 30 BFEERN N#Cc1cccnc1N1CC[C@@H]2CCCC[C@H]21 ZINC000229105056 181152169 /nfs/dbraw/zinc/15/21/69/181152169.db2.gz DSMHDULLSQVDKR-WCQYABFASA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1cccnc1N1C[C@H]2CCCCC[C@H]21 ZINC000365878241 181151908 /nfs/dbraw/zinc/15/19/08/181151908.db2.gz BPTSSBGDSJPQKM-CHWSQXEVSA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1ccnc(N2CCc3ccccc32)c1 ZINC000019437731 181155865 /nfs/dbraw/zinc/15/58/65/181155865.db2.gz GVAUKDCXMPGOOJ-UHFFFAOYSA-N 0 0 221.263 2.647 10 30 BFEERN CC1(NC(=O)N[C@@H]2CCC[C@H]2C#N)CCCCC1 ZINC000335155268 354865776 /nfs/dbraw/zinc/86/57/76/354865776.db2.gz MLUCHTASROJSOT-NWDGAFQWSA-N 0 0 249.358 2.701 10 30 BFEERN N#C[C@H]1CCCC[C@H]1NCc1cccc(O)c1 ZINC000383683697 354890052 /nfs/dbraw/zinc/89/00/52/354890052.db2.gz CVUDHBIJDMTPTP-TZMCWYRMSA-N 0 0 230.311 2.564 10 30 BFEERN N#Cc1ccnc(Nc2cc(N)ccc2Cl)c1 ZINC000038033816 181157977 /nfs/dbraw/zinc/15/79/77/181157977.db2.gz MBYFDLQWMPXFEB-UHFFFAOYSA-N 0 0 244.685 2.932 10 30 BFEERN N#Cc1ccnc(Oc2cc(F)c(N)cc2F)c1 ZINC000104133907 181158465 /nfs/dbraw/zinc/15/84/65/181158465.db2.gz DURBUGCFSWOPTA-UHFFFAOYSA-N 0 0 247.204 2.606 10 30 BFEERN N#Cc1ccsc1NCc1ccco1 ZINC000083344178 181161893 /nfs/dbraw/zinc/16/18/93/181161893.db2.gz LKRPZMZOBGZLOA-UHFFFAOYSA-N 0 0 204.254 2.825 10 30 BFEERN N#Cc1ccncc1SC(F)(F)F ZINC000091252748 181160540 /nfs/dbraw/zinc/16/05/40/181160540.db2.gz XRFUYCPWCNLEGR-UHFFFAOYSA-N 0 0 204.176 2.565 10 30 BFEERN N#Cc1conc1-c1cccc(Cl)c1 ZINC000071509213 181165423 /nfs/dbraw/zinc/16/54/23/181165423.db2.gz BUCRJWYEVLPJPO-UHFFFAOYSA-N 0 0 204.616 2.867 10 30 BFEERN N#Cc1conc1-c1ccccc1Br ZINC000071563925 181165630 /nfs/dbraw/zinc/16/56/30/181165630.db2.gz ZNWUTZQRZCGFRP-UHFFFAOYSA-N 0 0 249.067 2.976 10 30 BFEERN N#Cc1ncc(Cl)c(Cl)c1Cl ZINC000000139442 181170865 /nfs/dbraw/zinc/17/08/65/181170865.db2.gz UBUTVAIAQCVVBX-UHFFFAOYSA-N 0 0 207.447 2.913 10 30 BFEERN N#Cc1nccc(C(F)(F)F)c1OC1CC1 ZINC000095736562 181170892 /nfs/dbraw/zinc/17/08/92/181170892.db2.gz MOWYRQXSTFAXLN-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN N#Cc1nc(-c2cccc(F)c2)cs1 ZINC000075847117 181166735 /nfs/dbraw/zinc/16/67/35/181166735.db2.gz PHLUKILFSCQDHN-UHFFFAOYSA-N 0 0 204.229 2.821 10 30 BFEERN N#Cc1sc(-c2ccsc2)cc1N ZINC000044273376 181177149 /nfs/dbraw/zinc/17/71/49/181177149.db2.gz HWAPZAYVGSHEKK-UHFFFAOYSA-N 0 0 206.295 2.930 10 30 BFEERN N/C(=N\O)c1ccccc1Oc1ccccc1 ZINC000020076285 181181232 /nfs/dbraw/zinc/18/12/32/181181232.db2.gz QSEUEFLGRGFZSU-UHFFFAOYSA-N 0 0 228.251 2.573 10 30 BFEERN CN(C1=CC(=O)CC1)c1ccccc1F ZINC000160233029 355354831 /nfs/dbraw/zinc/35/48/31/355354831.db2.gz VOJIGWDSUGGSFU-UHFFFAOYSA-N 0 0 205.232 2.509 10 30 BFEERN C=CCCC(=O)N(C)CCOc1ccc(C)cc1 ZINC000102222238 355356529 /nfs/dbraw/zinc/35/65/29/355356529.db2.gz FBNMHSDIYPURDY-UHFFFAOYSA-N 0 0 247.338 2.798 10 30 BFEERN Cc1cc(Cl)c(C#N)c(C(F)(F)F)n1 ZINC000223388712 355834981 /nfs/dbraw/zinc/83/49/81/355834981.db2.gz TVQOXNZCWWIATO-UHFFFAOYSA-N 0 0 220.581 2.934 10 30 BFEERN C[C@@H](Nc1ccc(C#N)cn1)c1ccncc1 ZINC000035126471 355836222 /nfs/dbraw/zinc/83/62/22/355836222.db2.gz MRWDNMUCPCOLFY-SNVBAGLBSA-N 0 0 224.267 2.521 10 30 BFEERN C#CCc1ccc(OCc2ccccc2)cn1 ZINC000095762412 191911919 /nfs/dbraw/zinc/91/19/19/191911919.db2.gz VWJFKRJGODKNIE-UHFFFAOYSA-N 0 0 223.275 2.836 10 30 BFEERN CC=C=CC(=O)c1cc(Cl)ccc1OC ZINC000167883095 356462442 /nfs/dbraw/zinc/46/24/42/356462442.db2.gz RAFQAPHWXSRJLM-UHFFFAOYSA-N 0 0 222.671 2.945 10 30 BFEERN C=CC[N-]C(=S)SCc1ccccc1 ZINC000205852078 356463424 /nfs/dbraw/zinc/46/34/24/356463424.db2.gz CURKVXWDHQQQRJ-UHFFFAOYSA-N 0 0 223.366 2.980 10 30 BFEERN CC1(C)CCc2cc(CC#N)ccc2O1 ZINC000206394420 356492435 /nfs/dbraw/zinc/49/24/35/356492435.db2.gz RNWGYBLHHGCWLZ-UHFFFAOYSA-N 0 0 201.269 2.856 10 30 BFEERN C=C(Cl)CNc1cccc(F)c1N ZINC000168173082 356505576 /nfs/dbraw/zinc/50/55/76/356505576.db2.gz BQYBUZVNYCXNNH-UHFFFAOYSA-N 0 0 200.644 2.572 10 30 BFEERN C=C(Cl)CNc1ccc(N)cc1F ZINC000168176707 356518310 /nfs/dbraw/zinc/51/83/10/356518310.db2.gz CEBCZVZJOIUCIU-UHFFFAOYSA-N 0 0 200.644 2.572 10 30 BFEERN C[C@@H](C#N)Oc1ccc(F)c(Br)c1 ZINC000137548762 356659084 /nfs/dbraw/zinc/65/90/84/356659084.db2.gz AWMGJXFIRGFOFE-LURJTMIESA-N 0 0 244.063 2.879 10 30 BFEERN Cc1ccc(C#CC(=O)OC(C)(C)C)cc1 ZINC000675079257 538517069 /nfs/dbraw/zinc/51/70/69/538517069.db2.gz SFVKUWZDVIOMSE-UHFFFAOYSA-N 0 0 216.280 2.688 10 30 BFEERN C#Cc1ccc(NC(=O)N[C@H](C)C(C)C)cc1 ZINC000675079302 538517659 /nfs/dbraw/zinc/51/76/59/538517659.db2.gz SMOWMUORUAJRIR-LLVKDONJSA-N 0 0 230.311 2.834 10 30 BFEERN C#Cc1ccc(NC(=O)N[C@@H](C)C(C)C)cc1 ZINC000675079303 538518087 /nfs/dbraw/zinc/51/80/87/538518087.db2.gz SMOWMUORUAJRIR-NSHDSACASA-N 0 0 230.311 2.834 10 30 BFEERN CCCCCC[C@]1(C)O[C@@H]1C(=O)OCC ZINC000084324641 538531170 /nfs/dbraw/zinc/53/11/70/538531170.db2.gz NXOPBRGMCUPJEI-PWSUYJOCSA-N 0 0 214.305 2.677 10 30 BFEERN C=CCc1c(O)ccc(OC)c1OCC ZINC000032237398 356697097 /nfs/dbraw/zinc/69/70/97/356697097.db2.gz PPSBHAJRGRMCQL-UHFFFAOYSA-N 0 0 208.257 2.528 10 30 BFEERN CCOC(=O)[C@@]1(CC)O[C@]12CCCC2(C)C ZINC000086869201 538561011 /nfs/dbraw/zinc/56/10/11/538561011.db2.gz GRYXEDRWTQUVIK-OLZOCXBDSA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@@]1(C)O[C@]12CCCC(C)(C)CC2 ZINC000085657789 538545226 /nfs/dbraw/zinc/54/52/26/538545226.db2.gz RCBSMLRWAGUZNG-OLZOCXBDSA-N 0 0 226.316 2.677 10 30 BFEERN CCCCCC[C@@]1(C)O[C@]1(C)C(=O)OC ZINC000085657947 538545354 /nfs/dbraw/zinc/54/53/54/538545354.db2.gz KBTUPMSCKUVXGS-VXGBXAGGSA-N 0 0 214.305 2.677 10 30 BFEERN COC(=O)[C@@]1(C(C)C)O[C@@]1(C)CCC(C)C ZINC000086182540 538550705 /nfs/dbraw/zinc/55/07/05/538550705.db2.gz HGZWQJBQIGDTAH-QWHCGFSZSA-N 0 0 228.332 2.779 10 30 BFEERN CCOC(=O)[C@@]1(CC)O[C@]1(C)C1CCCC1 ZINC000086166077 538551473 /nfs/dbraw/zinc/55/14/73/538551473.db2.gz VETBGJPTHLNJHW-CHWSQXEVSA-N 0 0 226.316 2.677 10 30 BFEERN CCOC(=O)[C@@]1(CC)O[C@@]1(C)CCC(C)C ZINC000086166059 538552621 /nfs/dbraw/zinc/55/26/21/538552621.db2.gz ZHLFAXDILTUUCC-QWHCGFSZSA-N 0 0 228.332 2.923 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@]1(C)C1CCCC1 ZINC000086166075 538552732 /nfs/dbraw/zinc/55/27/32/538552732.db2.gz VETBGJPTHLNJHW-OLZOCXBDSA-N 0 0 226.316 2.677 10 30 BFEERN CCOC(=O)[C@@]1(CC)O[C@]1(C)CCC(C)C ZINC000086166055 538552824 /nfs/dbraw/zinc/55/28/24/538552824.db2.gz ZHLFAXDILTUUCC-CHWSQXEVSA-N 0 0 228.332 2.923 10 30 BFEERN CCCC[C@]1(CC)O[C@]1(C(=O)OC)C(C)C ZINC000086182740 538552940 /nfs/dbraw/zinc/55/29/40/538552940.db2.gz DFNVYJRYTLKSGD-STQMWFEESA-N 0 0 228.332 2.923 10 30 BFEERN CCOC(=O)[C@@H]1O[C@@]12CCCC[C@@H]2C(C)C ZINC000125956909 538527496 /nfs/dbraw/zinc/52/74/96/538527496.db2.gz FXJFMDZNTLZAFA-NTZNESFSSA-N 0 0 226.316 2.533 10 30 BFEERN COC(=O)[C@@H]1O[C@@]12CCC[C@H](C(C)C)CC2 ZINC000084324396 538530198 /nfs/dbraw/zinc/53/01/98/538530198.db2.gz DPGQQANHDRGWMN-GMXVVIOVSA-N 0 0 226.316 2.533 10 30 BFEERN CCC[C@@]1(C2CCCC2)O[C@]1(Cl)C(=O)OC ZINC000313408139 538578642 /nfs/dbraw/zinc/57/86/42/538578642.db2.gz CWXWMMSVIJNDDT-NWDGAFQWSA-N 0 0 246.734 2.854 10 30 BFEERN C=C(C)[C@@H](NN)c1ccccc1Br ZINC000168283736 356713813 /nfs/dbraw/zinc/71/38/13/356713813.db2.gz IEHQYKWZWCWXOI-SNVBAGLBSA-N 0 0 241.132 2.530 10 30 BFEERN [O-]/[N+](=C\c1ccncc1)c1ccc(Cl)cc1 ZINC000006189317 356877880 /nfs/dbraw/zinc/87/78/80/356877880.db2.gz XWSUIJNDZKLHGS-DHDCSXOGSA-N 0 0 233.678 2.887 10 30 BFEERN CC#CCC(=O)c1ccc(OC)c(C)c1 ZINC000129852192 356986422 /nfs/dbraw/zinc/98/64/22/356986422.db2.gz QYRYNZHGTURLGT-UHFFFAOYSA-N 0 0 202.253 2.600 10 30 BFEERN COC(=O)[C@]1(C)O[C@]12CCCC[C@@H]2C(C)C ZINC000227955335 538774487 /nfs/dbraw/zinc/77/44/87/538774487.db2.gz QTNZYZMWBBRZFG-WXHSDQCUSA-N 0 0 226.316 2.533 10 30 BFEERN C=C(C)C(=O)[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300022617 357172609 /nfs/dbraw/zinc/17/26/09/357172609.db2.gz BEHCOGQGDRAQEE-CIUDSAMLSA-N 0 0 216.371 2.757 10 30 BFEERN CC#CCN[C@H](C)c1cc(F)ccc1F ZINC000160568176 538885360 /nfs/dbraw/zinc/88/53/60/538885360.db2.gz XTCOMZLLCWWETN-SECBINFHSA-N 0 0 209.239 2.639 10 30 BFEERN CC(C)(C)OC(=O)C#C[C@H]1CCC(F)(F)C1 ZINC000685952904 538894672 /nfs/dbraw/zinc/89/46/72/538894672.db2.gz FVLWELRCHNTLEB-VIFPVBQESA-N 0 0 230.254 2.767 10 30 BFEERN C=CCN1CC2(CCOCC2)c2ccccc21 ZINC000192285951 357827952 /nfs/dbraw/zinc/82/79/52/357827952.db2.gz ANGGUFDQOPSZIG-UHFFFAOYSA-N 0 0 229.323 2.741 10 30 BFEERN C=CC(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000168986867 358005670 /nfs/dbraw/zinc/00/56/70/358005670.db2.gz UCVQEEFKABVRDF-UHFFFAOYSA-N 0 0 222.112 2.751 10 30 BFEERN C=CC(=O)c1cc(F)c(Cl)cc1F ZINC000168988842 358006006 /nfs/dbraw/zinc/00/60/06/358006006.db2.gz WDKYBBMYLINIOP-UHFFFAOYSA-N 0 0 202.587 2.987 10 30 BFEERN COc1ccc(C(=O)/C=C\C(F)(F)F)cc1 ZINC000584611109 358275127 /nfs/dbraw/zinc/27/51/27/358275127.db2.gz HPVDJLXVZLTFFQ-SREVYHEPSA-N 0 0 230.185 2.996 10 30 BFEERN COc1cccc2cc3c(cc21)C(=O)C(=O)C=C3 ZINC000584614314 358278686 /nfs/dbraw/zinc/27/86/86/358278686.db2.gz JRIAKWOTFUHPEP-UHFFFAOYSA-N 0 0 238.242 2.627 10 30 BFEERN CC(C)(C)OC(=O)[C@@H](CC=O)Cc1ccccc1 ZINC000584596717 358254458 /nfs/dbraw/zinc/25/44/58/358254458.db2.gz IZPFLXDRWFHCAG-ZDUSSCGKSA-N 0 0 248.322 2.776 10 30 BFEERN CC[C@H](C)c1ccc(OC[C@H](O)CC#N)cc1 ZINC000584600324 358256983 /nfs/dbraw/zinc/25/69/83/358256983.db2.gz XQIKCARYVPZESJ-WCQYABFASA-N 0 0 233.311 2.853 10 30 BFEERN C#C[C@](O)(c1cccc(Cl)c1)C1(C#N)CCC1 ZINC000584600602 358257029 /nfs/dbraw/zinc/25/70/29/358257029.db2.gz SDLJVEILBFATEU-AWEZNQCLSA-N 0 0 245.709 2.855 10 30 BFEERN C=C[C@@H](C1CCOCC1)[C@H]1CCCCC1=O ZINC000584601303 358258096 /nfs/dbraw/zinc/25/80/96/358258096.db2.gz BDIQIJUBYOHYKQ-QWHCGFSZSA-N 0 0 222.328 2.975 10 30 BFEERN N#CC1(c2ccc(Cl)cc2C=O)CC1 ZINC000584603466 358261854 /nfs/dbraw/zinc/26/18/54/358261854.db2.gz XWQNIFYBUQEPEZ-UHFFFAOYSA-N 0 0 205.644 2.708 10 30 BFEERN Oc1cccc2c1C=Cc1cccc3c1N2CC3 ZINC000584605811 358264349 /nfs/dbraw/zinc/26/43/49/358264349.db2.gz MHCNFFVUJYOTSM-UHFFFAOYSA-N 0 0 235.286 2.859 10 30 BFEERN OC(C#Cc1ccsc1)C#Cc1ccsc1 ZINC000584615799 358280419 /nfs/dbraw/zinc/28/04/19/358280419.db2.gz GLVCHHUNQXDWHQ-UHFFFAOYSA-N 0 0 244.340 2.574 10 30 BFEERN C=C(C(=O)OC)[C@H](F)c1ccc(C)cc1 ZINC000584606685 358266092 /nfs/dbraw/zinc/26/60/92/358266092.db2.gz HDVCCTBXPIYCGO-NSHDSACASA-N 0 0 208.232 2.735 10 30 BFEERN CC1(C)/C(=N\O)[C@@]2(Br)CC[C@@H]1C2 ZINC000584607255 358267277 /nfs/dbraw/zinc/26/72/77/358267277.db2.gz PCCIVERFSVHDBB-UVGSXXKPSA-N 0 0 232.121 2.790 10 30 BFEERN C#C[C@@H](OC(C)=O)c1ccc(C(F)(F)F)cc1 ZINC000584615696 358280507 /nfs/dbraw/zinc/28/05/07/358280507.db2.gz HQFKWLGHGZBXJL-LLVKDONJSA-N 0 0 242.196 2.943 10 30 BFEERN N#CC(Cl)(C#N)/C(=N/Cl)c1ccccc1 ZINC000584609835 358271870 /nfs/dbraw/zinc/27/18/70/358271870.db2.gz CDVATYBHUINNKO-OQLLNIDSSA-N 0 0 238.077 2.654 10 30 BFEERN Cc1ccc(C)n1-c1cc(C(C)(C)C#N)n(C)n1 ZINC000584619466 358286205 /nfs/dbraw/zinc/28/62/05/358286205.db2.gz PZCFJJBIQDAFPG-UHFFFAOYSA-N 0 0 242.326 2.629 10 30 BFEERN C=C(C)C(=C)S(=O)(=O)c1ccc(OC)cc1 ZINC000584619951 358286850 /nfs/dbraw/zinc/28/68/50/358286850.db2.gz OIMPTQBPCZBBFC-UHFFFAOYSA-N 0 0 238.308 2.559 10 30 BFEERN N#CC[C@H](O)Cc1cccc2ccccc21 ZINC000584620775 358287920 /nfs/dbraw/zinc/28/79/20/358287920.db2.gz ZSJSSVKSDPYVKE-ZDUSSCGKSA-N 0 0 211.264 2.657 10 30 BFEERN COc1cc(CC/C(C)=N/O)c(OC)cc1C ZINC000584624419 358292546 /nfs/dbraw/zinc/29/25/46/358292546.db2.gz FYDDVOHJSGGMRY-GXDHUFHOSA-N 0 0 237.299 2.795 10 30 BFEERN CCOC(=O)[C@@H]1C(C)=C(CC)C(=O)CC1(C)C ZINC000584624685 358293131 /nfs/dbraw/zinc/29/31/31/358293131.db2.gz FDNJHZKCZGKPBS-LBPRGKRZSA-N 0 0 238.327 2.891 10 30 BFEERN CO/N=C(\C)Cc1cc(OC)c(C)cc1OC ZINC000584627870 358297175 /nfs/dbraw/zinc/29/71/75/358297175.db2.gz NNQGYDBMFJDAMC-GXDHUFHOSA-N 0 0 237.299 2.577 10 30 BFEERN C=CC[C@@H](C(C)=O)C(=O)SCCCC ZINC000584648073 358302792 /nfs/dbraw/zinc/30/27/92/358302792.db2.gz XEUPUCLIMPLOHE-JTQLQIEISA-N 0 0 214.330 2.828 10 30 BFEERN CCC(=NC#N)N[C@@H]1CCCc2ccccc21 ZINC000584650312 358305014 /nfs/dbraw/zinc/30/50/14/358305014.db2.gz CFLFKTHJCRYDJC-CYBMUJFWSA-N 0 0 227.311 2.943 10 30 BFEERN C=C/N=C/N(/C=N/C=C)C1CCCCC1 ZINC000584657763 358309624 /nfs/dbraw/zinc/30/96/24/358309624.db2.gz JQJNKRYFJKFFPO-IFQMDVHZSA-N 0 0 205.305 2.965 10 30 BFEERN C=C[C@@]1(O)CCCSc2cc(OC)ccc21 ZINC000584616598 358281359 /nfs/dbraw/zinc/28/13/59/358281359.db2.gz IGCZVZCMVRCEFN-CYBMUJFWSA-N 0 0 236.336 2.955 10 30 BFEERN O=C1C2=C(CCCC2)C(O)=C1c1ccncc1 ZINC000584618386 358284046 /nfs/dbraw/zinc/28/40/46/358284046.db2.gz XOCHJWGDZPDFCL-UHFFFAOYSA-N 0 0 227.263 2.804 10 30 BFEERN N#C[C@H]1CC(=O)c2cc(Br)ccc21 ZINC000584618563 358284414 /nfs/dbraw/zinc/28/44/14/358284414.db2.gz LVEOQIAHRMAFEO-ZCFIWIBFSA-N 0 0 236.068 2.643 10 30 BFEERN C[C@H](CC#N)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000172881679 134270275 /nfs/dbraw/zinc/27/02/75/134270275.db2.gz DQOSNDRBADQIAO-RTXFEEFZSA-N 0 0 234.343 2.621 10 30 BFEERN CCOC(=O)c1noc(C#CC(C)(C)C)c1C ZINC000584632012 358314709 /nfs/dbraw/zinc/31/47/09/358314709.db2.gz HLBXLNNZHCGRBM-UHFFFAOYSA-N 0 0 235.283 2.557 10 30 BFEERN Cc1cc(=O)c(C#N)c(OCc2ccccc2)[nH]1 ZINC000584633624 358317483 /nfs/dbraw/zinc/31/74/83/358317483.db2.gz WKRXDSVHKIYHLG-UHFFFAOYSA-N 0 0 240.262 2.546 10 30 BFEERN COc1ccc(OCC[C@@H](C)C#N)cc1 ZINC000584634568 358318891 /nfs/dbraw/zinc/31/88/91/358318891.db2.gz MGZWBSPGEZPUCH-SNVBAGLBSA-N 0 0 205.257 2.624 10 30 BFEERN C=CC(F)(F)c1ccc(OC)c(OC)c1 ZINC000584635112 358319436 /nfs/dbraw/zinc/31/94/36/358319436.db2.gz UFHIFQDIRJDFHC-UHFFFAOYSA-N 0 0 214.211 2.982 10 30 BFEERN COc1ccc(/N=C2\OC[C@H](C)S2)cc1 ZINC000584636222 358320675 /nfs/dbraw/zinc/32/06/75/358320675.db2.gz ZFRPVZVBIQRYDN-BVKVCPRXSA-N 0 0 223.297 2.835 10 30 BFEERN Cc1cc2c(cc1C)C(=O)/C(=N/O)CCC2 ZINC000584638230 358323568 /nfs/dbraw/zinc/32/35/68/358323568.db2.gz HLRGBMXHJNMYGW-WYMLVPIESA-N 0 0 217.268 2.653 10 30 BFEERN CC(C)Oc1ccc2c(c1)C(=O)/C(=N/O)CCC2 ZINC000584638454 358323858 /nfs/dbraw/zinc/32/38/58/358323858.db2.gz ZDZBEJGWYQEHNM-FYWRMAATSA-N 0 0 247.294 2.823 10 30 BFEERN Cc1cnccc1-c1cnc2cc(C#N)ccc2n1 ZINC000584640054 358325487 /nfs/dbraw/zinc/32/54/87/358325487.db2.gz WSPRZCTVVLORKS-UHFFFAOYSA-N 0 0 246.273 2.872 10 30 BFEERN CCC[C@@H](O)C#CCCCCCCC(=O)OC ZINC000584640621 358326849 /nfs/dbraw/zinc/32/68/49/358326849.db2.gz IRZAXKOSDFNVBA-CYBMUJFWSA-N 0 0 240.343 2.664 10 30 BFEERN CC(C)N(CCC#N)C(=O)[C@@H]1CCC[C@@H]1C ZINC000230170858 358394758 /nfs/dbraw/zinc/39/47/58/358394758.db2.gz LPIOZGOUFJPFPN-NWDGAFQWSA-N 0 0 222.332 2.573 10 30 BFEERN C[C@]1(C=O)CC[C@H](c2ncc(Cl)s2)O1 ZINC000306179905 358990208 /nfs/dbraw/zinc/99/02/08/358990208.db2.gz IXOGGZATRPINOI-HZGVNTEJSA-N 0 0 231.704 2.606 10 30 BFEERN C[C@]1(C=O)CC[C@@H](c2ncc(Cl)s2)O1 ZINC000306179906 358990217 /nfs/dbraw/zinc/99/02/17/358990217.db2.gz IXOGGZATRPINOI-IMTBSYHQSA-N 0 0 231.704 2.606 10 30 BFEERN N#C[C@@H](N)c1cc(Cl)sc1Cl ZINC000306221150 359346714 /nfs/dbraw/zinc/34/67/14/359346714.db2.gz VSZXPUPYYATKIO-SCSAIBSYSA-N 0 0 207.085 2.578 10 30 BFEERN C=C(Cl)CNC(=O)Nc1cccs1 ZINC000306266134 359489056 /nfs/dbraw/zinc/48/90/56/359489056.db2.gz PIDXJMJTLMFFOY-UHFFFAOYSA-N 0 0 216.693 2.622 10 30 BFEERN N#Cc1ccc(Sc2ccc(CO)cc2)cn1 ZINC000130334013 359579688 /nfs/dbraw/zinc/57/96/88/359579688.db2.gz UYJCXGQPRAYJRQ-UHFFFAOYSA-N 0 0 242.303 2.597 10 30 BFEERN C#CCNc1cc(Cl)cnc1Br ZINC000306356488 359683276 /nfs/dbraw/zinc/68/32/76/359683276.db2.gz XLUAQFREJLOYFE-UHFFFAOYSA-N 0 0 245.507 2.543 10 30 BFEERN Brc1ccc(N=NC2CCC2)cn1 ZINC000306363672 359698822 /nfs/dbraw/zinc/69/88/22/359698822.db2.gz YZIASXAGNPVWJL-UHFFFAOYSA-N 0 0 240.104 2.796 10 30 BFEERN C=CC(=O)c1ccc(F)c(Br)c1 ZINC000169230804 359827708 /nfs/dbraw/zinc/82/77/08/359827708.db2.gz OYWQTFKWINDVCX-UHFFFAOYSA-N 0 0 229.048 2.957 10 30 BFEERN C[C@]1(c2cccc(Cl)c2)CC[C@@H](C=O)O1 ZINC000306420888 359865889 /nfs/dbraw/zinc/86/58/89/359865889.db2.gz GKODGGXSINWTPX-NWDGAFQWSA-N 0 0 224.687 2.933 10 30 BFEERN O=CC1([C@H]2CCOC3(CCCC3)C2)CC1 ZINC000306450046 360019004 /nfs/dbraw/zinc/01/90/04/360019004.db2.gz BPCQQDVKROJWMK-NSHDSACASA-N 0 0 208.301 2.705 10 30 BFEERN C#CCC(=O)Cc1cccc(Cl)c1F ZINC000169275443 360046260 /nfs/dbraw/zinc/04/62/60/360046260.db2.gz CGGCGJYHAAQTJE-UHFFFAOYSA-N 0 0 210.635 2.614 10 30 BFEERN C#CC[NH2+][C@H](c1ccccn1)C1CCCC1 ZINC000091264569 360110661 /nfs/dbraw/zinc/11/06/61/360110661.db2.gz KFCBHPIWVYYXRB-AWEZNQCLSA-N 0 0 214.312 2.536 10 30 BFEERN C#CCN(C)c1cccc(Br)c1 ZINC000306478367 360125743 /nfs/dbraw/zinc/12/57/43/360125743.db2.gz BAWZHDVILFZJER-UHFFFAOYSA-N 0 0 224.101 2.519 10 30 BFEERN C=C([C@H](O)[C@]1(C)CCCS1)C(F)(F)F ZINC000306498625 360238241 /nfs/dbraw/zinc/23/82/41/360238241.db2.gz FUSJBOIEEUVVJM-YUMQZZPRSA-N 0 0 226.263 2.752 10 30 BFEERN CCc1ccsc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000093655737 360268512 /nfs/dbraw/zinc/26/85/12/360268512.db2.gz VWTQUFVXEPJQOW-MNOVXSKESA-N 0 0 248.351 2.733 10 30 BFEERN C[C@@H]1CC[C@]2(CCC[C@H](C=O)O2)C[C@@H]1C ZINC000306520096 360343657 /nfs/dbraw/zinc/34/36/57/360343657.db2.gz JRXSWYSGXKUBKB-YVECIDJPSA-N 0 0 210.317 2.949 10 30 BFEERN C[C@H]1CC[C@@H](C(=O)CC#CC(C)(C)C)O1 ZINC000300719746 360381055 /nfs/dbraw/zinc/38/10/55/360381055.db2.gz BCHFKJSZBRKHOR-JQWIXIFHSA-N 0 0 208.301 2.563 10 30 BFEERN Cc1cnc(N[C@@H]2CC[C@@H](C#N)C2)s1 ZINC000306532077 360391406 /nfs/dbraw/zinc/39/14/06/360391406.db2.gz GJEXOWNXDAQMKN-RKDXNWHRSA-N 0 0 207.302 2.556 10 30 BFEERN N#CC1(Nc2cccc(Cl)c2)CSC1 ZINC000306562771 360439833 /nfs/dbraw/zinc/43/98/33/360439833.db2.gz CRRQIXXKERCUOQ-UHFFFAOYSA-N 0 0 224.716 2.761 10 30 BFEERN CC(C)(C)C#CC[C@H](O)CC(F)(F)F ZINC000300759011 360455045 /nfs/dbraw/zinc/45/50/45/360455045.db2.gz NHMGYIVGMMZMOS-QMMMGPOBSA-N 0 0 208.223 2.739 10 30 BFEERN C[C@H](c1ccccc1)[C@@H]1CC(=O)C=CO1 ZINC000069850471 360702772 /nfs/dbraw/zinc/70/27/72/360702772.db2.gz MTYLITONYWLKLQ-MFKMUULPSA-N 0 0 202.253 2.662 10 30 BFEERN Cc1cc(F)ccc1[C@H]1CC(=O)C=CO1 ZINC000069850489 360702912 /nfs/dbraw/zinc/70/29/12/360702912.db2.gz BKELBYQNULBWNA-GFCCVEGCSA-N 0 0 206.216 2.678 10 30 BFEERN C[C@H](c1ccccc1)[C@H]1CC(=O)C=CO1 ZINC000069850473 360703063 /nfs/dbraw/zinc/70/30/63/360703063.db2.gz MTYLITONYWLKLQ-ZWNOBZJWSA-N 0 0 202.253 2.662 10 30 BFEERN Cc1nc(Br)c(C#N)cc1Cl ZINC000238478491 361098595 /nfs/dbraw/zinc/09/85/95/361098595.db2.gz WSVRBROQWODRRC-UHFFFAOYSA-N 0 0 231.480 2.678 10 30 BFEERN N#Cc1cccc(Cl)c1OC(F)F ZINC000238524007 361139445 /nfs/dbraw/zinc/13/94/45/361139445.db2.gz CSEPSAOXBXUDSC-UHFFFAOYSA-N 0 0 203.575 2.813 10 30 BFEERN N#Cc1cc(Br)cc(OC(F)F)c1 ZINC000238524552 361139448 /nfs/dbraw/zinc/13/94/48/361139448.db2.gz QZQVJZRVYGXYKL-UHFFFAOYSA-N 0 0 248.026 2.922 10 30 BFEERN N#CCc1ccnc(OC(F)(F)F)c1Cl ZINC000238549505 361143411 /nfs/dbraw/zinc/14/34/11/361143411.db2.gz CRFZTONMKHDXAY-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN N#CCc1ccc(OC(F)(F)F)nc1Cl ZINC000238534311 361143425 /nfs/dbraw/zinc/14/34/25/361143425.db2.gz NFMVUICIPCPAPQ-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN N#Cc1csc2c1nc(Cl)nc2Cl ZINC000238563096 361152847 /nfs/dbraw/zinc/15/28/47/361152847.db2.gz XPAFPDODZOMSMI-UHFFFAOYSA-N 0 0 230.079 2.870 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)c1ccccc1F ZINC000041045677 361182717 /nfs/dbraw/zinc/18/27/17/361182717.db2.gz SZIICWMSMFSCDI-SNVBAGLBSA-N 0 0 205.232 2.804 10 30 BFEERN CC(C)O[C@@]1(C#N)CSCCC1(C)C ZINC000306636190 361387832 /nfs/dbraw/zinc/38/78/32/361387832.db2.gz AUXFNTHEUIAHHJ-NSHDSACASA-N 0 0 213.346 2.837 10 30 BFEERN CCO/C=C1/CCc2sccc2C1=O ZINC000070159874 361473025 /nfs/dbraw/zinc/47/30/25/361473025.db2.gz DPVFCILJCZSBBR-FPLPWBNLSA-N 0 0 208.282 2.797 10 30 BFEERN C#CC[C@H](O)c1cc(Br)cs1 ZINC000070598920 361582533 /nfs/dbraw/zinc/58/25/33/361582533.db2.gz PBEJZSKDEISGQN-ZETCQYMHSA-N 0 0 231.114 2.567 10 30 BFEERN CC#CC[C@@H](O)c1ccc(Br)s1 ZINC000070597639 361582580 /nfs/dbraw/zinc/58/25/80/361582580.db2.gz LWOYRPCGQILLDQ-SSDOTTSWSA-N 0 0 245.141 2.957 10 30 BFEERN C=C=CC(=O)c1ccc(Br)s1 ZINC000070597561 361583167 /nfs/dbraw/zinc/58/31/67/361583167.db2.gz SSXQCWMJTRURAY-UHFFFAOYSA-N 0 0 229.098 2.717 10 30 BFEERN C#CCC[C@H](O)c1cc(Br)cs1 ZINC000070598852 361583217 /nfs/dbraw/zinc/58/32/17/361583217.db2.gz CNKNFGLKHOJAHM-QMMMGPOBSA-N 0 0 245.141 2.957 10 30 BFEERN C[C@@H](C#N)CSc1ncccc1Cl ZINC000070614910 361629198 /nfs/dbraw/zinc/62/91/98/361629198.db2.gz GYLJQPYAUMDCIF-ZETCQYMHSA-N 0 0 212.705 2.987 10 30 BFEERN CCCCCC[C@]1(C)O[C@]1(Cl)C(=O)OC ZINC000232941145 541508444 /nfs/dbraw/zinc/50/84/44/541508444.db2.gz SGXNNOARFSTBPK-WDEREUQCSA-N 0 0 234.723 2.854 10 30 BFEERN CCC[C@]1(CC)O[C@@]1(CC)C(=O)OCC ZINC000233367229 541508537 /nfs/dbraw/zinc/50/85/37/541508537.db2.gz MWKXXBCJYSZGCP-RYUDHWBXSA-N 0 0 214.305 2.677 10 30 BFEERN CC[C@@H]1CCC[C@]2(CC1)O[C@@]2(Cl)C(=O)OC ZINC000233921717 541509746 /nfs/dbraw/zinc/50/97/46/541509746.db2.gz XMQALVKYWYDAPZ-JLLWLGSASA-N 0 0 246.734 2.854 10 30 BFEERN C=C[C@@]1(COCc2ccccc2)CC[C@H](OC)O1 ZINC000225946168 368418087 /nfs/dbraw/zinc/41/80/87/368418087.db2.gz MXBZONPALQWKLH-CABCVRRESA-N 0 0 248.322 2.911 10 30 BFEERN C=C(C)c1nc(CCC)[nH]c1C(=O)OCC ZINC000039040341 368408386 /nfs/dbraw/zinc/40/83/86/368408386.db2.gz IEJYWOUUSSOSKC-UHFFFAOYSA-N 0 0 222.288 2.572 10 30 BFEERN COc1cc2nccc(Cl)c2cc1C#N ZINC000117456981 370920190 /nfs/dbraw/zinc/92/01/90/370920190.db2.gz PCDQEBQGDAXMLI-UHFFFAOYSA-N 0 0 218.643 2.768 10 30 BFEERN C[C@@H]1CCC[C@@H](SC[C@](C)(N)C#N)C1 ZINC000054694919 369087097 /nfs/dbraw/zinc/08/70/97/369087097.db2.gz RQXRABCSZYTCPN-GMTAPVOTSA-N 0 0 212.362 2.539 10 30 BFEERN N#CCc1cc(C(F)F)cc(F)c1F ZINC000215133948 369096540 /nfs/dbraw/zinc/09/65/40/369096540.db2.gz NNNILUXLSUNCEE-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN COc1ccc(CN[C@H]2CCC[C@H]2C#N)c(F)c1 ZINC000405028372 369441184 /nfs/dbraw/zinc/44/11/84/369441184.db2.gz OILSLVUTEHZPIN-HZMBPMFUSA-N 0 0 248.301 2.616 10 30 BFEERN N#Cc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000250120202 369489921 /nfs/dbraw/zinc/48/99/21/369489921.db2.gz RJQPJNXBKXKKDD-ZSBIGDGJSA-N 0 0 226.279 2.543 10 30 BFEERN CC#CCC[C@@]1(O)CSCCC1(C)C ZINC000161512018 369561143 /nfs/dbraw/zinc/56/11/43/369561143.db2.gz OPVPJLBVFKEGGI-GFCCVEGCSA-N 0 0 212.358 2.684 10 30 BFEERN Cc1nc(C)c(CN[C@H]2CCCC[C@@H]2C#N)s1 ZINC000310374031 370341705 /nfs/dbraw/zinc/34/17/05/370341705.db2.gz YTFSEAXFHAZURY-NEPJUHHUSA-N 0 0 249.383 2.932 10 30 BFEERN O=C(c1c(F)c(F)c(F)c(F)c1F)C(F)F ZINC000390316286 371195172 /nfs/dbraw/zinc/19/51/72/371195172.db2.gz HIPCYTSRVSNSAY-UHFFFAOYSA-N 0 0 246.081 2.830 10 30 BFEERN CCCCN(C)c1cc(C)nc(C)c1C#N ZINC000156536849 371442026 /nfs/dbraw/zinc/44/20/26/371442026.db2.gz DTWHSZISOTUUCT-UHFFFAOYSA-N 0 0 217.316 2.806 10 30 BFEERN CSCC[C@]1(C#N)CCC(C)(C)C1=O ZINC000131679750 371650813 /nfs/dbraw/zinc/65/08/13/371650813.db2.gz NQBOJUYUYUXGGI-NSHDSACASA-N 0 0 211.330 2.639 10 30 BFEERN CSCC[C@@]1(C#N)CCC(C)(C)C1=O ZINC000131679516 371650916 /nfs/dbraw/zinc/65/09/16/371650916.db2.gz NQBOJUYUYUXGGI-LLVKDONJSA-N 0 0 211.330 2.639 10 30 BFEERN O=CC=C([O-])c1ccc(Br)cc1F ZINC000131952656 371723987 /nfs/dbraw/zinc/72/39/87/371723987.db2.gz CTCOTYUZSMBGQP-ONEGZZNKSA-N 0 0 245.047 2.843 10 30 BFEERN CSCc1ccc(Cl)c(N)c1C#N ZINC000131866485 371700583 /nfs/dbraw/zinc/70/05/83/371700583.db2.gz YTRNWPPRJCFBJX-UHFFFAOYSA-N 0 0 212.705 2.657 10 30 BFEERN Cc1cc(Br)c(O)cc1CC#N ZINC000216412882 371751811 /nfs/dbraw/zinc/75/18/11/371751811.db2.gz DBFXLEAIVVKQFD-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN C=C(C)C(=O)c1cc(Br)ccc1N ZINC000132737839 371909119 /nfs/dbraw/zinc/90/91/19/371909119.db2.gz UIAJHJJCORTKTJ-UHFFFAOYSA-N 0 0 240.100 2.790 10 30 BFEERN C#CCCC[C@@]1(O)CSCC(C)(C)C1 ZINC000163270610 371962052 /nfs/dbraw/zinc/96/20/52/371962052.db2.gz MDGCEMQWYIXWQL-LBPRGKRZSA-N 0 0 212.358 2.684 10 30 BFEERN C=CCN(C)c1ncc(Br)cc1C ZINC000163479616 372001589 /nfs/dbraw/zinc/00/15/89/372001589.db2.gz DTPCCCKSWLEHNY-UHFFFAOYSA-N 0 0 241.132 2.775 10 30 BFEERN CC(C)=CC(=O)c1ccc(Br)cn1 ZINC000133038939 371977205 /nfs/dbraw/zinc/97/72/05/371977205.db2.gz ZSEXGSMESXZZBR-UHFFFAOYSA-N 0 0 240.100 2.993 10 30 BFEERN CC[C@@H](C)SC1(C#N)CC2(COC2)C1 ZINC000228058467 371982859 /nfs/dbraw/zinc/98/28/59/371982859.db2.gz CMZVVTLKVBDOLW-SECBINFHSA-N 0 0 211.330 2.591 10 30 BFEERN O=C(C#Cc1ccccc1)c1cn2ccccc2n1 ZINC000089200939 181851936 /nfs/dbraw/zinc/85/19/36/181851936.db2.gz JLULHKBRAUFSMA-UHFFFAOYSA-N 0 0 246.269 2.569 10 30 BFEERN C#CCCNc1nc(Cl)ccc1Cl ZINC000306510142 372029397 /nfs/dbraw/zinc/02/93/97/372029397.db2.gz CSPMRJFIPTVCCU-UHFFFAOYSA-N 0 0 215.083 2.824 10 30 BFEERN N#Cc1cc(C(F)(F)F)c(N)cc1Cl ZINC000306592850 372041935 /nfs/dbraw/zinc/04/19/35/372041935.db2.gz DHTYTTOGCNMCLA-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN C#C[C@H](O)c1ccc(Cl)cc1Br ZINC000133427155 372046999 /nfs/dbraw/zinc/04/69/99/372046999.db2.gz JCWGAZJNPIDGGI-VIFPVBQESA-N 0 0 245.503 2.769 10 30 BFEERN CC[C@H](C#N)[S@](=O)[C@@H]1CCC[C@@H](C)C1 ZINC000218015188 372047752 /nfs/dbraw/zinc/04/77/52/372047752.db2.gz PFJGNSWELOHHSD-BIAAXOCRSA-N 0 0 213.346 2.616 10 30 BFEERN C=C(C)C[C@H](O)[C@@H]1SCCS[C@H]1C ZINC000228276699 372010794 /nfs/dbraw/zinc/01/07/94/372010794.db2.gz RAGXPWZNAFJMJI-LPEHRKFASA-N 0 0 218.387 2.551 10 30 BFEERN C[C@]1(c2ccccc2Cl)CC[C@H](C=O)O1 ZINC000307282496 372107982 /nfs/dbraw/zinc/10/79/82/372107982.db2.gz LCAYAMZUTIJKLO-BXKDBHETSA-N 0 0 224.687 2.933 10 30 BFEERN C=C(c1ccnc(=S)[nH]1)C(F)(F)F ZINC000307697366 372137871 /nfs/dbraw/zinc/13/78/71/372137871.db2.gz LURMVGHPJGXPGV-UHFFFAOYSA-N 0 0 206.192 2.715 10 30 BFEERN C=CC[C@@H](C)Nc1nsnc1Cl ZINC000229326200 372142559 /nfs/dbraw/zinc/14/25/59/372142559.db2.gz UASFYFDOQQDWDO-RXMQYKEDSA-N 0 0 203.698 2.568 10 30 BFEERN Cc1nc2[nH]cc(Br)c2cc1C#N ZINC000229633822 372175687 /nfs/dbraw/zinc/17/56/87/372175687.db2.gz RXPRUQHJTKOTOZ-UHFFFAOYSA-N 0 0 236.072 2.506 10 30 BFEERN FC(F)(F)C(F)(F)C(F)(F)c1cc[nH]n1 ZINC000038675078 372738809 /nfs/dbraw/zinc/73/88/09/372738809.db2.gz ZJNFZKRETOIRSX-UHFFFAOYSA-N 0 0 236.090 2.699 10 30 BFEERN O=C(CS)c1ccc(Br)s1 ZINC000057528334 182006129 /nfs/dbraw/zinc/00/61/29/182006129.db2.gz JBCUJHSPGXEBKO-UHFFFAOYSA-N 0 0 237.143 2.623 10 30 BFEERN O=[N+]([O-])c1cc(Cl)ccc1CS ZINC000141494068 372962539 /nfs/dbraw/zinc/96/25/39/372962539.db2.gz JSQIGFFNPMXNFC-UHFFFAOYSA-N 0 0 203.650 2.678 10 30 BFEERN O=C1C=CO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000069850351 373878106 /nfs/dbraw/zinc/87/81/06/373878106.db2.gz JTHOPGFWXUWBMR-LLVKDONJSA-N 0 0 210.179 2.509 10 30 BFEERN O=C1C=CO[C@H](c2cc(F)ccc2F)C1 ZINC000069850342 373877051 /nfs/dbraw/zinc/87/70/51/373877051.db2.gz PHAUCTUNKGMDGK-NSHDSACASA-N 0 0 210.179 2.509 10 30 BFEERN Cc1ccc(C(=O)C2=CCCC2)cc1N ZINC000070671412 374173443 /nfs/dbraw/zinc/17/34/43/374173443.db2.gz ZDHSCWSXILEZJG-UHFFFAOYSA-N 0 0 201.269 2.870 10 30 BFEERN O=C1C=C(c2ccc3c(c2)CCO3)CCC1 ZINC000077306289 182714431 /nfs/dbraw/zinc/71/44/31/182714431.db2.gz MOHRGTXYYMMDEU-UHFFFAOYSA-N 0 0 214.264 2.758 10 30 BFEERN O=[N+]([O-])c1ccc(N=NC2C[C@@H]3CC=C[C@H]23)cc1 ZINC000005019978 182933897 /nfs/dbraw/zinc/93/38/97/182933897.db2.gz UMWAQZYZZVEAOD-LUTBFBCPSA-N 0 0 243.266 2.959 10 30 BFEERN OCC#Cc1ccc(COC2CCCCC2)cc1 ZINC000049619821 183032393 /nfs/dbraw/zinc/03/23/93/183032393.db2.gz NEIGNCOSIBQMCA-UHFFFAOYSA-N 0 0 244.334 2.880 10 30 BFEERN OCC#Cc1cc(COC2CCCC2)ccc1F ZINC000049619868 183032781 /nfs/dbraw/zinc/03/27/81/183032781.db2.gz IWTJAJQNVCMHBP-UHFFFAOYSA-N 0 0 248.297 2.629 10 30 BFEERN CCCCc1ccc(N2C[C@@H](C#N)CC2=O)cc1 ZINC000033434839 169021062 /nfs/dbraw/zinc/02/10/62/169021062.db2.gz QVAFVLHQVLYXDF-CYBMUJFWSA-N 0 0 242.322 2.906 10 30 BFEERN O[C@H](C#Cc1ccccc1)Cc1ccccc1 ZINC000021995501 183218068 /nfs/dbraw/zinc/21/80/68/183218068.db2.gz UGNAFPHSPLPSAB-MRXNPFEDSA-N 0 0 222.287 2.642 10 30 BFEERN Oc1ccccc1C=NNc1ccc(F)cc1 ZINC000004933293 183299230 /nfs/dbraw/zinc/29/92/30/183299230.db2.gz AFQACLAZLAEXFK-OQLLNIDSSA-N 0 0 230.242 2.977 10 30 BFEERN CCCN[C@@H](C#N)CCOc1ccc(CC)cc1 ZINC000062445914 169273157 /nfs/dbraw/zinc/27/31/57/169273157.db2.gz KUKXSZLLLVXODA-CQSZACIVSA-N 0 0 246.354 2.910 10 30 BFEERN CCCN[C@@H](C#N)CCOc1ccccc1CC ZINC000062447539 169273767 /nfs/dbraw/zinc/27/37/67/169273767.db2.gz WWTWLHYMCSGEMI-CQSZACIVSA-N 0 0 246.354 2.910 10 30 BFEERN CCCN[C@H](C#N)c1cccc(OCC)c1 ZINC000020174910 169283590 /nfs/dbraw/zinc/28/35/90/169283590.db2.gz LPNSGCVUIYFHJS-CYBMUJFWSA-N 0 0 218.300 2.650 10 30 BFEERN CCCN[C@H](C#N)c1ccccc1OCC ZINC000020174751 169283607 /nfs/dbraw/zinc/28/36/07/169283607.db2.gz DTVPQJPXQDGHHI-GFCCVEGCSA-N 0 0 218.300 2.650 10 30 BFEERN CCCN[C@H](C#N)c1cc(F)c(F)c(F)c1 ZINC000062711909 169283916 /nfs/dbraw/zinc/28/39/16/169283916.db2.gz MNIJUMFEKZOHTP-SNVBAGLBSA-N 0 0 228.217 2.668 10 30 BFEERN CCC[C@@H](C#N)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000044812132 169342742 /nfs/dbraw/zinc/34/27/42/169342742.db2.gz PQIUPQPTOXYWID-TUAOUCFPSA-N 0 0 222.332 2.716 10 30 BFEERN CCCOc1cccc([C@H](C#N)N(C)C)c1 ZINC000019934915 169325809 /nfs/dbraw/zinc/32/58/09/169325809.db2.gz UCUWAJSTRWQDPI-ZDUSSCGKSA-N 0 0 218.300 2.602 10 30 BFEERN CC(C)(C)OC(=O)N1CC[C@@H](CCS)C1 ZINC000084303449 166651924 /nfs/dbraw/zinc/65/19/24/166651924.db2.gz NPJUGERPGXFQNG-VIFPVBQESA-N 0 0 231.361 2.563 10 30 BFEERN CCCc1ccc(OC[C@@H](C#N)NC(C)C)cc1 ZINC000053334319 169572245 /nfs/dbraw/zinc/57/22/45/169572245.db2.gz XMOWUPBGAZJIJI-CQSZACIVSA-N 0 0 246.354 2.908 10 30 BFEERN CCCc1cccc2c(N)c(C#N)cnc12 ZINC000050843017 169577818 /nfs/dbraw/zinc/57/78/18/169577818.db2.gz IUNUOHWVFCIVLW-UHFFFAOYSA-N 0 0 211.268 2.641 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1ncc(Cl)s1 ZINC000225521216 134353826 /nfs/dbraw/zinc/35/38/26/134353826.db2.gz VEKQGQOKIDTXQD-YUMQZZPRSA-N 0 0 241.747 2.578 10 30 BFEERN C=COCC(F)(F)C(F)(F)C(F)(F)F ZINC000002572061 383979114 /nfs/dbraw/zinc/97/91/14/383979114.db2.gz UDAAMHMYEJUEDJ-UHFFFAOYSA-N 0 0 226.091 2.979 10 30 BFEERN Cc1cc(CC#N)c(C#N)cc1C(F)(F)F ZINC000575649232 383959087 /nfs/dbraw/zinc/95/90/87/383959087.db2.gz QMAZSGJBZFSPAG-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN COc1cc(C#N)c(C(F)(F)F)cc1CC#N ZINC000575650571 384046286 /nfs/dbraw/zinc/04/62/86/384046286.db2.gz XYOCBFCEEOTXNX-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN C[C@H](NCC#N)c1cccc(Br)c1 ZINC000038012579 384056158 /nfs/dbraw/zinc/05/61/58/384056158.db2.gz JQTZKWJNEKZMSZ-QMMMGPOBSA-N 0 0 239.116 2.623 10 30 BFEERN CCc1cc(C#N)c(CC)c([N+](=O)[O-])c1 ZINC000575652457 384109042 /nfs/dbraw/zinc/10/90/42/384109042.db2.gz SCLXOTOHUUXHOL-UHFFFAOYSA-N 0 0 204.229 2.591 10 30 BFEERN FC1=C(F)OC(C(F)(F)C(F)(F)F)O1 ZINC000091252121 384111433 /nfs/dbraw/zinc/11/14/33/384111433.db2.gz MARBDIOPLKQPTN-UHFFFAOYSA-N 0 0 226.047 2.623 10 30 BFEERN CC(=O)/C=C/[C@@]12O[C@]1(C)CCCC2(C)C ZINC000015169318 384186350 /nfs/dbraw/zinc/18/63/50/384186350.db2.gz ZTJZJYUGOJYHCU-RXFWDACYSA-N 0 0 208.301 2.869 10 30 endogenous,in-man BFEERN CC[C@H]1CCCC[C@H]1N(C)c1cnc(C#N)cn1 ZINC000126992106 384237611 /nfs/dbraw/zinc/23/76/11/384237611.db2.gz QISHXMAAWBHSSC-WCQYABFASA-N 0 0 244.342 2.753 10 30 BFEERN Cc1cc(SC2CCOCC2)c(C#N)c(C)n1 ZINC000157572566 384222002 /nfs/dbraw/zinc/22/20/02/384222002.db2.gz QGGAYMUOVQWIIT-UHFFFAOYSA-N 0 0 248.351 2.841 10 30 BFEERN O=CCCOc1ccc(Cl)c(Cl)c1 ZINC000011569684 384290765 /nfs/dbraw/zinc/29/07/65/384290765.db2.gz OCEBIPWORSHUFM-UHFFFAOYSA-N 0 0 219.067 2.961 10 30 BFEERN CCOc1cc(C#N)c(F)cc1OC(F)F ZINC000575655175 384351780 /nfs/dbraw/zinc/35/17/80/384351780.db2.gz JNSZTIYAJWHEIQ-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCc1cc(OC(F)F)c(OC)cc1CC#N ZINC000575655866 384357275 /nfs/dbraw/zinc/35/72/75/384357275.db2.gz BSXLCWNTDMVMIC-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN N#Cc1ccc(F)cc1CN1C[C@H]2CCC[C@@H]21 ZINC000335771129 384374341 /nfs/dbraw/zinc/37/43/41/384374341.db2.gz UFKZTBAHEKHFGI-RISCZKNCSA-N 0 0 230.286 2.682 10 30 BFEERN CC(=O)Nc1ccc([C@@H](C)C#N)cc1Cl ZINC000095934875 384412829 /nfs/dbraw/zinc/41/28/29/384412829.db2.gz VHIRLDHNBREVHW-ZETCQYMHSA-N 0 0 222.675 2.925 10 30 BFEERN O=CCCc1ccc(C(F)(F)F)cc1F ZINC000095938091 384416641 /nfs/dbraw/zinc/41/66/41/384416641.db2.gz KMECZJXFYYTEHU-UHFFFAOYSA-N 0 0 220.165 2.976 10 30 BFEERN O=CCCc1cc(F)c(Cl)c(F)c1 ZINC000095938109 384417113 /nfs/dbraw/zinc/41/71/13/384417113.db2.gz UXTVSKFUNRMBSS-UHFFFAOYSA-N 0 0 204.603 2.750 10 30 BFEERN Cc1c(C#N)cc(F)cc1OC(F)F ZINC000575661968 384417413 /nfs/dbraw/zinc/41/74/13/384417413.db2.gz XQCMJNODPDRCKG-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN c1ccc2sc(S[C@@H]3CO3)nc2c1 ZINC000045235759 384383916 /nfs/dbraw/zinc/38/39/16/384383916.db2.gz DKVIMVUONVVHLI-MRVPVSSYSA-N 0 0 209.295 2.745 10 30 BFEERN CCOc1cc(CC#N)c(O)c(C(F)F)c1 ZINC000575667566 384444682 /nfs/dbraw/zinc/44/46/82/384444682.db2.gz QGVVTWYTIOBACL-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN CCOc1c(O)c(CC#N)ccc1C(F)F ZINC000575666841 384438874 /nfs/dbraw/zinc/43/88/74/384438874.db2.gz NAYLQANSGXUZCU-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN CCOc1cc(C(F)(F)F)c(O)cc1C#N ZINC000575670969 384462215 /nfs/dbraw/zinc/46/22/15/384462215.db2.gz QQLCKRMDALFOQG-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN N#CCc1c(Cl)ccc(O)c1Br ZINC000575675403 384478245 /nfs/dbraw/zinc/47/82/45/384478245.db2.gz JCYYZRDDSSOBEV-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN CS/C=C/C[C@@H](O)c1ccc(C#N)cc1 ZINC000033842659 384499001 /nfs/dbraw/zinc/49/90/01/384499001.db2.gz FHRSKJZVDRKHLR-SXSAUCFISA-N 0 0 219.309 2.858 10 30 BFEERN COc1cc(F)c(CC#N)c(Br)c1 ZINC000575689068 384632519 /nfs/dbraw/zinc/63/25/19/384632519.db2.gz KLIISAGKASFTMZ-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN COC(=O)c1ccc(/N=C/C(C)C)cc1 ZINC000100043440 384612410 /nfs/dbraw/zinc/61/24/10/384612410.db2.gz KKNCLVOCNUFJQL-MDWZMJQESA-N 0 0 205.257 2.832 10 30 BFEERN COc1cc(C#N)c(CC#N)cc1C(F)(F)F ZINC000575646676 384624896 /nfs/dbraw/zinc/62/48/96/384624896.db2.gz KIXQPCGHFOIKMF-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN CCOc1c([N+](=O)[O-])ccc(CC)c1CC#N ZINC000575696357 384668466 /nfs/dbraw/zinc/66/84/66/384668466.db2.gz MAOVZBYVOHDNQL-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN CCOc1cc(F)c(CC)cc1CC#N ZINC000575694024 384658621 /nfs/dbraw/zinc/65/86/21/384658621.db2.gz BHOMKEIRHPHAAQ-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN CCOc1cc(CC#N)c(F)cc1CC ZINC000575695161 384661172 /nfs/dbraw/zinc/66/11/72/384661172.db2.gz IOGBNWBGBBZVIF-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN C[C@H](N[C@H]1CCCC[C@@H]1C#N)c1cccnc1 ZINC000054825119 384817938 /nfs/dbraw/zinc/81/79/38/384817938.db2.gz NJGXTYKNLDCVRC-SCRDCRAPSA-N 0 0 229.327 2.815 10 30 BFEERN COc1cc(F)c(SC)c(CC#N)c1 ZINC000575708833 384819552 /nfs/dbraw/zinc/81/95/52/384819552.db2.gz RUCVECJVXBYXST-UHFFFAOYSA-N 0 0 211.261 2.622 10 30 BFEERN CCc1c(N)cc(C(F)(F)F)cc1CC#N ZINC000575718632 384887672 /nfs/dbraw/zinc/88/76/72/384887672.db2.gz MSEXZSHYGILMIW-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN O=CCCc1sccc1Br ZINC000060710404 384859902 /nfs/dbraw/zinc/85/99/02/384859902.db2.gz FZCLEDOSCRLBCN-UHFFFAOYSA-N 0 0 219.103 2.642 10 30 BFEERN N#CCc1cc(Cl)c(Br)cc1N ZINC000575714157 384860691 /nfs/dbraw/zinc/86/06/91/384860691.db2.gz MAQAECJILCZAKW-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN CCc1cc(N)cc(Br)c1CC#N ZINC000575714349 384862671 /nfs/dbraw/zinc/86/26/71/384862671.db2.gz MHGDWINGJFIPJL-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN CO[C@H](C#N)c1ccc(Br)cc1 ZINC000085091171 384915878 /nfs/dbraw/zinc/91/58/78/384915878.db2.gz CZQYQMKOEJRUAQ-SECBINFHSA-N 0 0 226.073 2.660 10 30 BFEERN Cc1cc(N(C)CC2CCC2)c(C#N)c(C)n1 ZINC000157429435 385177870 /nfs/dbraw/zinc/17/78/70/385177870.db2.gz ZBNUVQDYQYDWSE-UHFFFAOYSA-N 0 0 229.327 2.806 10 30 BFEERN C[C@H](NCC#N)C12CC3CC(CC(C3)C1)C2 ZINC000020039574 385275878 /nfs/dbraw/zinc/27/58/78/385275878.db2.gz DCLPZPIMORHRTQ-MWKHJINRSA-N 0 0 218.344 2.704 10 30 BFEERN C[C@H](C#N)N1Cc2ccccc2C(C)(C)C1 ZINC000273253594 385350724 /nfs/dbraw/zinc/35/07/24/385350724.db2.gz YPQUPOWSLAMCFQ-LLVKDONJSA-N 0 0 214.312 2.692 10 30 BFEERN Cc1ccc([C@H](C)NC(=O)NCCCCC#N)o1 ZINC000171738752 385513473 /nfs/dbraw/zinc/51/34/73/385513473.db2.gz ZCBSJFWUUIRHON-NSHDSACASA-N 0 0 249.314 2.642 10 30 BFEERN N#CCc1cc(F)c(F)c(Br)c1 ZINC000258117523 385539192 /nfs/dbraw/zinc/53/91/92/385539192.db2.gz GVPXZRJPKKDSDR-UHFFFAOYSA-N 0 0 232.027 2.793 10 30 BFEERN Cc1c(F)cc(C#N)cc1Br ZINC000258019555 385522110 /nfs/dbraw/zinc/52/21/10/385522110.db2.gz JEGYZTDMEULYSX-UHFFFAOYSA-N 0 0 214.037 2.768 10 30 BFEERN Cc1cc(C)c(Br)c(C#N)c1 ZINC000257978250 385523167 /nfs/dbraw/zinc/52/31/67/385523167.db2.gz DOSXDIMTSWEGLL-UHFFFAOYSA-N 0 0 210.074 2.938 10 30 BFEERN C[C@@H](CC#N)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183515973 385550801 /nfs/dbraw/zinc/55/08/01/385550801.db2.gz YBSSVBPIVINWBG-GRYCIOLGSA-N 0 0 236.359 2.867 10 30 BFEERN N#Cc1c(Cl)cncc1C(F)(F)F ZINC000259618161 385598506 /nfs/dbraw/zinc/59/85/06/385598506.db2.gz GKQXQCYFBZLYJV-UHFFFAOYSA-N 0 0 206.554 2.625 10 30 BFEERN Brc1ccc(N=NCC2CC2)cn1 ZINC000307312374 385849706 /nfs/dbraw/zinc/84/97/06/385849706.db2.gz GOHPOLWJLLLEQM-LFYBBSHMSA-N 0 0 240.104 2.652 10 30 BFEERN N#CCc1ccc(Cl)c(C(F)(F)F)n1 ZINC000307073831 385886643 /nfs/dbraw/zinc/88/66/43/385886643.db2.gz AIZXZMQZZJUELD-UHFFFAOYSA-N 0 0 220.581 2.820 10 30 BFEERN N#C[C@]1(c2ccc(F)cc2)CCCC(=O)C1 ZINC000261508594 386029085 /nfs/dbraw/zinc/02/90/85/386029085.db2.gz VACJKAKEMZPUPM-ZDUSSCGKSA-N 0 0 217.243 2.730 10 30 BFEERN CS[C@@H](C)CNc1cc(C)nc(C)c1C#N ZINC000128810594 386055514 /nfs/dbraw/zinc/05/55/14/386055514.db2.gz MGBCRXDUKCOBRO-VIFPVBQESA-N 0 0 235.356 2.734 10 30 BFEERN O=C(C1=COCC1)c1ccc(Cl)cc1 ZINC000307181929 386128805 /nfs/dbraw/zinc/12/88/05/386128805.db2.gz NNAQDYJULWXTPV-UHFFFAOYSA-N 0 0 208.644 2.827 10 30 BFEERN C[C@H]1CCC[C@@H]1C(=O)N(CC#N)C1CCCC1 ZINC000230058217 386327030 /nfs/dbraw/zinc/32/70/30/386327030.db2.gz DCYZEARANRCUQN-AAEUAGOBSA-N 0 0 234.343 2.717 10 30 BFEERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000061889124 386493470 /nfs/dbraw/zinc/49/34/70/386493470.db2.gz SRSTZRWIEJFLKY-OCCSQVGLSA-N 0 0 242.322 2.726 10 30 BFEERN CC1(C)CCC[C@H](CC(=O)NCCC#N)C1 ZINC000408371590 386515979 /nfs/dbraw/zinc/51/59/79/386515979.db2.gz ZHLHJHBKDUTREP-LLVKDONJSA-N 0 0 222.332 2.623 10 30 BFEERN N#Cc1cnccc1N1CCC12CCCCC2 ZINC000367417282 386517710 /nfs/dbraw/zinc/51/77/10/386517710.db2.gz FAEJQJRDGSHXDX-UHFFFAOYSA-N 0 0 227.311 2.866 10 30 BFEERN CC1(C)CC([C@H]2C[C@@H]2C=O)CC(C)(C)O1 ZINC000521401453 386458831 /nfs/dbraw/zinc/45/88/31/386458831.db2.gz YOCDZAFGWFJUHU-KOLCDFICSA-N 0 0 210.317 2.805 10 30 BFEERN COc1cc(CC#N)c(C(F)(F)F)cc1C#N ZINC000575644602 386584836 /nfs/dbraw/zinc/58/48/36/386584836.db2.gz ACDLEZJJDDRDTJ-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN C=CCSc1nc(C(=O)OCC)cs1 ZINC000095932873 386557201 /nfs/dbraw/zinc/55/72/01/386557201.db2.gz WAIOLWYJXHCWAO-UHFFFAOYSA-N 0 0 229.326 2.598 10 30 BFEERN COC(=O)c1c(F)ccc(C#N)c1C(F)(F)F ZINC000575344851 386711610 /nfs/dbraw/zinc/71/16/10/386711610.db2.gz BNXASOJATBMIBY-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN CCOC(=O)c1cc(C)cc(C(F)F)c1C#N ZINC000575343673 386691166 /nfs/dbraw/zinc/69/11/66/386691166.db2.gz ZJNRFIYQJJHCMX-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN CCOC(=O)c1c(C#N)c(C)ccc1C(F)F ZINC000575343651 386691322 /nfs/dbraw/zinc/69/13/22/386691322.db2.gz VXUZWKAIWYSHTP-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)Cc1c(C#N)cc(C)cc1C(F)F ZINC000575344253 386691785 /nfs/dbraw/zinc/69/17/85/386691785.db2.gz YMPUMFIEANMYED-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN COC(=O)c1cc(F)cc(C#N)c1C(F)(F)F ZINC000575344846 386711980 /nfs/dbraw/zinc/71/19/80/386711980.db2.gz AZUYTQNZXDJFGB-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN COC(=O)c1c(F)ccc(C(F)(F)F)c1C#N ZINC000575344967 386712028 /nfs/dbraw/zinc/71/20/28/386712028.db2.gz KVGXRHWGIYOFLR-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN CC(C)CN=Nc1ccc(Br)nc1 ZINC000306925477 386712589 /nfs/dbraw/zinc/71/25/89/386712589.db2.gz MJHKQTMQKXQMJY-LFYBBSHMSA-N 0 0 242.120 2.898 10 30 BFEERN C=C(C)[C@@H](O)c1cc(N)cc(Br)c1 ZINC000575454392 386829638 /nfs/dbraw/zinc/82/96/38/386829638.db2.gz JDWJKVYIGZVKOY-SNVBAGLBSA-N 0 0 242.116 2.641 10 30 BFEERN C=CCOc1nc2ccccc2cc1C=O ZINC000040177218 386836102 /nfs/dbraw/zinc/83/61/02/386836102.db2.gz WJYCQCHYZKKVGE-UHFFFAOYSA-N 0 0 213.236 2.612 10 30 BFEERN CCOC(=O)Cc1cc(CC)cc(C#N)c1CC ZINC000575385317 386943954 /nfs/dbraw/zinc/94/39/54/386943954.db2.gz KOGSENCVRLWKTK-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)c1c(CC)cc(C#N)cc1CC ZINC000575385624 386944827 /nfs/dbraw/zinc/94/48/27/386944827.db2.gz VFDHLYGDCJFQIO-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)c1ccc(F)c(C(F)F)c1C#N ZINC000575389448 386953160 /nfs/dbraw/zinc/95/31/60/386953160.db2.gz INIJBJGYIREUCH-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)Cc1cc(C)c(C#N)cc1CC ZINC000575389089 386953487 /nfs/dbraw/zinc/95/34/87/386953487.db2.gz WYGGIVRXJFDIMN-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1ccc(C#N)c(C(F)F)c1C(=O)OC ZINC000575389775 386955166 /nfs/dbraw/zinc/95/51/66/386955166.db2.gz RHEFNEXWYJYWIM-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN COC(=O)c1ccc(C(F)(F)F)c(F)c1C#N ZINC000575390479 386960893 /nfs/dbraw/zinc/96/08/93/386960893.db2.gz PCKWDOZWSDYYEE-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN COC(=O)c1cc(C)c(C(F)(F)F)cc1C#N ZINC000575394304 386991904 /nfs/dbraw/zinc/99/19/04/386991904.db2.gz BCBRVERBWFWCGD-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1cc(C#N)c(C)cc1C(F)(F)F ZINC000575394319 386992742 /nfs/dbraw/zinc/99/27/42/386992742.db2.gz CPOHDVLHRZQCPQ-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1c(C#N)ccc(C)c1C(F)(F)F ZINC000575394361 386992829 /nfs/dbraw/zinc/99/28/29/386992829.db2.gz FRMJGWGPZRAJDC-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN CN(C)c1cc(CC#N)ccc1OC(F)(F)F ZINC000575396955 387001995 /nfs/dbraw/zinc/00/19/95/387001995.db2.gz BEYOCFMRXRXHAK-UHFFFAOYSA-N 0 0 244.216 2.717 10 30 BFEERN Cc1cc(C#N)ccc1N1C[C@H]2CC[C@@H]1C2 ZINC000049716821 387005712 /nfs/dbraw/zinc/00/57/12/387005712.db2.gz XWVMEZAXUCNDLO-QWHCGFSZSA-N 0 0 212.296 2.855 10 30 BFEERN COC(=O)c1ccc(C(F)(F)F)c(C#N)c1F ZINC000575390410 386951491 /nfs/dbraw/zinc/95/14/91/386951491.db2.gz JNGWJBQHCQPIDO-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN Cc1ccc(OC(F)F)c(CC#N)c1C ZINC000575655276 387039576 /nfs/dbraw/zinc/03/95/76/387039576.db2.gz WZXWSASDKYQJQD-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN CCOc1cc(F)c(C#N)c(OC(F)F)c1 ZINC000575657637 387042143 /nfs/dbraw/zinc/04/21/43/387042143.db2.gz YHBIWVYVNIDACR-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1cc(OC(F)F)cc(F)c1CC#N ZINC000575657235 387043762 /nfs/dbraw/zinc/04/37/62/387043762.db2.gz REVFGGKDOWAEEO-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCOc1ccc(C#N)c(OC(F)F)c1F ZINC000575657258 387044274 /nfs/dbraw/zinc/04/42/74/387044274.db2.gz SUTDVGUPTFIYTJ-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1c(C#N)c(F)ccc1OC(F)F ZINC000575657818 387044280 /nfs/dbraw/zinc/04/42/80/387044280.db2.gz ZLPQNPZIWIWNQU-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN COc1cc(CC#N)cc(F)c1OC(F)F ZINC000575659174 387049148 /nfs/dbraw/zinc/04/91/48/387049148.db2.gz DDHKZNHHHIPTBB-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN CCOc1cc(C)c(C#N)cc1OC(F)F ZINC000575659055 387049242 /nfs/dbraw/zinc/04/92/42/387049242.db2.gz YOAULSRYFJLGLP-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1cc(CC#N)cc(OC(F)F)c1F ZINC000575657952 387051445 /nfs/dbraw/zinc/05/14/45/387051445.db2.gz YOODXOUPQGYTNG-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN N#Cc1c(F)nccc1-c1ccccc1F ZINC000575434425 387058648 /nfs/dbraw/zinc/05/86/48/387058648.db2.gz WXDOVXJWSGAYTA-UHFFFAOYSA-N 0 0 216.190 2.898 10 30 BFEERN Cc1cc(OC(F)F)cc(F)c1CC#N ZINC000575661123 387060160 /nfs/dbraw/zinc/06/01/60/387060160.db2.gz JMTZHTQVEGBGCO-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN Cc1cc(CC#N)c(OC(F)F)cc1F ZINC000575661364 387060293 /nfs/dbraw/zinc/06/02/93/387060293.db2.gz MQXXNDOSNSIKSO-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN C[C@H]1CSC(Nc2cccc(F)c2)=N1 ZINC000035294908 387070827 /nfs/dbraw/zinc/07/08/27/387070827.db2.gz QRCLVKNEYUAZOY-ZETCQYMHSA-N 0 0 210.277 2.538 10 30 BFEERN C/C=C/C(=O)c1coc(Br)c1 ZINC000575471277 387106694 /nfs/dbraw/zinc/10/66/94/387106694.db2.gz ORSXCIBBZXQMCT-NSCUHMNNSA-N 0 0 215.046 2.801 10 30 BFEERN O=C(/C=C/Cl)[C@@H]1CCCSCC1 ZINC000575471768 387108340 /nfs/dbraw/zinc/10/83/40/387108340.db2.gz ISAYHUAGJWCOPI-RYEJSQLPSA-N 0 0 204.722 2.841 10 30 BFEERN N#Cc1cc(NCCF)ccc1Br ZINC000575479146 387158698 /nfs/dbraw/zinc/15/86/98/387158698.db2.gz FNACAPJARLNXEL-UHFFFAOYSA-N 0 0 243.079 2.702 10 30 BFEERN N#C[C@@]1(c2cccc(Cl)c2)CCCOC1 ZINC000536949418 387160782 /nfs/dbraw/zinc/16/07/82/387160782.db2.gz ASDKYANBJYLLHM-LBPRGKRZSA-N 0 0 221.687 2.912 10 30 BFEERN COc1c(OC(F)F)ccc(C)c1CC#N ZINC000575664606 387310862 /nfs/dbraw/zinc/31/08/62/387310862.db2.gz JKKMKTAHGIOCQV-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN COc1cc(C)c(OC(F)F)c(CC#N)c1 ZINC000575664762 387310909 /nfs/dbraw/zinc/31/09/09/387310909.db2.gz KULVNRDUPBZNDT-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN CCOc1c(O)cc(CC#N)cc1C(F)F ZINC000575666133 387313233 /nfs/dbraw/zinc/31/32/33/387313233.db2.gz KNMMYOKOQXPRJK-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN Cc1ccc(O)c(Br)c1CC#N ZINC000575691724 387379258 /nfs/dbraw/zinc/37/92/58/387379258.db2.gz QECKPFHZCWAELF-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN N#Cc1cc(F)c(C(F)F)cc1[N+](=O)[O-] ZINC000575669655 387329740 /nfs/dbraw/zinc/32/97/40/387329740.db2.gz HZHMJSQDOOFBDC-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN CCOc1c(C#N)cc(O)cc1C(F)(F)F ZINC000575670616 387334028 /nfs/dbraw/zinc/33/40/28/387334028.db2.gz PCBDQMMGJNADFJ-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN CCOc1cc(C#N)c(O)cc1C(F)(F)F ZINC000575670566 387334629 /nfs/dbraw/zinc/33/46/29/387334629.db2.gz MFYAPXUWMNKNCB-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN Cc1cc([N+](=O)[O-])c(C(F)F)cc1C#N ZINC000575670888 387336124 /nfs/dbraw/zinc/33/61/24/387336124.db2.gz DRFZCNGZKXDWLP-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN Cc1cc(C#N)c(C(F)F)cc1[N+](=O)[O-] ZINC000575670802 387336418 /nfs/dbraw/zinc/33/64/18/387336418.db2.gz CJZJWEBNOWNRRI-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN CCc1cc(C(F)(F)F)cc(O)c1C#N ZINC000575672842 387339103 /nfs/dbraw/zinc/33/91/03/387339103.db2.gz QHMSLGMWIWINCL-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN Cc1cc(CC#N)c(C(F)(F)F)c([N+](=O)[O-])c1 ZINC000575673205 387341456 /nfs/dbraw/zinc/34/14/56/387341456.db2.gz DRZFSLGRGBBNPL-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN Cc1c(CC#N)cc([N+](=O)[O-])cc1C(F)(F)F ZINC000575674402 387344330 /nfs/dbraw/zinc/34/43/30/387344330.db2.gz RQGRHVCDYPIRAN-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN CNc1c(C#N)cnc2c(C)cc(F)cc21 ZINC000050842335 387349138 /nfs/dbraw/zinc/34/91/38/387349138.db2.gz BWCUVNYBHUEDQW-UHFFFAOYSA-N 0 0 215.231 2.596 10 30 BFEERN Cc1cc(C(F)(F)F)cc(N)c1CC#N ZINC000575720369 387441823 /nfs/dbraw/zinc/44/18/23/387441823.db2.gz VCGJKJNYRPRRNJ-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN CCOc1cc(CC#N)cc(CC)c1F ZINC000575696411 387397554 /nfs/dbraw/zinc/39/75/54/387397554.db2.gz PATZOZDSDJKTEN-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN COc1c(CC#N)ccc(F)c1C(F)(F)F ZINC000575708305 387412057 /nfs/dbraw/zinc/41/20/57/387412057.db2.gz PHGIBSAVZYCCOM-UHFFFAOYSA-N 0 0 233.164 2.919 10 30 BFEERN COc1c(F)cc(OC(F)(F)F)cc1CC#N ZINC000575708295 387412458 /nfs/dbraw/zinc/41/24/58/387412458.db2.gz MHAAOIGHYMBJOL-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN COC(=O)c1cc(C(F)F)c(C#N)cc1Cl ZINC000575712093 387414924 /nfs/dbraw/zinc/41/49/24/387414924.db2.gz FFLIEZVIJCSXEA-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN COC(=O)c1cc(C(F)F)c(Cl)cc1C#N ZINC000575713318 387417510 /nfs/dbraw/zinc/41/75/10/387417510.db2.gz SUJLPIZGQIQESV-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN COC(=O)c1cc(C(F)F)cc(Cl)c1C#N ZINC000575713749 387418468 /nfs/dbraw/zinc/41/84/68/387418468.db2.gz ZIIIOVUGJCCBGY-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN CCc1c(Br)cc(N)cc1CC#N ZINC000575714068 387419243 /nfs/dbraw/zinc/41/92/43/387419243.db2.gz KGFGQZGOWLDQDR-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN CCc1c(CC#N)cc(N)cc1C(F)(F)F ZINC000575717933 387422605 /nfs/dbraw/zinc/42/26/05/387422605.db2.gz DSHLCWVHPPTSLJ-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN C[C@H]1CC[C@](C#N)(NCc2ccccc2)CS1 ZINC000575534702 387574693 /nfs/dbraw/zinc/57/46/93/387574693.db2.gz MLGWQPCDLGTKLF-GXTWGEPZSA-N 0 0 246.379 2.954 10 30 BFEERN CC=CC(=O)[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000575548152 387643140 /nfs/dbraw/zinc/64/31/40/387643140.db2.gz ARCMAYVDACKHIM-WYOYIEJBSA-N 0 0 216.371 2.757 10 30 BFEERN CCOc1cccc(CN[C@@H]2CCC[C@H]2C#N)c1 ZINC000054825523 387829171 /nfs/dbraw/zinc/82/91/71/387829171.db2.gz JRGLZXMUDLOWKC-DZGCQCFKSA-N 0 0 244.338 2.867 10 30 BFEERN Cc1cc(OC(F)F)c(C#N)cc1CC#N ZINC000575640528 387840159 /nfs/dbraw/zinc/84/01/59/387840159.db2.gz IYEBKJIVYAHIGN-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1C ZINC000061888617 387848675 /nfs/dbraw/zinc/84/86/75/387848675.db2.gz HWUSMLSHGRMXBJ-GXTWGEPZSA-N 0 0 242.322 2.726 10 30 BFEERN COc1cc(C#N)c(C(F)F)cc1CC#N ZINC000575643555 387855489 /nfs/dbraw/zinc/85/54/89/387855489.db2.gz QZDJHBFPIUMXHA-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN COc1c(CC#N)cc(C#N)cc1C(F)F ZINC000575642910 387866461 /nfs/dbraw/zinc/86/64/61/387866461.db2.gz KCRGAUXEYXIXLD-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN C[C@H]1CCC[C@H]1C(=O)N(C)c1ccccc1C#N ZINC000230059767 387868233 /nfs/dbraw/zinc/86/82/33/387868233.db2.gz YZJBLMWQUDEAQG-WCQYABFASA-N 0 0 242.322 2.957 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)NCc1cccc(C#N)c1 ZINC000230055040 387868412 /nfs/dbraw/zinc/86/84/12/387868412.db2.gz SUWUCYHOIWIRQG-BXUZGUMPSA-N 0 0 242.322 2.611 10 30 BFEERN COc1c(CC#N)ccc(C#N)c1C(F)F ZINC000575643869 387869014 /nfs/dbraw/zinc/86/90/14/387869014.db2.gz VQMPCVXXNOFDAB-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN CCc1cc(C#N)cc(CC)c1[N+](=O)[O-] ZINC000575652037 387874737 /nfs/dbraw/zinc/87/47/37/387874737.db2.gz JFNXORYTJVYCEQ-UHFFFAOYSA-N 0 0 204.229 2.591 10 30 BFEERN N#Cc1nccc(OC(F)(F)F)c1Cl ZINC000238537602 387872117 /nfs/dbraw/zinc/87/21/17/387872117.db2.gz NDFGDHLRJATMNM-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#CCc1cc(OC(F)(F)F)c(Cl)cn1 ZINC000238528247 387872266 /nfs/dbraw/zinc/87/22/66/387872266.db2.gz ZZXIJHOKZNHLNB-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN CCc1c(C#N)cc(F)cc1OC(F)F ZINC000575653548 387895825 /nfs/dbraw/zinc/89/58/25/387895825.db2.gz JWYUNQQKYAJHGS-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1cc(OC(F)F)c(C#N)cc1F ZINC000575653785 387896430 /nfs/dbraw/zinc/89/64/30/387896430.db2.gz OQHNWGUPQDQKDD-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1cc(F)c(OC(F)F)c(C#N)c1 ZINC000575653717 387896525 /nfs/dbraw/zinc/89/65/25/387896525.db2.gz MNRGFKUWPRGAHE-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN N#CCc1c(C#N)cc(F)cc1OC(F)(F)F ZINC000575645063 387875079 /nfs/dbraw/zinc/87/50/79/387875079.db2.gz CRELYZBEJAGKMJ-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN COc1c(C#N)c(C(F)(F)F)ccc1CC#N ZINC000575646005 387878050 /nfs/dbraw/zinc/87/80/50/387878050.db2.gz HBERSLWUSVLDHC-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN N#CCc1c(F)cc(C#N)cc1C(F)(F)F ZINC000575649498 387888595 /nfs/dbraw/zinc/88/85/95/387888595.db2.gz RIKROBWHYORTFP-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN C=CC[N@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195323517 387918670 /nfs/dbraw/zinc/91/86/70/387918670.db2.gz OYCYAERSSJJDAL-NSHDSACASA-N 0 0 222.357 2.817 10 30 BFEERN N#CCCC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195348378 387919070 /nfs/dbraw/zinc/91/90/70/387919070.db2.gz GYILRUZXWFWLLZ-NSHDSACASA-N 0 0 235.356 2.626 10 30 BFEERN CCc1cc([N+](=O)[O-])cc(C#N)c1CC ZINC000575652313 387900801 /nfs/dbraw/zinc/90/08/01/387900801.db2.gz PEYGNYYENHEAEB-UHFFFAOYSA-N 0 0 204.229 2.591 10 30 BFEERN C#C[C@H](NC(=O)[C@@H]1CCC[C@H]1C)C(C)(C)C ZINC000491307024 388281860 /nfs/dbraw/zinc/28/18/60/388281860.db2.gz OMCPPQFXLLYCLD-UTUOFQBUSA-N 0 0 221.344 2.587 10 30 BFEERN C[C@@H](Nc1ccc(C#N)nc1)c1ccco1 ZINC000131885794 388353517 /nfs/dbraw/zinc/35/35/17/388353517.db2.gz BXUMXRPFMTYSKS-SECBINFHSA-N 0 0 213.240 2.719 10 30 BFEERN Cc1cccc(C)c1NC(=O)N=C1CCCN1C ZINC000254815336 388368433 /nfs/dbraw/zinc/36/84/33/388368433.db2.gz PAXRPWSXCPTPCA-UHFFFAOYSA-N 0 0 245.326 2.959 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1cnccc1C#N ZINC000091729593 388396602 /nfs/dbraw/zinc/39/66/02/388396602.db2.gz RYAUKDMYHRQSED-KOLCDFICSA-N 0 0 201.273 2.554 10 30 BFEERN Cc1cc(C)c(C#N)cc1Br ZINC000039108933 388407643 /nfs/dbraw/zinc/40/76/43/388407643.db2.gz MUESXHWNYAMOEX-UHFFFAOYSA-N 0 0 210.074 2.938 10 30 BFEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)CC1CC1 ZINC000122706284 388422506 /nfs/dbraw/zinc/42/25/06/388422506.db2.gz JIIUAMDZIRVIFX-LLVKDONJSA-N 0 0 242.322 2.785 10 30 BFEERN CC(C)(C)C[C@H]1CCCN1c1nccnc1C#N ZINC000301146697 388609284 /nfs/dbraw/zinc/60/92/84/388609284.db2.gz BBHITWZHLZQBLT-LLVKDONJSA-N 0 0 244.342 2.753 10 30 BFEERN COC(=O)c1c(C#N)ccc(F)c1C(F)(F)F ZINC000575390340 388573305 /nfs/dbraw/zinc/57/33/05/388573305.db2.gz AYECXKUBTHXNQL-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN N#Cc1nccc2c(F)cc(F)c(F)c12 ZINC000521401716 388672442 /nfs/dbraw/zinc/67/24/42/388672442.db2.gz NHHWPIKARBHEPN-UHFFFAOYSA-N 0 0 208.142 2.524 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1ccc(C)c(C#N)n1 ZINC000302672116 388623805 /nfs/dbraw/zinc/62/38/05/388623805.db2.gz RXLOUEDLCGILCN-WDEREUQCSA-N 0 0 215.300 2.862 10 30 BFEERN CCC[C@@H]1C[C@H]1Nc1nccc(C)c1C#N ZINC000230080678 388633024 /nfs/dbraw/zinc/63/30/24/388633024.db2.gz ZMMPRHVMCMMLFY-ZYHUDNBSSA-N 0 0 215.300 2.862 10 30 BFEERN Cc1ccsc1C=Nc1ccc(C(N)=O)cc1 ZINC000254317784 388659606 /nfs/dbraw/zinc/65/96/06/388659606.db2.gz CRUXKDXFBYKRQL-UHFFFAOYSA-N 0 0 244.319 2.906 10 30 BFEERN O=CC1c2ccccc2Cc2ccccc21 ZINC000020198425 388757915 /nfs/dbraw/zinc/75/79/15/388757915.db2.gz LLTWJNGKQZXPFZ-UHFFFAOYSA-N 0 0 208.260 2.922 10 30 BFEERN CC[C@H](Nc1cccc(C#N)n1)C(C)C ZINC000080118285 388707520 /nfs/dbraw/zinc/70/75/20/388707520.db2.gz MKOLYQOMAYXEJW-NSHDSACASA-N 0 0 203.289 2.800 10 30 BFEERN CCOC(=O)c1c(C)cc(C(F)F)cc1C#N ZINC000575343658 388811620 /nfs/dbraw/zinc/81/16/20/388811620.db2.gz WVKONHUVOIOFLZ-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN Cc1ccnc(N[C@@H](C)C(C)C)c1C#N ZINC000124881665 388759348 /nfs/dbraw/zinc/75/93/48/388759348.db2.gz NGUTVJLLSSMZAZ-JTQLQIEISA-N 0 0 203.289 2.718 10 30 BFEERN N#Cc1c(F)ccc(N)c1OCc1ccccc1 ZINC000575456582 388786914 /nfs/dbraw/zinc/78/69/14/388786914.db2.gz HBTQMKBKVLMEPV-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN COC(=O)c1c(F)c(C#N)ccc1C(F)(F)F ZINC000575345096 388844374 /nfs/dbraw/zinc/84/43/74/388844374.db2.gz WQZNUHIEVYDTBW-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN COC(=O)Cc1cc(C#N)c(C(F)F)cc1C ZINC000575344248 388841716 /nfs/dbraw/zinc/84/17/16/388841716.db2.gz YGWKEVKIOIROAO-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN C=C(C)C(=O)c1ncsc1Br ZINC000575479296 388861536 /nfs/dbraw/zinc/86/15/36/388861536.db2.gz YPMXIHDKJHPIRX-UHFFFAOYSA-N 0 0 232.102 2.664 10 30 BFEERN C=C[C@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000575513626 389024434 /nfs/dbraw/zinc/02/44/34/389024434.db2.gz HCLMXHUOJKCDFH-QMMMGPOBSA-N 0 0 218.083 2.795 10 30 BFEERN CCC[C@@]1(C)CCCN(c2nccc(C#N)n2)C1 ZINC000297114247 132221446 /nfs/dbraw/zinc/22/14/46/132221446.db2.gz LZLAIMVAWYHYHD-AWEZNQCLSA-N 0 0 244.342 2.755 10 30 BFEERN CC(C)C[C@@H]1CCCCN1c1nccc(C#N)n1 ZINC000297456300 132221585 /nfs/dbraw/zinc/22/15/85/132221585.db2.gz JSYLZZZYBORESC-ZDUSSCGKSA-N 0 0 244.342 2.753 10 30 BFEERN C[C@@H]1CCc2ccccc2N1CCC#N ZINC000019802786 132327318 /nfs/dbraw/zinc/32/73/18/132327318.db2.gz HOKAMJXPHMQNHX-LLVKDONJSA-N 0 0 200.285 2.741 10 30 BFEERN CC[C@@H]1CCCCN1c1ccc(C#N)cc1N ZINC000035674672 132339146 /nfs/dbraw/zinc/33/91/46/132339146.db2.gz SOQYOPYPDNMEPS-GFCCVEGCSA-N 0 0 229.327 2.909 10 30 BFEERN CC(=O)c1ccc(N2CCCC[C@@H]2C=O)c(F)c1 ZINC000054268343 132363873 /nfs/dbraw/zinc/36/38/73/132363873.db2.gz PEJKJNGRYYNRFF-GFCCVEGCSA-N 0 0 249.285 2.586 10 30 BFEERN Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1C[C@@H]1C ZINC000330016204 133993929 /nfs/dbraw/zinc/99/39/29/133993929.db2.gz PENRDRYXRSCVLM-OIBJUYFYSA-N 0 0 234.299 2.649 10 30 BFEERN N#Cc1cnc(N2C[C@H]3CCC[C@@H]32)c(Cl)c1 ZINC000336000079 134046744 /nfs/dbraw/zinc/04/67/44/134046744.db2.gz RRRLVZWOWTZDIR-KOLCDFICSA-N 0 0 233.702 2.595 10 30 BFEERN N#C[C@]1(c2nc(C3CC3)no2)CC12CCCC2 ZINC000333877339 134139895 /nfs/dbraw/zinc/13/98/95/134139895.db2.gz VRAAGMODXOPBKV-ZDUSSCGKSA-N 0 0 229.283 2.672 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)NC1CCCCCC1 ZINC000336620911 134151970 /nfs/dbraw/zinc/15/19/70/134151970.db2.gz UKVUITTWOHKVSM-DGCLKSJQSA-N 0 0 249.358 2.701 10 30 BFEERN N#CC1(C(=O)N2C[C@H]3CCCCC[C@H]32)CCCC1 ZINC000370244746 134225190 /nfs/dbraw/zinc/22/51/90/134225190.db2.gz RCAHXLVMYUFNRX-CHWSQXEVSA-N 0 0 246.354 2.861 10 30 BFEERN COc1ccc([C@@H]2C[C@@H](C)N([C@@H](C)C#N)C2)cc1 ZINC000181898223 134339914 /nfs/dbraw/zinc/33/99/14/134339914.db2.gz KUKXCWNZTDEJIK-MBNYWOFBSA-N 0 0 244.338 2.785 10 30 BFEERN C=CCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183455146 134351352 /nfs/dbraw/zinc/35/13/52/134351352.db2.gz YBWAAGXWPPZBKI-MNOVXSKESA-N 0 0 209.333 2.751 10 30 BFEERN Cc1ccccc1[C@H](C)NC(=O)C1(C#N)CCC1 ZINC000083795001 134419548 /nfs/dbraw/zinc/41/95/48/134419548.db2.gz SHEBQMQXKXIHDJ-LBPRGKRZSA-N 0 0 242.322 2.866 10 30 BFEERN CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000228999257 134436713 /nfs/dbraw/zinc/43/67/13/134436713.db2.gz ISDVSJFSGBATEO-IJLUTSLNSA-N 0 0 234.343 2.621 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000230176674 134487121 /nfs/dbraw/zinc/48/71/21/134487121.db2.gz POTBDSMIWQLRAI-NEPJUHHUSA-N 0 0 234.343 2.575 10 30 BFEERN CC[C@](C)(C#N)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000136209709 134787189 /nfs/dbraw/zinc/78/71/89/134787189.db2.gz USHFEIFLITUTCH-GXFFZTMASA-N 0 0 234.299 2.705 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)CC1CCCCC1 ZINC000061888783 134804708 /nfs/dbraw/zinc/80/47/08/134804708.db2.gz XEIDCHOAYOKFEX-CHWSQXEVSA-N 0 0 234.343 2.765 10 30 BFEERN N#CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000302669900 134859836 /nfs/dbraw/zinc/85/98/36/134859836.db2.gz DHGWBMPYBMYLFS-UHFFFAOYSA-N 0 0 246.053 2.837 10 30 BFEERN C[C@H](C#N)N1CCC(OCc2ccccc2)CC1 ZINC000193312341 134958039 /nfs/dbraw/zinc/95/80/39/134958039.db2.gz GHKLSGMAMQZZFB-CYBMUJFWSA-N 0 0 244.338 2.580 10 30 BFEERN Cc1nc(C)c(CN[C@@H]2CCC[C@@H]2C#N)s1 ZINC000084148980 135187297 /nfs/dbraw/zinc/18/72/97/135187297.db2.gz ABTHVQZPAPKCMM-GHMZBOCLSA-N 0 0 235.356 2.542 10 30 BFEERN Cc1scc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1C ZINC000334234534 135398860 /nfs/dbraw/zinc/39/88/60/135398860.db2.gz ZVOKXGISVQCKHC-CMPLNLGQSA-N 0 0 248.351 2.787 10 30 BFEERN CC1(C)CCCN(CC(F)(F)F)[C@@H]1C#N ZINC000335236180 135969106 /nfs/dbraw/zinc/96/91/06/135969106.db2.gz MMUVZTRFANNOKE-MRVPVSSYSA-N 0 0 220.238 2.563 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1ccc(Cl)cn1 ZINC000335285254 136002305 /nfs/dbraw/zinc/00/23/05/136002305.db2.gz SISSDTPUDMQIHB-BXKDBHETSA-N 0 0 235.718 2.517 10 30 BFEERN CC(C)CCOc1ccc(C#N)cc1N ZINC000035674917 166882242 /nfs/dbraw/zinc/88/22/42/166882242.db2.gz CUHQUWLSMIKXSA-UHFFFAOYSA-N 0 0 204.273 2.565 10 30 BFEERN O=C(/C=C/c1ccc[nH]1)c1ccsc1 ZINC000098084221 397812416 /nfs/dbraw/zinc/81/24/16/397812416.db2.gz DISNJINQPBXMFW-ONEGZZNKSA-N 0 0 203.266 2.972 10 30 BFEERN C[C@]1(c2cccc(C#N)c2)C=CC(=O)CC1 ZINC000021988571 397992351 /nfs/dbraw/zinc/99/23/51/397992351.db2.gz GJUZBFWYTYYOPJ-AWEZNQCLSA-N 0 0 211.264 2.735 10 30 BFEERN Cc1cc(CC#N)c(C(F)(F)F)cc1N ZINC000575720506 398064552 /nfs/dbraw/zinc/06/45/52/398064552.db2.gz YBEQLMWGPJXUCX-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN C=CCCN(CC/C=N/O)C(=O)OC(C)(C)C ZINC000584658152 398081931 /nfs/dbraw/zinc/08/19/31/398081931.db2.gz KHMBZEIMCXWDON-MDWZMJQESA-N 0 0 242.319 2.650 10 30 BFEERN Cc1cc(F)ccc1CN[C@@H]1CCC[C@H]1C#N ZINC000061892568 398107601 /nfs/dbraw/zinc/10/76/01/398107601.db2.gz LYZDCPLCVPPSPX-SMDDNHRTSA-N 0 0 232.302 2.916 10 30 BFEERN CCOc1ccccc1CN[C@@H]1CCC[C@@H]1C#N ZINC000061891059 398107981 /nfs/dbraw/zinc/10/79/81/398107981.db2.gz ZMTGZNHCPROFFW-TZMCWYRMSA-N 0 0 244.338 2.867 10 30 BFEERN CC(C)N[C@@H](C#N)c1ccc(O)c(Cl)c1 ZINC000043488957 167129695 /nfs/dbraw/zinc/12/96/95/167129695.db2.gz VJRJJDLMNQIVIV-JTQLQIEISA-N 0 0 224.691 2.608 10 30 BFEERN C#CC(C)(C)Oc1ccc2ccc(=O)oc2c1 ZINC000026395754 166113965 /nfs/dbraw/zinc/11/39/65/166113965.db2.gz BHDRZDUUHXZZPQ-UHFFFAOYSA-N 0 0 228.247 2.584 10 30 BFEERN CC(=O)c1cncc(C#Cc2ccccc2)c1 ZINC000116293608 409668317 /nfs/dbraw/zinc/66/83/17/409668317.db2.gz IJMHSZUQGSDYOC-UHFFFAOYSA-N 0 0 221.259 2.684 10 30 BFEERN Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1CC#N ZINC000575675509 409901591 /nfs/dbraw/zinc/90/15/91/409901591.db2.gz VCAOOAAZWOYWJJ-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN C(#Cc1cccnc1)c1c[nH]c2ccccc12 ZINC000072142881 166225098 /nfs/dbraw/zinc/22/50/98/166225098.db2.gz RJDQEUGUODPOCT-UHFFFAOYSA-N 0 0 218.259 2.963 10 30 BFEERN C=CC[N@H+](CCCCCC)CCCC(=O)[O-] ZINC000040541632 166341419 /nfs/dbraw/zinc/34/14/19/166341419.db2.gz INLCFOSQEFSSBD-UHFFFAOYSA-N 0 0 227.348 2.920 10 30 BFEERN C=CCNCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000041612840 166398817 /nfs/dbraw/zinc/39/88/17/166398817.db2.gz IQWQYLGNGWBKRU-UHFFFAOYSA-N 0 0 231.339 2.942 10 30 BFEERN O=C(Cc1ccncc1Cl)C1=CCCC1 ZINC000236056969 410568440 /nfs/dbraw/zinc/56/84/40/410568440.db2.gz DSAVYUHPGLVFOY-UHFFFAOYSA-N 0 0 221.687 2.957 10 30 BFEERN CC(C)CN(c1ccccc1/C(N)=N/O)C(C)C ZINC000042583597 166961192 /nfs/dbraw/zinc/96/11/92/166961192.db2.gz AEACQYXKLKZDOA-UHFFFAOYSA-N 0 0 249.358 2.652 10 30 BFEERN CC(C)CN[C@H](C#N)c1ccc(F)cc1F ZINC000037939183 167013559 /nfs/dbraw/zinc/01/35/59/167013559.db2.gz WSCMVWVZCZLEFH-GFCCVEGCSA-N 0 0 224.254 2.775 10 30 BFEERN CC(C)N[C@@H](C#N)c1cccc(Cl)c1 ZINC000020173876 167129455 /nfs/dbraw/zinc/12/94/55/167129455.db2.gz ZKJHRJAIRBEJCR-NSHDSACASA-N 0 0 208.692 2.903 10 30 BFEERN CC(C)Oc1cc(C#N)cc(OC2CC2)c1 ZINC000095720316 167285307 /nfs/dbraw/zinc/28/53/07/167285307.db2.gz GTOZTXRUQVEBNQ-UHFFFAOYSA-N 0 0 217.268 2.887 10 30 BFEERN CC(C)Oc1ccc(OC2CC2)cc1C#N ZINC000095724302 167297459 /nfs/dbraw/zinc/29/74/59/167297459.db2.gz LLFYMTCYBOLTOS-UHFFFAOYSA-N 0 0 217.268 2.887 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)Nc1ccccc1F ZINC000044811071 167340454 /nfs/dbraw/zinc/34/04/54/167340454.db2.gz QOUNZDCYEFVJCU-SECBINFHSA-N 0 0 220.247 2.560 10 30 BFEERN CC(C)[C@@H](C#N)NCCCc1ccccc1 ZINC000057497972 167340479 /nfs/dbraw/zinc/34/04/79/167340479.db2.gz LZWKEEWUFGSPLW-CQSZACIVSA-N 0 0 216.328 2.757 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)N[C@H](C)c1cccs1 ZINC000044822930 167340550 /nfs/dbraw/zinc/34/05/50/167340550.db2.gz MDHBVHSZANURRA-NXEZZACHSA-N 0 0 236.340 2.721 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)NC1CCCCCC1 ZINC000044814670 167340966 /nfs/dbraw/zinc/34/09/66/167340966.db2.gz ZMPUJRLUJIJOFM-GFCCVEGCSA-N 0 0 222.332 2.621 10 30 BFEERN CCN(CC)[C@@H](C#N)c1cccc(C)c1 ZINC000019934123 169795317 /nfs/dbraw/zinc/79/53/17/169795317.db2.gz GBDNQQVIXCZCOK-ZDUSSCGKSA-N 0 0 202.301 2.902 10 30 BFEERN C=C[C@@H](C(=O)[O-])[NH+]1CCC2(CCCCC2)CC1 ZINC000304230838 411354920 /nfs/dbraw/zinc/35/49/20/411354920.db2.gz RXBBSQFZZIQNFB-LBPRGKRZSA-N 0 0 237.343 2.672 10 30 BFEERN CC1=CC(=O)N(O)[C@@H](C2CCCCC2)C1 ZINC000071789433 168091916 /nfs/dbraw/zinc/09/19/16/168091916.db2.gz CLJFISYTVWVUGS-LLVKDONJSA-N 0 0 209.289 2.503 10 30 BFEERN CCC(C)(C)Oc1ccc(N)cc1C#N ZINC000041021530 168304455 /nfs/dbraw/zinc/30/44/55/168304455.db2.gz AVSWZHPJWQUSSX-UHFFFAOYSA-N 0 0 204.273 2.708 10 30 BFEERN CCNC1=CC(=O)C[C@H](c2ccc(C)cc2)C1 ZINC000058836383 170108159 /nfs/dbraw/zinc/10/81/59/170108159.db2.gz IVMWYBPMCOITGX-CYBMUJFWSA-N 0 0 229.323 2.935 10 30 BFEERN CCN[C@@H](C#N)CCOc1cccc(CC)c1 ZINC000062443957 170137592 /nfs/dbraw/zinc/13/75/92/170137592.db2.gz KGJBPIRHIHXIDZ-CYBMUJFWSA-N 0 0 232.327 2.520 10 30 BFEERN CCN[C@H](C#N)c1ccc(SC)cc1 ZINC000034958890 170155750 /nfs/dbraw/zinc/15/57/50/170155750.db2.gz XQFPIKDJHUMWRX-LLVKDONJSA-N 0 0 206.314 2.583 10 30 BFEERN CCN[C@H](C#N)CCN(CC)c1ccccc1F ZINC000062438625 170155922 /nfs/dbraw/zinc/15/59/22/170155922.db2.gz MMOMDYUBJJVAIT-LBPRGKRZSA-N 0 0 249.333 2.544 10 30 BFEERN CCN[C@](C)(C#N)c1cccc(Cl)c1 ZINC000026513816 170170591 /nfs/dbraw/zinc/17/05/91/170170591.db2.gz ZTXRULVSOKBENU-LLVKDONJSA-N 0 0 208.692 2.688 10 30 BFEERN CCOC(=O)Nc1csc(SC)c1C#N ZINC000090471348 170243717 /nfs/dbraw/zinc/24/37/17/170243717.db2.gz CTXAHEJYCVERQA-UHFFFAOYSA-N 0 0 242.325 2.910 10 30 BFEERN CCOC(=O)C1=C(O)C(=Cc2ccccc2)CC1 ZINC000000258268 170278690 /nfs/dbraw/zinc/27/86/90/170278690.db2.gz KHALZHFCWRDVCU-UKVQZPPCSA-N 0 0 244.290 2.612 10 30 BFEERN CCOCCCCNc1cc(C)nc(C)c1C#N ZINC000160501468 170370871 /nfs/dbraw/zinc/37/08/71/170370871.db2.gz KGVJSSJZWJYXCJ-UHFFFAOYSA-N 0 0 247.342 2.799 10 30 BFEERN CCOc1cc2ncc(C#N)c(Cl)c2cc1N ZINC000021987261 170530606 /nfs/dbraw/zinc/53/06/06/170530606.db2.gz WJPAKTRTDVKOKR-UHFFFAOYSA-N 0 0 247.685 2.741 10 30 BFEERN CCOc1ccc(/C=C\C(C)=N/O)cc1 ZINC000008577821 170535122 /nfs/dbraw/zinc/53/51/22/170535122.db2.gz PQHBUKNDCJQQME-IBKJGWGWSA-N 0 0 205.257 2.949 10 30 BFEERN CCOc1ccc(OCCCC#N)cc1 ZINC000019508937 170555893 /nfs/dbraw/zinc/55/58/93/170555893.db2.gz LCNDZXZHEXSOSJ-UHFFFAOYSA-N 0 0 205.257 2.768 10 30 BFEERN CCOc1ccc2nc(C#N)sc2c1 ZINC000039953740 170570323 /nfs/dbraw/zinc/57/03/23/170570323.db2.gz HYLRVONDRVTYHL-UHFFFAOYSA-N 0 0 204.254 2.567 10 30 BFEERN CCOc1cccc(Oc2nccnc2C#N)c1 ZINC000054380410 170583957 /nfs/dbraw/zinc/58/39/57/170583957.db2.gz JKNJOTRGRNCCGV-UHFFFAOYSA-N 0 0 241.250 2.539 10 30 BFEERN CCSC[C@H](C)N(C)c1ccc(C#N)nc1 ZINC000301736898 170644094 /nfs/dbraw/zinc/64/40/94/170644094.db2.gz HVHVPOKUMIQZMW-JTQLQIEISA-N 0 0 235.356 2.531 10 30 BFEERN CC[C@@H](C)N[C@@H](C#N)c1ccc(N(C)C)cc1 ZINC000038064564 170755223 /nfs/dbraw/zinc/75/52/23/170755223.db2.gz MGKQVADKIFPLEZ-RISCZKNCSA-N 0 0 231.343 2.705 10 30 BFEERN CC[C@@H](NC(=O)Cc1ccc(C#N)cc1)C(C)C ZINC000070158928 170877950 /nfs/dbraw/zinc/87/79/50/170877950.db2.gz MNCWRZVNKMVODW-CQSZACIVSA-N 0 0 244.338 2.652 10 30 BFEERN CC[C@@H]1CCCC[C@H]1N(C)c1cnc(C#N)cn1 ZINC000126991854 170969949 /nfs/dbraw/zinc/96/99/49/170969949.db2.gz QISHXMAAWBHSSC-DGCLKSJQSA-N 0 0 244.342 2.753 10 30 BFEERN CC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000227013290 171124468 /nfs/dbraw/zinc/12/44/68/171124468.db2.gz LBBXVJFNENWEBT-PELKAZGASA-N 0 0 231.255 2.677 10 30 BFEERN CC[C@@](C)(CCC(C)C)C(=O)OC[C@H]1CO1 ZINC000032229269 171163326 /nfs/dbraw/zinc/16/33/26/171163326.db2.gz DHEHEJGXTUCSQF-YPMHNXCESA-N 0 0 228.332 2.781 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1ccccc1F ZINC000038064371 171345384 /nfs/dbraw/zinc/34/53/84/171345384.db2.gz ISKXYHCDHQZGAO-CABZTGNLSA-N 0 0 206.264 2.778 10 30 BFEERN CC[C@H](C)SCc1ccccc1/C(N)=N/O ZINC000019870307 171357059 /nfs/dbraw/zinc/35/70/59/171357059.db2.gz BJDPYLDTPQKDQK-VIFPVBQESA-N 0 0 238.356 2.813 10 30 BFEERN CCc1ccc([C@@H]2CC(=O)C=CO2)cc1 ZINC000039100769 171836016 /nfs/dbraw/zinc/83/60/16/171836016.db2.gz FIPRDXYZRDTVNU-ZDUSSCGKSA-N 0 0 202.253 2.793 10 30 BFEERN CCc1ccccc1Oc1ncc(N)cc1C#N ZINC000037759377 171892993 /nfs/dbraw/zinc/89/29/93/171892993.db2.gz UAGDSTPCVLOTAT-UHFFFAOYSA-N 0 0 239.278 2.890 10 30 BFEERN CCc1nnc(N[C@@H]2C[C@@H]2CC)c(C#N)c1CC ZINC000229726644 172059861 /nfs/dbraw/zinc/05/98/61/172059861.db2.gz TWNOPONJBNCGNB-TVQRCGJNSA-N 0 0 244.342 2.683 10 30 BFEERN CCn1cc(COc2ccc(CC#N)cc2)cn1 ZINC000050539882 172176892 /nfs/dbraw/zinc/17/68/92/172176892.db2.gz LADZVSMYZSWLSL-UHFFFAOYSA-N 0 0 241.294 2.548 10 30 BFEERN C[NH+](C)/C=C\C=C/C(=O)c1ccccc1 ZINC000033374151 172351361 /nfs/dbraw/zinc/35/13/61/172351361.db2.gz HVBROFAHKRAJRB-SQXCDDPUSA-N 0 0 201.269 2.501 10 30 BFEERN CN(C)/C=N/c1c(Cl)cc(N)cc1Cl ZINC000105633256 172352646 /nfs/dbraw/zinc/35/26/46/172352646.db2.gz SSQGDOWIVKQPNA-WLRTZDKTSA-N 0 0 232.114 2.797 10 30 BFEERN CN(CC1CCC1)C(=O)[C@H](C#N)c1ccccc1 ZINC000061615603 172655804 /nfs/dbraw/zinc/65/58/04/172655804.db2.gz YRACMIYDTJJCGG-CQSZACIVSA-N 0 0 242.322 2.552 10 30 BFEERN CN[C@@H](C#N)c1csc2ccccc12 ZINC000054464657 173410641 /nfs/dbraw/zinc/41/06/41/173410641.db2.gz OUMKZELTDRAVPO-JTQLQIEISA-N 0 0 202.282 2.685 10 30 BFEERN CNc1c(C#N)cnc2c(F)ccc(Cl)c21 ZINC000050842245 173470648 /nfs/dbraw/zinc/47/06/48/173470648.db2.gz MVRCQFOXOXLVBF-UHFFFAOYSA-N 0 0 235.649 2.941 10 30 BFEERN CNc1nc(-c2ccsc2)ccc1C#N ZINC000050871354 173485785 /nfs/dbraw/zinc/48/57/85/173485785.db2.gz GNCGMRISAAYFFG-UHFFFAOYSA-N 0 0 215.281 2.723 10 30 BFEERN CO/N=C1/CCc2cc(Br)ccc21 ZINC000071257182 173492940 /nfs/dbraw/zinc/49/29/40/173492940.db2.gz JAVMRYUQNRFNMQ-BENRWUELSA-N 0 0 240.100 2.746 10 30 BFEERN COCCCN[C@@H](C#N)c1ccc(Cl)cc1 ZINC000020174173 174249750 /nfs/dbraw/zinc/24/97/50/174249750.db2.gz GDGMIWXXOIJPHG-LBPRGKRZSA-N 0 0 238.718 2.531 10 30 BFEERN COCCN[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175371 174337222 /nfs/dbraw/zinc/33/72/22/174337222.db2.gz VGUVWCFAFMZORY-AWEZNQCLSA-N 0 0 246.354 2.785 10 30 BFEERN COCCN[C@H](C#N)c1ccc(C(C)C)cc1 ZINC000020174413 174339109 /nfs/dbraw/zinc/33/91/09/174339109.db2.gz KJDSLYLGISZWBW-CQSZACIVSA-N 0 0 232.327 2.611 10 30 BFEERN COc1ccc(Br)cc1[C@H](C)C=O ZINC000036164749 175050992 /nfs/dbraw/zinc/05/09/92/175050992.db2.gz SHHICBLKJBUUCK-SSDOTTSWSA-N 0 0 243.100 2.760 10 30 BFEERN COc1ccc(C(=O)C2=CCCC2)cc1OC ZINC000050325226 175052898 /nfs/dbraw/zinc/05/28/98/175052898.db2.gz BZMAPPYKIVYCIY-UHFFFAOYSA-N 0 0 232.279 2.997 10 30 BFEERN COc1ccc(Cl)c(NC[C@H](C)C#N)c1 ZINC000043317506 175118942 /nfs/dbraw/zinc/11/89/42/175118942.db2.gz BBPGJBLZPHUWPF-MRVPVSSYSA-N 0 0 224.691 2.920 10 30 BFEERN COc1ccc(Cl)cc1[C@@H](C#N)C(=O)C1CC1 ZINC000036931325 175122303 /nfs/dbraw/zinc/12/23/03/175122303.db2.gz VCABSYPXCSNTCQ-LLVKDONJSA-N 0 0 249.697 2.935 10 30 BFEERN COc1ccc(F)cc1C1=CC(=O)CCC1 ZINC000075864743 175128396 /nfs/dbraw/zinc/12/83/96/175128396.db2.gz WRUUVIRUMNRNRK-UHFFFAOYSA-N 0 0 220.243 2.971 10 30 BFEERN COc1ccc(OC)c([C@@H](C#N)NCC(C)C)c1 ZINC000020175867 175167503 /nfs/dbraw/zinc/16/75/03/175167503.db2.gz ZRJBGSQLOMORST-CYBMUJFWSA-N 0 0 248.326 2.514 10 30 BFEERN COc1ccc([C@H](C)NC[C@@H](C)C#N)c(OC)c1 ZINC000054179360 175188580 /nfs/dbraw/zinc/18/85/80/175188580.db2.gz UQMQBVURFNZAJO-QWRGUYRKSA-N 0 0 248.326 2.514 10 30 BFEERN COc1ccc2c(c1OC)CCC[C@H]2C#N ZINC000039119119 175221673 /nfs/dbraw/zinc/22/16/73/175221673.db2.gz ZLXZKBRPXNTGHS-VIFPVBQESA-N 0 0 217.268 2.647 10 30 BFEERN COc1cccc(COCCCC#N)c1 ZINC000019430425 175269412 /nfs/dbraw/zinc/26/94/12/175269412.db2.gz LCAZVBVZFJDATI-UHFFFAOYSA-N 0 0 205.257 2.516 10 30 BFEERN COc1cccc(Oc2ncccc2C#N)c1 ZINC000019481604 175284909 /nfs/dbraw/zinc/28/49/09/175284909.db2.gz HAZLUIRWJAJYAQ-UHFFFAOYSA-N 0 0 226.235 2.754 10 30 BFEERN COc1cccc([C@H](C#N)C(=O)C(C)C)c1 ZINC000040907833 175291584 /nfs/dbraw/zinc/29/15/84/175291584.db2.gz SKAYUIUERZRSMH-LBPRGKRZSA-N 0 0 217.268 2.527 10 30 BFEERN COc1cccc([C@H](C#N)NCCC(C)C)c1 ZINC000020173407 175291817 /nfs/dbraw/zinc/29/18/17/175291817.db2.gz WGVPOKCHNUDWMM-AWEZNQCLSA-N 0 0 232.327 2.896 10 30 BFEERN COc1ccccc1-c1ccc(C#N)c(=S)[nH]1 ZINC000049830956 175309321 /nfs/dbraw/zinc/30/93/21/175309321.db2.gz TVMJLSDRIOXYNO-UHFFFAOYSA-N 0 0 242.303 2.918 10 30 BFEERN COc1ccccc1C[C@@](C)(C#N)NCC(C)C ZINC000037939312 175332608 /nfs/dbraw/zinc/33/26/08/175332608.db2.gz QUMOWTKTTMGKPF-HNNXBMFYSA-N 0 0 246.354 2.766 10 30 BFEERN COc1ccccc1C[C@@](C)(C#N)N1CCCC1 ZINC000037735076 175332936 /nfs/dbraw/zinc/33/29/36/175332936.db2.gz PBGVIIONLTZQNI-HNNXBMFYSA-N 0 0 244.338 2.616 10 30 BFEERN C[C@@H](Nc1ccccc1C#N)[C@H]1CCCO1 ZINC000035238213 175933932 /nfs/dbraw/zinc/93/39/32/175933932.db2.gz CYLROZGCHQELDQ-ZWNOBZJWSA-N 0 0 216.284 2.538 10 30 BFEERN C[C@@H]1CC=CC[C@@H]1COc1cc(C#N)ccn1 ZINC000034958437 176059706 /nfs/dbraw/zinc/05/97/06/176059706.db2.gz NZHKUCGIHIJORL-DGCLKSJQSA-N 0 0 228.295 2.934 10 30 BFEERN C[C@@H]1CCCC[C@]1(C#N)NCC(F)(F)F ZINC000037970899 176090038 /nfs/dbraw/zinc/09/00/38/176090038.db2.gz PKLAIZADPJIGDT-RKDXNWHRSA-N 0 0 220.238 2.611 10 30 BFEERN C[C@@H]1CCCC[C@]1(C#N)NC1CCCC1 ZINC000037968397 176090098 /nfs/dbraw/zinc/09/00/98/176090098.db2.gz MKTCLQGECGJOKX-DGCLKSJQSA-N 0 0 206.333 2.991 10 30 BFEERN C[C@@H]1CCC[C@@H](Nc2ncc(N)cc2C#N)C1 ZINC000037759064 176125094 /nfs/dbraw/zinc/12/50/94/176125094.db2.gz MOXFKJTWEANEMG-BXKDBHETSA-N 0 0 230.315 2.526 10 30 BFEERN C[C@@H]1C[C@@H](OCCC/C(N)=N/O)CC(C)(C)C1 ZINC000034958309 176382918 /nfs/dbraw/zinc/38/29/18/176382918.db2.gz FPWKIPWNGMNUPK-GHMZBOCLSA-N 0 0 242.363 2.744 10 30 BFEERN C[C@@H]1C[C@@H](Oc2nccnc2C#N)CC(C)(C)C1 ZINC000054379981 176383661 /nfs/dbraw/zinc/38/36/61/176383661.db2.gz HVZAZQFWSOVFRA-GHMZBOCLSA-N 0 0 245.326 2.942 10 30 BFEERN C[C@H](C#N)CN(C)c1ccc(Cl)cc1 ZINC000049814370 176552964 /nfs/dbraw/zinc/55/29/64/176552964.db2.gz KXMBYXWMTBPJBV-SECBINFHSA-N 0 0 208.692 2.936 10 30 BFEERN C[C@H](C#N)CSCc1nc2ccccc2[nH]1 ZINC000082298156 176553677 /nfs/dbraw/zinc/55/36/77/176553677.db2.gz XWNRMQOTWXGKHG-SECBINFHSA-N 0 0 231.324 2.956 10 30 BFEERN C[C@H](Nc1ccc(C#N)nc1)c1cncc(F)c1 ZINC000357441410 176932015 /nfs/dbraw/zinc/93/20/15/176932015.db2.gz NISVMNYYPZGZGQ-VIFPVBQESA-N 0 0 242.257 2.660 10 30 BFEERN C[C@H](O)c1ccc(N(CCC#N)C2CC2)cc1 ZINC000042547509 177017057 /nfs/dbraw/zinc/01/70/57/177017057.db2.gz SCELWMULBNZPLS-NSHDSACASA-N 0 0 230.311 2.622 10 30 BFEERN C[C@H](CC#N)N(C)c1ccc([C@H](C)O)cc1F ZINC000103921480 177017605 /nfs/dbraw/zinc/01/76/05/177017605.db2.gz FRWOMRIRNUUUSX-ZJUUUORDSA-N 0 0 236.290 2.617 10 30 BFEERN C[C@H](OC(C)(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000020514521 177020444 /nfs/dbraw/zinc/02/04/44/177020444.db2.gz WEYFELWWEFZJOR-JTQLQIEISA-N 0 0 246.310 2.700 10 30 BFEERN C[C@H](S)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095089579 177026408 /nfs/dbraw/zinc/02/64/08/177026408.db2.gz YBGIFYRKKYZAQH-UWVGGRQHSA-N 0 0 245.388 2.952 10 30 BFEERN C[C@H](c1ccc(N)cc1)N(CCC#N)C1CC1 ZINC000042531012 177034288 /nfs/dbraw/zinc/03/42/88/177034288.db2.gz ULKBCPJSQRCWTC-LLVKDONJSA-N 0 0 229.327 2.708 10 30 BFEERN C[C@H](c1cccs1)N(C)c1nccnc1C#N ZINC000054379354 177048429 /nfs/dbraw/zinc/04/84/29/177048429.db2.gz VFPSVQTZCQRGOZ-SECBINFHSA-N 0 0 244.323 2.607 10 30 BFEERN C[C@@H]1CCC[C@H](C)N1C(=O)C1(C#N)CCCC1 ZINC000044765143 177115441 /nfs/dbraw/zinc/11/54/41/177115441.db2.gz DTKFEWJQEJEEPU-TXEJJXNPSA-N 0 0 234.343 2.860 10 30 BFEERN C[C@H]1C[C@@H](S)CCN1C(=O)OC(C)(C)C ZINC000073657049 177338751 /nfs/dbraw/zinc/33/87/51/177338751.db2.gz VMYQICBYCQSTAK-IUCAKERBSA-N 0 0 231.361 2.704 10 30 BFEERN C[C@H]1C[C@@H]1Nc1c(C#N)cnc2ccccc21 ZINC000052291447 177350769 /nfs/dbraw/zinc/35/07/69/177350769.db2.gz PPWHRBRWIOWECE-ZANVPECISA-N 0 0 223.279 2.927 10 30 BFEERN C[C@@H](C#N)CN1c2ccccc2C[C@@H]1C ZINC000031945920 177390287 /nfs/dbraw/zinc/39/02/87/177390287.db2.gz SQVOXEBVBWBXNN-QWRGUYRKSA-N 0 0 200.285 2.597 10 30 BFEERN C[C@@]12Cc3cc(O)ccc3C1=CC(=O)CC2 ZINC000034633771 177483177 /nfs/dbraw/zinc/48/31/77/177483177.db2.gz ULUAXMXCRVOEKK-CQSZACIVSA-N 0 0 214.264 2.701 10 30 BFEERN O=Cc1n[nH]c2cc(Br)ccc12 ZINC000504720373 226350211 /nfs/dbraw/zinc/35/02/11/226350211.db2.gz WECBQLZNLSYDGU-QMMMGPOBSA-N 0 0 225.045 2.786 10 30 BFEERN COCC1CC(C#CC#C[Si](C)(C)C)C1 ZINC000584600205 488018311 /nfs/dbraw/zinc/01/83/11/488018311.db2.gz BXMPWPBKHUKZGJ-UHFFFAOYSA-N 0 0 220.388 2.543 10 30 BFEERN C[C@@]1(C=O)CC[C@@H](O[C@H]2CCCCO2)CC1 ZINC000584600244 488018339 /nfs/dbraw/zinc/01/83/39/488018339.db2.gz AZOJAACJKJLTSR-AVGNSLFASA-N 0 0 226.316 2.677 10 30 BFEERN C#CCN(C(=O)[C@H]1CCC[C@@H]1C)C1CCCC1 ZINC000490934099 488027248 /nfs/dbraw/zinc/02/72/48/488027248.db2.gz HJQUEGDHFQKXCD-JSGCOSHPSA-N 0 0 233.355 2.827 10 30 BFEERN C[Si](C)(C)C#Cc1ncccc1Cl ZINC000195841979 488033688 /nfs/dbraw/zinc/03/36/88/488033688.db2.gz VZHFUVHBBXLELQ-UHFFFAOYSA-N 0 0 209.752 2.964 10 30 BFEERN C=CCSC(=S)N1N[C@H]1c1ccccc1 ZINC000584650222 488020142 /nfs/dbraw/zinc/02/01/42/488020142.db2.gz QEJJDZRPKDDREF-VUUHIHSGSA-N 0 0 236.365 2.710 10 30 BFEERN CC[C@@H](Nc1ccc(C#N)nn1)c1cccs1 ZINC000301975100 491099462 /nfs/dbraw/zinc/09/94/62/491099462.db2.gz VRNDLPSGOCWAOU-SNVBAGLBSA-N 0 0 244.323 2.973 10 30 BFEERN CCN[C@H](C#N)CSCc1ccc(Cl)o1 ZINC000757169429 582550672 /nfs/dbraw/zinc/55/06/72/582550672.db2.gz HXCOGKXIQHOAHF-MRVPVSSYSA-N 0 0 244.747 2.668 10 30 BFEERN CCO[C@H]1CCCN(c2ccccc2C#N)C1 ZINC000042425031 535621913 /nfs/dbraw/zinc/62/19/13/535621913.db2.gz WOOGJEPDOQFLEV-ZDUSSCGKSA-N 0 0 230.311 2.564 10 30 BFEERN CCc1ccccc1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000161905609 535924863 /nfs/dbraw/zinc/92/48/63/535924863.db2.gz JFQSQZVFSLYZNV-OCCSQVGLSA-N 0 0 242.322 2.671 10 30 BFEERN CC[C@]1([C@H](NC(=O)OC(C)(C)C)C(C)C)CO1 ZINC000072207921 523627768 /nfs/dbraw/zinc/62/77/68/523627768.db2.gz HNZVFHDMNUWSHG-ZWNOBZJWSA-N 0 0 243.347 2.715 10 30 BFEERN Cc1cc2c(cc1O)[C@](C)(O)C(=O)C=C2C(C)C ZINC000013482782 525612259 /nfs/dbraw/zinc/61/22/59/525612259.db2.gz JLCJSBOHWRDWQW-HNNXBMFYSA-N 0 0 246.306 2.530 10 30 endogenous,in-man BFEERN Cc1ccn2nc(C(F)(F)F)cc2c1C#N ZINC000072226088 525619545 /nfs/dbraw/zinc/61/95/45/525619545.db2.gz GSMIWXVMWRVXSF-UHFFFAOYSA-N 0 0 225.173 2.533 10 30 BFEERN C[C@@](C#N)(NCc1ccccc1)C(F)(F)F ZINC000114869170 525739315 /nfs/dbraw/zinc/73/93/15/525739315.db2.gz MPAROUWNDUJMKM-JTQLQIEISA-N 0 0 228.217 2.621 10 30 BFEERN CC1(C)CCc2ccccc2[C@H]1NC(=O)CC#N ZINC000185551723 535329858 /nfs/dbraw/zinc/32/98/58/535329858.db2.gz PXYVMCFINIULMQ-CQSZACIVSA-N 0 0 242.322 2.730 10 30 BFEERN CC[C@@](C)(C#N)C(=O)N1CCC12CCCCC2 ZINC000367618663 535967311 /nfs/dbraw/zinc/96/73/11/535967311.db2.gz UBGRRFGQOBZVDL-ZDUSSCGKSA-N 0 0 234.343 2.861 10 30 BFEERN C=C(C)[C@@H]1CC=C2[C@H](O)C[C@@H](O)[C@@H](C)[C@@]2(C)C1 ZINC000004098245 560122627 /nfs/dbraw/zinc/12/26/27/560122627.db2.gz BXXSHQYDJWZXPB-OKNSCYNVSA-N 0 0 236.355 2.667 10 30 endogenous,in-man BFEERN C[C@@]12CC[C@@H]3[C@H](CC3(C)C)C(=O)CC[C@@H]1O2 ZINC000003978555 574412145 /nfs/dbraw/zinc/41/21/45/574412145.db2.gz UETZJEZFLKASPR-HEQLZXTPSA-N 0 0 222.328 2.949 10 30 endogenous,in-man BFEERN COC(=O)[C@]1(Cl)O[C@@]12CCCC(C)(C)CC2 ZINC000234594257 582460887 /nfs/dbraw/zinc/46/08/87/582460887.db2.gz ZPFYFHCYCDGNHS-NEPJUHHUSA-N 0 0 246.734 2.854 10 30 BFEERN C#CCCCNc1ccc2c(c1)CCN2C ZINC000757124029 582499353 /nfs/dbraw/zinc/49/93/53/582499353.db2.gz BJJRYDVWYCPWFZ-UHFFFAOYSA-N 0 0 214.312 2.504 10 30 BFEERN C=C[C@@H](C)N1C(=S)N=NC1c1ccc(O)cc1 ZINC000757127563 582503348 /nfs/dbraw/zinc/50/33/48/582503348.db2.gz CTGMADXOMNIXDN-MRVPVSSYSA-N 0 0 247.323 2.686 10 30 BFEERN C=C[C@@H](C)N1C(=S)N=NC1C(C)(C)C ZINC000757129982 582504585 /nfs/dbraw/zinc/50/45/85/582504585.db2.gz KNAZHFOBTVSKLV-SSDOTTSWSA-N 0 0 211.334 2.611 10 30 BFEERN COc1cc(CS)cc(Cl)c1OC ZINC000757163503 582544905 /nfs/dbraw/zinc/54/49/05/582544905.db2.gz QJUHBIKBMDGLJF-UHFFFAOYSA-N 0 0 218.705 2.787 10 30 BFEERN CC(C)(C)OC(=O)N[C@H]1C[C@H](S)C12CCC2 ZINC000757163104 582545679 /nfs/dbraw/zinc/54/56/79/582545679.db2.gz KNXCQCIAIDFMGJ-IUCAKERBSA-N 0 0 243.372 2.752 10 30 BFEERN CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1S ZINC000757164059 582546069 /nfs/dbraw/zinc/54/60/69/582546069.db2.gz XXMQRYRMMCBOTK-NXEZZACHSA-N 0 0 245.388 3.000 10 30 BFEERN CC[C@H](S)C1CN(C(=O)OC(C)(C)C)C1 ZINC000757166527 582547613 /nfs/dbraw/zinc/54/76/13/582547613.db2.gz WJCYYLLQMSKWBQ-VIFPVBQESA-N 0 0 231.361 2.562 10 30 BFEERN Cc1ccoc1CSCCO[C@@H](C)C#N ZINC000757166147 582549005 /nfs/dbraw/zinc/54/90/05/582549005.db2.gz PDIWEILDEUSKNO-JTQLQIEISA-N 0 0 225.313 2.750 10 30 BFEERN C=C[C@@H](SCc1occc1C)C(=O)OC ZINC000757167943 582549428 /nfs/dbraw/zinc/54/94/28/582549428.db2.gz ZRJIJAROJLQTNY-SNVBAGLBSA-N 0 0 226.297 2.549 10 30 BFEERN CCc1ccc(CSC[C@@]2(C)CO2)o1 ZINC000757168941 582549890 /nfs/dbraw/zinc/54/98/90/582549890.db2.gz DRHDTSUHAGFQNP-LLVKDONJSA-N 0 0 212.314 2.864 10 30 BFEERN C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[C@H]2C#N)CCC1=O ZINC000328978292 582728473 /nfs/dbraw/zinc/72/84/73/582728473.db2.gz XACZUGCSUQHVFX-WISYIIOYSA-N 0 0 248.326 2.640 10 30 BFEERN C#Cc1nc2cc(F)ccc2n1CCC ZINC000685963952 585028530 /nfs/dbraw/zinc/02/85/30/585028530.db2.gz JLTLVONMFNSFBW-UHFFFAOYSA-N 0 0 202.232 2.567 10 30 BFEERN C=C[C@@H](C)NC(=S)NCCCCCC ZINC000757135188 586427018 /nfs/dbraw/zinc/42/70/18/586427018.db2.gz RGDWLGVKOLXDEL-SNVBAGLBSA-N 0 0 214.378 2.605 10 30 BFEERN C=C[C@@H](C)N1C(=S)N=NC1[C@H](C)CC ZINC000757134703 586427041 /nfs/dbraw/zinc/42/70/41/586427041.db2.gz YOFHMFVOCAVUSO-HTQZYQBOSA-N 0 0 211.334 2.827 10 30 BFEERN CCCn1c2ccccc2nc1CS ZINC000757162098 586431790 /nfs/dbraw/zinc/43/17/90/586431790.db2.gz BRWQFOOSHURQQJ-UHFFFAOYSA-N 0 0 206.314 2.876 10 30 BFEERN Cc1cc(C[C@](C)(O)CC=O)ccc1Cl ZINC000757160844 586432088 /nfs/dbraw/zinc/43/20/88/586432088.db2.gz UEQHUHXWGQHAGV-GFCCVEGCSA-N 0 0 226.703 2.531 10 30 BFEERN CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)S ZINC000757166673 586432791 /nfs/dbraw/zinc/43/27/91/586432791.db2.gz WMNFYQLHJKTLAC-YUMQZZPRSA-N 0 0 219.350 2.608 10 30 BFEERN Cc1nn(-c2cc(C)cc(C)c2)cc1C#N ZINC000757191982 586435848 /nfs/dbraw/zinc/43/58/48/586435848.db2.gz RWXIRIHAGSVVSF-UHFFFAOYSA-N 0 0 211.268 2.669 10 30 BFEERN C=CCc1ccccc1OC(=O)[C@@H]1CC[C@@H](C)O1 ZINC000121426229 587809858 /nfs/dbraw/zinc/80/98/58/587809858.db2.gz IDQKQWKQULWNLL-RISCZKNCSA-N 0 0 246.306 2.888 10 30 BFEERN CCCCCCCC(=O)N1CC[C@H](CCO)C1 ZINC000123133866 589666101 /nfs/dbraw/zinc/66/61/01/589666101.db2.gz DMFKZHAYZIDIHK-CYBMUJFWSA-N 0 0 241.375 2.578 10 30 BFEERN O=C(/C=C/c1ccc[nH]1)/C=C\c1ccc[nH]1 ZINC000078921864 632032950 /nfs/dbraw/zinc/03/29/50/632032950.db2.gz BDKPSPXPELVDQC-CGXWXWIYSA-N 0 0 212.252 2.639 10 30 BFEERN CCn1nc(C)c([C@@H](C)NCC(C)(C)C#N)c1C ZINC000122304296 632059679 /nfs/dbraw/zinc/05/96/79/632059679.db2.gz PMCQRDPHIPVDNX-SNVBAGLBSA-N 0 0 248.374 2.720 10 30 BFEERN CC(C)(C)[C@@H]1CCc2nc(N)c(C#N)cc2C1 ZINC000050871197 636643210 /nfs/dbraw/zinc/64/32/10/636643210.db2.gz QMHYRRMEYBWHIC-LLVKDONJSA-N 0 0 229.327 2.686 10 30 BFEERN C#CCN(C(=O)[C@H]1CCC[C@@H]1C)C(C)(C)C ZINC000723030662 711496040 /nfs/dbraw/zinc/49/60/40/711496040.db2.gz HMEJVFOJLGZPDK-RYUDHWBXSA-N 0 0 221.344 2.683 10 30 BFEERN CCc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)s1 ZINC000061888293 641004656 /nfs/dbraw/zinc/00/46/56/641004656.db2.gz SKKPMVQUOZSINX-GXSJLCMTSA-N 0 0 248.351 2.733 10 30 BFEERN C=C[C@@H](CC)OC(=O)Cc1cccc(F)c1 ZINC000181254875 642856417 /nfs/dbraw/zinc/85/64/17/642856417.db2.gz YGJCYHQMWPHOLB-LBPRGKRZSA-N 0 0 222.259 2.876 10 30 BFEERN C#CCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000069767485 642904766 /nfs/dbraw/zinc/90/47/66/642904766.db2.gz FEKXAYZKGJSVRC-VIFPVBQESA-N 0 0 209.239 2.639 10 30 BFEERN CC(C)(C)[C@@H](C#N)OC(=O)Cc1cccc(F)c1 ZINC000184918163 643250782 /nfs/dbraw/zinc/25/07/82/643250782.db2.gz GCQJZMAJEQLXMC-GFCCVEGCSA-N 0 0 249.285 2.850 10 30 BFEERN C#C[C@@H](C)NC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000185962181 643416269 /nfs/dbraw/zinc/41/62/69/643416269.db2.gz RDWDRNIVJADZEM-GHMZBOCLSA-N 0 0 248.301 2.516 10 30 BFEERN COc1ccc(CS)c(Cl)c1OC ZINC000086895235 644266447 /nfs/dbraw/zinc/26/64/47/644266447.db2.gz HQJZDIYGCHCDCO-UHFFFAOYSA-N 0 0 218.705 2.787 10 30 BFEERN O=C(/C=C\c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000083311813 644404720 /nfs/dbraw/zinc/40/47/20/644404720.db2.gz CHNIPFJTNSOHAV-BAQGIRSFSA-N 0 0 217.224 2.587 10 30 BFEERN COc1ccc(CS)cc1OC(F)F ZINC000086895222 644472830 /nfs/dbraw/zinc/47/28/30/644472830.db2.gz WYQFZLXCCJICMR-UHFFFAOYSA-N 0 0 220.240 2.726 10 30 BFEERN C#C[C@H](C)OC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000246515974 644591027 /nfs/dbraw/zinc/59/10/27/644591027.db2.gz HFHSAUAQRHVDMI-WCFLWFBJSA-N 0 0 220.312 2.768 10 30 BFEERN Cc1c(/C=C\C(=O)c2ccc(C)cc2)cnn1C ZINC000097414768 644917412 /nfs/dbraw/zinc/91/74/12/644917412.db2.gz CDZZCQWVUVOTRG-HJWRWDBZSA-N 0 0 240.306 2.933 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1ccccc1 ZINC000700844416 712008344 /nfs/dbraw/zinc/00/83/44/712008344.db2.gz QJHGJMGZZBLTOO-KYXFNPKGSA-N 0 0 240.306 2.508 10 30 BFEERN CSC1CC(Nc2nccc(C)c2C#N)C1 ZINC000708313804 712186522 /nfs/dbraw/zinc/18/65/22/712186522.db2.gz XJIBTVXHHRWKCT-UHFFFAOYSA-N 0 0 233.340 2.568 10 30 BFEERN CSC1CC(Nc2nc(C)ccc2C#N)C1 ZINC000708318654 712186583 /nfs/dbraw/zinc/18/65/83/712186583.db2.gz OGNYXWNPJZUOFL-UHFFFAOYSA-N 0 0 233.340 2.568 10 30 BFEERN C#CCC(C)(C)COC(=O)/C=C\c1cccnc1 ZINC000588456558 958587527 /nfs/dbraw/zinc/58/75/27/958587527.db2.gz BBYMTEJZNYBTOG-FPLPWBNLSA-N 0 0 243.306 2.688 10 30 BFEERN C=C[C@H](C)OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000588539640 959012942 /nfs/dbraw/zinc/01/29/42/959012942.db2.gz GKKYEGQAKRYEDL-MBACFSSFSA-N 0 0 247.250 2.726 10 30 BFEERN C=C[C@@H](C)OC(=O)/C=C\c1cccc(F)c1 ZINC000588540005 959014056 /nfs/dbraw/zinc/01/40/56/959014056.db2.gz KZXXIUVNLJMQEN-GQYWMQPJSA-N 0 0 220.243 2.957 10 30 BFEERN C/C=C(/CC)C(=O)OCC#Cc1ccccc1 ZINC000588569914 959250617 /nfs/dbraw/zinc/25/06/17/959250617.db2.gz AISUSNBYMDWSIZ-BNNQUZSASA-N 0 0 228.291 2.938 10 30 BFEERN Cc1ccc(C#CC(=O)OC(C)(C)C)s1 ZINC000685953259 538897559 /nfs/dbraw/zinc/89/75/59/538897559.db2.gz KDAYQODVSZKMNG-UHFFFAOYSA-N 0 0 222.309 2.750 10 30 BFEERN Cc1cc(C)nc(SCCCCC#N)n1 ZINC000048101716 177948570 /nfs/dbraw/zinc/94/85/70/177948570.db2.gz ZFJFRALTNBJGKM-UHFFFAOYSA-N 0 0 221.329 2.879 10 30 BFEERN Cc1ccc([C@@H](O)[C@H](C)C#N)cc1Cl ZINC000235406720 343977674 /nfs/dbraw/zinc/97/76/74/343977674.db2.gz YTXIOXSWLNZRKU-KCJUWKMLSA-N 0 0 209.676 2.842 10 30 BFEERN CC[C@@H](C#N)C(=O)c1cc(F)ccc1C ZINC000062665906 346813702 /nfs/dbraw/zinc/81/37/02/346813702.db2.gz DDDQKZJHFKIIAN-VIFPVBQESA-N 0 0 205.232 2.867 10 30 BFEERN N#CCCN1CCCC[C@@H]1c1nccs1 ZINC000299673220 398150770 /nfs/dbraw/zinc/15/07/70/398150770.db2.gz PHZANKKSMDJWCA-SNVBAGLBSA-N 0 0 221.329 2.584 10 30 BFEERN Cc1cc(Cl)ccc1N(C)CCC#N ZINC000049814376 178067600 /nfs/dbraw/zinc/06/76/00/178067600.db2.gz HKRCCSBZVMLDPV-UHFFFAOYSA-N 0 0 208.692 2.998 10 30 BFEERN Cc1cc(F)cc2c1ncc(C#N)c2N(C)C ZINC000072237069 178079726 /nfs/dbraw/zinc/07/97/26/178079726.db2.gz LNZWRGMJQPEHPD-UHFFFAOYSA-N 0 0 229.258 2.620 10 30 BFEERN Cc1cc(F)ccc1[C@@H](C#N)NCC1CC1 ZINC000050579725 178092321 /nfs/dbraw/zinc/09/23/21/178092321.db2.gz LHSAGGHESCYSLL-CYBMUJFWSA-N 0 0 218.275 2.698 10 30 BFEERN Cc1cc(N(C)c2cccc(C#N)c2)ncc1N ZINC000077383923 178102500 /nfs/dbraw/zinc/10/25/00/178102500.db2.gz SVLXAGNAHVKFQV-UHFFFAOYSA-N 0 0 238.294 2.612 10 30 BFEERN CC(=O)/C=C/C1=C(C)C[C@H](O)CC1(C)C ZINC000014487643 259305513 /nfs/dbraw/zinc/30/55/13/259305513.db2.gz HFRZSVYKDDZRQY-QRGHLMKCSA-N 0 0 208.301 2.629 10 30 endogenous,in-man BFEERN Cc1cc([N+](=O)[O-])ccc1N(CCC#N)C1CC1 ZINC000042549645 178271172 /nfs/dbraw/zinc/27/11/72/178271172.db2.gz CWKADGXIUYRWLK-UHFFFAOYSA-N 0 0 245.282 2.786 10 30 BFEERN Cc1cc([N+](=O)[O-])ccc1N(C)[C@@H](C)CC#N ZINC000063096237 178271195 /nfs/dbraw/zinc/27/11/95/178271195.db2.gz ZQXOKRXTMZUDFR-JTQLQIEISA-N 0 0 233.271 2.642 10 30 BFEERN Cc1cc2c(cc1Cl)n(CCC#N)ccc2=O ZINC000072237462 178277297 /nfs/dbraw/zinc/27/72/97/178277297.db2.gz XQLUCMIJZJRYRJ-UHFFFAOYSA-N 0 0 246.697 2.877 10 30 BFEERN CCC[C@]1(C(=O)OCC)O[C@]1(C)CC1CC1 ZINC000229762787 538941036 /nfs/dbraw/zinc/94/10/36/538941036.db2.gz BRHKCLVKGVNOGO-CHWSQXEVSA-N 0 0 226.316 2.677 10 30 BFEERN Cc1cc(C#N)cc([C@H](C)c2ncc[nH]2)c1 ZINC000114431505 398245307 /nfs/dbraw/zinc/24/53/07/398245307.db2.gz CZVBCCUVKNOOMP-JTQLQIEISA-N 0 0 211.268 2.742 10 30 BFEERN CC[C@@H]1CCC[C@]12O[C@]2(C(=O)OC)C(C)C ZINC000229673790 538940280 /nfs/dbraw/zinc/94/02/80/538940280.db2.gz WPYJMCBKKMSWMQ-WXHSDQCUSA-N 0 0 226.316 2.533 10 30 BFEERN COC(=O)[C@H]1OC12CC(C)(C)CC(C)(C)C2 ZINC000168317100 538945054 /nfs/dbraw/zinc/94/50/54/538945054.db2.gz WRKIAEWIMNDCOY-SECBINFHSA-N 0 0 226.316 2.533 10 30 BFEERN CC(C)Nc1nccc(C#C[Si](C)(C)C)n1 ZINC000196275977 398251116 /nfs/dbraw/zinc/25/11/16/398251116.db2.gz DBAMMJWVPGAVFY-UHFFFAOYSA-N 0 0 233.391 2.526 10 30 BFEERN CCC(CC)N(C)c1ccc(C#N)cc1N ZINC000036788901 168368500 /nfs/dbraw/zinc/36/85/00/168368500.db2.gz MOMOTRJOLZQMLB-UHFFFAOYSA-N 0 0 217.316 2.765 10 30 BFEERN CCC(CC)N(C)c1ncccc1C#N ZINC000036789340 168368880 /nfs/dbraw/zinc/36/88/80/168368880.db2.gz DKGHZSIZDHJIIS-UHFFFAOYSA-N 0 0 203.289 2.578 10 30 BFEERN Cc1ccc(-c2csc(CC#N)n2)o1 ZINC000019428636 178330349 /nfs/dbraw/zinc/33/03/49/178330349.db2.gz RUOUAYQLYJUMJL-UHFFFAOYSA-N 0 0 204.254 2.778 10 30 BFEERN Cc1ccc(C#N)cc1NC[C@@H]1CCC=CO1 ZINC000050430015 178367647 /nfs/dbraw/zinc/36/76/47/178367647.db2.gz ZCFFMLQAVLNEFS-ZDUSSCGKSA-N 0 0 228.295 2.971 10 30 BFEERN Cc1ccc(CN=Nc2ccc(Cl)nn2)cc1 ZINC000004979516 178357643 /nfs/dbraw/zinc/35/76/43/178357643.db2.gz GXIHSGKGCQTHSJ-RIYZIHGNSA-N 0 0 246.701 2.884 10 30 BFEERN Cc1ccc(C#N)c(OCC2CCOCC2)c1 ZINC000052153980 178365567 /nfs/dbraw/zinc/36/55/67/178365567.db2.gz XZIHDKVHGIVHBT-UHFFFAOYSA-N 0 0 231.295 2.672 10 30 BFEERN Cc1ccc(C#N)cc1N[C@H]1CCC[C@H]1C#N ZINC000054828910 178366979 /nfs/dbraw/zinc/36/69/79/178366979.db2.gz BDJWVZLAHLIWAI-STQMWFEESA-N 0 0 225.295 2.971 10 30 BFEERN COC(=O)[C@@H]1O[C@@]12CCC[C@@H](CC(C)C)C2 ZINC000230793671 538951115 /nfs/dbraw/zinc/95/11/15/538951115.db2.gz ACFNIPRKUCMYBK-GMXVVIOVSA-N 0 0 226.316 2.533 10 30 BFEERN O=C1C=C(n2cnc(Cl)c2Cl)CCC1 ZINC000000161134 342678257 /nfs/dbraw/zinc/67/82/57/342678257.db2.gz WFWXRGMIAZPZHD-UHFFFAOYSA-N 0 0 231.082 2.784 10 30 BFEERN O=C1CCCCC1=C1SCCS1 ZINC000002584055 342725701 /nfs/dbraw/zinc/72/57/01/342725701.db2.gz MISXBSXTXGFHJF-UHFFFAOYSA-N 0 0 200.328 2.821 10 30 BFEERN C/C=N/OCc1c(F)c(F)c(F)c(F)c1F ZINC000005412904 342763328 /nfs/dbraw/zinc/76/33/28/342763328.db2.gz AKDRYEADQPNLOH-RSSMCMFDSA-N 0 0 239.143 2.904 10 30 BFEERN C=C(C)Cn1c(CC)nnc1NC(C)(C)C ZINC000309644002 342775014 /nfs/dbraw/zinc/77/50/14/342775014.db2.gz LPRXDZSITZPRCD-UHFFFAOYSA-N 0 0 222.336 2.627 10 30 BFEERN N#Cc1cccc(NCc2ccccc2)c1N ZINC000130855230 398285307 /nfs/dbraw/zinc/28/53/07/398285307.db2.gz YPCHARJOQURQTB-UHFFFAOYSA-N 0 0 223.279 2.753 10 30 BFEERN N#Cc1c(F)cc(C(=O)C(F)(F)F)cc1F ZINC000149634241 342793650 /nfs/dbraw/zinc/79/36/50/342793650.db2.gz DSTUNVJTWFMBCH-UHFFFAOYSA-N 0 0 235.111 2.581 10 30 BFEERN C[C@]1(C23CC4CC(CC(C4)C2)C3)O[C@H]1C#N ZINC000380520209 538990030 /nfs/dbraw/zinc/99/00/30/538990030.db2.gz XBLPMISOCXOIBN-SQTULCNDSA-N 0 0 217.312 2.884 10 30 BFEERN C[C@@H](NCC#N)c1ccccc1Br ZINC000088162666 398294004 /nfs/dbraw/zinc/29/40/04/398294004.db2.gz GMKOGCNHSDQQSK-MRVPVSSYSA-N 0 0 239.116 2.623 10 30 BFEERN C#C[C@H](C)OCc1ccc(Cl)nc1Cl ZINC000235567200 344006737 /nfs/dbraw/zinc/00/67/37/344006737.db2.gz MBFMWLKHBRKMQZ-ZETCQYMHSA-N 0 0 230.094 2.927 10 30 BFEERN O=C[C@@H]1CCc2[nH]c3ccc(F)cc3c2C1 ZINC000090557927 398302266 /nfs/dbraw/zinc/30/22/66/398302266.db2.gz JNWWVPWEZUZEMV-MRVPVSSYSA-N 0 0 217.243 2.611 10 30 BFEERN CCC[C@H]([NH3+])C#Cc1ccc(Cl)s1 ZINC000229906321 342854556 /nfs/dbraw/zinc/85/45/56/342854556.db2.gz MGDPNMRSMJMPMQ-QMMMGPOBSA-N 0 0 213.733 2.880 10 30 BFEERN CCC[C@@H]([NH3+])C#Cc1sccc1Cl ZINC000229910231 342854588 /nfs/dbraw/zinc/85/45/88/342854588.db2.gz WCUVIMXRQWNMGN-MRVPVSSYSA-N 0 0 213.733 2.880 10 30 BFEERN C/C=C/C(=O)c1cc(F)c(OC)cc1F ZINC000308780758 342870699 /nfs/dbraw/zinc/87/06/99/342870699.db2.gz CMPAQPPSYWOLBE-ONEGZZNKSA-N 0 0 212.195 2.732 10 30 BFEERN C#CCOc1cccc(OC(F)(F)F)c1 ZINC000308823022 342873731 /nfs/dbraw/zinc/87/37/31/342873731.db2.gz ZKWPXRCXYPTDPF-UHFFFAOYSA-N 0 0 216.158 2.597 10 30 BFEERN CC1CC(C(=O)N(C)c2cccc(C#N)c2)C1 ZINC000084753959 398342584 /nfs/dbraw/zinc/34/25/84/398342584.db2.gz OOULSTLRSARYMY-UHFFFAOYSA-N 0 0 228.295 2.567 10 30 BFEERN N#C[C@H](OC(=O)c1ccccc1)c1ccncc1 ZINC000034160877 398343253 /nfs/dbraw/zinc/34/32/53/398343253.db2.gz LKFRWZFQVNNSJV-ZDUSSCGKSA-N 0 0 238.246 2.503 10 30 BFEERN CN(c1ccc(C#N)c(Cl)c1)C1CC1 ZINC000061850811 398344498 /nfs/dbraw/zinc/34/44/98/398344498.db2.gz XXLRNSWRFKBANG-UHFFFAOYSA-N 0 0 206.676 2.810 10 30 BFEERN OCCC#Cc1ccc(Cl)cc1Cl ZINC000034531022 346902166 /nfs/dbraw/zinc/90/21/66/346902166.db2.gz VQECEPGEMYAAJU-UHFFFAOYSA-N 0 0 215.079 2.727 10 30 BFEERN C#Cc1cccc(NC(=O)c2ccc(O)cc2)c1 ZINC000019836742 187205841 /nfs/dbraw/zinc/20/58/41/187205841.db2.gz PIECLDGXBHKULU-UHFFFAOYSA-N 0 0 237.258 2.626 10 30 BFEERN C=C(Cl)COc1ccc(CO)cc1OCC ZINC000020031362 187206367 /nfs/dbraw/zinc/20/63/67/187206367.db2.gz IVTYBOWPJQNGKM-UHFFFAOYSA-N 0 0 242.702 2.709 10 30 BFEERN CCOc1ccccc1C1=CC(=O)C[C@@](C)(O)C1 ZINC000040174890 342959272 /nfs/dbraw/zinc/95/92/72/342959272.db2.gz NCBAYKPJZXHEEF-HNNXBMFYSA-N 0 0 246.306 2.583 10 30 BFEERN C=C(C)COc1cc(OCCC)ccc1CO ZINC000035414067 187208634 /nfs/dbraw/zinc/20/86/34/187208634.db2.gz ZTCYJYYWFIPDGN-UHFFFAOYSA-N 0 0 236.311 2.923 10 30 BFEERN C=C(Cl)C[NH2+][C@@H]1CSCCC1(C)C ZINC000167725315 346911131 /nfs/dbraw/zinc/91/11/31/346911131.db2.gz JGBWJNPPFZMWAJ-SECBINFHSA-N 0 0 219.781 2.860 10 30 BFEERN Nc1ccc(O)c(C#CCCc2ccccc2)c1 ZINC000036449541 343002597 /nfs/dbraw/zinc/00/25/97/343002597.db2.gz MCIFKWFNXOUIFU-UHFFFAOYSA-N 0 0 237.302 2.959 10 30 BFEERN N#Cc1ccnc2c1ccc1cccnc12 ZINC000117730863 343014116 /nfs/dbraw/zinc/01/41/16/343014116.db2.gz CUXAWUIILQTNRW-UHFFFAOYSA-N 0 0 205.220 2.655 10 30 BFEERN C=CCCC(=O)N[C@@H](C)COCc1ccccc1 ZINC000172974315 187226917 /nfs/dbraw/zinc/22/69/17/187226917.db2.gz PBGPIVRRIHRYOJ-ZDUSSCGKSA-N 0 0 247.338 2.674 10 30 BFEERN C[C@]1(C#N)CCCN1C(=O)OCc1ccccc1 ZINC000144300062 362018028 /nfs/dbraw/zinc/01/80/28/362018028.db2.gz PAOHLHLDFLOTCD-CQSZACIVSA-N 0 0 244.294 2.701 10 30 BFEERN N#CC[C@@H]1CC[C@@H](c2ncc(Cl)s2)O1 ZINC000306662878 362022023 /nfs/dbraw/zinc/02/20/23/362022023.db2.gz QBMJERJZVYWPFI-BQBZGAKWSA-N 0 0 228.704 2.930 10 30 BFEERN N#Cc1cccc(C2CCC(O)CC2)c1 ZINC000141620610 343096892 /nfs/dbraw/zinc/09/68/92/343096892.db2.gz GSUIAYSJVMJAAY-UHFFFAOYSA-N 0 0 201.269 2.577 10 30 BFEERN C[C@H](C#N)Sc1ccc(Cl)cc1N ZINC000043516557 343117998 /nfs/dbraw/zinc/11/79/98/343117998.db2.gz LPFIBYCDYDRZHL-ZCFIWIBFSA-N 0 0 212.705 2.926 10 30 BFEERN C=C1CCC(CCOC)(C(=O)OCC)CC1 ZINC000112927934 343120247 /nfs/dbraw/zinc/12/02/47/343120247.db2.gz OCNMELSHKNHILV-UHFFFAOYSA-N 0 0 226.316 2.703 10 30 BFEERN CCCC(=O)O/N=C/c1ccc(C)cc1 ZINC000207646877 343122266 /nfs/dbraw/zinc/12/22/66/343122266.db2.gz NJWFXGGCLVUZOC-UKTHLTGXSA-N 0 0 205.257 2.672 10 30 BFEERN CC(C)(C)Cc1noc(CCCC#N)n1 ZINC000232491925 136270889 /nfs/dbraw/zinc/27/08/89/136270889.db2.gz HFTABFHBNYOEJC-UHFFFAOYSA-N 0 0 207.277 2.504 10 30 BFEERN CCc1c(CC#N)c2ccccn2c1C(C)=O ZINC000143325189 343123804 /nfs/dbraw/zinc/12/38/04/343123804.db2.gz DUBJGRUSOZLFHZ-UHFFFAOYSA-N 0 0 226.279 2.770 10 30 BFEERN C[C@@H](C#N)Sc1ccccc1[N+](=O)[O-] ZINC000043522799 343125582 /nfs/dbraw/zinc/12/55/82/343125582.db2.gz WDAOTTPUBPJBRY-ZETCQYMHSA-N 0 0 208.242 2.599 10 30 BFEERN CN(c1ccccc1)[C@@H](C#N)C(C)(C)F ZINC000144737944 343137808 /nfs/dbraw/zinc/13/78/08/343137808.db2.gz CTRCIVNWWRRYGP-NSHDSACASA-N 0 0 206.264 2.763 10 30 BFEERN N#CCC[C@@](C#N)(c1ccccc1)c1cnccn1 ZINC000005488751 187248112 /nfs/dbraw/zinc/24/81/12/187248112.db2.gz FWZLSJMQKWJVGA-OAHLLOKOSA-N 0 0 248.289 2.590 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000334542133 136276910 /nfs/dbraw/zinc/27/69/10/136276910.db2.gz UOAOKKBGDCQOAT-JQWIXIFHSA-N 0 0 204.317 2.601 10 30 BFEERN CNc1ccc(C#N)cc1C(F)(F)F ZINC000001725719 187245224 /nfs/dbraw/zinc/24/52/24/187245224.db2.gz CUQKCBZDSGYDEI-UHFFFAOYSA-N 0 0 200.163 2.619 10 30 BFEERN C[C@@]1(C(=O)/C=C\c2ccc(Cl)cc2)CO1 ZINC000033378741 343252421 /nfs/dbraw/zinc/25/24/21/343252421.db2.gz FTICWRZAOPJWHT-KMSCOEIWSA-N 0 0 222.671 2.711 10 30 BFEERN Cc1cccc(C#N)c1OCC(=O)OC(C)(C)C ZINC000200140028 343268136 /nfs/dbraw/zinc/26/81/36/343268136.db2.gz XYHNFUIYWHNZIY-UHFFFAOYSA-N 0 0 247.294 2.587 10 30 BFEERN N#Cc1ccc(Nc2ccccc2F)nc1 ZINC000019477934 187253115 /nfs/dbraw/zinc/25/31/15/187253115.db2.gz ZJYOUKYGNFEMNB-UHFFFAOYSA-N 0 0 213.215 2.836 10 30 BFEERN C[N@H+](CC#CC(F)(F)F)Cc1ccccc1 ZINC000139113690 343276904 /nfs/dbraw/zinc/27/69/04/343276904.db2.gz AQYHPRFLRYTFLX-UHFFFAOYSA-N 0 0 227.229 2.684 10 30 BFEERN C[C@@H]1CC[C@@H](C(=O)CC#CC(C)(C)C)O1 ZINC000300719748 343323821 /nfs/dbraw/zinc/32/38/21/343323821.db2.gz BCHFKJSZBRKHOR-PWSUYJOCSA-N 0 0 208.301 2.563 10 30 BFEERN CC(C)/C=C/C(=O)c1nc2ccccc2[nH]1 ZINC000026462497 187255268 /nfs/dbraw/zinc/25/52/68/187255268.db2.gz SWAAKDWCRCFLNS-BQYQJAHWSA-N 0 0 214.268 2.958 10 30 BFEERN N#C[C@@H](c1ccccc1F)N1CCCCC1 ZINC000019934195 187253378 /nfs/dbraw/zinc/25/33/78/187253378.db2.gz HMIVZKQFZWXWDD-ZDUSSCGKSA-N 0 0 218.275 2.876 10 30 BFEERN CC(=O)O/N=C(C)/C=C\c1ccccc1 ZINC000033319405 187256190 /nfs/dbraw/zinc/25/61/90/187256190.db2.gz XZKLOHCAPLMVJQ-JQHRQWORSA-N 0 0 203.241 2.639 10 30 BFEERN COc1ccc(OC[C@@H]2CO2)c2ccccc12 ZINC000035645031 187258072 /nfs/dbraw/zinc/25/80/72/187258072.db2.gz AVLUBEJQNBBJCK-JTQLQIEISA-N 0 0 230.263 2.626 10 30 in-vitro BFEERN N#C[C@]1(NCC2CC2)CCSc2ccccc21 ZINC000037946869 187261715 /nfs/dbraw/zinc/26/17/15/187261715.db2.gz DRBZZIDWAQTGRV-CQSZACIVSA-N 0 0 244.363 2.901 10 30 BFEERN CN[C@@H](C#N)c1cc(Cl)ccc1Cl ZINC000234393999 343465493 /nfs/dbraw/zinc/46/54/93/343465493.db2.gz YLIDRBPCMYZVMH-VIFPVBQESA-N 0 0 215.083 2.777 10 30 BFEERN N#Cc1ccc(Oc2cc(Cl)ncn2)cc1 ZINC000040422342 187263239 /nfs/dbraw/zinc/26/32/39/187263239.db2.gz XRFPKGIVUOCVPH-UHFFFAOYSA-N 0 0 231.642 2.794 10 30 BFEERN CC(C)N(CCC#N)c1ncnc2ccccc21 ZINC000042530848 187265975 /nfs/dbraw/zinc/26/59/75/187265975.db2.gz UACRNDSBNNCRQL-UHFFFAOYSA-N 0 0 240.310 2.758 10 30 BFEERN CC(C)C[C@H](C)N(C)c1ncccc1C#N ZINC000042591811 187266530 /nfs/dbraw/zinc/26/65/30/187266530.db2.gz KHNRYFCSGYMEFJ-NSHDSACASA-N 0 0 217.316 2.824 10 30 BFEERN N#Cc1cc(OC(F)(F)F)cc(C(F)F)n1 ZINC000309494597 343620618 /nfs/dbraw/zinc/62/06/18/343620618.db2.gz CMHWJWOSZKRFHV-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN CCC[C@H](C#N)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000044812140 187268453 /nfs/dbraw/zinc/26/84/53/187268453.db2.gz PQIUPQPTOXYWID-SDDRHHMPSA-N 0 0 222.332 2.716 10 30 BFEERN CC[C@H](C)C[C@@]1(CC)O[C@]1(Cl)C(=O)OC ZINC000300032786 537802236 /nfs/dbraw/zinc/80/22/36/537802236.db2.gz WBQVWOPMGVFQIO-JMJZKYOTSA-N 0 0 234.723 2.710 10 30 BFEERN Cc1ccc2c(c1)[C@@]1(C)C=C/C(=N\O)C[C@H]1O2 ZINC000206565670 343697693 /nfs/dbraw/zinc/69/76/93/343697693.db2.gz LGOUEPGSRBASBF-BNQVXVOMSA-N 0 0 229.279 2.804 10 30 BFEERN CCc1nccn1-c1cc(C)ccc1C#N ZINC000051598295 187270860 /nfs/dbraw/zinc/27/08/60/187270860.db2.gz CCXJKTCHRYMATP-UHFFFAOYSA-N 0 0 211.268 2.615 10 30 BFEERN COc1cc2c(c(OC)c1OC)C(=O)C(C)=C2C ZINC000206673934 343703077 /nfs/dbraw/zinc/70/30/77/343703077.db2.gz YQRFTNJXCLRBIY-UHFFFAOYSA-N 0 0 248.278 2.702 10 30 BFEERN C[C@@H](CC#N)C(=O)c1cnn(-c2ccccc2)c1 ZINC000048259123 187269570 /nfs/dbraw/zinc/26/95/70/187269570.db2.gz KDBRIVXKSNAIJI-NSHDSACASA-N 0 0 239.278 2.605 10 30 BFEERN Cc1ccc(C(=O)[C@@H](C)C#N)cc1Cl ZINC000063021907 343747899 /nfs/dbraw/zinc/74/78/99/343747899.db2.gz CDPJSHQUDWJWCL-QMMMGPOBSA-N 0 0 207.660 2.991 10 30 BFEERN CC#CCC(=O)C(C)(C)c1ccccc1 ZINC000062772891 346963885 /nfs/dbraw/zinc/96/38/85/346963885.db2.gz HFZVVUNIVDWUDZ-UHFFFAOYSA-N 0 0 200.281 2.947 10 30 BFEERN C#C[C@H]1CC12CCN(C(=O)OC(C)(C)C)CC2 ZINC000409430550 343808827 /nfs/dbraw/zinc/80/88/27/343808827.db2.gz GZAJGEZQGRLLNE-NSHDSACASA-N 0 0 235.327 2.657 10 30 BFEERN CC#CC[C@H](O)c1ccc(Cl)cc1F ZINC000062785519 346989078 /nfs/dbraw/zinc/98/90/78/346989078.db2.gz PMHXLDHXMUFTMC-NSHDSACASA-N 0 0 212.651 2.926 10 30 BFEERN CC(C)c1cc(-c2ccncc2)nn1CC#N ZINC000409442084 343857171 /nfs/dbraw/zinc/85/71/71/343857171.db2.gz WKLZIBXNKPKXPF-UHFFFAOYSA-N 0 0 226.283 2.592 10 30 BFEERN N#CCCc1c(C2CC2)n[nH]c1C1CC1 ZINC000409442424 343858408 /nfs/dbraw/zinc/85/84/08/343858408.db2.gz ZTOKYLNKYGKYTM-UHFFFAOYSA-N 0 0 201.273 2.621 10 30 BFEERN CCc1[nH]nc(-c2ccco2)c1CCC#N ZINC000409441549 343859596 /nfs/dbraw/zinc/85/95/96/343859596.db2.gz RSSIGCJPJTYKCU-UHFFFAOYSA-N 0 0 215.256 2.688 10 30 BFEERN CC#CCOCc1nc2ccccc2s1 ZINC000045235929 187354349 /nfs/dbraw/zinc/35/43/49/187354349.db2.gz GEZDVLWORRROJJ-UHFFFAOYSA-N 0 0 217.293 2.836 10 30 BFEERN N#CCC(=O)c1cccc(Br)c1F ZINC000075903717 187278169 /nfs/dbraw/zinc/27/81/69/187278169.db2.gz NJRKFWCKFGIQSI-UHFFFAOYSA-N 0 0 242.047 2.685 10 30 BFEERN Cc1cc(Br)c(F)cc1NCC#N ZINC000135230076 343974409 /nfs/dbraw/zinc/97/44/09/343974409.db2.gz DUTNNMDSHZVDRD-UHFFFAOYSA-N 0 0 243.079 2.832 10 30 BFEERN CC#CCOc1ccc2ccccc2c1CO ZINC000051664070 187357984 /nfs/dbraw/zinc/35/79/84/187357984.db2.gz CGEOFDALRLSCHL-UHFFFAOYSA-N 0 0 226.275 2.734 10 30 BFEERN C#CC(=O)c1cccc(C)c1Br ZINC000235775912 344130157 /nfs/dbraw/zinc/13/01/57/344130157.db2.gz XEXHNQABJAUKQS-UHFFFAOYSA-N 0 0 223.069 2.573 10 30 BFEERN C#Cc1cnn(C/C=C/c2ccccc2)c1 ZINC000585143088 344176419 /nfs/dbraw/zinc/17/64/19/344176419.db2.gz ZYHFPGPZCPLTFB-RMKNXTFCSA-N 0 0 208.264 2.578 10 30 BFEERN O=CCSc1ccccc1Br ZINC000043803882 344225370 /nfs/dbraw/zinc/22/53/70/344225370.db2.gz LMDOKBOXYVDHDM-UHFFFAOYSA-N 0 0 231.114 2.740 10 30 BFEERN CO[C@@H](C#N)c1cc(F)ccc1Br ZINC000234721963 344231909 /nfs/dbraw/zinc/23/19/09/344231909.db2.gz YJUHPMJHGHCUOK-VIFPVBQESA-N 0 0 244.063 2.799 10 30 BFEERN N#Cc1ccc2ccc(Cn3ccnc3)cc2c1 ZINC000219210990 344267243 /nfs/dbraw/zinc/26/72/43/344267243.db2.gz DIDVAZWRICEBQR-UHFFFAOYSA-N 0 0 233.274 2.956 10 30 BFEERN CC(C)CC=C1C(=O)c2ccccc2C(=O)C1N ZINC000027709655 344289604 /nfs/dbraw/zinc/28/96/04/344289604.db2.gz NVZQPCXOHLOGSB-UHFFFAOYSA-N 0 0 243.306 2.715 10 30 BFEERN CC#CC[C@H](O)c1ccc(F)c(Cl)c1 ZINC000062791894 347048064 /nfs/dbraw/zinc/04/80/64/347048064.db2.gz LLLFQKAVOGPXHJ-NSHDSACASA-N 0 0 212.651 2.926 10 30 BFEERN C[C@@]1(C(=O)/C=C/c2ccccc2Cl)CO1 ZINC000215539965 344445612 /nfs/dbraw/zinc/44/56/12/344445612.db2.gz IOCZCDJHRFETPC-SYTKJHMZSA-N 0 0 222.671 2.711 10 30 BFEERN COc1ccc(CN[C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000054823505 344457742 /nfs/dbraw/zinc/45/77/42/344457742.db2.gz LFXRVFKYLYDMJD-UKRRQHHQSA-N 0 0 244.338 2.867 10 30 BFEERN C[C@@H](c1ccccc1)c1cc(C#N)ncn1 ZINC000409436609 344461154 /nfs/dbraw/zinc/46/11/54/344461154.db2.gz MVGROUIUOAJAEP-JTQLQIEISA-N 0 0 209.252 2.500 10 30 BFEERN N#Cc1cn(CC2CC2)nc1-c1ccsc1 ZINC000409440468 344463385 /nfs/dbraw/zinc/46/33/85/344463385.db2.gz TZXDUBPABHNTKL-UHFFFAOYSA-N 0 0 229.308 2.893 10 30 BFEERN N#Cc1c(-c2cccs2)n[nH]c1C1CC1 ZINC000409437908 344463454 /nfs/dbraw/zinc/46/34/54/344463454.db2.gz AYIHIZCBMYTJPO-UHFFFAOYSA-N 0 0 215.281 2.887 10 30 BFEERN N#Cc1cc(C(F)(F)F)nn1C1CCCC1 ZINC000409442904 344467246 /nfs/dbraw/zinc/46/72/46/344467246.db2.gz CWBCSRLIRRRTLD-UHFFFAOYSA-N 0 0 229.205 2.889 10 30 BFEERN CCn1nc(-c2ccsc2)cc1C#N ZINC000409443124 344467273 /nfs/dbraw/zinc/46/72/73/344467273.db2.gz HKZHLPZQVLJHMX-UHFFFAOYSA-N 0 0 203.270 2.503 10 30 BFEERN N#Cc1cnc(N[C@H]2CCC[C@@H]2C#N)c(Cl)c1 ZINC000408328667 344507436 /nfs/dbraw/zinc/50/74/36/344507436.db2.gz KDQZMEAQFPDLAH-KOLCDFICSA-N 0 0 246.701 2.711 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1Nc1ncnc2sccc21 ZINC000408327481 344508254 /nfs/dbraw/zinc/50/82/54/344508254.db2.gz DNFGZSLWOSXECS-WPRPVWTQSA-N 0 0 244.323 2.795 10 30 BFEERN N#CCc1cc(OC(F)(F)F)ccc1C#N ZINC000396071446 344596252 /nfs/dbraw/zinc/59/62/52/344596252.db2.gz AVPFAJBQUZQKAI-UHFFFAOYSA-N 0 0 226.157 2.523 10 30 BFEERN CC(=O)c1cccc(OC(F)(F)F)c1C#N ZINC000396083822 344597647 /nfs/dbraw/zinc/59/76/47/344597647.db2.gz FLSICXVCRLMKDI-UHFFFAOYSA-N 0 0 229.157 2.659 10 30 BFEERN CC1(C)CC[C@](Br)(C#N)C1 ZINC000127657331 344582296 /nfs/dbraw/zinc/58/22/96/344582296.db2.gz MXLWXLAJHDUTEK-MRVPVSSYSA-N 0 0 202.095 2.854 10 30 BFEERN C[C@@H]1CCCC[C@@]1(Br)C#N ZINC000127661501 344585572 /nfs/dbraw/zinc/58/55/72/344585572.db2.gz RSCCYQATYTUPSN-HTQZYQBOSA-N 0 0 202.095 2.854 10 30 BFEERN N#CCc1c(F)ccc(F)c1OC(F)F ZINC000396129793 344612090 /nfs/dbraw/zinc/61/20/90/344612090.db2.gz WBKCNRXIWLMJQK-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN N#Cc1cc(Cl)c(N)cc1OC(F)(F)F ZINC000396141703 344615851 /nfs/dbraw/zinc/61/58/51/344615851.db2.gz FSSCTIUNESPDKI-UHFFFAOYSA-N 0 0 236.580 2.692 10 30 BFEERN N#Cc1ccc(CF)cc1OC(F)(F)F ZINC000396090696 344599612 /nfs/dbraw/zinc/59/96/12/344599612.db2.gz AWZFJFFNSPTEOV-UHFFFAOYSA-N 0 0 219.137 2.926 10 30 BFEERN CC1(C)CCSC[C@]1(Br)C#N ZINC000127687212 344600822 /nfs/dbraw/zinc/60/08/22/344600822.db2.gz HMISIHVRRUDMIU-MRVPVSSYSA-N 0 0 234.162 2.807 10 30 BFEERN Cc1ccc(N)c(Oc2ccc(C#N)cn2)c1 ZINC000036667252 178703438 /nfs/dbraw/zinc/70/34/38/178703438.db2.gz HELSBPRLSUNSEQ-UHFFFAOYSA-N 0 0 225.251 2.636 10 30 BFEERN Cc1cc(C(=O)[C@@H](C)CC#N)ccc1F ZINC000050544453 344707929 /nfs/dbraw/zinc/70/79/29/344707929.db2.gz PVSDJIKUWXCFDH-QMMMGPOBSA-N 0 0 205.232 2.867 10 30 BFEERN N#Cc1ccc(NCC[C@@H]2CCCO2)c(F)c1 ZINC000038097429 344780518 /nfs/dbraw/zinc/78/05/18/344780518.db2.gz MBTHUBNSRAOXSG-NSHDSACASA-N 0 0 234.274 2.678 10 30 BFEERN Cc1ccc(NN=Cc2ccncc2)cc1 ZINC000004920895 178710816 /nfs/dbraw/zinc/71/08/16/178710816.db2.gz PNZVHYSPRQAWGE-XNTDXEJSSA-N 0 0 211.268 2.836 10 30 BFEERN CC(C)(C)[C@@H]1CCCC[C@H]1OS(C)(=O)=O ZINC000166202593 344787749 /nfs/dbraw/zinc/78/77/49/344787749.db2.gz ZGMKTHOQALOUIA-NXEZZACHSA-N 0 0 234.361 2.568 10 30 BFEERN CC(C)c1ccc2c(c1)C(=O)[C@@H](C#N)CO2 ZINC000135777619 344889455 /nfs/dbraw/zinc/88/94/55/344889455.db2.gz GRDRXSYCCGBOBG-JTQLQIEISA-N 0 0 215.252 2.525 10 30 BFEERN N#C[C@@]1(CC[C@H]2CCCO2)CCCS1 ZINC000166459982 344901249 /nfs/dbraw/zinc/90/12/49/344901249.db2.gz MPDKIYIFZKBFCQ-MNOVXSKESA-N 0 0 211.330 2.735 10 30 BFEERN CCC[C@]1(C(=O)OCC)O[C@@]12CCC2(C)C ZINC000309184591 537876168 /nfs/dbraw/zinc/87/61/68/537876168.db2.gz GRDAMUPOHSELSJ-CHWSQXEVSA-N 0 0 226.316 2.677 10 30 BFEERN N#Cc1ncc(-c2cccc(Br)c2)o1 ZINC000260450539 344966134 /nfs/dbraw/zinc/96/61/34/344966134.db2.gz ZHWBBAPKWHBTNM-UHFFFAOYSA-N 0 0 249.067 2.976 10 30 BFEERN Cc1c(N)c(C#N)sc1-c1ccoc1 ZINC000044273676 345000902 /nfs/dbraw/zinc/00/09/02/345000902.db2.gz XLGCTLROFVFJQA-UHFFFAOYSA-N 0 0 204.254 2.770 10 30 BFEERN C=CCc1ccc(O[C@H]2CCOC2)cc1 ZINC000667946062 537893323 /nfs/dbraw/zinc/89/33/23/537893323.db2.gz JQPGGKAYJKLHQH-ZDUSSCGKSA-N 0 0 204.269 2.583 10 30 BFEERN CC#CC[C@@H](O)c1csc(Br)c1 ZINC000158873942 345379766 /nfs/dbraw/zinc/37/97/66/345379766.db2.gz DDEIHSRAFSXEAG-MRVPVSSYSA-N 0 0 245.141 2.957 10 30 BFEERN C=CCC(=O)[C@H]1CCCc2cccnc21 ZINC000128171908 345491377 /nfs/dbraw/zinc/49/13/77/345491377.db2.gz CVZDOSVRADQIRH-LLVKDONJSA-N 0 0 201.269 2.647 10 30 BFEERN C#Cc1ccccc1NC(=O)[C@@H](C)C(C)C ZINC000675078793 537898007 /nfs/dbraw/zinc/89/80/07/537898007.db2.gz LTAPVNZNTZNUPL-NSHDSACASA-N 0 0 215.296 2.899 10 30 BFEERN C=C(C)C(=O)OCCc1ccc(C)cc1 ZINC000113512457 345754323 /nfs/dbraw/zinc/75/43/23/345754323.db2.gz HKGJTSSOXHQYDQ-UHFFFAOYSA-N 0 0 204.269 2.657 10 30 BFEERN N#Cc1ccc(C#CC2CCCCC2)nc1 ZINC000113986943 345754838 /nfs/dbraw/zinc/75/48/38/345754838.db2.gz QDKSDQONWCXSLE-UHFFFAOYSA-N 0 0 210.280 2.885 10 30 BFEERN C=CCOc1noc2cc(OCC=C)c(N)cc21 ZINC000114269898 345756499 /nfs/dbraw/zinc/75/64/99/345756499.db2.gz PMAXQGNCYUFRIH-UHFFFAOYSA-N 0 0 246.266 2.540 10 30 BFEERN C#CCNc1ccc(C(=O)OC(C)(C)C)c(F)c1 ZINC000136525352 345815623 /nfs/dbraw/zinc/81/56/23/345815623.db2.gz VMVJKDGODBPJJH-UHFFFAOYSA-N 0 0 249.285 2.826 10 30 BFEERN C=CC(F)(F)[C@H](O)/C=C/c1ccccc1 ZINC000034239904 345820128 /nfs/dbraw/zinc/82/01/28/345820128.db2.gz TXWWMOAPDGXAHV-ANYFNZRUSA-N 0 0 210.223 2.882 10 30 BFEERN CC(C)(C)C(=O)C=CNOCc1ccccc1 ZINC000138835771 345787554 /nfs/dbraw/zinc/78/75/54/345787554.db2.gz YMJZKOAQZDISAW-KTKRTIGZSA-N 0 0 233.311 2.837 10 30 BFEERN C=CCNc1cc(C)c(N)cc1Br ZINC000235768192 345851721 /nfs/dbraw/zinc/85/17/21/345851721.db2.gz VUIXVRULDKRMRR-UHFFFAOYSA-N 0 0 241.132 2.938 10 30 BFEERN CO/C=C1\CCc2c1ccc(F)c2C#N ZINC000219444331 345859064 /nfs/dbraw/zinc/85/90/64/345859064.db2.gz PXACGUDGFSAHNJ-BQYQJAHWSA-N 0 0 203.216 2.631 10 30 BFEERN C=C([C@@H](O)c1ccccc1)C(F)(F)F ZINC000034515271 345830138 /nfs/dbraw/zinc/83/01/38/345830138.db2.gz IEZDCVXHGMSQMQ-SECBINFHSA-N 0 0 202.175 2.839 10 30 BFEERN Cc1ccc2c(c1)CCC(C[C@@H](N)C#N)=C2 ZINC000034452328 345834102 /nfs/dbraw/zinc/83/41/02/345834102.db2.gz SGIFNQSVXBYNJY-CQSZACIVSA-N 0 0 212.296 2.566 10 30 BFEERN CCCC#Cc1ccc(OCOC)cc1 ZINC000034481131 345835338 /nfs/dbraw/zinc/83/53/38/345835338.db2.gz PMLKYHWHEVYOGJ-UHFFFAOYSA-N 0 0 204.269 2.821 10 30 BFEERN C=CCOc1nccc(C)c1Br ZINC000235792921 345904640 /nfs/dbraw/zinc/90/46/40/345904640.db2.gz VADSEAPTJIRGQA-UHFFFAOYSA-N 0 0 228.089 2.717 10 30 BFEERN C#C[C@@H](C)Nc1ncc(Br)cc1C ZINC000166903652 345949801 /nfs/dbraw/zinc/94/98/01/345949801.db2.gz WBCVONGAZTZYNE-MRVPVSSYSA-N 0 0 239.116 2.586 10 30 BFEERN COc1ccccc1C1(OC)CCC(=NO)CC1 ZINC000146457525 345969398 /nfs/dbraw/zinc/96/93/98/345969398.db2.gz YCVPBWYDRMFCEW-UHFFFAOYSA-N 0 0 249.310 2.941 10 30 BFEERN Cc1ccc(CN[C@H]2CCCC[C@H]2C#N)nc1 ZINC000401058217 346086716 /nfs/dbraw/zinc/08/67/16/346086716.db2.gz NPOFUIPFSZVFJG-JSGCOSHPSA-N 0 0 229.327 2.562 10 30 BFEERN N#Cc1ccnc(OCc2ccc(F)cc2)c1 ZINC000150169599 346168719 /nfs/dbraw/zinc/16/87/19/346168719.db2.gz AMVWZJFEYHRDEM-UHFFFAOYSA-N 0 0 228.226 2.671 10 30 BFEERN O=C(CCS)Nc1ccc(F)cc1Cl ZINC000236194264 346206243 /nfs/dbraw/zinc/20/62/43/346206243.db2.gz XEJYYKNLWHTZES-UHFFFAOYSA-N 0 0 233.695 2.738 10 30 BFEERN Fc1ccc2c(c1)N(CCCS)CC2 ZINC000236215642 346211340 /nfs/dbraw/zinc/21/13/40/346211340.db2.gz DKXQKQVROVKCOD-UHFFFAOYSA-N 0 0 211.305 2.508 10 30 BFEERN C=CC(=O)c1cccc(Br)c1F ZINC000236218261 346211529 /nfs/dbraw/zinc/21/15/29/346211529.db2.gz QYJZUCIUDHPZOK-UHFFFAOYSA-N 0 0 229.048 2.957 10 30 BFEERN CC(C)(C)c1ccc([C@@H](O)C[C@@H]2CO2)cc1 ZINC000147802695 537954561 /nfs/dbraw/zinc/95/45/61/537954561.db2.gz KGZBRTARSCGMCI-OLZOCXBDSA-N 0 0 220.312 2.806 10 30 BFEERN C[C@H]1CC(=O)N(O)[C@@H](C2CCCCC2)C1 ZINC000167234050 346219115 /nfs/dbraw/zinc/21/91/15/346219115.db2.gz UROBTFUKKTVWHY-MWLCHTKSSA-N 0 0 211.305 2.583 10 30 BFEERN COc1cccc(CC#N)c1Br ZINC000034319696 346247052 /nfs/dbraw/zinc/24/70/52/346247052.db2.gz VFPUUTVNFLDGGA-UHFFFAOYSA-N 0 0 226.073 2.524 10 30 BFEERN O=CC[C@@H](O)c1cc(Cl)ccc1Cl ZINC000236535546 346247258 /nfs/dbraw/zinc/24/72/58/346247258.db2.gz CATIASSWUSGYHF-SECBINFHSA-N 0 0 219.067 2.616 10 30 BFEERN C=C[C@@](C)(OC(C)=O)c1ccc(C)cc1 ZINC000039105270 187317977 /nfs/dbraw/zinc/31/79/77/187317977.db2.gz CMOSSBCIRSWBGY-CYBMUJFWSA-N 0 0 204.269 2.959 10 30 BFEERN C=C(C)CN(CC)c1[nH+]c(C)cc(C)c1C(=O)[O-] ZINC000038010199 187318616 /nfs/dbraw/zinc/31/86/16/187318616.db2.gz LQKAWPDUIZFYRK-UHFFFAOYSA-N 0 0 248.326 2.799 10 30 BFEERN O=CCCSc1ccc(F)c(F)c1 ZINC000062546523 346278926 /nfs/dbraw/zinc/27/89/26/346278926.db2.gz BZSHEZLGCKZNSW-UHFFFAOYSA-N 0 0 202.225 2.646 10 30 BFEERN O=C(/C=C\c1ccccc1)[C@]12CCCC[C@H]1O2 ZINC000575173145 346468470 /nfs/dbraw/zinc/46/84/70/346468470.db2.gz NGZQTNPQEMVTTL-KMUBWGIJSA-N 0 0 228.291 2.981 10 30 BFEERN C=C(C)C(=O)c1snnc1C(C)(C)C ZINC000161113589 346476263 /nfs/dbraw/zinc/47/62/63/346476263.db2.gz AJJAEKSCALZDKE-UHFFFAOYSA-N 0 0 210.302 2.594 10 30 BFEERN Cc1cccc(Cl)c1NC(=O)CS ZINC000000394101 179107843 /nfs/dbraw/zinc/10/78/43/179107843.db2.gz YYAPMJNXZINXCF-UHFFFAOYSA-N 0 0 215.705 2.517 10 30 BFEERN Cc1cccc(NC(=O)CC#N)c1Cl ZINC000001613837 179126228 /nfs/dbraw/zinc/12/62/28/179126228.db2.gz AUDYGHUIHVICCD-UHFFFAOYSA-N 0 0 208.648 2.501 10 30 BFEERN C=CCCC(=O)c1ccc(N(C)C)cc1 ZINC000106881398 346655194 /nfs/dbraw/zinc/65/51/94/346655194.db2.gz CBGMQVRYRHNGEA-UHFFFAOYSA-N 0 0 203.285 2.902 10 30 BFEERN Cc1noc(/N=C/c2ccccc2O)c1C ZINC000169458355 346761369 /nfs/dbraw/zinc/76/13/69/346761369.db2.gz QEYYGAZKGAGZPF-NTUHNPAUSA-N 0 0 216.240 2.748 10 30 BFEERN Cc1cccc(Nc2ncc(N)cc2C#N)c1 ZINC000037759010 179160128 /nfs/dbraw/zinc/16/01/28/179160128.db2.gz CNBREWRSJWOOJF-UHFFFAOYSA-N 0 0 224.267 2.588 10 30 BFEERN CCOC(=O)CC1([C@@H]2CO2)CCC(CC)CC1 ZINC000675055244 537986756 /nfs/dbraw/zinc/98/67/56/537986756.db2.gz ZOSWYLFUEZJDLY-LXVYMNJGSA-N 0 0 240.343 2.925 10 30 BFEERN Cc1cccc(Oc2ccc(C#N)cn2)c1N ZINC000035283722 179175667 /nfs/dbraw/zinc/17/56/67/179175667.db2.gz ZDWMPWATZSSDJA-UHFFFAOYSA-N 0 0 225.251 2.636 10 30 BFEERN CCCC(CCC)(CCC=O)[N+](=O)[O-] ZINC000026492764 168579075 /nfs/dbraw/zinc/57/90/75/168579075.db2.gz PJRWSKIMVUOVCK-UHFFFAOYSA-N 0 0 201.266 2.581 10 30 BFEERN N#Cc1ccc2c(c1)OCc1ccccc1C2=O ZINC000196396696 347875288 /nfs/dbraw/zinc/87/52/88/347875288.db2.gz UIOVJZHYJUIERX-UHFFFAOYSA-N 0 0 235.242 2.682 10 30 BFEERN CC[C@H](C#N)C(=O)c1ccc(Br)o1 ZINC000036915995 347963813 /nfs/dbraw/zinc/96/38/13/347963813.db2.gz BAXVJJBEXFATGU-ZCFIWIBFSA-N 0 0 242.072 2.775 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1Sc1nncs1 ZINC000037155679 348025462 /nfs/dbraw/zinc/02/54/62/348025462.db2.gz JVIHCEFAOYRIOU-YUMQZZPRSA-N 0 0 225.342 2.713 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1Sc1ccccn1 ZINC000037155193 348025503 /nfs/dbraw/zinc/02/55/03/348025503.db2.gz ARFBZQKGWVFQFF-UWVGGRQHSA-N 0 0 204.298 2.866 10 30 BFEERN CC/N=C/c1ccccc1Br ZINC000197187153 348118000 /nfs/dbraw/zinc/11/80/00/348118000.db2.gz SPIFJULPYCFTKD-YRNVUSSQSA-N 0 0 212.090 2.888 10 30 BFEERN CCC#C[C@H](C)N[C@@H](C)c1csc(C)n1 ZINC000389624503 538000053 /nfs/dbraw/zinc/00/00/53/538000053.db2.gz JWSLWWHZKKMNGO-UWVGGRQHSA-N 0 0 222.357 2.904 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1NCc1ccncc1Cl ZINC000595688535 348313869 /nfs/dbraw/zinc/31/38/69/348313869.db2.gz FUOHIMBMZXSLGN-GXFFZTMASA-N 0 0 249.745 2.907 10 30 BFEERN Cc1ncccc1CN[C@@H]1CCCC[C@@H]1C#N ZINC000595689572 348315086 /nfs/dbraw/zinc/31/50/86/348315086.db2.gz MPIUJYDVSFVSSE-TZMCWYRMSA-N 0 0 229.327 2.562 10 30 BFEERN N#C[C@H](c1ccsc1)N1CCCCC1 ZINC000037356897 348346933 /nfs/dbraw/zinc/34/69/33/348346933.db2.gz URNMAZBYXQAQBX-LLVKDONJSA-N 0 0 206.314 2.799 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1CCC2(CC2)CC1 ZINC000597338421 348719688 /nfs/dbraw/zinc/71/96/88/348719688.db2.gz HLKFCNSRWPEMII-QWHCGFSZSA-N 0 0 246.354 2.765 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000597339784 348720465 /nfs/dbraw/zinc/72/04/65/348720465.db2.gz NZAQEVMZQHFBTF-AVGNSLFASA-N 0 0 246.354 2.765 10 30 BFEERN CC=C=CC(=O)c1ccc(Br)o1 ZINC000167879296 349288149 /nfs/dbraw/zinc/28/81/49/349288149.db2.gz SHFRAZQOSBOZJD-UHFFFAOYSA-N 0 0 227.057 2.638 10 30 BFEERN CCc1ccc(C#CC[C@@H](O)C(F)(F)F)cc1 ZINC000616581096 349261790 /nfs/dbraw/zinc/26/17/90/349261790.db2.gz DUYSBAQSROVIFG-GFCCVEGCSA-N 0 0 242.240 2.914 10 30 BFEERN CCC[C@]1(C(=O)OCC)O[C@@]12CCC[C@H]2C ZINC000251196521 538037271 /nfs/dbraw/zinc/03/72/71/538037271.db2.gz UNFYRXGJOCQUBE-RAIGVLPGSA-N 0 0 226.316 2.677 10 30 BFEERN CCC(C#N)(CC)C(=O)N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000600076107 349287330 /nfs/dbraw/zinc/28/73/30/349287330.db2.gz UWBUPLJHTSAJDA-QJPTWQEYSA-N 0 0 234.343 2.621 10 30 BFEERN C#CCC[C@H](O)c1sccc1Br ZINC000228013911 350005046 /nfs/dbraw/zinc/00/50/46/350005046.db2.gz RZHDYNPQYASJAN-QMMMGPOBSA-N 0 0 245.141 2.957 10 30 BFEERN O=CC[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000159376281 350082200 /nfs/dbraw/zinc/08/22/00/350082200.db2.gz IHDCTFFQYHGLQV-SECBINFHSA-N 0 0 219.067 2.616 10 30 BFEERN CC(C)(O)c1ccc([C@H](C#N)CC2CC2)cn1 ZINC000217349026 350050498 /nfs/dbraw/zinc/05/04/98/350050498.db2.gz RPIZYMDWBUXFSN-LBPRGKRZSA-N 0 0 230.311 2.716 10 30 BFEERN N#CC1(c2ccc(C(F)(F)F)cc2)CC(=O)C1 ZINC000218449195 350094419 /nfs/dbraw/zinc/09/44/19/350094419.db2.gz VZTRHWUNMZOELG-UHFFFAOYSA-N 0 0 239.196 2.830 10 30 BFEERN N#C[C@H](O[C@@H]1CCCCO1)c1ccccc1 ZINC000038221358 350112807 /nfs/dbraw/zinc/11/28/07/350112807.db2.gz MVSFLKZTEIXNEN-QWHCGFSZSA-N 0 0 217.268 2.794 10 30 BFEERN C=C[C@@](O)(c1ccc(F)cc1)c1cccnc1 ZINC000039271815 350113993 /nfs/dbraw/zinc/11/39/93/350113993.db2.gz VIHHJGQRRANUJT-CQSZACIVSA-N 0 0 229.254 2.643 10 30 BFEERN Cc1nc2c(C#N)cnn2c(Cl)c1C(C)C ZINC000071475551 180061809 /nfs/dbraw/zinc/06/18/09/180061809.db2.gz LFRWTSAREGGSDH-UHFFFAOYSA-N 0 0 234.690 2.686 10 30 BFEERN Cc1nc2c(Cl)cc(Cl)cn2c1C#N ZINC000036244219 180064120 /nfs/dbraw/zinc/06/41/20/180064120.db2.gz TUGCFKATMNELPM-UHFFFAOYSA-N 0 0 226.066 2.821 10 30 BFEERN Cc1nc2cccnc2n1Cc1ccccc1C#N ZINC000075973344 180106646 /nfs/dbraw/zinc/10/66/46/180106646.db2.gz TXOMXUNQQSQXEN-UHFFFAOYSA-N 0 0 248.289 2.660 10 30 BFEERN C[Si](C)(C)C#Cc1cncc(Cl)c1 ZINC000197637330 191060442 /nfs/dbraw/zinc/06/04/42/191060442.db2.gz NAMUZWXILOMIGX-UHFFFAOYSA-N 0 0 209.752 2.964 10 30 BFEERN Cc1ccc([C@@]2(C=O)C[C@@H](F)C2)cc1C ZINC000725258962 538078198 /nfs/dbraw/zinc/07/81/98/538078198.db2.gz IXGYWBPUZVXAMB-BETUJISGSA-N 0 0 206.260 2.872 10 30 BFEERN Cc1ccc(NC(=O)CS)c(Cl)c1 ZINC000000152537 350319343 /nfs/dbraw/zinc/31/93/43/350319343.db2.gz BZVCBRFUHPDTHF-UHFFFAOYSA-N 0 0 215.705 2.517 10 30 BFEERN Cc1ncn(-c2c(C#N)cnc3ccccc32)c1C ZINC000051926927 180285795 /nfs/dbraw/zinc/28/57/95/180285795.db2.gz LGRYOZUBOOJREC-UHFFFAOYSA-N 0 0 248.289 2.909 10 30 BFEERN C[C@@H](C#N)Nc1ccc(Br)cc1 ZINC000037936358 350292676 /nfs/dbraw/zinc/29/26/76/350292676.db2.gz VLPMBHPUTVLWBP-ZETCQYMHSA-N 0 0 225.089 2.773 10 30 BFEERN Cc1nn(-c2ccc(Cl)cc2C#N)c(C)c1N ZINC000052859167 180328265 /nfs/dbraw/zinc/32/82/65/180328265.db2.gz STEVBNSKKASURB-UHFFFAOYSA-N 0 0 246.701 2.596 10 30 BFEERN Cc1ncsc1CNc1ccc(N)cc1C#N ZINC000071212988 180323963 /nfs/dbraw/zinc/32/39/63/180323963.db2.gz OXUZHADWHJSUHX-UHFFFAOYSA-N 0 0 244.323 2.518 10 30 BFEERN CCCCC/C(=N/NC(N)=S)c1ccccc1 ZINC000035003696 168631277 /nfs/dbraw/zinc/63/12/77/168631277.db2.gz JDUCHZITNJKBHX-QINSGFPZSA-N 0 0 249.383 2.804 10 30 BFEERN O=C1C=C(c2cncc(F)c2)CCCC1 ZINC000230163295 350596199 /nfs/dbraw/zinc/59/61/99/350596199.db2.gz LFIJDGPDBRSCQJ-UHFFFAOYSA-N 0 0 205.232 2.747 10 30 BFEERN O=CC[C@H](O)c1cc(Cl)ccc1Cl ZINC000236523032 350737955 /nfs/dbraw/zinc/73/79/55/350737955.db2.gz CATIASSWUSGYHF-VIFPVBQESA-N 0 0 219.067 2.616 10 30 BFEERN N#Cc1ccc(NC(=O)Oc2ccccc2)nc1 ZINC000051953442 350778999 /nfs/dbraw/zinc/77/89/99/350778999.db2.gz BGVAIBDDJMMAML-UHFFFAOYSA-N 0 0 239.234 2.564 10 30 BFEERN CCOC(=O)N1CCC[C@H]1c1ccccc1C#N ZINC000616607919 350802417 /nfs/dbraw/zinc/80/24/17/350802417.db2.gz XKLKGFOWORFPMU-ZDUSSCGKSA-N 0 0 244.294 2.852 10 30 BFEERN C[C@@H]1CCC[C@H]([C@H]2CCC[C@@H](C=O)O2)C1 ZINC000306720648 350879402 /nfs/dbraw/zinc/87/94/02/350879402.db2.gz CYJJQVPTAHAENY-MROQNXINSA-N 0 0 210.317 2.949 10 30 BFEERN C[C@@H]1CCC[C@H]([C@@H]2CCC[C@@H](C=O)O2)C1 ZINC000306720650 350879720 /nfs/dbraw/zinc/87/97/20/350879720.db2.gz CYJJQVPTAHAENY-VOAKCMCISA-N 0 0 210.317 2.949 10 30 BFEERN O=C[C@H]1CC[C@H](c2cc(F)cc(Cl)c2)O1 ZINC000306722096 350889088 /nfs/dbraw/zinc/88/90/88/350889088.db2.gz FHPYINXIZAASAY-GHMZBOCLSA-N 0 0 228.650 2.898 10 30 BFEERN O=C[C@H]1CC[C@@H](c2cc(F)cc(Cl)c2)O1 ZINC000306722097 350889173 /nfs/dbraw/zinc/88/91/73/350889173.db2.gz FHPYINXIZAASAY-MNOVXSKESA-N 0 0 228.650 2.898 10 30 BFEERN CC[C@H](C#N)[S@](=O)[C@H]1CCC[C@@H](C)C1 ZINC000251227820 350893804 /nfs/dbraw/zinc/89/38/04/350893804.db2.gz PFJGNSWELOHHSD-PUHVVEEASA-N 0 0 213.346 2.616 10 30 BFEERN Cc1ccc(C)c(C(=O)C2=COCC2)c1 ZINC000306725783 350896327 /nfs/dbraw/zinc/89/63/27/350896327.db2.gz LFTDOOCGAOOSQL-UHFFFAOYSA-N 0 0 202.253 2.790 10 30 BFEERN Cc1cccc(C(=O)[C@@H](C)C#N)c1Cl ZINC000129113106 350985221 /nfs/dbraw/zinc/98/52/21/350985221.db2.gz NFCAPCGELHQGLF-QMMMGPOBSA-N 0 0 207.660 2.991 10 30 BFEERN C=C[C@H](O)c1c(F)cccc1Br ZINC000129142202 350996258 /nfs/dbraw/zinc/99/62/58/350996258.db2.gz CWRYJSJGBLXIQC-QMMMGPOBSA-N 0 0 231.064 2.808 10 30 BFEERN C=C[C@@H](O)c1c(F)cccc1Br ZINC000129142440 350996455 /nfs/dbraw/zinc/99/64/55/350996455.db2.gz CWRYJSJGBLXIQC-MRVPVSSYSA-N 0 0 231.064 2.808 10 30 BFEERN CC#CCCC(=O)c1cc(C)nc(C)c1 ZINC000231656532 351036097 /nfs/dbraw/zinc/03/60/97/351036097.db2.gz YHXQYMDWWYCPJF-UHFFFAOYSA-N 0 0 201.269 2.685 10 30 BFEERN C=C(C(=O)c1cncc(C)c1)C(F)(F)F ZINC000306808399 351061120 /nfs/dbraw/zinc/06/11/20/351061120.db2.gz OYRGKKHGNYMRSR-UHFFFAOYSA-N 0 0 215.174 2.691 10 30 BFEERN C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000398138159 351010622 /nfs/dbraw/zinc/01/06/22/351010622.db2.gz IAWXGQILNHMTMN-RVMXOQNASA-N 0 0 221.344 2.894 10 30 BFEERN C#CC(C)(C)Nc1ccncc1Br ZINC000159849441 351013178 /nfs/dbraw/zinc/01/31/78/351013178.db2.gz WBDPBLICGZOCOV-UHFFFAOYSA-N 0 0 239.116 2.668 10 30 BFEERN CC(=O)N1CCCC[C@H](c2cccc(C#N)c2)C1 ZINC000616627508 351095548 /nfs/dbraw/zinc/09/55/48/351095548.db2.gz ITKFRUQQTSISQV-HNNXBMFYSA-N 0 0 242.322 2.674 10 30 BFEERN CC(C)(C)N1CCO[C@@H](c2ccccc2C#N)C1 ZINC000616645962 351169737 /nfs/dbraw/zinc/16/97/37/351169737.db2.gz VRADRPWPXPNGTM-CQSZACIVSA-N 0 0 244.338 2.730 10 30 BFEERN C=C(Cl)Cn1ccc2c1CCCC2=O ZINC000168072305 351286291 /nfs/dbraw/zinc/28/62/91/351286291.db2.gz VREPXWJSRCKWBB-UHFFFAOYSA-N 0 0 209.676 2.760 10 30 BFEERN C=C(C)[C@H](O)c1cnc2ccsc2c1 ZINC000306883088 351287288 /nfs/dbraw/zinc/28/72/88/351287288.db2.gz OKYGXRZIOUNARV-NSHDSACASA-N 0 0 205.282 2.906 10 30 BFEERN Cc1sc(Br)cc1CC#N ZINC000034808865 351288705 /nfs/dbraw/zinc/28/87/05/351288705.db2.gz JRLMBYINXWQNEK-UHFFFAOYSA-N 0 0 216.103 2.885 10 30 BFEERN Cc1cc(F)ccc1C(=O)C1=CCCO1 ZINC000168106698 351295511 /nfs/dbraw/zinc/29/55/11/351295511.db2.gz UEMDLRWWTAOWQI-UHFFFAOYSA-N 0 0 206.216 2.621 10 30 BFEERN C=C(Cl)CNc1cc(N)cc(F)c1 ZINC000168173188 351330927 /nfs/dbraw/zinc/33/09/27/351330927.db2.gz CMTMUMIMDCVHAF-UHFFFAOYSA-N 0 0 200.644 2.572 10 30 BFEERN C=C(Br)CNc1ncccc1C ZINC000168332137 351380797 /nfs/dbraw/zinc/38/07/97/351380797.db2.gz JUIOKMLTBPXALV-UHFFFAOYSA-N 0 0 227.105 2.711 10 30 BFEERN N#Cc1ccc(-c2nc3ccc(N)cc3o2)cc1 ZINC000034940011 351356579 /nfs/dbraw/zinc/35/65/79/351356579.db2.gz MREPKUYMGKFXES-UHFFFAOYSA-N 0 0 235.246 2.949 10 30 BFEERN CCOc1ccc(C2(C#N)CCOCC2)cc1 ZINC000034940497 351356794 /nfs/dbraw/zinc/35/67/94/351356794.db2.gz CUINUDMFUMXYSL-UHFFFAOYSA-N 0 0 231.295 2.657 10 30 BFEERN CC[C@@H](Nc1nc(C)cc(C#N)n1)C(C)C ZINC000231898356 351439052 /nfs/dbraw/zinc/43/90/52/351439052.db2.gz CFWBVKDBSJDBHJ-LLVKDONJSA-N 0 0 218.304 2.503 10 30 BFEERN Cc1cccc([C@H]2CC[C@@H](C=O)O2)c1C ZINC000307162020 351527749 /nfs/dbraw/zinc/52/77/49/351527749.db2.gz HHCJWBCQMHVNMW-WCQYABFASA-N 0 0 204.269 2.722 10 30 BFEERN C[C@H](C#N)CNc1ccsc1Cl ZINC000307203812 351605804 /nfs/dbraw/zinc/60/58/04/351605804.db2.gz DJECQCJBKBSCCI-ZCFIWIBFSA-N 0 0 200.694 2.973 10 30 BFEERN CCc1ccc(CC2CC(C#N)(CO)C2)cc1 ZINC000606302312 351554624 /nfs/dbraw/zinc/55/46/24/351554624.db2.gz KZYPWKPVXGLZEY-UHFFFAOYSA-N 0 0 229.323 2.704 10 30 BFEERN N#CC1CC(OCc2ccccc2F)C1 ZINC000606302576 351557638 /nfs/dbraw/zinc/55/76/38/351557638.db2.gz QMMQGRWVLZYPGI-UHFFFAOYSA-N 0 0 205.232 2.644 10 30 BFEERN C#CC[C@@H](C)Nc1ncccc1Br ZINC000228990758 351731211 /nfs/dbraw/zinc/73/12/11/351731211.db2.gz ZVFNUYKFKBHOGO-MRVPVSSYSA-N 0 0 239.116 2.668 10 30 BFEERN C=C(c1cnc(Cl)cn1)C(F)(F)F ZINC000307241436 351746034 /nfs/dbraw/zinc/74/60/34/351746034.db2.gz HVYZZHKFSYWGTG-UHFFFAOYSA-N 0 0 208.570 2.706 10 30 BFEERN N#Cc1ccnc(C(F)(F)F)c1Cl ZINC000307250663 351758701 /nfs/dbraw/zinc/75/87/01/351758701.db2.gz MEJBFASGCPYXSO-UHFFFAOYSA-N 0 0 206.554 2.625 10 30 BFEERN N#Cc1ccc(C(=O)C(F)(F)Cl)cc1 ZINC000307284807 351849192 /nfs/dbraw/zinc/84/91/92/351849192.db2.gz NPYWINUOGIDWPU-UHFFFAOYSA-N 0 0 215.586 2.573 10 30 BFEERN CCc1ccc(C2=CC(=O)C[C@@](C)(O)C2)cc1 ZINC000040174938 351930389 /nfs/dbraw/zinc/93/03/89/351930389.db2.gz FEWBLPCFTYEBLD-HNNXBMFYSA-N 0 0 230.307 2.746 10 30 BFEERN C=CCc1cc(OC)c(OCC)cc1O ZINC000032205358 187546375 /nfs/dbraw/zinc/54/63/75/187546375.db2.gz ZGDJSXKWCOVQEY-UHFFFAOYSA-N 0 0 208.257 2.528 10 30 BFEERN CCOc1ccc(C2=CC(=O)C[C@@](C)(O)C2)cc1 ZINC000040174998 351988690 /nfs/dbraw/zinc/98/86/90/351988690.db2.gz ZRTQNHOXKUNKSJ-HNNXBMFYSA-N 0 0 246.306 2.583 10 30 BFEERN C/C=C/C(=O)c1cc(OC)c(C)cc1OC ZINC000000056959 187582877 /nfs/dbraw/zinc/58/28/77/187582877.db2.gz PFDBIEPVJRRKLR-AATRIKPKSA-N 0 0 220.268 2.771 10 30 BFEERN COc1nc(C2=CC(=O)C[C@@H](C)C2)cs1 ZINC000307324007 352019073 /nfs/dbraw/zinc/01/90/73/352019073.db2.gz HLBQPPBGARGAIT-ZETCQYMHSA-N 0 0 223.297 2.534 10 30 BFEERN CC(C)N(CC1CC1)c1cc(C#N)ccn1 ZINC000042591955 187603443 /nfs/dbraw/zinc/60/34/43/187603443.db2.gz NIOLBPDSUHJYOT-UHFFFAOYSA-N 0 0 215.300 2.578 10 30 BFEERN C=CC[C@H](OC)c1ccc2c(c1)OCO2 ZINC000021990186 187664927 /nfs/dbraw/zinc/66/49/27/187664927.db2.gz ZKJHSZLXJGHDTA-JTQLQIEISA-N 0 0 206.241 2.679 10 30 BFEERN CC[C@@H](NC(=O)C(C#N)(CC)CC)C(C)C ZINC000044766494 352393636 /nfs/dbraw/zinc/39/36/36/352393636.db2.gz WAFGWVJYWWAOCK-LLVKDONJSA-N 0 0 224.348 2.867 10 30 BFEERN C=C=CC(=O)c1cscc1Br ZINC000404793838 352469872 /nfs/dbraw/zinc/46/98/72/352469872.db2.gz GLHDTDAHCYGEHS-UHFFFAOYSA-N 0 0 229.098 2.717 10 30 BFEERN O=CC1(Cc2cnns2)CCCCCC1 ZINC000307375861 352474892 /nfs/dbraw/zinc/47/48/92/352474892.db2.gz ZURCYBBRWPWQDO-UHFFFAOYSA-N 0 0 224.329 2.620 10 30 BFEERN Cn1ccnc1Sc1ccc(C#N)cc1F ZINC000036886946 180754055 /nfs/dbraw/zinc/75/40/55/180754055.db2.gz WYYAMVXRDDXEIX-UHFFFAOYSA-N 0 0 233.271 2.582 10 30 BFEERN C=C[C@](C)(O)c1ccc2c(c1)C(C)(C)CO2 ZINC000039149908 352586334 /nfs/dbraw/zinc/58/63/34/352586334.db2.gz CPTXTEZMKLFSOH-AWEZNQCLSA-N 0 0 218.296 2.750 10 30 BFEERN Cc1ccnc([C@]2(C#N)CCCS2)c1 ZINC000307466468 352616008 /nfs/dbraw/zinc/61/60/08/352616008.db2.gz JVPKNRUJGLZERI-LLVKDONJSA-N 0 0 204.298 2.636 10 30 BFEERN N#CCc1c(Cl)cc(O)cc1Cl ZINC000215096833 352566404 /nfs/dbraw/zinc/56/64/04/352566404.db2.gz AVHJUKDHNHWTFS-UHFFFAOYSA-N 0 0 202.040 2.765 10 30 BFEERN CC#CCOc1cc(Br)ncc1C ZINC000307532204 352639415 /nfs/dbraw/zinc/63/94/15/352639415.db2.gz YSRRVDMJSHRBET-UHFFFAOYSA-N 0 0 240.100 2.555 10 30 BFEERN C[C@H]1CCC[C@@]1(C=O)Cc1ccccn1 ZINC000307569112 352657784 /nfs/dbraw/zinc/65/77/84/352657784.db2.gz VLOIBPBUXVLSIE-AAEUAGOBSA-N 0 0 203.285 2.629 10 30 BFEERN CC[C@@]1(c2ccco2)CCC[C@H](C=O)O1 ZINC000307622192 352692519 /nfs/dbraw/zinc/69/25/19/352692519.db2.gz KWVYNOKVRTVLRP-PWSUYJOCSA-N 0 0 208.257 2.653 10 30 BFEERN C=CC[C@H](CC)Nc1nc(C)nc(C)c1F ZINC000336746634 352740590 /nfs/dbraw/zinc/74/05/90/352740590.db2.gz WQWMTPVVZMUYMI-JTQLQIEISA-N 0 0 223.295 2.999 10 30 BFEERN C=CC[C@@H](CC)Nc1nc(C)nc(C)c1F ZINC000336746636 352740880 /nfs/dbraw/zinc/74/08/80/352740880.db2.gz WQWMTPVVZMUYMI-SNVBAGLBSA-N 0 0 223.295 2.999 10 30 BFEERN CC1(C)C[C@H]1NC(=O)Nc1ccc2c(c1)COC2 ZINC000329069065 538105252 /nfs/dbraw/zinc/10/52/52/538105252.db2.gz MREVUMIIQKIWBX-GFCCVEGCSA-N 0 0 246.310 2.841 10 30 BFEERN Fc1cccc(C#Cc2ccc(F)nc2)c1 ZINC000383436763 352980334 /nfs/dbraw/zinc/98/03/34/352980334.db2.gz XLEYYAPUVHYABQ-UHFFFAOYSA-N 0 0 215.202 2.760 10 30 BFEERN NC(=O)c1ccccc1/N=C\c1ccc(F)cc1 ZINC000000524198 187925380 /nfs/dbraw/zinc/92/53/80/187925380.db2.gz KAYRUENEQXLRBB-MFOYZWKCSA-N 0 0 242.253 2.675 10 30 BFEERN N#C[C@@H](NC1CCCC1)c1ccsc1 ZINC000037968382 187941807 /nfs/dbraw/zinc/94/18/07/187941807.db2.gz ZUTROMYLGWGJKU-LLVKDONJSA-N 0 0 206.314 2.845 10 30 BFEERN N#CC1(Cc2ncccc2Br)CC1 ZINC000306315484 353003708 /nfs/dbraw/zinc/00/37/08/353003708.db2.gz PRZMJQDNPOYKIQ-UHFFFAOYSA-N 0 0 237.100 2.690 10 30 BFEERN N#Cc1cccc(CNc2cccc(O)c2)c1 ZINC000020193303 187935902 /nfs/dbraw/zinc/93/59/02/187935902.db2.gz AKMPLDCHYGQRDY-UHFFFAOYSA-N 0 0 224.263 2.876 10 30 BFEERN Cc1ccc(SCCCC#N)c(N)c1 ZINC000037193269 187940077 /nfs/dbraw/zinc/94/00/77/187940077.db2.gz NTMMPCBDYFODRQ-UHFFFAOYSA-N 0 0 206.314 2.973 10 30 BFEERN Cc1cc(F)c(F)cc1OC(C)(C)C=O ZINC000307167789 353058697 /nfs/dbraw/zinc/05/86/97/353058697.db2.gz SMPWPFIZXVGUCV-UHFFFAOYSA-N 0 0 214.211 2.630 10 30 BFEERN N#CCc1ccnc2cc(Cl)ccc12 ZINC000063046423 187958348 /nfs/dbraw/zinc/95/83/48/187958348.db2.gz DFQXOZFIUZCPRW-UHFFFAOYSA-N 0 0 202.644 2.954 10 30 BFEERN C[C@@]1(c2cccs2)CCC[C@@H](C=O)O1 ZINC000307728898 353115027 /nfs/dbraw/zinc/11/50/27/353115027.db2.gz FOXDRUDWMGFHSO-ONGXEEELSA-N 0 0 210.298 2.731 10 30 BFEERN C[C@@]1(c2cccs2)CCC[C@H](C=O)O1 ZINC000307728895 353115317 /nfs/dbraw/zinc/11/53/17/353115317.db2.gz FOXDRUDWMGFHSO-KOLCDFICSA-N 0 0 210.298 2.731 10 30 BFEERN C[C@@H]1CC[C@@]1(C#N)NCc1cccs1 ZINC000307567555 353084957 /nfs/dbraw/zinc/08/49/57/353084957.db2.gz QWUIAUHQIMQARF-KOLCDFICSA-N 0 0 206.314 2.530 10 30 BFEERN CC(C)[C@@H]1S/C(=N\c2ccccc2)NC1=O ZINC000028826721 188010371 /nfs/dbraw/zinc/01/03/71/188010371.db2.gz XLFDGKZAEMQJBH-JTQLQIEISA-N 0 0 234.324 2.562 10 30 in-vivo BFEERN C=C[C@@H]1[NH2+]CCc2c(F)c(Cl)ccc21 ZINC000075708484 188048794 /nfs/dbraw/zinc/04/87/94/188048794.db2.gz QFTAGJKMLKMOTC-JTQLQIEISA-N 0 0 211.667 2.852 10 30 BFEERN CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](C#N)C1 ZINC000098089988 188050946 /nfs/dbraw/zinc/05/09/46/188050946.db2.gz KODINHTWTSHDJW-ZJUUUORDSA-N 0 0 224.304 2.593 10 30 BFEERN CC#CC(=O)Nc1c(C)cc(Cl)nc1Cl ZINC000232636968 353150106 /nfs/dbraw/zinc/15/01/06/353150106.db2.gz RYWHNOURPPJAQR-UHFFFAOYSA-N 0 0 243.093 2.659 10 30 BFEERN C#CCC(=O)c1ccccc1Br ZINC000051074359 353173423 /nfs/dbraw/zinc/17/34/23/353173423.db2.gz JQTHIMDKLDNNIG-UHFFFAOYSA-N 0 0 223.069 2.655 10 30 BFEERN CC1(C)CC[C@@]2(O[C@H]2C#N)c2ccccc21 ZINC000309419635 538112170 /nfs/dbraw/zinc/11/21/70/538112170.db2.gz BNOLMVKILUWWHP-GXTWGEPZSA-N 0 0 213.280 2.876 10 30 BFEERN CC#CC[C@@H](O)c1cc(Br)cs1 ZINC000070598923 353259636 /nfs/dbraw/zinc/25/96/36/353259636.db2.gz LZQBKWONJNRMPF-MRVPVSSYSA-N 0 0 245.141 2.957 10 30 BFEERN C#CCC[C@@H](O)c1cc(Br)cs1 ZINC000070598853 353259732 /nfs/dbraw/zinc/25/97/32/353259732.db2.gz CNKNFGLKHOJAHM-MRVPVSSYSA-N 0 0 245.141 2.957 10 30 BFEERN C=C(C)CN(CC)C(=O)c1ccc(C)c(N)c1 ZINC000019507222 188232413 /nfs/dbraw/zinc/23/24/13/188232413.db2.gz DTIHKJRNDNSZDI-UHFFFAOYSA-N 0 0 232.327 2.615 10 30 BFEERN C=C[C@@](C)(CC[C@H]1O[C@@]1(C)CC)OC(C)=O ZINC000031362353 188233908 /nfs/dbraw/zinc/23/39/08/188233908.db2.gz ZQIIAKHOIHRGSM-AGIUHOORSA-N 0 0 226.316 2.842 10 30 BFEERN C#C[C@H](O)C(c1ccccc1)c1ccccc1 ZINC000034510878 188234036 /nfs/dbraw/zinc/23/40/36/188234036.db2.gz QYGJQFYEYVJOJN-HNNXBMFYSA-N 0 0 222.287 2.813 10 30 BFEERN CC(N=Nc1ccccn1)c1ccc(C#N)cc1 ZINC000005694580 188277836 /nfs/dbraw/zinc/27/78/36/188277836.db2.gz LOODFXXGLJVXQT-GZTJUZNOSA-N 0 0 236.278 2.789 10 30 BFEERN CC(C)(C)c1ccc(N2C[C@H](C#N)CC2=O)cc1 ZINC000011894216 188279377 /nfs/dbraw/zinc/27/93/77/188279377.db2.gz LOWOOJNBXHHFDW-NSHDSACASA-N 0 0 242.322 2.861 10 30 BFEERN C/C(=N\O)c1cccc(OCCCC#N)c1 ZINC000019503412 188281243 /nfs/dbraw/zinc/28/12/43/188281243.db2.gz PLZPFRKMYSBBPH-GXDHUFHOSA-N 0 0 218.256 2.567 10 30 BFEERN COc1ccc(CC#N)c(Br)c1 ZINC000034482768 188285023 /nfs/dbraw/zinc/28/50/23/188285023.db2.gz HGIMMKGDPPDRTN-UHFFFAOYSA-N 0 0 226.073 2.524 10 30 BFEERN N#Cc1cc(NCc2cc[nH]n2)ccc1Cl ZINC000036973448 188286586 /nfs/dbraw/zinc/28/65/86/188286586.db2.gz PTLGVHJTDQUJCJ-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN N#C[C@]1(NCC2CC2)CCCc2ccccc21 ZINC000037946941 188289661 /nfs/dbraw/zinc/28/96/61/188289661.db2.gz MRXOSSHZAGFRNS-OAHLLOKOSA-N 0 0 226.323 2.741 10 30 BFEERN N#Cc1ccncc1-c1cc([N+](=O)[O-])ccc1F ZINC000039140325 188291031 /nfs/dbraw/zinc/29/10/31/188291031.db2.gz ROBKIRWTPOVTKD-UHFFFAOYSA-N 0 0 243.197 2.668 10 30 BFEERN N#CCCSc1cc2ccccc2oc1=O ZINC000082297864 188293317 /nfs/dbraw/zinc/29/33/17/188293317.db2.gz XIPNCGHQZMZKDS-UHFFFAOYSA-N 0 0 231.276 2.799 10 30 BFEERN Cc1cc(C)c(C#N)c(N(CCC#N)C(C)C)n1 ZINC000042530034 188293732 /nfs/dbraw/zinc/29/37/32/188293732.db2.gz HALZNOQOLZZBIF-UHFFFAOYSA-N 0 0 242.326 2.699 10 30 BFEERN N#CCCCCn1ccnc1-c1cccc(N)c1 ZINC000049578605 188299177 /nfs/dbraw/zinc/29/91/77/188299177.db2.gz GZVCOHALAMMGED-UHFFFAOYSA-N 0 0 240.310 2.826 10 30 BFEERN CC(C)C[C@@H](C#N)NCCc1ccccc1 ZINC000057497968 188301603 /nfs/dbraw/zinc/30/16/03/188301603.db2.gz WCBNAVLZYWBYFL-AWEZNQCLSA-N 0 0 216.328 2.757 10 30 BFEERN N#CCCCCn1cc(-c2cccc(N)c2)cn1 ZINC000104053736 188323946 /nfs/dbraw/zinc/32/39/46/188323946.db2.gz OBSDMXAISZWECO-UHFFFAOYSA-N 0 0 240.310 2.826 10 30 BFEERN N#Cc1ccc(Nc2ncc(N)cc2Cl)cc1 ZINC000082552086 188314036 /nfs/dbraw/zinc/31/40/36/188314036.db2.gz XJZMUGUFLQWFMR-UHFFFAOYSA-N 0 0 244.685 2.932 10 30 BFEERN N#Cc1ccc(SC(F)(F)F)cn1 ZINC000091252730 188318851 /nfs/dbraw/zinc/31/88/51/188318851.db2.gz SDNIQHJPBDSEHF-UHFFFAOYSA-N 0 0 204.176 2.565 10 30 BFEERN C#CCNC(=O)[C@H]1C[C@H]1c1ccc(C(C)C)cc1 ZINC000076941676 353347349 /nfs/dbraw/zinc/34/73/49/353347349.db2.gz QBTXSUKPADXCQK-GJZGRUSLSA-N 0 0 241.334 2.663 10 30 BFEERN C=CC=C1C(=O)c2ccccc2C(=O)C1C ZINC000062721320 188362127 /nfs/dbraw/zinc/36/21/27/188362127.db2.gz MEKZPTIIUUAUNF-UHFFFAOYSA-N 0 0 212.248 2.958 10 30 BFEERN C[C@H](NCC#N)c1ccc(F)c(Cl)c1 ZINC000180720734 353406753 /nfs/dbraw/zinc/40/67/53/353406753.db2.gz GXAQNQUBAQDTFD-ZETCQYMHSA-N 0 0 212.655 2.653 10 30 BFEERN C=C(C)n1c2cc(C)c(C)cc2n(CC)c1=O ZINC000040311216 188396742 /nfs/dbraw/zinc/39/67/42/188396742.db2.gz LZYCASZUEAKSAG-UHFFFAOYSA-N 0 0 230.311 2.930 10 30 BFEERN C=CC[S@](=O)c1nc2ccccc2s1 ZINC000045236213 188398231 /nfs/dbraw/zinc/39/82/31/188398231.db2.gz AQLIRLLECJXLJR-CQSZACIVSA-N 0 0 223.322 2.590 10 30 BFEERN CCc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000061889073 353543084 /nfs/dbraw/zinc/54/30/84/353543084.db2.gz SPOQSMKMNAFKKA-UONOGXRCSA-N 0 0 242.322 2.671 10 30 BFEERN CCc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1 ZINC000061889074 353543180 /nfs/dbraw/zinc/54/31/80/353543180.db2.gz SPOQSMKMNAFKKA-KBPBESRZSA-N 0 0 242.322 2.671 10 30 BFEERN Cc1ccc(C)c(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061889063 353543403 /nfs/dbraw/zinc/54/34/03/353543403.db2.gz ZZGAWESCGLLUFH-TZMCWYRMSA-N 0 0 242.322 2.726 10 30 BFEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)cc1F ZINC000061889149 353543543 /nfs/dbraw/zinc/54/35/43/353543543.db2.gz IIMXRPPJGHOZBM-WCQYABFASA-N 0 0 246.285 2.556 10 30 BFEERN N#CC1([C@@H](O)c2ncc(Cl)s2)CCC1 ZINC000223307846 353753402 /nfs/dbraw/zinc/75/34/02/353753402.db2.gz VQGIRAURMWCVLF-ZETCQYMHSA-N 0 0 228.704 2.524 10 30 BFEERN C[C@@H](c1cccs1)N(C)C1=CC(=O)CC1 ZINC000160219163 353737675 /nfs/dbraw/zinc/73/76/75/353737675.db2.gz XBQXEKNZBWKVCH-VIFPVBQESA-N 0 0 221.325 2.988 10 30 BFEERN C[C@H]1CCC[C@@H](N(C)C2=CC(=O)CC2)C1 ZINC000160216880 353741315 /nfs/dbraw/zinc/74/13/15/353741315.db2.gz UVQSXVHPRIVKFK-WDEREUQCSA-N 0 0 207.317 2.744 10 30 BFEERN N#CC1(NC2CCCCC2)CCSCC1 ZINC000041048803 181030386 /nfs/dbraw/zinc/03/03/86/181030386.db2.gz OHSPOJNRXMKNRI-UHFFFAOYSA-N 0 0 224.373 2.698 10 30 BFEERN N#CC12CCC(CC1)N2Cc1ccccc1 ZINC000057218780 181031661 /nfs/dbraw/zinc/03/16/61/181031661.db2.gz LYWOJXJUFXNXDD-UHFFFAOYSA-N 0 0 212.296 2.707 10 30 BFEERN N#CCCN(C1CC1)[C@@H]1CCCCC[C@H]1C#N ZINC000042531126 181036983 /nfs/dbraw/zinc/03/69/83/181036983.db2.gz ZKDPEYUTSNSQCN-GXTWGEPZSA-N 0 0 231.343 2.837 10 30 BFEERN N#CCNc1ccc(Cl)c(Cl)c1 ZINC000020048458 181043070 /nfs/dbraw/zinc/04/30/70/181043070.db2.gz WZUMFRRCNMMJDG-UHFFFAOYSA-N 0 0 201.056 2.929 10 30 BFEERN N#CCNc1ccc(C(F)(F)F)cc1 ZINC000020046280 181043154 /nfs/dbraw/zinc/04/31/54/181043154.db2.gz DGHUIZKWEQEOTN-UHFFFAOYSA-N 0 0 200.163 2.641 10 30 BFEERN N#CCNc1ccccc1C(F)(F)F ZINC000020042217 181043268 /nfs/dbraw/zinc/04/32/68/181043268.db2.gz YMXBSJAQBQKIGS-UHFFFAOYSA-N 0 0 200.163 2.641 10 30 BFEERN N#CC[C@H]1CNc2ccc(Br)cc21 ZINC000071487029 181045692 /nfs/dbraw/zinc/04/56/92/181045692.db2.gz LPCWCEFDVKTTKO-ZETCQYMHSA-N 0 0 237.100 2.872 10 30 BFEERN N#C[C@@H](C=O)c1ccccc1C(F)(F)F ZINC000095911152 181054006 /nfs/dbraw/zinc/05/40/06/181054006.db2.gz IPFKQJJUHJOWAE-ZETCQYMHSA-N 0 0 213.158 2.511 10 30 BFEERN N#C[C@@H](Nc1ccccc1F)c1cccnc1 ZINC000037938972 181057457 /nfs/dbraw/zinc/05/74/57/181057457.db2.gz ZRRJYVSEMWWETL-CYBMUJFWSA-N 0 0 227.242 2.897 10 30 BFEERN N#CCc1ccc(NCCc2ccncc2)cc1 ZINC000051601547 181048649 /nfs/dbraw/zinc/04/86/49/181048649.db2.gz IOLMUKJKGOKBLR-UHFFFAOYSA-N 0 0 237.306 2.802 10 30 BFEERN N#CCc1cccc(C(=O)c2ccccc2)c1N ZINC000026380747 181049048 /nfs/dbraw/zinc/04/90/48/181049048.db2.gz SBJVNVYXIJICEG-UHFFFAOYSA-N 0 0 236.274 2.566 10 30 BFEERN N#C[C@H](Cc1cccc(O)c1)c1cccc(O)c1 ZINC000027428767 181063268 /nfs/dbraw/zinc/06/32/68/181063268.db2.gz QEWOMWBVYXEBCD-ZDUSSCGKSA-N 0 0 239.274 2.948 10 30 BFEERN N#C[C@H](Cc1ccccc1)N1CCCCC1 ZINC000034541987 181063554 /nfs/dbraw/zinc/06/35/54/181063554.db2.gz IUJJDQLTJSFFCD-AWEZNQCLSA-N 0 0 214.312 2.607 10 30 BFEERN N#C[C@H](Nc1cccc(Cl)c1)[C@H]1CCOC1 ZINC000037937235 181066120 /nfs/dbraw/zinc/06/61/20/181066120.db2.gz QEHNHNWTVIEXTE-CABZTGNLSA-N 0 0 236.702 2.681 10 30 BFEERN N#C[C@H](NC1CCCC1)c1ccc2c(c1)CCO2 ZINC000037968571 181066263 /nfs/dbraw/zinc/06/62/63/181066263.db2.gz AZHCHAOKSCFXBW-AWEZNQCLSA-N 0 0 242.322 2.718 10 30 BFEERN N#C[C@@H]1CC(=O)N(c2cccc3ccccc32)C1 ZINC000033434411 181058318 /nfs/dbraw/zinc/05/83/18/181058318.db2.gz UMBRLBYLDFIRAU-NSHDSACASA-N 0 0 236.274 2.716 10 30 BFEERN N#Cc1c(F)c(F)c(F)c(Cl)c1F ZINC000035940205 181075245 /nfs/dbraw/zinc/07/52/45/181075245.db2.gz SMPPDKRKAOZGQO-UHFFFAOYSA-N 0 0 209.529 2.768 10 30 BFEERN N#Cc1c(Br)cnn1-c1ccccc1 ZINC000075847261 181073126 /nfs/dbraw/zinc/07/31/26/181073126.db2.gz CKZGQRGQXDOYCU-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN N#C[C@H]1CCCCC[C@H]1NCc1ccco1 ZINC000054824445 181067637 /nfs/dbraw/zinc/06/76/37/181067637.db2.gz XVGVVEYWPURLTQ-DGCLKSJQSA-N 0 0 218.300 2.842 10 30 BFEERN N#C[C@H]1CCCCC[C@@H]1NCc1ccco1 ZINC000054824446 181067726 /nfs/dbraw/zinc/06/77/26/181067726.db2.gz XVGVVEYWPURLTQ-YPMHNXCESA-N 0 0 218.300 2.842 10 30 BFEERN N#C[C@H]1CCCCC[C@@H]1N1CCSCC1 ZINC000037146690 181068157 /nfs/dbraw/zinc/06/81/57/181068157.db2.gz QZYUUSXAFLVFLD-NEPJUHHUSA-N 0 0 224.373 2.508 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1cccs1 ZINC000054824866 181069032 /nfs/dbraw/zinc/06/90/32/181069032.db2.gz OQSYQWYDEPOKMF-KOLCDFICSA-N 0 0 206.314 2.530 10 30 BFEERN N#C[C@H]1CCC[C@H]1N1CCc2ccccc21 ZINC000037146235 181069338 /nfs/dbraw/zinc/06/93/38/181069338.db2.gz FKZAGKDBBUXBDU-TZMCWYRMSA-N 0 0 212.296 2.741 10 30 BFEERN N#Cc1c(N)cccc1Sc1cccc(N)c1 ZINC000000020468 181077333 /nfs/dbraw/zinc/07/73/33/181077333.db2.gz KFIZNSVYQUOVEE-UHFFFAOYSA-N 0 0 241.319 2.874 10 30 BFEERN N#Cc1c(F)cccc1Nc1ccc(Cl)nn1 ZINC000036158554 181077678 /nfs/dbraw/zinc/07/76/78/181077678.db2.gz ABEIKMBBDABGEV-UHFFFAOYSA-N 0 0 248.648 2.884 10 30 BFEERN N#Cc1c2nc3ccccc3nc2n2ccccc12 ZINC000000041617 181078981 /nfs/dbraw/zinc/07/89/81/181078981.db2.gz JKTDGGGCBWROBV-UHFFFAOYSA-N 0 0 244.257 2.907 10 30 BFEERN N#Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000031886324 181080413 /nfs/dbraw/zinc/08/04/13/181080413.db2.gz NPIFLSWYGXJKFU-UHFFFAOYSA-N 0 0 203.632 2.602 10 30 BFEERN N#Cc1cc(-c2ccc(=O)[nH]c2)ccc1Cl ZINC000065339339 181080684 /nfs/dbraw/zinc/08/06/84/181080684.db2.gz QSQGIBZDXLTACH-UHFFFAOYSA-N 0 0 230.654 2.567 10 30 BFEERN N#Cc1cc(-c2ccc[nH]c2=O)ccc1Cl ZINC000065339336 181081140 /nfs/dbraw/zinc/08/11/40/181081140.db2.gz ZQIFYVJQEOYNME-UHFFFAOYSA-N 0 0 230.654 2.567 10 30 BFEERN N#Cc1cc(CNCc2ccco2)ccc1F ZINC000083357210 181085879 /nfs/dbraw/zinc/08/58/79/181085879.db2.gz OSHSIOYKHXPHAA-UHFFFAOYSA-N 0 0 230.242 2.580 10 30 BFEERN N#Cc1cc(Cl)c2cccc(F)c2n1 ZINC000077255372 181085891 /nfs/dbraw/zinc/08/58/91/181085891.db2.gz IICJNLHVYLZBCS-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN N#Cc1cc(CNc2cccnc2)ccc1F ZINC000083355229 181086468 /nfs/dbraw/zinc/08/64/68/181086468.db2.gz JCARAUPGOIOOAF-UHFFFAOYSA-N 0 0 227.242 2.704 10 30 BFEERN N#Cc1cc(Cl)ccc1NC[C@@H]1[C@H]2COC[C@H]21 ZINC000376170539 181087148 /nfs/dbraw/zinc/08/71/48/181087148.db2.gz CWXJJCVAGKAQDG-CNDDSTCGSA-N 0 0 248.713 2.516 10 30 BFEERN N#Cc1ccc(-c2ccsc2)cc1O ZINC000065341273 181095605 /nfs/dbraw/zinc/09/56/05/181095605.db2.gz IFQFPNUAJPLNAZ-UHFFFAOYSA-N 0 0 201.250 2.992 10 30 BFEERN N#Cc1cc(N)cnc1Sc1ccccc1F ZINC000037759405 181089756 /nfs/dbraw/zinc/08/97/56/181089756.db2.gz YDHONLHZXSLRQT-UHFFFAOYSA-N 0 0 245.282 2.826 10 30 BFEERN N#Cc1cc(N)cnc1Nc1cccc(Cl)c1 ZINC000037758986 181090448 /nfs/dbraw/zinc/09/04/48/181090448.db2.gz GPLQRPXJRIBHHV-UHFFFAOYSA-N 0 0 244.685 2.932 10 30 BFEERN N#Cc1cc(N)cnc1Nc1ccccc1Cl ZINC000037758995 181090568 /nfs/dbraw/zinc/09/05/68/181090568.db2.gz ICPKWPBRKPSQLV-UHFFFAOYSA-N 0 0 244.685 2.932 10 30 BFEERN N#Cc1cc(OC2CC2)cc(C(F)(F)F)n1 ZINC000095735052 181091650 /nfs/dbraw/zinc/09/16/50/181091650.db2.gz URJZFZGZWPAWCO-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN N#Cc1ccc(CN[C@H]2CCCC[C@H]2C#N)cc1 ZINC000054825636 181110227 /nfs/dbraw/zinc/11/02/27/181110227.db2.gz LLCHSJSTEGGLAP-GJZGRUSLSA-N 0 0 239.322 2.730 10 30 BFEERN N#Cc1ccc(NCC2CCCC2)c(N)c1 ZINC000035674721 181119918 /nfs/dbraw/zinc/11/99/18/181119918.db2.gz BLQWLLZAAGZMLS-UHFFFAOYSA-N 0 0 215.300 2.743 10 30 BFEERN N#Cc1ccc(NCCOC2CCCC2)c(N)c1 ZINC000104448769 181120912 /nfs/dbraw/zinc/12/09/12/181120912.db2.gz CFNMWLNNSBCYBW-UHFFFAOYSA-N 0 0 245.326 2.512 10 30 BFEERN N#Cc1ccc(Cl)cc1NCc1ncc[nH]1 ZINC000049714963 181111881 /nfs/dbraw/zinc/11/18/81/181111881.db2.gz VURMZGXZXTWJHB-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN N#Cc1ccc(N2C[C@H]3CC[C@@H]2C3)c(F)c1 ZINC000049716819 181117699 /nfs/dbraw/zinc/11/76/99/181117699.db2.gz BZBPSDSWMLAAJA-WDEREUQCSA-N 0 0 216.259 2.686 10 30 BFEERN N#Cc1ccc(N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000054824095 181124349 /nfs/dbraw/zinc/12/43/49/181124349.db2.gz IRQFSFMSSVAJKQ-DGCLKSJQSA-N 0 0 211.268 2.662 10 30 BFEERN N#Cc1ccc(OCCCCCO)cc1Cl ZINC000166913723 181127261 /nfs/dbraw/zinc/12/72/61/181127261.db2.gz SSGQSCGPMWUFHP-UHFFFAOYSA-N 0 0 239.702 2.753 10 30 BFEERN N#Cc1ccc(OCc2ccncc2)c(F)c1 ZINC000062613579 181128369 /nfs/dbraw/zinc/12/83/69/181128369.db2.gz BZOMYHNIFWWCQT-UHFFFAOYSA-N 0 0 228.226 2.671 10 30 BFEERN CC1=C[C@@H](C)C[N@H+](CC2(C#N)CCC2)C1 ZINC000334655457 354449461 /nfs/dbraw/zinc/44/94/61/354449461.db2.gz ZQAWEQRNPKEHKE-LLVKDONJSA-N 0 0 204.317 2.578 10 30 BFEERN N#Cc1cccc(-c2cccc(Cl)n2)n1 ZINC000072204176 181133783 /nfs/dbraw/zinc/13/37/83/181133783.db2.gz UHHFBHRNOPBURK-UHFFFAOYSA-N 0 0 215.643 2.669 10 30 BFEERN N#Cc1ccc([C@@H]2c3ccccc3C[C@H]2O)cc1 ZINC000098178839 181129635 /nfs/dbraw/zinc/12/96/35/181129635.db2.gz NKKIXDDJZBFHJA-HZPDHXFCSA-N 0 0 235.286 2.607 10 30 BFEERN N#Cc1ccc([C@H](C#N)NCc2ccccc2)cc1 ZINC000037939414 181130515 /nfs/dbraw/zinc/13/05/15/181130515.db2.gz AEZLEEXVKDRAON-INIZCTEOSA-N 0 0 247.301 2.913 10 30 BFEERN N#Cc1ccc2c(c1)C[C@@H](c1cccnc1)O2 ZINC000022003066 181132226 /nfs/dbraw/zinc/13/22/26/181132226.db2.gz JYCXYHOBYUAJHH-AWEZNQCLSA-N 0 0 222.247 2.629 10 30 BFEERN N#Cc1ccccc1CN1CCc2cc(N)ccc21 ZINC000019875035 181145887 /nfs/dbraw/zinc/14/58/87/181145887.db2.gz RLWDCSUNVUTYSR-UHFFFAOYSA-N 0 0 249.317 2.703 10 30 BFEERN N#Cc1cccc(NC[C@@H]2CCCCO2)c1 ZINC000035150826 181141700 /nfs/dbraw/zinc/14/17/00/181141700.db2.gz HRVBOSYVOKZSKP-ZDUSSCGKSA-N 0 0 216.284 2.539 10 30 BFEERN N#Cc1ccccc1NC[C@H]1CCC=CO1 ZINC000050267355 181147822 /nfs/dbraw/zinc/14/78/22/181147822.db2.gz DXELIJPIHADFKY-GFCCVEGCSA-N 0 0 214.268 2.663 10 30 BFEERN N#Cc1ccccc1NC1CCSCC1 ZINC000035651943 181147910 /nfs/dbraw/zinc/14/79/10/181147910.db2.gz LVTLURMNOFNAKV-UHFFFAOYSA-N 0 0 218.325 2.866 10 30 BFEERN N#Cc1ccccc1Oc1ccccc1N ZINC000019845760 181149929 /nfs/dbraw/zinc/14/99/29/181149929.db2.gz FWGNRYJWXBQIKB-UHFFFAOYSA-N 0 0 210.236 2.933 10 30 BFEERN N#Cc1cccnc1N1C[C@@H]2CCCCC[C@@H]21 ZINC000365878251 181152182 /nfs/dbraw/zinc/15/21/82/181152182.db2.gz BPTSSBGDSJPQKM-STQMWFEESA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1ccnc(N2CCC3(C2)CCCCC3)n1 ZINC000297118677 181155811 /nfs/dbraw/zinc/15/58/11/181155811.db2.gz MERDUHKIDFNXAI-UHFFFAOYSA-N 0 0 242.326 2.509 10 30 BFEERN N#CC#Cc1cc2c(s1)CCCCC2 ZINC000161213781 363437320 /nfs/dbraw/zinc/43/73/20/363437320.db2.gz XWRUAJNPBKHPLW-UHFFFAOYSA-N 0 0 201.294 2.892 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1NCc1cccc(O)c1 ZINC000383683689 354890693 /nfs/dbraw/zinc/89/06/93/354890693.db2.gz CVUDHBIJDMTPTP-GXTWGEPZSA-N 0 0 230.311 2.564 10 30 BFEERN N#Cc1ccnc(Oc2cccc(F)c2)c1 ZINC000019436484 181157848 /nfs/dbraw/zinc/15/78/48/181157848.db2.gz DCFDJCXJAOMWLP-UHFFFAOYSA-N 0 0 214.199 2.885 10 30 BFEERN N#Cc1ccnc(Oc2ccccc2C#N)c1 ZINC000019471789 181158160 /nfs/dbraw/zinc/15/81/60/181158160.db2.gz REJRLBBTZPMALO-UHFFFAOYSA-N 0 0 221.219 2.617 10 30 BFEERN N#Cc1ccnc(Oc2cccc([N+](=O)[O-])c2)c1 ZINC000037981575 181158294 /nfs/dbraw/zinc/15/82/94/181158294.db2.gz KXYSCJKBVNYPPH-UHFFFAOYSA-N 0 0 241.206 2.654 10 30 BFEERN N#Cc1ccnc(Nc2ccc(Cl)cc2)n1 ZINC000082297374 181158315 /nfs/dbraw/zinc/15/83/15/181158315.db2.gz JJKJNQBGJNLBGW-UHFFFAOYSA-N 0 0 230.658 2.745 10 30 BFEERN C#Cc1cc(Br)c(Br)o1 ZINC000130599626 363434898 /nfs/dbraw/zinc/43/48/98/363434898.db2.gz AGOQMKIDTOSLFL-UHFFFAOYSA-N 0 0 249.889 2.786 10 30 BFEERN CCN(CCC#N)c1ccc([N+](=O)[O-])cc1C ZINC000042454658 169816135 /nfs/dbraw/zinc/81/61/35/169816135.db2.gz WDGDKRWHEPVHNM-UHFFFAOYSA-N 0 0 233.271 2.643 10 30 BFEERN N#Cc1c[nH]nc1-c1ccc(Br)cc1 ZINC000031886317 181161117 /nfs/dbraw/zinc/16/11/17/181161117.db2.gz JGZRLSHTUFZBGK-UHFFFAOYSA-N 0 0 248.083 2.711 10 30 BFEERN C=C(C)C(C)(C)C(=O)N1CCS[C@@H](C)C1 ZINC000335229162 355071538 /nfs/dbraw/zinc/07/15/38/355071538.db2.gz XXFBKIAHKSBYLO-JTQLQIEISA-N 0 0 227.373 2.553 10 30 BFEERN N#Cc1nccc2cc(F)c(F)c(F)c21 ZINC000082766670 181170160 /nfs/dbraw/zinc/17/01/60/181170160.db2.gz VLIIZFVGOYKLFI-UHFFFAOYSA-N 0 0 208.142 2.524 10 30 BFEERN N#Cc1ncc(C(F)(F)F)cc1OC1CC1 ZINC000095736461 181170624 /nfs/dbraw/zinc/17/06/24/181170624.db2.gz UUTSILJYNVGSRE-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN N#Cc1nc(-c2ccc(F)cc2)cs1 ZINC000075847113 181167652 /nfs/dbraw/zinc/16/76/52/181167652.db2.gz XOURMRWYOMUTDD-UHFFFAOYSA-N 0 0 204.229 2.821 10 30 BFEERN N#Cc1nccnc1Nc1ccc(Cl)cc1F ZINC000054379334 181175345 /nfs/dbraw/zinc/17/53/45/181175345.db2.gz YUMVEHBSJYAXJN-UHFFFAOYSA-N 0 0 248.648 2.884 10 30 BFEERN N#Cc1oc2ccc(Br)cc2c1N ZINC000066054783 181177109 /nfs/dbraw/zinc/17/71/09/181177109.db2.gz SPXNLNOWESZBOL-UHFFFAOYSA-N 0 0 237.056 2.649 10 30 BFEERN Cc1cc(N[C@H]2C[C@@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413120844 191358420 /nfs/dbraw/zinc/35/84/20/191358420.db2.gz SNGFDPWPMXIQPK-XVKPBYJWSA-N 0 0 231.255 2.595 10 30 BFEERN CCCCC[C@H](C#N)NCC(F)(F)F ZINC000037970822 168742178 /nfs/dbraw/zinc/74/21/78/168742178.db2.gz WWISEPAJYQEKPI-MRVPVSSYSA-N 0 0 208.227 2.611 10 30 BFEERN N/C(CCOc1cccc(Cl)c1Cl)=N\O ZINC000019434106 181182659 /nfs/dbraw/zinc/18/26/59/181182659.db2.gz AIJRPIBQZBCITD-UHFFFAOYSA-N 0 0 249.097 2.509 10 30 BFEERN Cc1nc(N2C[C@H]3CCC[C@@H]32)c(Cl)cc1C#N ZINC000336032603 134058823 /nfs/dbraw/zinc/05/88/23/134058823.db2.gz AYBRUQQIVPXYHG-SKDRFNHKSA-N 0 0 247.729 2.904 10 30 BFEERN N#CC1(C(=O)N[C@@H]2CCC23CCCC3)CCCC1 ZINC000336122963 134092072 /nfs/dbraw/zinc/09/20/72/134092072.db2.gz WJRGBFOCHGNGNN-GFCCVEGCSA-N 0 0 246.354 2.909 10 30 BFEERN Cc1cc(F)c(CC#N)cc1Br ZINC000216524399 356388667 /nfs/dbraw/zinc/38/86/67/356388667.db2.gz BSOWYTQMUAYBGU-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN C=C[C@H](C)OCC(=O)c1ccccc1F ZINC000205184301 356455698 /nfs/dbraw/zinc/45/56/98/356455698.db2.gz MUVYPGHGENGYEB-VIFPVBQESA-N 0 0 208.232 2.600 10 30 BFEERN C[C@@H](O)[C@@H](C)SCC#CC(C)(C)C ZINC000300718869 356492040 /nfs/dbraw/zinc/49/20/40/356492040.db2.gz APFCAUGDIJPCRQ-NXEZZACHSA-N 0 0 200.347 2.538 10 30 BFEERN C=C(Br)CNc1ccc(N)cc1F ZINC000168191934 356549734 /nfs/dbraw/zinc/54/97/34/356549734.db2.gz KKVFVBKFDBGUQO-UHFFFAOYSA-N 0 0 245.095 2.728 10 30 BFEERN COc1ncccc1-c1ccc(CC#N)cc1 ZINC000675073349 538504807 /nfs/dbraw/zinc/50/48/07/538504807.db2.gz NLISXVBBWCWFQW-UHFFFAOYSA-N 0 0 224.263 2.823 10 30 BFEERN COc1ccc(C#CC(=O)OC(C)(C)C)c(C)c1 ZINC000675078851 538515758 /nfs/dbraw/zinc/51/57/58/538515758.db2.gz MBRAGXPNUFNTMO-UHFFFAOYSA-N 0 0 246.306 2.697 10 30 BFEERN C#Cc1ccccc1NC(=O)NC(C)(C)C ZINC000675078665 538516827 /nfs/dbraw/zinc/51/68/27/538516827.db2.gz IIQRADOUYVGTRW-UHFFFAOYSA-N 0 0 216.284 2.588 10 30 BFEERN Nc1ccc(Cl)cc1C#CC(F)(F)F ZINC000675078871 538518237 /nfs/dbraw/zinc/51/82/37/538518237.db2.gz MKCWANIITUFHQD-UHFFFAOYSA-N 0 0 219.593 2.836 10 30 BFEERN Cc1ccccc1NC1=N[C@@H](C)CS1 ZINC000035295164 356697133 /nfs/dbraw/zinc/69/71/33/356697133.db2.gz GHDOFHSENJXZST-VIFPVBQESA-N 0 0 206.314 2.707 10 30 BFEERN CC#CCN1C[C@@H](c2ccccc2)OCC1(C)C ZINC000160395032 356699095 /nfs/dbraw/zinc/69/90/95/356699095.db2.gz WZKJPVOVGMOEGE-HNNXBMFYSA-N 0 0 243.350 2.862 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@]12CCCC2(C)C ZINC000086869207 538560693 /nfs/dbraw/zinc/56/06/93/538560693.db2.gz WSQKYLODEDIEJM-STQMWFEESA-N 0 0 226.316 2.533 10 30 BFEERN CCCC[C@@]1(CC)O[C@]1(C(=O)OC)C(C)C ZINC000086182738 538551346 /nfs/dbraw/zinc/55/13/46/538551346.db2.gz DFNVYJRYTLKSGD-OLZOCXBDSA-N 0 0 228.332 2.923 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@@]12CCC(C)(C)C2 ZINC000087770704 538569320 /nfs/dbraw/zinc/56/93/20/538569320.db2.gz URAWWXVXOLUCIV-OLZOCXBDSA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@]1(C)O[C@@]12CCC(C)(C)C[C@@H]2C ZINC000222161059 538573988 /nfs/dbraw/zinc/57/39/88/538573988.db2.gz MXXNZAXEDWZMMW-TVYUQYBPSA-N 0 0 226.316 2.533 10 30 BFEERN CCCCCCC[C@@]1(C)O[C@H]1C(=O)OC ZINC000091365780 538594151 /nfs/dbraw/zinc/59/41/51/538594151.db2.gz GCTJTXYQFNFPJV-CMPLNLGQSA-N 0 0 214.305 2.677 10 30 BFEERN CCOC(=O)C#Cc1cccc(Cl)c1C ZINC000095631586 538611495 /nfs/dbraw/zinc/61/14/95/538611495.db2.gz RKWJNYIPZJDUGG-UHFFFAOYSA-N 0 0 222.671 2.563 10 30 BFEERN C[C@H](CC(C)(C)C)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000356936239 134181139 /nfs/dbraw/zinc/18/11/39/134181139.db2.gz PLMAKLGARILQQN-WOPDTQHZSA-N 0 0 236.359 2.867 10 30 BFEERN COC(=O)[C@]1(C)O[C@@]12CCCC[C@@H]2C(C)C ZINC000227955325 538774051 /nfs/dbraw/zinc/77/40/51/538774051.db2.gz QTNZYZMWBBRZFG-KGYLQXTDSA-N 0 0 226.316 2.533 10 30 BFEERN CC#CCC(=O)Cc1cc(C)cc(C)c1 ZINC000053749465 357166802 /nfs/dbraw/zinc/16/68/02/357166802.db2.gz QSEBNSWTZOMATC-UHFFFAOYSA-N 0 0 200.281 2.828 10 30 BFEERN C#CC(=O)c1c(F)cc(Br)cc1F ZINC000168745430 357211195 /nfs/dbraw/zinc/21/11/95/357211195.db2.gz GMBBFYGQTPPZDR-UHFFFAOYSA-N 0 0 245.022 2.543 10 30 BFEERN C#CC(=O)c1ccc(Br)cc1C ZINC000168768341 357225973 /nfs/dbraw/zinc/22/59/73/357225973.db2.gz KLTLWTFWTXZUBN-UHFFFAOYSA-N 0 0 223.069 2.573 10 30 BFEERN CC#Cc1cncc(-c2csc(C=O)c2)c1 ZINC000219642444 357388058 /nfs/dbraw/zinc/38/80/58/357388058.db2.gz XTPJAZKKBPISSX-UHFFFAOYSA-N 0 0 227.288 2.994 10 30 BFEERN Cc1ccc(F)c(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000230686506 357549962 /nfs/dbraw/zinc/54/99/62/357549962.db2.gz HXBBHGMJVBMPGB-FZMZJTMJSA-N 0 0 232.302 2.916 10 30 BFEERN Cc1ccc(F)c(CN[C@@H]2CCC[C@H]2C#N)c1 ZINC000230686501 357550277 /nfs/dbraw/zinc/55/02/77/357550277.db2.gz HXBBHGMJVBMPGB-SMDDNHRTSA-N 0 0 232.302 2.916 10 30 BFEERN C=CCCC(=O)N[C@H]1CCOc2c(C)cccc21 ZINC000189956486 357677913 /nfs/dbraw/zinc/67/79/13/357677913.db2.gz BGPAFTGKEZAGEB-ZDUSSCGKSA-N 0 0 245.322 2.901 10 30 BFEERN NC(=O)c1ccc(/N=C\c2cccs2)cc1 ZINC000100229541 181293318 /nfs/dbraw/zinc/29/33/18/181293318.db2.gz DCLBERGGEJUSRJ-ZSOIEALJSA-N 0 0 230.292 2.598 10 30 BFEERN C=CC[C@H](C)Nc1ncc(Cl)cc1N ZINC000169045889 358093707 /nfs/dbraw/zinc/09/37/07/358093707.db2.gz VOIZIWDZBUHUGJ-ZETCQYMHSA-N 0 0 211.696 2.694 10 30 BFEERN Brc1ccc(C#CC2CC2)nc1 ZINC000584647727 358128043 /nfs/dbraw/zinc/12/80/43/358128043.db2.gz DIXDIIHRURGNDK-UHFFFAOYSA-N 0 0 222.085 2.606 10 30 BFEERN N#Cc1cccc(-c2nc([C@H]3CC34CC4)no2)c1 ZINC000351272209 358169105 /nfs/dbraw/zinc/16/91/05/358169105.db2.gz BRFUGCHNNBQZEP-LLVKDONJSA-N 0 0 237.262 2.876 10 30 BFEERN C=C[C@@]1(CCOCc2ccccc2)COC(=O)C1 ZINC000039042783 358217164 /nfs/dbraw/zinc/21/71/64/358217164.db2.gz BKKUPZJJLZZFRQ-HNNXBMFYSA-N 0 0 246.306 2.713 10 30 BFEERN CSc1ncc(C#Cc2ccccc2)cn1 ZINC000040836444 358247786 /nfs/dbraw/zinc/24/77/86/358247786.db2.gz YUBXCQJWNSGKTB-UHFFFAOYSA-N 0 0 226.304 2.598 10 30 BFEERN N#CCc1ccc(C(=O)c2ccccc2)cc1 ZINC000039306998 358222172 /nfs/dbraw/zinc/22/21/72/358222172.db2.gz ICHCUXZCEQWBNV-UHFFFAOYSA-N 0 0 221.259 2.984 10 30 BFEERN O=C1CCSC/C1=C\c1ccccc1F ZINC000584611277 358275200 /nfs/dbraw/zinc/27/52/00/358275200.db2.gz YQJXWCBSTONZDY-JXMROGBWSA-N 0 0 222.284 2.915 10 30 BFEERN C=C(C(C)=O)[C@H](O)c1cccc(Cl)c1 ZINC000584631152 358275456 /nfs/dbraw/zinc/27/54/56/358275456.db2.gz IQHRXDYCEFSEFA-NSHDSACASA-N 0 0 210.660 2.519 10 30 BFEERN N#CCNCC(c1ccccc1)c1ccccc1 ZINC000584591538 358249706 /nfs/dbraw/zinc/24/97/06/358249706.db2.gz WDIUWAWJBQYJRM-UHFFFAOYSA-N 0 0 236.318 2.932 10 30 BFEERN C=C[C@H](OC(C)=O)Sc1ccccc1 ZINC000584591656 358249883 /nfs/dbraw/zinc/24/98/83/358249883.db2.gz QILJBZRKLFQMAV-LLVKDONJSA-N 0 0 208.282 2.854 10 30 BFEERN O/N=C1\c2ccccc2[C@@H]2CCCCC[C@]12O ZINC000584591840 358250309 /nfs/dbraw/zinc/25/03/09/358250309.db2.gz VLRBSNYJLWPMTI-XMQMHNDASA-N 0 0 231.295 2.657 10 30 BFEERN C#CC1CC(COCc2ccc(OC)cc2)C1 ZINC000584593223 358251026 /nfs/dbraw/zinc/25/10/26/358251026.db2.gz JSSYKEJXBSDYIF-UHFFFAOYSA-N 0 0 230.307 2.871 10 30 BFEERN CCCC[C@@H]1CCC(=O)/C(=C\N(C)C)C1 ZINC000584601317 358258219 /nfs/dbraw/zinc/25/82/19/358258219.db2.gz BZUDHVNLKASJGR-JPQYHBGPSA-N 0 0 209.333 2.991 10 30 BFEERN C#C[C@]1(O)c2ccccc2[C@H]2CCC[C@]21C ZINC000584601363 358258384 /nfs/dbraw/zinc/25/83/84/358258384.db2.gz IXGQEQTXIJHTSU-YUELXQCFSA-N 0 0 212.292 2.795 10 30 BFEERN C#C[C@@](OC)(c1cccc(F)c1)C1(C#N)CC1 ZINC000584603290 358261935 /nfs/dbraw/zinc/26/19/35/358261935.db2.gz QDJAWIKWZAZGJE-CQSZACIVSA-N 0 0 229.254 2.604 10 30 BFEERN C=C(COC(=O)OCC)c1cccs1 ZINC000584603309 358261949 /nfs/dbraw/zinc/26/19/49/358261949.db2.gz VZGJZWLGBSJKAM-UHFFFAOYSA-N 0 0 212.270 2.934 10 30 BFEERN CC(=O)C1=C(C)OC[C@@H]1c1cccs1 ZINC000584615727 358280435 /nfs/dbraw/zinc/28/04/35/358280435.db2.gz MODMSGYSHLDNNR-SECBINFHSA-N 0 0 208.282 2.725 10 30 BFEERN C=C[C@H](C)[C@H](N[S@](=O)C(C)(C)C)C(C)C ZINC000584608966 358269809 /nfs/dbraw/zinc/26/98/09/358269809.db2.gz KXDCGZHLLFHUTG-FIXISWKDSA-N 0 0 231.405 2.885 10 30 BFEERN C=C[C@H](C)[C@H](N[S@@](=O)C(C)(C)C)C(C)C ZINC000584608967 358269934 /nfs/dbraw/zinc/26/99/34/358269934.db2.gz KXDCGZHLLFHUTG-RWSFTLGLSA-N 0 0 231.405 2.885 10 30 BFEERN C[C@](Cl)(/C(=N/Cl)c1ccccc1)[N+](=O)[O-] ZINC000584609551 358271113 /nfs/dbraw/zinc/27/11/13/358271113.db2.gz SFKFUKOXEQZNDU-YXYQAXARSA-N 0 0 247.081 2.861 10 30 BFEERN CN(C)c1ccc(/C=C/C(=O)C(F)(F)F)cc1 ZINC000584609735 358271168 /nfs/dbraw/zinc/27/11/68/358271168.db2.gz QWJFWMMPXFWUDB-VMPITWQZSA-N 0 0 243.228 2.897 10 30 BFEERN CO/N=C(\C)c1c(Cl)cccc1[N+](=O)[O-] ZINC000584609651 358271278 /nfs/dbraw/zinc/27/12/78/358271278.db2.gz VNNIXHGCSWERET-IZZDOVSWSA-N 0 0 228.635 2.619 10 30 BFEERN Cc1nc(C#CC2=C/C(=N/O)CCC2)cs1 ZINC000584609867 358271951 /nfs/dbraw/zinc/27/19/51/358271951.db2.gz JNYSUBFWKJMHOD-SDNWHVSQSA-N 0 0 232.308 2.744 10 30 BFEERN CC/C(=N\O)C1(c2ccccc2)CCOCC1 ZINC000584621252 358288463 /nfs/dbraw/zinc/28/84/63/358288463.db2.gz YWXUFYPIPISDFK-FYWRMAATSA-N 0 0 233.311 2.975 10 30 BFEERN O=C1C=C2CC[C@H]([C@@H]3CCC[C@@H]3O)C[C@@H]2CC1 ZINC000584622832 358290839 /nfs/dbraw/zinc/29/08/39/358290839.db2.gz NDBGXAGSCJKZCP-LVGORTOPSA-N 0 0 234.339 2.853 10 30 BFEERN COc1ccc(C(C)(C)/C(C)=N/O)cc1OC ZINC000584624384 358292493 /nfs/dbraw/zinc/29/24/93/358292493.db2.gz CSTMMHPORZMUTP-NTEUORMPSA-N 0 0 237.299 2.832 10 30 BFEERN Nc1ncc(C#Cc2ccccc2)cc1Cl ZINC000584628623 358297777 /nfs/dbraw/zinc/29/77/77/358297777.db2.gz PBZFMJZMAVJXRV-UHFFFAOYSA-N 0 0 228.682 2.717 10 30 BFEERN N#Cc1cc(OCCCC2CC2)ccn1 ZINC000584628772 358297788 /nfs/dbraw/zinc/29/77/88/358297788.db2.gz RHUGDEOHUVEJCX-UHFFFAOYSA-N 0 0 202.257 2.522 10 30 BFEERN N#Cc1cc(O[C@@H]2C[C@H]3CC[C@@H]2C3)ccn1 ZINC000584628381 358297904 /nfs/dbraw/zinc/29/79/04/358297904.db2.gz COCPVWQMQPXLJK-OPQQBVKSSA-N 0 0 214.268 2.521 10 30 BFEERN C[Si](C)(C)C#C[C@@H](O)c1cccs1 ZINC000584629960 358299028 /nfs/dbraw/zinc/29/90/28/358299028.db2.gz CGOBVVZNGUNXNZ-SECBINFHSA-N 0 0 210.374 2.662 10 30 BFEERN N#C[C@@H](CC1(C(F)(F)F)CC1)c1cncnc1 ZINC000584647555 358302197 /nfs/dbraw/zinc/30/21/97/358302197.db2.gz ZFSGACBUUGLDSJ-MRVPVSSYSA-N 0 0 241.216 2.816 10 30 BFEERN C[C@@H]1CC(=O)Nc2c1c(C#N)cn2C(C)(C)C ZINC000584661930 358312477 /nfs/dbraw/zinc/31/24/77/358312477.db2.gz KUXAZYXOIKOHRJ-MRVPVSSYSA-N 0 0 231.299 2.560 10 30 BFEERN N#CC1=NNN[C@H]1c1cccc2ccccc21 ZINC000584617229 358282373 /nfs/dbraw/zinc/28/23/73/358282373.db2.gz RDGPYFQYXAZHST-STQMWFEESA-N 0 0 222.251 2.743 10 30 BFEERN CCO[C@H](C#N)c1ccc2c(c1)CCC2 ZINC000584618475 358284200 /nfs/dbraw/zinc/28/42/00/358284200.db2.gz JCGZHRKDWBPJPC-CYBMUJFWSA-N 0 0 201.269 2.776 10 30 BFEERN O=C[C@@H]1CCc2c3cccc(F)c3oc2C1 ZINC000584632543 358315412 /nfs/dbraw/zinc/31/54/12/358315412.db2.gz XCMMWVOJKRTBHJ-MRVPVSSYSA-N 0 0 218.227 2.876 10 30 BFEERN C=C[C@]1(c2ccc(F)cc2F)COC(=O)O1 ZINC000584633522 358316911 /nfs/dbraw/zinc/31/69/11/358316911.db2.gz UJGCUMBYMVADOH-LLVKDONJSA-N 0 0 226.178 2.513 10 30 BFEERN C=C[C@]1(c2c(F)cccc2F)COC(=O)O1 ZINC000584633520 358317029 /nfs/dbraw/zinc/31/70/29/358317029.db2.gz UGIWJVDQVZMVCL-LLVKDONJSA-N 0 0 226.178 2.513 10 30 BFEERN C=C[C@](O)(c1ccc(OC)cc1)c1cccnc1 ZINC000584633712 358317458 /nfs/dbraw/zinc/31/74/58/358317458.db2.gz IUZPCMRWRWXALN-HNNXBMFYSA-N 0 0 241.290 2.512 10 30 BFEERN C=C[C@]1(c2ccc(Cl)cc2)COC(=O)O1 ZINC000584634442 358318454 /nfs/dbraw/zinc/31/84/54/358318454.db2.gz BKRSXVKQBXOWLD-LLVKDONJSA-N 0 0 224.643 2.888 10 30 BFEERN C=C(C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC000584636140 358320598 /nfs/dbraw/zinc/32/05/98/358320598.db2.gz BQTIFNPPIFRLCG-UHFFFAOYSA-N 0 0 207.229 2.722 10 30 BFEERN Cc1nc(-c2ccccc2)[nH]c(=O)c1CCC#N ZINC000584639236 358324429 /nfs/dbraw/zinc/32/44/29/358324429.db2.gz FNNAHBVJJRBGLO-UHFFFAOYSA-N 0 0 239.278 2.614 10 30 BFEERN N#Cc1ccc(-c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000584642089 358327903 /nfs/dbraw/zinc/32/79/03/358327903.db2.gz DJRUGPOEFNVMFJ-UHFFFAOYSA-N 0 0 239.234 2.716 10 30 BFEERN C#C[C@H](NC)c1cccc(Cl)c1Cl ZINC000130191408 358749609 /nfs/dbraw/zinc/74/96/09/358749609.db2.gz AFFLBRPMGRAFAK-VIFPVBQESA-N 0 0 214.095 2.887 10 30 BFEERN C=C[C@@H](O)c1c(C)cccc1Br ZINC000306158554 358952106 /nfs/dbraw/zinc/95/21/06/358952106.db2.gz NQTXJEWLDKRZLK-SECBINFHSA-N 0 0 227.101 2.977 10 30 BFEERN C#CC[C@H](C)Nc1cc(Cl)nc(Cl)n1 ZINC000306195076 359023878 /nfs/dbraw/zinc/02/38/78/359023878.db2.gz YDIUFBLIDLNLMB-LURJTMIESA-N 0 0 230.098 2.607 10 30 BFEERN N#CCC[C@H](C#N)CN1CCC[C@@H]1c1ccco1 ZINC000247554371 359234352 /nfs/dbraw/zinc/23/43/52/359234352.db2.gz SWKOALBXSIYDBK-CHWSQXEVSA-N 0 0 243.310 2.860 10 30 BFEERN CCc1nc(C)c(CN[C@@H]2CCCC[C@H]2C#N)o1 ZINC000385550179 359288383 /nfs/dbraw/zinc/28/83/83/359288383.db2.gz WVVOXJNYKHHROJ-NWDGAFQWSA-N 0 0 247.342 2.717 10 30 BFEERN C#C[C@H](NC)c1c(C)cccc1Br ZINC000306213702 359308517 /nfs/dbraw/zinc/30/85/17/359308517.db2.gz VGRDPMLHWUZMDC-JTQLQIEISA-N 0 0 238.128 2.651 10 30 BFEERN C/C(=N\O)c1ccc(C)c(Br)c1 ZINC000306226623 359354724 /nfs/dbraw/zinc/35/47/24/359354724.db2.gz GSSQFLBOVXXRNS-YRNVUSSQSA-N 0 0 228.089 2.956 10 30 BFEERN N#C[C@H]1CC[C@H](Nc2ncc(Cl)s2)C1 ZINC000306219076 359337268 /nfs/dbraw/zinc/33/72/68/359337268.db2.gz MERJOMVOVGEXQH-BQBZGAKWSA-N 0 0 227.720 2.901 10 30 BFEERN C[C@@H]1CCC[C@@]1(C=O)Cc1ccncc1 ZINC000306247944 359434833 /nfs/dbraw/zinc/43/48/33/359434833.db2.gz UHOOZZWFHNYCJQ-YPMHNXCESA-N 0 0 203.285 2.629 10 30 BFEERN CCCN(C)c1c(Cl)nsc1C#N ZINC000306233866 359395476 /nfs/dbraw/zinc/39/54/76/359395476.db2.gz FSURHMGXVPCZSO-UHFFFAOYSA-N 0 0 215.709 2.514 10 30 BFEERN N#CC1([C@H](O)c2ccsc2Cl)CC1 ZINC000306248706 359445820 /nfs/dbraw/zinc/44/58/20/359445820.db2.gz XUHNCMVESFQMGE-SSDOTTSWSA-N 0 0 213.689 2.739 10 30 BFEERN C#CC[C@@H](O)c1c(C)cccc1Br ZINC000306257055 359472708 /nfs/dbraw/zinc/47/27/08/359472708.db2.gz YOGNICLOLNUCOL-SNVBAGLBSA-N 0 0 239.112 2.814 10 30 BFEERN CC#CCCC(=O)[C@H]1SCCS[C@H]1C ZINC000160954526 359563719 /nfs/dbraw/zinc/56/37/19/359563719.db2.gz CGQQGNDGXHLKGA-ONGXEEELSA-N 0 0 228.382 2.596 10 30 BFEERN CCN(C[C@@H](C)C#N)c1cc(N)ccc1C ZINC000053735406 169878726 /nfs/dbraw/zinc/87/87/26/169878726.db2.gz JLJGHDPZBBYHET-JTQLQIEISA-N 0 0 217.316 2.563 10 30 BFEERN C=CCNc1c(N)ccc(Cl)c1F ZINC000306383187 359735474 /nfs/dbraw/zinc/73/54/74/359735474.db2.gz UWGAYDIBXNQIKJ-UHFFFAOYSA-N 0 0 200.644 2.659 10 30 BFEERN C[C@]1(c2cccc(Cl)c2)CC[C@H](C=O)O1 ZINC000306420890 359865828 /nfs/dbraw/zinc/86/58/28/359865828.db2.gz GKODGGXSINWTPX-VXGBXAGGSA-N 0 0 224.687 2.933 10 30 BFEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)sc1C ZINC000087567108 359917664 /nfs/dbraw/zinc/91/76/64/359917664.db2.gz NHEHTDPCTAQKAT-GHMZBOCLSA-N 0 0 248.351 2.787 10 30 BFEERN C=C(Cl)CNc1cc(Cl)nc(Cl)n1 ZINC000306451588 360034971 /nfs/dbraw/zinc/03/49/71/360034971.db2.gz CUWYJQVKJLRBIB-UHFFFAOYSA-N 0 0 238.505 2.948 10 30 BFEERN C/C(=N\O)c1cc(F)ccc1Br ZINC000306451175 360037000 /nfs/dbraw/zinc/03/70/00/360037000.db2.gz BJJXKACPLHPYER-VZUCSPMQSA-N 0 0 232.052 2.786 10 30 BFEERN CO[C@H](C=O)c1ccc(C)cc1Br ZINC000306464136 360075915 /nfs/dbraw/zinc/07/59/15/360075915.db2.gz IWXFKIAOXUVABL-SNVBAGLBSA-N 0 0 243.100 2.644 10 30 BFEERN O=CC1(Cc2cccc(F)c2F)CCC1 ZINC000306470346 360087653 /nfs/dbraw/zinc/08/76/53/360087653.db2.gz QKDHNZUAOGSQQS-UHFFFAOYSA-N 0 0 210.223 2.877 10 30 BFEERN O=CC1(Cc2ccccc2Br)CC1 ZINC000306476934 360114027 /nfs/dbraw/zinc/11/40/27/360114027.db2.gz YQACIMMIXVCFFJ-UHFFFAOYSA-N 0 0 239.112 2.971 10 30 BFEERN O=C(c1sccc1F)C1=COCCC1 ZINC000306487378 360160792 /nfs/dbraw/zinc/16/07/92/360160792.db2.gz JCJWLNSJJKFFIP-UHFFFAOYSA-N 0 0 212.245 2.764 10 30 BFEERN O=C(c1coc(Br)c1)C1=COCC1 ZINC000306522985 360365232 /nfs/dbraw/zinc/36/52/32/360365232.db2.gz MSUCRUKABWPAMU-UHFFFAOYSA-N 0 0 243.056 2.529 10 30 BFEERN C#C[C@](C)(CC)Oc1nc(Cl)ncc1Cl ZINC000306586223 360486475 /nfs/dbraw/zinc/48/64/75/360486475.db2.gz TUWCGYZHAIYELL-SNVBAGLBSA-N 0 0 245.109 2.964 10 30 BFEERN CC(C)(C)C#CC[C@H]([NH3+])c1cscn1 ZINC000300757333 360453676 /nfs/dbraw/zinc/45/36/76/360453676.db2.gz MXJBTWNCAJOSDQ-VIFPVBQESA-N 0 0 208.330 2.583 10 30 BFEERN CC(C)(C)C#CC[C@@H](O)CC(F)(F)F ZINC000300759009 360455048 /nfs/dbraw/zinc/45/50/48/360455048.db2.gz NHMGYIVGMMZMOS-MRVPVSSYSA-N 0 0 208.223 2.739 10 30 BFEERN Cc1cc(CC#N)c(Cl)c([N+](=O)[O-])c1 ZINC000306598914 360519861 /nfs/dbraw/zinc/51/98/61/360519861.db2.gz GUXBXTYPGATBHB-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN C[C@@]1(c2ccccc2F)CC(=O)C=CO1 ZINC000069852474 360724163 /nfs/dbraw/zinc/72/41/63/360724163.db2.gz CBZSMELHBLLPLS-LBPRGKRZSA-N 0 0 206.216 2.544 10 30 BFEERN N#Cc1cnc(Cl)c(OC(F)(F)F)c1 ZINC000238526369 361139544 /nfs/dbraw/zinc/13/95/44/361139544.db2.gz CGFNKPFIGOQWDG-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN Cc1cccc(OC(F)(F)F)c1C#N ZINC000238538027 361141269 /nfs/dbraw/zinc/14/12/69/361141269.db2.gz DDUQKSBWOCNIOE-UHFFFAOYSA-N 0 0 201.147 2.765 10 30 BFEERN N#Cc1ccc(OC(F)(F)F)c(Cl)n1 ZINC000238533634 361143505 /nfs/dbraw/zinc/14/35/05/361143505.db2.gz HEDRJSNDCUYCRH-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#CCc1cc(OC(F)(F)F)cnc1Cl ZINC000238541574 361147088 /nfs/dbraw/zinc/14/70/88/361147088.db2.gz OCPUFQDEBZKXQH-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN CC(=O)/C=C/c1ccc(Br)o1 ZINC000070586428 361573975 /nfs/dbraw/zinc/57/39/75/361573975.db2.gz UWWSOMAVGKWODG-NSCUHMNNSA-N 0 0 215.046 2.644 10 30 BFEERN CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1C#N ZINC000250604166 364011631 /nfs/dbraw/zinc/01/16/31/364011631.db2.gz KUZUUJIGGAUXJP-CLLJXQQHSA-N 0 0 240.306 2.567 10 30 BFEERN CC(C)(C)Nc1cc(C#N)cc(Cl)n1 ZINC000215380837 370766145 /nfs/dbraw/zinc/76/61/45/370766145.db2.gz DCYTXPXIHXUJTO-UHFFFAOYSA-N 0 0 209.680 2.817 10 30 BFEERN CCOC(=O)[C@@H]1O[C@@]12CCC(C)(C)C[C@H]2C ZINC000250714086 541440180 /nfs/dbraw/zinc/44/01/80/541440180.db2.gz ZPYGGEZPYUJRKM-GBIKHYSHSA-N 0 0 226.316 2.533 10 30 BFEERN C=CCc1cc(Cn2cccn2)ccc1F ZINC000667943095 541433739 /nfs/dbraw/zinc/43/37/39/541433739.db2.gz SNIDUKNQFNICLP-UHFFFAOYSA-N 0 0 216.259 2.799 10 30 BFEERN Cc1cccc(CN[C@H]2CCC[C@H]2C#N)c1F ZINC000335626549 365295753 /nfs/dbraw/zinc/29/57/53/365295753.db2.gz SQFDNDVBMCHESQ-AAEUAGOBSA-N 0 0 232.302 2.916 10 30 BFEERN C[C@@H]1CC[C@H](C)c2cnc(N)c(C#N)c21 ZINC000675064329 541466387 /nfs/dbraw/zinc/46/63/87/541466387.db2.gz YCLVNJYUAVFTTE-JGVFFNPUSA-N 0 0 201.273 2.536 10 30 BFEERN C[C@H](CO)S[C@@H]1CCCCC[C@H]1C#N ZINC000252755054 368016416 /nfs/dbraw/zinc/01/64/16/368016416.db2.gz IWZQSFUDCCOQDK-OUAUKWLOSA-N 0 0 213.346 2.573 10 30 BFEERN C#CCCc1cc2ccc(C(=O)OC)cc2o1 ZINC000102254225 368340573 /nfs/dbraw/zinc/34/05/73/368340573.db2.gz JTBLUHTUQKVAAF-UHFFFAOYSA-N 0 0 228.247 2.785 10 30 BFEERN CCC/C(Cl)=N/OC(=O)N(CC)CC ZINC000095831679 368411843 /nfs/dbraw/zinc/41/18/43/368411843.db2.gz NHCLJLUJYIGMNC-FLIBITNWSA-N 0 0 220.700 2.817 10 30 BFEERN O=CC1(CC2(C=O)CCCC2)CCCC1 ZINC000230457211 368418037 /nfs/dbraw/zinc/41/80/37/368418037.db2.gz QOAWRFGSXBLNRR-UHFFFAOYSA-N 0 0 208.301 2.895 10 30 BFEERN C=CC[C@@H](O)[C@@H](C)OCc1ccccc1 ZINC000038251983 368408379 /nfs/dbraw/zinc/40/83/79/368408379.db2.gz WHJDLQGVVYDCOC-DGCLKSJQSA-N 0 0 206.285 2.529 10 30 BFEERN COc1ccc2c(c1)C(C)(C)/C(=N/O)CC2 ZINC000113727081 368903193 /nfs/dbraw/zinc/90/31/93/368903193.db2.gz WOSZXSLDXPEZKU-WYMLVPIESA-N 0 0 219.284 2.749 10 30 BFEERN N#Cc1cccc(/C(=C/c2ccccc2)C(N)=O)c1 ZINC000114248274 368931159 /nfs/dbraw/zinc/93/11/59/368931159.db2.gz IEKNNMPKDQYMQA-GDNBJRDFSA-N 0 0 248.285 2.584 10 30 BFEERN C#CCn1c2ccccc2c(=O)c2ccccc21 ZINC000005282270 369013695 /nfs/dbraw/zinc/01/36/95/369013695.db2.gz FQWHHZRYVBBJHL-UHFFFAOYSA-N 0 0 233.270 2.788 10 30 BFEERN CC[C@@H](C#N)C(=O)c1cccc(F)c1F ZINC000054207109 369060079 /nfs/dbraw/zinc/06/00/79/369060079.db2.gz NATYZBXXUWOURR-ZETCQYMHSA-N 0 0 209.195 2.697 10 30 BFEERN Cc1cc(CN[C@H]2CCCC[C@@H]2C#N)sn1 ZINC000404308695 369425622 /nfs/dbraw/zinc/42/56/22/369425622.db2.gz GWBGOHIAOQIQNW-PWSUYJOCSA-N 0 0 235.356 2.624 10 30 BFEERN N#Cc1cc(-c2ccccc2)nn1C(F)F ZINC000409443051 369977829 /nfs/dbraw/zinc/97/78/29/369977829.db2.gz GBIAAYWSYYCMST-UHFFFAOYSA-N 0 0 219.194 2.817 10 30 BFEERN N#Cc1cn(CC2CC2)nc1-c1cccs1 ZINC000409441434 369978306 /nfs/dbraw/zinc/97/83/06/369978306.db2.gz XWRKVELTPYSGGX-UHFFFAOYSA-N 0 0 229.308 2.893 10 30 BFEERN N#Cc1cc(-c2cccs2)nn1CC1CC1 ZINC000409444038 369978395 /nfs/dbraw/zinc/97/83/95/369978395.db2.gz ZDYXJSNDIKMGIL-UHFFFAOYSA-N 0 0 229.308 2.893 10 30 BFEERN N#Cc1cc(F)c(N2CCCCC2)nc1Cl ZINC000409424938 369975924 /nfs/dbraw/zinc/97/59/24/369975924.db2.gz IQEUHIWMGOHKRM-UHFFFAOYSA-N 0 0 239.681 2.736 10 30 BFEERN Cc1cccc(Cc2cc(C#N)nc(C)n2)c1 ZINC000409440074 369977120 /nfs/dbraw/zinc/97/71/20/369977120.db2.gz VPMCUXLHGCMQSQ-UHFFFAOYSA-N 0 0 223.279 2.556 10 30 BFEERN CN(C)c1ccc(/C=[N+](\[O-])c2ccccc2)cc1 ZINC000225399304 370526998 /nfs/dbraw/zinc/52/69/98/370526998.db2.gz QILUEURJFZAJIK-UHFFFAOYSA-N 0 0 241.314 2.905 10 30 BFEERN Cc1cc(CN[C@@H]2CCCC[C@H]2C#N)ccn1 ZINC000391189534 371276533 /nfs/dbraw/zinc/27/65/33/371276533.db2.gz OOTDOGYPCHDIIS-UONOGXRCSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1cc(Oc2cccnc2)c(C#N)c(C)n1 ZINC000156540473 371441876 /nfs/dbraw/zinc/44/18/76/371441876.db2.gz GFJMYNCUHCIKAS-UHFFFAOYSA-N 0 0 225.251 2.757 10 30 BFEERN Cc1cc(NCc2ccco2)c(C#N)c(C)n1 ZINC000156533616 371442384 /nfs/dbraw/zinc/44/23/84/371442384.db2.gz UCBUGGAVGOPLKZ-UHFFFAOYSA-N 0 0 227.267 2.775 10 30 BFEERN CC(C)(C#N)Cc1ccc(Br)cn1 ZINC000161828132 371567243 /nfs/dbraw/zinc/56/72/43/371567243.db2.gz SPIDYKPFOQYWQP-UHFFFAOYSA-N 0 0 239.116 2.936 10 30 BFEERN C=CCN(C)c1cccc(Cl)c1C#N ZINC000131363289 371595999 /nfs/dbraw/zinc/59/59/99/371595999.db2.gz ZKVBNFRVJPWCHR-UHFFFAOYSA-N 0 0 206.676 2.834 10 30 BFEERN N#CC[C@@H](O)c1ccc(Br)c(F)c1 ZINC000161982335 371597143 /nfs/dbraw/zinc/59/71/43/371597143.db2.gz CUAIDWYRJMFFKC-SECBINFHSA-N 0 0 244.063 2.535 10 30 BFEERN C#C[C@H](CC)Nc1ccncc1Br ZINC000230001056 371631983 /nfs/dbraw/zinc/63/19/83/371631983.db2.gz XMRPDEMOFBHSBM-MRVPVSSYSA-N 0 0 239.116 2.668 10 30 BFEERN C[C@H](CO)S[C@H]1CCCCC[C@@H]1C#N ZINC000162424807 371678318 /nfs/dbraw/zinc/67/83/18/371678318.db2.gz IWZQSFUDCCOQDK-MXWKQRLJSA-N 0 0 213.346 2.573 10 30 BFEERN C#C[C@@H](CC)Nc1ncc(Cl)cc1F ZINC000230000745 371633090 /nfs/dbraw/zinc/63/30/90/371633090.db2.gz RITWZJMXIAHCPU-QMMMGPOBSA-N 0 0 212.655 2.698 10 30 BFEERN CC[C@H](C#N)C(=O)c1cc(C)cc(F)c1 ZINC000131865076 371700088 /nfs/dbraw/zinc/70/00/88/371700088.db2.gz BSROZPDPULKUEU-SECBINFHSA-N 0 0 205.232 2.867 10 30 BFEERN Cc1cc(C(=O)[C@H](C)C#N)c(F)cc1F ZINC000132026615 371743047 /nfs/dbraw/zinc/74/30/47/371743047.db2.gz JICAGRUZZWKRIP-SSDOTTSWSA-N 0 0 209.195 2.616 10 30 BFEERN Cc1ccncc1CN[C@@H]1CCCC[C@H]1C#N ZINC000162755705 371841182 /nfs/dbraw/zinc/84/11/82/371841182.db2.gz RZZPBKAWCBLNSN-GXTWGEPZSA-N 0 0 229.327 2.562 10 30 BFEERN O=C(/C=C/c1ccc(Cl)cc1Cl)NO ZINC000014980419 181836572 /nfs/dbraw/zinc/83/65/72/181836572.db2.gz LHTLDFWBUPYUDR-DUXPYHPUSA-N 0 0 232.066 2.512 10 30 in-vivo BFEERN C#CCC[C@H](O)c1cc(Cl)ccc1F ZINC000163277318 371964155 /nfs/dbraw/zinc/96/41/55/371964155.db2.gz KQEHFADNDCRKCB-NSHDSACASA-N 0 0 212.651 2.926 10 30 BFEERN CC(C)(C)SC1(C#N)CC2(COC2)C1 ZINC000228058431 371982703 /nfs/dbraw/zinc/98/27/03/371982703.db2.gz VSOMZZYIVHJCTD-UHFFFAOYSA-N 0 0 211.330 2.591 10 30 BFEERN Cn1cc(C#N)cc1-c1nc(CC(C)(C)C)no1 ZINC000230998314 371983170 /nfs/dbraw/zinc/98/31/70/371983170.db2.gz LFRNEGQMPBFDMK-UHFFFAOYSA-N 0 0 244.298 2.535 10 30 BFEERN C=C(C)C[C@H](O)[C@@H]1SCCS[C@@H]1C ZINC000228088877 371988350 /nfs/dbraw/zinc/98/83/50/371988350.db2.gz RAGXPWZNAFJMJI-KXUCPTDWSA-N 0 0 218.387 2.551 10 30 BFEERN Cc1cc(Cl)c(CC#N)cc1[N+](=O)[O-] ZINC000307273024 372106039 /nfs/dbraw/zinc/10/60/39/372106039.db2.gz VIHGSAPYDRQFRO-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN C[C@@]1(c2ccccc2Cl)CC[C@H](C=O)O1 ZINC000307282501 372107665 /nfs/dbraw/zinc/10/76/65/372107665.db2.gz LCAYAMZUTIJKLO-SKDRFNHKSA-N 0 0 224.687 2.933 10 30 BFEERN C#CC[C@H](C)Nc1nnc(Cl)c(C)c1C ZINC000229327032 372142583 /nfs/dbraw/zinc/14/25/83/372142583.db2.gz YQWPWBHEGIIKPT-ZETCQYMHSA-N 0 0 223.707 2.571 10 30 BFEERN CCN[C@H](C#N)c1cccc(Cl)c1F ZINC000229244774 372131785 /nfs/dbraw/zinc/13/17/85/372131785.db2.gz NNRMWISSEHYDRV-SECBINFHSA-N 0 0 212.655 2.653 10 30 BFEERN Fc1cc([C@H]2CO2)cc(C(F)(F)F)c1 ZINC000140055487 372418400 /nfs/dbraw/zinc/41/84/00/372418400.db2.gz IGRLLLZMGYJHBP-MRVPVSSYSA-N 0 0 206.138 2.916 10 30 BFEERN N#Cc1ccc(-c2nccnc2Cl)cc1 ZINC000141764805 373028743 /nfs/dbraw/zinc/02/87/43/373028743.db2.gz GIRHTQVEAQGEKX-UHFFFAOYSA-N 0 0 215.643 2.669 10 30 BFEERN O=C1C=CO[C@H](c2c(F)cccc2F)C1 ZINC000069850328 373876677 /nfs/dbraw/zinc/87/66/77/373876677.db2.gz FMMSVISQICXJIU-JTQLQIEISA-N 0 0 210.179 2.509 10 30 BFEERN C#CCOc1ccc(Br)cc1F ZINC000041634767 374167898 /nfs/dbraw/zinc/16/78/98/374167898.db2.gz DGRJBYKHCWJRHJ-UHFFFAOYSA-N 0 0 229.048 2.600 10 30 BFEERN CC1(C)CCc2nc(CC#N)sc2C1 ZINC000070654352 374171664 /nfs/dbraw/zinc/17/16/64/374171664.db2.gz MQNVAFXFXRVKAC-UHFFFAOYSA-N 0 0 206.314 2.724 10 30 BFEERN O=CCc1cc(Cl)ccc1Br ZINC000085220622 182851887 /nfs/dbraw/zinc/85/18/87/182851887.db2.gz ATUMEGVYSYFWDU-UHFFFAOYSA-N 0 0 233.492 2.844 10 30 BFEERN O=C[C@H](c1ccc(O)cc1)C1CCCC1 ZINC000098179268 182857539 /nfs/dbraw/zinc/85/75/39/182857539.db2.gz UUBMASKDWMPULO-ZDUSSCGKSA-N 0 0 204.269 2.865 10 30 BFEERN OCCC#Cc1ccc(OC2CCCC2)cc1 ZINC000037544222 183042183 /nfs/dbraw/zinc/04/21/83/183042183.db2.gz KUCJOQHPSIPOAE-UHFFFAOYSA-N 0 0 230.307 2.742 10 30 BFEERN OCC#Cc1ccc(COC2CCCC2)c(F)c1 ZINC000049619863 183032144 /nfs/dbraw/zinc/03/21/44/183032144.db2.gz DZNBCVDQVQNXGE-UHFFFAOYSA-N 0 0 248.297 2.629 10 30 BFEERN CCCCc1ccc(N2C[C@H](C#N)CC2=O)cc1 ZINC000033434840 169021117 /nfs/dbraw/zinc/02/11/17/169021117.db2.gz QVAFVLHQVLYXDF-ZDUSSCGKSA-N 0 0 242.322 2.906 10 30 BFEERN O[C@H](C#Cc1ccccc1)C1CCCCC1 ZINC000015422867 183217472 /nfs/dbraw/zinc/21/74/72/183217472.db2.gz JLHUBNFRCIAJCA-OAHLLOKOSA-N 0 0 214.308 2.979 10 30 BFEERN CCCN[C@@H](C#N)c1ccc(OCC)cc1 ZINC000020175066 169274037 /nfs/dbraw/zinc/27/40/37/169274037.db2.gz GMDAIFSFSGFWJD-ZDUSSCGKSA-N 0 0 218.300 2.650 10 30 BFEERN CCCOCCCOc1ccccc1C#N ZINC000037139178 169309169 /nfs/dbraw/zinc/30/91/69/169309169.db2.gz XPLRVOBHGIZJCR-UHFFFAOYSA-N 0 0 219.284 2.754 10 30 BFEERN CCCNc1ccc(-c2ccc(C#N)cc2)nn1 ZINC000050868223 169294208 /nfs/dbraw/zinc/29/42/08/169294208.db2.gz HMQYETPRKQNAMT-UHFFFAOYSA-N 0 0 238.294 2.837 10 30 BFEERN CCCO/C=C(\Cl)C(=O)C(F)(F)F ZINC000072266336 169296481 /nfs/dbraw/zinc/29/64/81/169296481.db2.gz JBUFTCBEJWTMRK-PLNGDYQASA-N 0 0 216.586 2.625 10 30 BFEERN CCCOc1ccc([C@@H](C#N)NCC)cc1 ZINC000020176382 169320638 /nfs/dbraw/zinc/32/06/38/169320638.db2.gz CQECATJHQUJJIS-CYBMUJFWSA-N 0 0 218.300 2.650 10 30 BFEERN CCCOc1ccc([C@@H](C#N)N(C)C)cc1 ZINC000019934861 169321006 /nfs/dbraw/zinc/32/10/06/169321006.db2.gz BXVVPGORKVGONQ-CYBMUJFWSA-N 0 0 218.300 2.602 10 30 BFEERN CCCOc1cccc([C@@H](C#N)NC2CC2)c1 ZINC000020176634 169325885 /nfs/dbraw/zinc/32/58/85/169325885.db2.gz HPIMPYKKZWAHAE-CQSZACIVSA-N 0 0 230.311 2.792 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1ccc(C#N)nc1 ZINC000226804865 169434143 /nfs/dbraw/zinc/43/41/43/169434143.db2.gz QNGIUNSFLWIWIN-SKDRFNHKSA-N 0 0 201.273 2.554 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1ccc(C)c(C#N)n1 ZINC000302672114 169434488 /nfs/dbraw/zinc/43/44/88/169434488.db2.gz RXLOUEDLCGILCN-MNOVXSKESA-N 0 0 215.300 2.862 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1cccnc1C#N ZINC000233442626 169534413 /nfs/dbraw/zinc/53/44/13/169534413.db2.gz VQLWIMJWEZLXHZ-ONGXEEELSA-N 0 0 201.273 2.554 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1ccc(C#N)nc1 ZINC000226804872 169535081 /nfs/dbraw/zinc/53/50/81/169535081.db2.gz QNGIUNSFLWIWIN-CABZTGNLSA-N 0 0 201.273 2.554 10 30 BFEERN CCC[C@@H]1C[C@@H]1NC(=O)[C@]1(C#N)CC12CCCC2 ZINC000333618506 535463305 /nfs/dbraw/zinc/46/33/05/535463305.db2.gz YALAYFKJHPAWTI-TYNCELHUSA-N 0 0 246.354 2.765 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1ccnc(C#N)c1 ZINC000288577703 383912849 /nfs/dbraw/zinc/91/28/49/383912849.db2.gz XFIPZXBSPBIORO-SKDRFNHKSA-N 0 0 201.273 2.554 10 30 BFEERN COc1cc(CC#N)cc(C#N)c1C(F)(F)F ZINC000575645454 383950019 /nfs/dbraw/zinc/95/00/19/383950019.db2.gz GDRMZBPWFCXECH-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN N#CCc1cc(C#N)c(F)c(OC(F)(F)F)c1 ZINC000575650147 384026046 /nfs/dbraw/zinc/02/60/46/384026046.db2.gz WNXVIJMZANFQQG-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN N#CCc1ccc(F)c(C(F)(F)F)c1C#N ZINC000575649935 384005168 /nfs/dbraw/zinc/00/51/68/384005168.db2.gz VSQAGESMMJIJEU-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN N#CCC(=O)c1cccc(F)c1Br ZINC000155859415 384045185 /nfs/dbraw/zinc/04/51/85/384045185.db2.gz MKZOTZHTZYBCRB-UHFFFAOYSA-N 0 0 242.047 2.685 10 30 BFEERN O=C1c2ccccc2O[C@H](c2ccccc2)N1O ZINC000005139003 384100569 /nfs/dbraw/zinc/10/05/69/384100569.db2.gz REYPFGVUOUTVNT-CQSZACIVSA-N 0 0 241.246 2.609 10 30 BFEERN Cc1cc(C(C)(C)C)ccc1OCC=O ZINC000006070129 384142417 /nfs/dbraw/zinc/14/24/17/384142417.db2.gz FNNIBABFMNWSRX-UHFFFAOYSA-N 0 0 206.285 2.870 10 30 BFEERN C#CCCCNC(=O)N1CCC[C@H]1c1ccco1 ZINC000173376821 533037619 /nfs/dbraw/zinc/03/76/19/533037619.db2.gz RLBYYGVFRHGYPD-LBPRGKRZSA-N 0 0 246.310 2.540 10 30 BFEERN CCC(O)(CC)CNc1cc(C)nc(C)c1C#N ZINC000157587276 384224836 /nfs/dbraw/zinc/22/48/36/384224836.db2.gz REFYCEHRLFBXCV-UHFFFAOYSA-N 0 0 247.342 2.533 10 30 BFEERN N#C[C@H]1CCCC[C@H]1Sc1ncco1 ZINC000236218277 384263045 /nfs/dbraw/zinc/26/30/45/384263045.db2.gz CRKWKWIBRLCWDQ-RKDXNWHRSA-N 0 0 208.286 2.849 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1ccnc(C#N)c1 ZINC000233442681 384346181 /nfs/dbraw/zinc/34/61/81/384346181.db2.gz XFIPZXBSPBIORO-CABZTGNLSA-N 0 0 201.273 2.554 10 30 BFEERN Cc1ccc(C[C@H]2COCC[C@H]2S)cc1 ZINC000095089997 384361065 /nfs/dbraw/zinc/36/10/65/384361065.db2.gz PMYNMMOZKGBCHA-QWHCGFSZSA-N 0 0 222.353 2.872 10 30 BFEERN CCCC=CC=C[C@@H]1CCC(=O)C(=O)C1CO ZINC000514287862 384404217 /nfs/dbraw/zinc/40/42/17/384404217.db2.gz JSLMNXFCDHWCGJ-ILMMAJNQSA-N 0 0 236.311 2.682 10 30 BFEERN CCc1[nH]c2ncc(Cl)cc2c1/C=N/O ZINC000095937227 384416364 /nfs/dbraw/zinc/41/63/64/384416364.db2.gz MTXBSECZYBWGJG-WLRTZDKTSA-N 0 0 223.663 2.587 10 30 BFEERN O=CCCc1ccc(-c2cccnc2)cc1 ZINC000095938105 384416405 /nfs/dbraw/zinc/41/64/05/384416405.db2.gz HLQZSUZQNKALJW-UHFFFAOYSA-N 0 0 211.264 2.880 10 30 BFEERN Cc1c(CC#N)ccc([N+](=O)[O-])c1OC(F)F ZINC000575668363 384447253 /nfs/dbraw/zinc/44/72/53/384447253.db2.gz VMDZMXHGWMCHGP-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN C=CCCOCCNc1cc(C)nc(C)c1C#N ZINC000229870633 384453454 /nfs/dbraw/zinc/45/34/54/384453454.db2.gz XIUXJIQTCUYPMZ-UHFFFAOYSA-N 0 0 245.326 2.575 10 30 BFEERN N#Cc1cc([N+](=O)[O-])cc(F)c1C(F)F ZINC000575669770 384455621 /nfs/dbraw/zinc/45/56/21/384455621.db2.gz NHIIQMSUGIJUDS-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN COc1cc(C#N)c(OC)c(C(F)(F)F)c1 ZINC000258432494 384575687 /nfs/dbraw/zinc/57/56/87/384575687.db2.gz MYCWTFWSHOTDCV-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN C[C@H]1CC[C@@](O)(c2ccc(C#N)cc2)C1 ZINC000521400731 384630131 /nfs/dbraw/zinc/63/01/31/384630131.db2.gz CRJKAYMBGAANNK-GWCFXTLKSA-N 0 0 201.269 2.566 10 30 BFEERN CCOc1cc(CC#N)c(CC)c([N+](=O)[O-])c1 ZINC000575695548 384665592 /nfs/dbraw/zinc/66/55/92/384665592.db2.gz KKNPDBNEAVACEA-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)N1CCC(CC#N)CC1 ZINC000335141479 384640968 /nfs/dbraw/zinc/64/09/68/384640968.db2.gz GKJSODJVPZHNAC-DGCLKSJQSA-N 0 0 234.343 2.575 10 30 BFEERN FC(F)(F)c1ccc(C[C@H]2CO2)cc1 ZINC000082164163 384648137 /nfs/dbraw/zinc/64/81/37/384648137.db2.gz NQWOVJJSRRUKGU-VIFPVBQESA-N 0 0 202.175 2.647 10 30 BFEERN CCOC(=O)CCC/C=C\CC1=CCCC1=O ZINC000145362200 384775093 /nfs/dbraw/zinc/77/50/93/384775093.db2.gz ITQJOZWMJYJJQJ-HYXAFXHYSA-N 0 0 236.311 2.955 10 30 BFEERN Cc1c(F)cccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000335053507 384781081 /nfs/dbraw/zinc/78/10/81/384781081.db2.gz XYVAKLFNAORQRB-GXFFZTMASA-N 0 0 246.285 2.556 10 30 BFEERN CC(C)(C)OC(=O)N1CC[C@H](CCS)C1 ZINC000084303445 384858475 /nfs/dbraw/zinc/85/84/75/384858475.db2.gz NPJUGERPGXFQNG-SECBINFHSA-N 0 0 231.361 2.563 10 30 BFEERN O=CCCc1ccc(Br)s1 ZINC000060710433 384860368 /nfs/dbraw/zinc/86/03/68/384860368.db2.gz CNWJNMSFULGRMF-UHFFFAOYSA-N 0 0 219.103 2.642 10 30 BFEERN C=CC[C@@H](CO)Nc1cc(Cl)ccc1C#N ZINC000302118883 384960633 /nfs/dbraw/zinc/96/06/33/384960633.db2.gz FDWCWJIEBCVYPH-NSHDSACASA-N 0 0 236.702 2.561 10 30 BFEERN O/N=C/c1ccc(-c2ccc(O)cc2)cc1O ZINC000029136209 384921578 /nfs/dbraw/zinc/92/15/78/384921578.db2.gz SFOYMCBJEFPROT-RIYZIHGNSA-N 0 0 229.235 2.573 10 30 BFEERN C=CC[C@H](CO)Nc1cc(Cl)ccc1C#N ZINC000302118881 384961362 /nfs/dbraw/zinc/96/13/62/384961362.db2.gz FDWCWJIEBCVYPH-LLVKDONJSA-N 0 0 236.702 2.561 10 30 BFEERN Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N[C@H](C)CC#N ZINC000247005677 385273992 /nfs/dbraw/zinc/27/39/92/385273992.db2.gz NMSPRYDCTVZZRC-XBFCOCLRSA-N 0 0 242.322 2.517 10 30 BFEERN CC(C)(C)C[C@@H]1CCCN1c1nccc(C#N)n1 ZINC000408452312 385651675 /nfs/dbraw/zinc/65/16/75/385651675.db2.gz MHWFZDMQKQKMGK-LBPRGKRZSA-N 0 0 244.342 2.753 10 30 BFEERN Nc1cccc(C#Cc2n[nH]c3ccccc23)c1 ZINC000066263695 385840209 /nfs/dbraw/zinc/84/02/09/385840209.db2.gz KWDWCNUKZHIQCN-UHFFFAOYSA-N 0 0 233.274 2.545 10 30 BFEERN N#Cc1ccnc(N2CCC[C@@H]3CCCC[C@@H]32)n1 ZINC000231897411 385859162 /nfs/dbraw/zinc/85/91/62/385859162.db2.gz NFSFSVYBCQPYAR-AAEUAGOBSA-N 0 0 242.326 2.507 10 30 BFEERN Cc1cc(C2CCCCC2)c(C#N)c(=O)[nH]1 ZINC000059092422 385977341 /nfs/dbraw/zinc/97/73/41/385977341.db2.gz PLNLUZYSEVYBIK-UHFFFAOYSA-N 0 0 216.284 2.603 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)N(CC#N)C1CCCC1 ZINC000230058213 386328505 /nfs/dbraw/zinc/32/85/05/386328505.db2.gz DCYZEARANRCUQN-YPMHNXCESA-N 0 0 234.343 2.717 10 30 BFEERN CC(C)(C)OC(=O)n1ncc2c1cccc2C#N ZINC000087493361 386474082 /nfs/dbraw/zinc/47/40/82/386474082.db2.gz PITBQPLHNCOKSL-UHFFFAOYSA-N 0 0 243.266 2.691 10 30 BFEERN C=CC1CCN(C(=O)[C@@H]2CCC[C@H]2C)CC1 ZINC000335443795 386506850 /nfs/dbraw/zinc/50/68/50/386506850.db2.gz BVABCBAKKJWXNT-DGCLKSJQSA-N 0 0 221.344 2.847 10 30 BFEERN C[C@@H]1CCC[C@]1(O)c1cccc(C#N)c1 ZINC000521401778 386462644 /nfs/dbraw/zinc/46/26/44/386462644.db2.gz OYCXERHTPDZLNM-ZWNOBZJWSA-N 0 0 201.269 2.566 10 30 BFEERN CCOc1cc(CC)c(CC#N)cc1C#N ZINC000575643181 386580048 /nfs/dbraw/zinc/58/00/48/386580048.db2.gz ODIUXPKIGMEJGZ-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN C=C1CC[C@@H](O)[C@]2(C)CC[C@H]([C@H](O)C(C)C)[C@@H]12 ZINC000095914029 386557847 /nfs/dbraw/zinc/55/78/47/386557847.db2.gz OZBVMKPZPKMEGY-JARUQAPTSA-N 0 0 238.371 2.747 10 30 biogenic,in-vitro BFEERN COC(=O)c1c(C#N)cc(F)cc1C(F)(F)F ZINC000575344839 386709573 /nfs/dbraw/zinc/70/95/73/386709573.db2.gz AKFSNJYNFYXNDP-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN CCOC(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000575345223 386710690 /nfs/dbraw/zinc/71/06/90/386710690.db2.gz KQYLPRVTYPHFGL-UHFFFAOYSA-N 0 0 243.184 2.754 10 30 BFEERN COC(=O)c1cc(C(F)(F)F)cc(F)c1C#N ZINC000575345027 386711452 /nfs/dbraw/zinc/71/14/52/386711452.db2.gz PSRVPTOBCCCGEY-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN COC(=O)c1cc(C(F)(F)F)c(F)cc1C#N ZINC000575344971 386712390 /nfs/dbraw/zinc/71/23/90/386712390.db2.gz KYGGABBSUWNFRI-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN COC(=O)Cc1cc(C)cc(C(F)F)c1C#N ZINC000575344234 386691518 /nfs/dbraw/zinc/69/15/18/386691518.db2.gz XCUAMKWXHCNBTL-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN Cc1cnc([C@H](C)N[C@H]2CCC[C@@H](C#N)C2)o1 ZINC000408446951 386816486 /nfs/dbraw/zinc/81/64/86/386816486.db2.gz SYJXCDYTLKIHTN-TUAOUCFPSA-N 0 0 233.315 2.716 10 30 BFEERN CCc1c(C#N)ccc(C(=O)OC)c1C(F)F ZINC000575389394 386952772 /nfs/dbraw/zinc/95/27/72/386952772.db2.gz FXVRXALDGTUSGN-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)Cc1ccc(CC)c(C#N)c1C ZINC000575389064 386953171 /nfs/dbraw/zinc/95/31/71/386953171.db2.gz UYRBEOMYANUTAW-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1ccc(C(F)F)c(C(=O)OC)c1C#N ZINC000575389423 386953311 /nfs/dbraw/zinc/95/33/11/386953311.db2.gz HHFVJFRUMQROOV-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)c1c(C#N)cc(F)cc1C(F)F ZINC000575389934 386954328 /nfs/dbraw/zinc/95/43/28/386954328.db2.gz VBPMSAFHBPBNKT-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)c1cc(F)cc(C#N)c1C(F)F ZINC000575390001 386954698 /nfs/dbraw/zinc/95/46/98/386954698.db2.gz ZJSFPGYJHUUBNA-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCc1cc(C(F)F)c(C#N)cc1C(=O)OC ZINC000575389770 386955297 /nfs/dbraw/zinc/95/52/97/386955297.db2.gz QZCFBICSAKHYQH-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN COC(=O)c1cc(C#N)cc(C(F)(F)F)c1C ZINC000575395308 386997065 /nfs/dbraw/zinc/99/70/65/386997065.db2.gz XLOXCYYDBFNHCD-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1cc(C#N)c(C(F)(F)F)cc1C ZINC000575395164 386997166 /nfs/dbraw/zinc/99/71/66/386997166.db2.gz PVNMACCOIOVURU-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN CCOc1cc(CC#N)c(OC(F)F)cc1F ZINC000575655200 387037815 /nfs/dbraw/zinc/03/78/15/387037815.db2.gz AFCUHCGDWIHOJW-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCc1cc(CC#N)c(O)cc1OC(F)F ZINC000575654845 387038432 /nfs/dbraw/zinc/03/84/32/387038432.db2.gz HERSRXUBSRTWMZ-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCc1c(OC(F)F)ccc(OC)c1CC#N ZINC000575655561 387040077 /nfs/dbraw/zinc/04/00/77/387040077.db2.gz ADYLRNMVIZNLKJ-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCc1ccc(CC#N)c(OC)c1OC(F)F ZINC000575655783 387040834 /nfs/dbraw/zinc/04/08/34/387040834.db2.gz BKUSDUKKMLEMDT-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1cc(OC(F)F)cc(C)c1C#N ZINC000575658274 387045802 /nfs/dbraw/zinc/04/58/02/387045802.db2.gz RVDLUVXVTLDSCJ-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCc1cc(OC(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575658630 387047781 /nfs/dbraw/zinc/04/77/81/387047781.db2.gz HELFCEGIXSNXOB-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN COc1c(F)cc(CC#N)cc1OC(F)F ZINC000575659945 387052163 /nfs/dbraw/zinc/05/21/63/387052163.db2.gz LXGVJGKVKPZJFB-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN COc1cc(F)cc(CC#N)c1OC(F)F ZINC000575660639 387052983 /nfs/dbraw/zinc/05/29/83/387052983.db2.gz VQLUSXKBKKRCIC-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN CCc1cc(C#N)c([N+](=O)[O-])cc1OC(F)F ZINC000575659724 387053270 /nfs/dbraw/zinc/05/32/70/387053270.db2.gz PFUSKXKSERVOAL-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN Cc1cc(F)c(CC#N)c(OC(F)F)c1 ZINC000575660898 387053890 /nfs/dbraw/zinc/05/38/90/387053890.db2.gz CNSUOBXYCVOTSJ-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN CCc1ccc(C#N)c([N+](=O)[O-])c1OC(F)F ZINC000575660382 387053943 /nfs/dbraw/zinc/05/39/43/387053943.db2.gz VETVPUHMZDIIQO-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN CCc1ccc([N+](=O)[O-])c(OC(F)F)c1C#N ZINC000575660517 387054481 /nfs/dbraw/zinc/05/44/81/387054481.db2.gz XPSZENBYFQROIP-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN Cc1c(C#N)c(F)ccc1OC(F)F ZINC000575661392 387059672 /nfs/dbraw/zinc/05/96/72/387059672.db2.gz OGMLGKCSTYNSFD-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN Cc1cc(OC(F)F)c(F)cc1C#N ZINC000575661343 387060367 /nfs/dbraw/zinc/06/03/67/387060367.db2.gz MAHUUPNLFVNWDI-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN Cc1cc(F)cc(C#N)c1OC(F)F ZINC000575661444 387061945 /nfs/dbraw/zinc/06/19/45/387061945.db2.gz PVFALOIZYUDRRY-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN C#Cc1cc(F)cc(OCC(F)(F)F)c1 ZINC000575411068 387012830 /nfs/dbraw/zinc/01/28/30/387012830.db2.gz XAFYKILFONFYHT-UHFFFAOYSA-N 0 0 218.149 2.748 10 30 BFEERN Cc1c(F)ccc(OC(F)F)c1C#N ZINC000575661600 387107683 /nfs/dbraw/zinc/10/76/83/387107683.db2.gz QDIXRXBNDMBXQI-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN C#CCCCCNc1cc(F)ccc1[N+](=O)[O-] ZINC000228723145 387121324 /nfs/dbraw/zinc/12/13/24/387121324.db2.gz PCWNBIFODSASAQ-UHFFFAOYSA-N 0 0 236.246 2.949 10 30 BFEERN Cc1c(F)c(OC(F)F)ccc1CC#N ZINC000575661961 387160061 /nfs/dbraw/zinc/16/00/61/387160061.db2.gz XHVIIALNBNDSTI-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN Cc1ccc(OC(F)F)c(F)c1C#N ZINC000575662024 387162522 /nfs/dbraw/zinc/16/25/22/387162522.db2.gz ZYWQRBZFSQRDIH-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN Cc1cc(OC(F)F)cc(C#N)c1F ZINC000575662021 387163132 /nfs/dbraw/zinc/16/31/32/387163132.db2.gz ZQDAJXQTBVIEQR-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN Cc1cccc([C@@]2(C#N)CCCOC2)c1 ZINC000536950949 387163170 /nfs/dbraw/zinc/16/31/70/387163170.db2.gz XEOAPWWEPXIDQP-CYBMUJFWSA-N 0 0 201.269 2.567 10 30 BFEERN C[C@H]1CCC[C@@]1(C#N)NC(=O)OC(C)(C)C ZINC000575495745 387310717 /nfs/dbraw/zinc/31/07/17/387310717.db2.gz AJWAFJFIKMFYOV-CABZTGNLSA-N 0 0 224.304 2.593 10 30 BFEERN N#CCc1cc(O)c(F)cc1C(F)F ZINC000575666333 387317085 /nfs/dbraw/zinc/31/70/85/387317085.db2.gz CNZVQQYFBCZCCA-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN Cc1cc(OC(F)F)c(CC#N)cc1[N+](=O)[O-] ZINC000575666504 387317801 /nfs/dbraw/zinc/31/78/01/387317801.db2.gz JJGDYFIYAXTOIX-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN N#CCc1c(O)cc(Br)cc1Cl ZINC000575675467 387357428 /nfs/dbraw/zinc/35/74/28/387357428.db2.gz KRBPZZJQFKUTFN-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN N#CCc1cc(O)cc(Br)c1Cl ZINC000575675933 387358319 /nfs/dbraw/zinc/35/83/19/387358319.db2.gz NYAAFMCPRRXTMA-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN COC(=O)c1cc2ccc(C#N)cc2s1 ZINC000035569488 387371925 /nfs/dbraw/zinc/37/19/25/387371925.db2.gz BXZLWSCTNQNCPB-UHFFFAOYSA-N 0 0 217.249 2.560 10 30 BFEERN Cc1cc(Br)c(F)cc1CC#N ZINC000575689564 387376719 /nfs/dbraw/zinc/37/67/19/387376719.db2.gz SCVHUXOSVIZKQV-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN Cc1cc(F)cc(CC#N)c1Br ZINC000575689446 387377248 /nfs/dbraw/zinc/37/72/48/387377248.db2.gz LGIAIKBUTLCAQQ-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN CCOc1cc(CC)c(F)c(CC#N)c1 ZINC000575694132 387382425 /nfs/dbraw/zinc/38/24/25/387382425.db2.gz CFZWCKXSBCTGQJ-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN N#CCc1cc(F)cc(C(F)F)c1O ZINC000575669079 387326396 /nfs/dbraw/zinc/32/63/96/387326396.db2.gz VLLDVBIBISLBGJ-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN CCOc1cc(O)cc(C(F)(F)F)c1C#N ZINC000575670008 387332873 /nfs/dbraw/zinc/33/28/73/387332873.db2.gz CNUWPQNDEKFGCF-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN C=C(Cl)CNc1ncc(Cl)cc1C ZINC000575496283 387332963 /nfs/dbraw/zinc/33/29/63/387332963.db2.gz LJSWLPTVXVHFHT-UHFFFAOYSA-N 0 0 217.099 2.630 10 30 BFEERN CCOc1cc(C(F)(F)F)cc(C#N)c1O ZINC000575670960 387336470 /nfs/dbraw/zinc/33/64/70/387336470.db2.gz QISXPXLJHZRTPB-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN C=C=CC(=O)c1ccsc1Br ZINC000575500860 387347842 /nfs/dbraw/zinc/34/78/42/387347842.db2.gz PHDVKLCNYGLRKL-UHFFFAOYSA-N 0 0 229.098 2.717 10 30 BFEERN N#CCc1cc(N)c(Br)c(Cl)c1 ZINC000575714837 387428311 /nfs/dbraw/zinc/42/83/11/387428311.db2.gz TTYIIMDMWYUUSE-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN CCc1cc(N)c(Br)c(CC#N)c1 ZINC000575714864 387428426 /nfs/dbraw/zinc/42/84/26/387428426.db2.gz UUSZLTYBHKKVTC-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN N#CCc1ccc(Cl)c(N)c1OC(F)F ZINC000575714830 387428715 /nfs/dbraw/zinc/42/87/15/387428715.db2.gz OBHJNNQXHGQWPJ-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN N#CCc1cc(OC(F)F)c(Cl)cc1N ZINC000575714724 387428776 /nfs/dbraw/zinc/42/87/76/387428776.db2.gz MKRUWBNZBZQPSZ-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN CCOc1ccc(C(F)(F)F)c(N)c1CC#N ZINC000575718774 387428966 /nfs/dbraw/zinc/42/89/66/387428966.db2.gz YRDRUBPSNIGUPF-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN N#CCc1cc(N)c(Cl)cc1Cl ZINC000575716702 387433225 /nfs/dbraw/zinc/43/32/25/387433225.db2.gz VKFWURGQVCUUJU-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN N#C[C@@]1(NCc2ccccc2)CCCSCC1 ZINC000575517772 387434081 /nfs/dbraw/zinc/43/40/81/387434081.db2.gz ITSVKHSNUJAGAL-CQSZACIVSA-N 0 0 246.379 2.956 10 30 BFEERN O=C(/C=C/Cl)c1cncc(Cl)c1 ZINC000575518072 387434353 /nfs/dbraw/zinc/43/43/53/387434353.db2.gz IBDDSBQXRWQWPA-OWOJBTEDSA-N 0 0 202.040 2.670 10 30 BFEERN CCc1cc(CC#N)c(N)cc1C(F)(F)F ZINC000575717871 387436912 /nfs/dbraw/zinc/43/69/12/387436912.db2.gz COOMJAPHNYUDBO-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN CCc1cc(N)cc(C(F)(F)F)c1CC#N ZINC000575717840 387436967 /nfs/dbraw/zinc/43/69/67/387436967.db2.gz BJXDYYXVLBKKHT-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN Cc1ccc(N)c(C(F)(F)F)c1CC#N ZINC000575719749 387439714 /nfs/dbraw/zinc/43/97/14/387439714.db2.gz IJUJVPWXHIOUIJ-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN Cc1cc(CC#N)cc(C(F)(F)F)c1N ZINC000575719779 387439906 /nfs/dbraw/zinc/43/99/06/387439906.db2.gz JWBWKOYFQLSOHK-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN Cc1c(CC#N)cc(N)cc1C(F)(F)F ZINC000575720387 387441790 /nfs/dbraw/zinc/44/17/90/387441790.db2.gz VGRFRUOSUNSOBZ-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN N#CCCNc1cccc(Br)c1F ZINC000575523492 387457607 /nfs/dbraw/zinc/45/76/07/387457607.db2.gz LMZWFIRQCZWWMZ-UHFFFAOYSA-N 0 0 243.079 2.914 10 30 BFEERN CCOc1cc(CC#N)c(CC)cc1F ZINC000575695317 387395967 /nfs/dbraw/zinc/39/59/67/387395967.db2.gz JKUZIHIRPWHFGD-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN CCOc1cc(F)c(CC)c(CC#N)c1 ZINC000575696346 387397045 /nfs/dbraw/zinc/39/70/45/387397045.db2.gz NUKSQBWXYGMBFB-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN CCOc1cc(F)cc(CC)c1CC#N ZINC000575696352 387397445 /nfs/dbraw/zinc/39/74/45/387397445.db2.gz NWSWUWVCTQEFCU-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN CCOc1cc([N+](=O)[O-])c(CC#N)cc1CC ZINC000575697153 387398455 /nfs/dbraw/zinc/39/84/55/387398455.db2.gz VNVULZUFFWHOGD-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN COc1c(F)cc(CC#N)cc1C(F)(F)F ZINC000575707701 387411758 /nfs/dbraw/zinc/41/17/58/387411758.db2.gz GFUSUTFKSPIRIZ-UHFFFAOYSA-N 0 0 233.164 2.919 10 30 BFEERN COC(=O)c1cc(Cl)cc(C#N)c1C(F)F ZINC000575713639 387416644 /nfs/dbraw/zinc/41/66/44/387416644.db2.gz WPBIXMVIXKWWHJ-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN CCc1c(N)cc(Br)cc1CC#N ZINC000575714064 387417973 /nfs/dbraw/zinc/41/79/73/387417973.db2.gz KEEZZCDCJZGRJL-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN N#CCc1c(Cl)cc(N)cc1Br ZINC000575714049 387419010 /nfs/dbraw/zinc/41/90/10/387419010.db2.gz JRWUUBGRAOIZFN-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN C=C(Cl)Cc1cc(F)cc(F)c1O ZINC000575574482 387752211 /nfs/dbraw/zinc/75/22/11/387752211.db2.gz VVCRFJSLCSXWCU-UHFFFAOYSA-N 0 0 204.603 2.965 10 30 BFEERN N#CCc1cc(OC(F)(F)F)ncc1Cl ZINC000238527972 387872953 /nfs/dbraw/zinc/87/29/53/387872953.db2.gz NBJRDCNVMOHTNF-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN CCOc1c(C#N)ccc(CC#N)c1CC ZINC000575642689 387845450 /nfs/dbraw/zinc/84/54/50/387845450.db2.gz GYEVQOFIFRSHQH-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN CCc1c(C#N)cc(CC#N)cc1OC(F)F ZINC000575641939 387845971 /nfs/dbraw/zinc/84/59/71/387845971.db2.gz ZLXMBIPBHAOHCW-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN CCOc1c(C#N)cc(CC#N)cc1C(F)F ZINC000575642212 387846356 /nfs/dbraw/zinc/84/63/56/387846356.db2.gz VDMAYWHOEDYRLP-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN Cc1ccc(F)cc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000062665692 387856293 /nfs/dbraw/zinc/85/62/93/387856293.db2.gz AYJFTZOCFRNWMT-GWCFXTLKSA-N 0 0 246.285 2.556 10 30 BFEERN COc1cc(C(F)F)cc(C#N)c1CC#N ZINC000575642748 387864362 /nfs/dbraw/zinc/86/43/62/387864362.db2.gz GBAMROFFKRDVFX-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN N#CCc1cc(F)cc(C#N)c1OC(F)(F)F ZINC000575650224 387889959 /nfs/dbraw/zinc/88/99/59/387889959.db2.gz XNZAQSIVBQURBU-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN Cc1cc(CC#N)cc(C#N)c1C(F)(F)F ZINC000575650541 387890256 /nfs/dbraw/zinc/89/02/56/387890256.db2.gz XOFQNCPVWINQCT-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN N#CCc1cc(OC(F)(F)F)c(C#N)cc1F ZINC000575648026 387891781 /nfs/dbraw/zinc/89/17/81/387891781.db2.gz PEVWPXDSJPVEOU-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN CCc1ccc(C#N)c(OC(F)F)c1F ZINC000575653782 387895735 /nfs/dbraw/zinc/89/57/35/387895735.db2.gz OLNAUTUGBVUMLP-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1c(C#N)ccc(F)c1OC(F)F ZINC000575653354 387896435 /nfs/dbraw/zinc/89/64/35/387896435.db2.gz FQJLRDOAOSGYPZ-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1c(C#N)c(F)ccc1OC(F)F ZINC000575653792 387896749 /nfs/dbraw/zinc/89/67/49/387896749.db2.gz OZVMFHMVUFPGBW-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1cc(C#N)c(OC(F)F)cc1F ZINC000575654125 387898081 /nfs/dbraw/zinc/89/80/81/387898081.db2.gz VKWBDCFJXWKCTI-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN Cc1cc(C)c(OCC#N)c(Br)c1 ZINC000011834425 177868209 /nfs/dbraw/zinc/86/82/09/177868209.db2.gz GHSQXGULQOXJPB-UHFFFAOYSA-N 0 0 240.100 2.968 10 30 BFEERN Cc1c(C#N)cc(CC#N)cc1C(F)(F)F ZINC000575645223 387879351 /nfs/dbraw/zinc/87/93/51/387879351.db2.gz DLTOJCSWWBOREG-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN N#CCc1c(F)c(C#N)ccc1C(F)(F)F ZINC000575647597 387883851 /nfs/dbraw/zinc/88/38/51/387883851.db2.gz LMVOQLVMDPOPPO-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN N#CCc1ccc(F)c(C#N)c1C(F)(F)F ZINC000575646946 387884067 /nfs/dbraw/zinc/88/40/67/387884067.db2.gz KNNKNYHZKINQJZ-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN CCc1cc([N+](=O)[O-])c(CC)cc1C#N ZINC000575652398 387900537 /nfs/dbraw/zinc/90/05/37/387900537.db2.gz QLDGGXKQKYIKJI-UHFFFAOYSA-N 0 0 204.229 2.591 10 30 BFEERN C=CCN1CCCC[C@H]1c1nccs1 ZINC000195360842 387909909 /nfs/dbraw/zinc/90/99/09/387909909.db2.gz YFYSCISVLKEBHI-JTQLQIEISA-N 0 0 208.330 2.856 10 30 BFEERN Cc1cc(C(C)(C)C)cc(C)c1C/C(N)=N/O ZINC000021953676 177827007 /nfs/dbraw/zinc/82/70/07/177827007.db2.gz SDBONIDDGYDCCN-UHFFFAOYSA-N 0 0 234.343 2.890 10 30 BFEERN COCc1nc(C#N)c(-c2ccccc2)s1 ZINC000238850827 388258025 /nfs/dbraw/zinc/25/80/25/388258025.db2.gz CWIYXRGUEUUVNM-UHFFFAOYSA-N 0 0 230.292 2.828 10 30 BFEERN C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000461962609 388263226 /nfs/dbraw/zinc/26/32/26/388263226.db2.gz DGPJXHLCRGBAMB-FDYHWXHSSA-N 0 0 249.358 2.557 10 30 BFEERN C[C@@H]1OCC[C@@H]1Nc1c(Cl)cccc1C#N ZINC000270826705 388368162 /nfs/dbraw/zinc/36/81/62/388368162.db2.gz ZWJISPBKMSVPGW-KWQFWETISA-N 0 0 236.702 2.801 10 30 BFEERN C=CCOc1ncc(Br)cc1C ZINC000163481640 388379930 /nfs/dbraw/zinc/37/99/30/388379930.db2.gz ZZTIJGDVNIBAGT-UHFFFAOYSA-N 0 0 228.089 2.717 10 30 BFEERN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@H](S)C2 ZINC000306716723 388386799 /nfs/dbraw/zinc/38/67/99/388386799.db2.gz GJHCXQVVHRGCDN-ILWJIGKKSA-N 0 0 243.372 2.847 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1cnccc1C#N ZINC000091729599 388396640 /nfs/dbraw/zinc/39/66/40/388396640.db2.gz RYAUKDMYHRQSED-GXSJLCMTSA-N 0 0 201.273 2.554 10 30 BFEERN C[C@@H]1OCC[C@H]1Nc1cc(Cl)ccc1C#N ZINC000134382979 388398738 /nfs/dbraw/zinc/39/87/38/388398738.db2.gz SYRMXYRVIFWIQV-GZMMTYOYSA-N 0 0 236.702 2.801 10 30 BFEERN N#Cc1ccnc(Sc2cccc(CO)c2)c1 ZINC000090728072 388485931 /nfs/dbraw/zinc/48/59/31/388485931.db2.gz NGVDCAJRRJNDQB-UHFFFAOYSA-N 0 0 242.303 2.597 10 30 BFEERN C[C@H](NCCC#N)c1cc(F)ccc1F ZINC000020199868 388526963 /nfs/dbraw/zinc/52/69/63/388526963.db2.gz YXFTUBOYBDCEPT-QMMMGPOBSA-N 0 0 210.227 2.529 10 30 BFEERN CCCc1noc(-c2cccc(C#N)c2)n1 ZINC000225262733 388598744 /nfs/dbraw/zinc/59/87/44/388598744.db2.gz LUISLIQFHMYXMM-UHFFFAOYSA-N 0 0 213.240 2.561 10 30 BFEERN CCSC[C@@H](C)N(C)c1cccc(C#N)n1 ZINC000301744443 388613772 /nfs/dbraw/zinc/61/37/72/388613772.db2.gz NEZDNVPGDYPJJV-SNVBAGLBSA-N 0 0 235.356 2.531 10 30 BFEERN CCc1cc(C#N)c(C(F)F)c(C(=O)OC)c1 ZINC000575389951 388569398 /nfs/dbraw/zinc/56/93/98/388569398.db2.gz WDLOPMLESWNHHQ-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCc1cc(C#N)c(C(F)F)cc1C(=O)OC ZINC000575389961 388569428 /nfs/dbraw/zinc/56/94/28/388569428.db2.gz WVPYPXNHIQUCRO-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN Cc1[nH]c(C)c2c1C(C)(C)C[C@]2(C)C=O ZINC000075606691 388575258 /nfs/dbraw/zinc/57/52/58/388575258.db2.gz FARDIONNCYLHIJ-CYBMUJFWSA-N 0 0 205.301 2.769 10 30 BFEERN N#CCc1cccc(N2CCCCC2)c1 ZINC000075601723 388575321 /nfs/dbraw/zinc/57/53/21/388575321.db2.gz JONDIDHJOLJCPS-UHFFFAOYSA-N 0 0 200.285 2.743 10 30 BFEERN Cc1ccc(C=Nc2ccc(C(N)=O)cc2)s1 ZINC000254347470 388676185 /nfs/dbraw/zinc/67/61/85/388676185.db2.gz DGUJWWRWYPQDMI-UHFFFAOYSA-N 0 0 244.319 2.906 10 30 BFEERN C[C@H](C#N)CNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248527976 388683442 /nfs/dbraw/zinc/68/34/42/388683442.db2.gz DGVBTJPTXPZASM-IJLUTSLNSA-N 0 0 236.359 2.725 10 30 BFEERN CC[C@H]1C[C@H]1Nc1cc(C(C)=O)ccc1C#N ZINC000302085030 388619578 /nfs/dbraw/zinc/61/95/78/388619578.db2.gz DNAAAKUFKPZVJW-GXFFZTMASA-N 0 0 228.295 2.971 10 30 BFEERN C[C@H]1CCC[C@@H]1C(=O)NCc1cccc(C#N)c1 ZINC000230055034 388632137 /nfs/dbraw/zinc/63/21/37/388632137.db2.gz SUWUCYHOIWIRQG-FZMZJTMJSA-N 0 0 242.322 2.611 10 30 BFEERN Cc1ccc(C=Nc2cccc(C(N)=O)c2)cc1 ZINC000254291064 388634889 /nfs/dbraw/zinc/63/48/89/388634889.db2.gz CGLKXANEVFUZGE-UHFFFAOYSA-N 0 0 238.290 2.845 10 30 BFEERN COC(=O)c1ccc(CC(C)C)c(C#N)c1 ZINC000091690811 388649030 /nfs/dbraw/zinc/64/90/30/388649030.db2.gz GNMSHHJOPAWPFS-UHFFFAOYSA-N 0 0 217.268 2.543 10 30 BFEERN COC(=O)Cc1c(C)c(C(F)F)ccc1C#N ZINC000575343678 388812079 /nfs/dbraw/zinc/81/20/79/388812079.db2.gz ADINJCQUVDSEMJ-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN N#Cc1ccc(N=Cc2ccc(O)c(O)c2)cc1 ZINC000254487963 388782430 /nfs/dbraw/zinc/78/24/30/388782430.db2.gz WGKIYMJXPWIUEU-UHFFFAOYSA-N 0 0 238.246 2.720 10 30 BFEERN O=C(/C=C/Cl)[C@H]1CCCSCC1 ZINC000575471769 388849086 /nfs/dbraw/zinc/84/90/86/388849086.db2.gz ISAYHUAGJWCOPI-WGAJWPLOSA-N 0 0 204.722 2.841 10 30 BFEERN CC(C)(C)OC(=O)N[C@]1(C#N)CCC1(C)C ZINC000575497444 388982061 /nfs/dbraw/zinc/98/20/61/388982061.db2.gz XVAHQROKXQUXRF-LBPRGKRZSA-N 0 0 224.304 2.593 10 30 BFEERN C[Si](C)(C)C#Cc1ccccc1[N+](=O)[O-] ZINC000169982918 533590075 /nfs/dbraw/zinc/59/00/75/533590075.db2.gz UPZZKECKTANWRG-UHFFFAOYSA-N 0 0 219.316 2.824 10 30 BFEERN Cc1cccc(C2(C#N)CCOCC2)c1 ZINC000037382569 322826098 /nfs/dbraw/zinc/82/60/98/322826098.db2.gz HGFXFFLFLZNQJI-UHFFFAOYSA-N 0 0 201.269 2.567 10 30 BFEERN C[C@H]1CCCN(c2ccccc2C#N)C1 ZINC000020076115 132329679 /nfs/dbraw/zinc/32/96/79/132329679.db2.gz GOJMBOQWZPJMQP-NSHDSACASA-N 0 0 200.285 2.795 10 30 BFEERN Cc1ccc2c(c1)CC[C@@H]1[C@@H](C)C(=O)C=CN21 ZINC000027209127 132333875 /nfs/dbraw/zinc/33/38/75/132333875.db2.gz WCPYNROBHCBVBH-DGCLKSJQSA-N 0 0 227.307 2.849 10 30 BFEERN CCCO[C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000042425012 132351654 /nfs/dbraw/zinc/35/16/54/132351654.db2.gz UJGVLIIAZHAWHR-CQSZACIVSA-N 0 0 244.338 2.954 10 30 BFEERN N#CCCCCN1C(=O)CCc2ccc(F)cc21 ZINC000049579469 132356272 /nfs/dbraw/zinc/35/62/72/132356272.db2.gz SHCSHPFISFNVCL-UHFFFAOYSA-N 0 0 246.285 2.799 10 30 BFEERN O=C[C@@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000054268650 132363947 /nfs/dbraw/zinc/36/39/47/132363947.db2.gz FGVXLWVCYAESFN-GFCCVEGCSA-N 0 0 240.306 2.650 10 30 BFEERN C=C(C)C(C)(C)C(=O)N1CC(C)(C)OC[C@@H]1C ZINC000335090815 133761470 /nfs/dbraw/zinc/76/14/70/133761470.db2.gz ICHCAWTWIWWMFL-NSHDSACASA-N 0 0 239.359 2.615 10 30 BFEERN C[C@H](CC1CC1)NC(=O)CCc1cnccn1 ZINC000330009051 133993515 /nfs/dbraw/zinc/99/35/15/133993515.db2.gz FXRSSRSSCRALSB-SNVBAGLBSA-N 0 0 233.315 2.554 10 30 BFEERN N#Cc1cnc(N2C[C@H]3CCC[C@H]32)c(Cl)c1 ZINC000336000080 134046612 /nfs/dbraw/zinc/04/66/12/134046612.db2.gz RRRLVZWOWTZDIR-MWLCHTKSSA-N 0 0 233.702 2.595 10 30 BFEERN COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cc1C#N ZINC000336113888 134087953 /nfs/dbraw/zinc/08/79/53/134087953.db2.gz DZAGJRANMMPRMX-GXTWGEPZSA-N 0 0 242.322 2.551 10 30 BFEERN N#CCC[C@@H](C#N)CN1CCC[C@@H]1c1ccco1 ZINC000116404333 134217542 /nfs/dbraw/zinc/21/75/42/134217542.db2.gz SWKOALBXSIYDBK-QWHCGFSZSA-N 0 0 243.310 2.860 10 30 BFEERN C#CCCCNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000172936731 134271237 /nfs/dbraw/zinc/27/12/37/134271237.db2.gz DOMZZGFXDZFTBV-KBPBESRZSA-N 0 0 233.355 2.732 10 30 BFEERN C=C(C)CN(C)C(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000180434326 134327171 /nfs/dbraw/zinc/32/71/71/134327171.db2.gz LTPHNMDTJKWFKT-SMDDNHRTSA-N 0 0 245.322 2.586 10 30 BFEERN C[C@@H](C#N)N1CCC(OCC2CCCC2)CC1 ZINC000181977945 134340837 /nfs/dbraw/zinc/34/08/37/134340837.db2.gz QDCAPTKJMNUZFQ-LBPRGKRZSA-N 0 0 236.359 2.570 10 30 BFEERN CC[C@H](C#N)NC(=O)[C@H]1C[C@@H]1c1ccccc1C ZINC000076985325 134409851 /nfs/dbraw/zinc/40/98/51/134409851.db2.gz UDCZKOAVKWULPF-BNOWGMLFSA-N 0 0 242.322 2.517 10 30 BFEERN CC[C@H]1C[C@H]1Nc1ccc(F)cc1C#N ZINC000230905980 134535352 /nfs/dbraw/zinc/53/53/52/134535352.db2.gz OBBYYYXSJOMDRM-QPUJVOFHSA-N 0 0 204.248 2.908 10 30 BFEERN CC[C@H](Nc1nccc(C#N)n1)c1cccs1 ZINC000231898707 134547182 /nfs/dbraw/zinc/54/71/82/134547182.db2.gz MKQDVXKZGWVDPG-JTQLQIEISA-N 0 0 244.323 2.973 10 30 BFEERN C=CCNc1nc2c(s1)C[C@@H](C)CC2 ZINC000306184914 134698290 /nfs/dbraw/zinc/69/82/90/134698290.db2.gz FUSHJNKGZMQUED-QMMMGPOBSA-N 0 0 208.330 2.866 10 30 BFEERN C=CCNc1nc2c(s1)C[C@H](C)CC2 ZINC000306184913 134698945 /nfs/dbraw/zinc/69/89/45/134698945.db2.gz FUSHJNKGZMQUED-MRVPVSSYSA-N 0 0 208.330 2.866 10 30 BFEERN Cc1cc(F)cc(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000134856927 134724158 /nfs/dbraw/zinc/72/41/58/134724158.db2.gz TVWGZMUIGSVGPJ-GWCFXTLKSA-N 0 0 246.285 2.556 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccc(F)cc1 ZINC000061889337 134804246 /nfs/dbraw/zinc/80/42/46/134804246.db2.gz MOUFCEAQDJCBAP-JOYOIKCWSA-N 0 0 247.273 2.639 10 30 BFEERN C=CCn1c(NC(C)(C)C)nnc1C1CC1 ZINC000291042078 135375302 /nfs/dbraw/zinc/37/53/02/135375302.db2.gz BAURTWMDMOXSBF-UHFFFAOYSA-N 0 0 220.320 2.552 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(Cl)cn1 ZINC000335285257 136002301 /nfs/dbraw/zinc/00/23/01/136002301.db2.gz SISSDTPUDMQIHB-SKDRFNHKSA-N 0 0 235.718 2.517 10 30 BFEERN N#CCc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]32)cc1 ZINC000335335409 136055295 /nfs/dbraw/zinc/05/52/95/136055295.db2.gz XLXQEIFJSZOLLJ-LSDHHAIUSA-N 0 0 226.323 2.737 10 30 BFEERN CCc1ccc(-c2cnc(C#N)c(C#N)n2)s1 ZINC000169376265 397811567 /nfs/dbraw/zinc/81/15/67/397811567.db2.gz MMGBQOLLZQJIEG-UHFFFAOYSA-N 0 0 240.291 2.511 10 30 BFEERN C[C@H](C=O)Oc1ccc(Cl)cc1Cl ZINC000164042557 397791383 /nfs/dbraw/zinc/79/13/83/397791383.db2.gz OUYMWWKOMCFREK-ZCFIWIBFSA-N 0 0 219.067 2.960 10 30 BFEERN N#CCc1nc(Cl)ccc1C(F)(F)F ZINC000306894013 397945381 /nfs/dbraw/zinc/94/53/81/397945381.db2.gz IUJVDKQGMOXDDP-UHFFFAOYSA-N 0 0 220.581 2.820 10 30 BFEERN C=C[C@H]1CC(=O)N1[Si](C)(C)C(C)(C)C ZINC000196874552 397923098 /nfs/dbraw/zinc/92/30/98/397923098.db2.gz SYIIKHCRDAGGQD-VIFPVBQESA-N 0 0 211.381 2.779 10 30 BFEERN Cc1cc(C)c(C)c(CC(=O)CC#N)c1 ZINC000584594449 398077159 /nfs/dbraw/zinc/07/71/59/398077159.db2.gz FQDURDFGAFKWJH-UHFFFAOYSA-N 0 0 201.269 2.637 10 30 BFEERN C=CC[S@@](=O)c1ccccc1C(F)(F)F ZINC000584614051 398078017 /nfs/dbraw/zinc/07/80/17/398078017.db2.gz YLVIEDWLRPMJIO-OAHLLOKOSA-N 0 0 234.242 2.999 10 30 BFEERN CCOc1ccccc1CN[C@H]1CCC[C@H]1C#N ZINC000061891062 398107520 /nfs/dbraw/zinc/10/75/20/398107520.db2.gz ZMTGZNHCPROFFW-JSGCOSHPSA-N 0 0 244.338 2.867 10 30 BFEERN Cc1cccc(NC(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000061889342 398108224 /nfs/dbraw/zinc/10/82/24/398108224.db2.gz QLFSZDIFLRIMCL-AAEUAGOBSA-N 0 0 243.310 2.809 10 30 BFEERN CC(C)N[C@@H](C#N)c1ccc(Cl)cc1 ZINC000020174124 167128927 /nfs/dbraw/zinc/12/89/27/167128927.db2.gz APTKAUYLMSOHCY-NSHDSACASA-N 0 0 208.692 2.903 10 30 BFEERN Cc1cc(Br)ccc1N(C)CC#N ZINC000049829494 177723058 /nfs/dbraw/zinc/72/30/58/177723058.db2.gz VAKPNGFNRMNDAS-UHFFFAOYSA-N 0 0 239.116 2.717 10 30 BFEERN C#CCCCCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000179748980 166122682 /nfs/dbraw/zinc/12/26/82/166122682.db2.gz SOALYHOTIAEMBD-LBPRGKRZSA-N 0 0 233.311 2.959 10 30 BFEERN N#Cc1cncc(C#Cc2cc(F)cc(F)c2)c1 ZINC000116294681 409668387 /nfs/dbraw/zinc/66/83/87/409668387.db2.gz AYQQEPDAGFUWSE-UHFFFAOYSA-N 0 0 240.212 2.631 10 30 BFEERN C#CC(C)(C)CNC(=O)OCc1ccccc1 ZINC000095774742 166108596 /nfs/dbraw/zinc/10/85/96/166108596.db2.gz DPDKDNHPUAVLFA-UHFFFAOYSA-N 0 0 231.295 2.572 10 30 BFEERN C(=N/N1CCCCC1)\c1c[nH]c2ccccc12 ZINC000001459873 166229382 /nfs/dbraw/zinc/22/93/82/166229382.db2.gz XTTSCQWOTGMLIT-LFIBNONCSA-N 0 0 227.311 2.988 10 30 BFEERN C=CCN(C(=O)CNc1ccccc1)C(C)C ZINC000037817774 166308902 /nfs/dbraw/zinc/30/89/02/166308902.db2.gz WPDFWCHVYLXHMW-UHFFFAOYSA-N 0 0 232.327 2.522 10 30 BFEERN C=CCN1c2cc(OC)ccc2N=C(C)CC1=O ZINC000100898390 166350576 /nfs/dbraw/zinc/35/05/76/166350576.db2.gz OHFZNSRDNZWRCI-UHFFFAOYSA-N 0 0 244.294 2.710 10 30 BFEERN C=CCNC(=O)[C@H](C)Nc1ccccc1CCC ZINC000049556478 166388938 /nfs/dbraw/zinc/38/89/38/166388938.db2.gz BEFCKCDNHXUNQU-LBPRGKRZSA-N 0 0 246.354 2.742 10 30 BFEERN C=CCN[C@]1(C#N)CCCc2ccccc21 ZINC000051960171 166408405 /nfs/dbraw/zinc/40/84/05/166408405.db2.gz HFCSSJSNXRQASK-AWEZNQCLSA-N 0 0 212.296 2.517 10 30 BFEERN C=CCN[C@]1(C#N)C[C@@H](C)CC(C)(C)C1 ZINC000051959877 166408602 /nfs/dbraw/zinc/40/86/02/166408602.db2.gz NHZKEIGJSGCVGV-WCQYABFASA-N 0 0 206.333 2.871 10 30 BFEERN C=CCOc1c(N)cc(F)cc1Br ZINC000052856015 166422114 /nfs/dbraw/zinc/42/21/14/166422114.db2.gz XTEXXTLQDVCGGT-UHFFFAOYSA-N 0 0 246.079 2.735 10 30 BFEERN CCN(CC)C(=S)Oc1ccc(C#N)cc1 ZINC000001041774 169762434 /nfs/dbraw/zinc/76/24/34/169762434.db2.gz LJUNMNDMMNAJOY-UHFFFAOYSA-N 0 0 234.324 2.564 10 30 BFEERN CC(C)(C)C(=O)[C@H]1O[C@@H]1c1ccccc1 ZINC000001705103 166537059 /nfs/dbraw/zinc/53/70/59/166537059.db2.gz AOBSWBDDACZYAY-MNOVXSKESA-N 0 0 204.269 2.742 10 30 BFEERN CC(C)CCN[C@H](C#N)Cc1ccccc1 ZINC000071519868 166866370 /nfs/dbraw/zinc/86/63/70/166866370.db2.gz JUJJZRFDQFNCGG-AWEZNQCLSA-N 0 0 216.328 2.757 10 30 BFEERN CC(C)CN[C@@]1(C#N)CCCc2ccccc21 ZINC000037939257 167011592 /nfs/dbraw/zinc/01/15/92/167011592.db2.gz HAZVEBUJVATLML-OAHLLOKOSA-N 0 0 228.339 2.987 10 30 BFEERN CC(C)CN[C@]1(C#N)CCCc2ccccc21 ZINC000037939256 167015640 /nfs/dbraw/zinc/01/56/40/167015640.db2.gz HAZVEBUJVATLML-HNNXBMFYSA-N 0 0 228.339 2.987 10 30 BFEERN CC(C)Oc1ccc([C@H](C#N)NC2CC2)cc1 ZINC000020176517 167301557 /nfs/dbraw/zinc/30/15/57/167301557.db2.gz DRAYVDDEEWPYGS-AWEZNQCLSA-N 0 0 230.311 2.790 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)N[C@@H](C)c1ccsc1 ZINC000061366980 167340658 /nfs/dbraw/zinc/34/06/58/167340658.db2.gz VLHKSNXAELYPFP-GXSJLCMTSA-N 0 0 236.340 2.721 10 30 BFEERN CC(C)[C@@H](C)N(C)C(=O)[C@@H](C#N)c1ccccc1 ZINC000061614552 167363357 /nfs/dbraw/zinc/36/33/57/167363357.db2.gz PXXZMOTUFKATGG-OCCSQVGLSA-N 0 0 244.338 2.797 10 30 BFEERN CC(C)[C@@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591581 167385940 /nfs/dbraw/zinc/38/59/40/167385940.db2.gz FOYLOPIMLZNOFO-SECBINFHSA-N 0 0 233.271 2.923 10 30 BFEERN CC(C)c1ccc([C@@H](C#N)N2CCOCC2)cc1 ZINC000019934454 167611745 /nfs/dbraw/zinc/61/17/45/167611745.db2.gz MUGKRJWZCILOFM-OAHLLOKOSA-N 0 0 244.338 2.707 10 30 BFEERN CC[C@@H]1C[C@H]1Nc1ccc(F)cc1C#N ZINC000230905976 411181987 /nfs/dbraw/zinc/18/19/87/411181987.db2.gz OBBYYYXSJOMDRM-PRHODGIISA-N 0 0 204.248 2.908 10 30 BFEERN CCC(N=NC(N)=S)c1cccc(Cl)c1 ZINC000013474211 167819196 /nfs/dbraw/zinc/81/91/96/167819196.db2.gz MKKISLULTIRJOZ-UKTHLTGXSA-N 0 0 241.747 2.699 10 30 BFEERN CC1(Nc2cc(C#N)ccn2)CCCC1 ZINC000042187750 168063772 /nfs/dbraw/zinc/06/37/72/168063772.db2.gz BFDIRCQPXJRVPR-UHFFFAOYSA-N 0 0 201.273 2.698 10 30 BFEERN CC1=C(OCC(C)C)S[C@@H](C)C1=O ZINC000100243214 168088322 /nfs/dbraw/zinc/08/83/22/168088322.db2.gz YVKUOBCYAUOJCO-QMMMGPOBSA-N 0 0 200.303 2.595 10 30 BFEERN CC1=CC(=O)CC(C)(C)[C@H]1CC[C@H](C)O ZINC000005766763 168091258 /nfs/dbraw/zinc/09/12/58/168091258.db2.gz UEEJDIUOCUCVHN-JQWIXIFHSA-N 0 0 210.317 2.709 10 30 in-vitro,metabolite BFEERN CC1=C[C@H]2[C@@H](CC1=O)[C@H](C)C[C@@H](O)[C@H]2C(C)C ZINC000014918468 168131962 /nfs/dbraw/zinc/13/19/62/168131962.db2.gz KLDSZMWMGCWFKH-ONAWRNRTSA-N 0 0 236.355 2.811 10 30 biogenic BFEERN CCC(=O)[C@H](C#N)c1cc(Cl)ccc1OC ZINC000036931328 168251953 /nfs/dbraw/zinc/25/19/53/168251953.db2.gz ZLINMCUSQOBXIQ-SNVBAGLBSA-N 0 0 237.686 2.935 10 30 BFEERN CCC(C)(C)Nc1nc(C)ccc1C#N ZINC000043398854 168302699 /nfs/dbraw/zinc/30/26/99/168302699.db2.gz NCVFTCKAJRAWOA-UHFFFAOYSA-N 0 0 203.289 2.862 10 30 BFEERN CCC(C)(C)Oc1ccc(C#N)cc1N ZINC000035675032 168304777 /nfs/dbraw/zinc/30/47/77/168304777.db2.gz GZWRBMUVQWBTOR-UHFFFAOYSA-N 0 0 204.273 2.708 10 30 BFEERN CCN[C@@H](C#N)c1ccc(OC(C)C)cc1 ZINC000020176496 170138382 /nfs/dbraw/zinc/13/83/82/170138382.db2.gz LSLBOHSMTXVVCP-ZDUSSCGKSA-N 0 0 218.300 2.648 10 30 BFEERN CCOC(=O)C#Cc1ccc(C(C)(C)C)cc1 ZINC000021987098 170183595 /nfs/dbraw/zinc/18/35/95/170183595.db2.gz SDPWUYVOUYSPMU-UHFFFAOYSA-N 0 0 230.307 2.899 10 30 BFEERN CCOC(=O)CS[C@@H](CC#N)c1ccccc1 ZINC000055022797 170230089 /nfs/dbraw/zinc/23/00/89/170230089.db2.gz JDDBXXVYCCAVIZ-LBPRGKRZSA-N 0 0 249.335 2.938 10 30 BFEERN CCOC(=O)[C@@H](C#N)C1CCC(C)CC1 ZINC000034632903 170244643 /nfs/dbraw/zinc/24/46/43/170244643.db2.gz BZKYZLYFVNGQJO-ILDUYXDCSA-N 0 0 209.289 2.516 10 30 BFEERN CCOC(=O)C1=C(O)C(=Cc2ccccc2)CC1 ZINC000000258276 170257293 /nfs/dbraw/zinc/25/72/93/170257293.db2.gz KHALZHFCWRDVCU-KXXVWKPMSA-N 0 0 244.290 2.612 10 30 BFEERN CCOc1ccc(CCC#N)cc1OC ZINC000062169932 170541503 /nfs/dbraw/zinc/54/15/03/170541503.db2.gz QYQCXYYTEISBKQ-UHFFFAOYSA-N 0 0 205.257 2.550 10 30 BFEERN CCOc1ccccc1C(=O)C[C@@H](C)C#N ZINC000043368279 170590049 /nfs/dbraw/zinc/59/00/49/170590049.db2.gz FIMDEFUJIRUUSS-SNVBAGLBSA-N 0 0 217.268 2.818 10 30 BFEERN CCSCCC(=O)Nc1ccccc1C#N ZINC000019870211 170625677 /nfs/dbraw/zinc/62/56/77/170625677.db2.gz DFSKQZADEFYVPX-UHFFFAOYSA-N 0 0 234.324 2.640 10 30 BFEERN CC[C@@H](C#N)Oc1cccc2cccnc21 ZINC000043557182 170659769 /nfs/dbraw/zinc/65/97/69/170659769.db2.gz JHHAKAZDBLPVHX-NSHDSACASA-N 0 0 212.252 2.916 10 30 BFEERN CC[C@@H](C)CN(C)c1ccc(C#N)cc1N ZINC000035674699 170699916 /nfs/dbraw/zinc/69/99/16/170699916.db2.gz RZFPAIMGHQSDCA-SNVBAGLBSA-N 0 0 217.316 2.623 10 30 BFEERN CC[C@@H](Nc1cc(C#N)ccn1)C(C)C ZINC000044386463 170914842 /nfs/dbraw/zinc/91/48/42/170914842.db2.gz QKTICSHTTQOWMS-LLVKDONJSA-N 0 0 203.289 2.800 10 30 BFEERN CC[C@@H]1CCCC[C@@H]1Oc1c(C#N)c(C)nn1C ZINC000104312465 170968698 /nfs/dbraw/zinc/96/86/98/170968698.db2.gz QIFOKJQVXCPKDQ-YPMHNXCESA-N 0 0 247.342 2.948 10 30 BFEERN CC[C@@H]1CC[C@H](C#N)[C@H](N(C)C[C@@H](C)C#N)C1 ZINC000042455353 171044848 /nfs/dbraw/zinc/04/48/48/171044848.db2.gz PSTQVHBSHYZBKJ-REWJHTLYSA-N 0 0 233.359 2.796 10 30 BFEERN CC[C@@H]1S/C(=N\c2cccc(C)c2)NC1=O ZINC000011638032 171153150 /nfs/dbraw/zinc/15/31/50/171153150.db2.gz RMTXUNMKFXWDLW-JTQLQIEISA-N 0 0 234.324 2.624 10 30 BFEERN CC[C@@](C)(C#N)NC(=O)C1(c2ccccc2)CC1 ZINC000061618009 171162141 /nfs/dbraw/zinc/16/21/41/171162141.db2.gz KMNKKTQDRHRPBG-AWEZNQCLSA-N 0 0 242.322 2.527 10 30 BFEERN CC[C@H](C)C(=O)Nc1ccc(/C(C)=N/O)cc1 ZINC000019476997 171255006 /nfs/dbraw/zinc/25/50/06/171255006.db2.gz HMMWYNIGPNQMBD-JLBUCRLOSA-N 0 0 234.299 2.869 10 30 BFEERN CC[C@H](C)CNc1ccc(C#N)cc1N ZINC000054466890 171288293 /nfs/dbraw/zinc/28/82/93/171288293.db2.gz CWAUUWQUGCVQNY-VIFPVBQESA-N 0 0 203.289 2.598 10 30 BFEERN CC[C@H](C)N(CC)c1nc(C)ccc1C#N ZINC000043399223 171312384 /nfs/dbraw/zinc/31/23/84/171312384.db2.gz ARXUZCYNDYGMAC-NSHDSACASA-N 0 0 217.316 2.887 10 30 BFEERN CC[C@H](C)N(CC)c1ccnc(C#N)c1 ZINC000061814941 171312516 /nfs/dbraw/zinc/31/25/16/171312516.db2.gz SPJLJNRILDMUPY-JTQLQIEISA-N 0 0 203.289 2.578 10 30 BFEERN CC[C@H](C)OCc1ccc(C#CCCO)cc1 ZINC000049621993 171355253 /nfs/dbraw/zinc/35/52/53/171355253.db2.gz GSAGWXWBENMBON-ZDUSSCGKSA-N 0 0 232.323 2.736 10 30 BFEERN CN(C(=O)OC(C)(C)C)[C@@H](C#N)c1ccco1 ZINC000049828052 172325171 /nfs/dbraw/zinc/32/51/71/172325171.db2.gz DKFYGZUUDCHUJZ-VIFPVBQESA-N 0 0 236.271 2.711 10 30 BFEERN CNc1c(C#N)cnc2c(F)c(Cl)ccc21 ZINC000050842892 173470550 /nfs/dbraw/zinc/47/05/50/173470550.db2.gz PEQROQDASYRFNH-UHFFFAOYSA-N 0 0 235.649 2.941 10 30 BFEERN CNc1nc(-c2ccc(F)cc2F)ccc1C#N ZINC000050871332 173484858 /nfs/dbraw/zinc/48/48/58/173484858.db2.gz ATLHIEWOTGICSB-UHFFFAOYSA-N 0 0 245.232 2.940 10 30 BFEERN CNc1nc(-c2cccc(OC)c2)ccc1C#N ZINC000049829611 173485046 /nfs/dbraw/zinc/48/50/46/173485046.db2.gz RCIYAMFSCZVDRB-UHFFFAOYSA-N 0 0 239.278 2.671 10 30 BFEERN COCCN[C@@H](C#N)c1ccc2ccccc2c1 ZINC000053256434 174337379 /nfs/dbraw/zinc/33/73/79/174337379.db2.gz ORCFGMLWZRIRLF-HNNXBMFYSA-N 0 0 240.306 2.640 10 30 BFEERN COc1ccc(-c2ccc(C#N)c(O)c2)cc1 ZINC000065341347 175032504 /nfs/dbraw/zinc/03/25/04/175032504.db2.gz REUYKZVXOVSOFG-UHFFFAOYSA-N 0 0 225.247 2.939 10 30 BFEERN COc1ccc(/C=N/c2ccccn2)cc1 ZINC000001603119 175049117 /nfs/dbraw/zinc/04/91/17/175049117.db2.gz FOVBJISLENJTLW-XNTDXEJSSA-N 0 0 212.252 2.841 10 30 BFEERN COc1ccc(/N=C/c2ccc(O)cc2O)cc1 ZINC000000292116 175049803 /nfs/dbraw/zinc/04/98/03/175049803.db2.gz CTXDEVRXZDQMHD-OQLLNIDSSA-N 0 0 243.262 2.857 10 30 BFEERN COc1ccc(C)cc1[C@@H](C)NC[C@@H](C)C#N ZINC000048580667 175079354 /nfs/dbraw/zinc/07/93/54/175079354.db2.gz CAUAWMORXZZLHR-NWDGAFQWSA-N 0 0 232.327 2.814 10 30 BFEERN COc1ccc(C)cc1[C@H](C)NC[C@@H](C)C#N ZINC000048580670 175080847 /nfs/dbraw/zinc/08/08/47/175080847.db2.gz CAUAWMORXZZLHR-RYUDHWBXSA-N 0 0 232.327 2.814 10 30 BFEERN COc1ccc(CN[C@@H](C#N)CC(C)C)cc1 ZINC000057520964 175108802 /nfs/dbraw/zinc/10/88/02/175108802.db2.gz IBRUNBBNGQWZAD-CYBMUJFWSA-N 0 0 232.327 2.723 10 30 BFEERN COc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1F ZINC000061890935 175112038 /nfs/dbraw/zinc/11/20/38/175112038.db2.gz QDDOGXAOUHWAOS-YPMHNXCESA-N 0 0 248.301 2.616 10 30 BFEERN COc1ccc(Cl)c(NC[C@@H](C)C#N)c1 ZINC000043317508 175118558 /nfs/dbraw/zinc/11/85/58/175118558.db2.gz BBPGJBLZPHUWPF-QMMMGPOBSA-N 0 0 224.691 2.920 10 30 BFEERN COc1ccc(Cl)cc1[C@H](C#N)C(C)=O ZINC000036931311 175122995 /nfs/dbraw/zinc/12/29/95/175122995.db2.gz LLYNNIFRVALTSM-SNVBAGLBSA-N 0 0 223.659 2.545 10 30 BFEERN COc1ccc(NC(C)=O)cc1CCCCC#N ZINC000098128262 175148720 /nfs/dbraw/zinc/14/87/20/175148720.db2.gz FHIIBHPHBWPKDU-UHFFFAOYSA-N 0 0 246.310 2.890 10 30 BFEERN COc1ccc(N[C@@H](C)CC#N)c(C)c1 ZINC000061567671 175153408 /nfs/dbraw/zinc/15/34/08/175153408.db2.gz OFXDKAMDZKORSJ-JTQLQIEISA-N 0 0 204.273 2.718 10 30 BFEERN COc1ccc(N[C@H](C)CC#N)cc1F ZINC000037871408 175155016 /nfs/dbraw/zinc/15/50/16/175155016.db2.gz YWEKBAAOLOHYPG-MRVPVSSYSA-N 0 0 208.236 2.548 10 30 BFEERN COc1ccc(N[C@]2(C#N)CCSC2)cc1 ZINC000037936468 175156017 /nfs/dbraw/zinc/15/60/17/175156017.db2.gz AYEFRQNODFGLKC-LBPRGKRZSA-N 0 0 234.324 2.506 10 30 BFEERN COc1ccc2c(c1)CCC[C@]2(C#N)NC1CC1 ZINC000036924786 175209074 /nfs/dbraw/zinc/20/90/74/175209074.db2.gz BRBHFDXSJODOOA-OAHLLOKOSA-N 0 0 242.322 2.502 10 30 BFEERN COc1cccc(/C=C\C(=O)c2ccc[nH]2)c1 ZINC000033671852 175240426 /nfs/dbraw/zinc/24/04/26/175240426.db2.gz AFIWQAOOUPKHRP-FPLPWBNLSA-N 0 0 227.263 2.919 10 30 BFEERN COc1cccc(N(C)CC2(C=O)CCCC2)c1 ZINC000051178232 175275050 /nfs/dbraw/zinc/27/50/50/175275050.db2.gz VYFUNQZMSBGUEY-UHFFFAOYSA-N 0 0 247.338 2.891 10 30 BFEERN COc1ccccc1-n1nc(C)c(C#N)c1Cl ZINC000104261584 175312736 /nfs/dbraw/zinc/31/27/36/175312736.db2.gz UUKZAZZNXHOSKA-UHFFFAOYSA-N 0 0 247.685 2.714 10 30 BFEERN COc1ccccc1N[C@@H](C#N)c1cccnc1 ZINC000037938738 175338695 /nfs/dbraw/zinc/33/86/95/175338695.db2.gz BTZSYZMPIVNKCF-ZDUSSCGKSA-N 0 0 239.278 2.767 10 30 BFEERN COc1ccccc1OCc1cccnc1C#N ZINC000061664763 175341942 /nfs/dbraw/zinc/34/19/42/175341942.db2.gz FIAGDNRKBRRGLB-UHFFFAOYSA-N 0 0 240.262 2.541 10 30 BFEERN C[C@@H](CC#N)Nc1cc(F)c(F)c(F)c1 ZINC000061096206 175639447 /nfs/dbraw/zinc/63/94/47/175639447.db2.gz JEPSRLHQKJPRBP-LURJTMIESA-N 0 0 214.190 2.818 10 30 BFEERN C[C@@H](NCCC#N)c1ccc(Cl)s1 ZINC000035286327 175871327 /nfs/dbraw/zinc/87/13/27/175871327.db2.gz RGTVXSVXNIKEAJ-SSDOTTSWSA-N 0 0 214.721 2.966 10 30 BFEERN C[C@@H](SCCC#N)C(=O)OCc1ccccc1 ZINC000082693023 176008481 /nfs/dbraw/zinc/00/84/81/176008481.db2.gz FVRPXPLLWLBUGM-LLVKDONJSA-N 0 0 249.335 2.765 10 30 BFEERN C[C@@H]1CC=CC[C@@H]1COc1ncccc1C#N ZINC000034958433 176059702 /nfs/dbraw/zinc/05/97/02/176059702.db2.gz XROWHNJKWLBYAS-DGCLKSJQSA-N 0 0 228.295 2.934 10 30 BFEERN C[C@@H]1CCC[C@H](Nc2ncc(N)cc2C#N)[C@@H]1C ZINC000037758892 176145986 /nfs/dbraw/zinc/14/59/86/176145986.db2.gz PCTWKYXQJQCXID-BREBYQMCSA-N 0 0 244.342 2.772 10 30 BFEERN C[C@@H]1CC[C@@H](C#N)[C@H](N(C)Cc2cscn2)C1 ZINC000042865370 176194269 /nfs/dbraw/zinc/19/42/69/176194269.db2.gz OBHNVRKIAWFXPU-NTZNESFSSA-N 0 0 249.383 2.903 10 30 BFEERN C[C@@H]1CN([C@@H](CC#N)c2ccccc2)[C@H](C)CO1 ZINC000055020157 176315359 /nfs/dbraw/zinc/31/53/59/176315359.db2.gz XLQOTTXFBVOLAE-NFAWXSAZSA-N 0 0 244.338 2.751 10 30 BFEERN C[C@H](C#N)Nc1ccc(N2CCCC2)cc1 ZINC000057497471 176555417 /nfs/dbraw/zinc/55/54/17/176555417.db2.gz XBNJURFXDSBKHP-LLVKDONJSA-N 0 0 215.300 2.611 10 30 BFEERN C[C@@H](C#N)CN[C@@H](C)c1cc(F)ccc1F ZINC000054179406 176856412 /nfs/dbraw/zinc/85/64/12/176856412.db2.gz IZIMKTHCRGOGBB-IUCAKERBSA-N 0 0 224.254 2.775 10 30 BFEERN C[C@H](Nc1ccc(F)cc1C#N)[C@H]1CCCO1 ZINC000112636012 176933454 /nfs/dbraw/zinc/93/34/54/176933454.db2.gz GMWBPHDVEHZDMI-TVQRCGJNSA-N 0 0 234.274 2.677 10 30 BFEERN C[C@H](S)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095089577 177025522 /nfs/dbraw/zinc/02/55/22/177025522.db2.gz YBGIFYRKKYZAQH-VHSXEESVSA-N 0 0 245.388 2.952 10 30 BFEERN C[C@@H]1CCC[C@H](C)N1/N=C/c1ccc(O)c(O)c1 ZINC000012433196 177115002 /nfs/dbraw/zinc/11/50/02/177115002.db2.gz YSLIHMORGMIAII-NVDORQAPSA-N 0 0 248.326 2.695 10 30 BFEERN C[C@@H]1C[C@@H](C)CCN1C(=O)C1(C#N)CCCC1 ZINC000051733755 177145435 /nfs/dbraw/zinc/14/54/35/177145435.db2.gz OCFYDDDTLUFUCB-NWDGAFQWSA-N 0 0 234.343 2.717 10 30 BFEERN C[C@H]1Cc2sc(N)c(C#N)c2[C@@H](C)C1 ZINC000082857239 177318823 /nfs/dbraw/zinc/31/88/23/177318823.db2.gz CLDWILBRYDRQFF-RQJHMYQMSA-N 0 0 206.314 2.888 10 30 BFEERN C[C@H]1C[C@@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000078835720 177350589 /nfs/dbraw/zinc/35/05/89/177350589.db2.gz HBRXHGKCQCRZTI-XPUUQOCRSA-N 0 0 241.216 2.792 10 30 BFEERN C[C@@H]1C[C@@H](CNc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000281945755 177363291 /nfs/dbraw/zinc/36/32/91/177363291.db2.gz SOMOHCVNELLBMI-PTEHBNRSSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@]1(C(=O)/C=C\c2ccc(Cl)cc2)CO1 ZINC000005898782 177452776 /nfs/dbraw/zinc/45/27/76/177452776.db2.gz FTICWRZAOPJWHT-DJFZKKHWSA-N 0 0 222.671 2.711 10 30 BFEERN C[C@]1(O)CC(=O)C=C(c2ccc(Cl)cc2)C1 ZINC000040174936 177471830 /nfs/dbraw/zinc/47/18/30/177471830.db2.gz PJCJZCJQUYPMDV-CYBMUJFWSA-N 0 0 236.698 2.837 10 30 BFEERN C[Si](C)(C)C#CCCO[C@H]1CCCCO1 ZINC000195919872 177497752 /nfs/dbraw/zinc/49/77/52/177497752.db2.gz XMDXJAUDCZGXHY-LBPRGKRZSA-N 0 0 226.392 2.801 10 30 BFEERN Cc1[nH]c2ccccc2c1CC(C#N)C#N ZINC000039105809 177514263 /nfs/dbraw/zinc/51/42/63/177514263.db2.gz XGVZZSNWVBKGTA-UHFFFAOYSA-N 0 0 209.252 2.682 10 30 BFEERN Cc1c(/N=C/c2ccc[nH]2)cccc1[N+](=O)[O-] ZINC000000273977 177554779 /nfs/dbraw/zinc/55/47/79/177554779.db2.gz LGTQLKKWWDPYKP-RIYZIHGNSA-N 0 0 229.239 2.982 10 30 BFEERN Cc1c(C)n([C@@H](C)c2cccnc2)c(N)c1C#N ZINC000035692705 177555543 /nfs/dbraw/zinc/55/55/43/177555543.db2.gz KOJVHXNWGPJOGK-NSHDSACASA-N 0 0 240.310 2.563 10 30 BFEERN Cc1c(C)n([C@@H](C)c2ccco2)c(N)c1C#N ZINC000035739873 177556112 /nfs/dbraw/zinc/55/61/12/177556112.db2.gz HFRMPNKFEDOABW-JTQLQIEISA-N 0 0 229.283 2.761 10 30 BFEERN Cc1c(Cl)cnc(N[C@H]2C[C@@H]2C)c1C#N ZINC000273294018 177603389 /nfs/dbraw/zinc/60/33/89/177603389.db2.gz GAEIRFLFJDXXPO-WKEGUHRASA-N 0 0 221.691 2.735 10 30 BFEERN N#Cc1ccc([C@H]2CCC(=O)C2)cc1F ZINC000238534863 487667183 /nfs/dbraw/zinc/66/71/83/487667183.db2.gz HGHQRGMYHPWZDM-QMMMGPOBSA-N 0 0 203.216 2.534 10 30 BFEERN CC(C)OCC(C)(C)Nc1ncccc1C#N ZINC000396387000 262802973 /nfs/dbraw/zinc/80/29/73/262802973.db2.gz RHLHSERDDNLYOQ-UHFFFAOYSA-N 0 0 233.315 2.569 10 30 BFEERN CC(C)OC(=O)N(C)c1cccc(C#N)c1 ZINC000061955206 269620614 /nfs/dbraw/zinc/62/06/14/269620614.db2.gz XZKBIANYNQWPQH-UHFFFAOYSA-N 0 0 218.256 2.539 10 30 BFEERN N#C[C@]1(c2cccc(Cl)c2)CCCOC1 ZINC000536949404 323950461 /nfs/dbraw/zinc/95/04/61/323950461.db2.gz ASDKYANBJYLLHM-GFCCVEGCSA-N 0 0 221.687 2.912 10 30 BFEERN Cc1ccc([C@]2(C#N)CCCOC2)cc1 ZINC000536950183 323952855 /nfs/dbraw/zinc/95/28/55/323952855.db2.gz LKBKVJMZKGFLJP-ZDUSSCGKSA-N 0 0 201.269 2.567 10 30 BFEERN Cc1ccccc1[C@]1(C#N)CCCOC1 ZINC000536950684 323954367 /nfs/dbraw/zinc/95/43/67/323954367.db2.gz RDJJHRIEGAOIOO-ZDUSSCGKSA-N 0 0 201.269 2.567 10 30 BFEERN C=C(C)CNC(=O)NC1CCC(CC)CC1 ZINC000156202657 326221758 /nfs/dbraw/zinc/22/17/58/326221758.db2.gz PCTSXZMIVVCGCW-UHFFFAOYSA-N 0 0 224.348 2.831 10 30 BFEERN CN[C@H](C#N)[C@H](C)SCc1ccc(Cl)o1 ZINC000757165001 582546192 /nfs/dbraw/zinc/54/61/92/582546192.db2.gz KFXKMLDBHAHZFV-IONNQARKSA-N 0 0 244.747 2.666 10 30 BFEERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](S)C1(C)C ZINC000757166884 582548321 /nfs/dbraw/zinc/54/83/21/582548321.db2.gz XCGPZULJCOUZSW-JGVFFNPUSA-N 0 0 231.361 2.608 10 30 BFEERN C=CCNc1nc(-c2cccc(C)c2)no1 ZINC000057354067 518962955 /nfs/dbraw/zinc/96/29/55/518962955.db2.gz YRKJOFFICYALRG-UHFFFAOYSA-N 0 0 215.256 2.643 10 30 BFEERN C=C[C@@H]1C=C[C@@H]2[C@H]3C[C@@H]([C@@H]12)[C@](C)(C(=O)OC)C3 ZINC000253592338 519295453 /nfs/dbraw/zinc/29/54/53/519295453.db2.gz SKTHWNMNKDLRMY-YZDFOLFKSA-N 0 0 232.323 2.810 10 30 BFEERN C=C1CCN(C(=O)[C@H]2CCC[C@H]2C)CC1 ZINC000335994141 534455862 /nfs/dbraw/zinc/45/58/62/534455862.db2.gz TUDDCMQLZLTDBF-NEPJUHHUSA-N 0 0 207.317 2.601 10 30 BFEERN C=CCC(CC=C)C(=O)N[C@H](C)C(C)C ZINC000121848210 534568582 /nfs/dbraw/zinc/56/85/82/534568582.db2.gz VGCMWLASGWHSTK-LLVKDONJSA-N 0 0 209.333 2.916 10 30 BFEERN CC(C)(C)CCC(=O)N[C@H]1CCC[C@H]1C#N ZINC000303251504 534578305 /nfs/dbraw/zinc/57/83/05/534578305.db2.gz MKDFWMBNQYXWED-QWRGUYRKSA-N 0 0 222.332 2.621 10 30 BFEERN C=CCCC(=O)N(C)Cc1ccc(Cl)nc1 ZINC000102467385 534603054 /nfs/dbraw/zinc/60/30/54/534603054.db2.gz ISUYPBNXRLHOMM-UHFFFAOYSA-N 0 0 238.718 2.660 10 30 BFEERN C=CCCCC(=O)N1CCO[C@@H]2CCCC[C@H]21 ZINC000175370938 534650579 /nfs/dbraw/zinc/65/05/79/534650579.db2.gz VVCMZBWBGFGSGY-CHWSQXEVSA-N 0 0 237.343 2.513 10 30 BFEERN C=C[C@H](CC(=O)N[C@H]1C[C@@H]1C)c1ccccc1 ZINC000128262010 534675826 /nfs/dbraw/zinc/67/58/26/534675826.db2.gz NLOFOTXRCFTQED-SCRDCRAPSA-N 0 0 229.323 2.871 10 30 BFEERN CC[C@@]1([C@H](NC(=O)OC(C)(C)C)C(C)C)CO1 ZINC000072207922 523746972 /nfs/dbraw/zinc/74/69/72/523746972.db2.gz HNZVFHDMNUWSHG-MFKMUULPSA-N 0 0 243.347 2.715 10 30 BFEERN CC1(C)C[C@H]1NC(=O)c1c[nH]c2ncccc12 ZINC000329089379 534900233 /nfs/dbraw/zinc/90/02/33/534900233.db2.gz WCWKDDLDHQAWHY-SNVBAGLBSA-N 0 0 229.283 2.666 10 30 BFEERN C[C@@H](C#N)NCc1cccc(C(F)(F)F)c1 ZINC000043514171 526239376 /nfs/dbraw/zinc/23/93/76/526239376.db2.gz CNEJOEUXIVSYFT-QMMMGPOBSA-N 0 0 228.217 2.707 10 30 BFEERN Fc1ccccc1C[C@@H]1COCC[C@@H]1S ZINC000095077133 526413276 /nfs/dbraw/zinc/41/32/76/526413276.db2.gz BKIVIBJEVXQYQX-PWSUYJOCSA-N 0 0 226.316 2.703 10 30 BFEERN CC(C)[C@H]1CCO[C@H]1C(=O)Nc1cccnc1 ZINC000329713941 535203342 /nfs/dbraw/zinc/20/33/42/535203342.db2.gz SFOAZPMJMLPYBS-VXGBXAGGSA-N 0 0 234.299 2.731 10 30 BFEERN CCOc1ccccc1CN[C@H]1CCC[C@@H]1C#N ZINC000061891060 535512436 /nfs/dbraw/zinc/51/24/36/535512436.db2.gz ZMTGZNHCPROFFW-OCCSQVGLSA-N 0 0 244.338 2.867 10 30 BFEERN CC[C@H](CC#N)N1CCCc2c(N)cccc21 ZINC000037906243 536049112 /nfs/dbraw/zinc/04/91/12/536049112.db2.gz ZGXBEVGCDATJDX-LLVKDONJSA-N 0 0 229.327 2.714 10 30 BFEERN C=C(C)/C=C\c1cc(/C=C/CO)ccc1O ZINC000095914523 560055670 /nfs/dbraw/zinc/05/56/70/560055670.db2.gz XUVVFAZLBVTNQR-BZDQXIRASA-N 0 0 216.280 2.987 10 30 biogenic,in-vitro BFEERN CC1=CC(=O)CC(C)(C)[C@]12CC[C@@H](C)O2 ZINC000014765842 571722689 /nfs/dbraw/zinc/72/26/89/571722689.db2.gz AXQMCYYCOKLZPP-MFKMUULPSA-N 0 0 208.301 2.869 10 30 endogenous,in-man BFEERN C=C[C@H](C)NC(=S)Nc1cccc(F)c1 ZINC000757131885 582506144 /nfs/dbraw/zinc/50/61/44/582506144.db2.gz AMTKTDQKMOWVQB-QMMMGPOBSA-N 0 0 224.304 2.687 10 30 BFEERN C=C[C@@H](C)N1C(=S)N=NC1CCCC ZINC000757131740 582506316 /nfs/dbraw/zinc/50/63/16/582506316.db2.gz PEGROHDAKMDNHJ-MRVPVSSYSA-N 0 0 211.334 2.656 10 30 BFEERN C=CCONCc1ccc(Cl)c(C)c1 ZINC000757153233 582538393 /nfs/dbraw/zinc/53/83/93/582538393.db2.gz OACDFJREHWFZDI-UHFFFAOYSA-N 0 0 211.692 2.856 10 30 BFEERN Cc1cc(CN(C)[C@H](C)C=O)ccc1Cl ZINC000757159125 582540914 /nfs/dbraw/zinc/54/09/14/582540914.db2.gz ONOULPAOUOUQPM-SNVBAGLBSA-N 0 0 225.719 2.668 10 30 BFEERN Oc1ccc(Br)cc1CS ZINC000757163369 582545050 /nfs/dbraw/zinc/54/50/50/582545050.db2.gz ORMZSNVYKWUUSV-UHFFFAOYSA-N 0 0 219.103 2.585 10 30 BFEERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1S ZINC000757163926 582545634 /nfs/dbraw/zinc/54/56/34/582545634.db2.gz UWIZLXIADAWCJY-BDAKNGLRSA-N 0 0 231.361 2.610 10 30 BFEERN CC(C)(C)OC(=O)N[C@H]1C[C@H](S)C1(C)C ZINC000757166896 582547905 /nfs/dbraw/zinc/54/79/05/582547905.db2.gz XCGPZULJCOUZSW-YUMQZZPRSA-N 0 0 231.361 2.608 10 30 BFEERN CCOC(=O)C[C@]1([C@@H]2CO2)CC[C@@H](C)[C@@H](C)C1 ZINC000675052556 583300603 /nfs/dbraw/zinc/30/06/03/583300603.db2.gz GIWJZXOWWKNWBU-UHXUPSOCSA-N 0 0 240.343 2.781 10 30 BFEERN CC1(C)CCCN(C(=O)N[C@H]2CCC[C@@H]2C#N)C1 ZINC000335329817 583613012 /nfs/dbraw/zinc/61/30/12/583613012.db2.gz MCRYOPXCTDJITL-NEPJUHHUSA-N 0 0 249.358 2.510 10 30 BFEERN CCCCCCCOC(=O)[C@@H](C)COC ZINC000103552098 585335897 /nfs/dbraw/zinc/33/58/97/585335897.db2.gz CMXMJBIRJALCSC-NSHDSACASA-N 0 0 216.321 2.783 10 30 BFEERN CC[C@H](C)OC(=O)[C@H](C)Oc1ccccc1C#N ZINC000103667022 586288228 /nfs/dbraw/zinc/28/82/28/586288228.db2.gz DMUGUHMLMYCLTB-QWRGUYRKSA-N 0 0 247.294 2.667 10 30 BFEERN C[C@@H](S)CCCCNC(=O)OC(C)(C)C ZINC000757159772 586430695 /nfs/dbraw/zinc/43/06/95/586430695.db2.gz HNYSHEBJFXVSNB-SECBINFHSA-N 0 0 233.377 3.000 10 30 BFEERN C=CCc1ccccc1OC(=O)[C@H]1CC[C@H](C)O1 ZINC000121426073 587809772 /nfs/dbraw/zinc/80/97/72/587809772.db2.gz IDQKQWKQULWNLL-SMDDNHRTSA-N 0 0 246.306 2.888 10 30 BFEERN C=C(Cl)CN(C)CCc1ccccc1OC ZINC000104962813 588073483 /nfs/dbraw/zinc/07/34/83/588073483.db2.gz RFAQHQVYHYVRRI-UHFFFAOYSA-N 0 0 239.746 2.922 10 30 BFEERN C=CCOC(=O)[C@@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000109153594 588524553 /nfs/dbraw/zinc/52/45/53/588524553.db2.gz MCOUFZAQVGXFCD-VHSXEESVSA-N 0 0 238.233 2.798 10 30 BFEERN CCCCCCCn1ccc([C@@H](C)O)n1 ZINC000128939292 591191285 /nfs/dbraw/zinc/19/12/85/591191285.db2.gz UWXWRKHXXTVEQL-LLVKDONJSA-N 0 0 210.321 2.907 10 30 BFEERN CC(=O)[C@H]1CCCN(c2ccc(C#N)cc2C)C1 ZINC000104412809 634481711 /nfs/dbraw/zinc/48/17/11/634481711.db2.gz MXNFSUFXGLJVTE-AWEZNQCLSA-N 0 0 242.322 2.672 10 30 BFEERN C[C@H](C#N)NC(=O)C=C1CCC(C)(C)CC1 ZINC000161924849 632456954 /nfs/dbraw/zinc/45/69/54/632456954.db2.gz OTXPMSYHDXEFMO-SNVBAGLBSA-N 0 0 220.316 2.541 10 30 BFEERN C=C(Cl)COc1cccc([C@@H](C)O)c1 ZINC000035627894 633838075 /nfs/dbraw/zinc/83/80/75/633838075.db2.gz FMQHJZFXVSYRLE-SECBINFHSA-N 0 0 212.676 2.871 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)[C@@H](C#N)c1ccccn1 ZINC000230169099 641031715 /nfs/dbraw/zinc/03/17/15/641031715.db2.gz NEILRJNZIWLIJB-UTUOFQBUSA-N 0 0 228.295 2.694 10 30 BFEERN COc1cc(CS)ccc1OC(C)C ZINC000084909845 641368244 /nfs/dbraw/zinc/36/82/44/641368244.db2.gz CFPNSJXYKJTRNY-UHFFFAOYSA-N 0 0 212.314 2.912 10 30 BFEERN C=CC[C@H](Cc1ccc(Cl)c(C)c1)NN ZINC000757152377 643343668 /nfs/dbraw/zinc/34/36/68/643343668.db2.gz KWFPBYKSQXXHOJ-LLVKDONJSA-N 0 0 224.735 2.599 10 30 BFEERN C=CC[C@H](C)n1nc(CC)c(N)c1CC ZINC000715022727 643388137 /nfs/dbraw/zinc/38/81/37/643388137.db2.gz KFFVRQGCDBPFEH-VIFPVBQESA-N 0 0 207.321 2.727 10 30 BFEERN C=CCC1(C(=O)O[C@H](C)[C@H]2CCOC2)CCC1 ZINC000192243793 644138954 /nfs/dbraw/zinc/13/89/54/644138954.db2.gz QYEPTXWMWGNBHN-NEPJUHHUSA-N 0 0 238.327 2.701 10 30 BFEERN C=CCC1(C(=O)O[C@H](C)[C@@H]2CCOC2)CCC1 ZINC000192243786 644139724 /nfs/dbraw/zinc/13/97/24/644139724.db2.gz QYEPTXWMWGNBHN-VXGBXAGGSA-N 0 0 238.327 2.701 10 30 BFEERN SCc1cc(Cl)c2c(c1)OCCO2 ZINC000086895237 644265904 /nfs/dbraw/zinc/26/59/04/644265904.db2.gz BGJROYQMDHAFNN-UHFFFAOYSA-N 0 0 216.689 2.541 10 30 BFEERN COc1cc([C@@H](C)S)cc(OC)c1OC ZINC000086895225 644473102 /nfs/dbraw/zinc/47/31/02/644473102.db2.gz DBPPVJLGMCDURL-SSDOTTSWSA-N 0 0 228.313 2.703 10 30 BFEERN CCN(CCC#N)C(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000103209974 644545258 /nfs/dbraw/zinc/54/52/58/644545258.db2.gz XNYROOSVOSDSBP-UONOGXRCSA-N 0 0 242.322 2.552 10 30 BFEERN CSC1CC(Nc2ccc(C#N)cc2)C1 ZINC000706797374 712155992 /nfs/dbraw/zinc/15/59/92/712155992.db2.gz WQSPZPAPNUHBHH-UHFFFAOYSA-N 0 0 218.325 2.864 10 30 BFEERN CSC1CC(Nc2snc(C)c2C#N)C1 ZINC000708251503 712184778 /nfs/dbraw/zinc/18/47/78/712184778.db2.gz YBZOANHBJSTGBU-UHFFFAOYSA-N 0 0 239.369 2.629 10 30 BFEERN N#Cc1sc(N2C[C@H]3CCC[C@@H]32)nc1Cl ZINC000706881776 712158385 /nfs/dbraw/zinc/15/83/85/712158385.db2.gz JUUZIROGAVBSAH-RQJHMYQMSA-N 0 0 239.731 2.657 10 30 BFEERN N#Cc1sc(N2C[C@H]3CCC[C@H]32)nc1Cl ZINC000706881773 712158496 /nfs/dbraw/zinc/15/84/96/712158496.db2.gz JUUZIROGAVBSAH-RNFRBKRXSA-N 0 0 239.731 2.657 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1scnc1Cl ZINC000713504757 712463869 /nfs/dbraw/zinc/46/38/69/712463869.db2.gz STGTVARJVJRUOS-HTQZYQBOSA-N 0 0 241.747 2.578 10 30 BFEERN C=C(C)COC(=O)/C=C\c1ncccc1C ZINC000588455257 958581858 /nfs/dbraw/zinc/58/18/58/958581858.db2.gz UODVJCVDPZIBFX-SREVYHEPSA-N 0 0 217.268 2.523 10 30 BFEERN C#C[C@H]([NH2+]Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000705275727 977271934 /nfs/dbraw/zinc/27/19/34/977271934.db2.gz HMXIBZWSYOFOGQ-ZDUSSCGKSA-N 0 0 245.322 2.522 10 30 BFEERN Cc1nn(C)c(Nc2cc(C)cc(C)c2)c1C#N ZINC000104319185 177910835 /nfs/dbraw/zinc/91/08/35/177910835.db2.gz LTSTZMWPEUZXBD-UHFFFAOYSA-N 0 0 240.310 2.961 10 30 BFEERN C[C@@H](C#CC(=O)OC(C)(C)C)C1CCC1 ZINC000685953412 538898160 /nfs/dbraw/zinc/89/81/60/538898160.db2.gz MHGZQJAHEWGROX-JTQLQIEISA-N 0 0 208.301 2.768 10 30 BFEERN CC(C)(C)OC(=O)C#C[C@H]1CCCCS1 ZINC000685954009 538898977 /nfs/dbraw/zinc/89/89/77/538898977.db2.gz RIGHFWIKPLPVSQ-SNVBAGLBSA-N 0 0 226.341 2.617 10 30 BFEERN Cc1cc(C)cc([C@@H](C#N)NC2CC2)c1 ZINC000043394570 177915133 /nfs/dbraw/zinc/91/51/33/177915133.db2.gz UTUBZGWPMGRAAA-CYBMUJFWSA-N 0 0 200.285 2.620 10 30 BFEERN C[C@H]1CC[C@H](C#CC(=O)OC(C)(C)C)C1 ZINC000685952789 538897036 /nfs/dbraw/zinc/89/70/36/538897036.db2.gz CZLHDBVSGDRPMC-WDEREUQCSA-N 0 0 208.301 2.768 10 30 BFEERN CC(=O)N1CCCC[C@@H]1c1ccc(C#N)cc1 ZINC000616615370 398174638 /nfs/dbraw/zinc/17/46/38/398174638.db2.gz XFWWQHZVZZYJNY-CQSZACIVSA-N 0 0 228.295 2.632 10 30 BFEERN Cc1cc(N(C)c2ccc(C#N)cc2)ncc1N ZINC000077383924 178101546 /nfs/dbraw/zinc/10/15/46/178101546.db2.gz GFYSKCPSCQYOQY-UHFFFAOYSA-N 0 0 238.294 2.612 10 30 BFEERN Cc1cc(N2CC[C@H](C)[C@@H]2C)c(C#N)c(C)n1 ZINC000160768625 178119484 /nfs/dbraw/zinc/11/94/84/178119484.db2.gz QKIJCDNDFDFFPV-CABZTGNLSA-N 0 0 229.327 2.805 10 30 BFEERN C#CC[C@H](NN)c1cccc(Cl)c1Cl ZINC000126652089 398219592 /nfs/dbraw/zinc/21/95/92/398219592.db2.gz AAEXPKKGKSXLAE-VIFPVBQESA-N 0 0 229.110 2.521 10 30 BFEERN Cc1cc(NCC#N)ccc1Br ZINC000020045440 178154649 /nfs/dbraw/zinc/15/46/49/178154649.db2.gz IQRVXYIKCJJWHC-UHFFFAOYSA-N 0 0 225.089 2.693 10 30 BFEERN COC(=O)[C@@]1(C)OC1(CC(C)C)CC(C)C ZINC000163902978 538930998 /nfs/dbraw/zinc/93/09/98/538930998.db2.gz VLJHGWDOGFLQIC-GFCCVEGCSA-N 0 0 228.332 2.779 10 30 BFEERN CCOC(=O)[C@@H]1OC1(CC(C)C)CC(C)C ZINC000163902848 538931097 /nfs/dbraw/zinc/93/10/97/538931097.db2.gz LFYQIHVMTOKBPB-NSHDSACASA-N 0 0 228.332 2.779 10 30 BFEERN Cc1cc(OCC=O)c(C)cc1Br ZINC000019776837 178209577 /nfs/dbraw/zinc/20/95/77/178209577.db2.gz XXDVZVBLUGLOLW-UHFFFAOYSA-N 0 0 243.100 2.644 10 30 BFEERN Cc1cc([C@@H](C#N)NCC2CC2)cc(C)c1O ZINC000037946946 178219988 /nfs/dbraw/zinc/21/99/88/178219988.db2.gz XWRFJMKSRGXKJN-CYBMUJFWSA-N 0 0 230.311 2.573 10 30 BFEERN Cc1cc([C@@H](C)N[C@@H](C)C#N)c(C)s1 ZINC000043515487 178228244 /nfs/dbraw/zinc/22/82/44/178228244.db2.gz TXCYTWXWPBWOPB-IONNQARKSA-N 0 0 208.330 2.928 10 30 BFEERN Cc1cc([C@H](C#N)NCC2CC2)cc(C)c1O ZINC000037946947 178244574 /nfs/dbraw/zinc/24/45/74/178244574.db2.gz XWRFJMKSRGXKJN-ZDUSSCGKSA-N 0 0 230.311 2.573 10 30 BFEERN Cc1cc2nc(CC#N)sc2cc1C ZINC000045236410 178302420 /nfs/dbraw/zinc/30/24/20/178302420.db2.gz YADHBCNZBUFLNC-UHFFFAOYSA-N 0 0 202.282 2.979 10 30 BFEERN Cc1ccc(C#N)c(N(CCC#N)C(C)C)c1 ZINC000051578502 178363284 /nfs/dbraw/zinc/36/32/84/178363284.db2.gz RKQOYUZAKKCWOI-UHFFFAOYSA-N 0 0 227.311 2.995 10 30 BFEERN O=C(C#Cc1ccccc1)COc1ccccc1 ZINC000394541906 346847643 /nfs/dbraw/zinc/84/76/43/346847643.db2.gz UHSRNNAMSPEJEV-UHFFFAOYSA-N 0 0 236.270 2.686 10 30 BFEERN C=C(C)CC(=O)C1(NC(=O)OC(C)(C)C)CC1 ZINC000405720593 538960823 /nfs/dbraw/zinc/96/08/23/538960823.db2.gz PBRCVVNEYGWJTD-UHFFFAOYSA-N 0 0 239.315 2.579 10 30 BFEERN COc1ccccc1CCCC[C@H]1CO1 ZINC000215952110 342714866 /nfs/dbraw/zinc/71/48/66/342714866.db2.gz WINWIKTUXNSUKX-LBPRGKRZSA-N 0 0 206.285 2.807 10 30 BFEERN C=CCC[C@@H](CO)COCc1ccccc1 ZINC000144787166 342749993 /nfs/dbraw/zinc/74/99/93/342749993.db2.gz IHYXXNLPJJPJPN-AWEZNQCLSA-N 0 0 220.312 2.778 10 30 BFEERN Br/C(=C\c1ccccc1)[C@H]1CO1 ZINC000138087389 342754542 /nfs/dbraw/zinc/75/45/42/342754542.db2.gz RMWBTXXIWROKFZ-ABRRARGCSA-N 0 0 225.085 2.821 10 30 BFEERN Cc1[nH]cc(C#N)c1-c1ccc(C#N)cc1 ZINC000147000719 342773359 /nfs/dbraw/zinc/77/33/59/342773359.db2.gz PTPPDVBMWWBINH-UHFFFAOYSA-N 0 0 207.236 2.733 10 30 BFEERN N#C[C@]1(Cc2ccccc2)CCCCC1=O ZINC000083776594 398285444 /nfs/dbraw/zinc/28/54/44/398285444.db2.gz LKWLBDZDUDCALL-CQSZACIVSA-N 0 0 213.280 2.882 10 30 BFEERN COC(=O)/C=C/CCCCCCCC#N ZINC000149200790 342793249 /nfs/dbraw/zinc/79/32/49/342793249.db2.gz JBFGYDBQRXGQGE-CSKARUKUSA-N 0 0 209.289 2.970 10 30 BFEERN CC(=O)Nc1ccc(N=Cc2cccnc2)cc1 ZINC000254310596 398295311 /nfs/dbraw/zinc/29/53/11/398295311.db2.gz CYMCCVUVJVOYDP-UHFFFAOYSA-N 0 0 239.278 2.791 10 30 BFEERN Cc1ccc(CN[C@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000602608181 349630875 /nfs/dbraw/zinc/63/08/75/349630875.db2.gz QKQFIUFLVWLTKP-RISCZKNCSA-N 0 0 232.302 2.916 10 30 BFEERN C=CCCC(=O)c1cccc(F)c1C#N ZINC000308825731 342872822 /nfs/dbraw/zinc/87/28/22/342872822.db2.gz RIJGNZSLHZEGSK-UHFFFAOYSA-N 0 0 203.216 2.846 10 30 BFEERN Cc1ccc(CN[C@H]2CCC[C@H]2C#N)c(F)c1 ZINC000602608180 349631143 /nfs/dbraw/zinc/63/11/43/349631143.db2.gz QKQFIUFLVWLTKP-FZMZJTMJSA-N 0 0 232.302 2.916 10 30 BFEERN Cc1ccc(N=Cc2cccc(O)c2O)c(O)c1 ZINC000254448198 398315446 /nfs/dbraw/zinc/31/54/46/398315446.db2.gz GPIFSVXVHNSZHR-UHFFFAOYSA-N 0 0 243.262 2.862 10 30 BFEERN Cc1cnccc1CN[C@@H]1CCCC[C@@H]1C#N ZINC000228668938 398325679 /nfs/dbraw/zinc/32/56/79/398325679.db2.gz FSRXOWLQQZJMEX-TZMCWYRMSA-N 0 0 229.327 2.562 10 30 BFEERN CC(C)=CC(=O)c1ccc(OC(C)=O)cc1 ZINC000309227400 342915605 /nfs/dbraw/zinc/91/56/05/342915605.db2.gz URSXWAJVQHDKPV-UHFFFAOYSA-N 0 0 218.252 2.761 10 30 BFEERN Cc1ccc(C)c(-c2cnn(CC#N)c2)c1 ZINC000049814980 178461467 /nfs/dbraw/zinc/46/14/67/178461467.db2.gz QNZDSROLIZBCPL-UHFFFAOYSA-N 0 0 211.268 2.691 10 30 BFEERN N#CCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000309239593 342920367 /nfs/dbraw/zinc/92/03/67/342920367.db2.gz KYLRBLYZVPWAQQ-UHFFFAOYSA-N 0 0 230.145 2.680 10 30 BFEERN N#Cc1c(F)cccc1C(=O)C(F)(F)Cl ZINC000308775950 346911834 /nfs/dbraw/zinc/91/18/34/346911834.db2.gz ACCBUAGWTZGFKJ-UHFFFAOYSA-N 0 0 233.576 2.712 10 30 BFEERN C=C(C)C(=O)OCCSc1ccccc1 ZINC000118796690 343056608 /nfs/dbraw/zinc/05/66/08/343056608.db2.gz UUINCVLPONNTGX-UHFFFAOYSA-N 0 0 222.309 2.898 10 30 BFEERN C[C@H](C#N)CC(=O)c1cc(F)ccc1F ZINC000043368225 343057921 /nfs/dbraw/zinc/05/79/21/343057921.db2.gz CVGYAGQTMQKEMT-ZETCQYMHSA-N 0 0 209.195 2.697 10 30 BFEERN O/N=C1\CCc2cc(Br)ccc2C1 ZINC000082491706 362034472 /nfs/dbraw/zinc/03/44/72/362034472.db2.gz TVPCMVSVSMSCIP-ZRDIBKRKSA-N 0 0 240.100 2.768 10 30 BFEERN CC(=O)c1ccc(OCCCCC#N)cc1O ZINC000013650526 343100017 /nfs/dbraw/zinc/10/00/17/343100017.db2.gz IHDASJCTEJSZAW-UHFFFAOYSA-N 0 0 233.267 2.667 10 30 BFEERN CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C#N ZINC000259852255 343139117 /nfs/dbraw/zinc/13/91/17/343139117.db2.gz BIGZWKWQKYFLQI-WDEREUQCSA-N 0 0 238.331 2.793 10 30 BFEERN CC[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1C#N ZINC000259852251 343139209 /nfs/dbraw/zinc/13/92/09/343139209.db2.gz BIGZWKWQKYFLQI-GHMZBOCLSA-N 0 0 238.331 2.793 10 30 BFEERN C=CCCNC(=O)c1ccc(Cl)cc1 ZINC000168933575 343210573 /nfs/dbraw/zinc/21/05/73/343210573.db2.gz SQMIBXCPZCCFSZ-UHFFFAOYSA-N 0 0 209.676 2.646 10 30 BFEERN COc1ccc(NN=Cc2ccncc2)cc1 ZINC000169885707 343213538 /nfs/dbraw/zinc/21/35/38/343213538.db2.gz FDSJZLAUFKFXBT-XNTDXEJSSA-N 0 0 227.267 2.536 10 30 BFEERN C#CCOc1ccc(OC(F)(F)F)cc1 ZINC000135111030 343193029 /nfs/dbraw/zinc/19/30/29/343193029.db2.gz JKUJWNOFLDYGKR-UHFFFAOYSA-N 0 0 216.158 2.597 10 30 BFEERN Cc1ccccc1C#CI ZINC000238461913 343257070 /nfs/dbraw/zinc/25/70/70/343257070.db2.gz UICSUPGJPMSUGX-UHFFFAOYSA-N 0 0 242.059 2.739 10 30 BFEERN N#CCc1ccc(Cl)c(OC(F)(F)F)n1 ZINC000238545802 343257886 /nfs/dbraw/zinc/25/78/86/343257886.db2.gz NKDPFDLQBLGZPU-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN C#Cc1cccc(CO[C@H]2CCCCO2)c1 ZINC000166130709 343305342 /nfs/dbraw/zinc/30/53/42/343305342.db2.gz WHZHARKNHHDNPQ-AWEZNQCLSA-N 0 0 216.280 2.711 10 30 BFEERN COc1cc(C(F)(F)F)c(OC)cc1CC#N ZINC000038526376 343376035 /nfs/dbraw/zinc/37/60/35/343376035.db2.gz GRFDADUNQHAWBC-UHFFFAOYSA-N 0 0 245.200 2.789 10 30 BFEERN CCOc1ccc(/C=N\NC(C)(C)C)cc1 ZINC000039098877 343383285 /nfs/dbraw/zinc/38/32/85/343383285.db2.gz CRCYBJFGTRYDQF-UVTDQMKNSA-N 0 0 220.316 2.807 10 30 BFEERN C[C@@H](C=O)c1cccc(Br)c1 ZINC000039295754 343388461 /nfs/dbraw/zinc/38/84/61/343388461.db2.gz TXYJSKCUTXIIGJ-ZETCQYMHSA-N 0 0 213.074 2.752 10 30 BFEERN CCC1CCC(Nc2ncncc2C#N)CC1 ZINC000310232866 343399997 /nfs/dbraw/zinc/39/99/97/343399997.db2.gz QKZJCVNECXUEQB-UHFFFAOYSA-N 0 0 230.315 2.729 10 30 BFEERN Cc1cnc([C@H](C)NC(=O)N2CC=C(C)CC2)o1 ZINC000329308071 136364919 /nfs/dbraw/zinc/36/49/19/136364919.db2.gz ZMTKEZCTYHNPPB-NSHDSACASA-N 0 0 249.314 2.610 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1conc1C1CC1 ZINC000329572204 136366148 /nfs/dbraw/zinc/36/61/48/136366148.db2.gz MZIBHGVBDMVDQN-GXSJLCMTSA-N 0 0 245.282 2.549 10 30 BFEERN Cc1cc2c(ccnc2NC[C@H](C)C#N)o1 ZINC000166932115 136367756 /nfs/dbraw/zinc/36/77/56/136367756.db2.gz LFYQIHGRHQPXIT-MRVPVSSYSA-N 0 0 215.256 2.708 10 30 BFEERN COCc1cccc(CN[C@@H]2CCC[C@@H]2C#N)c1 ZINC000054825807 136373158 /nfs/dbraw/zinc/37/31/58/136373158.db2.gz QEMYGRSECFJOQR-HUUCEWRRSA-N 0 0 244.338 2.615 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(F)c(F)c1 ZINC000054827359 136373176 /nfs/dbraw/zinc/37/31/76/136373176.db2.gz NJFDRVPJIPEVPG-MFKMUULPSA-N 0 0 236.265 2.747 10 30 BFEERN N#Cc1ccc2oc3ccc(C(N)=O)cc3c2c1 ZINC000204625503 343581084 /nfs/dbraw/zinc/58/10/84/343581084.db2.gz JRGCXOHRTMBSRE-UHFFFAOYSA-N 0 0 236.230 2.557 10 30 BFEERN CC(=O)c1ccc(O[C@@H](C)C#N)c(Cl)c1 ZINC000127149254 343620040 /nfs/dbraw/zinc/62/00/40/343620040.db2.gz KDWABDXFFJOLIV-ZETCQYMHSA-N 0 0 223.659 2.833 10 30 BFEERN C[C@@H](C#N)C(=O)c1cc(F)c(Cl)cc1F ZINC000135046878 343625634 /nfs/dbraw/zinc/62/56/34/343625634.db2.gz JQPBHARPXGJEOV-YFKPBYRVSA-N 0 0 229.613 2.961 10 30 BFEERN C#CC[C@]1(C)CCc2cc(OC)ccc2C1=O ZINC000214902886 349829108 /nfs/dbraw/zinc/82/91/08/349829108.db2.gz MOTQWMAFUVGZHZ-OAHLLOKOSA-N 0 0 228.291 2.854 10 30 BFEERN CC[C@@H]1CCC[C@@]2(CC1)O[C@]2(Cl)C(=O)OC ZINC000300033545 537802311 /nfs/dbraw/zinc/80/23/11/537802311.db2.gz XMQALVKYWYDAPZ-ADEWGFFLSA-N 0 0 246.734 2.854 10 30 BFEERN N#Cc1cccc2c1nc(N)n2Cc1ccccc1 ZINC000135064102 343707348 /nfs/dbraw/zinc/70/73/48/343707348.db2.gz MIMVZGJGVKYXAS-UHFFFAOYSA-N 0 0 248.289 2.538 10 30 BFEERN CC[C@H](C)C[C@]1(CC)O[C@]1(Cl)C(=O)OC ZINC000300032784 537802724 /nfs/dbraw/zinc/80/27/24/537802724.db2.gz WBQVWOPMGVFQIO-INTQDDNPSA-N 0 0 234.723 2.710 10 30 BFEERN COC(=O)c1cccc(C(=O)C=C(C)C)c1 ZINC000309180624 346977258 /nfs/dbraw/zinc/97/72/58/346977258.db2.gz CXEVBYXUARCPIX-UHFFFAOYSA-N 0 0 218.252 2.622 10 30 BFEERN CCCCN(Cc1ccccc1)C(=O)CC#N ZINC000409428282 343803048 /nfs/dbraw/zinc/80/30/48/343803048.db2.gz MIZVZJJAKMQGLE-UHFFFAOYSA-N 0 0 230.311 2.729 10 30 BFEERN CC(C)(C)OC(=O)Cc1ccc(CC#N)cc1 ZINC000409429555 343806215 /nfs/dbraw/zinc/80/62/15/343806215.db2.gz CTRPBSIXTGJJSK-UHFFFAOYSA-N 0 0 231.295 2.637 10 30 BFEERN CCc1[nH]nc(-c2ccoc2)c1CCC#N ZINC000409440194 343851151 /nfs/dbraw/zinc/85/11/51/343851151.db2.gz LKSVABSGGIMAET-UHFFFAOYSA-N 0 0 215.256 2.688 10 30 BFEERN CC(C)n1nc(C(F)(F)F)cc1CC#N ZINC000409442915 343865076 /nfs/dbraw/zinc/86/50/76/343865076.db2.gz DCZIFIHOCKKIKY-UHFFFAOYSA-N 0 0 217.194 2.549 10 30 BFEERN C#CC(=O)c1ccccc1NC(=O)OC(C)(C)C ZINC000405739666 343953861 /nfs/dbraw/zinc/95/38/61/343953861.db2.gz WBVIMTCBZMEAHG-UHFFFAOYSA-N 0 0 245.278 2.850 10 30 BFEERN Cc1cc([C@@H]2OCC[C@H]2C#N)c(C)s1 ZINC000070672442 343953901 /nfs/dbraw/zinc/95/39/01/343953901.db2.gz CODJKHARHLWDJO-GXSJLCMTSA-N 0 0 207.298 2.966 10 30 BFEERN Nc1ccccc1C(=O)C1=CCCCC1 ZINC000070671464 343953943 /nfs/dbraw/zinc/95/39/43/343953943.db2.gz RUXPUCUUQKYSKC-UHFFFAOYSA-N 0 0 201.269 2.952 10 30 BFEERN C#C[C@H](C)Nc1ccccc1Br ZINC000135162735 343955391 /nfs/dbraw/zinc/95/53/91/343955391.db2.gz NHZIYJPPANXKRC-QMMMGPOBSA-N 0 0 224.101 2.883 10 30 BFEERN CCN(Cc1ccccc1)C(=NC#N)SC ZINC000249716500 362290047 /nfs/dbraw/zinc/29/00/47/362290047.db2.gz UZKBAXPRQLJFQD-UHFFFAOYSA-N 0 0 233.340 2.709 10 30 BFEERN FC(F)(F)c1cccnc1C#CC1CC1 ZINC000585143851 344179122 /nfs/dbraw/zinc/17/91/22/344179122.db2.gz QEVTXCPCSIACPR-UHFFFAOYSA-N 0 0 211.186 2.862 10 30 BFEERN CC(C)Oc1ccc(Cl)c(C#N)c1N ZINC000306434398 344182561 /nfs/dbraw/zinc/18/25/61/344182561.db2.gz ZWBLIGOKQUWCEA-UHFFFAOYSA-N 0 0 210.664 2.581 10 30 BFEERN COC(=O)c1ccc(C(=O)C=C(C)C)cc1 ZINC000309380661 347045482 /nfs/dbraw/zinc/04/54/82/347045482.db2.gz XUJJXHRLNNCFDH-UHFFFAOYSA-N 0 0 218.252 2.622 10 30 BFEERN Cc1cc2cc(OC[C@@H]3CO3)ccc2o1 ZINC000220174139 344319683 /nfs/dbraw/zinc/31/96/83/344319683.db2.gz MHZARRKSCCBNFF-LLVKDONJSA-N 0 0 204.225 2.519 10 30 BFEERN CCCC#Cc1cccc(CC(=O)OC)c1 ZINC000139631164 344423874 /nfs/dbraw/zinc/42/38/74/344423874.db2.gz BZUAGFLUZDGZNI-UHFFFAOYSA-N 0 0 216.280 2.554 10 30 BFEERN CNc1sc2c(c1C#N)CCCCC2 ZINC000062796689 347047924 /nfs/dbraw/zinc/04/79/24/347047924.db2.gz XOVRWTPTPSPFDG-UHFFFAOYSA-N 0 0 206.314 2.930 10 30 BFEERN C=C1CC[C@@H](C(C)(C)O)[C@@H]2C[C@](C)(O)CC[C@@H]12 ZINC000013381693 344418921 /nfs/dbraw/zinc/41/89/21/344418921.db2.gz XJAINVPLNCHJSY-KYEXWDHISA-N 0 0 238.371 2.891 10 30 BFEERN N#C[C@H]1CCCC[C@H]1NCc1cccc(F)c1 ZINC000054824657 344456491 /nfs/dbraw/zinc/45/64/91/344456491.db2.gz HOWBTQQXNSEIJP-TZMCWYRMSA-N 0 0 232.302 2.998 10 30 BFEERN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1ccncc1 ZINC000054825129 344457138 /nfs/dbraw/zinc/45/71/38/344457138.db2.gz FENADJPWGVQYPX-IACUBPJLSA-N 0 0 229.327 2.815 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1NCc1ccccc1F ZINC000054824088 344457548 /nfs/dbraw/zinc/45/75/48/344457548.db2.gz RCCROTOPWWREPW-RISCZKNCSA-N 0 0 232.302 2.998 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccccc1F ZINC000054824090 344457873 /nfs/dbraw/zinc/45/78/73/344457873.db2.gz RCCROTOPWWREPW-FZMZJTMJSA-N 0 0 232.302 2.998 10 30 BFEERN N#Cc1cccc(CN[C@@H]2CCCC[C@@H]2C#N)c1 ZINC000054825645 344472269 /nfs/dbraw/zinc/47/22/69/344472269.db2.gz UOGVERWRTWTTHQ-HUUCEWRRSA-N 0 0 239.322 2.730 10 30 BFEERN C=C(Cl)CNc1cccc(F)c1C#N ZINC000037681396 344514389 /nfs/dbraw/zinc/51/43/89/344514389.db2.gz BMQFRGDZKKJDMO-UHFFFAOYSA-N 0 0 210.639 2.862 10 30 BFEERN CC(C)[C@@H](C)N[C@H](C#N)Cc1ccccc1 ZINC000381511559 344514852 /nfs/dbraw/zinc/51/48/52/344514852.db2.gz RDCBDMIPPWPVBR-OCCSQVGLSA-N 0 0 216.328 2.755 10 30 BFEERN N#C[C@@H]1CCC[C@H]1Nc1sccc1[N+](=O)[O-] ZINC000381573549 344521975 /nfs/dbraw/zinc/52/19/75/344521975.db2.gz YPTROXVYBBDDRD-JGVFFNPUSA-N 0 0 237.284 2.760 10 30 BFEERN N#C[C@]1(Br)CCOc2ccccc21 ZINC000127606371 344573226 /nfs/dbraw/zinc/57/32/26/344573226.db2.gz LKNOMCPZNWCRJE-SNVBAGLBSA-N 0 0 238.084 2.583 10 30 BFEERN N#CCc1ccc(C#N)cc1OC(F)(F)F ZINC000396076258 344595594 /nfs/dbraw/zinc/59/55/94/344595594.db2.gz JLDMMVZINSYLOR-UHFFFAOYSA-N 0 0 226.157 2.523 10 30 BFEERN N#CCc1cccc(C#N)c1OC(F)(F)F ZINC000396077108 344595956 /nfs/dbraw/zinc/59/59/56/344595956.db2.gz LVGBPKDTQUUWHJ-UHFFFAOYSA-N 0 0 226.157 2.523 10 30 BFEERN C=CC[C@H](C)NC(=O)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000117808092 133524864 /nfs/dbraw/zinc/52/48/64/133524864.db2.gz COOMKQFUEASWHS-COPLHBTASA-N 0 0 245.322 2.632 10 30 BFEERN C[C@H]1CCCC[C@@]1(Br)C#N ZINC000127661754 344585938 /nfs/dbraw/zinc/58/59/38/344585938.db2.gz RSCCYQATYTUPSN-JGVFFNPUSA-N 0 0 202.095 2.854 10 30 BFEERN N#CCc1cccc(C(F)(F)F)c1C#N ZINC000396109362 344605038 /nfs/dbraw/zinc/60/50/38/344605038.db2.gz XYDQMUVWPSMMMC-UHFFFAOYSA-N 0 0 210.158 2.643 10 30 BFEERN C#CC[C@H](C)NC(=O)c1ccc(Cl)s1 ZINC000127693688 344606517 /nfs/dbraw/zinc/60/65/17/344606517.db2.gz IRBVSMRYPFGNCI-ZETCQYMHSA-N 0 0 227.716 2.543 10 30 BFEERN Cc1ccc(N(C)C[C@@H](C)C#N)c(C)c1 ZINC000049812472 178699160 /nfs/dbraw/zinc/69/91/60/178699160.db2.gz VVBHVXLDNHLJRO-NSHDSACASA-N 0 0 202.301 2.899 10 30 BFEERN N#CCCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114202554 344684259 /nfs/dbraw/zinc/68/42/59/344684259.db2.gz MGVGGLBLWHQBQU-CYBMUJFWSA-N 0 0 232.331 2.631 10 30 BFEERN C#CCNc1cc(Br)ccc1F ZINC000050521865 344706231 /nfs/dbraw/zinc/70/62/31/344706231.db2.gz DXVUEZSNSAXTHZ-UHFFFAOYSA-N 0 0 228.064 2.633 10 30 BFEERN Cc1ccc(NN=Cc2cccnc2)cc1 ZINC000004923877 178711139 /nfs/dbraw/zinc/71/11/39/178711139.db2.gz LVLMOIZXPFEMPZ-XNTDXEJSSA-N 0 0 211.268 2.836 10 30 BFEERN CC(C)(C)[C@H]1CCCC[C@@H]1OS(C)(=O)=O ZINC000166202469 344787790 /nfs/dbraw/zinc/78/77/90/344787790.db2.gz ZGMKTHOQALOUIA-UWVGGRQHSA-N 0 0 234.361 2.568 10 30 BFEERN CCOc1cc(C(F)(F)F)ccc1C#N ZINC000039100125 344847851 /nfs/dbraw/zinc/84/78/51/344847851.db2.gz ZCNXVYPATPFQQN-UHFFFAOYSA-N 0 0 215.174 2.976 10 30 BFEERN CN(C)/C=C/C(=O)c1ccc(F)cc1Cl ZINC000070602651 537872905 /nfs/dbraw/zinc/87/29/05/537872905.db2.gz SZQKRPCNXMMYJR-AATRIKPKSA-N 0 0 227.666 2.737 10 30 BFEERN C=C(C)C(=O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000235414335 344906411 /nfs/dbraw/zinc/90/64/11/344906411.db2.gz BEHCOGQGDRAQEE-YIZRAAEISA-N 0 0 216.371 2.757 10 30 BFEERN CC(=O)/C=C/c1cc(Cl)ccc1[N+](=O)[O-] ZINC000033840343 344968578 /nfs/dbraw/zinc/96/85/78/344968578.db2.gz BBPRHELOFWAJON-NSCUHMNNSA-N 0 0 225.631 2.850 10 30 BFEERN COC(=O)C#Cc1cccc(Cl)c1Cl ZINC000070835231 537883860 /nfs/dbraw/zinc/88/38/60/537883860.db2.gz APPZJNPKHOHTTO-UHFFFAOYSA-N 0 0 229.062 2.518 10 30 BFEERN Cc1ccc(OC(F)(F)F)c(CC#N)c1 ZINC000044369803 345041970 /nfs/dbraw/zinc/04/19/70/345041970.db2.gz MZTKTVRZHUQJSE-UHFFFAOYSA-N 0 0 215.174 2.960 10 30 BFEERN N#CCc1ccc(C#N)cc1C(F)(F)F ZINC000044371478 345044084 /nfs/dbraw/zinc/04/40/84/345044084.db2.gz VGLDQMSBOSVGRY-UHFFFAOYSA-N 0 0 210.158 2.643 10 30 BFEERN N#Cc1cc(OC(F)(F)F)cc(Cl)n1 ZINC000238530533 345069152 /nfs/dbraw/zinc/06/91/52/345069152.db2.gz FKAGZWBVGSGCHY-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#CCCc1sccc1Br ZINC000044471020 345090058 /nfs/dbraw/zinc/09/00/58/345090058.db2.gz QEFUHAOCGLWJOQ-UHFFFAOYSA-N 0 0 216.103 2.967 10 30 BFEERN C=CCCC(=O)c1cc(OC)ccc1OC ZINC000168414750 345316807 /nfs/dbraw/zinc/31/68/07/345316807.db2.gz HPZNGNKRDYGTEQ-UHFFFAOYSA-N 0 0 220.268 2.853 10 30 BFEERN C=CCCC(=O)c1ccc(F)c(OC)c1 ZINC000168418252 345318290 /nfs/dbraw/zinc/31/82/90/345318290.db2.gz PJBQGKOIOYABJK-UHFFFAOYSA-N 0 0 208.232 2.983 10 30 BFEERN CC#CCCN1C[C@@H](C)O[C@@H](c2ccccc2)C1 ZINC000248388355 345367278 /nfs/dbraw/zinc/36/72/78/345367278.db2.gz DOPRJTHNLUTSLH-GDBMZVCRSA-N 0 0 243.350 2.862 10 30 BFEERN CC1CC(C(=O)Nc2ccc(CC#N)cc2)C1 ZINC000084737982 345521301 /nfs/dbraw/zinc/52/13/01/345521301.db2.gz VQDMFZPITPJUMB-UHFFFAOYSA-N 0 0 228.295 2.737 10 30 BFEERN C[C@@H]1OC2=C(C(=O)C(=O)c3ccccc32)C1(C)C ZINC000001531756 537909176 /nfs/dbraw/zinc/90/91/76/537909176.db2.gz WGENOABUKBFVAA-QMMMGPOBSA-N 0 0 242.274 2.608 10 30 in-vitro BFEERN C[C@@H](O)c1ccncc1-c1ccc(C#N)c(F)c1 ZINC000207682238 345758821 /nfs/dbraw/zinc/75/88/21/345758821.db2.gz CKHUWUCSYYBBRT-SECBINFHSA-N 0 0 242.253 2.813 10 30 BFEERN C=CCc1sccc1CC(=O)OCC ZINC000034087599 345816395 /nfs/dbraw/zinc/81/63/95/345816395.db2.gz QFJBWQSYEXMGSD-UHFFFAOYSA-N 0 0 210.298 2.582 10 30 BFEERN CC(C)=CCC[C@H](C)CCOS(C)(=O)=O ZINC000034123672 345817793 /nfs/dbraw/zinc/81/77/93/345817793.db2.gz REOTWSUDNJILTP-NSHDSACASA-N 0 0 234.361 2.735 10 30 BFEERN C=CCOc1cccc(CCC(=O)OCC)c1 ZINC000034182184 345818849 /nfs/dbraw/zinc/81/88/49/345818849.db2.gz JZJGEOLWBSQWLV-UHFFFAOYSA-N 0 0 234.295 2.747 10 30 BFEERN C=CC(F)(F)[C@@H](O)/C=C/c1ccccc1 ZINC000034239905 345820242 /nfs/dbraw/zinc/82/02/42/345820242.db2.gz TXWWMOAPDGXAHV-FBOQAHMBSA-N 0 0 210.223 2.882 10 30 BFEERN CCCCCCCC[C@@H](CO)CCO ZINC000137989294 345804212 /nfs/dbraw/zinc/80/42/12/345804212.db2.gz TYBKGVWQUWPGQF-GFCCVEGCSA-N 0 0 202.338 2.728 10 30 BFEERN C#Cc1cccc2cc(C(=O)OC)ccc12 ZINC000196712879 345841613 /nfs/dbraw/zinc/84/16/13/345841613.db2.gz YIVSRSHKVOWKKB-UHFFFAOYSA-N 0 0 210.232 2.608 10 30 BFEERN N#Cc1ccc(CO[C@@H]2CCCCO2)cc1 ZINC000142602246 345863859 /nfs/dbraw/zinc/86/38/59/345863859.db2.gz UUMBEXIRHNHQOG-CYBMUJFWSA-N 0 0 217.268 2.601 10 30 BFEERN CC(=O)Nc1cc2c(cc1C#N)C=CC(C)(C)O2 ZINC000142374895 345862972 /nfs/dbraw/zinc/86/29/72/345862972.db2.gz AEVNEJOBEGXBIE-UHFFFAOYSA-N 0 0 242.278 2.701 10 30 BFEERN CCOC(C#Cc1cccc(C)c1)OCC ZINC000034482263 345835189 /nfs/dbraw/zinc/83/51/89/345835189.db2.gz UJONHJJRKGFRTK-UHFFFAOYSA-N 0 0 218.296 2.746 10 30 BFEERN O=CCc1ccc(OCc2ccoc2)cc1 ZINC000034482051 345835192 /nfs/dbraw/zinc/83/51/92/345835192.db2.gz JVSFTDZKZXCMSF-UHFFFAOYSA-N 0 0 216.236 2.600 10 30 BFEERN CC[C@H]1CCCC[C@]1(O)C#CBr ZINC000142478991 345863424 /nfs/dbraw/zinc/86/34/24/345863424.db2.gz URXLSHPGJHEDKO-UWVGGRQHSA-N 0 0 231.133 2.674 10 30 BFEERN COC(=O)c1cc(C#N)c(C)c2ccccc12 ZINC000034620423 345838524 /nfs/dbraw/zinc/83/85/24/345838524.db2.gz BSCBFSLIABRWRY-UHFFFAOYSA-N 0 0 225.247 2.807 10 30 BFEERN N#Cc1ccc(-c2ccc(N)c(N)c2)cc1F ZINC000143673594 345866708 /nfs/dbraw/zinc/86/67/08/345866708.db2.gz CSQOCDJDBINZRK-UHFFFAOYSA-N 0 0 227.242 2.529 10 30 BFEERN N#C[C@H]1CCC[C@H]1Nc1ncc(Cl)s1 ZINC000307659097 345876512 /nfs/dbraw/zinc/87/65/12/345876512.db2.gz CISGPOFHWHXFQT-RNFRBKRXSA-N 0 0 227.720 2.901 10 30 BFEERN C[C@@H]1C[C@H](C(=O)NC2(C#N)CC2)CC(C)(C)C1 ZINC000181156649 345929161 /nfs/dbraw/zinc/92/91/61/345929161.db2.gz GJVIDTVKHOSYLM-MNOVXSKESA-N 0 0 234.343 2.621 10 30 BFEERN CC(C)(C)OC(=O)N1c2ccccc2C[C@H]1C=O ZINC000082037377 345907128 /nfs/dbraw/zinc/90/71/28/345907128.db2.gz BZAOWIAMNHJVCT-NSHDSACASA-N 0 0 247.294 2.552 10 30 BFEERN O=CCCCCCc1cccc2c[nH+]cn21 ZINC000144462647 345921519 /nfs/dbraw/zinc/92/15/19/345921519.db2.gz UWGWEFYRCXHNOQ-UHFFFAOYSA-N 0 0 216.284 2.636 10 30 BFEERN CO/N=C/c1ccc(C(F)(F)F)cc1 ZINC000145643265 345940405 /nfs/dbraw/zinc/94/04/05/345940405.db2.gz ZLAXDJDWMUZFPQ-AWNIVKPZSA-N 0 0 203.163 2.686 10 30 BFEERN C#CCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000034481702 346006484 /nfs/dbraw/zinc/00/64/84/346006484.db2.gz AMKOTIKDWPIFMJ-UHFFFAOYSA-N 0 0 211.308 2.799 10 30 BFEERN CC(=O)/C=C/c1c(C)cc(N(C)C)cc1C ZINC000150278355 346169804 /nfs/dbraw/zinc/16/98/04/346169804.db2.gz UKWXXYQKXNEBGP-VOTSOKGWSA-N 0 0 217.312 2.972 10 30 BFEERN C/C=C/C(=O)c1cncc(Br)c1 ZINC000149805809 346158574 /nfs/dbraw/zinc/15/85/74/346158574.db2.gz QRAIQVBMOLBAFF-NSCUHMNNSA-N 0 0 226.073 2.603 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1Sc1ncco1 ZINC000236171430 346205134 /nfs/dbraw/zinc/20/51/34/346205134.db2.gz CRKWKWIBRLCWDQ-IUCAKERBSA-N 0 0 208.286 2.849 10 30 BFEERN Cc1cccc(C(N)=NC(=O)OC(C)(C)C)c1 ZINC000082547539 179002224 /nfs/dbraw/zinc/00/22/24/179002224.db2.gz CGLYEPAPIWWCQV-UHFFFAOYSA-N 0 0 234.299 2.635 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1Sc1ncc[nH]1 ZINC000236216514 346211594 /nfs/dbraw/zinc/21/15/94/346211594.db2.gz VWPGDPITRLKONX-BDAKNGLRSA-N 0 0 207.302 2.584 10 30 BFEERN C=CCOc1ncc(Br)cc1F ZINC000236143443 346197745 /nfs/dbraw/zinc/19/77/45/346197745.db2.gz TTXNYKXPEADLSO-UHFFFAOYSA-N 0 0 232.052 2.548 10 30 BFEERN N#Cc1c(Cl)cccc1NCC(F)F ZINC000136600619 346248725 /nfs/dbraw/zinc/24/87/25/346248725.db2.gz ARKUUZDXCUJTHU-UHFFFAOYSA-N 0 0 216.618 2.889 10 30 BFEERN O=C(C1=CCCCO1)[C@H]1CCCCS1 ZINC000167521570 346258495 /nfs/dbraw/zinc/25/84/95/346258495.db2.gz GTTYZWNQTMICNH-SNVBAGLBSA-N 0 0 212.314 2.536 10 30 BFEERN CCC1CCC(CC(=O)OC)([C@@H]2CO2)CC1 ZINC000675052261 537962750 /nfs/dbraw/zinc/96/27/50/537962750.db2.gz CKATYQYJXQMMKW-AKJDGMEZSA-N 0 0 226.316 2.535 10 30 BFEERN Cc1cccc(C)c1NC(=NC(C)(C)C)NC#N ZINC000033855198 179028646 /nfs/dbraw/zinc/02/86/46/179028646.db2.gz GGRLOLARDKIMDE-UHFFFAOYSA-N 0 0 244.342 2.750 10 30 BFEERN C=C(C)CNc1ncc(Cl)cc1F ZINC000160391767 346450702 /nfs/dbraw/zinc/45/07/02/346450702.db2.gz IEIQVBGDTLKLEI-UHFFFAOYSA-N 0 0 200.644 2.862 10 30 BFEERN C[C@H](C#N)[C@H](O)c1cc(Cl)ccc1F ZINC000163798910 346577874 /nfs/dbraw/zinc/57/78/74/346577874.db2.gz RSOMZGIFEVAQJS-LDWIPMOCSA-N 0 0 213.639 2.672 10 30 BFEERN Cc1cc(C#N)cc(N(C)CCOC(C)(C)C)n1 ZINC000588001927 346621160 /nfs/dbraw/zinc/62/11/60/346621160.db2.gz HQPCFSFAAYFBAN-UHFFFAOYSA-N 0 0 247.342 2.513 10 30 BFEERN Cc1nc(C#N)sc1-c1cccc(N)c1 ZINC000669380292 537988369 /nfs/dbraw/zinc/98/83/69/537988369.db2.gz KSWDXCYESOLWRU-UHFFFAOYSA-N 0 0 215.281 2.572 10 30 BFEERN C=CCOc1cc(N)ccc1Br ZINC000230795058 347330296 /nfs/dbraw/zinc/33/02/96/347330296.db2.gz WEFLPIOFBFNTBL-UHFFFAOYSA-N 0 0 228.089 2.596 10 30 BFEERN Cc1cc(NC(=O)OC(C)(C)C)cc(C#N)n1 ZINC000166041995 347404624 /nfs/dbraw/zinc/40/46/24/347404624.db2.gz IGHJXFNVMDSUHB-UHFFFAOYSA-N 0 0 233.271 2.609 10 30 BFEERN Cc1ccccc1-c1cnn(CCC#N)c1 ZINC000049814976 179236539 /nfs/dbraw/zinc/23/65/39/179236539.db2.gz QSRNBGGAZDRHTN-UHFFFAOYSA-N 0 0 211.268 2.772 10 30 BFEERN Cc1nn(C)c(N(C)c2ccccc2C)c1C#N ZINC000104325568 179295071 /nfs/dbraw/zinc/29/50/71/179295071.db2.gz VHWGLYKBUJLILW-UHFFFAOYSA-N 0 0 240.310 2.677 10 30 BFEERN N#CCc1ccc2c(c1)C(=O)c1ccccc1CO2 ZINC000196396723 347875461 /nfs/dbraw/zinc/87/54/61/347875461.db2.gz PIPYNAASBFVGAA-UHFFFAOYSA-N 0 0 249.269 2.876 10 30 BFEERN C[C@@H](C#N)C(=O)c1cc2c(s1)CCC2 ZINC000036935105 347964003 /nfs/dbraw/zinc/96/40/03/347964003.db2.gz UFRVKTVXCRWMFT-ZETCQYMHSA-N 0 0 205.282 2.579 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1Sc1nncs1 ZINC000037155677 348025557 /nfs/dbraw/zinc/02/55/57/348025557.db2.gz JVIHCEFAOYRIOU-JGVFFNPUSA-N 0 0 225.342 2.713 10 30 BFEERN Cc1[nH]c(C#N)cc1-c1ccc(C#N)cc1 ZINC000204068060 348257253 /nfs/dbraw/zinc/25/72/53/348257253.db2.gz ZXVJFJDTCVEAFT-UHFFFAOYSA-N 0 0 207.236 2.733 10 30 BFEERN Cc1ncccc1CN[C@@H]1CCCC[C@H]1C#N ZINC000595689567 348314940 /nfs/dbraw/zinc/31/49/40/348314940.db2.gz MPIUJYDVSFVSSE-GXTWGEPZSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1ncccc1CN[C@H]1CCCC[C@@H]1C#N ZINC000595689570 348315028 /nfs/dbraw/zinc/31/50/28/348315028.db2.gz MPIUJYDVSFVSSE-OCCSQVGLSA-N 0 0 229.327 2.562 10 30 BFEERN C[C@@H]1CCCCN1c1nc(C#N)ccc1Cl ZINC000669382065 538002579 /nfs/dbraw/zinc/00/25/79/538002579.db2.gz FOKCZKDBSWUDPA-SECBINFHSA-N 0 0 235.718 2.985 10 30 BFEERN C[C@H]1CCCN(c2nc(C#N)ccc2Cl)C1 ZINC000669382077 538003364 /nfs/dbraw/zinc/00/33/64/538003364.db2.gz FUAMZLPJIIYZAG-VIFPVBQESA-N 0 0 235.718 2.843 10 30 BFEERN C=CCc1ccc(OCCCOC)cc1 ZINC000669382677 538003987 /nfs/dbraw/zinc/00/39/87/538003987.db2.gz MMMNGDUSGGXGMX-UHFFFAOYSA-N 0 0 206.285 2.830 10 30 BFEERN O/N=C1\c2ccccc2CC[C@@H]1c1cccnc1 ZINC000216312377 349993652 /nfs/dbraw/zinc/99/36/52/349993652.db2.gz IPCRYAFLOSGRBG-DHSYKJLNSA-N 0 0 238.290 2.990 10 30 BFEERN Cc1cc(Br)cc(CC#N)c1O ZINC000216412095 350000283 /nfs/dbraw/zinc/00/02/83/350000283.db2.gz FISPSUUQHRLBEN-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000597339785 348720434 /nfs/dbraw/zinc/72/04/34/348720434.db2.gz NZAQEVMZQHFBTF-FRRDWIJNSA-N 0 0 246.354 2.765 10 30 BFEERN N#Cc1cnn(-c2ccc(Br)cc2)c1 ZINC000035323004 187420866 /nfs/dbraw/zinc/42/08/66/187420866.db2.gz VVBFQWQWTXGVBQ-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN N/N=C1\c2ccccc2-c2ccc(F)cc21 ZINC000199087525 349101542 /nfs/dbraw/zinc/10/15/42/349101542.db2.gz IDJKQDALUZJWCL-DTQAZKPQSA-N 0 0 212.227 2.517 10 30 BFEERN Cc1csc(CNc2ccc(C#N)cc2N)n1 ZINC000049533831 179779566 /nfs/dbraw/zinc/77/95/66/179779566.db2.gz WQKNHIFDUDLRRK-UHFFFAOYSA-N 0 0 244.323 2.518 10 30 BFEERN O=[N+]([O-])c1ccccc1-c1cc(CS)no1 ZINC000725252294 538033506 /nfs/dbraw/zinc/03/35/06/538033506.db2.gz HRWKSKXJUUGFLS-UHFFFAOYSA-N 0 0 236.252 2.680 10 30 BFEERN O=[N+]([O-])c1cccc(-c2cc(CS)no2)c1 ZINC000725252484 538034107 /nfs/dbraw/zinc/03/41/07/538034107.db2.gz LDOFNQHQWZVNEK-UHFFFAOYSA-N 0 0 236.252 2.680 10 30 BFEERN SCc1cc([C@@]23C[C@@H]2CCCC3)on1 ZINC000725253128 538036361 /nfs/dbraw/zinc/03/63/61/538036361.db2.gz XGCLETYMSGIJJO-KWQFWETISA-N 0 0 209.314 2.936 10 30 BFEERN COc1cccc(F)c1-c1cc(CS)no1 ZINC000725253252 538036396 /nfs/dbraw/zinc/03/63/96/538036396.db2.gz ZZEZSAYAYFDRQG-UHFFFAOYSA-N 0 0 239.271 2.919 10 30 BFEERN O[C@H]1CCCC[C@@H]1C#Cc1cccs1 ZINC000616581477 349264201 /nfs/dbraw/zinc/26/42/01/349264201.db2.gz SZBYYDDLVVDVQC-PWSUYJOCSA-N 0 0 206.310 2.651 10 30 BFEERN O[C@@H]1CCC[C@H]1C#Cc1ccc(Cl)cc1 ZINC000616581551 349264484 /nfs/dbraw/zinc/26/44/84/349264484.db2.gz ZSXSODQVBULHHY-WCQYABFASA-N 0 0 220.699 2.853 10 30 BFEERN O[C@@H]1CCC[C@H]1C#Cc1ccccc1Cl ZINC000616581525 349264601 /nfs/dbraw/zinc/26/46/01/349264601.db2.gz XSJKNTFFDSWILM-WCQYABFASA-N 0 0 220.699 2.853 10 30 BFEERN O=CC[C@@H](O)c1cccc(Cl)c1Cl ZINC000159366660 350068875 /nfs/dbraw/zinc/06/88/75/350068875.db2.gz QHDIOZPBWORPSM-MRVPVSSYSA-N 0 0 219.067 2.616 10 30 BFEERN Cc1nc(S[C@@H]2O[C@H]2C)sc1C ZINC000039104995 180032694 /nfs/dbraw/zinc/03/26/94/180032694.db2.gz PIJZWUPFRKAXNQ-FSPLSTOPSA-N 0 0 201.316 2.597 10 30 BFEERN COC(=O)c1ccccc1C#Cc1ccccc1 ZINC000038998317 350113825 /nfs/dbraw/zinc/11/38/25/350113825.db2.gz HPOPSJUQHAPJER-UHFFFAOYSA-N 0 0 236.270 2.873 10 30 BFEERN C#CCNc1ccc(C(=O)c2ccccc2)cc1 ZINC000038976934 350114506 /nfs/dbraw/zinc/11/45/06/350114506.db2.gz DVFOJWUNLFMJFI-UHFFFAOYSA-N 0 0 235.286 2.963 10 30 BFEERN Cc1nc2cccnc2n1Cc1ccc(C#N)cc1 ZINC000075973328 180107969 /nfs/dbraw/zinc/10/79/69/180107969.db2.gz NKPCJXQXQYUVHQ-UHFFFAOYSA-N 0 0 248.289 2.660 10 30 BFEERN Cc1ncc(CN[C@@H]2CCCC[C@@H]2C#N)s1 ZINC000054826241 180155941 /nfs/dbraw/zinc/15/59/41/180155941.db2.gz PHOGDKHTOQQRJM-ZYHUDNBSSA-N 0 0 235.356 2.624 10 30 BFEERN C/C=C\C(=O)c1ccc(C(=O)OCC)cc1 ZINC000222194249 350240094 /nfs/dbraw/zinc/24/00/94/350240094.db2.gz HFGSYJSHXKXKPI-HYXAFXHYSA-N 0 0 218.252 2.622 10 30 BFEERN COC(=O)[C@]1(C)O[C@@]12CCC(C)(C)C[C@H]2C ZINC000252139196 538078325 /nfs/dbraw/zinc/07/83/25/538078325.db2.gz MXXNZAXEDWZMMW-JIMOISOXSA-N 0 0 226.316 2.533 10 30 BFEERN C[C@H](C#N)Nc1ccccc1Br ZINC000037853308 350287663 /nfs/dbraw/zinc/28/76/63/350287663.db2.gz JWAKEVAAYWFPQT-SSDOTTSWSA-N 0 0 225.089 2.773 10 30 BFEERN C[C@H](C#N)Nc1ccc(Br)cc1 ZINC000037936359 350292964 /nfs/dbraw/zinc/29/29/64/350292964.db2.gz VLPMBHPUTVLWBP-SSDOTTSWSA-N 0 0 225.089 2.773 10 30 BFEERN CC[C@@](C)(C#N)NC(=O)[C@H]1CCCCC1(F)F ZINC000327942161 350364120 /nfs/dbraw/zinc/36/41/20/350364120.db2.gz XLGDLVXTULMTAY-KOLCDFICSA-N 0 0 244.285 2.620 10 30 BFEERN Cc1nn(C)c(Cl)c1C=NNc1ccccc1 ZINC000033374146 180348371 /nfs/dbraw/zinc/34/83/71/180348371.db2.gz WOUXDAWKRMLKSB-ZSOIEALJSA-N 0 0 248.717 2.828 10 30 BFEERN Cc1nn(C)c(OC[C@H]2CC=CC[C@@H]2C)c1C#N ZINC000104319221 180360533 /nfs/dbraw/zinc/36/05/33/180360533.db2.gz NNABCDGLRCDFED-CMPLNLGQSA-N 0 0 245.326 2.581 10 30 BFEERN NC(=O)c1ccccc1/N=C/c1cccs1 ZINC000100039107 187458272 /nfs/dbraw/zinc/45/82/72/187458272.db2.gz XZLFLMNJARKUDW-RIYZIHGNSA-N 0 0 230.292 2.598 10 30 BFEERN C/C(=C\Cl)C[C@]1(C=O)CCCOC1 ZINC000306697851 350847507 /nfs/dbraw/zinc/84/75/07/350847507.db2.gz CUFIDDKMGUDGSP-ZKXNXJMVSA-N 0 0 202.681 2.515 10 30 BFEERN O=C[C@H]1CC[C@@]2(CCCC23CCCC3)O1 ZINC000306709017 350855796 /nfs/dbraw/zinc/85/57/96/350855796.db2.gz OQSAWDZICGDTIM-DGCLKSJQSA-N 0 0 208.301 2.847 10 30 BFEERN COC(=O)N1CCC[C@H](c2ccc(C#N)cc2)C1 ZINC000616617060 350860575 /nfs/dbraw/zinc/86/05/75/350860575.db2.gz DZOMBVDWLLHXDJ-ZDUSSCGKSA-N 0 0 244.294 2.504 10 30 BFEERN Cc1ccccc1[C@@H]1CC[C@](C)(C=O)O1 ZINC000306732299 350902434 /nfs/dbraw/zinc/90/24/34/350902434.db2.gz RRMXJJUOMGNHTJ-QWHCGFSZSA-N 0 0 204.269 2.804 10 30 BFEERN C[C@@H]1CCC[C@@]1(C=O)Cc1cscn1 ZINC000306722544 350889252 /nfs/dbraw/zinc/88/92/52/350889252.db2.gz FRBGPENGLVOVKI-KOLCDFICSA-N 0 0 209.314 2.691 10 30 BFEERN C[C@@H]1CCC[C@]1(C=O)Cc1cscn1 ZINC000306722545 350889532 /nfs/dbraw/zinc/88/95/32/350889532.db2.gz FRBGPENGLVOVKI-MWLCHTKSSA-N 0 0 209.314 2.691 10 30 BFEERN C[C@@H]1C[C@@H](C)CC2(CC[C@](C)(C=O)O2)C1 ZINC000306723726 350890421 /nfs/dbraw/zinc/89/04/21/350890421.db2.gz HLYNOOZIPCYLNF-IJLUTSLNSA-N 0 0 210.317 2.949 10 30 BFEERN CC#C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000306728734 350897336 /nfs/dbraw/zinc/89/73/36/350897336.db2.gz NWFMZYXVYAMLSN-SNVBAGLBSA-N 0 0 243.075 2.645 10 30 BFEERN C[C@H](C#N)Oc1cc(Cl)ccc1C#N ZINC000129038866 350970538 /nfs/dbraw/zinc/97/05/38/350970538.db2.gz YFICOLLWDWQTRZ-SSDOTTSWSA-N 0 0 206.632 2.503 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1nnc(C)c(C)c1C#N ZINC000231662108 351046507 /nfs/dbraw/zinc/04/65/07/351046507.db2.gz SNMRAWCWQWUYDK-CMPLNLGQSA-N 0 0 230.315 2.566 10 30 BFEERN CC(C)(C)N1CCOC[C@@H]1c1ccccc1C#N ZINC000616636423 351125323 /nfs/dbraw/zinc/12/53/23/351125323.db2.gz GKQDQARJZAFWCQ-CQSZACIVSA-N 0 0 244.338 2.730 10 30 BFEERN CC(C)(C)N1CCOC[C@H]1c1cccc(C#N)c1 ZINC000616641752 351151429 /nfs/dbraw/zinc/15/14/29/351151429.db2.gz ORYSPJDDWNAHMF-AWEZNQCLSA-N 0 0 244.338 2.730 10 30 BFEERN C=C(Cl)CNc1ncc(F)cc1F ZINC000168010946 351251041 /nfs/dbraw/zinc/25/10/41/351251041.db2.gz OGCWGUHSGMGWNE-UHFFFAOYSA-N 0 0 204.607 2.524 10 30 BFEERN C=C(Br)CNc1ccc(C)cc1N ZINC000168185137 351335188 /nfs/dbraw/zinc/33/51/88/351335188.db2.gz NODZQJAJJCRIMN-UHFFFAOYSA-N 0 0 241.132 2.898 10 30 BFEERN Cc1cc(Cl)cc([N+](=O)[O-])c1CC#N ZINC000306901182 351315275 /nfs/dbraw/zinc/31/52/75/351315275.db2.gz NIPLVMBZMFSKDW-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN C(#Cc1ccccc1)CO[C@H]1CCCCO1 ZINC000038212820 351335854 /nfs/dbraw/zinc/33/58/54/351335854.db2.gz XUAWRPGYBOPXTL-AWEZNQCLSA-N 0 0 216.280 2.581 10 30 BFEERN O=C(C1=CCCO1)c1c(F)cccc1Cl ZINC000168359884 351389044 /nfs/dbraw/zinc/38/90/44/351389044.db2.gz PICZGLYOSPJCOC-UHFFFAOYSA-N 0 0 226.634 2.966 10 30 BFEERN N#CC[C@H](O)c1cccc(F)c1Br ZINC000306976093 351396003 /nfs/dbraw/zinc/39/60/03/351396003.db2.gz ADLYQCYFTOZYNQ-QMMMGPOBSA-N 0 0 244.063 2.535 10 30 BFEERN Cc1cc(CC#N)c([N+](=O)[O-])cc1Cl ZINC000306931608 351356942 /nfs/dbraw/zinc/35/69/42/351356942.db2.gz CKJHNFNWCJHRHL-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN C#CCCNc1nc(Cl)nc2ccsc21 ZINC000307041351 351443765 /nfs/dbraw/zinc/44/37/65/351443765.db2.gz OGIYXCXKQKABBI-UHFFFAOYSA-N 0 0 237.715 2.780 10 30 BFEERN CCOc1ccc(C#N)c(Br)c1F ZINC000231849218 351408342 /nfs/dbraw/zinc/40/83/42/351408342.db2.gz HYBONZOPTLBWPF-UHFFFAOYSA-N 0 0 244.063 2.859 10 30 BFEERN Cc1nc(Br)c(Cl)cc1C#N ZINC000307012579 351420126 /nfs/dbraw/zinc/42/01/26/351420126.db2.gz MNVVTVXCICNNJO-UHFFFAOYSA-N 0 0 231.480 2.678 10 30 BFEERN Cc1cc(C#N)nc(SC(C)(C)C)n1 ZINC000231936966 351472693 /nfs/dbraw/zinc/47/26/93/351472693.db2.gz WJMRQPGSUSOQHE-UHFFFAOYSA-N 0 0 207.302 2.547 10 30 BFEERN Cc1cccc([C@@H]2CC[C@@H](C=O)O2)c1C ZINC000307162017 351526368 /nfs/dbraw/zinc/52/63/68/351526368.db2.gz HHCJWBCQMHVNMW-AAEUAGOBSA-N 0 0 204.269 2.722 10 30 BFEERN Cc1cccc([C@@H]2CC[C@H](C=O)O2)c1C ZINC000307162021 351527690 /nfs/dbraw/zinc/52/76/90/351527690.db2.gz HHCJWBCQMHVNMW-YPMHNXCESA-N 0 0 204.269 2.722 10 30 BFEERN N#CC1(c2ncns2)CCCCCC1 ZINC000307213952 351613848 /nfs/dbraw/zinc/61/38/48/351613848.db2.gz YXWVMNIYRHBJAW-UHFFFAOYSA-N 0 0 207.302 2.654 10 30 BFEERN O=C[C@@H]1CC[C@H](c2c(F)cccc2Cl)O1 ZINC000307206663 351609424 /nfs/dbraw/zinc/60/94/24/351609424.db2.gz HSYQWHQOVYEEBG-OIBJUYFYSA-N 0 0 228.650 2.898 10 30 BFEERN O=C[C@H]1CC[C@@H](c2c(F)cccc2Cl)O1 ZINC000307206664 351610325 /nfs/dbraw/zinc/61/03/25/351610325.db2.gz HSYQWHQOVYEEBG-XCBNKYQSSA-N 0 0 228.650 2.898 10 30 BFEERN CC[C@@H](S)C(=O)Nc1cscc1C ZINC000307215456 351618520 /nfs/dbraw/zinc/61/85/20/351618520.db2.gz DWLKOHMNOFQYKM-MRVPVSSYSA-N 0 0 215.343 2.703 10 30 BFEERN C=CCSc1c(N)ccc(F)c1F ZINC000307256480 351791594 /nfs/dbraw/zinc/79/15/94/351791594.db2.gz ARSQGSQTGZRBSJ-UHFFFAOYSA-N 0 0 201.241 2.825 10 30 BFEERN Cn1cc(C(F)F)c(-c2cccc(C#N)c2)n1 ZINC000725269607 538101810 /nfs/dbraw/zinc/10/18/10/538101810.db2.gz AXGYXKSIRKCLJC-UHFFFAOYSA-N 0 0 233.221 2.896 10 30 BFEERN Brc1ccnc(N=NCC2CC2)c1 ZINC000307321603 352015275 /nfs/dbraw/zinc/01/52/75/352015275.db2.gz WZQLUEZWYXIPHD-WUXMJOGZSA-N 0 0 240.104 2.652 10 30 BFEERN N#CC1(c2ncc(Cl)cc2F)CCC1 ZINC000307388061 352547551 /nfs/dbraw/zinc/54/75/51/352547551.db2.gz GCRKCGPWCGEFOR-UHFFFAOYSA-N 0 0 210.639 2.819 10 30 BFEERN O=C(C1=COCC1)c1ncc(Cl)cc1Cl ZINC000307561420 352654059 /nfs/dbraw/zinc/65/40/59/352654059.db2.gz SHSFYFXCCBXVDG-UHFFFAOYSA-N 0 0 244.077 2.875 10 30 BFEERN N#CCCN(c1ncnc2ccsc21)C1CC1 ZINC000042549651 187776909 /nfs/dbraw/zinc/77/69/09/187776909.db2.gz CXMIWASFGUXLDF-UHFFFAOYSA-N 0 0 244.323 2.574 10 30 BFEERN C=CCCNc1cnn(Cc2ccccc2)c1 ZINC000307602531 352667844 /nfs/dbraw/zinc/66/78/44/352667844.db2.gz WTNNDPDUIKIPSW-UHFFFAOYSA-N 0 0 227.311 2.919 10 30 BFEERN CC=C=CC(=O)c1cc(Br)oc1C ZINC000307482818 352620077 /nfs/dbraw/zinc/62/00/77/352620077.db2.gz ZMDREYKFTXVTKQ-UHFFFAOYSA-N 0 0 241.084 2.947 10 30 BFEERN O=C(c1coc(Br)c1)C1=CCCO1 ZINC000307508445 352627306 /nfs/dbraw/zinc/62/73/06/352627306.db2.gz NJSUBHLTLKPHGQ-UHFFFAOYSA-N 0 0 243.056 2.529 10 30 BFEERN N#CC1(Nc2cccc(Br)c2)CC1 ZINC000232452370 352677945 /nfs/dbraw/zinc/67/79/45/352677945.db2.gz XBMYVQQZDPTVNX-UHFFFAOYSA-N 0 0 237.100 2.917 10 30 BFEERN C=CC(=O)c1cscc1Br ZINC000232485274 352746924 /nfs/dbraw/zinc/74/69/24/352746924.db2.gz YHBOREPSLIWDAY-UHFFFAOYSA-N 0 0 217.087 2.879 10 30 BFEERN C=C(C)C[C@@H](O)C(Cl)(Cl)Cl ZINC000005158309 187874702 /nfs/dbraw/zinc/87/47/02/187874702.db2.gz LWWJZSNCITZYEB-RXMQYKEDSA-N 0 0 203.496 2.684 10 30 BFEERN CC(C)CN=Nc1ccnc(Br)c1 ZINC000306151191 352984274 /nfs/dbraw/zinc/98/42/74/352984274.db2.gz HCSYPKUQODBHMK-WUXMJOGZSA-N 0 0 242.120 2.898 10 30 BFEERN C=C([C@@H](O)c1cccs1)C(F)(F)F ZINC000307693664 352965761 /nfs/dbraw/zinc/96/57/61/352965761.db2.gz XTEIVSWYIKRDDF-SSDOTTSWSA-N 0 0 208.204 2.900 10 30 BFEERN COC(=O)c1cccc(CS)c1Cl ZINC000307394893 353073528 /nfs/dbraw/zinc/07/35/28/353073528.db2.gz MSNHPAURXFBHPK-UHFFFAOYSA-N 0 0 216.689 2.556 10 30 BFEERN CCOC(=O)[C@@H]1O[C@]1(C)CCC(C)(C)C ZINC000308902738 538107343 /nfs/dbraw/zinc/10/73/43/538107343.db2.gz CLONSEXEJLHXHK-JOYOIKCWSA-N 0 0 214.305 2.533 10 30 BFEERN Cc1ccc([C@@]2(C#N)CCCOC2)cc1 ZINC000536950178 323952745 /nfs/dbraw/zinc/95/27/45/323952745.db2.gz LKBKVJMZKGFLJP-CYBMUJFWSA-N 0 0 201.269 2.567 10 30 BFEERN CO/N=C(/C)c1cc(Br)ccc1O ZINC000307723586 353111813 /nfs/dbraw/zinc/11/18/13/353111813.db2.gz VNPUJJSRYAWWSM-WDZFZDKYSA-N 0 0 244.088 2.525 10 30 BFEERN CN(c1ccc(Cl)cc1C#N)C1CC1 ZINC000052859567 353117725 /nfs/dbraw/zinc/11/77/25/353117725.db2.gz CCBUYCICCYEFEA-UHFFFAOYSA-N 0 0 206.676 2.810 10 30 BFEERN N#CC[C@@H]1CCC[C@H](c2nccs2)O1 ZINC000307709381 353102562 /nfs/dbraw/zinc/10/25/62/353102562.db2.gz MANOZJOIPVBYKF-DTWKUNHWSA-N 0 0 208.286 2.667 10 30 BFEERN N#C[C@H](C(=O)c1ccoc1)c1cccs1 ZINC000052902700 353131714 /nfs/dbraw/zinc/13/17/14/353131714.db2.gz SWMIXMUERVCACN-VIFPVBQESA-N 0 0 217.249 2.831 10 30 BFEERN C#CC(C)(C)Oc1c(Cl)cccc1C=O ZINC000232579578 353136340 /nfs/dbraw/zinc/13/63/40/353136340.db2.gz WACQWKFGOWRFFQ-UHFFFAOYSA-N 0 0 222.671 2.943 10 30 BFEERN CC=C=CC(=O)c1ccoc1Br ZINC000232655459 353153853 /nfs/dbraw/zinc/15/38/53/353153853.db2.gz DCWASCALFXHTKS-UHFFFAOYSA-N 0 0 227.057 2.638 10 30 BFEERN CC(=O)CCc1c[nH]c2cc(C#N)ccc12 ZINC000143013818 353156019 /nfs/dbraw/zinc/15/60/19/353156019.db2.gz JACSRPVZURUYNW-UHFFFAOYSA-N 0 0 212.252 2.561 10 30 BFEERN N#Cc1ccc(CN2CCCCCCC2=O)cc1 ZINC000019479507 188107705 /nfs/dbraw/zinc/10/77/05/188107705.db2.gz HXHULGGAWYNFBX-UHFFFAOYSA-N 0 0 242.322 2.851 10 30 BFEERN C/C(=N\O)c1ccccc1OCc1ccncc1 ZINC000019516567 188108039 /nfs/dbraw/zinc/10/80/39/188108039.db2.gz ZVIMOZWRJRLXQQ-LFIBNONCSA-N 0 0 242.278 2.859 10 30 BFEERN C/C(=N\O)c1ccccc1NC(=O)NC(C)(C)C ZINC000020257416 188108838 /nfs/dbraw/zinc/10/88/38/188108838.db2.gz VNWXBFOSJYJXPS-CXUHLZMHSA-N 0 0 249.314 2.805 10 30 BFEERN N#Cc1cc(NC[C@@H]2CCOC2)ccc1Cl ZINC000036973386 188113309 /nfs/dbraw/zinc/11/33/09/188113309.db2.gz QEVAPAZYXZJBMJ-VIFPVBQESA-N 0 0 236.702 2.660 10 30 BFEERN N#C[C@@]1(NCC2CC2)CCCc2ccccc21 ZINC000037946940 188115534 /nfs/dbraw/zinc/11/55/34/188115534.db2.gz MRXOSSHZAGFRNS-HNNXBMFYSA-N 0 0 226.323 2.741 10 30 BFEERN N#C[C@@]1(NCC(F)(F)F)CCc2ccccc21 ZINC000037971013 188115834 /nfs/dbraw/zinc/11/58/34/188115834.db2.gz BIZOLCKAJXCBSO-NSHDSACASA-N 0 0 240.228 2.504 10 30 BFEERN CC(C)N(CCC#N)c1ccc(F)cc1N ZINC000042528803 188121098 /nfs/dbraw/zinc/12/10/98/188121098.db2.gz ZSAJLQGTIMIWFF-UHFFFAOYSA-N 0 0 221.279 2.536 10 30 BFEERN N#CCCCCn1ccnc1-c1ccc(N)cc1 ZINC000049578607 188125102 /nfs/dbraw/zinc/12/51/02/188125102.db2.gz BVDNKLLWKNVWEM-UHFFFAOYSA-N 0 0 240.310 2.826 10 30 BFEERN COc1ccc(CC=O)c(Cl)c1Cl ZINC000082287347 188137437 /nfs/dbraw/zinc/13/74/37/188137437.db2.gz FCEWXVZILUGBBK-UHFFFAOYSA-N 0 0 219.067 2.743 10 30 BFEERN N#Cc1ccc(-c2nc3c(cccc3N)[nH]2)cc1 ZINC000104192117 188150263 /nfs/dbraw/zinc/15/02/63/188150263.db2.gz PZNQCSVIEDNJBH-UHFFFAOYSA-N 0 0 234.262 2.684 10 30 BFEERN C=C(C)C(=O)n1c(C)nc2ccccc21 ZINC000045238660 188152916 /nfs/dbraw/zinc/15/29/16/188152916.db2.gz ZVGRSWMVWLSLKI-UHFFFAOYSA-N 0 0 200.241 2.561 10 30 BFEERN CC(=O)/C=C/[C@H]1C(C)=CC(=O)CC1(C)C ZINC000033840091 188157397 /nfs/dbraw/zinc/15/73/97/188157397.db2.gz MLYOGKJJENFVJN-FYJFLYSWSA-N 0 0 206.285 2.693 10 30 BFEERN C=CCC1([C@@H](C)OC)COC(C(C)C)OC1 ZINC000002015471 188159428 /nfs/dbraw/zinc/15/94/28/188159428.db2.gz PULPVVBVJILRKY-PNESKVBLSA-N 0 0 228.332 2.613 10 30 BFEERN CC(C)(C)c1cnc(C#N)cc1OC1CC1 ZINC000095736447 188147029 /nfs/dbraw/zinc/14/70/29/188147029.db2.gz NFVPJRZGZBBXMK-UHFFFAOYSA-N 0 0 216.284 2.792 10 30 BFEERN C=CC(=O)CCCc1cccc(OC)c1 ZINC000034481135 188182757 /nfs/dbraw/zinc/18/27/57/188182757.db2.gz QREBEZZOILCJEP-UHFFFAOYSA-N 0 0 204.269 2.773 10 30 BFEERN C=C(C(OCC)OCC)[C@@H]1CCCC(=O)C1 ZINC000062722063 188185121 /nfs/dbraw/zinc/18/51/21/188185121.db2.gz AJXQMPSLGQHJCI-LLVKDONJSA-N 0 0 226.316 2.701 10 30 BFEERN C=C[C@@H]1CN(c2ccc3sccc3c2)C(=O)N1 ZINC000040443198 188215997 /nfs/dbraw/zinc/21/59/97/188215997.db2.gz SZAJCTUBIQVDIO-SNVBAGLBSA-N 0 0 244.319 2.986 10 30 BFEERN C=C1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000042750074 188217025 /nfs/dbraw/zinc/21/70/25/188217025.db2.gz FNRDFZBLWSYXJS-UHFFFAOYSA-N 0 0 211.305 2.964 10 30 BFEERN C=C[C@H]1NCCc2c(F)ccc(Cl)c21 ZINC000075748545 188221729 /nfs/dbraw/zinc/22/17/29/188221729.db2.gz FFKUCBMRYPKJJZ-SNVBAGLBSA-N 0 0 211.667 2.852 10 30 BFEERN C=CCN(C)C(=O)N[C@@H](C)c1ccccc1C ZINC000161132881 353277033 /nfs/dbraw/zinc/27/70/33/353277033.db2.gz PEIUHHZTSIKZPE-LBPRGKRZSA-N 0 0 232.327 2.883 10 30 BFEERN C=C[C@H](CC(=O)N[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000128262475 353286979 /nfs/dbraw/zinc/28/69/79/353286979.db2.gz NLOFOTXRCFTQED-OUCADQQQSA-N 0 0 229.323 2.871 10 30 BFEERN C=CCn1cnc(-c2cccc(C)c2)c1N ZINC000105032791 188225054 /nfs/dbraw/zinc/22/50/54/188225054.db2.gz QPPJYPUEMATCKN-UHFFFAOYSA-N 0 0 213.284 2.627 10 30 BFEERN CC#CCNC(=O)N[C@@H](C)c1ccc(C)c(F)c1 ZINC000135707288 538116508 /nfs/dbraw/zinc/11/65/08/538116508.db2.gz QJBHWMDHTUQJQU-NSHDSACASA-N 0 0 248.301 2.518 10 30 BFEERN CC(C)[C@@](C)(C#N)NCc1ccccc1 ZINC000037939349 188471328 /nfs/dbraw/zinc/47/13/28/188471328.db2.gz JTORIEIOMYLMRM-CYBMUJFWSA-N 0 0 202.301 2.714 10 30 BFEERN CC(C)(C)n1cc(C#N)c2cc([N+](=O)[O-])cnc21 ZINC000072322526 188490018 /nfs/dbraw/zinc/49/00/18/188490018.db2.gz YUXIWHIEGPTTDR-UHFFFAOYSA-N 0 0 244.254 2.571 10 30 BFEERN N#C[C@@H](c1ccccc1)[C@@]1(O)C=CCCC1 ZINC000075622836 188491336 /nfs/dbraw/zinc/49/13/36/188491336.db2.gz DEQPQRAGMKFEMU-UONOGXRCSA-N 0 0 213.280 2.765 10 30 BFEERN C=CC(=O)Cc1cc(Br)cs1 ZINC000232485020 353727773 /nfs/dbraw/zinc/72/77/73/353727773.db2.gz FWOVYLMWRCPIKV-UHFFFAOYSA-N 0 0 231.114 2.808 10 30 BFEERN C=C(Cl)CSc1ncccc1N ZINC000037191091 188506175 /nfs/dbraw/zinc/50/61/75/188506175.db2.gz NRFDPSGURNACKG-UHFFFAOYSA-N 0 0 200.694 2.508 10 30 BFEERN CCOc1cccc(C(=O)C[C@@H](C)C#N)c1 ZINC000043368349 188506235 /nfs/dbraw/zinc/50/62/35/188506235.db2.gz OYJWKIRGOGYRJX-SNVBAGLBSA-N 0 0 217.268 2.818 10 30 BFEERN N#CC1(C#N)C=CC(C(=O)c2ccccc2)=CC1 ZINC000095932597 181028019 /nfs/dbraw/zinc/02/80/19/181028019.db2.gz JFHYEJOGAZTBMN-UHFFFAOYSA-N 0 0 234.258 2.789 10 30 BFEERN N#CCC(=O)c1cc(C(F)(F)F)ccc1F ZINC000075903715 181034226 /nfs/dbraw/zinc/03/42/26/181034226.db2.gz YDZBPFUJAQAGFW-UHFFFAOYSA-N 0 0 231.148 2.941 10 30 BFEERN N#CCC(=O)c1cc(F)ccc1Br ZINC000019477803 181034354 /nfs/dbraw/zinc/03/43/54/181034354.db2.gz TVLQQEUSCKEWQW-UHFFFAOYSA-N 0 0 242.047 2.685 10 30 BFEERN N#CCCN(C1CC1)[C@H]1CCCCC[C@@H]1C#N ZINC000042531127 181037148 /nfs/dbraw/zinc/03/71/48/181037148.db2.gz ZKDPEYUTSNSQCN-OCCSQVGLSA-N 0 0 231.343 2.837 10 30 BFEERN N#CCc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000021987896 181047515 /nfs/dbraw/zinc/04/75/15/181047515.db2.gz VHRGXLUIOTZSQL-UHFFFAOYSA-N 0 0 231.038 2.968 10 30 BFEERN N#CCOc1ccc(NCc2ccc[nH]2)cc1 ZINC000051788052 181044253 /nfs/dbraw/zinc/04/42/53/181044253.db2.gz FBTIMIPYAZQQEF-UHFFFAOYSA-N 0 0 227.267 2.529 10 30 BFEERN N#CCc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC000165839408 181047382 /nfs/dbraw/zinc/04/73/82/181047382.db2.gz PWPJDTXRMDBUDD-UHFFFAOYSA-N 0 0 231.038 2.968 10 30 BFEERN N#CCc1nc2c(s1)Cc1ccccc1-2 ZINC000019802345 181049682 /nfs/dbraw/zinc/04/96/82/181049682.db2.gz ZWLPJKCGTJRCEE-UHFFFAOYSA-N 0 0 212.277 2.780 10 30 BFEERN N#C[C@@H](NCc1ccccc1)c1ccc(O)cc1 ZINC000037939429 181057274 /nfs/dbraw/zinc/05/72/74/181057274.db2.gz RZOUAIKGSNOAJG-OAHLLOKOSA-N 0 0 238.290 2.747 10 30 BFEERN N#C[C@@H](N)CCSc1cccc(Cl)c1 ZINC000062458535 181055985 /nfs/dbraw/zinc/05/59/85/181055985.db2.gz LTGPFRXFQZOFAA-VIFPVBQESA-N 0 0 226.732 2.673 10 30 BFEERN N#C[C@H](Cc1ccccc1)N1CCCCCC1 ZINC000038086139 181063468 /nfs/dbraw/zinc/06/34/68/181063468.db2.gz UJORXXCHGIVEBM-HNNXBMFYSA-N 0 0 228.339 2.997 10 30 BFEERN N#C[C@H](NCC1CC1)c1ccc(F)c(F)c1 ZINC000037946732 181065592 /nfs/dbraw/zinc/06/55/92/181065592.db2.gz FNFXKFRGRPUVIL-LBPRGKRZSA-N 0 0 222.238 2.529 10 30 BFEERN N#C[C@H](Nc1cccc(Cl)c1)[C@@H]1CCOC1 ZINC000037937233 181065672 /nfs/dbraw/zinc/06/56/72/181065672.db2.gz QEHNHNWTVIEXTE-SKDRFNHKSA-N 0 0 236.702 2.681 10 30 BFEERN N#C[C@H](NC1CCCCC1)c1cccc(O)c1 ZINC000037969411 181065955 /nfs/dbraw/zinc/06/59/55/181065955.db2.gz YJGJHFKSPSSEJJ-AWEZNQCLSA-N 0 0 230.311 2.879 10 30 BFEERN N#C[C@H](Nc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000037936019 181066180 /nfs/dbraw/zinc/06/61/80/181066180.db2.gz JRCBSRFFNCQCLA-SKDRFNHKSA-N 0 0 236.702 2.681 10 30 BFEERN N#C[C@@H]1CCCCC[C@H]1NCc1ccco1 ZINC000054824447 181058162 /nfs/dbraw/zinc/05/81/62/181058162.db2.gz XVGVVEYWPURLTQ-WCQYABFASA-N 0 0 218.300 2.842 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(F)cc1 ZINC000054824038 181059457 /nfs/dbraw/zinc/05/94/57/181059457.db2.gz NWOZUASYHXJRFT-AAEUAGOBSA-N 0 0 218.275 2.608 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1Nc1cccc(F)c1 ZINC000054823918 181059548 /nfs/dbraw/zinc/05/95/48/181059548.db2.gz NRAWQOHQVPSNHA-CABZTGNLSA-N 0 0 204.248 2.930 10 30 BFEERN N#C[C@@H]1CN1C(=O)Nc1cccc2ccccc21 ZINC000027559615 181061036 /nfs/dbraw/zinc/06/10/36/181061036.db2.gz WTPBNYGXGYMXNL-VCQTYVLVSA-N 0 0 237.262 2.579 10 30 in-vivo BFEERN N#C[C@H](C(=O)c1ccncc1)c1ccccc1 ZINC000005488919 181062807 /nfs/dbraw/zinc/06/28/07/181062807.db2.gz LEGNMYSJXBLEAG-ZDUSSCGKSA-N 0 0 222.247 2.572 10 30 BFEERN N#Cc1c(F)c(F)c(C#N)c(Cl)c1F ZINC000005112498 181074717 /nfs/dbraw/zinc/07/47/17/181074717.db2.gz FWKGAQNOJROOTN-UHFFFAOYSA-N 0 0 216.549 2.501 10 30 BFEERN N#C[C@]1(NCc2cccs2)CCCSC1 ZINC000061590374 181071467 /nfs/dbraw/zinc/07/14/67/181071467.db2.gz YALBCJUSISIAQI-LLVKDONJSA-N 0 0 238.381 2.627 10 30 BFEERN N#Cc1c(N)occ1-c1ccc(F)cc1 ZINC000033464730 181071599 /nfs/dbraw/zinc/07/15/99/181071599.db2.gz ICELRDKPQLVDNP-UHFFFAOYSA-N 0 0 202.188 2.540 10 30 BFEERN N#Cc1c(Cl)cccc1NCc1cc[nH]n1 ZINC000052904157 181073791 /nfs/dbraw/zinc/07/37/91/181073791.db2.gz KFYNWXWTKQIILE-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN N#Cc1c(Cl)sc(Cl)c1C#N ZINC000075602942 181074608 /nfs/dbraw/zinc/07/46/08/181074608.db2.gz CWVXFZYDTGXMCO-UHFFFAOYSA-N 0 0 203.053 2.798 10 30 BFEERN N#C[C@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000299805436 181069523 /nfs/dbraw/zinc/06/95/23/181069523.db2.gz OGGUKHNMUMQBLY-AWEZNQCLSA-N 0 0 226.323 2.812 10 30 BFEERN CC(C)[C@H](C#N)C(=O)[C@H]1CCC(F)(F)C1 ZINC000301023047 363334649 /nfs/dbraw/zinc/33/46/49/363334649.db2.gz QQMRIBOZNZPYKW-IUCAKERBSA-N 0 0 215.243 2.787 10 30 BFEERN N#Cc1cc(-c2ncccc2O)ccc1Cl ZINC000065339335 181081592 /nfs/dbraw/zinc/08/15/92/181081592.db2.gz PTEYVIQGXFXFKX-UHFFFAOYSA-N 0 0 230.654 2.979 10 30 BFEERN N#Cc1cc(-c2ccc(Br)cc2)[nH]n1 ZINC000032103448 181080420 /nfs/dbraw/zinc/08/04/20/181080420.db2.gz VPIDCBFZMCVMRM-UHFFFAOYSA-N 0 0 248.083 2.711 10 30 BFEERN N#Cc1cc(-c2cccc(=O)[nH]2)ccc1Cl ZINC000065339340 181080582 /nfs/dbraw/zinc/08/05/82/181080582.db2.gz GBUSVPXTNNCOFY-UHFFFAOYSA-N 0 0 230.654 2.567 10 30 BFEERN N#Cc1cc(-c2cccc(Cl)c2)on1 ZINC000040175374 181080817 /nfs/dbraw/zinc/08/08/17/181080817.db2.gz RMSVTKJQDXLUSX-UHFFFAOYSA-N 0 0 204.616 2.867 10 30 BFEERN N#Cc1cc2cccc(F)c2nc1Cl ZINC000011985174 181093955 /nfs/dbraw/zinc/09/39/55/181093955.db2.gz TWICIRPDFWXDHZ-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN N#Cc1ccc(-c2cc3c(c(C=O)c2)OCC3)cc1 ZINC000090567161 181094191 /nfs/dbraw/zinc/09/41/91/181094191.db2.gz LZFWCDUSLMIXCQ-UHFFFAOYSA-N 0 0 249.269 2.973 10 30 BFEERN N#Cc1cc(N)ccc1OCc1cccs1 ZINC000042372620 181088945 /nfs/dbraw/zinc/08/89/45/181088945.db2.gz KETDNVUXAWGMSL-UHFFFAOYSA-N 0 0 230.292 2.781 10 30 BFEERN N#Cc1cc(N)ccc1NCC1CCCC1 ZINC000041020782 181089655 /nfs/dbraw/zinc/08/96/55/181089655.db2.gz ARVPWTWLCBABAU-UHFFFAOYSA-N 0 0 215.300 2.743 10 30 BFEERN N#Cc1cc(N)cnc1Oc1ccc(Cl)cc1 ZINC000037759257 181089983 /nfs/dbraw/zinc/08/99/83/181089983.db2.gz MCPMDKZFNUMPOX-UHFFFAOYSA-N 0 0 245.669 2.981 10 30 BFEERN N#Cc1cc(N)cnc1Nc1c(F)cccc1F ZINC000037759020 181090163 /nfs/dbraw/zinc/09/01/63/181090163.db2.gz OCZYFSYYAQWCKF-UHFFFAOYSA-N 0 0 246.220 2.557 10 30 BFEERN N#Cc1cc(N[C@@H]2CCSC2)ccc1F ZINC000051635135 181091945 /nfs/dbraw/zinc/09/19/45/181091945.db2.gz DSKSRUYFJMSOHE-SNVBAGLBSA-N 0 0 222.288 2.615 10 30 BFEERN N#Cc1cc(OCCc2cccs2)ccn1 ZINC000061815449 181092391 /nfs/dbraw/zinc/09/23/91/181092391.db2.gz MLWSXKZTSUKTPJ-UHFFFAOYSA-N 0 0 230.292 2.636 10 30 BFEERN N#Cc1cc2[nH]ccc2cc1Br ZINC000216007016 181092611 /nfs/dbraw/zinc/09/26/11/181092611.db2.gz HDZRTSRDAYQVQJ-UHFFFAOYSA-N 0 0 221.057 2.802 10 30 BFEERN N#Cc1cc2c(F)cccc2nc1Cl ZINC000098179344 181093348 /nfs/dbraw/zinc/09/33/48/181093348.db2.gz OQCJDWXKMABUNK-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN N#Cc1ccc(C[C@@H](O)c2ccccc2)cc1 ZINC000082291169 181111152 /nfs/dbraw/zinc/11/11/52/181111152.db2.gz DWCFOSMLLJNOML-OAHLLOKOSA-N 0 0 223.275 2.834 10 30 BFEERN N#Cc1ccc(COCC2CCOCC2)cc1 ZINC000052154167 181110662 /nfs/dbraw/zinc/11/06/62/181110662.db2.gz MBSVHCOOZKFPSV-UHFFFAOYSA-N 0 0 231.295 2.501 10 30 BFEERN N#Cc1ccc(COc2cc(F)ccc2N)cc1 ZINC000019405678 181110872 /nfs/dbraw/zinc/11/08/72/181110872.db2.gz IMEIZLUAGUGGOP-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#Cc1ccc(CSc2ncccc2N)cc1 ZINC000037191037 181110949 /nfs/dbraw/zinc/11/09/49/181110949.db2.gz STRACFQOEIYJPG-UHFFFAOYSA-N 0 0 241.319 2.828 10 30 BFEERN N#Cc1ccc(Cl)cc1NCc1cncnc1 ZINC000054767375 181111624 /nfs/dbraw/zinc/11/16/24/181111624.db2.gz DILOKIUMCKACNC-UHFFFAOYSA-N 0 0 244.685 2.614 10 30 BFEERN N#Cc1ccc(N2C[C@H]3CCCCC[C@@H]32)nc1 ZINC000374190179 181117503 /nfs/dbraw/zinc/11/75/03/181117503.db2.gz PFXGKLJJCXONAF-OLZOCXBDSA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1ccc(NCc2cncnc2)cc1Cl ZINC000054767232 181124823 /nfs/dbraw/zinc/12/48/23/181124823.db2.gz SWDRGPGJGMVYKJ-UHFFFAOYSA-N 0 0 244.685 2.614 10 30 BFEERN N#Cc1ccc(OCCCc2ccncc2)cc1 ZINC000034958541 181127337 /nfs/dbraw/zinc/12/73/37/181127337.db2.gz SOMSHOKPJZWELE-UHFFFAOYSA-N 0 0 238.290 2.965 10 30 BFEERN N#Cc1cccc(-c2cn(-c3ccccn3)cn2)c1 ZINC000013582326 181133705 /nfs/dbraw/zinc/13/37/05/181133705.db2.gz IVWWFFMAUZALFG-UHFFFAOYSA-N 0 0 246.273 2.806 10 30 BFEERN N#Cc1cccc(-c2cnnc(Cl)c2)c1 ZINC000137001125 181133720 /nfs/dbraw/zinc/13/37/20/181133720.db2.gz SRQVKMPBIXKXLN-UHFFFAOYSA-N 0 0 215.643 2.669 10 30 BFEERN N#Cc1cccc(C#Cc2csc(F)n2)c1 ZINC000066074038 181134356 /nfs/dbraw/zinc/13/43/56/181134356.db2.gz NJODZQDZRIFTHQ-UHFFFAOYSA-N 0 0 228.251 2.554 10 30 BFEERN N#Cc1cccc(C#Cc2cccc(N)c2)c1 ZINC000037547762 181134544 /nfs/dbraw/zinc/13/45/44/181134544.db2.gz RYCSZHVLRNMBDF-UHFFFAOYSA-N 0 0 218.259 2.540 10 30 BFEERN N#Cc1ccc([C@@H](O)c2ccsc2)cc1 ZINC000111874527 181130678 /nfs/dbraw/zinc/13/06/78/181130678.db2.gz TUTYVGLLPKEZIO-GFCCVEGCSA-N 0 0 215.277 2.701 10 30 BFEERN N#Cc1ccc2c(Cl)nnc(Cl)c2c1 ZINC000039150202 181131354 /nfs/dbraw/zinc/13/13/54/181131354.db2.gz FRJDQOMCKHDEJQ-UHFFFAOYSA-N 0 0 224.050 2.808 10 30 BFEERN N#Cc1ccc2c(c1)C[C@H](c1cccnc1)O2 ZINC000022003061 181132390 /nfs/dbraw/zinc/13/23/90/181132390.db2.gz JYCXYHOBYUAJHH-CQSZACIVSA-N 0 0 222.247 2.629 10 30 BFEERN N#Cc1cccc(OCc2ccc(N)cc2)c1 ZINC000019262873 181142933 /nfs/dbraw/zinc/14/29/33/181142933.db2.gz BUGMBGMELOGNFJ-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN N#Cc1cccc2c1ccn2Cc1ccccn1 ZINC000020534361 181144144 /nfs/dbraw/zinc/14/41/44/181144144.db2.gz BMXQNKNRCOAGDH-UHFFFAOYSA-N 0 0 233.274 2.956 10 30 BFEERN N#Cc1ccccc1/N=C1\C(=O)Nc2ccccc21 ZINC000012341453 181144175 /nfs/dbraw/zinc/14/41/75/181144175.db2.gz NZIBFVZFAJNYQB-UHFFFAOYSA-N 0 0 247.257 2.631 10 30 BFEERN N#Cc1ccccc1Cn1ncc2cc(N)ccc21 ZINC000075944924 181146741 /nfs/dbraw/zinc/14/67/41/181146741.db2.gz LASWXXWVELPGHF-UHFFFAOYSA-N 0 0 248.289 2.538 10 30 BFEERN N#Cc1ccccc1COc1cc(F)ccc1N ZINC000019396566 181147089 /nfs/dbraw/zinc/14/70/89/181147089.db2.gz UBIUWKNUUDCGTE-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#Cc1ccccc1NC(=O)C1(C#N)CCCC1 ZINC000044764955 181147813 /nfs/dbraw/zinc/14/78/13/181147813.db2.gz QFYQFJALMBCJJL-UHFFFAOYSA-N 0 0 239.278 2.581 10 30 BFEERN N#Cc1ccccc1NC[C@@H](O)c1cccs1 ZINC000037879041 181147823 /nfs/dbraw/zinc/14/78/23/181147823.db2.gz RCVMGQUNCZYSPN-GFCCVEGCSA-N 0 0 244.319 2.765 10 30 BFEERN N#Cc1ccccc1NCc1ccc(O)cc1 ZINC000019921323 181148940 /nfs/dbraw/zinc/14/89/40/181148940.db2.gz ODPWEYKCYAPFLT-UHFFFAOYSA-N 0 0 224.263 2.876 10 30 BFEERN N#Cc1ccccc1NCc1ccccc1O ZINC000019921470 181149301 /nfs/dbraw/zinc/14/93/01/181149301.db2.gz MFQQQFABVHBBIZ-UHFFFAOYSA-N 0 0 224.263 2.876 10 30 BFEERN N#Cc1cccnc1OCCc1ccccc1 ZINC000034958246 181154033 /nfs/dbraw/zinc/15/40/33/181154033.db2.gz ILUJVRHUKOLKKC-UHFFFAOYSA-N 0 0 224.263 2.575 10 30 BFEERN N#Cc1ccnc(N2CCC[C@H]2C2CCCC2)n1 ZINC000231899975 181155923 /nfs/dbraw/zinc/15/59/23/181155923.db2.gz CPNGUMQYRVQFJF-ZDUSSCGKSA-N 0 0 242.326 2.507 10 30 BFEERN C#CC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 ZINC000405721416 354961424 /nfs/dbraw/zinc/96/14/24/354961424.db2.gz NZNNAEZAKFVSQZ-UHFFFAOYSA-N 0 0 245.278 2.850 10 30 BFEERN N#Cc1nccc(OC2CC2)c1C(F)(F)F ZINC000095736587 181170273 /nfs/dbraw/zinc/17/02/73/181170273.db2.gz TXAGOFCHGOWAAO-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN N#Cc1ncccc1CNc1cccc(F)c1F ZINC000061657910 181170374 /nfs/dbraw/zinc/17/03/74/181170374.db2.gz JPUNKXDMTFCWSU-UHFFFAOYSA-N 0 0 245.232 2.844 10 30 BFEERN N#Cc1sc(-c2ccc3c(c2)COC3)cc1N ZINC000104206027 181177349 /nfs/dbraw/zinc/17/73/49/181177349.db2.gz VGFKAOKOPJZVFD-UHFFFAOYSA-N 0 0 242.303 2.899 10 30 BFEERN Cc1cc(N[C@@H]2C[C@@H]2C)c(C#N)cc1[N+](=O)[O-] ZINC000413120842 191358184 /nfs/dbraw/zinc/35/81/84/191358184.db2.gz SNGFDPWPMXIQPK-OIBJUYFYSA-N 0 0 231.255 2.595 10 30 BFEERN N/C(=N\O)c1ccccc1Oc1ccc(F)cc1 ZINC000020076278 181181346 /nfs/dbraw/zinc/18/13/46/181181346.db2.gz GXPODLPHCZCXOK-UHFFFAOYSA-N 0 0 246.241 2.713 10 30 BFEERN N/C(=N\O)c1ccc(Oc2cccc(F)c2)cc1 ZINC000019866051 181181721 /nfs/dbraw/zinc/18/17/21/181181721.db2.gz ZNHJMIXTYWDPBT-UHFFFAOYSA-N 0 0 246.241 2.713 10 30 BFEERN N/C(=N\O)c1ccc(Oc2ccc(F)cc2)cc1 ZINC000019866025 181181786 /nfs/dbraw/zinc/18/17/86/181181786.db2.gz VWNIJEWYIUNZTA-UHFFFAOYSA-N 0 0 246.241 2.713 10 30 BFEERN N/C(CCCO[C@H]1CCCc2ccccc21)=N\O ZINC000019475489 181182653 /nfs/dbraw/zinc/18/26/53/181182653.db2.gz ZYOPOKGOKJUXCX-ZDUSSCGKSA-N 0 0 248.326 2.607 10 30 BFEERN N/C(CCCSc1ccc(Cl)cc1)=N\O ZINC000019847688 181183157 /nfs/dbraw/zinc/18/31/57/181183157.db2.gz IONHKZOYOUOZEX-UHFFFAOYSA-N 0 0 244.747 2.959 10 30 BFEERN ON=Cc1csc(-c2ccsc2)n1 ZINC000308355723 355374402 /nfs/dbraw/zinc/37/44/02/355374402.db2.gz AXQBSQKXYAXCSJ-UHFFFAOYSA-N 0 0 210.283 2.680 10 30 BFEERN C=C[C@](C)(CC[C@@H]1O[C@@]1(C)CC)OC(C)=O ZINC000005955005 355361747 /nfs/dbraw/zinc/36/17/47/355361747.db2.gz ZQIIAKHOIHRGSM-XQQFMLRXSA-N 0 0 226.316 2.842 10 30 BFEERN CC1(C)CCCN(C2=CC(=O)CC2)CC1 ZINC000160248456 355698021 /nfs/dbraw/zinc/69/80/21/355698021.db2.gz DUKUKJQZCKFCQK-UHFFFAOYSA-N 0 0 207.317 2.745 10 30 BFEERN CC[C@H]1CCCCCN1C1=CC(=O)CC1 ZINC000160269068 355773024 /nfs/dbraw/zinc/77/30/24/355773024.db2.gz QXAGAGZWRZGQEY-NSHDSACASA-N 0 0 207.317 2.888 10 30 BFEERN C#CC[C@H](O)c1ccc(C)cc1Br ZINC000129701851 355883930 /nfs/dbraw/zinc/88/39/30/355883930.db2.gz STZVNFNXVALQPJ-NSHDSACASA-N 0 0 239.112 2.814 10 30 BFEERN C=CCOCc1cncc(Br)c1 ZINC000072191282 166420059 /nfs/dbraw/zinc/42/00/59/166420059.db2.gz CDWBUUSNGYFTBN-UHFFFAOYSA-N 0 0 228.089 2.547 10 30 BFEERN N#Cc1ccc(C(=O)COc2ccccc2)cc1 ZINC000035224920 356420185 /nfs/dbraw/zinc/42/01/85/356420185.db2.gz GKNOXBDLMVRMHS-UHFFFAOYSA-N 0 0 237.258 2.820 10 30 BFEERN N#Cc1ccccc1C#Cc1ccccc1 ZINC000002245486 356630469 /nfs/dbraw/zinc/63/04/69/356630469.db2.gz OBWIZHHYPZTWPM-UHFFFAOYSA-N 0 0 203.244 2.958 10 30 BFEERN C=CCCC[C@H](C#N)NC(=O)OC(C)(C)C ZINC000675050954 538473371 /nfs/dbraw/zinc/47/33/71/538473371.db2.gz DDOSOFYHHMMAPK-SNVBAGLBSA-N 0 0 224.304 2.760 10 30 BFEERN CC(=O)C1=Cc2c(F)c(Cl)ccc2OC1 ZINC000675063492 538490225 /nfs/dbraw/zinc/49/02/25/538490225.db2.gz GJRHUYWBAUZTAC-UHFFFAOYSA-N 0 0 226.634 2.844 10 30 BFEERN Cc1cccc(-c2cnn3cccnc23)c1C#N ZINC000675072834 538504224 /nfs/dbraw/zinc/50/42/24/538504224.db2.gz MZVCHYVZOHNUSS-UHFFFAOYSA-N 0 0 234.262 2.576 10 30 BFEERN C#Cc1ccccc1NC(=O)CC(C)C ZINC000675078330 538515329 /nfs/dbraw/zinc/51/53/29/538515329.db2.gz DSVSUTLETUISGV-UHFFFAOYSA-N 0 0 201.269 2.653 10 30 BFEERN C#Cc1ccccc1NC(=O)[C@H](C)C(C)C ZINC000675078791 538516295 /nfs/dbraw/zinc/51/62/95/538516295.db2.gz LTAPVNZNTZNUPL-LLVKDONJSA-N 0 0 215.296 2.899 10 30 BFEERN CC[C@@H]1CC[C@@]2(C1)O[C@@]2(C(=O)OC)C(C)C ZINC000086182507 538550141 /nfs/dbraw/zinc/55/01/41/538550141.db2.gz SBXSFMDMOAKLPG-KGYLQXTDSA-N 0 0 226.316 2.533 10 30 BFEERN CCCC[C@]1(CC)O[C@@]1(C(=O)OC)C(C)C ZINC000086182735 538551752 /nfs/dbraw/zinc/55/17/52/538551752.db2.gz DFNVYJRYTLKSGD-QWHCGFSZSA-N 0 0 228.332 2.923 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@@]1(C)CCC(C)C ZINC000086166057 538552191 /nfs/dbraw/zinc/55/21/91/538552191.db2.gz ZHLFAXDILTUUCC-STQMWFEESA-N 0 0 228.332 2.923 10 30 BFEERN CCOC(=O)[C@@H]1O[C@@]1(CC)C[C@@H](C)CC ZINC000084324722 538530135 /nfs/dbraw/zinc/53/01/35/538530135.db2.gz OSHVBIZRLZFXBK-NHCYSSNCSA-N 0 0 214.305 2.533 10 30 BFEERN COC(=O)[C@@]1(C(C)C)O[C@@]12CCC(C)(C)C2 ZINC000087770713 538569550 /nfs/dbraw/zinc/56/95/50/538569550.db2.gz PBDIIRGDFCRJND-CHWSQXEVSA-N 0 0 226.316 2.533 10 30 BFEERN CCC[C@]1(C2CCCC2)O[C@]1(Cl)C(=O)OC ZINC000313408143 538578671 /nfs/dbraw/zinc/57/86/71/538578671.db2.gz CWXWMMSVIJNDDT-VXGBXAGGSA-N 0 0 246.734 2.854 10 30 BFEERN CCC[C@]1(C2CCCC2)O[C@@]1(Cl)C(=O)OC ZINC000313408137 538579130 /nfs/dbraw/zinc/57/91/30/538579130.db2.gz CWXWMMSVIJNDDT-NEPJUHHUSA-N 0 0 246.734 2.854 10 30 BFEERN CC[C@@H]1CC[C@]2(C1)O[C@]2(C(=O)OC)C(C)C ZINC000227251812 538616783 /nfs/dbraw/zinc/61/67/83/538616783.db2.gz SBXSFMDMOAKLPG-RTXFEEFZSA-N 0 0 226.316 2.533 10 30 BFEERN C[C@H](C#N)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248806227 356803208 /nfs/dbraw/zinc/80/32/08/356803208.db2.gz RKWBTIXWRZNXPK-RKDXNWHRSA-N 0 0 234.265 2.809 10 30 BFEERN C=CCCC(=O)c1cccc(N(C)C)c1 ZINC000160430694 356964260 /nfs/dbraw/zinc/96/42/60/356964260.db2.gz QREAIVXVGVBUHK-UHFFFAOYSA-N 0 0 203.285 2.902 10 30 BFEERN C#CC(=O)c1cc(C)cc(Br)c1 ZINC000168755858 357219328 /nfs/dbraw/zinc/21/93/28/357219328.db2.gz INIVYVLDUKJIJT-UHFFFAOYSA-N 0 0 223.069 2.573 10 30 BFEERN N#CCC1CC(OCc2ccccc2)C1 ZINC000218563261 357272226 /nfs/dbraw/zinc/27/22/26/357272226.db2.gz KDHCQHWJIJPVQW-UHFFFAOYSA-N 0 0 201.269 2.895 10 30 BFEERN O=[N+]([O-])c1ccc(C#CC(F)(F)F)cc1 ZINC000136886582 538865140 /nfs/dbraw/zinc/86/51/40/538865140.db2.gz IWZPXBRMUFWHHZ-UHFFFAOYSA-N 0 0 215.130 2.509 10 30 BFEERN C#C[C@@H](NC)c1cc(C)ccc1Br ZINC000130110411 357659600 /nfs/dbraw/zinc/65/96/00/357659600.db2.gz OSJJQQNMOBFINK-LLVKDONJSA-N 0 0 238.128 2.651 10 30 BFEERN C=CCCC[C@H](C)NC(=O)[C@H]1CCCO[C@@H]1C ZINC000190016779 357687337 /nfs/dbraw/zinc/68/73/37/357687337.db2.gz SXMYSMYAMIWUIM-XQQFMLRXSA-N 0 0 239.359 2.663 10 30 BFEERN CCN(CCC#N)c1cccc(F)c1[C@@H](C)O ZINC000042450941 169816662 /nfs/dbraw/zinc/81/66/62/169816662.db2.gz YGOWFSZNRAWAER-SNVBAGLBSA-N 0 0 236.290 2.619 10 30 BFEERN CC[N@@H+]1CCC[C@H](Nc2ccc(F)cc2C#N)C1 ZINC000104186727 358213275 /nfs/dbraw/zinc/21/32/75/358213275.db2.gz LBHPVWKGRKVKAB-ZDUSSCGKSA-N 0 0 247.317 2.594 10 30 BFEERN C=CC/C(C(N)=O)=C(/Cl)c1ccccc1 ZINC000584611272 358275170 /nfs/dbraw/zinc/27/51/70/358275170.db2.gz XGPNWQCWQQXLKT-KHPPLWFESA-N 0 0 221.687 2.698 10 30 BFEERN O=C1CCSC/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000584611062 358275250 /nfs/dbraw/zinc/27/52/50/358275250.db2.gz BRTPPBVTISVPDI-UXBLZVDNSA-N 0 0 249.291 2.684 10 30 BFEERN CCCCCCC[C@@H](/C=C\CO)OC ZINC000584612014 358275583 /nfs/dbraw/zinc/27/55/83/358275583.db2.gz YWHZJCVGCHJJAE-CUZBXDDWSA-N 0 0 200.322 2.910 10 30 BFEERN C=CC[C@@H](OC)c1ccccc1[N+](=O)[O-] ZINC000584612749 358276318 /nfs/dbraw/zinc/27/63/18/358276318.db2.gz JAUPBRFSVUDMEX-LLVKDONJSA-N 0 0 207.229 2.858 10 30 BFEERN C=CCc1cc(F)ccc1-n1cccn1 ZINC000584613033 358277050 /nfs/dbraw/zinc/27/70/50/358277050.db2.gz MSVSPKKFRZMAEF-UHFFFAOYSA-N 0 0 202.232 2.740 10 30 BFEERN O/N=C1\c2ccccc2[C@@H]2CCCCC[C@@]12O ZINC000584591838 358250439 /nfs/dbraw/zinc/25/04/39/358250439.db2.gz VLRBSNYJLWPMTI-OJFADLDKSA-N 0 0 231.295 2.657 10 30 BFEERN O=CCCCCCCc1cccc(O)c1O ZINC000584595230 358252685 /nfs/dbraw/zinc/25/26/85/358252685.db2.gz STNOAKOQUZLMBL-UHFFFAOYSA-N 0 0 222.284 2.790 10 30 BFEERN CC(C)(C#N)[C@](O)(c1ccc(F)cc1)C1CC1 ZINC000584596269 358253967 /nfs/dbraw/zinc/25/39/67/358253967.db2.gz KEUZLYWAEIREMT-CQSZACIVSA-N 0 0 233.286 2.973 10 30 BFEERN C=C[C@](O)(CCC)c1ccc(OC)cc1 ZINC000584596158 358254014 /nfs/dbraw/zinc/25/40/14/358254014.db2.gz UVWLQBFWNOTSKP-ZDUSSCGKSA-N 0 0 206.285 2.869 10 30 BFEERN C#C[C@](O)(c1ccc(C)cc1)C1(C#N)CCC1 ZINC000584600488 358257066 /nfs/dbraw/zinc/25/70/66/358257066.db2.gz MZCNGKFYQISXBG-HNNXBMFYSA-N 0 0 225.291 2.510 10 30 BFEERN C#C[C@](OC)(c1ccccc1)C1(C#N)CCC1 ZINC000584600398 358257146 /nfs/dbraw/zinc/25/71/46/358257146.db2.gz KSCXQWWXXWSEGK-HNNXBMFYSA-N 0 0 225.291 2.855 10 30 BFEERN C=CC[C@@H](Cc1ccccc1)NC(=O)OCC ZINC000584600859 358257784 /nfs/dbraw/zinc/25/77/84/358257784.db2.gz IBCRCBOSNDNPKO-ZDUSSCGKSA-N 0 0 233.311 2.920 10 30 BFEERN CC(C)(C)N(CC=O)C(=O)OCc1ccccc1 ZINC000584600879 358257808 /nfs/dbraw/zinc/25/78/08/358257808.db2.gz LERXJBCSEWOZFU-UHFFFAOYSA-N 0 0 249.310 2.623 10 30 BFEERN CC[C@H](CCc1ccccc1)N=C(C)NC#N ZINC000584601639 358258757 /nfs/dbraw/zinc/25/87/57/358258757.db2.gz GNEUURKJNVBHBJ-CQSZACIVSA-N 0 0 229.327 2.887 10 30 BFEERN CC(=NC#N)N[C@@H](c1ccccc1)C(C)C ZINC000584601942 358259354 /nfs/dbraw/zinc/25/93/54/358259354.db2.gz SUIXXVAUNLTRNN-CYBMUJFWSA-N 0 0 215.300 2.873 10 30 BFEERN C#C[C@@](OC)(c1ccc(F)cc1)C1(C#N)CC1 ZINC000584603489 358261846 /nfs/dbraw/zinc/26/18/46/358261846.db2.gz ZAYPXYCDEUTFBS-CQSZACIVSA-N 0 0 229.254 2.604 10 30 BFEERN N#CC[C@H]1C[C@@H]1COCc1ccccc1 ZINC000584603386 358261877 /nfs/dbraw/zinc/26/18/77/358261877.db2.gz SGXGTCVUGCIZRE-QWHCGFSZSA-N 0 0 201.269 2.753 10 30 BFEERN CCCCCC(=O)C([N+]#N)=C([O-])OCC ZINC000584603324 358261900 /nfs/dbraw/zinc/26/19/00/358261900.db2.gz WUGFWCXCLNVLJN-UHFFFAOYSA-O 0 0 213.257 2.752 10 30 BFEERN COC([O-])=C([N+]#N)C(=O)C=Cc1ccc(F)cc1 ZINC000584606371 358265532 /nfs/dbraw/zinc/26/55/32/358265532.db2.gz SMJIZBCDRLXUGP-QPJJXVBHSA-O 0 0 249.221 2.635 10 30 BFEERN C=C(C(=O)OC)[C@H](F)c1cccc(C)c1 ZINC000584606756 358266558 /nfs/dbraw/zinc/26/65/58/358266558.db2.gz NALCGSTUUCZNSS-NSHDSACASA-N 0 0 208.232 2.735 10 30 BFEERN O=C(/C=C/C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000584609677 358271262 /nfs/dbraw/zinc/27/12/62/358271262.db2.gz OEXCXXIWKAXXLO-AATRIKPKSA-N 0 0 245.156 2.896 10 30 BFEERN CC/C=C/c1cc2c(cc1C#N)OCO2 ZINC000584610068 358272559 /nfs/dbraw/zinc/27/25/59/358272559.db2.gz NKGMHERJONONEF-ONEGZZNKSA-N 0 0 201.225 2.710 10 30 BFEERN O=Cc1ccccc1C#Cc1ccsc1 ZINC000584623940 358291605 /nfs/dbraw/zinc/29/16/05/358291605.db2.gz CQJJEZOMDWFOGP-UHFFFAOYSA-N 0 0 212.273 2.960 10 30 BFEERN COc1ccccc1S[C@H](C)CC=O ZINC000584630528 358300448 /nfs/dbraw/zinc/30/04/48/358300448.db2.gz OLOKQVSJKHAXIC-SECBINFHSA-N 0 0 210.298 2.765 10 30 BFEERN CC(C)N(O)C(=O)c1ccc(Cl)cc1 ZINC000584652077 358306866 /nfs/dbraw/zinc/30/68/66/358306866.db2.gz FIPOWOFAPHVPKD-UHFFFAOYSA-N 0 0 213.664 2.580 10 30 BFEERN O=C1C(Cl)=C(Cl)C(F)(F)C1(F)F ZINC000584656814 358308441 /nfs/dbraw/zinc/30/84/41/358308441.db2.gz GTWAPVNSBSUMOO-UHFFFAOYSA-N 0 0 222.952 2.529 10 30 BFEERN CC(=O)/C(Br)=C(\C)CCC#N ZINC000584657540 358309411 /nfs/dbraw/zinc/30/94/11/358309411.db2.gz ZSAXJJBHFVZWAY-VURMDHGXSA-N 0 0 216.078 2.548 10 30 BFEERN CCC(/C=C1\C(=O)C2CCN1CC2)CC ZINC000584660174 358311898 /nfs/dbraw/zinc/31/18/98/358311898.db2.gz NEKXLIMKTUTDOQ-FMIVXFBMSA-N 0 0 207.317 2.601 10 30 BFEERN N#CC1=NNN[C@@H]1c1cccc2ccccc21 ZINC000584617226 358282257 /nfs/dbraw/zinc/28/22/57/358282257.db2.gz RDGPYFQYXAZHST-CHWSQXEVSA-N 0 0 222.251 2.743 10 30 BFEERN CN(C)/C=C1\C(=O)CC[C@@H]1c1ccc(F)cc1 ZINC000584644563 358329124 /nfs/dbraw/zinc/32/91/24/358329124.db2.gz CCEZDQFNAKQHBH-FNWMBBJUSA-N 0 0 233.286 2.718 10 30 BFEERN N#C[C@@H](CC1(F)CC1)c1cnc(C(F)F)nc1 ZINC000584647359 358332061 /nfs/dbraw/zinc/33/20/61/358332061.db2.gz PKXAAPQYHIYTBR-SSDOTTSWSA-N 0 0 241.216 2.914 10 30 BFEERN N#Cc1ccc(C#CC(F)=C(F)F)cc1 ZINC000584633456 358317060 /nfs/dbraw/zinc/31/70/60/358317060.db2.gz MZQMMVATJKXSDA-UHFFFAOYSA-N 0 0 207.154 2.987 10 30 BFEERN CCOP(=O)(OCC)[C@H]1CC(C)=CC1=O ZINC000584636746 358321659 /nfs/dbraw/zinc/32/16/59/358321659.db2.gz ZHEVAXRQOOCOFD-JTQLQIEISA-N 0 0 232.216 2.540 10 30 BFEERN C=CC[C@@H](CC=O)COCc1ccccc1 ZINC000584639058 358324439 /nfs/dbraw/zinc/32/44/39/358324439.db2.gz XKAVZDMZDDRSRI-ZDUSSCGKSA-N 0 0 218.296 2.985 10 30 BFEERN O=C[C@H]1c2ccccc2[C@@H](C=O)c2ccccc21 ZINC000584640636 358326702 /nfs/dbraw/zinc/32/67/02/358326702.db2.gz KNHHFDCLCNKUBD-IYBDPMFKSA-N 0 0 236.270 2.662 10 30 BFEERN CCCCCCCO[C@H]1[C@H](C=O)[C@H]2CC[C@@H]1O2 ZINC000584640508 358326752 /nfs/dbraw/zinc/32/67/52/358326752.db2.gz SYVPCVQHTCGMHA-MQYQWHSLSA-N 0 0 240.343 2.718 10 30 BFEERN COc1ccc2c(c1)CC[C@H]1CC(=O)C=C21 ZINC000100411752 358421315 /nfs/dbraw/zinc/42/13/15/358421315.db2.gz IOQLRMJQDGKAKT-VIFPVBQESA-N 0 0 214.264 2.614 10 30 BFEERN C#CCN(C)c1ccc(C(C)=O)cc1Cl ZINC000130211827 358954471 /nfs/dbraw/zinc/95/44/71/358954471.db2.gz PGKRGVMCVHJVCZ-UHFFFAOYSA-N 0 0 221.687 2.612 10 30 BFEERN C[C@@]1(C=O)CC[C@@H](c2ncc(Cl)s2)O1 ZINC000306179908 358990506 /nfs/dbraw/zinc/99/05/06/358990506.db2.gz IXOGGZATRPINOI-RCOVLWMOSA-N 0 0 231.704 2.606 10 30 BFEERN O=CCSc1ccc2ccccc2n1 ZINC000306185594 359001596 /nfs/dbraw/zinc/00/15/96/359001596.db2.gz HVUQDJBPNRKULB-UHFFFAOYSA-N 0 0 203.266 2.526 10 30 BFEERN C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000247420267 359220223 /nfs/dbraw/zinc/22/02/23/359220223.db2.gz NXJKQTPTOWSAPB-KWCYVHTRSA-N 0 0 248.370 2.963 10 30 BFEERN Cc1ccc(C#N)c(Br)c1F ZINC000231165665 359285584 /nfs/dbraw/zinc/28/55/84/359285584.db2.gz HDVHIFRRCHOXKZ-UHFFFAOYSA-N 0 0 214.037 2.768 10 30 BFEERN C=C(C)CC(=O)c1ccc2c(c1)CCO2 ZINC000169138926 359318103 /nfs/dbraw/zinc/31/81/03/359318103.db2.gz STFPNFLQRBCFCI-UHFFFAOYSA-N 0 0 202.253 2.770 10 30 BFEERN N#Cc1cccc(C(=O)C(F)(F)Cl)c1 ZINC000306226401 359354722 /nfs/dbraw/zinc/35/47/22/359354722.db2.gz GACCFIPSKUDEDK-UHFFFAOYSA-N 0 0 215.586 2.573 10 30 BFEERN C=C[C@@H](C)Nc1c(Cl)nsc1C#N ZINC000306214935 359324098 /nfs/dbraw/zinc/32/40/98/359324098.db2.gz YCKLEOPAJUNDDS-RXMQYKEDSA-N 0 0 213.693 2.655 10 30 BFEERN Cc1cnccc1[C@@]1(C#N)CCCS1 ZINC000306222235 359344161 /nfs/dbraw/zinc/34/41/61/359344161.db2.gz KBJOHNFHWKLBKZ-NSHDSACASA-N 0 0 204.298 2.636 10 30 BFEERN C=CCOc1c(N)ccc(C#N)c1CCC ZINC000079105851 359385992 /nfs/dbraw/zinc/38/59/92/359385992.db2.gz RSXFHSRTVFSSAO-UHFFFAOYSA-N 0 0 216.284 2.658 10 30 BFEERN N#Cc1ccc(N2CCCCCC2)cc1C#N ZINC000035803710 359628356 /nfs/dbraw/zinc/62/83/56/359628356.db2.gz JMVOXGHZSXTXMP-UHFFFAOYSA-N 0 0 225.295 2.810 10 30 BFEERN C[C@H](N[C@H]1CCCC[C@H]1C#N)c1ccncc1 ZINC000160985565 359632931 /nfs/dbraw/zinc/63/29/31/359632931.db2.gz FENADJPWGVQYPX-UBHSHLNASA-N 0 0 229.327 2.815 10 30 BFEERN CC(C)(C)Nc1nc(Cl)c(C#N)s1 ZINC000306414053 359816333 /nfs/dbraw/zinc/81/63/33/359816333.db2.gz UTLCXDPAELGVAG-UHFFFAOYSA-N 0 0 215.709 2.879 10 30 BFEERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)sc1C ZINC000087567114 359917623 /nfs/dbraw/zinc/91/76/23/359917623.db2.gz NHEHTDPCTAQKAT-QWRGUYRKSA-N 0 0 248.351 2.787 10 30 BFEERN CC#CCCC(=O)c1ccc(C)c(C)n1 ZINC000306467238 360080871 /nfs/dbraw/zinc/08/08/71/360080871.db2.gz LWEPPOBHENBWDB-UHFFFAOYSA-N 0 0 201.269 2.685 10 30 BFEERN C=C(c1ncc[nH]c1=S)C(F)(F)F ZINC000306470060 360087688 /nfs/dbraw/zinc/08/76/88/360087688.db2.gz QIPFDUFDIKEZJC-UHFFFAOYSA-N 0 0 206.192 2.715 10 30 BFEERN CC#C[C@H](O)c1ccc(C)c(Br)c1 ZINC000306483249 360152106 /nfs/dbraw/zinc/15/21/06/360152106.db2.gz MKDQTPBPNCWGOH-NSHDSACASA-N 0 0 239.112 2.814 10 30 BFEERN N#CCc1c(F)ccc(F)c1C(F)F ZINC000306550522 360420904 /nfs/dbraw/zinc/42/09/04/360420904.db2.gz FEBRVVUCVWFQIN-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN CC(C)(C)C#CC[C@@H]([NH3+])c1cscn1 ZINC000300757331 360454108 /nfs/dbraw/zinc/45/41/08/360454108.db2.gz MXJBTWNCAJOSDQ-SECBINFHSA-N 0 0 208.330 2.583 10 30 BFEERN N#Cc1c(Br)cccc1N1CC=CC1 ZINC000238026020 360535292 /nfs/dbraw/zinc/53/52/92/360535292.db2.gz PCSRTPVAKWBSNO-UHFFFAOYSA-N 0 0 249.111 2.697 10 30 BFEERN CC[C@@]1(c2ccccc2)CC(=O)C=CO1 ZINC000069852350 360723072 /nfs/dbraw/zinc/72/30/72/360723072.db2.gz HSNRBKVWKUJIGL-ZDUSSCGKSA-N 0 0 202.253 2.795 10 30 BFEERN CC[C@]1(c2ccccc2)CC(=O)C=CO1 ZINC000069852347 360723335 /nfs/dbraw/zinc/72/33/35/360723335.db2.gz HSNRBKVWKUJIGL-CYBMUJFWSA-N 0 0 202.253 2.795 10 30 BFEERN Cc1cc(C)cc([C@H]2CC(=O)C=CO2)c1 ZINC000069850375 360702008 /nfs/dbraw/zinc/70/20/08/360702008.db2.gz UBPLJIFBQJCXCC-CYBMUJFWSA-N 0 0 202.253 2.848 10 30 BFEERN CCC[C@@H]1C[C@H]1Nc1nc(C)ccc1C#N ZINC000161641431 219862223 /nfs/dbraw/zinc/86/22/23/219862223.db2.gz FZWCEBJDLRPYNI-ZYHUDNBSSA-N 0 0 215.300 2.862 10 30 BFEERN N#Cc1ccc(Cl)c(OC(F)(F)F)n1 ZINC000238545368 361146520 /nfs/dbraw/zinc/14/65/20/361146520.db2.gz ADVKJTBZIKJKHJ-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#CCc1cnc(OC(F)(F)F)c(Cl)c1 ZINC000238547900 361147641 /nfs/dbraw/zinc/14/76/41/361147641.db2.gz OQJZABGKSSFOOU-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN N#Cc1ccc(F)c(F)c1C(F)(F)F ZINC000238621446 361166749 /nfs/dbraw/zinc/16/67/49/361166749.db2.gz YXYGZBQVDDECAO-UHFFFAOYSA-N 0 0 207.101 2.855 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)c1cccc(F)c1 ZINC000041045693 361182952 /nfs/dbraw/zinc/18/29/52/361182952.db2.gz RMXCLXJMKIKAJH-LLVKDONJSA-N 0 0 205.232 2.804 10 30 BFEERN N#CC(C#N)c1ncc(Cl)cc1Cl ZINC000306621278 361231151 /nfs/dbraw/zinc/23/11/51/361231151.db2.gz ZESWCQWLVMCDHO-UHFFFAOYSA-N 0 0 212.039 2.519 10 30 BFEERN C=C(C)C(=O)c1cc(F)c(F)cc1F ZINC000306628825 361297403 /nfs/dbraw/zinc/29/74/03/361297403.db2.gz KQOVDWWFKBMXSI-UHFFFAOYSA-N 0 0 200.159 2.863 10 30 BFEERN C=CCSc1cc(Br)ncn1 ZINC000306629247 361298507 /nfs/dbraw/zinc/29/85/07/361298507.db2.gz JWZQMTBGZYBQTL-UHFFFAOYSA-N 0 0 231.118 2.517 10 30 BFEERN C=CC[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000163173382 361389565 /nfs/dbraw/zinc/38/95/65/361389565.db2.gz BYDNGEQSYRJCTK-VIFPVBQESA-N 0 0 209.264 2.586 10 30 BFEERN CC[C@@H](C#N)Sc1cc(N)cc(F)c1 ZINC000070589023 361578426 /nfs/dbraw/zinc/57/84/26/361578426.db2.gz SPOAQQCLCMBJHR-VIFPVBQESA-N 0 0 210.277 2.802 10 30 BFEERN N#Cc1cccc(C2=NC(=S)SC2)c1 ZINC000070598248 361581955 /nfs/dbraw/zinc/58/19/55/361581955.db2.gz ZPMPKMDJMNBDEM-UHFFFAOYSA-N 0 0 218.306 2.970 10 30 BFEERN CC#CC[NH2+]Cc1cc(Br)cs1 ZINC000070600198 361583648 /nfs/dbraw/zinc/58/36/48/361583648.db2.gz MMNPXJSSCKNHRL-UHFFFAOYSA-N 0 0 244.157 2.624 10 30 BFEERN N#CCCSc1ccc(Cl)cc1N ZINC000070601868 361586204 /nfs/dbraw/zinc/58/62/04/361586204.db2.gz HWMHVLWPWWPUMI-UHFFFAOYSA-N 0 0 212.705 2.928 10 30 BFEERN C[C@@H](C#N)Nc1cc(F)cc(Br)c1 ZINC000306638603 361586679 /nfs/dbraw/zinc/58/66/79/361586679.db2.gz NJPAUEXDKKJTAF-LURJTMIESA-N 0 0 243.079 2.912 10 30 BFEERN C[C@@H]1CC[C@@](C#N)(NCc2ccccc2)C1 ZINC000070644594 361693614 /nfs/dbraw/zinc/69/36/14/361693614.db2.gz ABLIEKHIVCEFOX-TZMCWYRMSA-N 0 0 214.312 2.859 10 30 BFEERN C=CC(=O)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000143058712 541507931 /nfs/dbraw/zinc/50/79/31/541507931.db2.gz IJKJCSHZXNNWGX-JTQLQIEISA-N 0 0 239.315 2.531 10 30 BFEERN CC[C@H](C)C[C@@]1(CC)O[C@@]1(Cl)C(=O)OC ZINC000233986838 541509727 /nfs/dbraw/zinc/50/97/27/541509727.db2.gz WBQVWOPMGVFQIO-GDPRMGEGSA-N 0 0 234.723 2.710 10 30 BFEERN Cc1[nH]c(C)c2c1C(C)(C)C[C@@]2(C)C=O ZINC000075606693 367930612 /nfs/dbraw/zinc/93/06/12/367930612.db2.gz FARDIONNCYLHIJ-ZDUSSCGKSA-N 0 0 205.301 2.769 10 30 BFEERN COc1cccc(C[C@H](C#N)c2cccnc2)c1 ZINC000038247213 368408224 /nfs/dbraw/zinc/40/82/24/368408224.db2.gz PNDHJKWGZOONAF-CQSZACIVSA-N 0 0 238.290 2.940 10 30 BFEERN COc1ccc(C#Cc2ccnc3[nH]ccc32)cc1 ZINC000114720429 368948789 /nfs/dbraw/zinc/94/87/89/368948789.db2.gz UYGOLWXCKYBWGL-UHFFFAOYSA-N 0 0 248.285 2.971 10 30 BFEERN C=CCN(CC=C)c1ccc(F)c(C#N)c1 ZINC000114868354 368956207 /nfs/dbraw/zinc/95/62/07/368956207.db2.gz NJKMGKJNHFIZNF-UHFFFAOYSA-N 0 0 216.259 2.876 10 30 BFEERN FC(F)(F)Oc1ccc(COC[C@@H]2CO2)cc1 ZINC000115612780 369003322 /nfs/dbraw/zinc/00/33/22/369003322.db2.gz VGDJZJCLOATKJK-SNVBAGLBSA-N 0 0 248.200 2.501 10 30 BFEERN C=CCC(=O)Nc1cccc(Br)c1 ZINC000054400213 369070032 /nfs/dbraw/zinc/07/00/32/369070032.db2.gz CIWWPLLNJHAVRV-UHFFFAOYSA-N 0 0 240.100 2.964 10 30 BFEERN C/C(=N\O)c1c(F)c(F)c(F)c(F)c1F ZINC000215114650 369091608 /nfs/dbraw/zinc/09/16/08/369091608.db2.gz YUYHMIVGCVKBID-JLZUIIAYSA-N 0 0 225.116 2.580 10 30 BFEERN Cc1cccc(CN[C@H]2CCCC[C@@H]2C#N)n1 ZINC000054829148 369101936 /nfs/dbraw/zinc/10/19/36/369101936.db2.gz KTFLPVHIOIQVLV-OCCSQVGLSA-N 0 0 229.327 2.562 10 30 BFEERN COc1ccc2cc([C@H]3CO3)ccc2c1 ZINC000055027024 369120866 /nfs/dbraw/zinc/12/08/66/369120866.db2.gz NSWWSVZPTCPVIA-CYBMUJFWSA-N 0 0 200.237 2.920 10 30 BFEERN Cc1cc(CN[C@@H]2CCCC[C@@H]2C#N)sn1 ZINC000404308697 369425801 /nfs/dbraw/zinc/42/58/01/369425801.db2.gz GWBGOHIAOQIQNW-ZYHUDNBSSA-N 0 0 235.356 2.624 10 30 BFEERN N#Cc1c(-c2ccccc2)n[nH]c1C1CC1 ZINC000409441586 369977813 /nfs/dbraw/zinc/97/78/13/369977813.db2.gz RWMCKJOLKIJCPS-UHFFFAOYSA-N 0 0 209.252 2.826 10 30 BFEERN N#CC1(c2ccc([N+](=O)[O-])cc2)CC=CC1 ZINC000232274498 259542578 /nfs/dbraw/zinc/54/25/78/259542578.db2.gz ZAMZWUIROIFJNY-UHFFFAOYSA-N 0 0 214.224 2.706 10 30 BFEERN N#Cc1c(F)cccc1NCC[C@@H]1CCCO1 ZINC000075667438 370159135 /nfs/dbraw/zinc/15/91/35/370159135.db2.gz OSVMUAWRHYZAEB-JTQLQIEISA-N 0 0 234.274 2.678 10 30 BFEERN C=CCCCCCN(C)C(=O)N[C@@H]1C[C@@H]1C ZINC000154114277 371081582 /nfs/dbraw/zinc/08/15/82/371081582.db2.gz JSVHVHIKGAQGNB-NWDGAFQWSA-N 0 0 224.348 2.783 10 30 BFEERN CCNC(=O)[C@H]1C[C@@]12CCOc1ccc(F)cc12 ZINC000328605681 371131476 /nfs/dbraw/zinc/13/14/76/371131476.db2.gz OTYNQRQIWWUCLW-BXUZGUMPSA-N 0 0 249.285 2.842 10 30 BFEERN Nc1cccc(C#Cc2ccc3c(c2)COC3)c1 ZINC000062334250 181740123 /nfs/dbraw/zinc/74/01/23/181740123.db2.gz XMUCVLFJCYOPCP-UHFFFAOYSA-N 0 0 235.286 2.699 10 30 BFEERN N#CC[C@H](O)c1ccc(Br)c(F)c1 ZINC000161982474 371597459 /nfs/dbraw/zinc/59/74/59/371597459.db2.gz CUAIDWYRJMFFKC-VIFPVBQESA-N 0 0 244.063 2.535 10 30 BFEERN N#CCNc1c(F)cc(F)cc1Cl ZINC000215744147 371623527 /nfs/dbraw/zinc/62/35/27/371623527.db2.gz UFCQGKVDHZMGDX-UHFFFAOYSA-N 0 0 202.591 2.554 10 30 BFEERN C#C[C@@H](CCC)Nc1ncccc1Cl ZINC000230003421 371633016 /nfs/dbraw/zinc/63/30/16/371633016.db2.gz ADFRLZPQTPQWFX-VIFPVBQESA-N 0 0 208.692 2.949 10 30 BFEERN CC(=N)Nc1c(F)cc(F)cc1Cl ZINC000215827172 371636188 /nfs/dbraw/zinc/63/61/88/371636188.db2.gz ZXECXTOVXCFJNR-UHFFFAOYSA-N 0 0 204.607 2.627 10 30 BFEERN C#C[C@H](CCC)Nc1ccnc(Cl)c1 ZINC000230021926 371636819 /nfs/dbraw/zinc/63/68/19/371636819.db2.gz QMPZXXLOFHQPCE-SECBINFHSA-N 0 0 208.692 2.949 10 30 BFEERN Cc1ccc(Br)c(O)c1CC#N ZINC000216413287 371751236 /nfs/dbraw/zinc/75/12/36/371751236.db2.gz XDZADTBFPRWFRB-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN C#CCCNc1cccc(Cl)c1[N+](=O)[O-] ZINC000163136319 371938036 /nfs/dbraw/zinc/93/80/36/371938036.db2.gz JZOSAACCOYWHFH-UHFFFAOYSA-N 0 0 224.647 2.683 10 30 BFEERN C#CCCNc1ccc2ncsc2c1 ZINC000230309539 371889214 /nfs/dbraw/zinc/88/92/14/371889214.db2.gz VZABMCIAILAZGW-UHFFFAOYSA-N 0 0 202.282 2.732 10 30 BFEERN CCN[C@H](C#N)c1ccc(Cl)cc1F ZINC000163003426 371909210 /nfs/dbraw/zinc/90/92/10/371909210.db2.gz BKJSRXLBJYFFLV-SNVBAGLBSA-N 0 0 212.655 2.653 10 30 BFEERN CC(C)=CC(=O)[C@@H]1SCCS[C@@H]1C ZINC000228075818 371986399 /nfs/dbraw/zinc/98/63/99/371986399.db2.gz AGAVQAWZAOJSAC-PSASIEDQSA-N 0 0 216.371 2.759 10 30 BFEERN C/C=C\C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000228125639 371993976 /nfs/dbraw/zinc/99/39/76/371993976.db2.gz KZXCLHZOUVBLFD-IHWYPQMZSA-N 0 0 220.659 2.726 10 30 BFEERN COc1cc(Br)cc(CC#N)c1F ZINC000217431652 371952668 /nfs/dbraw/zinc/95/26/68/371952668.db2.gz JONBHKMEXCPEQN-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN N#Cc1cncc2c1CCN(Cc1ccccc1)C2 ZINC000217986256 372040234 /nfs/dbraw/zinc/04/02/34/372040234.db2.gz ZLMYMSKUPZDBEJ-UHFFFAOYSA-N 0 0 249.317 2.512 10 30 BFEERN C=C([C@H](O)c1csc(C)n1)C(F)(F)F ZINC000306587308 372040253 /nfs/dbraw/zinc/04/02/53/372040253.db2.gz UTRNEBGUNLEIGB-ZETCQYMHSA-N 0 0 223.219 2.603 10 30 BFEERN COc1ccc(C)cc1C1=CCCC1=O ZINC000306947831 372080579 /nfs/dbraw/zinc/08/05/79/372080579.db2.gz QWPHJDPEQFQYGE-UHFFFAOYSA-N 0 0 202.253 2.750 10 30 BFEERN O=C(C1=CCC[C@H]1O)c1ccc(Cl)cc1 ZINC000021995648 181858546 /nfs/dbraw/zinc/85/85/46/181858546.db2.gz BQUHHDLLKDFQIS-LLVKDONJSA-N 0 0 222.671 2.604 10 30 BFEERN C=C(c1cncc(=S)[nH]1)C(F)(F)F ZINC000307235927 372100896 /nfs/dbraw/zinc/10/08/96/372100896.db2.gz FYPUURZNHMUCOY-UHFFFAOYSA-N 0 0 206.192 2.715 10 30 BFEERN C=C[C@H](C)Nc1cc(C#N)cc(Cl)n1 ZINC000229319273 372142489 /nfs/dbraw/zinc/14/24/89/372142489.db2.gz NMJVACBIKOIXBJ-ZETCQYMHSA-N 0 0 207.664 2.593 10 30 BFEERN C=C[C@@H](C)Nc1cc(C#N)cc(Cl)n1 ZINC000229319260 372142817 /nfs/dbraw/zinc/14/28/17/372142817.db2.gz NMJVACBIKOIXBJ-SSDOTTSWSA-N 0 0 207.664 2.593 10 30 BFEERN C=CC[C@@H](C)Nc1cc(Br)ncn1 ZINC000229324637 372142931 /nfs/dbraw/zinc/14/29/31/372142931.db2.gz PVBUJNNUDJSDFX-SSDOTTSWSA-N 0 0 242.120 2.616 10 30 BFEERN COc1csc(C(=O)C2=COCCC2)c1 ZINC000229519996 372159848 /nfs/dbraw/zinc/15/98/48/372159848.db2.gz SKLMWWPNEOIUIP-UHFFFAOYSA-N 0 0 224.281 2.634 10 30 BFEERN C[C@@H](S)C(=O)OC1CCCCCC1 ZINC000059391789 372177282 /nfs/dbraw/zinc/17/72/82/372177282.db2.gz RQWYDXSRRXYLOM-MRVPVSSYSA-N 0 0 202.319 2.571 10 30 BFEERN C=C[C@@H](C)Nc1cc(Cl)nnc1Cl ZINC000229244864 372131727 /nfs/dbraw/zinc/13/17/27/372131727.db2.gz AHPLUDWSYXBZPC-RXMQYKEDSA-N 0 0 218.087 2.770 10 30 BFEERN Cc1cc(C)nc(SC[C@@H](C)C#N)c1 ZINC000229852038 372201703 /nfs/dbraw/zinc/20/17/03/372201703.db2.gz XUWGTPCKSPZXIG-VIFPVBQESA-N 0 0 206.314 2.950 10 30 BFEERN O=C(CS)Nc1ccccc1C(F)(F)F ZINC000072414964 182005456 /nfs/dbraw/zinc/00/54/56/182005456.db2.gz OUFDUTRYSMWIQN-UHFFFAOYSA-N 0 0 235.230 2.574 10 30 BFEERN O=C(CS)Nc1cccc(Cl)c1Cl ZINC000084844278 182006830 /nfs/dbraw/zinc/00/68/30/182006830.db2.gz STRFEXASOLMSNS-UHFFFAOYSA-N 0 0 236.123 2.862 10 30 BFEERN CC1CCC(C#N)(NC(=O)OC(C)(C)C)CC1 ZINC000040356731 373201956 /nfs/dbraw/zinc/20/19/56/373201956.db2.gz GQHKTTZTPCCESV-UHFFFAOYSA-N 0 0 238.331 2.984 10 30 BFEERN Cc1ccc(NC(=O)CCS)cc1C ZINC000041570426 374147076 /nfs/dbraw/zinc/14/70/76/374147076.db2.gz RXSYEJQDBDPCEC-UHFFFAOYSA-N 0 0 209.314 2.562 10 30 BFEERN Nc1ccc(C(=O)C2=CCCC2)cc1F ZINC000070671422 374170797 /nfs/dbraw/zinc/17/07/97/374170797.db2.gz VHERZHKOLJMPAV-UHFFFAOYSA-N 0 0 205.232 2.701 10 30 BFEERN Cc1cccc(N)c1C(=O)C1=CCCC1 ZINC000070671444 374171064 /nfs/dbraw/zinc/17/10/64/374171064.db2.gz VNKTYUHAFJOVBX-UHFFFAOYSA-N 0 0 201.269 2.870 10 30 BFEERN Cc1ccc([C@@H](C#N)N2CCCC2)s1 ZINC000041677102 374173698 /nfs/dbraw/zinc/17/36/98/374173698.db2.gz QGORXOIPQIHNIW-SNVBAGLBSA-N 0 0 206.314 2.717 10 30 BFEERN Cc1cc([C@@H]2OCC[C@@H]2C#N)c(C)s1 ZINC000070672447 374173720 /nfs/dbraw/zinc/17/37/20/374173720.db2.gz CODJKHARHLWDJO-MWLCHTKSSA-N 0 0 207.298 2.966 10 30 BFEERN C#CCN(C)C(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000191149414 259572155 /nfs/dbraw/zinc/57/21/55/259572155.db2.gz DLEHNUVFZCQPEE-VXGBXAGGSA-N 0 0 221.344 2.540 10 30 BFEERN OCC#Cc1cccc(COc2ccccc2)c1 ZINC000049620423 183033763 /nfs/dbraw/zinc/03/37/63/183033763.db2.gz WNFQQNDCFHHZIR-UHFFFAOYSA-N 0 0 238.286 2.609 10 30 BFEERN CCCN(CCC)c1cc(C#N)ccn1 ZINC000019503828 169152950 /nfs/dbraw/zinc/15/29/50/169152950.db2.gz IEQZZRBCKFLPDL-UHFFFAOYSA-N 0 0 203.289 2.580 10 30 BFEERN CCCN(c1ccc(C#N)cc1N)C(C)C ZINC000035674680 169182317 /nfs/dbraw/zinc/18/23/17/169182317.db2.gz KESVETCETAWONK-UHFFFAOYSA-N 0 0 217.316 2.765 10 30 BFEERN SCc1ocnc1Cc1ccccc1 ZINC000095078988 183315773 /nfs/dbraw/zinc/31/57/73/183315773.db2.gz WCWGANQSMXRSDW-UHFFFAOYSA-N 0 0 205.282 2.695 10 30 BFEERN SCc1nnc(-c2ccccc2Cl)o1 ZINC000057953201 183315812 /nfs/dbraw/zinc/31/58/12/183315812.db2.gz LYSOERKTKODFKK-UHFFFAOYSA-N 0 0 226.688 2.820 10 30 BFEERN CCCN(c1cc(C)ccc1/C(N)=N/O)C(C)C ZINC000051578903 169182712 /nfs/dbraw/zinc/18/27/12/169182712.db2.gz IZBZDMLHMCAWMO-UHFFFAOYSA-N 0 0 249.358 2.714 10 30 BFEERN CCCN[C@H](C#N)c1cc(C)c(O)c(C)c1 ZINC000020424365 169283982 /nfs/dbraw/zinc/28/39/82/169283982.db2.gz GRQBMBRWSQIARN-GFCCVEGCSA-N 0 0 218.300 2.573 10 30 BFEERN CCCN[C@@H](C#N)c1cc(C)c(O)c(C)c1 ZINC000020424363 169273540 /nfs/dbraw/zinc/27/35/40/169273540.db2.gz GRQBMBRWSQIARN-LBPRGKRZSA-N 0 0 218.300 2.573 10 30 BFEERN CCCN[C@H](C#N)c1ccc(SC)cc1 ZINC000034958892 169283708 /nfs/dbraw/zinc/28/37/08/169283708.db2.gz SAWWAYIUYJUKLK-GFCCVEGCSA-N 0 0 220.341 2.973 10 30 BFEERN CCCOc1cc(C#N)c2ccccc2n1 ZINC000068796643 169313630 /nfs/dbraw/zinc/31/36/30/169313630.db2.gz MCIICEGPSQAVNB-UHFFFAOYSA-N 0 0 212.252 2.895 10 30 BFEERN CCCOc1ccc(C=O)c(O[C@@H](C)C#N)c1 ZINC000047873917 169317786 /nfs/dbraw/zinc/31/77/86/169317786.db2.gz HREURTMREBWTIM-JTQLQIEISA-N 0 0 233.267 2.579 10 30 BFEERN CCCOc1ccc([C@@H](C#N)NC2CC2)cc1 ZINC000020176399 169320930 /nfs/dbraw/zinc/32/09/30/169320930.db2.gz GSXVOTKZSRAGBP-CQSZACIVSA-N 0 0 230.311 2.792 10 30 BFEERN CCC[C@@H](C)COc1cccc(/C(N)=N/O)c1 ZINC000051320810 169361789 /nfs/dbraw/zinc/36/17/89/169361789.db2.gz LJBKHIFRMYLCGL-SNVBAGLBSA-N 0 0 236.315 2.596 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H](CC#N)C(C)(C)C ZINC000091691036 166665775 /nfs/dbraw/zinc/66/57/75/166665775.db2.gz PUJIJRGXDZBMPU-VIFPVBQESA-N 0 0 226.320 2.839 10 30 BFEERN CC(=O)n1c(C#N)c(Cl)c2ccccc21 ZINC000003098558 383999394 /nfs/dbraw/zinc/99/93/94/383999394.db2.gz GEJKYMPZDTVTHX-UHFFFAOYSA-N 0 0 218.643 2.826 10 30 BFEERN O=C(/C=C/c1ccccn1)c1ccc(O)cc1 ZINC000027517889 384029706 /nfs/dbraw/zinc/02/97/06/384029706.db2.gz RJEMZOVUVURPAM-RMKNXTFCSA-N 0 0 225.247 2.683 10 30 BFEERN COC(=O)[C@@H](C#N)c1c(Cl)cccc1Cl ZINC000071624713 384173526 /nfs/dbraw/zinc/17/35/26/384173526.db2.gz WBXLYMPVQDURMA-LURJTMIESA-N 0 0 244.077 2.774 10 30 BFEERN C#CCCCNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000172936727 533038638 /nfs/dbraw/zinc/03/86/38/533038638.db2.gz DOMZZGFXDZFTBV-UONOGXRCSA-N 0 0 233.355 2.732 10 30 BFEERN COc1ccc(C[C@@H]2COCC[C@H]2S)cc1 ZINC000095076287 384352404 /nfs/dbraw/zinc/35/24/04/384352404.db2.gz SIFQRAYZROMASP-DGCLKSJQSA-N 0 0 238.352 2.573 10 30 BFEERN C/C(=C\c1ccc2ccccc2c1)C(=O)NO ZINC000028109710 384365609 /nfs/dbraw/zinc/36/56/09/384365609.db2.gz NPYWWIHEHONKOF-CSKARUKUSA-N 0 0 227.263 2.749 10 30 in-vivo BFEERN Cc1ccc([C@H](C)NC(=O)C2(C#N)CCCC2)o1 ZINC000044293388 384324091 /nfs/dbraw/zinc/32/40/91/384324091.db2.gz PFWWFTLZKHEOGV-NSHDSACASA-N 0 0 246.310 2.849 10 30 BFEERN Cc1ccc(/C=N\c2ccccc2C(N)=O)s1 ZINC000100373226 384325520 /nfs/dbraw/zinc/32/55/20/384325520.db2.gz VIKMQPPCYDUCPA-NVNXTCNLSA-N 0 0 244.319 2.906 10 30 BFEERN COc1c(F)c(CC#N)ccc1OC(F)F ZINC000575659733 384408636 /nfs/dbraw/zinc/40/86/36/384408636.db2.gz JYLASDUAQALFNP-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN Cc1ccc2c(c1)C=C[C@@](Cl)(C=O)N2 ZINC000095931704 384410602 /nfs/dbraw/zinc/41/06/02/384410602.db2.gz FFNNSJUDVLLFFZ-NSHDSACASA-N 0 0 207.660 2.568 10 30 BFEERN CC(C)(C)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000335617585 384389779 /nfs/dbraw/zinc/38/97/79/384389779.db2.gz RYKXWYMMXSMFPZ-GHMZBOCLSA-N 0 0 236.359 2.867 10 30 BFEERN C=C(C)CNC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000161276572 384521508 /nfs/dbraw/zinc/52/15/08/384521508.db2.gz WYTCTKCGSUZQJO-QWHCGFSZSA-N 0 0 221.344 2.895 10 30 BFEERN C/C(=N\O)c1ccccc1Br ZINC000100067295 384615192 /nfs/dbraw/zinc/61/51/92/384615192.db2.gz DPLPRQURUMMJQY-UXBLZVDNSA-N 0 0 214.062 2.647 10 30 BFEERN C[C@@H]1CC[C@](O)(c2ccc(C#N)cc2)C1 ZINC000521400748 384628823 /nfs/dbraw/zinc/62/88/23/384628823.db2.gz CRJKAYMBGAANNK-ZWNOBZJWSA-N 0 0 201.269 2.566 10 30 BFEERN COc1ccc(C(F)(F)F)c(C#N)c1OC ZINC000258456159 384591383 /nfs/dbraw/zinc/59/13/83/384591383.db2.gz ORGZKWYBZCWKOE-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN CC#CCCN1CCC[C@H]1c1noc(C(C)C)n1 ZINC000155332039 384712584 /nfs/dbraw/zinc/71/25/84/384712584.db2.gz SYXMOPUNOGGRHH-LBPRGKRZSA-N 0 0 247.342 2.743 10 30 BFEERN COC(=O)[C@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000049831613 384823552 /nfs/dbraw/zinc/82/35/52/384823552.db2.gz XURZHUOKWKYITK-SSDOTTSWSA-N 0 0 244.077 2.774 10 30 BFEERN O=[N+]([O-])c1cc2c(s1)CCCC/C2=N/O ZINC000103623171 384782424 /nfs/dbraw/zinc/78/24/24/384782424.db2.gz RVGPMCAQOOYMFJ-YFHOEESVSA-N 0 0 226.257 2.561 10 30 BFEERN CC1(C)C[C@H]1c1noc(-c2ccc(C#N)cn2)n1 ZINC000232868363 259658161 /nfs/dbraw/zinc/65/81/61/259658161.db2.gz ZJOZBIIYVPRICT-VIFPVBQESA-N 0 0 240.266 2.517 10 30 BFEERN CCc1cc(CC#N)c(C(F)(F)F)cc1N ZINC000575717708 384884710 /nfs/dbraw/zinc/88/47/10/384884710.db2.gz AQCPFAVYZWZGDA-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN CCCn1cc(C#N)c(=O)c2ccc(C)c(C)c21 ZINC000072237043 384842547 /nfs/dbraw/zinc/84/25/47/384842547.db2.gz ILUYSNCCLXAFGD-UHFFFAOYSA-N 0 0 240.306 2.900 10 30 BFEERN C=CC[C@H](CO)Nc1c(Cl)cccc1C#N ZINC000302142737 384974230 /nfs/dbraw/zinc/97/42/30/384974230.db2.gz PQGDELZOFYLHTA-SNVBAGLBSA-N 0 0 236.702 2.561 10 30 BFEERN Cc1ccc(Oc2nccnc2C#N)cc1F ZINC000226418282 385013948 /nfs/dbraw/zinc/01/39/48/385013948.db2.gz AGBJGLOLDPSKKZ-UHFFFAOYSA-N 0 0 229.214 2.588 10 30 BFEERN C=CC[C@H](CO)Nc1nc2ccccc2cc1C ZINC000302135715 384963910 /nfs/dbraw/zinc/96/39/10/384963910.db2.gz MIGZPWPIZOOURE-CYBMUJFWSA-N 0 0 242.322 2.892 10 30 BFEERN CC[C@](C)(CCC(C)C)C(=O)OC[C@H]1CO1 ZINC000032229271 385137428 /nfs/dbraw/zinc/13/74/28/385137428.db2.gz DHEHEJGXTUCSQF-DGCLKSJQSA-N 0 0 228.332 2.781 10 30 BFEERN N#CCCNc1ccc(F)cc1Br ZINC000036730524 385466644 /nfs/dbraw/zinc/46/66/44/385466644.db2.gz AAZASOCJWREWCL-UHFFFAOYSA-N 0 0 243.079 2.914 10 30 BFEERN COc1c(CC#N)cc(F)cc1SC ZINC000258027794 385529295 /nfs/dbraw/zinc/52/92/95/385529295.db2.gz JYXKIVYTCSMXFM-UHFFFAOYSA-N 0 0 211.261 2.622 10 30 BFEERN CCOC(=O)c1cc(C(F)(F)F)ccc1C#N ZINC000260144186 385704313 /nfs/dbraw/zinc/70/43/13/385704313.db2.gz JVBWNRKXWKWMFU-UHFFFAOYSA-N 0 0 243.184 2.754 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1ccc(C#N)cn1 ZINC000231663443 385767622 /nfs/dbraw/zinc/76/76/22/385767622.db2.gz ZNIDSUCJAJGXTA-QWRGUYRKSA-N 0 0 201.273 2.554 10 30 BFEERN C[C@@H]1CC[C@@](C#N)(NCc2ccccc2)CS1 ZINC000575534716 385898638 /nfs/dbraw/zinc/89/86/38/385898638.db2.gz MLGWQPCDLGTKLF-OCCSQVGLSA-N 0 0 246.379 2.954 10 30 BFEERN N#Cc1ccnc(N2CCC[C@H]3CCCC[C@H]32)n1 ZINC000231906646 385877610 /nfs/dbraw/zinc/87/76/10/385877610.db2.gz NFSFSVYBCQPYAR-DGCLKSJQSA-N 0 0 242.326 2.507 10 30 BFEERN N#Cc1ccc(C(=O)C(F)(F)C(F)(F)F)cc1 ZINC000575242828 386420513 /nfs/dbraw/zinc/42/05/13/386420513.db2.gz KKUMWNPNQRHPNH-UHFFFAOYSA-N 0 0 249.138 2.939 10 30 BFEERN N#Cc1ccccc1C(=O)COc1ccccc1 ZINC000575243016 386422233 /nfs/dbraw/zinc/42/22/33/386422233.db2.gz SHNSSLUZKKDYOJ-UHFFFAOYSA-N 0 0 237.258 2.820 10 30 BFEERN CC(C)(C)OC(=O)n1ncc2cccc(C#N)c21 ZINC000087493364 386474320 /nfs/dbraw/zinc/47/43/20/386474320.db2.gz NPTHYXWBZRHNFV-UHFFFAOYSA-N 0 0 243.266 2.691 10 30 BFEERN CCOc1cc(CC)cc(CC#N)c1C#N ZINC000575643732 386583337 /nfs/dbraw/zinc/58/33/37/386583337.db2.gz TVALVWBMFKWMEJ-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN CCOc1cc(C#N)cc(CC)c1CC#N ZINC000575644286 386585597 /nfs/dbraw/zinc/58/55/97/386585597.db2.gz WKGLSOSJTXXEJA-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN CCc1onc(C)c1NC(=O)N1C[C@H]2CCC[C@H]21 ZINC000328881624 386641562 /nfs/dbraw/zinc/64/15/62/386641562.db2.gz LHZJIGMIQYOHIE-NXEZZACHSA-N 0 0 249.314 2.575 10 30 BFEERN CCc1noc(C)c1NC(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000328874283 386641929 /nfs/dbraw/zinc/64/19/29/386641929.db2.gz ZCZXKHWEXRDZEX-ONGXEEELSA-N 0 0 249.314 2.575 10 30 BFEERN C[C@H](O)[C@H](C)SCC#CC(C)(C)C ZINC000300718870 386608242 /nfs/dbraw/zinc/60/82/42/386608242.db2.gz APFCAUGDIJPCRQ-UWVGGRQHSA-N 0 0 200.347 2.538 10 30 BFEERN CCOC(=O)c1ccc(C(F)(F)F)c(C#N)c1 ZINC000575345187 386709609 /nfs/dbraw/zinc/70/96/09/386709609.db2.gz DXYJQFOXWNTALW-UHFFFAOYSA-N 0 0 243.184 2.754 10 30 BFEERN COC(=O)c1cc(C#N)c(F)c(C(F)(F)F)c1 ZINC000575344833 386709678 /nfs/dbraw/zinc/70/96/78/386709678.db2.gz ACUNVKPZEXQJNJ-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN N#CCc1ccc(OC(F)(F)F)cc1[N+](=O)[O-] ZINC000575338345 386684722 /nfs/dbraw/zinc/68/47/22/386684722.db2.gz GCGPLIXOYIBBKI-UHFFFAOYSA-N 0 0 246.144 2.559 10 30 BFEERN CCOC(=O)c1c(C)cc(C#N)cc1C(F)F ZINC000575343664 386690569 /nfs/dbraw/zinc/69/05/69/386690569.db2.gz YDBJNLUTTLJCIQ-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN Cc1cc(C#N)ccc1C(=O)N[C@H](C)C(C)C ZINC000160360605 386690664 /nfs/dbraw/zinc/69/06/64/386690664.db2.gz VKFFNBCERNUSQB-LLVKDONJSA-N 0 0 230.311 2.641 10 30 BFEERN CCOC(=O)c1cc(C#N)c(C(F)F)cc1C ZINC000575343566 386690886 /nfs/dbraw/zinc/69/08/86/386690886.db2.gz JQZVYHUOHSCBOZ-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN CCOC(=O)c1cc(C)c(C(F)F)cc1C#N ZINC000575343571 386690997 /nfs/dbraw/zinc/69/09/97/386690997.db2.gz KLIUYKVVRDKIEV-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)Cc1ccc(C(F)F)c(C)c1C#N ZINC000575343721 386691571 /nfs/dbraw/zinc/69/15/71/386691571.db2.gz DLOUUBYRPJCNAO-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN COC(=O)Cc1cc(C(F)F)cc(C)c1C#N ZINC000575343962 386691625 /nfs/dbraw/zinc/69/16/25/386691625.db2.gz KZCQJJROPOGEPI-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN COC(=O)c1c(F)cc(C#N)cc1C(F)(F)F ZINC000575344916 386711968 /nfs/dbraw/zinc/71/19/68/386711968.db2.gz ITCWGZWUDPGYKY-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN COc1ccc(C(F)(F)F)cc1C(=O)CC#N ZINC000575448739 386735862 /nfs/dbraw/zinc/73/58/62/386735862.db2.gz NALHYPIAVIKGGA-UHFFFAOYSA-N 0 0 243.184 2.810 10 30 BFEERN C=CCCC(=O)c1ccc(N2CCOCC2)cc1 ZINC000575358932 386758259 /nfs/dbraw/zinc/75/82/59/386758259.db2.gz YQNDPDAQPHIQBK-UHFFFAOYSA-N 0 0 245.322 2.672 10 30 BFEERN C[C@H](S)c1ccc(Br)cn1 ZINC000575449844 386787758 /nfs/dbraw/zinc/78/77/58/386787758.db2.gz RFTBJDBNNZYRTK-YFKPBYRVSA-N 0 0 218.119 2.835 10 30 BFEERN CCOC(=O)Cc1cc(C#N)c(CC)c(CC)c1 ZINC000575385348 386942904 /nfs/dbraw/zinc/94/29/04/386942904.db2.gz MBMOHRHRHXWOBL-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)Cc1c(C#N)ccc(CC)c1CC ZINC000575385418 386944789 /nfs/dbraw/zinc/94/47/89/386944789.db2.gz PMLHCRPQNIRSQP-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)c1ccc(CC)c(CC)c1C#N ZINC000575385581 386945353 /nfs/dbraw/zinc/94/53/53/386945353.db2.gz JCJFCCNPJMPPPR-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)Cc1c(C)ccc(CC)c1C#N ZINC000575389095 386953157 /nfs/dbraw/zinc/95/31/57/386953157.db2.gz XHTPEPIMNAFYBB-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1cc(C#N)c(C(=O)OC)c(C(F)F)c1 ZINC000575389368 386953610 /nfs/dbraw/zinc/95/36/10/386953610.db2.gz CFCNOECZZZCYBP-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCc1c(C(=O)OC)cc(C#N)cc1C(F)F ZINC000575389739 386954060 /nfs/dbraw/zinc/95/40/60/386954060.db2.gz OGSZJZHBMMNFOU-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCc1cc(C(F)F)c(C(=O)OC)cc1C#N ZINC000575389748 386954224 /nfs/dbraw/zinc/95/42/24/386954224.db2.gz OUXLOKSIMBTHDA-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)c1c(C#N)c(F)ccc1C(F)F ZINC000575389996 386954913 /nfs/dbraw/zinc/95/49/13/386954913.db2.gz ZCOLFGUQBJSWJL-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOc1c(CC#N)ccc(F)c1OC(F)F ZINC000575655412 387039265 /nfs/dbraw/zinc/03/92/65/387039265.db2.gz DZXSFOWHBWABJW-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCc1cc(O)c(OC(F)F)cc1CC#N ZINC000575655535 387040222 /nfs/dbraw/zinc/04/02/22/387040222.db2.gz PLVPZJHNVVTUAR-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCc1cc(OC)c(OC(F)F)cc1CC#N ZINC000575659237 387048879 /nfs/dbraw/zinc/04/88/79/387048879.db2.gz XZFBREAAYPZLPA-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCc1c(C#N)cc(OC(F)F)cc1[N+](=O)[O-] ZINC000575658816 387049358 /nfs/dbraw/zinc/04/93/58/387049358.db2.gz IOKGGHZGNQQZAQ-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN COc1cc(CC#N)c(F)cc1OC(F)F ZINC000575660661 387051201 /nfs/dbraw/zinc/05/12/01/387051201.db2.gz WNZMMAGHCIVKSN-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN COc1c(OC(F)F)ccc(F)c1CC#N ZINC000575659656 387052061 /nfs/dbraw/zinc/05/20/61/387052061.db2.gz IHWHTSCZIATATF-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN Cc1cc(F)c(OC(F)F)cc1C#N ZINC000575660906 387054303 /nfs/dbraw/zinc/05/43/03/387054303.db2.gz CTHPFRDQDSQQEG-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN COc1c(F)ccc(CC#N)c1OC(F)F ZINC000575660279 387054436 /nfs/dbraw/zinc/05/44/36/387054436.db2.gz QZUATXAMOWVFBO-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN C=C1CCCN(c2nc(Cl)cs2)C1 ZINC000575456562 387027220 /nfs/dbraw/zinc/02/72/20/387027220.db2.gz WOYYGHWRKGPYSJ-UHFFFAOYSA-N 0 0 214.721 2.953 10 30 BFEERN Cc1ccc(F)c(OC(F)F)c1CC#N ZINC000575661995 387165790 /nfs/dbraw/zinc/16/57/90/387165790.db2.gz YTSUVEKSWJKRRR-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN Cc1c2[nH]nc(C#N)c2ccc1Br ZINC000575440653 387134729 /nfs/dbraw/zinc/13/47/29/387134729.db2.gz DHQPFMCJWGEDSS-UHFFFAOYSA-N 0 0 236.072 2.506 10 30 BFEERN C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000424697320 387251426 /nfs/dbraw/zinc/25/14/26/387251426.db2.gz CYUDYNLFGFKQES-MROQNXINSA-N 0 0 234.343 2.621 10 30 BFEERN C[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000424697322 387251745 /nfs/dbraw/zinc/25/17/45/387251745.db2.gz CYUDYNLFGFKQES-VOAKCMCISA-N 0 0 234.343 2.621 10 30 BFEERN Cc1ccc(OC(F)F)c(CC#N)c1[N+](=O)[O-] ZINC000575665070 387313594 /nfs/dbraw/zinc/31/35/94/387313594.db2.gz BACUITJNSSHBLD-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN C=C(Cl)CNc1cncc(Cl)c1 ZINC000575488640 387258462 /nfs/dbraw/zinc/25/84/62/387258462.db2.gz PEOAQODLLQWPPJ-UHFFFAOYSA-N 0 0 203.072 2.899 10 30 BFEERN C[C@H](C#N)C(=O)c1ccsc1Br ZINC000575488354 387259132 /nfs/dbraw/zinc/25/91/32/387259132.db2.gz YXMVTOIJGARIBD-RXMQYKEDSA-N 0 0 244.113 2.853 10 30 BFEERN COc1cc(C)c(CC#N)cc1OC(F)F ZINC000575666624 387319248 /nfs/dbraw/zinc/31/92/48/387319248.db2.gz XCOQSQHSCNPNTN-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN COc1ccc(OC(F)F)c(C)c1CC#N ZINC000575664222 387290055 /nfs/dbraw/zinc/29/00/55/387290055.db2.gz DRABFIVBULNUBT-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN COc1cc(C)cc(CC#N)c1OC(F)F ZINC000575666707 387319324 /nfs/dbraw/zinc/31/93/24/387319324.db2.gz ZAFXPVWFBFMVNS-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN CCOc1cc(O)cc(C(F)F)c1CC#N ZINC000575666848 387319348 /nfs/dbraw/zinc/31/93/48/387319348.db2.gz NDMMEYVMZHZQPA-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN CCOc1cc(C(F)F)cc(O)c1CC#N ZINC000575666823 387320007 /nfs/dbraw/zinc/32/00/07/387320007.db2.gz MPIOZTVXLFBYIT-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN CCOc1cc(C(F)F)c(CC#N)cc1O ZINC000575667561 387321155 /nfs/dbraw/zinc/32/11/55/387321155.db2.gz QBAAPLJYABWHBB-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN N#CCc1c(O)cc(C(F)F)cc1F ZINC000575668603 387324042 /nfs/dbraw/zinc/32/40/42/387324042.db2.gz SNRRTFWLNOEHMP-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN Cc1c(OC(F)F)cc(CC#N)cc1[N+](=O)[O-] ZINC000575668994 387325865 /nfs/dbraw/zinc/32/58/65/387325865.db2.gz WQZMLNOVSCRRGS-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN CC(C)(C)OC(=O)N[C@@]1(C#N)CCC(C)(C)C1 ZINC000575497458 387328129 /nfs/dbraw/zinc/32/81/29/387328129.db2.gz VORGFLGWUCTGRP-ZDUSSCGKSA-N 0 0 238.331 2.984 10 30 BFEERN CCOc1cc(C#N)c(OC(F)(F)F)cc1F ZINC000575669829 387330603 /nfs/dbraw/zinc/33/06/03/387330603.db2.gz ABABAGBTEQBCIM-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN N#Cc1cc([N+](=O)[O-])c(C(F)F)cc1F ZINC000575669804 387330940 /nfs/dbraw/zinc/33/09/40/387330940.db2.gz ORQQUQMZOYBDQC-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN N#Cc1cc(C(F)F)cc(F)c1[N+](=O)[O-] ZINC000575669948 387333144 /nfs/dbraw/zinc/33/31/44/387333144.db2.gz TWBXNHKANGLOJU-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN CC(C)(C)OC(=O)NC1(C#N)CC(C)(C)C1 ZINC000575497694 387334329 /nfs/dbraw/zinc/33/43/29/387334329.db2.gz YTLXDUIDLQKZLG-UHFFFAOYSA-N 0 0 224.304 2.593 10 30 BFEERN Cc1c(C#N)cc(C(F)F)cc1[N+](=O)[O-] ZINC000575671343 387337908 /nfs/dbraw/zinc/33/79/08/387337908.db2.gz JDPIEANNTASSJZ-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN Cc1cc(C(F)(F)F)c(CC#N)cc1[N+](=O)[O-] ZINC000575674425 387345090 /nfs/dbraw/zinc/34/50/90/387345090.db2.gz SJRZRMJSXIOQSF-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN N#CCc1c(N)cc(Cl)cc1Br ZINC000575714860 387428437 /nfs/dbraw/zinc/42/84/37/387428437.db2.gz UTLYWTXCTNNGFC-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN CCc1cc(N)c(CC#N)c(C(F)(F)F)c1 ZINC000575718787 387429405 /nfs/dbraw/zinc/42/94/05/387429405.db2.gz POJXMCIANVYVJC-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN N#CCc1cc(Cl)cc(N)c1OC(F)F ZINC000575715270 387430232 /nfs/dbraw/zinc/43/02/32/387430232.db2.gz ZNCAQDIJFGLKFM-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN N#CCc1cc(Cl)cc(Cl)c1N ZINC000575716192 387432241 /nfs/dbraw/zinc/43/22/41/387432241.db2.gz MRTSMFFVMDTVIV-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN C=CC(=O)c1ccc(F)c(Cl)c1F ZINC000575517622 387432249 /nfs/dbraw/zinc/43/22/49/387432249.db2.gz LQNIEYXCBJSLFB-UHFFFAOYSA-N 0 0 202.587 2.987 10 30 BFEERN CCOc1cc(C(F)(F)F)c(CC#N)cc1N ZINC000575717005 387435418 /nfs/dbraw/zinc/43/54/18/387435418.db2.gz AMJHFSFTRPBXEW-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN CCOc1cc(CC#N)cc(CC)c1[N+](=O)[O-] ZINC000575696984 387397710 /nfs/dbraw/zinc/39/77/10/387397710.db2.gz PQMULEURAVMUED-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN CCOc1c(CC)cc([N+](=O)[O-])cc1CC#N ZINC000575697143 387399402 /nfs/dbraw/zinc/39/94/02/387399402.db2.gz VDLMQHHEIMQISB-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN N#CCc1cc(N)cc(Cl)c1Br ZINC000575714407 387410886 /nfs/dbraw/zinc/41/08/86/387410886.db2.gz NLJBCGZANCBAMJ-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN COc1ccc(CC#N)c(C(F)(F)F)c1F ZINC000575708246 387411645 /nfs/dbraw/zinc/41/16/45/387411645.db2.gz NMKVLZFKSIQPFN-UHFFFAOYSA-N 0 0 233.164 2.919 10 30 BFEERN N#CCc1cc(Cl)c(N)cc1OC(F)F ZINC000575714206 387419138 /nfs/dbraw/zinc/41/91/38/387419138.db2.gz DUPWMOPLCHEYHR-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN N#CCc1cc(Br)cc(N)c1Cl ZINC000575714028 387419169 /nfs/dbraw/zinc/41/91/69/387419169.db2.gz JBCSNBYWJBFQEN-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN O=C(/C=C/Cl)c1ccncc1Cl ZINC000575517594 387419651 /nfs/dbraw/zinc/41/96/51/387419651.db2.gz QISOPNCNVYJMSP-HNQUOIGGSA-N 0 0 202.040 2.670 10 30 BFEERN CC(C)(C)C#CC(=O)c1ccc(O)cc1 ZINC000584627009 387503663 /nfs/dbraw/zinc/50/36/63/387503663.db2.gz BPKRMDAFQIQTOO-UHFFFAOYSA-N 0 0 202.253 2.624 10 30 BFEERN Cc1coc2c1C[C@@H]1O[C@]1(C)CC[C@H]1O[C@@]1(C)C2 ZINC000103076654 387473156 /nfs/dbraw/zinc/47/31/56/387473156.db2.gz FNQFNSGVMLMZNV-BARDWOONSA-N 0 0 248.322 2.782 10 30 endogenous,in-man BFEERN C/C=C/C=C/C(=O)c1ccc(O)c(C)c1O ZINC000013335227 387820414 /nfs/dbraw/zinc/82/04/14/387820414.db2.gz GHQDBAZVONWVHX-VNKDHWASSA-N 0 0 218.252 2.721 10 30 BFEERN CC#CCCOc1ccc(Cl)cc1N ZINC000160999823 387830024 /nfs/dbraw/zinc/83/00/24/387830024.db2.gz LJVOWHUOGVSEDM-UHFFFAOYSA-N 0 0 209.676 2.714 10 30 BFEERN CCOc1cccc(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000054825524 387830100 /nfs/dbraw/zinc/83/01/00/387830100.db2.gz JRGLZXMUDLOWKC-ZFWWWQNUSA-N 0 0 244.338 2.867 10 30 BFEERN Cc1cc(C#N)cc(CC#N)c1OC(F)F ZINC000575639570 387836896 /nfs/dbraw/zinc/83/68/96/387836896.db2.gz BAENIKLDRVNDRL-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CCOc1c(C#N)cc(C(F)F)cc1CC#N ZINC000575640304 387838317 /nfs/dbraw/zinc/83/83/17/387838317.db2.gz GBKSVYNAJNXBQG-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN Cc1cc(C#N)c(OC(F)F)cc1CC#N ZINC000575641038 387840663 /nfs/dbraw/zinc/84/06/63/387840663.db2.gz MHFOXOZAZITGTJ-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CCOc1cc(CC#N)cc(C(F)F)c1C#N ZINC000575641191 387841012 /nfs/dbraw/zinc/84/10/12/387841012.db2.gz LPOBUQOMAJYKFM-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN CCc1c(CC#N)cc(C#N)cc1OC(F)F ZINC000575641771 387844873 /nfs/dbraw/zinc/84/48/73/387844873.db2.gz YNVSNBMRVAMBPD-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1cccc(Cl)c1 ZINC000061888632 387848709 /nfs/dbraw/zinc/84/87/09/387848709.db2.gz HRCCTXDPPQYUDT-PWSUYJOCSA-N 0 0 248.713 2.762 10 30 BFEERN Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C#N)c1C ZINC000061888618 387848772 /nfs/dbraw/zinc/84/87/72/387848772.db2.gz HWUSMLSHGRMXBJ-JSGCOSHPSA-N 0 0 242.322 2.726 10 30 BFEERN Cc1ccc(F)cc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000062665686 387856404 /nfs/dbraw/zinc/85/64/04/387856404.db2.gz AYJFTZOCFRNWMT-ZWNOBZJWSA-N 0 0 246.285 2.556 10 30 BFEERN Cc1ccc(CC#N)c(C)c1OC(F)F ZINC000575652895 387893182 /nfs/dbraw/zinc/89/31/82/387893182.db2.gz MYBLSIDTNBIQCF-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN CCc1ccc(F)c(C#N)c1OC(F)F ZINC000575653308 387894099 /nfs/dbraw/zinc/89/40/99/387894099.db2.gz FDULEKWLBUNSEF-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1ccc(OC(F)F)c(F)c1C#N ZINC000575653350 387896412 /nfs/dbraw/zinc/89/64/12/387896412.db2.gz FQGDDUJNPRJXFS-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1cc(C#N)cc(OC(F)F)c1F ZINC000575654276 387897451 /nfs/dbraw/zinc/89/74/51/387897451.db2.gz XWWNWOWZSTZSEJ-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1c(F)ccc(C#N)c1OC(F)F ZINC000575654331 387897796 /nfs/dbraw/zinc/89/77/96/387897796.db2.gz ZFMUNKQAHOESJA-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN C[C@@H](C#N)N1CC=C(c2ccccc2)CC1 ZINC000194262984 387876864 /nfs/dbraw/zinc/87/68/64/387876864.db2.gz UIQWFUCILMRSJR-LBPRGKRZSA-N 0 0 212.296 2.688 10 30 BFEERN N#CCc1cc(F)c(C#N)c(OC(F)(F)F)c1 ZINC000575645177 387879018 /nfs/dbraw/zinc/87/90/18/387879018.db2.gz DGLBRGZBRIKALF-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN COc1c(C#N)ccc(C(F)(F)F)c1CC#N ZINC000575646165 387879747 /nfs/dbraw/zinc/87/97/47/387879747.db2.gz IALZCMBILQCRTI-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN C=CCCCC(=O)N[C@H]1COc2ccccc21 ZINC000175473253 387907879 /nfs/dbraw/zinc/90/78/79/387907879.db2.gz LKLZMGZWVVCEFH-LBPRGKRZSA-N 0 0 231.295 2.593 10 30 BFEERN C[C@@H]1CCC[C@@]1(O)c1cccc(C#N)c1 ZINC000521401777 256517233 /nfs/dbraw/zinc/51/72/33/256517233.db2.gz OYCXERHTPDZLNM-MFKMUULPSA-N 0 0 201.269 2.566 10 30 BFEERN CCc1ccc2oc(=O)c(C#N)c(C)c2c1 ZINC000002574000 388345469 /nfs/dbraw/zinc/34/54/69/388345469.db2.gz KEOVWHIQWTZFNU-UHFFFAOYSA-N 0 0 213.236 2.536 10 30 BFEERN CCOC(=O)c1c(F)ccc(C#N)c1C(F)F ZINC000575389409 388492454 /nfs/dbraw/zinc/49/24/54/388492454.db2.gz GKDXYXSMHPFYAK-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CC[C@H]1C[C@H]1Nc1cc(C#N)ccc1C(C)=O ZINC000302133818 388619303 /nfs/dbraw/zinc/61/93/03/388619303.db2.gz ZBHMLWGKPUEQNV-WCQYABFASA-N 0 0 228.295 2.971 10 30 BFEERN C[C@H]1CCC[C@H]1C(=O)N(C)c1ccc(C#N)cc1 ZINC000230058398 388632281 /nfs/dbraw/zinc/63/22/81/388632281.db2.gz VJZGPZCVOJIEBH-SMDDNHRTSA-N 0 0 242.322 2.957 10 30 BFEERN N#C[C@@]1(NCc2ccccc2)C[C@H]2C=C[C@@H]1C2 ZINC000575453358 388749028 /nfs/dbraw/zinc/74/90/28/388749028.db2.gz FCZGYQQEVSPHGB-ZNMIVQPWSA-N 0 0 224.307 2.635 10 30 BFEERN C=CC(C)(C)C[NH2+]Cc1csc(COC)n1 ZINC000648733030 388755006 /nfs/dbraw/zinc/75/50/06/388755006.db2.gz MQACYVMUYIVDBA-UHFFFAOYSA-N 0 0 240.372 2.591 10 30 BFEERN Cc1ccsc1C=Nc1cccc(C(N)=O)c1 ZINC000254556163 388824491 /nfs/dbraw/zinc/82/44/91/388824491.db2.gz FDUWDSQHDBQYFP-UHFFFAOYSA-N 0 0 244.319 2.906 10 30 BFEERN C=C(C)CSCc1nnc(C2CC2)n1C ZINC000091030490 533531372 /nfs/dbraw/zinc/53/13/72/533531372.db2.gz VKOVIZSQPVJRAL-UHFFFAOYSA-N 0 0 223.345 2.502 10 30 BFEERN N#Cc1ccc(N2CCC[C@H]3CCCC[C@H]32)nn1 ZINC000301928004 132308302 /nfs/dbraw/zinc/30/83/02/132308302.db2.gz NIOJAPMSSLAXCM-DGCLKSJQSA-N 0 0 242.326 2.507 10 30 BFEERN C[C@@H](C#N)CN1CCCc2ccccc21 ZINC000031945916 132334766 /nfs/dbraw/zinc/33/47/66/132334766.db2.gz SZGSRJZHFKRBLB-NSHDSACASA-N 0 0 200.285 2.599 10 30 BFEERN CCCC1CCN(c2ncc(N)cc2C#N)CC1 ZINC000050893700 132359469 /nfs/dbraw/zinc/35/94/69/132359469.db2.gz OUWLXLIDVSINNU-UHFFFAOYSA-N 0 0 244.342 2.552 10 30 BFEERN C=CC[C@H](C)NC(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000117808089 133524756 /nfs/dbraw/zinc/52/47/56/133524756.db2.gz COOMKQFUEASWHS-MISXGVKJSA-N 0 0 245.322 2.632 10 30 BFEERN CC1(C)C[C@@H]1c1noc(C2(C#N)CCCC2)n1 ZINC000336011804 134051548 /nfs/dbraw/zinc/05/15/48/134051548.db2.gz ZYRUMODWVPPUJR-SECBINFHSA-N 0 0 231.299 2.918 10 30 BFEERN CC1(C)CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000336033057 134058872 /nfs/dbraw/zinc/05/88/72/134058872.db2.gz KMOMXALZQKMSJC-VXGBXAGGSA-N 0 0 249.358 2.510 10 30 BFEERN COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1C#N ZINC000336113889 134087678 /nfs/dbraw/zinc/08/76/78/134087678.db2.gz DZAGJRANMMPRMX-JSGCOSHPSA-N 0 0 242.322 2.551 10 30 BFEERN CC[C@](C)(C#N)C(=O)N1CCC12CCCCC2 ZINC000367618661 134216012 /nfs/dbraw/zinc/21/60/12/134216012.db2.gz UBGRRFGQOBZVDL-CYBMUJFWSA-N 0 0 234.343 2.861 10 30 BFEERN CC[C@H](C#N)NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000181336246 134335658 /nfs/dbraw/zinc/33/56/58/134335658.db2.gz OOYDGPNGHGWFMP-SDDRHHMPSA-N 0 0 236.359 2.867 10 30 BFEERN C[C@@H](C#N)N1CCCC2(CCCCC2)C1 ZINC000181871589 134339828 /nfs/dbraw/zinc/33/98/28/134339828.db2.gz VXMBVYVWJGMRBD-LBPRGKRZSA-N 0 0 206.333 2.945 10 30 BFEERN CC[C@H](C#N)NC(=O)[C@@H]1C[C@@H]1c1ccccc1C ZINC000076985322 134409642 /nfs/dbraw/zinc/40/96/42/134409642.db2.gz UDCZKOAVKWULPF-MRVWCRGKSA-N 0 0 242.322 2.517 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000230176685 134487139 /nfs/dbraw/zinc/48/71/39/134487139.db2.gz POTBDSMIWQLRAI-VXGBXAGGSA-N 0 0 234.343 2.575 10 30 BFEERN CC[C@H]1C[C@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000231717358 134543797 /nfs/dbraw/zinc/54/37/97/134543797.db2.gz LIIZCLZQIVDVAQ-GZMMTYOYSA-N 0 0 231.255 2.677 10 30 BFEERN C[C@@H](C#N)N1CCC[C@H]1c1cccc(N(C)C)c1 ZINC000248464874 135011854 /nfs/dbraw/zinc/01/18/54/135011854.db2.gz RHCFPBIWQYPYKX-WFASDCNBSA-N 0 0 243.354 2.802 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1csc(C2CC2)n1 ZINC000342785745 135318582 /nfs/dbraw/zinc/31/85/82/135318582.db2.gz SLCFTQYGPDWZRB-CMPLNLGQSA-N 0 0 247.367 2.802 10 30 BFEERN Cc1scc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1C ZINC000334234536 135398774 /nfs/dbraw/zinc/39/87/74/135398774.db2.gz ZVOKXGISVQCKHC-PWSUYJOCSA-N 0 0 248.351 2.787 10 30 BFEERN Cc1cc([C@H](C)Nc2cnc(C#N)cn2)c(C)o1 ZINC000083647221 135452466 /nfs/dbraw/zinc/45/24/66/135452466.db2.gz NVJIWQTZVONUFH-VIFPVBQESA-N 0 0 242.282 2.731 10 30 BFEERN CCC[C@@H]1C[C@@H]1NC(=O)[C@@H]1CCCC(=O)N1 ZINC000328899016 135468093 /nfs/dbraw/zinc/46/80/93/135468093.db2.gz YLUSOWBSPGMSOM-UTLUCORTSA-N 0 0 224.304 2.641 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@H]1C[C@@H]1C1CC1 ZINC000328924296 135469257 /nfs/dbraw/zinc/46/92/57/135469257.db2.gz VJFYFRPYZHSLHU-USZNOCQGSA-N 0 0 218.300 2.681 10 30 BFEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000094239598 135543155 /nfs/dbraw/zinc/54/31/55/135543155.db2.gz BCCRCERYQJMTTK-ZWNOBZJWSA-N 0 0 246.285 2.556 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)CC1=CCCCC1 ZINC000334639980 135803824 /nfs/dbraw/zinc/80/38/24/135803824.db2.gz WEOLGTUNLJRBEM-CHWSQXEVSA-N 0 0 232.327 2.685 10 30 BFEERN N#Cc1cccc(C2(O)CCCCC2)c1 ZINC000238655113 397939812 /nfs/dbraw/zinc/93/98/12/397939812.db2.gz FRSYFYNENHEASM-UHFFFAOYSA-N 0 0 201.269 2.710 10 30 BFEERN C[C@@H]1CC(CNc2ccnc(C#N)c2)C[C@@H](C)O1 ZINC000286145956 397948716 /nfs/dbraw/zinc/94/87/16/397948716.db2.gz AFPMZMZIUGRKOP-GHMZBOCLSA-N 0 0 245.326 2.569 10 30 BFEERN Cc1c(CC#N)c(Cl)ccc1[N+](=O)[O-] ZINC000307180822 398011420 /nfs/dbraw/zinc/01/14/20/398011420.db2.gz POPKUZVIGZYWNW-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN CNc1nc(-c2ccccc2)c(C#N)s1 ZINC000075625433 397973093 /nfs/dbraw/zinc/97/30/93/397973093.db2.gz DPCDSUIWTNJZNB-UHFFFAOYSA-N 0 0 215.281 2.723 10 30 BFEERN COc1cc(C)c(CC#N)c(OC(F)F)c1 ZINC000575664180 398042041 /nfs/dbraw/zinc/04/20/41/398042041.db2.gz CYBRMQOWRACSSU-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN C#CCCCCC(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000362026004 397979105 /nfs/dbraw/zinc/97/91/05/397979105.db2.gz UXXLHOWJPUDSNV-UONOGXRCSA-N 0 0 233.355 2.971 10 30 BFEERN OC1(CC#CCc2ccccc2)CCCC1 ZINC000616581273 398042849 /nfs/dbraw/zinc/04/28/49/398042849.db2.gz LKBMOYDOBNVUIR-UHFFFAOYSA-N 0 0 214.308 2.928 10 30 BFEERN CCOc1cc(CC)cc([N+](=O)[O-])c1CC#N ZINC000575697531 398057649 /nfs/dbraw/zinc/05/76/49/398057649.db2.gz YAFPVESXLPFQIP-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1cc(F)ccc1F ZINC000061891821 398107595 /nfs/dbraw/zinc/10/75/95/398107595.db2.gz IPOQBNKMGTUHBH-ZANVPECISA-N 0 0 236.265 2.747 10 30 BFEERN CC1(CC2(C=O)CCOCC2)CCCC1 ZINC000306217761 398130213 /nfs/dbraw/zinc/13/02/13/398130213.db2.gz QVVBQHOOCIGANX-UHFFFAOYSA-N 0 0 210.317 2.953 10 30 BFEERN CC(C)(C#N)CNc1csc(Cl)n1 ZINC000306229257 398133385 /nfs/dbraw/zinc/13/33/85/398133385.db2.gz YDSXUIMVRVLOSD-UHFFFAOYSA-N 0 0 215.709 2.758 10 30 BFEERN Fc1ccc(C#Cc2cccnc2)cc1F ZINC000116292453 409668930 /nfs/dbraw/zinc/66/89/30/409668930.db2.gz NUYDVCFKCRWROB-UHFFFAOYSA-N 0 0 215.202 2.760 10 30 BFEERN C=CCNC(=O)CCCOc1ccc(CC)cc1 ZINC000005657861 166363927 /nfs/dbraw/zinc/36/39/27/166363927.db2.gz NWFMCTWDMGESQZ-UHFFFAOYSA-N 0 0 247.338 2.710 10 30 BFEERN C=CCNCC(=O)c1ccc(C(C)C)cc1 ZINC000041611910 166399598 /nfs/dbraw/zinc/39/95/98/166399598.db2.gz YYNOMUAQVIPXBQ-UHFFFAOYSA-N 0 0 217.312 2.768 10 30 BFEERN CC(C)(C)OC(=O)N1CCc2cccc(C#N)c21 ZINC000076188333 166654982 /nfs/dbraw/zinc/65/49/82/166654982.db2.gz PHEANMRKNYQFFI-UHFFFAOYSA-N 0 0 244.294 2.856 10 30 BFEERN CC(C)Oc1ccc(N[C@@H](C)C#N)cc1 ZINC000043514743 167297375 /nfs/dbraw/zinc/29/73/75/167297375.db2.gz GDCZCQKOTLWQMH-JTQLQIEISA-N 0 0 204.273 2.798 10 30 BFEERN N#C[C@@]1(c2ccc(F)c3ccccc32)C[C@H]1CO ZINC000584653813 411171111 /nfs/dbraw/zinc/17/11/11/411171111.db2.gz IAXKIBTXEXNFMK-BONVTDFDSA-N 0 0 241.265 2.752 10 30 BFEERN C[Si](C)(C)C#Cc1c[nH]c2ncnc(Cl)c12 ZINC000195852526 411197591 /nfs/dbraw/zinc/19/75/91/411197591.db2.gz LUEXWAYNAPWKRW-UHFFFAOYSA-N 0 0 249.777 2.840 10 30 BFEERN CC(C)(C)OC(=O)N1CCC(C)(S)CC1 ZINC000095083463 168071963 /nfs/dbraw/zinc/07/19/63/168071963.db2.gz HDVSTONELRABSX-UHFFFAOYSA-N 0 0 231.361 2.706 10 30 BFEERN CC1=CC(=O)CC(C)(C)[C@H]1CC[C@@H](C)O ZINC000100235850 168090667 /nfs/dbraw/zinc/09/06/67/168090667.db2.gz UEEJDIUOCUCVHN-PWSUYJOCSA-N 0 0 210.317 2.709 10 30 in-vitro,metabolite BFEERN CC1CCC(C#N)(NC2CCCC2)CC1 ZINC000020177990 168149776 /nfs/dbraw/zinc/14/97/76/168149776.db2.gz AMXXVZSRVNPTKO-UHFFFAOYSA-N 0 0 206.333 2.991 10 30 BFEERN CC1CCC(CNc2ncc(N)cc2C#N)CC1 ZINC000063145052 168156133 /nfs/dbraw/zinc/15/61/33/168156133.db2.gz LOHDCODHEKSZQK-UHFFFAOYSA-N 0 0 244.342 2.774 10 30 BFEERN CC1CCC(Nc2ncc(N)cc2C#N)CC1 ZINC000037758915 168165519 /nfs/dbraw/zinc/16/55/19/168165519.db2.gz WOXAAVXHEKCNMY-UHFFFAOYSA-N 0 0 230.315 2.526 10 30 BFEERN CCC(C)(C)NC(=O)C1(C#N)CCCCC1 ZINC000044764504 168288723 /nfs/dbraw/zinc/28/87/23/168288723.db2.gz IDRKNXUQUWKEGU-UHFFFAOYSA-N 0 0 222.332 2.765 10 30 BFEERN CCC(C)(C)Nc1nnc(C)c(C)c1C#N ZINC000040290697 168303179 /nfs/dbraw/zinc/30/31/79/168303179.db2.gz IPCKECYQYHHMPN-UHFFFAOYSA-N 0 0 218.304 2.566 10 30 BFEERN CCNC1=CC(=O)C[C@@H](c2cccc(C)c2)C1 ZINC000058836402 170108270 /nfs/dbraw/zinc/10/82/70/170108270.db2.gz HLHJMYZOHAAWFD-ZDUSSCGKSA-N 0 0 229.323 2.935 10 30 BFEERN CCNC1=CC(=O)C[C@H](c2cccc(C)c2)C1 ZINC000058836397 170108481 /nfs/dbraw/zinc/10/84/81/170108481.db2.gz HLHJMYZOHAAWFD-CYBMUJFWSA-N 0 0 229.323 2.935 10 30 BFEERN CCN[C@@H](C#N)c1ccc(OC)c(Cl)c1 ZINC000077337627 170138110 /nfs/dbraw/zinc/13/81/10/170138110.db2.gz ZRRKNBZCMCUEAS-JTQLQIEISA-N 0 0 224.691 2.523 10 30 BFEERN CCN[C@@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000020379001 170138296 /nfs/dbraw/zinc/13/82/96/170138296.db2.gz HBIWSGDFQHEGJL-JTQLQIEISA-N 0 0 228.217 2.880 10 30 BFEERN CCN[C@@]1(C#N)CCSc2ccccc21 ZINC000020379732 170155040 /nfs/dbraw/zinc/15/50/40/170155040.db2.gz FSFUSKUFQITOCC-GFCCVEGCSA-N 0 0 218.325 2.511 10 30 BFEERN CCN[C@H](C#N)c1cccc(OC(C)C)c1 ZINC000020176755 170155685 /nfs/dbraw/zinc/15/56/85/170155685.db2.gz OLOCWKNKQARJTA-CYBMUJFWSA-N 0 0 218.300 2.648 10 30 BFEERN CCN[C@H](C#N)c1ccc(OC(C)C)cc1 ZINC000020176498 170155728 /nfs/dbraw/zinc/15/57/28/170155728.db2.gz LSLBOHSMTXVVCP-CYBMUJFWSA-N 0 0 218.300 2.648 10 30 BFEERN CCN[C@](C)(C#N)c1ccc(Cl)cc1 ZINC000026513822 170170512 /nfs/dbraw/zinc/17/05/12/170170512.db2.gz PPPYXGLDMWVTLU-LLVKDONJSA-N 0 0 208.692 2.688 10 30 BFEERN CCN[C@]1(C#N)CCSc2ccccc21 ZINC000020379735 170170711 /nfs/dbraw/zinc/17/07/11/170170711.db2.gz FSFUSKUFQITOCC-LBPRGKRZSA-N 0 0 218.325 2.511 10 30 BFEERN CCOC(=O)N(CCC#N)c1ccccc1 ZINC000019504915 170238567 /nfs/dbraw/zinc/23/85/67/170238567.db2.gz HLYZGRMHMILZOL-UHFFFAOYSA-N 0 0 218.256 2.563 10 30 BFEERN CCOC(=O)c1cc2ccc(C#N)cc2s1 ZINC000082297859 170293868 /nfs/dbraw/zinc/29/38/68/170293868.db2.gz HCEVVHSCSMVRFG-UHFFFAOYSA-N 0 0 231.276 2.950 10 30 BFEERN CC[C@@H](C#N)N[C@H]1CCc2ccccc21 ZINC000043540226 170659860 /nfs/dbraw/zinc/65/98/60/170659860.db2.gz AOCFSAYKLWMXKD-AAEUAGOBSA-N 0 0 200.285 2.566 10 30 BFEERN CC[C@@H](C#N)Oc1ccc(N)c(Cl)c1 ZINC000050471242 170660294 /nfs/dbraw/zinc/66/02/94/170660294.db2.gz ALYQHLIGPCNNFI-ZETCQYMHSA-N 0 0 210.664 2.603 10 30 BFEERN CC[C@@H](C)N[C@@H](C#N)c1cc(OC)cc(OC)c1 ZINC000038064418 170755260 /nfs/dbraw/zinc/75/52/60/170755260.db2.gz XUBPAPNKKYCWDD-YGRLFVJLSA-N 0 0 248.326 2.657 10 30 BFEERN CC[C@@H](C)N[C@@H](C#N)c1ccc(F)cc1F ZINC000038064576 170755404 /nfs/dbraw/zinc/75/54/04/170755404.db2.gz XZICAEGFMUUCFE-PELKAZGASA-N 0 0 224.254 2.918 10 30 BFEERN CC[C@@H](Nc1ccc(C)c(C#N)n1)C(C)C ZINC000336737637 170873214 /nfs/dbraw/zinc/87/32/14/170873214.db2.gz NMFQJNZVPOQTEM-LLVKDONJSA-N 0 0 217.316 2.530 10 30 BFEERN CC[C@@H]1C[C@H]1Nc1cc(C)nc(C)c1C#N ZINC000227593772 171142531 /nfs/dbraw/zinc/14/25/31/171142531.db2.gz NCANUCULUISVTF-ZYHUDNBSSA-N 0 0 215.300 2.781 10 30 BFEERN CC[C@H](C)CN(C)C(=O)[C@@H](C#N)c1ccccc1 ZINC000061614405 171271091 /nfs/dbraw/zinc/27/10/91/171271091.db2.gz OIVVLFCBYVIRQO-JSGCOSHPSA-N 0 0 244.338 2.798 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1ccc2c(c1)CCO2 ZINC000038064503 171344901 /nfs/dbraw/zinc/34/49/01/171344901.db2.gz SALFTMWALMQCSB-GWCFXTLKSA-N 0 0 230.311 2.574 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1cc(OC)ccc1OC ZINC000038064355 171345190 /nfs/dbraw/zinc/34/51/90/171345190.db2.gz HZCDHBSGTTVGIJ-GWCFXTLKSA-N 0 0 248.326 2.657 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1cccc(C#N)c1 ZINC000038064555 171345455 /nfs/dbraw/zinc/34/54/55/171345455.db2.gz OKXVPMVOZSXJEH-GWCFXTLKSA-N 0 0 213.284 2.511 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1ccc(C#N)cc1 ZINC000038064633 171345473 /nfs/dbraw/zinc/34/54/73/171345473.db2.gz CJDSHKRTTOSYND-GWCFXTLKSA-N 0 0 213.284 2.511 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1ccc(F)cc1F ZINC000038064579 171346861 /nfs/dbraw/zinc/34/68/61/171346861.db2.gz XZICAEGFMUUCFE-QPUJVOFHSA-N 0 0 224.254 2.918 10 30 BFEERN CC[C@H](C)SCc1ccc(/C(N)=N/O)cc1 ZINC000019870297 171357299 /nfs/dbraw/zinc/35/72/99/171357299.db2.gz APXKMZPIMMACPO-VIFPVBQESA-N 0 0 238.356 2.813 10 30 BFEERN CC[C@H](NC(=O)Cc1ccc(C#N)cc1)C(C)C ZINC000070158927 171499887 /nfs/dbraw/zinc/49/98/87/171499887.db2.gz MNCWRZVNKMVODW-AWEZNQCLSA-N 0 0 244.338 2.652 10 30 BFEERN CCc1ccc(C(=O)[C@@H](C)CC#N)cc1 ZINC000048259106 171788399 /nfs/dbraw/zinc/78/83/99/171788399.db2.gz BVBMTNSUDVCYLW-JTQLQIEISA-N 0 0 201.269 2.981 10 30 BFEERN CCc1nc2cccc(CCC#N)c2o1 ZINC000039100619 172013887 /nfs/dbraw/zinc/01/38/87/172013887.db2.gz RHAPWRFHVCLING-UHFFFAOYSA-N 0 0 200.241 2.846 10 30 BFEERN CN(/N=C/c1ccccc1O)c1ccccc1 ZINC000007350954 172292128 /nfs/dbraw/zinc/29/21/28/172292128.db2.gz YSCBOGOREILTNU-RVDMUPIBSA-N 0 0 226.279 2.863 10 30 BFEERN CN(C(=O)OC(C)(C)C)[C@H](C#N)c1ccco1 ZINC000049828053 172325658 /nfs/dbraw/zinc/32/56/58/172325658.db2.gz DKFYGZUUDCHUJZ-SECBINFHSA-N 0 0 236.271 2.711 10 30 BFEERN CN(C)/C=C\C(=O)c1ccccc1Cl ZINC000102422734 172350806 /nfs/dbraw/zinc/35/08/06/172350806.db2.gz GIXVYAAKABCDLP-FPLPWBNLSA-N 0 0 209.676 2.598 10 30 BFEERN CN(CCC#N)c1cccc(Br)c1 ZINC000049829492 172667150 /nfs/dbraw/zinc/66/71/50/172667150.db2.gz IESPWTJGLMYQPX-UHFFFAOYSA-N 0 0 239.116 2.799 10 30 BFEERN CN(c1ccccc1)c1cc(C#N)ccn1 ZINC000019440614 172950643 /nfs/dbraw/zinc/95/06/43/172950643.db2.gz XVMAGOJWZDPDRP-UHFFFAOYSA-N 0 0 209.252 2.721 10 30 BFEERN CNC1(C#N)CCC(c2ccccc2)CC1 ZINC000020378713 173321117 /nfs/dbraw/zinc/32/11/17/173321117.db2.gz NIYJZYAJLIKOEQ-UHFFFAOYSA-N 0 0 214.312 2.826 10 30 BFEERN CNC1=C(C(=O)C(F)(F)C(F)F)CCCC1 ZINC000043463559 173322192 /nfs/dbraw/zinc/32/21/92/173322192.db2.gz FYRIGSBXGIQJDG-UHFFFAOYSA-N 0 0 239.212 2.503 10 30 BFEERN CN[C@H](C#N)CCOc1ccccc1C(C)(C)C ZINC000019666986 173441184 /nfs/dbraw/zinc/44/11/84/173441184.db2.gz NFVOACDAYPXMLS-LBPRGKRZSA-N 0 0 246.354 2.865 10 30 BFEERN CNc1cc(COc2ccc(C#N)cc2)ccn1 ZINC000052754529 173474273 /nfs/dbraw/zinc/47/42/73/173474273.db2.gz YPGKOPCTUKTBIL-UHFFFAOYSA-N 0 0 239.278 2.574 10 30 BFEERN COC(=O)c1cc2cc(C#N)ccc2s1 ZINC000139125034 173863524 /nfs/dbraw/zinc/86/35/24/173863524.db2.gz YFASDULUSJYUSP-UHFFFAOYSA-N 0 0 217.249 2.560 10 30 BFEERN COC1(CNc2cc(C)nc(C)c2C#N)CCC1 ZINC000227304908 174004863 /nfs/dbraw/zinc/00/48/63/174004863.db2.gz XQVVFEXEQVQLNZ-UHFFFAOYSA-N 0 0 245.326 2.551 10 30 BFEERN COCCN[C@@H](C#N)c1ccc(C(C)C)cc1 ZINC000020174410 174336983 /nfs/dbraw/zinc/33/69/83/174336983.db2.gz KJDSLYLGISZWBW-AWEZNQCLSA-N 0 0 232.327 2.611 10 30 BFEERN COc1ccc(/N=C/c2ccc(O)c(O)c2)cc1 ZINC000059458857 175049500 /nfs/dbraw/zinc/04/95/00/175049500.db2.gz QTLPQIYWLKHMNJ-OQLLNIDSSA-N 0 0 243.262 2.857 10 30 BFEERN COc1ccc(C)cc1CN[C@@H]1CCC[C@H]1C#N ZINC000061891916 175076319 /nfs/dbraw/zinc/07/63/19/175076319.db2.gz HDEGVAILYTUFOH-GXTWGEPZSA-N 0 0 244.338 2.786 10 30 BFEERN COc1ccc(C)cc1NCCCC#N ZINC000020048898 175078699 /nfs/dbraw/zinc/07/86/99/175078699.db2.gz JXSMOHGVENKOJC-UHFFFAOYSA-N 0 0 204.273 2.719 10 30 BFEERN COc1ccc(C)cc1[C@H](C#N)C(=O)C1CC1 ZINC000036930978 175081197 /nfs/dbraw/zinc/08/11/97/175081197.db2.gz XTXCVUYKERHDRK-LBPRGKRZSA-N 0 0 229.279 2.590 10 30 BFEERN COc1ccc(CC[C@](C)(C#N)NC(C)C)cc1 ZINC000037846547 175094077 /nfs/dbraw/zinc/09/40/77/175094077.db2.gz QUVVGIFHSUKOIS-OAHLLOKOSA-N 0 0 246.354 2.908 10 30 BFEERN COc1ccc(N[C@]2(C#N)CCCSC2)cc1 ZINC000061590347 175156194 /nfs/dbraw/zinc/15/61/94/175156194.db2.gz LVNAOBXPIOLOEC-ZDUSSCGKSA-N 0 0 248.351 2.896 10 30 BFEERN COc1ccc([C@@H](C#N)C(=O)C(C)C)cc1OC ZINC000036931128 175175637 /nfs/dbraw/zinc/17/56/37/175175637.db2.gz MJJYLHSFEQQYLO-LLVKDONJSA-N 0 0 247.294 2.536 10 30 BFEERN COc1ccc([C@H](C#N)c2ccccn2)cc1 ZINC000032014786 175187538 /nfs/dbraw/zinc/18/75/38/175187538.db2.gz QDMAFCQMTITPDU-ZDUSSCGKSA-N 0 0 224.263 2.746 10 30 BFEERN COc1cccc(-c2nc(CC#N)cs2)c1 ZINC000061798177 175235932 /nfs/dbraw/zinc/23/59/32/175235932.db2.gz FIYKUELYQYVCFS-UHFFFAOYSA-N 0 0 230.292 2.885 10 30 BFEERN COc1cccc([C@@H](C#N)C(=O)CC2CC2)c1 ZINC000049730749 175286007 /nfs/dbraw/zinc/28/60/07/175286007.db2.gz WUVOBBIAOYADSD-CYBMUJFWSA-N 0 0 229.279 2.672 10 30 BFEERN COc1cccc2c1CCC[C@]2(C#N)CC#N ZINC000082293389 175301252 /nfs/dbraw/zinc/30/12/52/175301252.db2.gz IOCZCZUPCIRFKU-CQSZACIVSA-N 0 0 226.279 2.707 10 30 BFEERN COc1ccccc1N[C@H](C#N)c1cccnc1 ZINC000037938739 175339164 /nfs/dbraw/zinc/33/91/64/175339164.db2.gz BTZSYZMPIVNKCF-CYBMUJFWSA-N 0 0 239.278 2.767 10 30 BFEERN CSc1sc2ccncc2c1C#N ZINC000039123442 175593719 /nfs/dbraw/zinc/59/37/19/175593719.db2.gz LHKRIZHEMZWWPS-UHFFFAOYSA-N 0 0 206.295 2.890 10 30 BFEERN C[C@@H](C#N)C[C@@H](O)c1cccc(Cl)c1 ZINC000049814669 175596948 /nfs/dbraw/zinc/59/69/48/175596948.db2.gz BMAVYUHGBOARGB-LDYMZIIASA-N 0 0 209.676 2.923 10 30 BFEERN C[C@@H](C#N)c1ccc(N)c(Br)c1 ZINC000096912247 175599376 /nfs/dbraw/zinc/59/93/76/175599376.db2.gz LBUGIHSBIFEFMC-LURJTMIESA-N 0 0 225.089 2.658 10 30 BFEERN C[C@@H](CC#N)Nc1cc(F)cc(F)c1F ZINC000061095555 175638706 /nfs/dbraw/zinc/63/87/06/175638706.db2.gz YHLRDLOSFVEQLT-LURJTMIESA-N 0 0 214.190 2.818 10 30 BFEERN C[C@@H](N/C=C/C(=O)C(F)(F)F)c1ccccc1 ZINC000100039377 175822207 /nfs/dbraw/zinc/82/22/07/175822207.db2.gz FVGVHYUYESBBLJ-FCZSHJHJSA-N 0 0 243.228 2.982 10 30 BFEERN C[C@@H](Nc1ncc(N)cc1C#N)c1ccccc1 ZINC000037758862 175937237 /nfs/dbraw/zinc/93/72/37/175937237.db2.gz ZIZQKYXWPVQXEA-SNVBAGLBSA-N 0 0 238.294 2.709 10 30 BFEERN C[C@@H](c1ccccc1)[C@@H](C#N)N1CCCC1 ZINC000041046493 176021599 /nfs/dbraw/zinc/02/15/99/176021599.db2.gz XEWMUCIOJKCBNV-GXTWGEPZSA-N 0 0 214.312 2.778 10 30 BFEERN C[C@@H]1CCCC[C@@H]1Oc1cc(C#N)ccn1 ZINC000019804545 176082511 /nfs/dbraw/zinc/08/25/11/176082511.db2.gz SJCAMRHQSJWXGX-PWSUYJOCSA-N 0 0 216.284 2.911 10 30 BFEERN C[C@@H]1CCCC[C@@H]1Oc1ccc(C#N)cn1 ZINC000019804549 176083001 /nfs/dbraw/zinc/08/30/01/176083001.db2.gz VHRVEAVBKSCQFQ-PWSUYJOCSA-N 0 0 216.284 2.911 10 30 BFEERN C[C@@H]1CCCC[C@H]1CNc1ncc(N)cc1C#N ZINC000042860140 176085494 /nfs/dbraw/zinc/08/54/94/176085494.db2.gz BIRPUPIGONLHCV-MNOVXSKESA-N 0 0 244.342 2.774 10 30 BFEERN C[C@@H]1CCC[C@@](C#N)(NCC(F)(F)F)C1 ZINC000037970911 176133236 /nfs/dbraw/zinc/13/32/36/176133236.db2.gz YXCRAOPCEUVEGU-RKDXNWHRSA-N 0 0 220.238 2.611 10 30 BFEERN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C#N)C1 ZINC000067176073 176160102 /nfs/dbraw/zinc/16/01/02/176160102.db2.gz NDHOTKDFCPMGGW-NXEZZACHSA-N 0 0 224.304 2.546 10 30 BFEERN C[C@@H]1CC[C@H](C#N)[C@H](Sc2ccncn2)C1 ZINC000104363808 176218536 /nfs/dbraw/zinc/21/85/36/176218536.db2.gz SWADCYIYWMJOLY-GMTAPVOTSA-N 0 0 233.340 2.897 10 30 BFEERN C[C@@H]1CN=C(Nc2cccc3ncccc32)S1 ZINC000035294597 176322420 /nfs/dbraw/zinc/32/24/20/176322420.db2.gz FKZVXSRXWGKRHT-SECBINFHSA-N 0 0 243.335 2.947 10 30 BFEERN C[C@@H]1CS[C@@H](c2ccc(C#N)cc2)O1 ZINC000039105450 176357178 /nfs/dbraw/zinc/35/71/78/176357178.db2.gz VSFZZQZBZSRIHI-KCJUWKMLSA-N 0 0 205.282 2.709 10 30 BFEERN C[C@@](N)(C#N)CSc1ccccc1Cl ZINC000045218136 176509582 /nfs/dbraw/zinc/50/95/82/176509582.db2.gz GWZQPMZOBCDRJZ-SNVBAGLBSA-N 0 0 226.732 2.673 10 30 BFEERN C[C@@H](NC[C@H](C)C#N)c1ccccc1F ZINC000042207193 176553612 /nfs/dbraw/zinc/55/36/12/176553612.db2.gz PBINICORFLFSRG-NXEZZACHSA-N 0 0 206.264 2.636 10 30 BFEERN C[C@@H](NC[C@H](C)C#N)c1ccc(F)c(F)c1 ZINC000047979603 176553978 /nfs/dbraw/zinc/55/39/78/176553978.db2.gz GIUZSQXVFPIQPK-RKDXNWHRSA-N 0 0 224.254 2.775 10 30 BFEERN C[C@H](CC#N)N(C)[C@@H](CC#N)c1ccccc1 ZINC000063086450 176596534 /nfs/dbraw/zinc/59/65/34/176596534.db2.gz XDRFHXXXHXVMST-OCCSQVGLSA-N 0 0 227.311 2.875 10 30 BFEERN C[C@H](CC#N)Nc1ccc(C#N)c(Cl)c1 ZINC000037871378 176597556 /nfs/dbraw/zinc/59/75/56/176597556.db2.gz WFBZIVDMTBUTEA-MRVPVSSYSA-N 0 0 219.675 2.926 10 30 BFEERN C[C@H](OCCCC/C(N)=N/O)c1ccccc1 ZINC000049580383 177020940 /nfs/dbraw/zinc/02/09/40/177020940.db2.gz IKJWVLJNJXHIPD-NSHDSACASA-N 0 0 236.315 2.681 10 30 BFEERN C[C@H]1CC=CC[C@H]1COc1ncccc1C#N ZINC000034958436 177068669 /nfs/dbraw/zinc/06/86/69/177068669.db2.gz XROWHNJKWLBYAS-AAEUAGOBSA-N 0 0 228.295 2.934 10 30 BFEERN C[C@H]1CCCCN1C(=O)[C@@H](C#N)c1ccccc1 ZINC000061613904 177073038 /nfs/dbraw/zinc/07/30/38/177073038.db2.gz WYAFKDNLQMZPGR-JSGCOSHPSA-N 0 0 242.322 2.695 10 30 BFEERN C[C@H]1CCCC[C@@H]1CNc1ncc(N)cc1C#N ZINC000042860138 177080739 /nfs/dbraw/zinc/08/07/39/177080739.db2.gz BIRPUPIGONLHCV-WDEREUQCSA-N 0 0 244.342 2.774 10 30 BFEERN C[C@H]1CCCC[C@H]1N(C)c1cc(C#N)ccn1 ZINC000042610335 177087446 /nfs/dbraw/zinc/08/74/46/177087446.db2.gz RXFWURRKSVDLNG-WCQYABFASA-N 0 0 229.327 2.968 10 30 BFEERN C[C@H]1CCCC[C@H]1Nc1ncc(N)cc1C#N ZINC000037758901 177089293 /nfs/dbraw/zinc/08/92/93/177089293.db2.gz NETWILIWINXQFH-JOYOIKCWSA-N 0 0 230.315 2.526 10 30 BFEERN C[C@H]1CCCC[C@]1(C#N)NC1CCCC1 ZINC000037968398 177090363 /nfs/dbraw/zinc/09/03/63/177090363.db2.gz MKTCLQGECGJOKX-WCQYABFASA-N 0 0 206.333 2.991 10 30 BFEERN C[C@H]1CCCN(c2ccc(N)cc2C#N)CC1 ZINC000104365909 177105032 /nfs/dbraw/zinc/10/50/32/177105032.db2.gz MIDDVJUVDXIUCJ-NSHDSACASA-N 0 0 229.327 2.767 10 30 BFEERN C[C@H]1CCC[C@H](Oc2cc(C#N)ccn2)C1 ZINC000020514259 177138659 /nfs/dbraw/zinc/13/86/59/177138659.db2.gz JKDFQZAPJWGKLP-JQWIXIFHSA-N 0 0 216.284 2.911 10 30 BFEERN C[C@H]1CCC[C@](C#N)(NCC(F)(F)F)C1 ZINC000037970914 177143407 /nfs/dbraw/zinc/14/34/07/177143407.db2.gz YXCRAOPCEUVEGU-IUCAKERBSA-N 0 0 220.238 2.611 10 30 BFEERN C[C@H]1C[C@H](Oc2nccnc2C#N)CC(C)(C)C1 ZINC000054379979 177374757 /nfs/dbraw/zinc/37/47/57/177374757.db2.gz HVZAZQFWSOVFRA-QWRGUYRKSA-N 0 0 245.326 2.942 10 30 BFEERN C[C@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1C#N ZINC000070268740 177377192 /nfs/dbraw/zinc/37/71/92/177377192.db2.gz UGMCPWLQZWUGME-OIBJUYFYSA-N 0 0 234.686 2.806 10 30 BFEERN C[C@H]1Cc2sc(N)c(C#N)c2[C@H](C)C1 ZINC000082857237 177391052 /nfs/dbraw/zinc/39/10/52/177391052.db2.gz CLDWILBRYDRQFF-RNFRBKRXSA-N 0 0 206.314 2.888 10 30 BFEERN Cc1c(C)n([C@@H]2CC2(C)C)c(N)c1C#N ZINC000045136376 177556172 /nfs/dbraw/zinc/55/61/72/177556172.db2.gz BEVJJYVAOOZRCE-SNVBAGLBSA-N 0 0 203.289 2.530 10 30 BFEERN Cc1c(Cl)cnc(N2C[C@@H]3CCC[C@H]32)c1C#N ZINC000336500254 177603501 /nfs/dbraw/zinc/60/35/01/177603501.db2.gz NFMOAYSCNAZLAN-JOYOIKCWSA-N 0 0 247.729 2.904 10 30 BFEERN C=CCN(C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161626252 323174375 /nfs/dbraw/zinc/17/43/75/323174375.db2.gz YYJDDDOVNDUULP-CHWSQXEVSA-N 0 0 221.344 2.847 10 30 BFEERN N#C[C@]1(c2ccccc2Cl)CCCOC1 ZINC000536949807 323952094 /nfs/dbraw/zinc/95/20/94/323952094.db2.gz FPWFEIIXLHPUSG-GFCCVEGCSA-N 0 0 221.687 2.912 10 30 BFEERN CC(C)[C@H](Cc1ccccc1)C(=O)N[C@H](C)C#N ZINC000119952616 487994963 /nfs/dbraw/zinc/99/49/63/487994963.db2.gz WRLXCQBWSSEURD-OCCSQVGLSA-N 0 0 244.338 2.530 10 30 BFEERN C=C[C@@H](C)N1C(=S)N=NC1c1ccccc1 ZINC000757132945 582508169 /nfs/dbraw/zinc/50/81/69/582508169.db2.gz RIQMZLHXFITNTO-SECBINFHSA-N 0 0 231.324 2.981 10 30 BFEERN CCCCC[C@H](O)/C=C/C=C/C#CCCCO ZINC000013835261 517557614 /nfs/dbraw/zinc/55/76/14/517557614.db2.gz RBGVFSUDBDJGLP-WSCGKMLTSA-N 0 0 236.355 2.816 10 30 BFEERN C1#Cc2ccccc2C#Cc2ccccc21 ZINC000104784222 518574396 /nfs/dbraw/zinc/57/43/96/518574396.db2.gz JFYLRMKUYCIWMX-UHFFFAOYSA-N 0 0 200.240 2.800 10 30 BFEERN C=C1CCN(C(=O)[C@H]2CCC[C@@H]2C)CC1 ZINC000335994143 534455330 /nfs/dbraw/zinc/45/53/30/534455330.db2.gz TUDDCMQLZLTDBF-RYUDHWBXSA-N 0 0 207.317 2.601 10 30 BFEERN CC(C)(C)C1=CCN(C(C)(C)C#N)CC1 ZINC000336626501 534542351 /nfs/dbraw/zinc/54/23/51/534542351.db2.gz YKBDBANFPMGHGK-UHFFFAOYSA-N 0 0 206.333 2.967 10 30 BFEERN CCCn1cc(C#N)c(=O)c2cc(F)c(F)cc21 ZINC000085346134 521642261 /nfs/dbraw/zinc/64/22/61/521642261.db2.gz IKLIZMYTWODCQE-UHFFFAOYSA-N 0 0 248.232 2.561 10 30 BFEERN C=CCCCC(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000175370904 534650916 /nfs/dbraw/zinc/65/09/16/534650916.db2.gz VVCMZBWBGFGSGY-QWHCGFSZSA-N 0 0 237.343 2.513 10 30 BFEERN CC[C@]1([C@@H](NC(=O)OC(C)(C)C)C(C)C)CO1 ZINC000072207923 523627688 /nfs/dbraw/zinc/62/76/88/523627688.db2.gz HNZVFHDMNUWSHG-GXFFZTMASA-N 0 0 243.347 2.715 10 30 BFEERN C=CCCC[C@H](C)NC(=O)[C@@H]1CCCO[C@H]1C ZINC000190016763 534759234 /nfs/dbraw/zinc/75/92/34/534759234.db2.gz SXMYSMYAMIWUIM-RWMBFGLXSA-N 0 0 239.359 2.663 10 30 BFEERN N#CC(C#N)c1cc(F)c(Cl)c(F)c1 ZINC000238857296 526429352 /nfs/dbraw/zinc/42/93/52/526429352.db2.gz YSGKBNJRGCPGMT-UHFFFAOYSA-N 0 0 212.586 2.749 10 30 BFEERN N#CCCc1ccsc1Br ZINC000147135220 526464626 /nfs/dbraw/zinc/46/46/26/526464626.db2.gz UIOZBVWQOFRQPY-UHFFFAOYSA-N 0 0 216.103 2.967 10 30 BFEERN CC[C@H](C)C[C@@]1(CC)O[C@@]1(C)C(=O)OC ZINC000227199386 566326882 /nfs/dbraw/zinc/32/68/82/566326882.db2.gz DFZNKISIFZZVNX-ZMLRMANQSA-N 0 0 214.305 2.533 10 30 BFEERN CN1CCc2cc(NCCCCC#N)ccc21 ZINC000757123829 582498365 /nfs/dbraw/zinc/49/83/65/582498365.db2.gz ASTOTEYEMJBPMW-UHFFFAOYSA-N 0 0 229.327 2.785 10 30 BFEERN CC[C@@H](C#N)Nc1ccc2c(ccn2C)c1 ZINC000757132911 582508212 /nfs/dbraw/zinc/50/82/12/582508212.db2.gz SBNFDSKZSGYJQT-NSHDSACASA-N 0 0 213.284 2.892 10 30 BFEERN C[C@@H]1[C@@H](S)CCCN1C(=O)OC(C)(C)C ZINC000757159885 582540985 /nfs/dbraw/zinc/54/09/85/582540985.db2.gz IHZHEYUSRLOSHN-BDAKNGLRSA-N 0 0 231.361 2.704 10 30 BFEERN CC(C)[C@H](CS)CNC(=O)OC(C)(C)C ZINC000757163864 582545095 /nfs/dbraw/zinc/54/50/95/582545095.db2.gz SUWBBVRHUJHBLP-VIFPVBQESA-N 0 0 233.377 2.713 10 30 BFEERN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1S ZINC000757164061 582545939 /nfs/dbraw/zinc/54/59/39/582545939.db2.gz XXMQRYRMMCBOTK-UWVGGRQHSA-N 0 0 245.388 3.000 10 30 BFEERN C[C@@]1(CSCc2ccc(Cl)o2)CO1 ZINC000757168977 582550029 /nfs/dbraw/zinc/55/00/29/582550029.db2.gz FBDFJKYAJNPZEZ-VIFPVBQESA-N 0 0 218.705 2.955 10 30 BFEERN C=C1CCC[C@]2(C)C[C@@]3(O)OC(=O)C(C)=C3C[C@H]12 ZINC000014452261 582604216 /nfs/dbraw/zinc/60/42/16/582604216.db2.gz FBMORZZOJSDNRQ-KCPJHIHWSA-N 0 0 248.322 2.705 10 30 BFEERN CC1(C)CCCN(C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000335329819 583613033 /nfs/dbraw/zinc/61/30/33/583613033.db2.gz MCRYOPXCTDJITL-RYUDHWBXSA-N 0 0 249.358 2.510 10 30 BFEERN CC[C@H](C)OC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000103667017 586288021 /nfs/dbraw/zinc/28/80/21/586288021.db2.gz DMUGUHMLMYCLTB-WDEREUQCSA-N 0 0 247.294 2.667 10 30 BFEERN C[C@H](S)CCCCNC(=O)OC(C)(C)C ZINC000757159775 586430558 /nfs/dbraw/zinc/43/05/58/586430558.db2.gz HNYSHEBJFXVSNB-VIFPVBQESA-N 0 0 233.377 3.000 10 30 BFEERN Cc1cc(CN(C)[C@@H](C)C=O)ccc1Cl ZINC000757159117 586430603 /nfs/dbraw/zinc/43/06/03/586430603.db2.gz ONOULPAOUOUQPM-JTQLQIEISA-N 0 0 225.719 2.668 10 30 BFEERN COc1cc(CS)c(SC)cc1OC ZINC000757159768 586430706 /nfs/dbraw/zinc/43/07/06/586430706.db2.gz HKYUPTIWUWTQRS-UHFFFAOYSA-N 0 0 230.354 2.856 10 30 BFEERN Oc1cccc(Br)c1CS ZINC000757162438 586432233 /nfs/dbraw/zinc/43/22/33/586432233.db2.gz HHNBWGISNCHRQE-UHFFFAOYSA-N 0 0 219.103 2.585 10 30 BFEERN CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)S ZINC000757166654 586432718 /nfs/dbraw/zinc/43/27/18/586432718.db2.gz WMNFYQLHJKTLAC-SFYZADRCSA-N 0 0 219.350 2.608 10 30 BFEERN O=CCCSCc1ccc(Cl)o1 ZINC000757162061 586432738 /nfs/dbraw/zinc/43/27/38/586432738.db2.gz BERCMRCGUNRIJW-UHFFFAOYSA-N 0 0 204.678 2.755 10 30 BFEERN C[C@H](C=O)SCc1ccc(Cl)o1 ZINC000757170929 586433109 /nfs/dbraw/zinc/43/31/09/586433109.db2.gz RXKRVKHJWQDGSC-ZCFIWIBFSA-N 0 0 204.678 2.754 10 30 BFEERN C#CC[C@@H](OC(=O)c1ccco1)c1ccccn1 ZINC000105549330 588199947 /nfs/dbraw/zinc/19/99/47/588199947.db2.gz OIFMHRLWFBCWON-GFCCVEGCSA-N 0 0 241.246 2.596 10 30 BFEERN C/C(=C\c1cccc(Cl)c1)C(=O)N[C@H](C)C#N ZINC000119197637 589247985 /nfs/dbraw/zinc/24/79/85/589247985.db2.gz YVFIIVDYCMWTPE-OLKPEBQYSA-N 0 0 248.713 2.772 10 30 BFEERN CCCCC[C@H](C(=O)N[C@H](C)C#N)C(C)C ZINC000128518295 591101617 /nfs/dbraw/zinc/10/16/17/591101617.db2.gz SSJXHDRVOSKQFQ-NEPJUHHUSA-N 0 0 224.348 2.867 10 30 BFEERN CC[C@@H](Nc1cc(C#N)nc(C)n1)C(C)C ZINC000308428273 631332446 /nfs/dbraw/zinc/33/24/46/631332446.db2.gz SCUFBXUBBLJSGM-LLVKDONJSA-N 0 0 218.304 2.503 10 30 BFEERN Cc1csc(C(C#N)C(=O)[C@@H]2C[C@@H]2C2CC2)n1 ZINC000176079776 631554454 /nfs/dbraw/zinc/55/44/54/631554454.db2.gz PFQPERUKKGMGPR-GMTAPVOTSA-N 0 0 246.335 2.674 10 30 BFEERN CCOc1ccc(O)c(/C=N\[C@@H]2C[C@@H]2C)c1 ZINC000255494651 631787692 /nfs/dbraw/zinc/78/76/92/631787692.db2.gz CMBFIKKZALXSOR-DZPWBNMFSA-N 0 0 219.284 2.618 10 30 BFEERN CC(C)(C)OC(=O)N[C@H]1CCCC[C@@H]1C#N ZINC000165876791 640596979 /nfs/dbraw/zinc/59/69/79/640596979.db2.gz BBMSADVUENDKHR-ZJUUUORDSA-N 0 0 224.304 2.593 10 30 BFEERN COc1ccc(-c2cc(CS)no2)cc1 ZINC000057951908 640650250 /nfs/dbraw/zinc/65/02/50/640650250.db2.gz VENNUPYHCIFBDD-UHFFFAOYSA-N 0 0 221.281 2.780 10 30 BFEERN COc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1C ZINC000061892395 641004619 /nfs/dbraw/zinc/00/46/19/641004619.db2.gz UKCBSBPKLPIIHP-KGLIPLIRSA-N 0 0 244.338 2.786 10 30 BFEERN CC(C)CN(CCC#N)C(=O)[C@H]1CCC[C@@H]1C ZINC000230170737 641032469 /nfs/dbraw/zinc/03/24/69/641032469.db2.gz SIBKNDJSHZDDCG-STQMWFEESA-N 0 0 236.359 2.821 10 30 BFEERN C#C[C@H](C)OC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000174447441 641288458 /nfs/dbraw/zinc/28/84/58/641288458.db2.gz HFHSAUAQRHVDMI-CYZMBNFOSA-N 0 0 220.312 2.768 10 30 BFEERN Cc1c(Cl)cc(Cl)c2ncc(C#N)n21 ZINC000675074271 641325639 /nfs/dbraw/zinc/32/56/39/641325639.db2.gz ZEGRETJFDSFHPE-UHFFFAOYSA-N 0 0 226.066 2.821 10 30 BFEERN C#CCCCCNC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000159270054 641674610 /nfs/dbraw/zinc/67/46/10/641674610.db2.gz YNJPEABCYBMJIB-LBPRGKRZSA-N 0 0 248.326 2.752 10 30 BFEERN O=C(/C=C/c1ccc(O)cn1)c1cccc(F)c1 ZINC000070036391 642954638 /nfs/dbraw/zinc/95/46/38/642954638.db2.gz AXJPFFZQYVIYAF-FNORWQNLSA-N 0 0 243.237 2.822 10 30 BFEERN C=C[C@H](C)OC(=O)Cc1ccc2c(c1)CCC2 ZINC000187588124 643197761 /nfs/dbraw/zinc/19/77/61/643197761.db2.gz ROEBRUGCWRDADA-NSHDSACASA-N 0 0 230.307 2.836 10 30 BFEERN CCOc1cc2c(cc1CS)O[C@@H](C)C2 ZINC000086895342 644266338 /nfs/dbraw/zinc/26/63/38/644266338.db2.gz YTYGBYXPXYIGOR-QMMMGPOBSA-N 0 0 224.325 2.839 10 30 BFEERN Oc1ccccc1/C=N/[C@@H]1COc2ccccc21 ZINC000194595274 644332567 /nfs/dbraw/zinc/33/25/67/644332567.db2.gz UPFVRBUVJMNIDB-BPKVKKHESA-N 0 0 239.274 2.945 10 30 BFEERN C[C@H]1C[C@@H]1Nc1nc2ccccc2cc1C#N ZINC000083686405 644406163 /nfs/dbraw/zinc/40/61/63/644406163.db2.gz PCBGFZIBWQLRGA-ZANVPECISA-N 0 0 223.279 2.927 10 30 BFEERN CN(OCc1ccccc1)c1ncccc1C#N ZINC000092826223 644669259 /nfs/dbraw/zinc/66/92/59/644669259.db2.gz WIBVTNRYQKGCNU-UHFFFAOYSA-N 0 0 239.278 2.521 10 30 BFEERN COC(=O)[C@]1(C)O[C@@]12CCCC[C@H]2C(C)C ZINC000251343803 644803094 /nfs/dbraw/zinc/80/30/94/644803094.db2.gz QTNZYZMWBBRZFG-WCFLWFBJSA-N 0 0 226.316 2.533 10 30 BFEERN CCC/C=C\c1ccnc(OC)c1C#N ZINC000096794857 644836629 /nfs/dbraw/zinc/83/66/29/644836629.db2.gz UQNFLHRTSVXISQ-WAYWQWQTSA-N 0 0 202.257 2.775 10 30 BFEERN CC(C)(C)c1coc(CN[C@@H]2CCC[C@@H]2C#N)n1 ZINC000724420827 710740604 /nfs/dbraw/zinc/74/06/04/710740604.db2.gz WETHBATYWIPOBT-GHMZBOCLSA-N 0 0 247.342 2.754 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)/C=C/c1ccccc1 ZINC000700844421 712008332 /nfs/dbraw/zinc/00/83/32/712008332.db2.gz QJHGJMGZZBLTOO-XACNLCELSA-N 0 0 240.306 2.508 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)/C=C/c1cccs1 ZINC000701157214 712017165 /nfs/dbraw/zinc/01/71/65/712017165.db2.gz JODCOURJWVHITE-RIVSHMCHSA-N 0 0 246.335 2.570 10 30 BFEERN C=C(Br)COC(=O)[C@H]1CCC[C@H]1C ZINC000379379735 712379736 /nfs/dbraw/zinc/37/97/36/712379736.db2.gz BGRQUDRWTDDNJR-APPZFPTMSA-N 0 0 247.132 2.874 10 30 BFEERN Cc1cc(C#N)ccc1N[C@@H](C)[C@H]1CCCO1 ZINC000037732638 712750275 /nfs/dbraw/zinc/75/02/75/712750275.db2.gz FIWQZMZUZRNFBP-SMDDNHRTSA-N 0 0 230.311 2.846 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC=CCCC1 ZINC000719063849 712794804 /nfs/dbraw/zinc/79/48/04/712794804.db2.gz XXQRQXQRPCGGJP-RDBSUJKOSA-N 0 0 246.354 2.931 10 30 BFEERN CC(C)(C)[C@@H](C#N)OC(=O)/C=C\c1ccco1 ZINC000588470003 958700176 /nfs/dbraw/zinc/70/01/76/958700176.db2.gz BPYXAFQQZGNNAX-JMEBYUIHSA-N 0 0 233.267 2.774 10 30 BFEERN C/C(=C/C(C)(C)C)C(=O)O[C@@H](C#N)C1CC1 ZINC000588508636 958873150 /nfs/dbraw/zinc/87/31/50/958873150.db2.gz ASBIYBBAMSIHRU-DVBBHNHCSA-N 0 0 221.300 2.824 10 30 BFEERN CC[C@@H](CC#N)OC(=O)/C=C\c1cncc(C)c1 ZINC000588558286 959168693 /nfs/dbraw/zinc/16/86/93/959168693.db2.gz UUPYNQXFYNYJGG-ZFDPJTLLSA-N 0 0 244.294 2.639 10 30 BFEERN CC[C@H](CC#N)OC(=O)/C=C\c1cncc(C)c1 ZINC000588558285 959169813 /nfs/dbraw/zinc/16/98/13/959169813.db2.gz UUPYNQXFYNYJGG-DSYXLKISSA-N 0 0 244.294 2.639 10 30 BFEERN CC[C@@H](CC#N)OC(=O)/C=C\c1ccco1 ZINC000588558069 959171686 /nfs/dbraw/zinc/17/16/86/959171686.db2.gz IGLLMPMSXYWQCF-OMMCCPJFSA-N 0 0 219.240 2.528 10 30 BFEERN O=C1c2cccc(O)c2CC/C1=C/c1cocn1 ZINC000588578500 959333867 /nfs/dbraw/zinc/33/38/67/959333867.db2.gz BZAALSMXTXYZGS-TWGQIWQCSA-N 0 0 241.246 2.593 10 30 BFEERN Cc1ccc(O)c(C(=O)/C=C\c2cocn2)c1 ZINC000588578628 959334907 /nfs/dbraw/zinc/33/49/07/959334907.db2.gz GKPAUUAPWFJXEE-HYXAFXHYSA-N 0 0 229.235 2.585 10 30 BFEERN O=C(/C=C\c1cocn1)c1ccc(F)cc1F ZINC000588581106 960107123 /nfs/dbraw/zinc/10/71/23/960107123.db2.gz HLADUJJXHCOQTF-RQOWECAXSA-N 0 0 235.189 2.849 10 30 BFEERN C[C@H](C#CC(=O)OC(C)(C)C)C1CCC1 ZINC000685953413 538897797 /nfs/dbraw/zinc/89/77/97/538897797.db2.gz MHGZQJAHEWGROX-SNVBAGLBSA-N 0 0 208.301 2.768 10 30 BFEERN CC(C)(C)OC(=O)C#C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000685953866 538898759 /nfs/dbraw/zinc/89/87/59/538898759.db2.gz QEWJNOURXYQLNW-TUAOUCFPSA-N 0 0 220.312 2.768 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)N[C@@H](C)Cc1ccccc1 ZINC000062189322 167340938 /nfs/dbraw/zinc/34/09/38/167340938.db2.gz XJYUQQGZCHQLCW-GXTWGEPZSA-N 0 0 244.338 2.530 10 30 BFEERN C[C@@H]1CC[C@H](C#CC(=O)OC(C)(C)C)C1 ZINC000685952766 538896611 /nfs/dbraw/zinc/89/66/11/538896611.db2.gz CZLHDBVSGDRPMC-GHMZBOCLSA-N 0 0 208.301 2.768 10 30 BFEERN CC(C)Cc1ccc([C@@H](C)C(=O)NCC#N)cc1 ZINC000129821920 136213796 /nfs/dbraw/zinc/21/37/96/136213796.db2.gz XKCXLBMVZAPESA-GFCCVEGCSA-N 0 0 244.338 2.628 10 30 BFEERN Cc1cc(CNc2cccc(C#N)n2)c(C)o1 ZINC000301268287 178042887 /nfs/dbraw/zinc/04/28/87/178042887.db2.gz ISKQUELAIMWRER-UHFFFAOYSA-N 0 0 227.267 2.775 10 30 BFEERN Cc1cc(CO)cc(C)c1OCCCCC#N ZINC000049578716 178045636 /nfs/dbraw/zinc/04/56/36/178045636.db2.gz OIOBFQNTFCBTQB-UHFFFAOYSA-N 0 0 233.311 2.868 10 30 BFEERN O=C(CCS)Nc1ccsc1Cl ZINC000307604342 398179095 /nfs/dbraw/zinc/17/90/95/398179095.db2.gz VWDUVUACDYTOPC-UHFFFAOYSA-N 0 0 221.734 2.660 10 30 BFEERN Cc1cc(F)ccc1Nc1ncc(N)cc1C#N ZINC000037759004 178091343 /nfs/dbraw/zinc/09/13/43/178091343.db2.gz MELXHGJHAZKLLT-UHFFFAOYSA-N 0 0 242.257 2.727 10 30 BFEERN Cc1cc(N(CCC#N)C2CC2)nc(C(C)C)n1 ZINC000042549449 178101890 /nfs/dbraw/zinc/10/18/90/178101890.db2.gz DUZUBGSDWCMDIA-UHFFFAOYSA-N 0 0 244.342 2.791 10 30 BFEERN Cc1ccc([C@H](C)NC[C@@H](C#N)CCC#N)o1 ZINC000182565935 136219200 /nfs/dbraw/zinc/21/92/00/136219200.db2.gz GVARCWUXFLFNFS-NWDGAFQWSA-N 0 0 231.299 2.682 10 30 BFEERN Cc1cc(N2C[C@@H]3[C@H](C2)C3(C)C)c(C#N)c(C)n1 ZINC000301801204 178122168 /nfs/dbraw/zinc/12/21/68/178122168.db2.gz VZOZUVFMQFATBL-BETUJISGSA-N 0 0 241.338 2.662 10 30 BFEERN N#C[C@H](NC(=O)[C@H]1C[C@@H]1C1CCCCC1)C1CC1 ZINC000119731266 136220753 /nfs/dbraw/zinc/22/07/53/136220753.db2.gz VDVLFUUPKSJKSD-RDBSUJKOSA-N 0 0 246.354 2.621 10 30 BFEERN Cc1cc(NC[C@@]2(C)CCCO2)c(C#N)c(C)n1 ZINC000127356091 178167747 /nfs/dbraw/zinc/16/77/47/178167747.db2.gz DBCUJGCLIVINND-CQSZACIVSA-N 0 0 245.326 2.551 10 30 BFEERN CCC(CC)CN(CC)c1c(C#N)c(C)nn1C ZINC000104310992 168350702 /nfs/dbraw/zinc/35/07/02/168350702.db2.gz JKNYSOUPEOXGIN-UHFFFAOYSA-N 0 0 248.374 2.863 10 30 BFEERN Cc1cc([C@@H](C#N)NC(C)C)ccc1F ZINC000050558759 178219578 /nfs/dbraw/zinc/21/95/78/178219578.db2.gz INZVLNKJZXIIBB-GFCCVEGCSA-N 0 0 206.264 2.697 10 30 BFEERN Cc1cc([C@@H](C#N)NCC2CC2)c(C)s1 ZINC000049687616 178219846 /nfs/dbraw/zinc/21/98/46/178219846.db2.gz NHFMRKZXSXKGPM-GFCCVEGCSA-N 0 0 220.341 2.929 10 30 BFEERN COC(=O)C#CCc1ccc(Cl)c(Cl)c1 ZINC000070835302 361778941 /nfs/dbraw/zinc/77/89/41/361778941.db2.gz JVPDLTJANAVUMU-UHFFFAOYSA-N 0 0 243.089 2.712 10 30 BFEERN COC(=O)[C@@]1(C(C)C)O[C@]1(C)CC1CCC1 ZINC000229762758 538941407 /nfs/dbraw/zinc/94/14/07/538941407.db2.gz JQCQVUZUAQGTNM-CHWSQXEVSA-N 0 0 226.316 2.533 10 30 BFEERN CC[C@@H]1CCC[C@@]12O[C@]2(C(=O)OC)C(C)C ZINC000229673781 538940179 /nfs/dbraw/zinc/94/01/79/538940179.db2.gz WPYJMCBKKMSWMQ-RTXFEEFZSA-N 0 0 226.316 2.533 10 30 BFEERN Cc1cc2ncn(-c3ccc(C#N)cn3)c2cc1C ZINC000019423518 178305143 /nfs/dbraw/zinc/30/51/43/178305143.db2.gz MKCYBDOQISYAJF-UHFFFAOYSA-N 0 0 248.289 2.909 10 30 BFEERN Cc1ccc(C(N)=NC(=O)OC(C)(C)C)cc1 ZINC000082547540 178352086 /nfs/dbraw/zinc/35/20/86/178352086.db2.gz UNBRQVXCVHQWAG-UHFFFAOYSA-N 0 0 234.299 2.635 10 30 BFEERN Cc1ccc(C#N)cc1N[C@H]1CCSC1 ZINC000050429077 178367532 /nfs/dbraw/zinc/36/75/32/178367532.db2.gz RIMZLQYNFVYTHZ-NSHDSACASA-N 0 0 218.325 2.784 10 30 BFEERN C=CCOc1cc(O)c(O)c2ccccc12 ZINC000215935163 342701455 /nfs/dbraw/zinc/70/14/55/342701455.db2.gz CWIMZCHUHGEWHQ-UHFFFAOYSA-N 0 0 216.236 2.816 10 30 BFEERN CC#C[C@@H](O)c1csc2ccccc12 ZINC000306647631 361842878 /nfs/dbraw/zinc/84/28/78/361842878.db2.gz DPJDIERYIKKERI-LLVKDONJSA-N 0 0 202.278 2.958 10 30 BFEERN C=CC(=O)CC1(NC(=O)OC(C)(C)C)CCC1 ZINC000405952630 538962006 /nfs/dbraw/zinc/96/20/06/538962006.db2.gz RYMAYLCPEJGTOM-UHFFFAOYSA-N 0 0 239.315 2.579 10 30 BFEERN O=[N+]([O-])c1ccccc1N=NCc1ccco1 ZINC000005514935 342765051 /nfs/dbraw/zinc/76/50/51/342765051.db2.gz ZMMJYEWJEHLAMT-WQLSENKSSA-N 0 0 231.211 2.634 10 30 BFEERN Cc1ccc2ncc(C#N)c(OC(C)C)c2n1 ZINC000148396626 342791102 /nfs/dbraw/zinc/79/11/02/342791102.db2.gz ACNJBWHJHVOMOZ-UHFFFAOYSA-N 0 0 227.267 2.597 10 30 BFEERN CC[N@@H+]1CCC[C@@H](Nc2ccc(C#N)cc2F)C1 ZINC000042359008 361982873 /nfs/dbraw/zinc/98/28/73/361982873.db2.gz GRORVORZEKGKGX-GFCCVEGCSA-N 0 0 247.317 2.594 10 30 BFEERN N#Cc1ccc(-c2n[nH]cc2Cl)cc1 ZINC000042415092 361999166 /nfs/dbraw/zinc/99/91/66/361999166.db2.gz GZQVWJAZBSEMAL-UHFFFAOYSA-N 0 0 203.632 2.602 10 30 BFEERN CCC[C@@H]1C[C@H]1Nc1cc(C#N)cc(C)n1 ZINC000233310252 342853970 /nfs/dbraw/zinc/85/39/70/342853970.db2.gz YRAKTIJNRPOXMI-VXGBXAGGSA-N 0 0 215.300 2.862 10 30 BFEERN CC[C@H]([NH3+])C#Cc1cc(F)ccc1Cl ZINC000229908853 342854508 /nfs/dbraw/zinc/85/45/08/342854508.db2.gz WFAGTTBNEUUOQF-JTQLQIEISA-N 0 0 211.667 2.568 10 30 BFEERN C=CCSCC(=O)c1ccc(F)cc1 ZINC000308566733 342855037 /nfs/dbraw/zinc/85/50/37/342855037.db2.gz YTBBNWFCIWGKOE-UHFFFAOYSA-N 0 0 210.273 2.928 10 30 BFEERN CC[C@H](C)C(=O)c1cccc(F)c1C#N ZINC000308816634 342873415 /nfs/dbraw/zinc/87/34/15/342873415.db2.gz VQGKJRIOSREMOJ-QMMMGPOBSA-N 0 0 205.232 2.926 10 30 BFEERN C/C=C/C(=O)c1cc(F)cc(F)c1OC ZINC000308840198 342873954 /nfs/dbraw/zinc/87/39/54/342873954.db2.gz YJLFNEBMXFNLSY-ONEGZZNKSA-N 0 0 212.195 2.732 10 30 BFEERN OCCCC#Cc1sccc1Cl ZINC000229945251 342857984 /nfs/dbraw/zinc/85/79/84/342857984.db2.gz GOFMVZYGDWJVRE-UHFFFAOYSA-N 0 0 200.690 2.526 10 30 BFEERN COc1cc(CC#N)cc(OC(F)(F)F)c1 ZINC000309154422 342897828 /nfs/dbraw/zinc/89/78/28/342897828.db2.gz BWMDAZKYNVQTNQ-UHFFFAOYSA-N 0 0 231.173 2.660 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1ncccc1C#N ZINC000231662534 398326065 /nfs/dbraw/zinc/32/60/65/398326065.db2.gz YXGJUDOQZYEQES-GXSJLCMTSA-N 0 0 201.273 2.554 10 30 BFEERN N#Cc1cc(C(F)F)ncc1OC(F)(F)F ZINC000309220436 342914257 /nfs/dbraw/zinc/91/42/57/342914257.db2.gz OHIOBBNQXZOBMY-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN CC#CCN[C@H](C)c1ccc(Br)o1 ZINC000167684886 346873257 /nfs/dbraw/zinc/87/32/57/346873257.db2.gz ILSWUELSVPSXRY-MRVPVSSYSA-N 0 0 242.116 2.716 10 30 BFEERN N#C[C@]1(Br)CCc2ccccc2C1 ZINC000127697133 398332255 /nfs/dbraw/zinc/33/22/55/398332255.db2.gz YZTRGRMTXKYODL-NSHDSACASA-N 0 0 236.112 2.833 10 30 BFEERN C#CCC(=O)c1cc(C)ccc1Br ZINC000167698742 346892724 /nfs/dbraw/zinc/89/27/24/346892724.db2.gz MSDMDTSXPWUIRE-UHFFFAOYSA-N 0 0 237.096 2.964 10 30 BFEERN CNc1c(C#N)cnc2c(C)cc(C)cc21 ZINC000050842226 398342371 /nfs/dbraw/zinc/34/23/71/398342371.db2.gz USNKXRIIOXASRD-UHFFFAOYSA-N 0 0 211.268 2.765 10 30 BFEERN COc1ccc(OC)c(C#C[Si](C)(C)C)c1 ZINC000195887927 398343555 /nfs/dbraw/zinc/34/35/55/398343555.db2.gz CKTZFUKDXSAUFS-UHFFFAOYSA-N 0 0 234.371 2.933 10 30 BFEERN COc1ccc2cc(C(=O)CC#N)ccc2c1 ZINC000117332180 342974067 /nfs/dbraw/zinc/97/40/67/342974067.db2.gz JZCRIOBCVQUSFQ-UHFFFAOYSA-N 0 0 225.247 2.945 10 30 BFEERN Cc1ccc(C)c(OCCC/C(N)=N/O)c1C ZINC000037382385 178488015 /nfs/dbraw/zinc/48/80/15/178488015.db2.gz OXMSZHBOUFVQFY-UHFFFAOYSA-N 0 0 236.315 2.517 10 30 BFEERN N#CC[C@H]1CC[C@@H](c2ncc(Cl)s2)O1 ZINC000306662881 362021586 /nfs/dbraw/zinc/02/15/86/362021586.db2.gz QBMJERJZVYWPFI-RQJHMYQMSA-N 0 0 228.704 2.930 10 30 BFEERN CCO/C=C\C(=O)C(C)(C)C(F)(F)F ZINC000115506403 343121021 /nfs/dbraw/zinc/12/10/21/343121021.db2.gz VHSPBUREJYUINQ-WAYWQWQTSA-N 0 0 210.195 2.694 10 30 BFEERN CCC(C)(C)Nc1nc(SC)ncc1C#N ZINC000144027840 343129610 /nfs/dbraw/zinc/12/96/10/343129610.db2.gz QADRDRJZMLLRFM-UHFFFAOYSA-N 0 0 236.344 2.671 10 30 BFEERN COc1ccc(C#N)c(C(=O)c2ccccc2)c1 ZINC000165193359 343138271 /nfs/dbraw/zinc/13/82/71/343138271.db2.gz IGZHNKGACNMOAD-UHFFFAOYSA-N 0 0 237.258 2.798 10 30 BFEERN CC[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1C#N ZINC000259852254 343139249 /nfs/dbraw/zinc/13/92/49/343139249.db2.gz BIGZWKWQKYFLQI-QWRGUYRKSA-N 0 0 238.331 2.793 10 30 BFEERN C[C@@H]1CC[C@@H](NC(=O)CC#N)c2ccccc21 ZINC000185557761 136275396 /nfs/dbraw/zinc/27/53/96/136275396.db2.gz ZTXZKKCVEWLWBQ-ZWNOBZJWSA-N 0 0 228.295 2.655 10 30 BFEERN COc1ccc(OC(F)(F)F)c(CC#N)c1 ZINC000309313746 343220987 /nfs/dbraw/zinc/22/09/87/343220987.db2.gz IVDOIXGJBXPMDH-UHFFFAOYSA-N 0 0 231.173 2.660 10 30 BFEERN C[C@H]1CCCC[C@@]1(O)C#C[Si](C)(C)C ZINC000200890277 343318996 /nfs/dbraw/zinc/31/89/96/343318996.db2.gz ZACBSHBQFXVIHL-NWDGAFQWSA-N 0 0 210.393 2.808 10 30 BFEERN C[C@@H]1CCCC[C@]1(O)C#C[Si](C)(C)C ZINC000207477210 343303372 /nfs/dbraw/zinc/30/33/72/343303372.db2.gz ZACBSHBQFXVIHL-NEPJUHHUSA-N 0 0 210.393 2.808 10 30 BFEERN N#C[C@@H](O[C@@H]1CCCCO1)c1ccccc1 ZINC000038293531 343373908 /nfs/dbraw/zinc/37/39/08/343373908.db2.gz MVSFLKZTEIXNEN-CHWSQXEVSA-N 0 0 217.268 2.794 10 30 BFEERN CCc1cc(CC)c(C#N)c([N+](=O)[O-])c1 ZINC000148030640 343387400 /nfs/dbraw/zinc/38/74/00/343387400.db2.gz XOEJOYKVUSCJKG-UHFFFAOYSA-N 0 0 204.229 2.591 10 30 BFEERN COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]32)ccc1C#N ZINC000335737086 136350868 /nfs/dbraw/zinc/35/08/68/136350868.db2.gz RCXCMPQXBRRODU-KBPBESRZSA-N 0 0 242.322 2.551 10 30 BFEERN C=C(Cl)CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105923650 136363900 /nfs/dbraw/zinc/36/39/00/136363900.db2.gz PFZCRBPOFHOODF-GFCCVEGCSA-N 0 0 239.750 2.581 10 30 BFEERN C[C@H](NC(=O)c1conc1C1CC1)c1ccon1 ZINC000329547038 136365714 /nfs/dbraw/zinc/36/57/14/136365714.db2.gz DPNPMVKRHZWDNF-ZETCQYMHSA-N 0 0 247.254 2.606 10 30 BFEERN CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(C#N)C2 ZINC000044137849 343493008 /nfs/dbraw/zinc/49/30/08/343493008.db2.gz UVURMTGIVKSLEM-FGWVZKOKSA-N 0 0 236.315 2.688 10 30 BFEERN COc1c[nH]c(/C=C2/Nc3ccccc3C2=O)c1 ZINC000045817529 343534856 /nfs/dbraw/zinc/53/48/56/343534856.db2.gz ILRKXBQDAJZVBS-NTUHNPAUSA-N 0 0 240.262 2.673 10 30 BFEERN CC(=O)c1ccc(O[C@H](C)C#N)c(Cl)c1 ZINC000127149520 343620960 /nfs/dbraw/zinc/62/09/60/343620960.db2.gz KDWABDXFFJOLIV-SSDOTTSWSA-N 0 0 223.659 2.833 10 30 BFEERN C=CCC(C)(C)CNC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000380059602 343675357 /nfs/dbraw/zinc/67/53/57/343675357.db2.gz XUAGPTLUVASGJG-ZSBIGDGJSA-N 0 0 221.344 2.751 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@]12CCC(C)(C)C[C@H]2C ZINC000300031067 537802331 /nfs/dbraw/zinc/80/23/31/537802331.db2.gz SCEQWJXXTWNNFV-ZHAHWJHGSA-N 0 0 246.734 2.710 10 30 BFEERN N#CCc1sccc1Br ZINC000043675482 343698989 /nfs/dbraw/zinc/69/89/89/343698989.db2.gz IFFLTPZWIVJXTO-UHFFFAOYSA-N 0 0 202.076 2.577 10 30 BFEERN C/C=C1/C[C@H](c2ccncc2)CCC1=O ZINC000214943591 349838405 /nfs/dbraw/zinc/83/84/05/349838405.db2.gz VGKJXKFOOYIGOL-WJVNWJGRSA-N 0 0 201.269 2.865 10 30 BFEERN CC(C)=CC(=O)c1cccc(OC(C)=O)c1 ZINC000309533156 343709348 /nfs/dbraw/zinc/70/93/48/343709348.db2.gz DNSQUNHIDKIHAC-UHFFFAOYSA-N 0 0 218.252 2.761 10 30 BFEERN CC=CC(=O)c1cc(F)cc(F)c1F ZINC000306148302 343757368 /nfs/dbraw/zinc/75/73/68/343757368.db2.gz ASNUPOVOTJMMDU-UHFFFAOYSA-N 0 0 200.159 2.863 10 30 BFEERN O=CCc1cn(CC2CC2)nc1-c1cccs1 ZINC000409441131 343855531 /nfs/dbraw/zinc/85/55/31/343855531.db2.gz WQWJHUFYGXDYBR-UHFFFAOYSA-N 0 0 246.335 2.763 10 30 BFEERN C#CCn1ccn2nc(C3CCCCC3)cc12 ZINC000409438694 343844990 /nfs/dbraw/zinc/84/49/90/343844990.db2.gz NPDPBQOTDMZBRU-UHFFFAOYSA-N 0 0 227.311 2.817 10 30 BFEERN C#CCn1nc(-c2cccs2)cc1C ZINC000409440314 343851945 /nfs/dbraw/zinc/85/19/45/343851945.db2.gz MJILGDKFZYQKMM-UHFFFAOYSA-N 0 0 202.282 2.553 10 30 BFEERN FC(F)(F)c1ccc(C#CC2CC2)nc1 ZINC000585143842 343878769 /nfs/dbraw/zinc/87/87/69/343878769.db2.gz PTBLFFHVCMERRM-UHFFFAOYSA-N 0 0 211.186 2.862 10 30 BFEERN N#Cc1c(F)cccc1N1C[C@H]2CCC[C@@H]21 ZINC000334582235 343893325 /nfs/dbraw/zinc/89/33/25/343893325.db2.gz DOPSLYDJISLMGO-SKDRFNHKSA-N 0 0 216.259 2.686 10 30 BFEERN C=C(C)C(=O)c1cc(F)c(F)cc1OC ZINC000393731728 343922289 /nfs/dbraw/zinc/92/22/89/343922289.db2.gz IIEQTOVPQYVZOO-UHFFFAOYSA-N 0 0 212.195 2.732 10 30 BFEERN C#C[C@H](NC)c1cc(Cl)sc1Cl ZINC000234392513 343963297 /nfs/dbraw/zinc/96/32/97/343963297.db2.gz BMWMXIFQLSKDOL-LURJTMIESA-N 0 0 220.124 2.949 10 30 BFEERN CCSc1nc(Cl)c(C#N)s1 ZINC000306351002 344127050 /nfs/dbraw/zinc/12/70/50/344127050.db2.gz WPAVVCYGZWSUNV-UHFFFAOYSA-N 0 0 204.707 2.780 10 30 BFEERN Cc1cccc(Cl)c1NC(=O)CCS ZINC000235788504 344132645 /nfs/dbraw/zinc/13/26/45/344132645.db2.gz QKDRIVDPLUHWRM-UHFFFAOYSA-N 0 0 229.732 2.907 10 30 BFEERN C[C@H](C=O)Sc1ccc2c(c1)CCC2 ZINC000616571243 344180509 /nfs/dbraw/zinc/18/05/09/344180509.db2.gz GEDNOQJNXREVAM-SECBINFHSA-N 0 0 206.310 2.855 10 30 BFEERN N#Cc1ccc(Cl)nc1-c1ccncc1 ZINC000616577416 344200428 /nfs/dbraw/zinc/20/04/28/344200428.db2.gz WKTMFBYBTJOJGW-UHFFFAOYSA-N 0 0 215.643 2.669 10 30 BFEERN N#Cc1ccsc1C(=O)c1ccccc1 ZINC000247660154 344372292 /nfs/dbraw/zinc/37/22/92/344372292.db2.gz RRUISOJMVOFUQW-UHFFFAOYSA-N 0 0 213.261 2.851 10 30 BFEERN N#Cc1c(C2CCC2)[nH]nc1C(F)(F)F ZINC000409439888 344462893 /nfs/dbraw/zinc/46/28/93/344462893.db2.gz KIGHHBYKJJVRNR-UHFFFAOYSA-N 0 0 215.178 2.568 10 30 BFEERN CC(C)(C)CCNc1cc(C#N)ccc1N ZINC000135513330 344507921 /nfs/dbraw/zinc/50/79/21/344507921.db2.gz SDASWVFSYYURDE-UHFFFAOYSA-N 0 0 217.316 2.989 10 30 BFEERN C[C@H]1C[C@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000069052394 344543083 /nfs/dbraw/zinc/54/30/83/344543083.db2.gz ZWBNSVMLPDITBH-TVQRCGJNSA-N 0 0 223.279 2.927 10 30 BFEERN CC(C)COc1ccc([C@@H](C)NCC#N)cc1 ZINC000181390910 347058283 /nfs/dbraw/zinc/05/82/83/347058283.db2.gz NWLDJHFYMJGNDO-GFCCVEGCSA-N 0 0 232.327 2.896 10 30 BFEERN CC(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000396123356 344608921 /nfs/dbraw/zinc/60/89/21/344608921.db2.gz ZHYYYTCVQRKHIN-UHFFFAOYSA-N 0 0 213.158 2.780 10 30 BFEERN N#CCc1cc(F)cc(OC(F)F)c1F ZINC000396130725 344612177 /nfs/dbraw/zinc/61/21/77/344612177.db2.gz ZHBUCQXCTHLZJA-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN Cc1ccc(F)cc1Nc1ncc(N)cc1C#N ZINC000037759000 178691915 /nfs/dbraw/zinc/69/19/15/178691915.db2.gz JMVPAVPKRGHQND-UHFFFAOYSA-N 0 0 242.257 2.727 10 30 BFEERN Cc1ccoc1CN[C@H]1CCCC[C@H]1C#N ZINC000309453627 347065098 /nfs/dbraw/zinc/06/50/98/347065098.db2.gz PAVZGSZZOWLOTF-RYUDHWBXSA-N 0 0 218.300 2.760 10 30 BFEERN Cc1ccc(N)cc1N(CCC#N)CC(C)C ZINC000053735467 178707938 /nfs/dbraw/zinc/70/79/38/178707938.db2.gz AYOOKUURYBALEB-UHFFFAOYSA-N 0 0 231.343 2.953 10 30 BFEERN C=CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000050522490 344706349 /nfs/dbraw/zinc/70/63/49/344706349.db2.gz IBKPRYWESCKUNQ-UHFFFAOYSA-N 0 0 212.636 2.846 10 30 BFEERN Cc1cc(C(=O)[C@H](C)CC#N)ccc1F ZINC000050544454 344707822 /nfs/dbraw/zinc/70/78/22/344707822.db2.gz PVSDJIKUWXCFDH-MRVPVSSYSA-N 0 0 205.232 2.867 10 30 BFEERN C#C[C@@H](C)Nc1ccc2ncsc2c1 ZINC000235220202 344846473 /nfs/dbraw/zinc/84/64/73/344846473.db2.gz KLAZDIVDBIZWEL-MRVPVSSYSA-N 0 0 202.282 2.730 10 30 BFEERN CCc1c(C)[nH]nc1-c1ccc(C#N)cc1 ZINC000039101538 344847198 /nfs/dbraw/zinc/84/71/98/344847198.db2.gz KJBRCDXQYJYNEP-UHFFFAOYSA-N 0 0 211.268 2.819 10 30 BFEERN C#CC[C@@](C)(O)Cc1ccc(Cl)cc1 ZINC000235419068 344906224 /nfs/dbraw/zinc/90/62/24/344906224.db2.gz MWTGWILDYCOPPI-GFCCVEGCSA-N 0 0 208.688 2.657 10 30 BFEERN C[C@H]1SCC[C@]1(C#N)NCc1ccccc1 ZINC000235630271 344959755 /nfs/dbraw/zinc/95/97/55/344959755.db2.gz HCBYOIZZILXGBX-DGCLKSJQSA-N 0 0 232.352 2.564 10 30 BFEERN C#C[C@H](C)OCc1cnc(Cl)cc1Cl ZINC000235571156 344947293 /nfs/dbraw/zinc/94/72/93/344947293.db2.gz PQLBZQXXYINQKL-ZETCQYMHSA-N 0 0 230.094 2.927 10 30 BFEERN C=CCN(C(=O)[C@@H]1CC[C@H](C)O1)c1ccccc1 ZINC000154014682 345008006 /nfs/dbraw/zinc/00/80/06/345008006.db2.gz SECCVUCUEMBRQB-JSGCOSHPSA-N 0 0 245.322 2.773 10 30 BFEERN C[C@@H](C#N)Oc1ccccc1Br ZINC000011834661 345027877 /nfs/dbraw/zinc/02/78/77/345027877.db2.gz ZQDNTPAFWZRNCK-ZETCQYMHSA-N 0 0 226.073 2.740 10 30 BFEERN N#Cc1cc(OC(F)(F)F)ncc1Cl ZINC000238526128 345069767 /nfs/dbraw/zinc/06/97/67/345069767.db2.gz CSTQAWVCGCPCIX-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#CCc1ccc(OC(F)(F)F)c(Cl)n1 ZINC000238534434 345071730 /nfs/dbraw/zinc/07/17/30/345071730.db2.gz SNKVXOZFINEZIB-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN Cc1cc(C2(C#N)CC2)ncc1Br ZINC000238515349 345067517 /nfs/dbraw/zinc/06/75/17/345067517.db2.gz GUVSHPDYEGAKMJ-UHFFFAOYSA-N 0 0 237.100 2.708 10 30 BFEERN N#Cc1cnc(N[C@@H]2CCC[C@H]2C#N)c(Cl)c1 ZINC000408328659 345178206 /nfs/dbraw/zinc/17/82/06/345178206.db2.gz KDQZMEAQFPDLAH-GXSJLCMTSA-N 0 0 246.701 2.711 10 30 BFEERN C#CC[C@H](N)C(=O)c1ccc(Cl)c(Cl)c1 ZINC000226829578 345243562 /nfs/dbraw/zinc/24/35/62/345243562.db2.gz FNIGCUQBUNKZFE-JTQLQIEISA-N 0 0 242.105 2.527 10 30 BFEERN C[C@@H](C=O)c1ccc(Br)cc1F ZINC000132280721 345324647 /nfs/dbraw/zinc/32/46/47/345324647.db2.gz LLQXECHSKUWMGE-LURJTMIESA-N 0 0 231.064 2.891 10 30 BFEERN C/C=C/C(=O)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000307250730 345311807 /nfs/dbraw/zinc/31/18/07/345311807.db2.gz MQNBXGUCLZPTMZ-BREXMAIKSA-N 0 0 239.315 2.531 10 30 BFEERN C=C(C)CN1CCO[C@H](c2ccc(C)o2)C1 ZINC000158631882 345358087 /nfs/dbraw/zinc/35/80/87/345358087.db2.gz LKBMOGVSPAPGML-ZDUSSCGKSA-N 0 0 221.300 2.537 10 30 BFEERN CC1CC(C(=O)Nc2cccc(C#N)c2)C1 ZINC000084737121 345521338 /nfs/dbraw/zinc/52/13/38/345521338.db2.gz WZSRFVTWEBXCLE-UHFFFAOYSA-N 0 0 214.268 2.543 10 30 BFEERN C=C(C)C(=O)OCCCOCc1ccccc1 ZINC000113555146 345754190 /nfs/dbraw/zinc/75/41/90/345754190.db2.gz DJENTNKTVLSRNS-UHFFFAOYSA-N 0 0 234.295 2.713 10 30 BFEERN CC(=NC#N)N[C@@H](C)c1ccc(C)cc1C ZINC000034279021 345820764 /nfs/dbraw/zinc/82/07/64/345820764.db2.gz BSGIQSZFQUNWOE-NSHDSACASA-N 0 0 215.300 2.854 10 30 BFEERN Oc1ccc(C=Nc2ccccc2O)c(O)c1 ZINC000257354040 345774566 /nfs/dbraw/zinc/77/45/66/345774566.db2.gz VISLUSLXCVLVTQ-UHFFFAOYSA-N 0 0 229.235 2.554 10 30 BFEERN C#C[C@@H](C)Nc1cc(C)c(Br)cn1 ZINC000163946523 345781827 /nfs/dbraw/zinc/78/18/27/345781827.db2.gz NIEYMCWOCIWASC-MRVPVSSYSA-N 0 0 239.116 2.586 10 30 BFEERN CC[C@H](NC(C)=NC#N)c1cccc(C)c1 ZINC000136722339 345798919 /nfs/dbraw/zinc/79/89/19/345798919.db2.gz UURKVCYKGCSBHD-ZDUSSCGKSA-N 0 0 215.300 2.935 10 30 BFEERN CC[C@@H](NC(C)=NC#N)c1ccccc1OC ZINC000136733755 345799314 /nfs/dbraw/zinc/79/93/14/345799314.db2.gz YXDXIDHZQIRJSQ-GFCCVEGCSA-N 0 0 231.299 2.635 10 30 BFEERN C=CCc1c(OC)ccc2c1CCCC2=O ZINC000141890213 345857877 /nfs/dbraw/zinc/85/78/77/345857877.db2.gz YNLSAVHZEVEJFW-UHFFFAOYSA-N 0 0 216.280 2.943 10 30 BFEERN N#C[C@@H](c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000141057158 345859434 /nfs/dbraw/zinc/85/94/34/345859434.db2.gz BNUKPQAARUAVDP-LBPRGKRZSA-N 0 0 239.234 2.645 10 30 BFEERN CC[C@H]1CCCC[C@@]1(O)C#CBr ZINC000142472883 345863160 /nfs/dbraw/zinc/86/31/60/345863160.db2.gz URXLSHPGJHEDKO-VHSXEESVSA-N 0 0 231.133 2.674 10 30 BFEERN O[C@H](C#Cc1ccccc1)c1ccc(F)cc1 ZINC000034546565 345831540 /nfs/dbraw/zinc/83/15/40/345831540.db2.gz YCJGYRMVZUESEW-OAHLLOKOSA-N 0 0 226.250 2.911 10 30 BFEERN C=C(Cl)COCc1ccc(OC)cc1 ZINC000034481824 345835175 /nfs/dbraw/zinc/83/51/75/345835175.db2.gz SEXRTCAVIAPHML-UHFFFAOYSA-N 0 0 212.676 2.964 10 30 BFEERN C=CCOc1ccc2c(c1)C(C)(C)[C@H](OC)O2 ZINC000034490735 345835957 /nfs/dbraw/zinc/83/59/57/345835957.db2.gz ZYYMAWPHHHTTAR-CYBMUJFWSA-N 0 0 234.295 2.894 10 30 BFEERN COC(=O)C[C@@H](C#N)c1ccc(Cl)cc1 ZINC000034632992 345836289 /nfs/dbraw/zinc/83/62/89/345836289.db2.gz LQFDPZVOVHFIQX-VIFPVBQESA-N 0 0 223.659 2.510 10 30 BFEERN C=CCC[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000143315103 345898332 /nfs/dbraw/zinc/89/83/32/345898332.db2.gz OZAJGVFWNPFREQ-LBPRGKRZSA-N 0 0 217.268 2.978 10 30 BFEERN Cc1cccc(C(=O)N(CCC#N)C2CC2)c1 ZINC000042359347 179006235 /nfs/dbraw/zinc/00/62/35/179006235.db2.gz AEKACJDPBLITMI-UHFFFAOYSA-N 0 0 228.295 2.513 10 30 BFEERN Cc1cc(C#N)c(N)nc1-c1ccccc1 ZINC000034300599 346244794 /nfs/dbraw/zinc/24/47/94/346244794.db2.gz PGTMSINTJAEDEN-UHFFFAOYSA-N 0 0 209.252 2.511 10 30 BFEERN CCOP(=O)(OCC)C(F)(F)C[C@H]1CO1 ZINC000034445353 346285002 /nfs/dbraw/zinc/28/50/02/346285002.db2.gz AATPSMYPUBGYMQ-ZETCQYMHSA-N 0 0 244.174 2.634 10 30 BFEERN CCOP(=O)(OCC)C(F)(F)C[C@@H]1CO1 ZINC000034445351 346285057 /nfs/dbraw/zinc/28/50/57/346285057.db2.gz AATPSMYPUBGYMQ-SSDOTTSWSA-N 0 0 244.174 2.634 10 30 BFEERN O=CCCOc1cccc(C(F)(F)F)c1 ZINC000062545180 346278666 /nfs/dbraw/zinc/27/86/66/346278666.db2.gz XMOCPBDPOODYLL-UHFFFAOYSA-N 0 0 218.174 2.673 10 30 BFEERN Cc1nn(C)c(Nc2c(C)cccc2C)c1C#N ZINC000104319195 179045354 /nfs/dbraw/zinc/04/53/54/179045354.db2.gz HMYHGQDEFHCWQU-UHFFFAOYSA-N 0 0 240.310 2.961 10 30 BFEERN Cc1cccc(CN(CCC#N)C2CC2)c1 ZINC000042248066 179071715 /nfs/dbraw/zinc/07/17/15/179071715.db2.gz HUDSBBOHGLPWSS-UHFFFAOYSA-N 0 0 214.312 2.873 10 30 BFEERN COC(=O)CC1([C@H]2CO2)CCC(C)(C)CC1 ZINC000675054718 537975539 /nfs/dbraw/zinc/97/55/39/537975539.db2.gz WRXIJANTTHHVAR-SNVBAGLBSA-N 0 0 226.316 2.535 10 30 BFEERN C[C@H](C#N)[C@@H](O)c1cc(Cl)ccc1F ZINC000163799094 346577864 /nfs/dbraw/zinc/57/78/64/346577864.db2.gz RSOMZGIFEVAQJS-LHLIQPBNSA-N 0 0 213.639 2.672 10 30 BFEERN Cc1cc(C#N)cc(NC2C[C@H](C)O[C@@H](C)C2)n1 ZINC000588009650 346618215 /nfs/dbraw/zinc/61/82/15/346618215.db2.gz KGLAGYNAPKQKDI-QWRGUYRKSA-N 0 0 245.326 2.630 10 30 BFEERN CN[C@@H](C#N)c1ccc(C)c(Br)c1 ZINC000164768285 346624338 /nfs/dbraw/zinc/62/43/38/346624338.db2.gz MJKPIWVGORCKKY-JTQLQIEISA-N 0 0 239.116 2.542 10 30 BFEERN CO[C@@]12CCCC[C@@H]1c1ccccc1/C2=N\O ZINC000169563934 346765758 /nfs/dbraw/zinc/76/57/58/346765758.db2.gz IRJZURPQDJTRMK-LKOUJHMZSA-N 0 0 231.295 2.921 10 30 BFEERN Cc1nc(C#N)sc1-c1cc(C2CC2)no1 ZINC000669380238 537988340 /nfs/dbraw/zinc/98/83/40/537988340.db2.gz KDELLYVZDKXMJI-UHFFFAOYSA-N 0 0 231.280 2.856 10 30 BFEERN CCOc1ccc(Br)cc1C=NO ZINC000250516377 362807076 /nfs/dbraw/zinc/80/70/76/362807076.db2.gz OHTNAXRFUOZZOB-UHFFFAOYSA-N 0 0 244.088 2.656 10 30 BFEERN Cc1cccc(Cl)c1NC1=NCCS1 ZINC000013835954 362810573 /nfs/dbraw/zinc/81/05/73/362810573.db2.gz LUZRVVGHZCHDPK-UHFFFAOYSA-N 0 0 226.732 2.972 10 30 BFEERN COc1ccc(F)cc1CN[C@@H]1CCC[C@@H]1C#N ZINC000310843428 347311774 /nfs/dbraw/zinc/31/17/74/347311774.db2.gz LBSFPUISWIDHEF-ZWNOBZJWSA-N 0 0 248.301 2.616 10 30 BFEERN CC1(C)CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000300241453 136748928 /nfs/dbraw/zinc/74/89/28/136748928.db2.gz ISDVSJFSGBATEO-QJPTWQEYSA-N 0 0 234.343 2.621 10 30 BFEERN C[C@H]1Cc2c(c(Br)ccc2C#N)O1 ZINC000616567672 347435402 /nfs/dbraw/zinc/43/54/02/347435402.db2.gz OGXKIYSJXLYBEH-LURJTMIESA-N 0 0 238.084 2.644 10 30 BFEERN CCCC(C#N)(CCC)C(=O)N(C)CC ZINC000044814800 168572653 /nfs/dbraw/zinc/57/26/53/168572653.db2.gz ANFDVDYKZIKBPY-UHFFFAOYSA-N 0 0 210.321 2.575 10 30 BFEERN Cc1ccnc(N[C@@H]2CCC[C@H]3C[C@H]32)c1C#N ZINC000591994494 347721834 /nfs/dbraw/zinc/72/18/34/347721834.db2.gz XQTMFHCOEBTZTB-DMDPSCGWSA-N 0 0 227.311 2.862 10 30 BFEERN Cc1ccccc1NN=Cc1ccc([N+](=O)[O-])o1 ZINC000006566173 179295819 /nfs/dbraw/zinc/29/58/19/179295819.db2.gz WRHKGLHWWZKOBQ-MDWZMJQESA-N 0 0 245.238 2.942 10 30 BFEERN Cc1ccccc1C[C@H]1COCC[C@H]1S ZINC000095090234 179292073 /nfs/dbraw/zinc/29/20/73/179292073.db2.gz YTLRIRTYWKQGOT-QWHCGFSZSA-N 0 0 222.353 2.872 10 30 BFEERN Cc1nn(C)c(Nc2ccccc2C)c1C#N ZINC000104320337 179308616 /nfs/dbraw/zinc/30/86/16/179308616.db2.gz LGMGERBZRNJGRC-UHFFFAOYSA-N 0 0 226.283 2.652 10 30 BFEERN N#CCc1ccc2c(c1)OCc1ccccc1C2=O ZINC000196396709 347875372 /nfs/dbraw/zinc/87/53/72/347875372.db2.gz SLPXMHUTIDGOCQ-UHFFFAOYSA-N 0 0 249.269 2.876 10 30 BFEERN CC[C@@H](C#N)C(=O)c1c(F)cccc1F ZINC000036915944 347963760 /nfs/dbraw/zinc/96/37/60/347963760.db2.gz NUXSNCRVOVSGBE-ZETCQYMHSA-N 0 0 209.195 2.697 10 30 BFEERN N#C[C@H]1CCCC[C@H]1Sc1nncs1 ZINC000037155673 348025694 /nfs/dbraw/zinc/02/56/94/348025694.db2.gz JVIHCEFAOYRIOU-HTQZYQBOSA-N 0 0 225.342 2.713 10 30 BFEERN Cc1ncsc1-c1ccc(C#N)c(O)c1 ZINC000223342200 348232325 /nfs/dbraw/zinc/23/23/25/348232325.db2.gz VCLMFUPNCBAJRW-UHFFFAOYSA-N 0 0 216.265 2.696 10 30 BFEERN Cc1cccnc1CNCC#Cc1ccccc1 ZINC000071340109 179383229 /nfs/dbraw/zinc/38/32/29/179383229.db2.gz MFWSUSBMDCHRIL-UHFFFAOYSA-N 0 0 236.318 2.531 10 30 BFEERN Cc1ncccc1CN[C@H]1CCCC[C@H]1C#N ZINC000595689569 348314918 /nfs/dbraw/zinc/31/49/18/348314918.db2.gz MPIUJYDVSFVSSE-JSGCOSHPSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1c(Br)ccc(O)c1CC#N ZINC000216412673 349999972 /nfs/dbraw/zinc/99/99/72/349999972.db2.gz RNJFTLSMGXOASN-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN Cc1cc(C#N)cc(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597145945 348670883 /nfs/dbraw/zinc/67/08/83/348670883.db2.gz DNNJBVFOIKYPCM-LSDHHAIUSA-N 0 0 242.322 2.846 10 30 BFEERN N#CCc1ccc(N[C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000597084344 348655433 /nfs/dbraw/zinc/65/54/33/348655433.db2.gz SCCJQBRTQIZCNC-GJZGRUSLSA-N 0 0 242.322 2.732 10 30 BFEERN C#Cc1c(C)nc2ccccc2c1OCC ZINC000039099757 348814768 /nfs/dbraw/zinc/81/47/68/348814768.db2.gz PTPJSVDVIYUWNB-UHFFFAOYSA-N 0 0 211.264 2.923 10 30 BFEERN N#CCc1ccc(OCc2ccc(N)cc2)cc1 ZINC000022212847 187420251 /nfs/dbraw/zinc/42/02/51/187420251.db2.gz JVZCLHZNHAORJA-UHFFFAOYSA-N 0 0 238.290 2.914 10 30 BFEERN Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@H]32)cc1C#N ZINC000599342407 349153112 /nfs/dbraw/zinc/15/31/12/349153112.db2.gz QBGYHOKZZMYBFY-UKRRQHHQSA-N 0 0 226.323 2.851 10 30 BFEERN CSc1nc2ncc(C#N)c(Cl)c2s1 ZINC000034639088 349173566 /nfs/dbraw/zinc/17/35/66/349173566.db2.gz FAQBSROMTNQXJA-UHFFFAOYSA-N 0 0 241.728 2.938 10 30 BFEERN N#C[C@@H](NC1CCCCC1)c1cccnc1 ZINC000019985853 190981046 /nfs/dbraw/zinc/98/10/46/190981046.db2.gz OCNCQZHRHZJWHE-CYBMUJFWSA-N 0 0 215.300 2.569 10 30 BFEERN C=C(C[S@](=O)c1ccc(C)cc1)C(C)=O ZINC000210974444 349249636 /nfs/dbraw/zinc/24/96/36/349249636.db2.gz PUXUVBOFOSGCNP-WWRUEGTHSA-N 0 0 222.309 2.595 10 30 BFEERN Cc1n[nH]c(C)c1CNc1ccc(F)cc1C#N ZINC000097635533 179826159 /nfs/dbraw/zinc/82/61/59/179826159.db2.gz YVPNEGWCAMGMBQ-UHFFFAOYSA-N 0 0 244.273 2.649 10 30 BFEERN SCc1cc([C@]23C[C@H]2CCCC3)on1 ZINC000725253129 538036459 /nfs/dbraw/zinc/03/64/59/538036459.db2.gz XGCLETYMSGIJJO-LDYMZIIASA-N 0 0 209.314 2.936 10 30 BFEERN SCc1noc2c1CCc1ccccc1-2 ZINC000725253616 538037848 /nfs/dbraw/zinc/03/78/48/538037848.db2.gz BBKFFAHAFKUMFW-UHFFFAOYSA-N 0 0 217.293 2.870 10 30 BFEERN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@H]1C=O ZINC000616583209 349306524 /nfs/dbraw/zinc/30/65/24/349306524.db2.gz XRUPEDVKHIJTTG-JTQLQIEISA-N 0 0 241.331 2.611 10 30 BFEERN C=C[C@](O)(c1ccc(F)cc1)c1cccnc1 ZINC000039271816 350114138 /nfs/dbraw/zinc/11/41/38/350114138.db2.gz VIHHJGQRRANUJT-AWEZNQCLSA-N 0 0 229.254 2.643 10 30 BFEERN N#CCc1ccc(Br)nc1Cl ZINC000219401690 350125429 /nfs/dbraw/zinc/12/54/29/350125429.db2.gz BFJOLGQKHFWQGV-UHFFFAOYSA-N 0 0 231.480 2.564 10 30 BFEERN Cc1nc2cc(N(C)CCC#N)c(N)cc2s1 ZINC000035342404 180082526 /nfs/dbraw/zinc/08/25/26/180082526.db2.gz JWNWZGJOVGAWEG-UHFFFAOYSA-N 0 0 246.339 2.537 10 30 BFEERN Cc1nc2ccc(OCCC#N)cc2s1 ZINC000211688997 180095947 /nfs/dbraw/zinc/09/59/47/180095947.db2.gz KBZNQQTXAWEVLL-UHFFFAOYSA-N 0 0 218.281 2.897 10 30 BFEERN CCCCc1ccc(C(=O)N[C@H](C)C#N)cc1 ZINC000604543624 350143557 /nfs/dbraw/zinc/14/35/57/350143557.db2.gz KYSLWQWESKGUBV-LLVKDONJSA-N 0 0 230.311 2.671 10 30 BFEERN O=C(/C=C/Cl)c1ccc(F)c(F)c1 ZINC000219981908 350153922 /nfs/dbraw/zinc/15/39/22/350153922.db2.gz BQJUMWSLRBXAAS-ONEGZZNKSA-N 0 0 202.587 2.900 10 30 BFEERN Cc1ncc(CN[C@H]2CCCC[C@@H]2C#N)s1 ZINC000054826242 180157867 /nfs/dbraw/zinc/15/78/67/180157867.db2.gz PHOGDKHTOQQRJM-PWSUYJOCSA-N 0 0 235.356 2.624 10 30 BFEERN Cc1ccc([S@](=O)/N=C/c2ccco2)cc1 ZINC000008550566 350232001 /nfs/dbraw/zinc/23/20/01/350232001.db2.gz FNQBEXQHAHRRNP-LRFDDAOPSA-N 0 0 233.292 2.730 10 30 BFEERN COC(=O)[C@]1(C)O[C@]12CCC(C)(C)C[C@H]2C ZINC000252139194 538078316 /nfs/dbraw/zinc/07/83/16/538078316.db2.gz MXXNZAXEDWZMMW-ICCXJUOJSA-N 0 0 226.316 2.533 10 30 BFEERN Cc1nn(C)c(N(CC(C)C)CC(C)C)c1C#N ZINC000104307961 180352889 /nfs/dbraw/zinc/35/28/89/180352889.db2.gz UWQMFAMTGPFBHR-UHFFFAOYSA-N 0 0 248.374 2.719 10 30 BFEERN Cc1nn(C)c(N(C)[C@H]2CCCC[C@@H]2C)c1C#N ZINC000104319210 180353868 /nfs/dbraw/zinc/35/38/68/180353868.db2.gz XUVKJIUKZGGGPA-GWCFXTLKSA-N 0 0 246.358 2.615 10 30 BFEERN Cc1nn(C)c(Nc2cccc(F)c2F)c1C#N ZINC000104307952 180360808 /nfs/dbraw/zinc/36/08/08/180360808.db2.gz LWIXOXQDJHPJPU-UHFFFAOYSA-N 0 0 248.236 2.622 10 30 BFEERN Cc1ccoc1CN[C@@H]1CCCC[C@H]1C#N ZINC000309453626 350515243 /nfs/dbraw/zinc/51/52/43/350515243.db2.gz PAVZGSZZOWLOTF-NWDGAFQWSA-N 0 0 218.300 2.760 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@@]12CCC[C@H](C)C2 ZINC000252576963 538094679 /nfs/dbraw/zinc/09/46/79/538094679.db2.gz IPVRIONGKHXBJM-UHTWSYAYSA-N 0 0 226.316 2.533 10 30 BFEERN CC(C)(C)c1ccnc(C#N)c1OC1CC1 ZINC000095736561 187456298 /nfs/dbraw/zinc/45/62/98/187456298.db2.gz ALPIWACLFCPSFT-UHFFFAOYSA-N 0 0 216.284 2.792 10 30 BFEERN CC(C)[N@@H+]1CCCOC[C@@H]1c1ccc(C#N)cc1 ZINC000616598984 350699768 /nfs/dbraw/zinc/69/97/68/350699768.db2.gz GFGZAUPKIZTWQY-OAHLLOKOSA-N 0 0 244.338 2.730 10 30 BFEERN C=COc1ccc(Br)cc1C#N ZINC000306672655 350815837 /nfs/dbraw/zinc/81/58/37/350815837.db2.gz AYPWQDLKTNSTEL-UHFFFAOYSA-N 0 0 224.057 2.843 10 30 BFEERN CCOC(=O)N1CC[C@H](c2cccc(C#N)c2)C1 ZINC000616609981 350807847 /nfs/dbraw/zinc/80/78/47/350807847.db2.gz GWSCXPGMEXLUBM-ZDUSSCGKSA-N 0 0 244.294 2.504 10 30 BFEERN C#C[C@](C)(CC)Oc1ccnc(Cl)c1 ZINC000306706074 350853218 /nfs/dbraw/zinc/85/32/18/350853218.db2.gz LHUJMEFUXUNXOK-LLVKDONJSA-N 0 0 209.676 2.916 10 30 BFEERN COC(=O)N1CCCC[C@H]1c1cccc(C#N)c1 ZINC000616616742 350855941 /nfs/dbraw/zinc/85/59/41/350855941.db2.gz OJWGDFCKXCVJDB-ZDUSSCGKSA-N 0 0 244.294 2.852 10 30 BFEERN CC1(C)C[C@@H]1Nc1c(Cl)nsc1C#N ZINC000306709183 350859992 /nfs/dbraw/zinc/85/99/92/350859992.db2.gz LKVXGDXPJPOCQG-LURJTMIESA-N 0 0 227.720 2.879 10 30 BFEERN O=C(C1=COCC1)[C@@H]1CCCC(F)(F)C1 ZINC000306733694 350903394 /nfs/dbraw/zinc/90/33/94/350903394.db2.gz UBTJHGVKINZFNU-MRVPVSSYSA-N 0 0 216.227 2.685 10 30 BFEERN CC1CCC(C=O)([C@@H]2CCC[C@H]2O)CC1 ZINC000306734114 350903950 /nfs/dbraw/zinc/90/39/50/350903950.db2.gz UGWRPOCYARLEOE-QZQSVVMZSA-N 0 0 210.317 2.543 10 30 BFEERN C[C@@H]1CCC[C@H]([C@@H]2CCC[C@H](C=O)O2)C1 ZINC000306720652 350879395 /nfs/dbraw/zinc/87/93/95/350879395.db2.gz CYJJQVPTAHAENY-XQHKEYJVSA-N 0 0 210.317 2.949 10 30 BFEERN C[C@H](S)c1cnn(-c2ccccc2)c1 ZINC000128995743 350962886 /nfs/dbraw/zinc/96/28/86/350962886.db2.gz HJCTWZZVFIXEHL-VIFPVBQESA-N 0 0 204.298 2.863 10 30 BFEERN Cc1cccc(C(=O)[C@H](C)C#N)c1Cl ZINC000129113291 350985329 /nfs/dbraw/zinc/98/53/29/350985329.db2.gz NFCAPCGELHQGLF-MRVPVSSYSA-N 0 0 207.660 2.991 10 30 BFEERN C[C@H](C#N)Oc1cc(Cl)c(Cl)cc1N ZINC000231633057 350989680 /nfs/dbraw/zinc/98/96/80/350989680.db2.gz MTVDJNWCZKCRIZ-RXMQYKEDSA-N 0 0 231.082 2.866 10 30 BFEERN N#C[C@H](CO)Cc1c(Cl)cccc1Cl ZINC000063064059 351045553 /nfs/dbraw/zinc/04/55/53/351045553.db2.gz SBZQVKNEQFGZHR-SSDOTTSWSA-N 0 0 230.094 2.668 10 30 BFEERN CC[C@H](C#N)C(=O)c1ccc(F)cc1C ZINC000159867200 351014589 /nfs/dbraw/zinc/01/45/89/351014589.db2.gz DOFKAKNDAZSVEA-SECBINFHSA-N 0 0 205.232 2.867 10 30 BFEERN CC[C@@H](C#N)C(=O)c1ccc(F)cc1C ZINC000159867073 351014721 /nfs/dbraw/zinc/01/47/21/351014721.db2.gz DOFKAKNDAZSVEA-VIFPVBQESA-N 0 0 205.232 2.867 10 30 BFEERN O=C[C@@H]1CC[C@@H](c2sccc2Cl)O1 ZINC000306817399 351082963 /nfs/dbraw/zinc/08/29/63/351082963.db2.gz DMHLACUXTNLHLC-XPUUQOCRSA-N 0 0 216.689 2.821 10 30 BFEERN N#CCCNc1ccc(F)c(Br)c1 ZINC000159942282 351125095 /nfs/dbraw/zinc/12/50/95/351125095.db2.gz HKPQXPSASVNKEJ-UHFFFAOYSA-N 0 0 243.079 2.914 10 30 BFEERN CC(C)(C)N1CCOC[C@H]1c1ccccc1C#N ZINC000616641240 351147964 /nfs/dbraw/zinc/14/79/64/351147964.db2.gz GKQDQARJZAFWCQ-AWEZNQCLSA-N 0 0 244.338 2.730 10 30 BFEERN C[C@](O)(CC=O)c1ccc(Cl)cc1Cl ZINC000306824742 351132377 /nfs/dbraw/zinc/13/23/77/351132377.db2.gz VAKKFBBPZNQEEN-JTQLQIEISA-N 0 0 233.094 2.790 10 30 BFEERN CC(C)(C)N1CCOC[C@@H]1c1ccc(C#N)cc1 ZINC000616638438 351138852 /nfs/dbraw/zinc/13/88/52/351138852.db2.gz SQPUVLXSRXAUBX-CQSZACIVSA-N 0 0 244.338 2.730 10 30 BFEERN Cc1cnc([C@H](C)N[C@@H]2CCCC[C@@H]2C#N)o1 ZINC000231741685 351281610 /nfs/dbraw/zinc/28/16/10/351281610.db2.gz GAVBGBMCNWYPPC-QJPTWQEYSA-N 0 0 233.315 2.716 10 30 BFEERN Cc1cnc([C@H](C)N[C@H]2CCCC[C@@H]2C#N)o1 ZINC000231741689 351282420 /nfs/dbraw/zinc/28/24/20/351282420.db2.gz GAVBGBMCNWYPPC-TUAOUCFPSA-N 0 0 233.315 2.716 10 30 BFEERN O=C(C1=CCCO1)c1ncc(Cl)cc1Cl ZINC000168103216 351295238 /nfs/dbraw/zinc/29/52/38/351295238.db2.gz QVCWCCDTGXTAJA-UHFFFAOYSA-N 0 0 244.077 2.875 10 30 BFEERN O=C(c1ccc(Cl)s1)C1=CCCO1 ZINC000168360458 351388985 /nfs/dbraw/zinc/38/89/85/351388985.db2.gz PULNYUCTNHZMIU-UHFFFAOYSA-N 0 0 214.673 2.888 10 30 BFEERN O=CCn1ccc2c1cccc2Br ZINC000168196246 351337502 /nfs/dbraw/zinc/33/75/02/351337502.db2.gz WMBICNUZWVXUSN-UHFFFAOYSA-N 0 0 238.084 2.603 10 30 BFEERN C#CCCC(=O)c1ccc(Br)o1 ZINC000168265731 351361080 /nfs/dbraw/zinc/36/10/80/351361080.db2.gz MUYLGASBHWCJML-UHFFFAOYSA-N 0 0 227.057 2.638 10 30 BFEERN N#Cc1cccc(COCCc2ccccn2)c1 ZINC000034958484 351363851 /nfs/dbraw/zinc/36/38/51/351363851.db2.gz YZRUCSRFOBESGX-UHFFFAOYSA-N 0 0 238.290 2.713 10 30 BFEERN Cc1cc(Br)c([N+](=O)[O-])cc1C#N ZINC000307042520 351444579 /nfs/dbraw/zinc/44/45/79/351444579.db2.gz RPDQZBSUGHHNNJ-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN C[C@@H]1Cc2nc(Cl)c(C#N)cc2[C@@H](C)O1 ZINC000133627516 351413565 /nfs/dbraw/zinc/41/35/65/351413565.db2.gz HVIKXUNMVPSDOU-RNFRBKRXSA-N 0 0 222.675 2.629 10 30 BFEERN C=CCN(C)C(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000161626447 323547592 /nfs/dbraw/zinc/54/75/92/323547592.db2.gz YYJDDDOVNDUULP-QWHCGFSZSA-N 0 0 221.344 2.847 10 30 BFEERN Cn1c2cc(C#N)ccc2nc1C(C)(C)C ZINC000076212879 180615011 /nfs/dbraw/zinc/61/50/11/180615011.db2.gz MCQGZDPGLASKBU-UHFFFAOYSA-N 0 0 213.284 2.742 10 30 BFEERN N#CC1CC(Cc2ccc3c(c2)OCO3)C1 ZINC000606302826 351556481 /nfs/dbraw/zinc/55/64/81/351556481.db2.gz YNZCAXZRVSXSDT-UHFFFAOYSA-N 0 0 215.252 2.508 10 30 BFEERN C=C(C)[C@@H](O)c1ccc(N)cc1Br ZINC000307244221 351749036 /nfs/dbraw/zinc/74/90/36/351749036.db2.gz UIMZAPQDXRGTJT-SNVBAGLBSA-N 0 0 242.116 2.641 10 30 BFEERN C=C[C@@H](C)Oc1cc(OCCC)ccc1CO ZINC000052142654 187531912 /nfs/dbraw/zinc/53/19/12/187531912.db2.gz QYVGUHQMOQUZIQ-LLVKDONJSA-N 0 0 236.311 2.921 10 30 BFEERN N#Cc1ccc(N)c(OCc2ccccc2)c1 ZINC000130517439 363118393 /nfs/dbraw/zinc/11/83/93/363118393.db2.gz ZFKNIRSHXMOACQ-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN CCC(C#N)(CC)C(=O)Nc1ccccc1OC ZINC000044764656 352392362 /nfs/dbraw/zinc/39/23/62/352392362.db2.gz ZAMDTJVLVHGIDE-UHFFFAOYSA-N 0 0 246.310 2.964 10 30 BFEERN CC[C@H](NC(=O)C(C#N)(CC)CC)C(C)C ZINC000044766493 352393985 /nfs/dbraw/zinc/39/39/85/352393985.db2.gz WAFGWVJYWWAOCK-NSHDSACASA-N 0 0 224.348 2.867 10 30 BFEERN C=C(C)C(C)(C)C(=O)N1CCOC(C)(C)[C@H]1C ZINC000335202619 352419118 /nfs/dbraw/zinc/41/91/18/352419118.db2.gz IADXKPUGJKRMFM-LLVKDONJSA-N 0 0 239.359 2.615 10 30 BFEERN CC[C@H](C#N)C(=O)N[C@@H](C)c1ccccc1C ZINC000044825676 352442677 /nfs/dbraw/zinc/44/26/77/352442677.db2.gz YODAVISPXVCDLO-NWDGAFQWSA-N 0 0 230.311 2.722 10 30 BFEERN O=C(c1ccc(F)cc1)C1=COCCC1 ZINC000160003379 352552138 /nfs/dbraw/zinc/55/21/38/352552138.db2.gz RCUKDQYANGRTJP-UHFFFAOYSA-N 0 0 206.216 2.703 10 30 BFEERN C#C[C@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000261507858 187744911 /nfs/dbraw/zinc/74/49/11/187744911.db2.gz MXYAPLCIFKXWOM-WDEREUQCSA-N 0 0 223.316 2.703 10 30 BFEERN CO/N=C(/C)c1ccc(Br)cc1O ZINC000307548698 352646702 /nfs/dbraw/zinc/64/67/02/352646702.db2.gz MTFXDADJAYNTCF-WDZFZDKYSA-N 0 0 244.088 2.525 10 30 BFEERN Cc1c(Cl)c([N+](=O)[O-])ccc1CC#N ZINC000307549013 352647387 /nfs/dbraw/zinc/64/73/87/352647387.db2.gz PAWAVMUPRAWDFD-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN C[C@@H]1CC[C@]1(C#N)NCc1cccs1 ZINC000307567556 352653658 /nfs/dbraw/zinc/65/36/58/352653658.db2.gz QWUIAUHQIMQARF-MWLCHTKSSA-N 0 0 206.314 2.530 10 30 BFEERN C=C(Cl)CSc1ccc(N)nc1 ZINC000037192702 187768872 /nfs/dbraw/zinc/76/88/72/187768872.db2.gz IKVFDGGIMNYCHZ-UHFFFAOYSA-N 0 0 200.694 2.508 10 30 BFEERN N#C[C@@H](NC1CCCC1)c1cccc(F)c1 ZINC000037968375 187771415 /nfs/dbraw/zinc/77/14/15/187771415.db2.gz NFCGUOLBEFIUOU-CYBMUJFWSA-N 0 0 218.275 2.923 10 30 BFEERN C=C[C@H](C)c1c(O)ccc(C(C)=O)c1O ZINC000075612662 187771611 /nfs/dbraw/zinc/77/16/11/187771611.db2.gz ORMMBNPUNOBQOS-ZETCQYMHSA-N 0 0 206.241 2.590 10 30 BFEERN C=C([C@H](O)[C@@H]1CCC[C@@H]1C)C(F)(F)F ZINC000307639585 352725851 /nfs/dbraw/zinc/72/58/51/352725851.db2.gz CAHBEBYYQJWUTD-ZQARSLAVSA-N 0 0 208.223 2.902 10 30 BFEERN C=C([C@H](O)[C@@H]1CCC[C@H]1C)C(F)(F)F ZINC000307639579 352725955 /nfs/dbraw/zinc/72/59/55/352725955.db2.gz CAHBEBYYQJWUTD-VDAHYXPESA-N 0 0 208.223 2.902 10 30 BFEERN N#Cc1ccc(C(F)(F)F)c(Cl)c1N ZINC000307651438 352741463 /nfs/dbraw/zinc/74/14/63/352741463.db2.gz LXTIBWZMQCDLJG-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN Cc1ccc([N+](=O)[O-])c(Cl)c1CC#N ZINC000307651173 352742862 /nfs/dbraw/zinc/74/28/62/352742862.db2.gz LHZHRJNJSUDRLC-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN N#CC1(c2nncs2)CCCCCC1 ZINC000307660181 352745252 /nfs/dbraw/zinc/74/52/52/352745252.db2.gz BGGXROFCFFMMLZ-UHFFFAOYSA-N 0 0 207.302 2.654 10 30 BFEERN C[C@@]1(c2c(F)cccc2Cl)O[C@H]1C#N ZINC000307678952 352756540 /nfs/dbraw/zinc/75/65/40/352756540.db2.gz PPHDRTKABFZDLX-WCBMZHEXSA-N 0 0 211.623 2.617 10 30 BFEERN N#Cc1ccc2cc(F)c(Cl)cc2n1 ZINC000062569672 187872151 /nfs/dbraw/zinc/87/21/51/187872151.db2.gz PXGGZFSXVCZBQV-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN C#C[C@@H](C)Nc1nc(Cl)nc2sccc21 ZINC000229335594 353126031 /nfs/dbraw/zinc/12/60/31/353126031.db2.gz RKRUMDFBWWGWGT-ZCFIWIBFSA-N 0 0 237.715 2.778 10 30 BFEERN N#C[C@@H](C(=O)C1CCC1)c1cccs1 ZINC000052902543 353132019 /nfs/dbraw/zinc/13/20/19/353132019.db2.gz XDAXQBDPMCMCNZ-SECBINFHSA-N 0 0 205.282 2.724 10 30 BFEERN C/C=C/C(=O)c1occc1Br ZINC000232563243 353133447 /nfs/dbraw/zinc/13/34/47/353133447.db2.gz NLWDTRGTPZLXIO-NSCUHMNNSA-N 0 0 215.046 2.801 10 30 BFEERN C#CC[C@H](C)Nc1cccc(Br)n1 ZINC000229328114 353121245 /nfs/dbraw/zinc/12/12/45/353121245.db2.gz JJDDYPUZTFTFEN-QMMMGPOBSA-N 0 0 239.116 2.668 10 30 BFEERN CC(=O)/C=C/c1occc1Br ZINC000232629921 353146453 /nfs/dbraw/zinc/14/64/53/353146453.db2.gz RWZASGUBOFOBQQ-NSCUHMNNSA-N 0 0 215.046 2.644 10 30 BFEERN N#Cc1cccc(-n2ncc3ccccc32)c1 ZINC000075944761 188097745 /nfs/dbraw/zinc/09/77/45/188097745.db2.gz AOHWDXHXVCZAME-UHFFFAOYSA-N 0 0 219.247 2.897 10 30 BFEERN ON=C1CCN(Cc2ccccc2Cl)CC1 ZINC000019512554 188107742 /nfs/dbraw/zinc/10/77/42/188107742.db2.gz DGNFLTFUQAVWDL-UHFFFAOYSA-N 0 0 238.718 2.766 10 30 BFEERN COc1cc(C)c(Br)c(CC#N)c1 ZINC000036405913 188112100 /nfs/dbraw/zinc/11/21/00/188112100.db2.gz YWPOPHQNRBKPNK-UHFFFAOYSA-N 0 0 240.100 2.832 10 30 BFEERN N#C[C@]1(NCC(F)(F)F)CCc2ccccc21 ZINC000037971014 188115699 /nfs/dbraw/zinc/11/56/99/188115699.db2.gz BIZOLCKAJXCBSO-LLVKDONJSA-N 0 0 240.228 2.504 10 30 BFEERN CC(C)N(CCC#N)[C@@H]1C[C@H](C)CC[C@@H]1C#N ZINC000042528769 188120362 /nfs/dbraw/zinc/12/03/62/188120362.db2.gz SRGMAVVYNXFSDP-MGPQQGTHSA-N 0 0 233.359 2.939 10 30 BFEERN N#CCCN(c1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000042549618 188120639 /nfs/dbraw/zinc/12/06/39/188120639.db2.gz VZKNYUWCIUYWKN-UHFFFAOYSA-N 0 0 249.245 2.616 10 30 BFEERN N#C[C@@H](c1ccsc1)c1ccccn1 ZINC000015042110 188105974 /nfs/dbraw/zinc/10/59/74/188105974.db2.gz YFVRMVBPYQHUHS-JTQLQIEISA-N 0 0 200.266 2.799 10 30 BFEERN CC(C)(C)OC(=O)N1CCC[C@@H](CCS)C1 ZINC000095085223 188145307 /nfs/dbraw/zinc/14/53/07/188145307.db2.gz IIQAZBPDSWTIGA-JTQLQIEISA-N 0 0 245.388 2.953 10 30 BFEERN COc1ccc(C[C@H]2COCC[C@@H]2S)cc1 ZINC000095076286 188145450 /nfs/dbraw/zinc/14/54/50/188145450.db2.gz SIFQRAYZROMASP-AAEUAGOBSA-N 0 0 238.352 2.573 10 30 BFEERN CCC[C@]1(C(=O)OCC)O[C@]12CCC2(C)C ZINC000309184593 538110721 /nfs/dbraw/zinc/11/07/21/538110721.db2.gz GRDAMUPOHSELSJ-OLZOCXBDSA-N 0 0 226.316 2.677 10 30 BFEERN CC1(C)CC[C@]2(O[C@@H]2C#N)c2ccccc21 ZINC000309419639 538112055 /nfs/dbraw/zinc/11/20/55/538112055.db2.gz BNOLMVKILUWWHP-OCCSQVGLSA-N 0 0 213.280 2.876 10 30 BFEERN C/C=C/CCNc1ccc(Cl)c(C#N)n1 ZINC000301293064 188160817 /nfs/dbraw/zinc/16/08/17/188160817.db2.gz OEQZHHBQWQFQTN-NSCUHMNNSA-N 0 0 221.691 2.985 10 30 BFEERN C/C(=N\O)c1ccccc1OCCCCC#N ZINC000103351008 188160827 /nfs/dbraw/zinc/16/08/27/188160827.db2.gz QCDTXFFCAAPOQD-RVDMUPIBSA-N 0 0 232.283 2.957 10 30 BFEERN C[C@H]1CC(CNc2ccnc(C#N)c2)C[C@H](C)O1 ZINC000286145958 188208328 /nfs/dbraw/zinc/20/83/28/188208328.db2.gz AFPMZMZIUGRKOP-QWRGUYRKSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@@H]1CC(CNc2cccnc2C#N)C[C@@H](C)O1 ZINC000290966599 188211431 /nfs/dbraw/zinc/21/14/31/188211431.db2.gz PHGLLQYMHKEYDC-GHMZBOCLSA-N 0 0 245.326 2.569 10 30 BFEERN C=CCC(C)(C)CN1C(=O)c2ccccc2C1=O ZINC000091692307 188222541 /nfs/dbraw/zinc/22/25/41/188222541.db2.gz CLJVUWRWJZJMTD-UHFFFAOYSA-N 0 0 243.306 2.885 10 30 BFEERN C=CCC[C@H](O)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000129241976 353313945 /nfs/dbraw/zinc/31/39/45/353313945.db2.gz WZQBMKIMYQVQNS-QWHCGFSZSA-N 0 0 235.327 2.744 10 30 BFEERN Fc1ccc(/N=C/c2cccnc2)cc1 ZINC000000570718 180961509 /nfs/dbraw/zinc/96/15/09/180961509.db2.gz DKPRPSJVGMVMMW-OQLLNIDSSA-N 0 0 200.216 2.971 10 30 BFEERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000094239599 353510998 /nfs/dbraw/zinc/51/09/98/353510998.db2.gz BCCRCERYQJMTTK-MFKMUULPSA-N 0 0 246.285 2.556 10 30 BFEERN CC#CC[NH2+][C@H]1CCCc2sccc21 ZINC000061362151 353513283 /nfs/dbraw/zinc/51/32/83/353513283.db2.gz SCHQTJDAZYHOKI-NSHDSACASA-N 0 0 205.326 2.738 10 30 BFEERN C#CCCCC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000191932980 353522897 /nfs/dbraw/zinc/52/28/97/353522897.db2.gz RFUXEKKXJMKMMB-NSHDSACASA-N 0 0 219.284 2.569 10 30 BFEERN C=C[C@@](C)(CC)C(=O)N[C@H]1COc2ccccc21 ZINC000134993357 353527405 /nfs/dbraw/zinc/52/74/05/353527405.db2.gz WYPGMVHIWYTTGH-WFASDCNBSA-N 0 0 245.322 2.839 10 30 BFEERN C#C[C@@H](C)Nc1cccc(Br)c1 ZINC000135162848 353540498 /nfs/dbraw/zinc/54/04/98/353540498.db2.gz LQDGFCZYVDUEGK-MRVPVSSYSA-N 0 0 224.101 2.883 10 30 BFEERN Cc1nc(O[C@@H](C)C(F)(F)F)ccc1C#N ZINC000380531325 353586862 /nfs/dbraw/zinc/58/68/62/353586862.db2.gz DMSGTMOZYRJARD-ZETCQYMHSA-N 0 0 230.189 2.591 10 30 BFEERN Cc1cc(F)ccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000135351101 353551027 /nfs/dbraw/zinc/55/10/27/353551027.db2.gz NHAZSOISJFGHSB-GXFFZTMASA-N 0 0 246.285 2.556 10 30 BFEERN CC(=O)/C(C)=C/c1ncc(Cl)s1 ZINC000223275670 353602735 /nfs/dbraw/zinc/60/27/35/353602735.db2.gz ZXALKQCNMAZPRS-HWKANZROSA-N 0 0 201.678 2.789 10 30 BFEERN N#CCCN(c1c(N)cccc1Cl)C1CC1 ZINC000042531297 188477288 /nfs/dbraw/zinc/47/72/88/188477288.db2.gz CHXBFJMVWHKCTN-UHFFFAOYSA-N 0 0 235.718 2.805 10 30 BFEERN C=C(C)C(=O)Cc1ccc2c(c1)CCC2 ZINC000232576106 353735579 /nfs/dbraw/zinc/73/55/79/353735579.db2.gz WDIDEACVRQJGRE-UHFFFAOYSA-N 0 0 200.281 2.863 10 30 BFEERN C[C@H](c1cccs1)N(C)C1=CC(=O)CC1 ZINC000160219300 353737806 /nfs/dbraw/zinc/73/78/06/353737806.db2.gz XBQXEKNZBWKVCH-SECBINFHSA-N 0 0 221.325 2.988 10 30 BFEERN C=C(C)C[C@H](C)C(=O)N1CCS[C@@H](C)C1 ZINC000185472660 353808706 /nfs/dbraw/zinc/80/87/06/353808706.db2.gz KKQHPAVKYLTMSB-QWRGUYRKSA-N 0 0 227.373 2.553 10 30 BFEERN CCC[C@@H](C)N(C)C(=O)[C@H](C#N)CCC ZINC000044823317 188507553 /nfs/dbraw/zinc/50/75/53/188507553.db2.gz WSKHVZYIPBLDEW-MNOVXSKESA-N 0 0 210.321 2.573 10 30 BFEERN N#CC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000036924942 181032017 /nfs/dbraw/zinc/03/20/17/181032017.db2.gz JGSMIVURYKEKIM-UHFFFAOYSA-N 0 0 229.279 2.793 10 30 BFEERN N#CC1(NC(=O)C2CCCC2)CCCCCC1 ZINC000040221581 181029479 /nfs/dbraw/zinc/02/94/79/181029479.db2.gz PAQXCVPNVBUPTE-UHFFFAOYSA-N 0 0 234.343 2.909 10 30 BFEERN N#CC1(NC(=O)CC(F)(F)F)CCCCCC1 ZINC000040221697 181029996 /nfs/dbraw/zinc/02/99/96/181029996.db2.gz VKTGYABNIXFGHO-UHFFFAOYSA-N 0 0 248.248 2.672 10 30 BFEERN N#CCCN(C1CC1)[C@@H]1CCCCC[C@@H]1C#N ZINC000042531125 181037245 /nfs/dbraw/zinc/03/72/45/181037245.db2.gz ZKDPEYUTSNSQCN-TZMCWYRMSA-N 0 0 231.343 2.837 10 30 BFEERN N#CCCN(CC(F)(F)F)c1ccccc1 ZINC000019517429 181037283 /nfs/dbraw/zinc/03/72/83/181037283.db2.gz BFHTXPUUXQNRMV-UHFFFAOYSA-N 0 0 228.217 2.969 10 30 BFEERN N#CCc1c(Br)[nH]c2ccccc21 ZINC000082301023 181047186 /nfs/dbraw/zinc/04/71/86/181047186.db2.gz JZYCINFSLNJNEP-UHFFFAOYSA-N 0 0 235.084 2.996 10 30 BFEERN N#Cc1cccc(-c2c[nH]c(=S)[nH]2)c1 ZINC000087200472 353973271 /nfs/dbraw/zinc/97/32/71/353973271.db2.gz NKVRWQBMVRVYBS-UHFFFAOYSA-N 0 0 201.254 2.611 10 30 BFEERN N#CCNc1ccc(Cl)cc1Cl ZINC000020042831 181043253 /nfs/dbraw/zinc/04/32/53/181043253.db2.gz WPJWITLLYXUSRV-UHFFFAOYSA-N 0 0 201.056 2.929 10 30 BFEERN N#CCNc1ccccc1OC(F)(F)F ZINC000020048302 181043377 /nfs/dbraw/zinc/04/33/77/181043377.db2.gz ABILDQMCNPMIIJ-UHFFFAOYSA-N 0 0 216.162 2.521 10 30 BFEERN N#CC[C@@H](NCc1cccnc1)c1ccccc1 ZINC000055016056 181044968 /nfs/dbraw/zinc/04/49/68/181044968.db2.gz MLZCCYAUAYJBRH-OAHLLOKOSA-N 0 0 237.306 2.826 10 30 BFEERN N#CC[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000085878244 181046192 /nfs/dbraw/zinc/04/61/92/181046192.db2.gz PPTNXEHDMZHGOJ-VIFPVBQESA-N 0 0 216.067 2.940 10 30 BFEERN N#CC[C@H]1CNc2cc(Br)ccc21 ZINC000071487042 181046281 /nfs/dbraw/zinc/04/62/81/181046281.db2.gz FSKRWTLNIIJACB-ZETCQYMHSA-N 0 0 237.100 2.872 10 30 BFEERN N#CCc1cc(-c2ccncc2)cs1 ZINC000047214472 181046911 /nfs/dbraw/zinc/04/69/11/181046911.db2.gz VCUPZINMTGCNHR-UHFFFAOYSA-N 0 0 200.266 2.876 10 30 BFEERN N#CCc1noc(-c2ccc(Cl)s2)n1 ZINC000073641522 181050392 /nfs/dbraw/zinc/05/03/92/181050392.db2.gz FFSOQWVQRHETDX-UHFFFAOYSA-N 0 0 225.660 2.518 10 30 BFEERN N#CCc1noc(-c2ccc(F)c(Cl)c2)n1 ZINC000073641402 181051036 /nfs/dbraw/zinc/05/10/36/181051036.db2.gz FGUACQQLTNVRHZ-UHFFFAOYSA-N 0 0 237.621 2.595 10 30 BFEERN N#C[C@@H](C(=O)C1CCC1)c1cc(F)cc(F)c1 ZINC000049350217 181054765 /nfs/dbraw/zinc/05/47/65/181054765.db2.gz XJPOXGZIKZMOCI-GFCCVEGCSA-N 0 0 235.233 2.941 10 30 BFEERN N#C[C@@H](Cc1cccc(O)c1)c1ccc(O)cc1 ZINC000027422893 181055353 /nfs/dbraw/zinc/05/53/53/181055353.db2.gz HBUZYBIFLYMXQO-CYBMUJFWSA-N 0 0 239.274 2.948 10 30 BFEERN N#C[C@@H](Cc1cccc(O)c1)c1cccc(O)c1 ZINC000027428772 181055655 /nfs/dbraw/zinc/05/56/55/181055655.db2.gz QEWOMWBVYXEBCD-CYBMUJFWSA-N 0 0 239.274 2.948 10 30 BFEERN N#C[C@@H](N)CCSc1ccc(Cl)cc1 ZINC000062452751 181055720 /nfs/dbraw/zinc/05/57/20/181055720.db2.gz FTTCPXVUWREDPD-VIFPVBQESA-N 0 0 226.732 2.673 10 30 BFEERN N#C[C@@H](N)CSc1ccc2ccccc2c1 ZINC000045365770 181056559 /nfs/dbraw/zinc/05/65/59/181056559.db2.gz NTVRKUZNAJGRDW-GFCCVEGCSA-N 0 0 228.320 2.783 10 30 BFEERN N#C[C@H](NC1CCCC1)c1ccsc1 ZINC000037968383 181065722 /nfs/dbraw/zinc/06/57/22/181065722.db2.gz ZUTROMYLGWGJKU-NSHDSACASA-N 0 0 206.314 2.845 10 30 BFEERN N#C[C@H](NC1CCCC1)c1cccs1 ZINC000019984969 181066200 /nfs/dbraw/zinc/06/62/00/181066200.db2.gz QPRAVZXWBOBGRG-JTQLQIEISA-N 0 0 206.314 2.845 10 30 BFEERN N#C[C@H](NC1CCCCC1)c1ccc(O)c(O)c1 ZINC000037969237 181066238 /nfs/dbraw/zinc/06/62/38/181066238.db2.gz TUZZPAZNEWKBEZ-LBPRGKRZSA-N 0 0 246.310 2.585 10 30 BFEERN N#C[C@H](Nc1ccccc1Cl)[C@H]1CCOC1 ZINC000037938190 181067000 /nfs/dbraw/zinc/06/70/00/181067000.db2.gz YOLUXJOQSIOKGJ-CABZTGNLSA-N 0 0 236.702 2.681 10 30 BFEERN N#C[C@@H]1CCCCC[C@@H]1NCc1ccco1 ZINC000054824448 181058801 /nfs/dbraw/zinc/05/88/01/181058801.db2.gz XVGVVEYWPURLTQ-AAEUAGOBSA-N 0 0 218.300 2.842 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1Nc1ccc(F)cc1 ZINC000054824002 181059888 /nfs/dbraw/zinc/05/98/88/181059888.db2.gz VDROMUIJFUBKJK-CABZTGNLSA-N 0 0 204.248 2.930 10 30 BFEERN N#C[C@H](C(=O)C1CCC1)c1cc(F)cc(F)c1 ZINC000049350221 181062345 /nfs/dbraw/zinc/06/23/45/181062345.db2.gz XJPOXGZIKZMOCI-LBPRGKRZSA-N 0 0 235.233 2.941 10 30 BFEERN N#C[C@H](C=O)c1ccccc1C(F)(F)F ZINC000095911151 181062413 /nfs/dbraw/zinc/06/24/13/181062413.db2.gz IPFKQJJUHJOWAE-SSDOTTSWSA-N 0 0 213.158 2.511 10 30 BFEERN C=C[C@H]1COC(=O)[C@@H]1Sc1ccccc1 ZINC000104831101 188574847 /nfs/dbraw/zinc/57/48/47/188574847.db2.gz OLBCFPYMWDGTSC-GXSJLCMTSA-N 0 0 220.293 2.506 10 30 BFEERN N#Cc1c(C(F)(F)F)cncc1C(F)(F)F ZINC000091252248 181072389 /nfs/dbraw/zinc/07/23/89/181072389.db2.gz OSTOFURPIBSZDM-UHFFFAOYSA-N 0 0 240.106 2.991 10 30 BFEERN N#C[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1 ZINC000033434417 181067760 /nfs/dbraw/zinc/06/77/60/181067760.db2.gz BEQMYMKRWXBHJZ-LLVKDONJSA-N 0 0 236.274 2.716 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1ccccc1F ZINC000054824084 181068565 /nfs/dbraw/zinc/06/85/65/181068565.db2.gz OXAPNUKYHKKDKO-MFKMUULPSA-N 0 0 218.275 2.608 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1cccc(F)c1 ZINC000054824653 181070005 /nfs/dbraw/zinc/07/00/05/181070005.db2.gz OSXQIJJGHJFTGB-DGCLKSJQSA-N 0 0 218.275 2.608 10 30 BFEERN N#C[C@H]1COc2ccc(Br)cc2C1 ZINC000095932411 181070852 /nfs/dbraw/zinc/07/08/52/181070852.db2.gz KSIUJGZHDTVVQC-ZETCQYMHSA-N 0 0 238.084 2.524 10 30 BFEERN N#Cc1c(F)cccc1N[C@@H]1CCCCC[C@@H]1O ZINC000037892739 181076358 /nfs/dbraw/zinc/07/63/58/181076358.db2.gz IZAHBJNOPQNIRY-KGLIPLIRSA-N 0 0 248.301 2.803 10 30 BFEERN N#Cc1c(F)cccc1NCc1cncs1 ZINC000054770552 181076497 /nfs/dbraw/zinc/07/64/97/181076497.db2.gz DRCKJHFRVXWZMK-UHFFFAOYSA-N 0 0 233.271 2.766 10 30 BFEERN N#Cc1ccc(-c2ccc(CO)cc2)s1 ZINC000079387284 181094976 /nfs/dbraw/zinc/09/49/76/181094976.db2.gz PULRQWHCJYPGCY-UHFFFAOYSA-N 0 0 215.277 2.779 10 30 BFEERN N#Cc1ccc(-c2ccccc2N)s1 ZINC000050266912 181095983 /nfs/dbraw/zinc/09/59/83/181095983.db2.gz IKUFPIWZCPYRNA-UHFFFAOYSA-N 0 0 200.266 2.869 10 30 BFEERN N#Cc1cc(N)ccc1OC1CCCCC1 ZINC000040887484 181089418 /nfs/dbraw/zinc/08/94/18/181089418.db2.gz BURZJIMBTCSYBS-UHFFFAOYSA-N 0 0 216.284 2.852 10 30 BFEERN N#Cc1cc(N)ccc1NC(C1CC1)C1CC1 ZINC000049234724 181089694 /nfs/dbraw/zinc/08/96/94/181089694.db2.gz FTLXQYCKZNCNGM-UHFFFAOYSA-N 0 0 227.311 2.741 10 30 BFEERN N#Cc1cc(N)cnc1Nc1ccc(F)cc1F ZINC000037758998 181090078 /nfs/dbraw/zinc/09/00/78/181090078.db2.gz VHZSYQQQWCKQLQ-UHFFFAOYSA-N 0 0 246.220 2.557 10 30 BFEERN N#Cc1cc(NC2CCOCC2)ccc1Cl ZINC000036972860 181091119 /nfs/dbraw/zinc/09/11/19/181091119.db2.gz BLLKQXVMZKTHSQ-UHFFFAOYSA-N 0 0 236.702 2.803 10 30 BFEERN N#Cc1cc(N[C@H]2CCSC2)ccc1F ZINC000051635137 181091905 /nfs/dbraw/zinc/09/19/05/181091905.db2.gz DSKSRUYFJMSOHE-JTQLQIEISA-N 0 0 222.288 2.615 10 30 BFEERN N#Cc1cc(O)cc(-c2ccc(C=O)cc2)c1 ZINC000065341315 181092019 /nfs/dbraw/zinc/09/20/19/181092019.db2.gz DMXDDZKQRVBYEL-UHFFFAOYSA-N 0 0 223.231 2.743 10 30 BFEERN N#Cc1ccc(COCC2CC2)c(F)c1 ZINC000019870796 181110961 /nfs/dbraw/zinc/11/09/61/181110961.db2.gz RMMACCBLKCYWEL-UHFFFAOYSA-N 0 0 205.232 2.624 10 30 BFEERN N#Cc1ccc(COc2ccc(N)cc2F)cc1 ZINC000037064916 181111001 /nfs/dbraw/zinc/11/10/01/181111001.db2.gz LADCSYDGOZMUAE-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#Cc1ccc(COc2ccccc2N)c(F)c1 ZINC000019278571 181110840 /nfs/dbraw/zinc/11/08/40/181110840.db2.gz MSZSUGWUDMTKOP-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#Cc1ccc(N2C[C@H]3CCCC[C@H]32)cc1 ZINC000377981452 181117419 /nfs/dbraw/zinc/11/74/19/181117419.db2.gz FFKGDEOSTNDILW-TZMCWYRMSA-N 0 0 212.296 2.937 10 30 BFEERN N#Cc1ccc(NCc2cccc(F)c2)c(N)c1 ZINC000035674432 181123670 /nfs/dbraw/zinc/12/36/70/181123670.db2.gz DSPXREJCCNRGBE-UHFFFAOYSA-N 0 0 241.269 2.892 10 30 BFEERN N#Cc1ccc(NC[C@@H]2[C@H]3COC[C@H]32)cc1Cl ZINC000376187546 181123758 /nfs/dbraw/zinc/12/37/58/181123758.db2.gz LEDBPIFPDRZULY-CNDDSTCGSA-N 0 0 248.713 2.516 10 30 BFEERN CCC1CCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000334646352 354436386 /nfs/dbraw/zinc/43/63/86/354436386.db2.gz PDKVQTCEQAUZOO-CHWSQXEVSA-N 0 0 249.358 2.510 10 30 BFEERN N#Cc1ccc(OCc2ccccc2)c(O)c1 ZINC000022016884 181128870 /nfs/dbraw/zinc/12/88/70/181128870.db2.gz WXWYOLTXMVROOJ-UHFFFAOYSA-N 0 0 225.247 2.843 10 30 BFEERN N#Cc1ccc(NCc2ccc(O)cc2O)cc1 ZINC000019950950 181123272 /nfs/dbraw/zinc/12/32/72/181123272.db2.gz KZLGLZRQICQGAZ-UHFFFAOYSA-N 0 0 240.262 2.582 10 30 BFEERN N#Cc1ccc2nc(Cl)c(Cl)nc2c1 ZINC000039268607 181133251 /nfs/dbraw/zinc/13/32/51/181133251.db2.gz OTEQFJHSOHZDRR-UHFFFAOYSA-N 0 0 224.050 2.808 10 30 BFEERN N#Cc1ccc([C@@H](C#N)NCc2ccccc2)cc1 ZINC000037939415 181129720 /nfs/dbraw/zinc/12/97/20/181129720.db2.gz AEZLEEXVKDRAON-MRXNPFEDSA-N 0 0 247.301 2.913 10 30 BFEERN N#Cc1ccc(Sc2ncccc2N)cc1 ZINC000042143613 181129974 /nfs/dbraw/zinc/12/99/74/181129974.db2.gz ICOVGIPDAXHUAW-UHFFFAOYSA-N 0 0 227.292 2.687 10 30 BFEERN N#Cc1ccccc1COc1cccc(O)c1 ZINC000036896964 181146746 /nfs/dbraw/zinc/14/67/46/181146746.db2.gz ZSAJLYVVNLMVMU-UHFFFAOYSA-N 0 0 225.247 2.843 10 30 BFEERN N#Cc1ccnc(C(F)(F)F)c1OC1CC1 ZINC000095736264 181155502 /nfs/dbraw/zinc/15/55/02/181155502.db2.gz COHRXRITOOLTJA-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1NCc1cccc(O)c1 ZINC000383683695 354890514 /nfs/dbraw/zinc/89/05/14/354890514.db2.gz CVUDHBIJDMTPTP-OCCSQVGLSA-N 0 0 230.311 2.564 10 30 BFEERN N#Cc1ccnc(Oc2ccc([N+](=O)[O-])cc2)c1 ZINC000037980020 181157926 /nfs/dbraw/zinc/15/79/26/181157926.db2.gz OYTUSHAPCRCUPH-UHFFFAOYSA-N 0 0 241.206 2.654 10 30 BFEERN C=C(Cl)CNc1nc(C)c(C)s1 ZINC000130598800 363435529 /nfs/dbraw/zinc/43/55/29/363435529.db2.gz QIZNSUHKXULTEF-UHFFFAOYSA-N 0 0 202.710 2.924 10 30 BFEERN N#Cc1nc(C2CC2)c(Br)s1 ZINC000072192984 181168556 /nfs/dbraw/zinc/16/85/56/181168556.db2.gz PBCVCVVVEWADMK-UHFFFAOYSA-N 0 0 229.102 2.655 10 30 BFEERN N#Cc1ncccc1CNc1ccccc1 ZINC000061656786 181170216 /nfs/dbraw/zinc/17/02/16/181170216.db2.gz WDXBVBYJOYANFM-UHFFFAOYSA-N 0 0 209.252 2.565 10 30 BFEERN N#Cc1nc(Br)ccc1C(F)F ZINC000096308596 181167296 /nfs/dbraw/zinc/16/72/96/181167296.db2.gz GSYQRHOOHHAICU-UHFFFAOYSA-N 0 0 233.015 2.653 10 30 BFEERN N#Cc1nccnc1Nc1ccsc1Cl ZINC000302491133 181175130 /nfs/dbraw/zinc/17/51/30/181175130.db2.gz KBZKEUCHZTUWCD-UHFFFAOYSA-N 0 0 236.687 2.807 10 30 BFEERN N#Cc1sc(N)nc1-c1ccc(Cl)s1 ZINC000077389418 181178673 /nfs/dbraw/zinc/17/86/73/181178673.db2.gz RLQRTKOSKFLCBQ-UHFFFAOYSA-N 0 0 241.728 2.979 10 30 BFEERN N=CNc1nc(-c2ccccn2)cc2ccccc21 ZINC000013781344 181183974 /nfs/dbraw/zinc/18/39/74/181183974.db2.gz RPFFLRYCJWUOBP-UHFFFAOYSA-N 0 0 248.289 2.915 10 30 BFEERN NN=C(Nc1ccccc1)c1cc(F)cc(F)c1 ZINC000042038242 181184121 /nfs/dbraw/zinc/18/41/21/181184121.db2.gz RRXNAOMLRIQIEG-UHFFFAOYSA-N 0 0 247.248 2.697 10 30 BFEERN N/C(CCOc1ccc(Cl)c(Cl)c1)=N\O ZINC000038001466 181182652 /nfs/dbraw/zinc/18/26/52/181182652.db2.gz UDTSTQMQBOZNTG-UHFFFAOYSA-N 0 0 249.097 2.509 10 30 BFEERN COc1ccc([C@@H](C#N)C(C)=O)c(C)c1C ZINC000084484055 355375093 /nfs/dbraw/zinc/37/50/93/355375093.db2.gz YNWLQRPCEKWLLE-LBPRGKRZSA-N 0 0 217.268 2.508 10 30 BFEERN N#CCCN1CCCC[C@H]1c1nccs1 ZINC000299673219 191648933 /nfs/dbraw/zinc/64/89/33/191648933.db2.gz PHZANKKSMDJWCA-JTQLQIEISA-N 0 0 221.329 2.584 10 30 BFEERN CC[C@@H]1CCCCCN1C1=CC(=O)CC1 ZINC000160268937 355773659 /nfs/dbraw/zinc/77/36/59/355773659.db2.gz QXAGAGZWRZGQEY-LLVKDONJSA-N 0 0 207.317 2.888 10 30 BFEERN C=CC(=O)c1cc2c(s1)CCSC2 ZINC000167364969 355985681 /nfs/dbraw/zinc/98/56/81/355985681.db2.gz VUPQHXZTQAQFHN-UHFFFAOYSA-N 0 0 210.323 2.906 10 30 BFEERN N#CC1(C(=O)N[C@H]2CCC23CCCC3)CCCC1 ZINC000336122964 134092073 /nfs/dbraw/zinc/09/20/73/134092073.db2.gz WJRGBFOCHGNGNN-LBPRGKRZSA-N 0 0 246.354 2.909 10 30 BFEERN CC(C)(C(=O)N[C@@H]1CCC[C@H]1C#N)C1CCC1 ZINC000322457781 363531771 /nfs/dbraw/zinc/53/17/71/363531771.db2.gz IBUGYVILWYFUAQ-CMPLNLGQSA-N 0 0 234.343 2.621 10 30 BFEERN CC(C)(C(=O)N[C@H]1CCC[C@@H]1C#N)C1CCC1 ZINC000322457785 363531806 /nfs/dbraw/zinc/53/18/06/363531806.db2.gz IBUGYVILWYFUAQ-PWSUYJOCSA-N 0 0 234.343 2.621 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)NC1CCCCCC1 ZINC000336620910 134151864 /nfs/dbraw/zinc/15/18/64/134151864.db2.gz UKVUITTWOHKVSM-AAEUAGOBSA-N 0 0 249.358 2.701 10 30 BFEERN CCc1ccsc1CNc1nccnc1C#N ZINC000088290537 356659346 /nfs/dbraw/zinc/65/93/46/356659346.db2.gz QBLODPZIFMFCTD-UHFFFAOYSA-N 0 0 244.323 2.584 10 30 BFEERN Cc1ccc(-c2cnn3cccnc23)cc1C#N ZINC000675072464 538503589 /nfs/dbraw/zinc/50/35/89/538503589.db2.gz HHVGNYMEASBHNX-UHFFFAOYSA-N 0 0 234.262 2.576 10 30 BFEERN N#Cc1cnc2cc(Cl)c(Cl)cn12 ZINC000675072734 538504417 /nfs/dbraw/zinc/50/44/17/538504417.db2.gz GVBDGPSQDSECML-UHFFFAOYSA-N 0 0 212.039 2.513 10 30 BFEERN CC(C)(C)OC(=O)C#Cc1ccc(F)c(F)c1 ZINC000675079749 538518469 /nfs/dbraw/zinc/51/84/69/538518469.db2.gz XAXIZEJVKQSICE-UHFFFAOYSA-N 0 0 238.233 2.658 10 30 BFEERN C=CCNc1nc2ccc(O)cc2s1 ZINC000034359884 134161380 /nfs/dbraw/zinc/16/13/80/134161380.db2.gz YGOMRONHEQHLKM-UHFFFAOYSA-N 0 0 206.270 2.600 10 30 BFEERN CCOC(=O)[C@@H]1O[C@]1(CC)C[C@H](C)CC ZINC000084324716 538530907 /nfs/dbraw/zinc/53/09/07/538530907.db2.gz OSHVBIZRLZFXBK-JFGNBEQYSA-N 0 0 214.305 2.533 10 30 BFEERN CCOC(=O)[C@@H]1O[C@]1(CC)C[C@@H](C)CC ZINC000084324718 538531095 /nfs/dbraw/zinc/53/10/95/538531095.db2.gz OSHVBIZRLZFXBK-JBLDHEPKSA-N 0 0 214.305 2.533 10 30 BFEERN CCCCCC[C@]1(C)O[C@]1(C)C(=O)OC ZINC000085657948 538544718 /nfs/dbraw/zinc/54/47/18/538544718.db2.gz KBTUPMSCKUVXGS-NWDGAFQWSA-N 0 0 214.305 2.677 10 30 BFEERN O=CCCSc1cc2ccccc2[nH]1 ZINC000087115579 538563837 /nfs/dbraw/zinc/56/38/37/538563837.db2.gz LFSZOCZOBLVPDM-UHFFFAOYSA-N 0 0 205.282 2.849 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@@]12CCCC[C@@H]2C ZINC000220853589 538547536 /nfs/dbraw/zinc/54/75/36/538547536.db2.gz GBCGNDKJFJNHCA-UHTWSYAYSA-N 0 0 226.316 2.533 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@@]12CCC[C@@H](C)C2 ZINC000220852771 538547777 /nfs/dbraw/zinc/54/77/77/538547777.db2.gz IPVRIONGKHXBJM-RTXFEEFZSA-N 0 0 226.316 2.533 10 30 BFEERN COC(=O)[C@@]1(C(C)C)O[C@]1(C)C1CCCC1 ZINC000086182568 538550754 /nfs/dbraw/zinc/55/07/54/538550754.db2.gz SINGXAVGOYZENC-CHWSQXEVSA-N 0 0 226.316 2.533 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@@]12CCC(C)(C)C2 ZINC000087770711 538569526 /nfs/dbraw/zinc/56/95/26/538569526.db2.gz PBDIIRGDFCRJND-OLZOCXBDSA-N 0 0 226.316 2.533 10 30 BFEERN CCC[C@@]1(C2CCCC2)O[C@@H]1C(=O)OCC ZINC000313410524 538579255 /nfs/dbraw/zinc/57/92/55/538579255.db2.gz FEULAUZFMQQUKA-YPMHNXCESA-N 0 0 226.316 2.677 10 30 BFEERN CCC[C@]1(C2CCCC2)O[C@H]1C(=O)OCC ZINC000313410523 538579508 /nfs/dbraw/zinc/57/95/08/538579508.db2.gz FEULAUZFMQQUKA-WCQYABFASA-N 0 0 226.316 2.677 10 30 BFEERN C=C(C)[C@H](NN)c1ccccc1Br ZINC000168283634 356713867 /nfs/dbraw/zinc/71/38/67/356713867.db2.gz IEHQYKWZWCWXOI-JTQLQIEISA-N 0 0 241.132 2.530 10 30 BFEERN CCO/C=C/C(=O)c1cc(F)cc(F)c1 ZINC000087282839 538565523 /nfs/dbraw/zinc/56/55/23/538565523.db2.gz HCEVJUSXEKTLHN-ONEGZZNKSA-N 0 0 212.195 2.698 10 30 BFEERN O=[N+]([O-])c1ccccc1N=NC1C[C@@H]2CC=C[C@@H]12 ZINC000035418431 357232680 /nfs/dbraw/zinc/23/26/80/357232680.db2.gz MQGJLLGDRSSQQU-ASYFJWBASA-N 0 0 243.266 2.959 10 30 BFEERN Cc1cc(Br)nc(Cl)c1C#N ZINC000168843083 357254255 /nfs/dbraw/zinc/25/42/55/357254255.db2.gz JNGGSPALBNEMQL-UHFFFAOYSA-N 0 0 231.480 2.678 10 30 BFEERN C=CCCNc1nc(Br)cs1 ZINC000168874430 357513725 /nfs/dbraw/zinc/51/37/25/357513725.db2.gz BDQHEVIQHHMIQL-UHFFFAOYSA-N 0 0 233.134 2.894 10 30 BFEERN Cc1ccc(F)cc1CN[C@H]1CCC[C@@H]1C#N ZINC000230686604 357549862 /nfs/dbraw/zinc/54/98/62/357549862.db2.gz RHTZZHVGYPYKOK-RISCZKNCSA-N 0 0 232.302 2.916 10 30 BFEERN CC#CCN[C@@H](C)c1cc(F)ccc1F ZINC000160568063 538885425 /nfs/dbraw/zinc/88/54/25/538885425.db2.gz XTCOMZLLCWWETN-VIFPVBQESA-N 0 0 209.239 2.639 10 30 BFEERN N#C[C@H](c1ccccc1)c1ncccc1[N+](=O)[O-] ZINC000034082543 357884811 /nfs/dbraw/zinc/88/48/11/357884811.db2.gz XITXIVLRHHJDDG-LLVKDONJSA-N 0 0 239.234 2.645 10 30 BFEERN Cc1cc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(C)s1 ZINC000610495624 357956231 /nfs/dbraw/zinc/95/62/31/357956231.db2.gz BWKCPYCQCULURJ-CMPLNLGQSA-N 0 0 248.351 2.787 10 30 BFEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(C)s1 ZINC000610495637 357956411 /nfs/dbraw/zinc/95/64/11/357956411.db2.gz BWKCPYCQCULURJ-ZYHUDNBSSA-N 0 0 248.351 2.787 10 30 BFEERN CC(N=O)=NN=c1[nH]c2ccccc2s1 ZINC000137798607 357999029 /nfs/dbraw/zinc/99/90/29/357999029.db2.gz ZFSFHAGITKKLTE-WDZFZDKYSA-N 0 0 220.257 2.808 10 30 BFEERN CCC/C(=N/OC(C)=O)c1ccccc1 ZINC000584650873 358129202 /nfs/dbraw/zinc/12/92/02/358129202.db2.gz CTSIPOJKFWSMPJ-SEYXRHQNSA-N 0 0 205.257 2.754 10 30 BFEERN C#CCOc1ccccc1OC(F)(F)F ZINC000039325856 358222113 /nfs/dbraw/zinc/22/21/13/358222113.db2.gz JBMFOIJUUCYUGF-UHFFFAOYSA-N 0 0 216.158 2.597 10 30 BFEERN N#CC1(N2CCC(F)(F)CC2)CCCCC1 ZINC000584613392 358277347 /nfs/dbraw/zinc/27/73/47/358277347.db2.gz NVKLDJBQPOBTMA-UHFFFAOYSA-N 0 0 228.286 2.944 10 30 BFEERN O[C@@H](CCCS)c1ccc(F)cc1 ZINC000584613362 358277425 /nfs/dbraw/zinc/27/74/25/358277425.db2.gz FULSZWLMQJHWQH-JTQLQIEISA-N 0 0 200.278 2.569 10 30 BFEERN O[C@H](C#CC1CC1)c1ccc(Cl)cc1 ZINC000584613367 358277762 /nfs/dbraw/zinc/27/77/62/358277762.db2.gz LUYGIIYLIDZSPV-GFCCVEGCSA-N 0 0 206.672 2.787 10 30 BFEERN C[C@](O)(C#CC1(O)CCCCC1)c1ccccc1 ZINC000584595946 358254036 /nfs/dbraw/zinc/25/40/36/358254036.db2.gz CPRKHGGXCFRZGC-HNNXBMFYSA-N 0 0 244.334 2.593 10 30 BFEERN C#C[C@@](OC)(c1ccccc1)C1(C#N)CCC1 ZINC000584600400 358257091 /nfs/dbraw/zinc/25/70/91/358257091.db2.gz KSCXQWWXXWSEGK-OAHLLOKOSA-N 0 0 225.291 2.855 10 30 BFEERN CC[C@@H](CCc1ccccc1)N=C(C)NC#N ZINC000584601638 358258580 /nfs/dbraw/zinc/25/85/80/358258580.db2.gz GNEUURKJNVBHBJ-AWEZNQCLSA-N 0 0 229.327 2.887 10 30 BFEERN CC(=NC#N)N[C@@H](C)c1cc2ccccc2o1 ZINC000584601955 358259357 /nfs/dbraw/zinc/25/93/57/358259357.db2.gz VEWPHHJYVKLJOL-VIFPVBQESA-N 0 0 227.267 2.983 10 30 BFEERN CC(=NC#N)N[C@H](C)c1cc2ccccc2o1 ZINC000584601951 358259425 /nfs/dbraw/zinc/25/94/25/358259425.db2.gz VEWPHHJYVKLJOL-SECBINFHSA-N 0 0 227.267 2.983 10 30 BFEERN C#C[C@@](OC)(c1cccc(C)c1)C1(C#N)CC1 ZINC000584603302 358261816 /nfs/dbraw/zinc/26/18/16/358261816.db2.gz QQENBYGUDZTUJE-OAHLLOKOSA-N 0 0 225.291 2.774 10 30 BFEERN CC(=O)N1c2ccc(Cl)cc2C[C@H]1CC#N ZINC000584607545 358268026 /nfs/dbraw/zinc/26/80/26/358268026.db2.gz NYMNLKVQADIBSJ-LLVKDONJSA-N 0 0 234.686 2.531 10 30 BFEERN CO/N=C(\C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000584609257 358270429 /nfs/dbraw/zinc/27/04/29/358270429.db2.gz DDCAVNMTKCJPGP-IZZDOVSWSA-N 0 0 228.635 2.619 10 30 BFEERN Cc1nc(Cl)c2cc(CC=O)[nH]c2c1C ZINC000584620046 358286844 /nfs/dbraw/zinc/28/68/44/358286844.db2.gz KCESXGKYYCXQEU-UHFFFAOYSA-N 0 0 222.675 2.575 10 30 BFEERN COC(=O)N1CC/C(=N/c2ccccc2)[C@@H](C)C1 ZINC000584620911 358288037 /nfs/dbraw/zinc/28/80/37/358288037.db2.gz QLOLEXMGMVDQJB-YLCNQMKUSA-N 0 0 246.310 2.867 10 30 BFEERN Fc1ccc(C#CBr)cc1F ZINC000584621415 358288846 /nfs/dbraw/zinc/28/88/46/358288846.db2.gz DUJYIIQSTNTZGJ-UHFFFAOYSA-N 0 0 217.012 2.669 10 30 BFEERN O=C1C=C2CC[C@H]([C@@H]3CCC[C@H]3O)C[C@@H]2CC1 ZINC000584622831 358290884 /nfs/dbraw/zinc/29/08/84/358290884.db2.gz NDBGXAGSCJKZCP-HQRZJTNHSA-N 0 0 234.339 2.853 10 30 BFEERN COc1cc([C@H](C)/C(C)=N/O)c(OC)cc1C ZINC000584624369 358292454 /nfs/dbraw/zinc/29/24/54/358292454.db2.gz BGLRYQHBPQPJKU-QFPXSISXSA-N 0 0 237.299 2.966 10 30 BFEERN C=C1CN(Cc2ccccc2C(F)(F)F)C1=O ZINC000584631549 358313450 /nfs/dbraw/zinc/31/34/50/358313450.db2.gz MQOFBZIAZAHLFK-UHFFFAOYSA-N 0 0 241.212 2.604 10 30 BFEERN N#CCc1cccc2c(N)n(-c3ccccc3)nc21 ZINC000584626729 358296305 /nfs/dbraw/zinc/29/63/05/358296305.db2.gz YGAXZUGZTQZCTQ-UHFFFAOYSA-N 0 0 248.289 2.674 10 30 BFEERN CCO[C@@H](C#Cc1ccsc1)OC(C)C ZINC000584629926 358298979 /nfs/dbraw/zinc/29/89/79/358298979.db2.gz RRXQNCKBGGQGCH-GFCCVEGCSA-N 0 0 224.325 2.887 10 30 BFEERN CC(C)/N=C/[C@@](O)(c1ccccc1)C(F)(F)F ZINC000584630865 358301870 /nfs/dbraw/zinc/30/18/70/358301870.db2.gz XZJILQJUIUZCKX-FNQVVVRFSA-N 0 0 245.244 2.916 10 30 BFEERN CCCCC1(c2ccccc2)CN(CC#N)C1 ZINC000584616642 358281498 /nfs/dbraw/zinc/28/14/98/358281498.db2.gz PHJXKAPNPZUCJS-UHFFFAOYSA-N 0 0 228.339 2.954 10 30 BFEERN O=C1c2cc3c(cc2CCC/C1=N\O)CCCC3 ZINC000584617277 358282372 /nfs/dbraw/zinc/28/23/72/358282372.db2.gz HXHMWJLNHZUWHI-JQIJEIRASA-N 0 0 243.306 2.915 10 30 BFEERN C#C[C@@](C)(CCC[C@@](C)(CC)OC)OC(C)=O ZINC000584647165 358331549 /nfs/dbraw/zinc/33/15/49/358331549.db2.gz KOMZAPCYHLWBHD-KGLIPLIRSA-N 0 0 240.343 2.927 10 30 BFEERN C=C[C@H](C)SC(=O)N(C)c1ccccn1 ZINC000584646809 358331765 /nfs/dbraw/zinc/33/17/65/358331765.db2.gz MDQBSVAZRXSNDW-VIFPVBQESA-N 0 0 222.313 2.946 10 30 BFEERN CCC(C)(C)[C@H]1CC[C@@H](OS(C)(=O)=O)CC1 ZINC000584647068 358331782 /nfs/dbraw/zinc/33/17/82/358331782.db2.gz XLPUOHRXOHOSDF-PHIMTYICSA-N 0 0 248.388 2.958 10 30 BFEERN C#C[C@@](C)(O)CCC[C@@](C)(CCC)OC ZINC000584647340 358331950 /nfs/dbraw/zinc/33/19/50/358331950.db2.gz OWRCHAAWYKXSAU-CHWSQXEVSA-N 0 0 212.333 2.746 10 30 BFEERN O=C[C@H]1c2ccccc2[C@H](C=O)c2ccccc21 ZINC000584640637 358326632 /nfs/dbraw/zinc/32/66/32/358326632.db2.gz KNHHFDCLCNKUBD-WKILWMFISA-N 0 0 236.270 2.662 10 30 BFEERN CC(C)N(CCC#N)C(=O)[C@@H]1CCC[C@H]1C ZINC000230170866 358394755 /nfs/dbraw/zinc/39/47/55/358394755.db2.gz LPIOZGOUFJPFPN-VXGBXAGGSA-N 0 0 222.332 2.573 10 30 BFEERN C[C@H](N[C@H]1CCCC[C@H]1C#N)c1ccccn1 ZINC000160849041 358964948 /nfs/dbraw/zinc/96/49/48/358964948.db2.gz LLGVQDZFVUJQTH-OBJOEFQTSA-N 0 0 229.327 2.815 10 30 BFEERN C=C[C@H](O)c1c(C)cccc1Br ZINC000306158555 358952387 /nfs/dbraw/zinc/95/23/87/358952387.db2.gz NQTXJEWLDKRZLK-VIFPVBQESA-N 0 0 227.101 2.977 10 30 BFEERN C[C@H](N[C@H]1CCCC[C@H]1C#N)c1cccnc1 ZINC000160913739 359020465 /nfs/dbraw/zinc/02/04/65/359020465.db2.gz NJGXTYKNLDCVRC-OBJOEFQTSA-N 0 0 229.327 2.815 10 30 BFEERN C[C@@]1(C=O)CC[C@H](c2ncc(Cl)s2)O1 ZINC000306179907 358990431 /nfs/dbraw/zinc/99/04/31/358990431.db2.gz IXOGGZATRPINOI-MUWHJKNJSA-N 0 0 231.704 2.606 10 30 BFEERN CC#CCCC(=O)c1ccc(F)c(F)c1 ZINC000160904413 359004124 /nfs/dbraw/zinc/00/41/24/359004124.db2.gz DFURRDMFNWWISD-UHFFFAOYSA-N 0 0 208.207 2.951 10 30 BFEERN Cc1ccsc1[C@@H]1CCC[C@H](C=O)O1 ZINC000306201085 359290651 /nfs/dbraw/zinc/29/06/51/359290651.db2.gz KHRYHYVRRFBLMV-ZJUUUORDSA-N 0 0 210.298 2.866 10 30 BFEERN O=C[C@H]1CC[C@@H](c2cc(Cl)ccc2F)O1 ZINC000306222555 359344237 /nfs/dbraw/zinc/34/42/37/359344237.db2.gz XGWJLOVOIABISO-KCJUWKMLSA-N 0 0 228.650 2.898 10 30 BFEERN O=C[C@@H]1CC[C@@H](c2cc(Cl)ccc2F)O1 ZINC000306222556 359344281 /nfs/dbraw/zinc/34/42/81/359344281.db2.gz XGWJLOVOIABISO-KWQFWETISA-N 0 0 228.650 2.898 10 30 BFEERN Cc1nc(OC(C)C)c(Cl)cc1C#N ZINC000306250816 359456745 /nfs/dbraw/zinc/45/67/45/359456745.db2.gz SMUANCYOHVBYHJ-UHFFFAOYSA-N 0 0 210.664 2.702 10 30 BFEERN CC#CCCC(=O)[C@@H]1SCCS[C@@H]1C ZINC000160954908 359556451 /nfs/dbraw/zinc/55/64/51/359556451.db2.gz CGQQGNDGXHLKGA-MWLCHTKSSA-N 0 0 228.382 2.596 10 30 BFEERN CC(C)N=Nc1cc(Br)ccn1 ZINC000306342343 359661796 /nfs/dbraw/zinc/66/17/96/359661796.db2.gz ZUDJFFFGRHFDFC-UHFFFAOYSA-N 0 0 228.093 2.652 10 30 BFEERN C#CC(C)(C)Nc1ncccc1Br ZINC000069682197 359768660 /nfs/dbraw/zinc/76/86/60/359768660.db2.gz SFNQBIOPSOPHOZ-UHFFFAOYSA-N 0 0 239.116 2.668 10 30 BFEERN CCOc1ccc2c(C#N)cn(CC)c2c1 ZINC000035882249 360016919 /nfs/dbraw/zinc/01/69/19/360016919.db2.gz ZZVYYUWJIIZYRD-UHFFFAOYSA-N 0 0 214.268 2.932 10 30 BFEERN C/C(=N\O)c1cc(C)ccc1Br ZINC000306455513 360045992 /nfs/dbraw/zinc/04/59/92/360045992.db2.gz PDJAXDAGOPMAGC-YRNVUSSQSA-N 0 0 228.089 2.956 10 30 BFEERN Cc1ccoc1-c1ncc(C#N)c(Cl)n1 ZINC000306461838 360072307 /nfs/dbraw/zinc/07/23/07/360072307.db2.gz GOHFZQURXLVYRW-UHFFFAOYSA-N 0 0 219.631 2.570 10 30 BFEERN C=C([C@H](O)[C@@]1(C)CCCS1)C(F)(F)F ZINC000306498622 360238031 /nfs/dbraw/zinc/23/80/31/360238031.db2.gz FUSJBOIEEUVVJM-JGVFFNPUSA-N 0 0 226.263 2.752 10 30 BFEERN C=C([C@H](O)c1nc(C)cs1)C(F)(F)F ZINC000306503361 360314684 /nfs/dbraw/zinc/31/46/84/360314684.db2.gz WDIVHMJDPHPCAD-LURJTMIESA-N 0 0 223.219 2.603 10 30 BFEERN CC(C)(C)C=C=CC(=O)c1cccnc1 ZINC000300781550 360502875 /nfs/dbraw/zinc/50/28/75/360502875.db2.gz RPGJDAZSTGJGSU-UHFFFAOYSA-N 0 0 201.269 2.704 10 30 BFEERN CC(=O)c1cc(C(F)(F)F)ccc1C#N ZINC000238129342 360597635 /nfs/dbraw/zinc/59/76/35/360597635.db2.gz OWFFMALDIIHSDR-UHFFFAOYSA-N 0 0 213.158 2.780 10 30 BFEERN O=C1C=CO[C@@]2(CCCc3sccc32)C1 ZINC000069852491 360722235 /nfs/dbraw/zinc/72/22/35/360722235.db2.gz LLFOMPGYZYDQAI-LBPRGKRZSA-N 0 0 220.293 2.783 10 30 BFEERN CCc1cc(C(=O)OC)cc(Cl)c1C#N ZINC000238314678 360860038 /nfs/dbraw/zinc/86/00/38/360860038.db2.gz NBRUVYHUTCKXCL-UHFFFAOYSA-N 0 0 223.659 2.561 10 30 BFEERN N#CCc1cc(Cl)cc(OC(F)(F)F)n1 ZINC000238529892 361140029 /nfs/dbraw/zinc/14/00/29/361140029.db2.gz JPRCAFIHDSVNRI-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN Cc1cccc(OC(F)(F)F)c1CC#N ZINC000238538236 361141767 /nfs/dbraw/zinc/14/17/67/361141767.db2.gz FEHOFUSHXJVVQN-UHFFFAOYSA-N 0 0 215.174 2.960 10 30 BFEERN N#Cc1ccc(Cl)nc1OC(F)(F)F ZINC000238546467 361147094 /nfs/dbraw/zinc/14/70/94/361147094.db2.gz SMBPBYSLCDRCEY-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN Cc1c(C#N)cccc1OC(F)(F)F ZINC000238548332 361147882 /nfs/dbraw/zinc/14/78/82/361147882.db2.gz LQIPKYPAIWNHHV-UHFFFAOYSA-N 0 0 201.147 2.765 10 30 BFEERN O[C@H]1CCCC[C@@H]1C#Cc1ccccc1 ZINC000036456305 361150117 /nfs/dbraw/zinc/15/01/17/361150117.db2.gz LRCKFGSKDQTZAQ-KGLIPLIRSA-N 0 0 200.281 2.589 10 30 BFEERN N#Cc1cnc(C(F)(F)F)c(Cl)c1 ZINC000238582025 361159929 /nfs/dbraw/zinc/15/99/29/361159929.db2.gz KGYKJFBUFJRVKW-UHFFFAOYSA-N 0 0 206.554 2.625 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)c1ccc(F)cc1 ZINC000041045663 361182430 /nfs/dbraw/zinc/18/24/30/361182430.db2.gz GYEOKRCNVNRWGO-LLVKDONJSA-N 0 0 205.232 2.804 10 30 BFEERN CC(C)[C@H](C#N)C(=O)c1ccccc1F ZINC000041045678 361182995 /nfs/dbraw/zinc/18/29/95/361182995.db2.gz SZIICWMSMFSCDI-JTQLQIEISA-N 0 0 205.232 2.804 10 30 BFEERN CC[C@H](C#N)Oc1cncc(Br)c1 ZINC000070043445 361383853 /nfs/dbraw/zinc/38/38/53/361383853.db2.gz RWKVTEBALCTORS-MRVPVSSYSA-N 0 0 241.088 2.525 10 30 BFEERN C=CCSc1ccccc1NC(C)=O ZINC000070224586 361480993 /nfs/dbraw/zinc/48/09/93/361480993.db2.gz OKFXYCUJHCBSFN-UHFFFAOYSA-N 0 0 207.298 2.923 10 30 BFEERN C#CCOc1ccc(C(C)=O)c(Cl)c1 ZINC000070603115 361591191 /nfs/dbraw/zinc/59/11/91/361591191.db2.gz NCIDRQFHOAYSEI-UHFFFAOYSA-N 0 0 208.644 2.555 10 30 BFEERN C=C=CC(=O)c1cc(Br)cs1 ZINC000070598617 361580785 /nfs/dbraw/zinc/58/07/85/361580785.db2.gz YNXHITRZXYXCDY-UHFFFAOYSA-N 0 0 229.098 2.717 10 30 BFEERN N#CCCSc1c(N)cccc1Cl ZINC000070601878 361586625 /nfs/dbraw/zinc/58/66/25/361586625.db2.gz GQBFAXDAZXJHGH-UHFFFAOYSA-N 0 0 212.705 2.928 10 30 BFEERN C[C@@H](C#N)CSc1ccc(Cl)cn1 ZINC000070614901 361629254 /nfs/dbraw/zinc/62/92/54/361629254.db2.gz GHDOMXZDFUYETI-ZETCQYMHSA-N 0 0 212.705 2.987 10 30 BFEERN C[C@H](C#N)Sc1ccc([C@H](C)O)cc1 ZINC000070621269 361649781 /nfs/dbraw/zinc/64/97/81/361649781.db2.gz SZKCBNGUJMCFJL-BDAKNGLRSA-N 0 0 207.298 2.744 10 30 BFEERN C[C@H](O)c1ccc(S[C@@H](C)C#N)cc1 ZINC000070621268 361650192 /nfs/dbraw/zinc/65/01/92/361650192.db2.gz SZKCBNGUJMCFJL-IUCAKERBSA-N 0 0 207.298 2.744 10 30 BFEERN CC(C)(C)c1ccc2[nH]c(=O)c(C#N)cc2c1 ZINC000011956438 541480795 /nfs/dbraw/zinc/48/07/95/541480795.db2.gz RMGLIWRGSYHGFM-UHFFFAOYSA-N 0 0 226.279 2.697 10 30 BFEERN CC(C)(C)c1cccc2cc(C#N)c(=O)[nH]c21 ZINC000011956432 541480962 /nfs/dbraw/zinc/48/09/62/541480962.db2.gz SQQISYZALAUMIP-UHFFFAOYSA-N 0 0 226.279 2.697 10 30 BFEERN CCC[C@@]1(CC)O[C@@]1(CC)C(=O)OCC ZINC000233317964 541508646 /nfs/dbraw/zinc/50/86/46/541508646.db2.gz MWKXXBCJYSZGCP-NEPJUHHUSA-N 0 0 214.305 2.677 10 30 BFEERN CCCCCC[C@@]1(C)O[C@]1(Cl)C(=O)OC ZINC000232953435 541508765 /nfs/dbraw/zinc/50/87/65/541508765.db2.gz SGXNNOARFSTBPK-GHMZBOCLSA-N 0 0 234.723 2.854 10 30 BFEERN C=C(Cl)CNN1[C@H](C)CCC[C@@H]1C ZINC000214979805 368072312 /nfs/dbraw/zinc/07/23/12/368072312.db2.gz OYXQOEWNOKTGON-AOOOYVTPSA-N 0 0 202.729 2.506 10 30 BFEERN CC#CCCSc1ccc(F)cc1N ZINC000161352437 368137839 /nfs/dbraw/zinc/13/78/39/368137839.db2.gz FIDZMLJRSOQKLD-UHFFFAOYSA-N 0 0 209.289 2.913 10 30 BFEERN CC(=O)c1ccc(C#N)cc1OC(C)C ZINC000161393192 368142040 /nfs/dbraw/zinc/14/20/40/368142040.db2.gz PAOHMORUQOEETK-UHFFFAOYSA-N 0 0 203.241 2.548 10 30 BFEERN CC[C@H](C)N(C)c1ccc(C#N)c(C#N)c1 ZINC000038218791 368324979 /nfs/dbraw/zinc/32/49/79/368324979.db2.gz WRWGQXJMACNLFN-JTQLQIEISA-N 0 0 213.284 2.665 10 30 BFEERN CC[C@@H](C)N(C)c1ccc(C#N)c(C#N)c1 ZINC000038218790 368325107 /nfs/dbraw/zinc/32/51/07/368325107.db2.gz WRWGQXJMACNLFN-SNVBAGLBSA-N 0 0 213.284 2.665 10 30 BFEERN Cc1cc2c(cc1C#N)C(C)(C)CCN2C ZINC000038974794 368328064 /nfs/dbraw/zinc/32/80/64/368328064.db2.gz PNOOMELGKXYMJH-UHFFFAOYSA-N 0 0 214.312 2.984 10 30 BFEERN C=C(C)c1cc(C#N)cc([N+](=O)[O-])c1OC ZINC000116966412 368342587 /nfs/dbraw/zinc/34/25/87/368342587.db2.gz LJYDFFMIPCFLNX-UHFFFAOYSA-N 0 0 218.212 2.508 10 30 BFEERN Clc1ccccc1/C=N/c1ncccn1 ZINC000032107487 368418281 /nfs/dbraw/zinc/41/82/81/368418281.db2.gz SJBBUPANGYTUSZ-OVCLIPMQSA-N 0 0 217.659 2.881 10 30 BFEERN C=C[C@@H](O)c1ccc(Br)cc1 ZINC000083813451 368822698 /nfs/dbraw/zinc/82/26/98/368822698.db2.gz DNFHNWHADKQZCE-SECBINFHSA-N 0 0 213.074 2.669 10 30 BFEERN C=CCOc1ccc(C=O)cc1OCC=C ZINC000004984657 368991568 /nfs/dbraw/zinc/99/15/68/368991568.db2.gz RMPBVHBECFKPDB-UHFFFAOYSA-N 0 0 218.252 2.629 10 30 BFEERN Cc1cccc(CN[C@@H]2CCCC[C@@H]2C#N)n1 ZINC000054829147 369102177 /nfs/dbraw/zinc/10/21/77/369102177.db2.gz KTFLPVHIOIQVLV-TZMCWYRMSA-N 0 0 229.327 2.562 10 30 BFEERN C#CCC(=O)Cc1ccccc1Br ZINC000055334899 369192820 /nfs/dbraw/zinc/19/28/20/369192820.db2.gz KKHMWYJJOJCINR-UHFFFAOYSA-N 0 0 237.096 2.584 10 30 BFEERN N#CC1(c2ccc(Cl)c(Cl)c2)CC(O)C1 ZINC000091472818 369414280 /nfs/dbraw/zinc/41/42/80/369414280.db2.gz LZYHPAQLGVSRMT-UHFFFAOYSA-N 0 0 242.105 2.909 10 30 BFEERN N#Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000250066874 369487625 /nfs/dbraw/zinc/48/76/25/369487625.db2.gz YJMNSYUDBKGBFX-ZSBIGDGJSA-N 0 0 226.279 2.543 10 30 BFEERN N#Cc1ccsc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250168449 369491583 /nfs/dbraw/zinc/49/15/83/369491583.db2.gz KPAQAENHPUOUTF-ILWJIGKKSA-N 0 0 232.308 2.604 10 30 BFEERN N#Cc1ccccc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250199567 369493555 /nfs/dbraw/zinc/49/35/55/369493555.db2.gz PXUCJEXJMIAUPE-ZSBIGDGJSA-N 0 0 226.279 2.543 10 30 BFEERN N#Cc1c(C2CCCC2)[nH]nc1C(F)(F)F ZINC000409441945 369978016 /nfs/dbraw/zinc/97/80/16/369978016.db2.gz VKHPQDIVDWBAPP-UHFFFAOYSA-N 0 0 229.205 2.958 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1cc(C#N)nc(CC)n1 ZINC000308173215 370107366 /nfs/dbraw/zinc/10/73/66/370107366.db2.gz XPCDTZPFFXTPRJ-GXSJLCMTSA-N 0 0 230.315 2.511 10 30 BFEERN CCC1CCC(Nc2cc(C#N)ncn2)CC1 ZINC000310099385 370298575 /nfs/dbraw/zinc/29/85/75/370298575.db2.gz WULZIQTWUHOZFT-UHFFFAOYSA-N 0 0 230.315 2.729 10 30 BFEERN Cc1nc(C)c(CN[C@@H]2CCCC[C@H]2C#N)s1 ZINC000310374032 370341643 /nfs/dbraw/zinc/34/16/43/370341643.db2.gz YTFSEAXFHAZURY-NWDGAFQWSA-N 0 0 249.383 2.932 10 30 BFEERN O=[N+]([O-])c1cccc(/C=[N+](\[O-])c2ccccc2)c1 ZINC000225414305 370580346 /nfs/dbraw/zinc/58/03/46/370580346.db2.gz ZFDZJGCYVBNYHO-UVTDQMKNSA-N 0 0 243.242 2.747 10 30 BFEERN CC[C@H]1CCCCN1c1ccc(N)c(C#N)c1 ZINC000131477157 371608912 /nfs/dbraw/zinc/60/89/12/371608912.db2.gz HQCUWBOYWCNQOD-LBPRGKRZSA-N 0 0 229.327 2.909 10 30 BFEERN C#C[C@H](CCC)Nc1ncccc1Cl ZINC000230003426 371632711 /nfs/dbraw/zinc/63/27/11/371632711.db2.gz ADFRLZPQTPQWFX-SECBINFHSA-N 0 0 208.692 2.949 10 30 BFEERN Cc1cc(O)c(CC#N)cc1Br ZINC000216411881 371752548 /nfs/dbraw/zinc/75/25/48/371752548.db2.gz VEDYCULMXSDWKQ-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN CN[C@@H](C#N)c1cc(Br)c(C)s1 ZINC000227888517 371955259 /nfs/dbraw/zinc/95/52/59/371955259.db2.gz DNEWBWAUEJTODO-ZETCQYMHSA-N 0 0 245.145 2.603 10 30 BFEERN C[C@@H]1C[C@](C#N)(NCc2ccccc2)[C@H]1C ZINC000306458118 372022606 /nfs/dbraw/zinc/02/26/06/372022606.db2.gz XSQUPIGOLXWERK-MBNYWOFBSA-N 0 0 214.312 2.714 10 30 BFEERN COC(=O)c1cc(Cl)cc(Cl)c1C#N ZINC000307266721 372106076 /nfs/dbraw/zinc/10/60/76/372106076.db2.gz HGUUDIRNMPJWPG-UHFFFAOYSA-N 0 0 230.050 2.652 10 30 BFEERN N#CCc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC000307271658 372106610 /nfs/dbraw/zinc/10/66/10/372106610.db2.gz RUCYVYPALOIQMZ-UHFFFAOYSA-N 0 0 231.038 2.968 10 30 BFEERN CC1(C(=O)N[C@@H]2CCC[C@H]2C#N)CCCCC1 ZINC000232228530 372117251 /nfs/dbraw/zinc/11/72/51/372117251.db2.gz JUOSLEOHESQUEV-NWDGAFQWSA-N 0 0 234.343 2.765 10 30 BFEERN N#CC1CC(Cc2ccc3c(c2)OCCO3)C1 ZINC000606302355 372091990 /nfs/dbraw/zinc/09/19/90/372091990.db2.gz LWGSQXAKNCQNKX-UHFFFAOYSA-N 0 0 229.279 2.550 10 30 BFEERN O=C(c1ccccc1)C1=CC[C@@](O)(Cl)C=C1 ZINC000083411043 181859264 /nfs/dbraw/zinc/85/92/64/181859264.db2.gz NMXYTAOBIVNSDM-CYBMUJFWSA-N 0 0 234.682 2.683 10 30 BFEERN C#CC[C@@H](C)Nc1nnc(Cl)c(C)c1C ZINC000229327020 372142625 /nfs/dbraw/zinc/14/26/25/372142625.db2.gz YQWPWBHEGIIKPT-SSDOTTSWSA-N 0 0 223.707 2.571 10 30 BFEERN CC(C)[C@@H](C)Nc1cc(N)c(C#N)s1 ZINC000232708290 372154592 /nfs/dbraw/zinc/15/45/92/372154592.db2.gz KHWRRVHHMCYJOZ-SSDOTTSWSA-N 0 0 209.318 2.658 10 30 BFEERN CCCCC[C@@H](O)C#Cc1ccccc1 ZINC000038251874 372527350 /nfs/dbraw/zinc/52/73/50/372527350.db2.gz JBJAJZJFCYUITH-CQSZACIVSA-N 0 0 202.297 2.979 10 30 BFEERN C#C[C@H](O)c1cccc(Cl)c1Cl ZINC000038301937 372531642 /nfs/dbraw/zinc/53/16/42/372531642.db2.gz ROULPGCJVPTNFJ-QMMMGPOBSA-N 0 0 201.052 2.660 10 30 BFEERN Fc1c(Cl)cccc1NC1=NCCC1 ZINC000068268006 372960695 /nfs/dbraw/zinc/96/06/95/372960695.db2.gz HIHWSJQZMNBSKQ-UHFFFAOYSA-N 0 0 212.655 2.893 10 30 BFEERN CC[C@H](C#N)Oc1cc(N)ccc1Cl ZINC000069635130 373562129 /nfs/dbraw/zinc/56/21/29/373562129.db2.gz HVCPYVISBXXSNN-MRVPVSSYSA-N 0 0 210.664 2.603 10 30 BFEERN O=C1C=CO[C@@H](c2cc(F)ccc2F)C1 ZINC000069850343 373877096 /nfs/dbraw/zinc/87/70/96/373877096.db2.gz PHAUCTUNKGMDGK-LLVKDONJSA-N 0 0 210.179 2.509 10 30 BFEERN N#C[C@H]1CCO[C@H]1c1cccc(Cl)c1 ZINC000070672135 374174744 /nfs/dbraw/zinc/17/47/44/374174744.db2.gz ZUHKMKNPGYZXHQ-KOLCDFICSA-N 0 0 207.660 2.941 10 30 BFEERN C=CCn1ccc2c1CC(C)(C)CC2=O ZINC000041706801 374178859 /nfs/dbraw/zinc/17/88/59/374178859.db2.gz SVZUPWOFVHDGFD-UHFFFAOYSA-N 0 0 203.285 2.829 10 30 BFEERN CCOC(=O)c1cc(Cl)c(C)c(C#N)c1 ZINC000143551678 374206549 /nfs/dbraw/zinc/20/65/49/374206549.db2.gz XGFJSULNXHAEQK-UHFFFAOYSA-N 0 0 223.659 2.697 10 30 BFEERN CCCCOC(=O)[C@H]1O[C@@]1(C)c1ccccc1 ZINC000032168631 168887375 /nfs/dbraw/zinc/88/73/75/168887375.db2.gz AWOJEIWMCLENLY-OCCSQVGLSA-N 0 0 234.295 2.644 10 30 BFEERN OCC#Cc1cc(F)ccc1OC1CCCCC1 ZINC000037544031 183032649 /nfs/dbraw/zinc/03/26/49/183032649.db2.gz DVPWQDHZMSLKJN-UHFFFAOYSA-N 0 0 248.297 2.881 10 30 BFEERN CCCCc1noc(-c2cccc(C#N)c2)n1 ZINC000225262090 169028782 /nfs/dbraw/zinc/02/87/82/169028782.db2.gz YSIYWZLOHJRPFU-UHFFFAOYSA-N 0 0 227.267 2.951 10 30 BFEERN CCCN(CC#N)C(=O)c1cc(F)ccc1C ZINC000058617395 169091718 /nfs/dbraw/zinc/09/17/18/169091718.db2.gz IEOKQRAGOPEFTO-UHFFFAOYSA-N 0 0 234.274 2.510 10 30 BFEERN CCCN(CC)c1nc(C)cc(C)c1C#N ZINC000040508930 169133707 /nfs/dbraw/zinc/13/37/07/169133707.db2.gz DLFQDHYIDFRZFV-UHFFFAOYSA-N 0 0 217.316 2.806 10 30 BFEERN CCCN[C@@H](C#N)c1ccc(SC)cc1 ZINC000034958891 169273496 /nfs/dbraw/zinc/27/34/96/169273496.db2.gz SAWWAYIUYJUKLK-LBPRGKRZSA-N 0 0 220.341 2.973 10 30 BFEERN CCCO/N=C\c1cc(C)c(O)c(C)c1 ZINC000039105625 169297480 /nfs/dbraw/zinc/29/74/80/169297480.db2.gz WVNDUKBTLLCJNV-JYRVWZFOSA-N 0 0 207.273 2.770 10 30 BFEERN CCC[C@@H](C#N)NC(=O)Nc1ccc(OC)cc1 ZINC000040220816 169342954 /nfs/dbraw/zinc/34/29/54/169342954.db2.gz HNADSXJXFCWAPK-NSHDSACASA-N 0 0 247.298 2.509 10 30 BFEERN CCC[C@@H](C#N)NC(=O)Nc1ccc(F)cc1 ZINC000040220764 169343319 /nfs/dbraw/zinc/34/33/19/169343319.db2.gz SPJYHXNVUVANJZ-NSHDSACASA-N 0 0 235.262 2.639 10 30 BFEERN CCC[C@@H](C)COc1ccccc1C#CCO ZINC000051322868 169361455 /nfs/dbraw/zinc/36/14/55/169361455.db2.gz XOKUKLHTMFBLRE-CYBMUJFWSA-N 0 0 232.323 2.845 10 30 BFEERN C=CC[C@H](C)NC(=O)N[C@H](C)c1ccc(C)o1 ZINC000116944092 383953160 /nfs/dbraw/zinc/95/31/60/383953160.db2.gz SVDNWZWBVLFHQI-GXSJLCMTSA-N 0 0 236.315 2.913 10 30 BFEERN Cc1ccc([C@@H](C)NCc2ccc(C#N)o2)o1 ZINC000135131396 384051897 /nfs/dbraw/zinc/05/18/97/384051897.db2.gz OHDTUEKSVZYJCG-SNVBAGLBSA-N 0 0 230.267 2.904 10 30 BFEERN N#CCc1cc(F)cc(C(F)(F)F)c1C#N ZINC000575650309 384036487 /nfs/dbraw/zinc/03/64/87/384036487.db2.gz WZIAUBQIGYXIEO-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN O=C1C=Cc2cc(Br)ccc21 ZINC000091301987 384114308 /nfs/dbraw/zinc/11/43/08/384114308.db2.gz GDISUFGKUMDDGG-UHFFFAOYSA-N 0 0 209.042 2.659 10 30 BFEERN CC(C)(C)c1ccc2c(c1)C/C(=N/O)C2=O ZINC000117338590 384172177 /nfs/dbraw/zinc/17/21/77/384172177.db2.gz HUNDNUDWZDAFTD-KAMYIIQDSA-N 0 0 217.268 2.553 10 30 BFEERN N#Cc1cnc(Cl)cc1NC1CCC1 ZINC000260236899 384173284 /nfs/dbraw/zinc/17/32/84/384173284.db2.gz PGMNUUDQBVWDQZ-UHFFFAOYSA-N 0 0 207.664 2.571 10 30 BFEERN Cc1cc(C#N)cc(N[C@H](C)C(C)C)n1 ZINC000157566603 384212623 /nfs/dbraw/zinc/21/26/23/384212623.db2.gz FKDJEWOSWDAGPE-SNVBAGLBSA-N 0 0 203.289 2.718 10 30 BFEERN CCOc1cccc(/C=N/[C@@H]2C[C@@H]2C)c1O ZINC000076008355 384351561 /nfs/dbraw/zinc/35/15/61/384351561.db2.gz BYGVDQSEUWSBDY-DPFKOWGQSA-N 0 0 219.284 2.618 10 30 BFEERN C[C@@H]1OCC[C@H]1Nc1ccc(Cl)cc1C#N ZINC000134558892 384351909 /nfs/dbraw/zinc/35/19/09/384351909.db2.gz DGDVEJPUPFLGAG-GZMMTYOYSA-N 0 0 236.702 2.801 10 30 BFEERN CO[C@]1(C(F)(F)F)C=CC=C[C@H]1CC#N ZINC000095080786 384358216 /nfs/dbraw/zinc/35/82/16/384358216.db2.gz JXQZTVJRBSOUNR-DTWKUNHWSA-N 0 0 217.190 2.590 10 30 BFEERN CC(C)(C)OC(=O)N1CCC[C@](C)(S)C1 ZINC000095084669 384361464 /nfs/dbraw/zinc/36/14/64/384361464.db2.gz DXJHUIWXPHDJNX-NSHDSACASA-N 0 0 231.361 2.706 10 30 BFEERN COc1cc(CC#N)c(OC(F)F)cc1F ZINC000575659096 384399289 /nfs/dbraw/zinc/39/92/89/384399289.db2.gz BFKUYJSAHYINFI-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN COc1c(F)ccc(OC(F)F)c1CC#N ZINC000575659090 384399505 /nfs/dbraw/zinc/39/95/05/384399505.db2.gz BDWQOWJXODHJAR-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN O/N=C/c1csc(COc2ccccc2)n1 ZINC000095883387 384404855 /nfs/dbraw/zinc/40/48/55/384404855.db2.gz FSVATIOOWRUXNH-WUXMJOGZSA-N 0 0 234.280 2.530 10 30 BFEERN CCc1c(OC(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575659597 384405912 /nfs/dbraw/zinc/40/59/12/384405912.db2.gz NSVQHGBAHPKICB-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN CCc1cc(C#N)cc([N+](=O)[O-])c1OC(F)F ZINC000575660119 384409006 /nfs/dbraw/zinc/40/90/06/384409006.db2.gz SMCKDNMMOITYQW-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN C=C1CC[C@H]2[C@](C)(O)CC[C@@H](C(C)C)[C@]2(O)C1 ZINC000014918650 384409506 /nfs/dbraw/zinc/40/95/06/384409506.db2.gz AHNGXHRYFGQWSL-BYNSBNAKSA-N 0 0 238.371 2.891 10 30 endogenous,in-man BFEERN Cc1cc(CC#N)c(F)cc1OC(F)F ZINC000575661984 384418095 /nfs/dbraw/zinc/41/80/95/384418095.db2.gz YFEHWWFPGSGZKY-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN CCOc1cc(F)c(OC(F)F)c(CC#N)c1 ZINC000575657271 384386601 /nfs/dbraw/zinc/38/66/01/384386601.db2.gz RQUNXCPAIMJKJG-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCC(C)N=Nc1cccc([N+](=O)[O-])c1 ZINC000005020019 384386869 /nfs/dbraw/zinc/38/68/69/384386869.db2.gz DTIBXGAQINKVBF-DHZHZOJOSA-N 0 0 207.233 2.793 10 30 BFEERN CCc1cc(OC(F)F)cc(CC#N)c1OC ZINC000575658112 384388899 /nfs/dbraw/zinc/38/88/99/384388899.db2.gz PXOQIFCRFBHZCB-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN N#CCc1c(Cl)cc(O)cc1Br ZINC000575677103 384486625 /nfs/dbraw/zinc/48/66/25/384486625.db2.gz YSUSJXAKWWZPHJ-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN CCOc1cc(CC)c(CC#N)cc1[N+](=O)[O-] ZINC000575696402 384671675 /nfs/dbraw/zinc/67/16/75/384671675.db2.gz NGMGAAHABVCDLX-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1cccnc1 ZINC000054825117 384818967 /nfs/dbraw/zinc/81/89/67/384818967.db2.gz NJGXTYKNLDCVRC-OUCADQQQSA-N 0 0 229.327 2.815 10 30 BFEERN COC(=O)[C@@H](C#N)c1ccc(Cl)c(Cl)c1 ZINC000049831612 384821868 /nfs/dbraw/zinc/82/18/68/384821868.db2.gz XURZHUOKWKYITK-ZETCQYMHSA-N 0 0 244.077 2.774 10 30 BFEERN COc1c(F)c(OC(F)(F)F)ccc1CC#N ZINC000575707486 384802706 /nfs/dbraw/zinc/80/27/06/384802706.db2.gz ATTOPYFTQDQGSZ-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN CCn1ccc(-c2cccc(C#N)c2)c1C=O ZINC000536960163 384807410 /nfs/dbraw/zinc/80/74/10/384807410.db2.gz XRPUUQJCYBRIJF-UHFFFAOYSA-N 0 0 224.263 2.859 10 30 BFEERN CCn1cc(C#N)c(=O)c2cc(C)cc(C)c21 ZINC000072236958 384841035 /nfs/dbraw/zinc/84/10/35/384841035.db2.gz AILPUDWTRHIWDW-UHFFFAOYSA-N 0 0 226.279 2.510 10 30 BFEERN Cc1cc(N[C@@H]2CCCSC2)c(C#N)c(C)n1 ZINC000158084640 384849432 /nfs/dbraw/zinc/84/94/32/384849432.db2.gz KYGFXUXUGXSLKW-LLVKDONJSA-N 0 0 247.367 2.878 10 30 BFEERN N#CCc1cc(Cl)cc(N)c1Br ZINC000575714911 384866562 /nfs/dbraw/zinc/86/65/62/384866562.db2.gz VPXACAULLSXJLX-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN Cc1ccc(CN(C)CC2(C#N)CCC2)o1 ZINC000258954008 384954564 /nfs/dbraw/zinc/95/45/64/384954564.db2.gz RCMHALLIRIJITC-UHFFFAOYSA-N 0 0 218.300 2.714 10 30 BFEERN CC1CC(C(=O)Nc2ccccc2C#N)C1 ZINC000084770564 384896974 /nfs/dbraw/zinc/89/69/74/384896974.db2.gz JBUYKVGXSSDUEM-UHFFFAOYSA-N 0 0 214.268 2.543 10 30 BFEERN CO[C@@H](C#N)c1ccc(Br)cc1 ZINC000085091170 384916215 /nfs/dbraw/zinc/91/62/15/384916215.db2.gz CZQYQMKOEJRUAQ-VIFPVBQESA-N 0 0 226.073 2.660 10 30 BFEERN CC[C@H]1C[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000227014134 385083869 /nfs/dbraw/zinc/08/38/69/385083869.db2.gz IAGLGPZCIXMQHJ-ONGXEEELSA-N 0 0 231.255 2.677 10 30 BFEERN Cc1nc(-c2ccccc2)nc(Cl)c1C#N ZINC000085221395 385059658 /nfs/dbraw/zinc/05/96/58/385059658.db2.gz YBEJLHAOCDKZIF-UHFFFAOYSA-N 0 0 229.670 2.977 10 30 BFEERN O=CCCc1cc(F)ccc1Br ZINC000060710363 385094956 /nfs/dbraw/zinc/09/49/56/385094956.db2.gz BOQNVVTZZBQXEQ-UHFFFAOYSA-N 0 0 231.064 2.720 10 30 BFEERN N#Cc1ccc([C@H](O)c2cnccc2Cl)cc1 ZINC000584599183 385466266 /nfs/dbraw/zinc/46/62/66/385466266.db2.gz RBBRNHHXNZRABI-ZDUSSCGKSA-N 0 0 244.681 2.688 10 30 BFEERN COc1c(F)cc(C(F)F)cc1C#N ZINC000258192906 385554235 /nfs/dbraw/zinc/55/42/35/385554235.db2.gz RTXMHSJZBFRRDD-UHFFFAOYSA-N 0 0 201.147 2.644 10 30 BFEERN Cc1ccccc1[C@H](C)NC(=O)NC[C@@H](C)C#N ZINC000182293017 385602597 /nfs/dbraw/zinc/60/25/97/385602597.db2.gz ZEYCFZFMDWWMKP-JQWIXIFHSA-N 0 0 245.326 2.515 10 30 BFEERN N#Cc1ccc(C(F)(F)F)nc1C(F)(F)F ZINC000259557225 385582562 /nfs/dbraw/zinc/58/25/62/385582562.db2.gz HXGVUMGNTKZBDE-UHFFFAOYSA-N 0 0 240.106 2.991 10 30 BFEERN N#CCN[C@@H]1CCC[C@@H]1c1ccc(F)cc1 ZINC000309519942 385657830 /nfs/dbraw/zinc/65/78/30/385657830.db2.gz BCUMVZVYKDRFFX-CHWSQXEVSA-N 0 0 218.275 2.575 10 30 BFEERN COn1c2cc(C#N)ccc2nc1-c1ccccc1 ZINC000253567170 385684118 /nfs/dbraw/zinc/68/41/18/385684118.db2.gz JURPFERCPLPCJN-UHFFFAOYSA-N 0 0 249.273 2.633 10 30 BFEERN CO[C@H]1CC[C@@H](Nc2cc(C)nc(C)c2C#N)C1 ZINC000231682103 385823069 /nfs/dbraw/zinc/82/30/69/385823069.db2.gz BKADPPVLXZFVNJ-NEPJUHHUSA-N 0 0 245.326 2.550 10 30 BFEERN N#C[C@@H](O[C@H]1CCCCO1)c1ccccc1 ZINC000038293532 385918024 /nfs/dbraw/zinc/91/80/24/385918024.db2.gz MVSFLKZTEIXNEN-OLZOCXBDSA-N 0 0 217.268 2.794 10 30 BFEERN N#C[C@@]1(c2ccccc2F)CCCC(=O)C1 ZINC000261508590 386029067 /nfs/dbraw/zinc/02/90/67/386029067.db2.gz UZSJYUVAIXKZQK-CYBMUJFWSA-N 0 0 217.243 2.730 10 30 BFEERN C/C=C/C(=O)c1ccoc1Br ZINC000575580191 386225292 /nfs/dbraw/zinc/22/52/92/386225292.db2.gz WJVFRELCFJZPNZ-NSCUHMNNSA-N 0 0 215.046 2.801 10 30 BFEERN N#Cc1ccccc1C(=O)C(F)(F)C(F)(F)F ZINC000575242978 386420529 /nfs/dbraw/zinc/42/05/29/386420529.db2.gz POUSXKGATIRCIJ-UHFFFAOYSA-N 0 0 249.138 2.939 10 30 BFEERN CC1(C)CC([C@@H]2C[C@H]2C=O)CC(C)(C)O1 ZINC000521401444 386459012 /nfs/dbraw/zinc/45/90/12/386459012.db2.gz YOCDZAFGWFJUHU-GXSJLCMTSA-N 0 0 210.317 2.805 10 30 BFEERN CCc1c(CC#N)ccc(C#N)c1OC(F)F ZINC000575639430 386561704 /nfs/dbraw/zinc/56/17/04/386561704.db2.gz HREMZAGSFOINTK-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN C=CCOCC(F)(F)[C@@H](F)C(F)(F)F ZINC000098210630 386683585 /nfs/dbraw/zinc/68/35/85/386683585.db2.gz QTTFAPJIPLUWAL-RXMQYKEDSA-N 0 0 222.128 2.725 10 30 BFEERN N#CCc1cc([N+](=O)[O-])ccc1OC(F)(F)F ZINC000575338348 386685682 /nfs/dbraw/zinc/68/56/82/386685682.db2.gz IFCFPVTYPXGMPM-UHFFFAOYSA-N 0 0 246.144 2.559 10 30 BFEERN CCOC(=O)c1cc(C(F)F)cc(C)c1C#N ZINC000575343546 386692010 /nfs/dbraw/zinc/69/20/10/386692010.db2.gz GYLFFAKPTDURCU-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN CCOC(=O)c1cc(CC)cc(C#N)c1CC ZINC000575385625 386945240 /nfs/dbraw/zinc/94/52/40/386945240.db2.gz VLNNEUYVBKZQKR-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)c1c(C#N)ccc(CC)c1CC ZINC000575385600 386945855 /nfs/dbraw/zinc/94/58/55/386945855.db2.gz OWSXCGAMOFPISG-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)Cc1cc(C#N)c(C)c(CC)c1 ZINC000575389047 386952779 /nfs/dbraw/zinc/95/27/79/386952779.db2.gz SSWLXGULKOAGQE-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOC(=O)Cc1ccc(C#N)c(C)c1CC ZINC000575388951 386952969 /nfs/dbraw/zinc/95/29/69/386952969.db2.gz MWOAYVKARKFYAW-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOC(=O)Cc1cc(C)cc(CC)c1C#N ZINC000575388899 386953422 /nfs/dbraw/zinc/95/34/22/386953422.db2.gz JCEOYVULZSHZMR-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOC(=O)Cc1cc(CC)cc(C)c1C#N ZINC000575389037 386953450 /nfs/dbraw/zinc/95/34/50/386953450.db2.gz SECQBJRPLWQSPW-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOC(=O)c1cc(F)cc(C(F)F)c1C#N ZINC000575389691 386954376 /nfs/dbraw/zinc/95/43/76/386954376.db2.gz JMQBMLNIBJOUBQ-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)c1cc(C(F)F)cc(F)c1C#N ZINC000575390002 386954799 /nfs/dbraw/zinc/95/47/99/386954799.db2.gz ZOMXACAMDVSOMR-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN COC(=O)c1ccc(F)c(C(F)(F)F)c1C#N ZINC000575390335 386956651 /nfs/dbraw/zinc/95/66/51/386956651.db2.gz AGRJOUHRCFXNIM-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN CCOC(=O)Cc1c(CC)ccc([S-])c1C#N ZINC000575387959 386958314 /nfs/dbraw/zinc/95/83/14/386958314.db2.gz AWUIKNQPFLXTEU-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN CCOC(=O)Cc1cc(CC)cc(C#N)c1[S-] ZINC000575388005 386958435 /nfs/dbraw/zinc/95/84/35/386958435.db2.gz KLLBNCSQRTYTFN-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN CCOC(=O)Cc1ccc(C#N)c(CC)c1[S-] ZINC000575387956 386959184 /nfs/dbraw/zinc/95/91/84/386959184.db2.gz AMYZGZGLANDFFT-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN COC(=O)c1cc(C#N)cc(C)c1C(F)(F)F ZINC000575395215 386996794 /nfs/dbraw/zinc/99/67/94/386996794.db2.gz SMFNRVASRAENAU-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1c(C#N)cc(C)cc1C(F)(F)F ZINC000575394750 386996806 /nfs/dbraw/zinc/99/68/06/386996806.db2.gz NJVMCHBLXUVXDA-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1c(C)c(C#N)ccc1C(F)(F)F ZINC000575394731 386998816 /nfs/dbraw/zinc/99/88/16/386998816.db2.gz MSPHLOPCBRDJHM-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COc1cc(C)c(Br)cc1/C=N/O ZINC000575421736 387030566 /nfs/dbraw/zinc/03/05/66/387030566.db2.gz DGYLGNMQFVHUID-VZUCSPMQSA-N 0 0 244.088 2.574 10 30 BFEERN CCOc1cc(F)cc(OC(F)F)c1C#N ZINC000575655638 387038967 /nfs/dbraw/zinc/03/89/67/387038967.db2.gz LKWYLNHKAURQCB-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1cc(C#N)c(C)c(OC(F)F)c1 ZINC000575655744 387040216 /nfs/dbraw/zinc/04/02/16/387040216.db2.gz ATFDSUVWHHGGNS-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1c(F)ccc(C#N)c1OC(F)F ZINC000575655819 387041016 /nfs/dbraw/zinc/04/10/16/387041016.db2.gz MXUQPMAAFUOACQ-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1c(F)c(OC(F)F)ccc1CC#N ZINC000575656742 387042120 /nfs/dbraw/zinc/04/21/20/387042120.db2.gz NDSJOTPESVJMEY-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCc1c(OC)cc(CC#N)cc1OC(F)F ZINC000575656474 387042546 /nfs/dbraw/zinc/04/25/46/387042546.db2.gz HBDYSAJIAMTJLP-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CC(=O)/C(C)=C/c1ccncc1Br ZINC000575578740 387044302 /nfs/dbraw/zinc/04/43/02/387044302.db2.gz DZSCAJIVUKOMDN-FNORWQNLSA-N 0 0 240.100 2.836 10 30 BFEERN CCOc1cc(OC(F)F)c(F)cc1C#N ZINC000575657606 387045678 /nfs/dbraw/zinc/04/56/78/387045678.db2.gz XVOFSVSLLCYJJS-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCc1ccc(C#N)c(OC(F)F)c1[N+](=O)[O-] ZINC000575658946 387047594 /nfs/dbraw/zinc/04/75/94/387047594.db2.gz JRZVKGXAAVEWRB-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN CCc1cc([N+](=O)[O-])c(OC(F)F)cc1C#N ZINC000575657914 387049181 /nfs/dbraw/zinc/04/91/81/387049181.db2.gz BNNUIBHSTYCFOP-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN COc1cc(F)c(OC(F)F)c(CC#N)c1 ZINC000575659129 387049722 /nfs/dbraw/zinc/04/97/22/387049722.db2.gz BTLRROIWBULRLM-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN Cc1cc(CC#N)c(F)c(OC(F)F)c1 ZINC000575660851 387054329 /nfs/dbraw/zinc/05/43/29/387054329.db2.gz AVAWXAOHDWQFRP-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN CCc1cc(OC(F)F)c([N+](=O)[O-])cc1C#N ZINC000575660496 387054545 /nfs/dbraw/zinc/05/45/45/387054545.db2.gz XBMXLGPKEYDQNJ-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN N#Cc1c(F)nccc1-c1cccc(F)c1 ZINC000575434285 387058287 /nfs/dbraw/zinc/05/82/87/387058287.db2.gz KSXQNUZDHZJPSI-UHFFFAOYSA-N 0 0 216.190 2.898 10 30 BFEERN Cc1cc(F)c(OC(F)F)cc1CC#N ZINC000575661340 387060256 /nfs/dbraw/zinc/06/02/56/387060256.db2.gz LYWFBFWWMUYNHG-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN C#Cc1cc(F)ccc1OCC(F)(F)F ZINC000575411061 387011593 /nfs/dbraw/zinc/01/15/93/387011593.db2.gz UJPSTWWWSKRRLP-UHFFFAOYSA-N 0 0 218.149 2.748 10 30 BFEERN CC(C)(C)OC(=O)N[C@]1(C#N)CCC[C@H]2C[C@H]21 ZINC000575468734 387087271 /nfs/dbraw/zinc/08/72/71/387087271.db2.gz WEEJCTRFEKCMJI-CWSCBRNRSA-N 0 0 236.315 2.593 10 30 BFEERN CCC[C@]1(C#N)COc2ccccc2O1 ZINC000225007653 387157395 /nfs/dbraw/zinc/15/73/95/387157395.db2.gz HGLGNWSEGSCQBB-LBPRGKRZSA-N 0 0 203.241 2.520 10 30 BFEERN CC#CCCC(=O)c1ccc(Cl)cc1N ZINC000160923953 387189741 /nfs/dbraw/zinc/18/97/41/387189741.db2.gz YCEFNKTUAAKZCI-UHFFFAOYSA-N 0 0 221.687 2.908 10 30 BFEERN C[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000424697319 387251182 /nfs/dbraw/zinc/25/11/82/387251182.db2.gz CYUDYNLFGFKQES-FVCCEPFGSA-N 0 0 234.343 2.621 10 30 BFEERN Cc1c([N+](=O)[O-])ccc(CC#N)c1OC(F)F ZINC000575665450 387313544 /nfs/dbraw/zinc/31/35/44/387313544.db2.gz DWIQIGICRKSPKY-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN COc1cc(CC#N)c(C)c(OC(F)F)c1 ZINC000575664066 387291505 /nfs/dbraw/zinc/29/15/05/387291505.db2.gz BAOSGVDDSWNNLG-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN N#CCc1cc(O)cc(Cl)c1Br ZINC000575675917 387358137 /nfs/dbraw/zinc/35/81/37/387358137.db2.gz NIKLTLSBGYJESB-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN Cc1cc([N+](=O)[O-])c(CC#N)c(C(F)(F)F)c1 ZINC000575675647 387358571 /nfs/dbraw/zinc/35/85/71/387358571.db2.gz WXEBQKLLRCPHBC-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN Cc1cc(C#N)nn1C[C@@H]1C[C@@H]1c1ccccc1 ZINC000575601464 387359313 /nfs/dbraw/zinc/35/93/13/387359313.db2.gz BAHZANVDLSTZCQ-DZGCQCFKSA-N 0 0 237.306 2.867 10 30 BFEERN Cc1cc(F)cc(Br)c1CC#N ZINC000575689634 387378005 /nfs/dbraw/zinc/37/80/05/387378005.db2.gz WRGTTXPPPRQDKZ-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN CCOc1c(CC#N)cc(O)cc1C(F)F ZINC000575667576 387321926 /nfs/dbraw/zinc/32/19/26/387321926.db2.gz QNXZWQCGEQSZQQ-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN Cc1cc([N+](=O)[O-])c(CC#N)cc1OC(F)F ZINC000575668930 387323518 /nfs/dbraw/zinc/32/35/18/387323518.db2.gz VZTGMRMSTHOTDL-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN N#CCNc1cc(Cl)cc(F)c1F ZINC000575497148 387326662 /nfs/dbraw/zinc/32/66/62/387326662.db2.gz WHBIMQOZGVCMMY-UHFFFAOYSA-N 0 0 202.591 2.554 10 30 BFEERN CCOc1cc(C#N)c(C(F)(F)F)cc1O ZINC000575669832 387331694 /nfs/dbraw/zinc/33/16/94/387331694.db2.gz AFSBXYMVMSSWTB-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN CCOc1cc(O)cc(C#N)c1C(F)(F)F ZINC000575670579 387335102 /nfs/dbraw/zinc/33/51/02/387335102.db2.gz NFVKEALSCQQZPA-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN COc1cc(C(F)(F)F)cc(C#N)c1OC ZINC000575671333 387336493 /nfs/dbraw/zinc/33/64/93/387336493.db2.gz IMZJKPWSFOXOOX-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN CCOc1cc(C(F)(F)F)cc(O)c1C#N ZINC000575671614 387336905 /nfs/dbraw/zinc/33/69/05/387336905.db2.gz ZMGQTTSNASDMDP-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN Cc1cc([N+](=O)[O-])cc(C#N)c1C(F)F ZINC000575672271 387338199 /nfs/dbraw/zinc/33/81/99/387338199.db2.gz WLDZXFOKFNTMCV-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN Cc1c(C(F)F)ccc(C#N)c1[N+](=O)[O-] ZINC000575671766 387338405 /nfs/dbraw/zinc/33/84/05/387338405.db2.gz MOPICTSUXOPCPO-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN Cc1cc(C#N)c([N+](=O)[O-])cc1C(F)F ZINC000575672203 387338535 /nfs/dbraw/zinc/33/85/35/387338535.db2.gz SPSSROOVPHUDIT-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN Cc1cc(C(F)(F)F)c([N+](=O)[O-])cc1CC#N ZINC000575673183 387339950 /nfs/dbraw/zinc/33/99/50/387339950.db2.gz DAWXQIOASYRLRD-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN CCc1cc(C#N)c(O)cc1C(F)(F)F ZINC000575672992 387340090 /nfs/dbraw/zinc/34/00/90/387340090.db2.gz XDOQZGNJOAMJFT-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN CC(=O)/C=C(/C)c1cncc(Br)c1 ZINC000575500525 387351989 /nfs/dbraw/zinc/35/19/89/387351989.db2.gz SPUWUHXLYXRJTM-CLTKARDFSA-N 0 0 240.100 2.836 10 30 BFEERN Cc1c(N)cc(CC#N)cc1C(F)(F)F ZINC000575719387 387426720 /nfs/dbraw/zinc/42/67/20/387426720.db2.gz BXNLRSLBFRAALY-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN C=C(C)[C@H](O)c1ccc(Br)cc1N ZINC000575517051 387426845 /nfs/dbraw/zinc/42/68/45/387426845.db2.gz HYVSVVPVVDNXIB-JTQLQIEISA-N 0 0 242.116 2.641 10 30 BFEERN CCOc1cc(C(F)(F)F)c(N)cc1CC#N ZINC000575718658 387427050 /nfs/dbraw/zinc/42/70/50/387427050.db2.gz WBDWUNIYAFNMPB-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN CCc1cc(C(F)(F)F)c(N)cc1CC#N ZINC000575718968 387428413 /nfs/dbraw/zinc/42/84/13/387428413.db2.gz SCGFNKYWZKEOBM-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN N#CCc1c(Cl)ccc(N)c1OC(F)F ZINC000575715179 387428771 /nfs/dbraw/zinc/42/87/71/387428771.db2.gz VJQXMAMYBPLHOW-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN N#CCc1cc(N)c(Cl)c(Cl)c1 ZINC000575716522 387433094 /nfs/dbraw/zinc/43/30/94/387433094.db2.gz RNXJXTBWOIDXMY-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN Cc1cc(C(F)(F)F)cc(CC#N)c1N ZINC000575719914 387440269 /nfs/dbraw/zinc/44/02/69/387440269.db2.gz OXZKFMIWNHMWRG-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN CCOc1cc(CC)c(F)cc1CC#N ZINC000575697438 387391280 /nfs/dbraw/zinc/39/12/80/387391280.db2.gz YBFKCKRHNJIVPB-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN CCOc1cc(F)cc(CC#N)c1CC ZINC000575697416 387391584 /nfs/dbraw/zinc/39/15/84/387391584.db2.gz XKAHBPIGEOJUSO-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN CCOc1cc(CC)c([N+](=O)[O-])cc1CC#N ZINC000575697560 387393247 /nfs/dbraw/zinc/39/32/47/387393247.db2.gz YWRABXNFEXRILO-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN N#CCc1cc(C(F)(F)F)c(F)cc1[N+](=O)[O-] ZINC000575711357 387415058 /nfs/dbraw/zinc/41/50/58/387415058.db2.gz SBWMRHXAOOTPDW-UHFFFAOYSA-N 0 0 248.135 2.819 10 30 BFEERN COC(=O)c1c(Cl)cc(C(F)F)cc1C#N ZINC000575712898 387417198 /nfs/dbraw/zinc/41/71/98/387417198.db2.gz NGTAZHFKDIVNAD-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN CCc1cc(N)c(Br)cc1CC#N ZINC000575713978 387418149 /nfs/dbraw/zinc/41/81/49/387418149.db2.gz HSELZZYALOWKPG-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN N#CCc1cc(OC(F)F)cc(Cl)c1N ZINC000575714243 387419480 /nfs/dbraw/zinc/41/94/80/387419480.db2.gz GCBYGGQAEKUSRK-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN N#Cc1ccc([C@@H](O)c2cnccc2Cl)cc1 ZINC000584599182 387501463 /nfs/dbraw/zinc/50/14/63/387501463.db2.gz RBBRNHHXNZRABI-CYBMUJFWSA-N 0 0 244.681 2.688 10 30 BFEERN C/C=C/C(=O)C1=C(C)C[C@H](O)CC1(C)C ZINC000005132732 387513532 /nfs/dbraw/zinc/51/35/32/387513532.db2.gz UPRXEFYRIACHQZ-PORFMDCZSA-N 0 0 208.301 2.629 10 30 endogenous,in-man BFEERN C=C(Cl)Cc1ccc(F)c(F)c1O ZINC000575570848 387736561 /nfs/dbraw/zinc/73/65/61/387736561.db2.gz ZMZVCCWQOZRVQO-UHFFFAOYSA-N 0 0 204.603 2.965 10 30 BFEERN CCOc1cccc(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000054825522 387828901 /nfs/dbraw/zinc/82/89/01/387828901.db2.gz JRGLZXMUDLOWKC-HIFRSBDPSA-N 0 0 244.338 2.867 10 30 BFEERN Cc1cc(OC(F)F)cc(C#N)c1CC#N ZINC000575640191 387837958 /nfs/dbraw/zinc/83/79/58/387837958.db2.gz GALWRYPOTOJUCM-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CCc1cc(C#N)c(OC(F)F)cc1CC#N ZINC000575640461 387839399 /nfs/dbraw/zinc/83/93/99/387839399.db2.gz OQSCAWZKFPDGBO-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN Cc1cc(CC#N)c(OC(F)F)cc1C#N ZINC000575640971 387840805 /nfs/dbraw/zinc/84/08/05/387840805.db2.gz KXZNYZHINQXVOY-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CCc1cc(CC#N)c(C#N)cc1OC(F)F ZINC000575641757 387844667 /nfs/dbraw/zinc/84/46/67/387844667.db2.gz YCFLOBPMQORZLQ-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN CCOc1cc(C#N)c(C(F)F)cc1CC#N ZINC000575641930 387846317 /nfs/dbraw/zinc/84/63/17/387846317.db2.gz QQVWILZYZPMASQ-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)c1ccccc1Cl ZINC000061888370 387848225 /nfs/dbraw/zinc/84/82/25/387848225.db2.gz YJFQKBFWTBNVTE-CABZTGNLSA-N 0 0 248.713 2.762 10 30 BFEERN Cc1cc(C#N)cc(CC#N)c1C(F)(F)F ZINC000575650694 387889746 /nfs/dbraw/zinc/88/97/46/387889746.db2.gz YVPUACOZVPYVBY-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN COc1ccc(C(F)(F)F)c(C#N)c1CC#N ZINC000575648346 387892596 /nfs/dbraw/zinc/89/25/96/387892596.db2.gz PJFQTZXGKSXQAE-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN Cc1ccc(C)c(OC(F)F)c1CC#N ZINC000575652934 387893213 /nfs/dbraw/zinc/89/32/13/387893213.db2.gz OCBPCRIAEDXDIH-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN CCc1cc(F)c(C#N)c(OC(F)F)c1 ZINC000575653290 387894695 /nfs/dbraw/zinc/89/46/95/387894695.db2.gz DQHZTQXHGJPTJZ-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1c(F)c(C#N)ccc1OC(F)F ZINC000575653361 387895668 /nfs/dbraw/zinc/89/56/68/387895668.db2.gz FTKGQTMQTIVBQM-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1c(O)cc(CC#N)cc1OC(F)F ZINC000575654128 387897108 /nfs/dbraw/zinc/89/71/08/387897108.db2.gz ABYKVOJGXXOCFU-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN C[C@H](C#N)N1CC=C(c2ccccc2)CC1 ZINC000194262999 387877164 /nfs/dbraw/zinc/87/71/64/387877164.db2.gz UIQWFUCILMRSJR-GFCCVEGCSA-N 0 0 212.296 2.688 10 30 BFEERN N#CCc1c(F)cc(C#N)cc1OC(F)(F)F ZINC000575646487 387882153 /nfs/dbraw/zinc/88/21/53/387882153.db2.gz IHZVKKBWMJBVMS-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN COc1cc(C#N)c(C(F)(F)F)c(CC#N)c1 ZINC000575647655 387884358 /nfs/dbraw/zinc/88/43/58/387884358.db2.gz LXRZZDJKRQPIDV-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN COc1c(C#N)ccc(CC#N)c1C(F)(F)F ZINC000575649212 387886962 /nfs/dbraw/zinc/88/69/62/387886962.db2.gz QLQTYJXLFSZBOX-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN C=CC[N@@H+]1CCC[C@@H](c2nccs2)C1 ZINC000195341294 387920092 /nfs/dbraw/zinc/92/00/92/387920092.db2.gz SVSDSNJAYRMWML-SNVBAGLBSA-N 0 0 208.330 2.509 10 30 BFEERN Cc1csc([C@H]2CCC[N@H+](CCCC#N)C2)n1 ZINC000195329329 387920260 /nfs/dbraw/zinc/92/02/60/387920260.db2.gz VXNRHRBGGCBRPB-LBPRGKRZSA-N 0 0 249.383 2.935 10 30 BFEERN C[C@H]1CCC[C@@H]1C(=O)NC1(C#N)CCCCC1 ZINC000230054279 388349275 /nfs/dbraw/zinc/34/92/75/388349275.db2.gz DKBNQKXNOMJGFX-RYUDHWBXSA-N 0 0 234.343 2.765 10 30 BFEERN CCCCC(C)=Nn1c(C)cc(C)c(C#N)c1=O ZINC000254749101 388356744 /nfs/dbraw/zinc/35/67/44/388356744.db2.gz LTANCHIIYRBXMM-UHFFFAOYSA-N 0 0 245.326 2.751 10 30 BFEERN N#CCNc1cccc(Br)c1F ZINC000575524344 388358773 /nfs/dbraw/zinc/35/87/73/388358773.db2.gz SXSBMRXHGRCPLZ-UHFFFAOYSA-N 0 0 229.052 2.524 10 30 BFEERN CC#C[C@H](O)c1ccc(Br)c(F)c1 ZINC000306716863 388386905 /nfs/dbraw/zinc/38/69/05/388386905.db2.gz UFQGWLQILRMDJG-JTQLQIEISA-N 0 0 243.075 2.645 10 30 BFEERN C[C@@H]1OCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000134381543 388398387 /nfs/dbraw/zinc/39/83/87/388398387.db2.gz XCRYDOYIRDPZSY-UFBFGSQYSA-N 0 0 236.702 2.801 10 30 BFEERN CCOC(=O)Cc1c(C)c(CC)ccc1C#N ZINC000575389103 388476995 /nfs/dbraw/zinc/47/69/95/388476995.db2.gz XUVCVFAOALTIDE-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN C#CCN(C(=O)[C@@H]1CCC[C@@H]1C)C1CCCC1 ZINC000490934097 256786735 /nfs/dbraw/zinc/78/67/35/256786735.db2.gz HJQUEGDHFQKXCD-GXTWGEPZSA-N 0 0 233.355 2.827 10 30 BFEERN CCOC(=O)c1cc(C(F)F)cc(C#N)c1F ZINC000575389386 388486298 /nfs/dbraw/zinc/48/62/98/388486298.db2.gz FEJBTUAZGRYCCO-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCCc1noc(-c2ccc(C#N)cc2)n1 ZINC000225262777 388599060 /nfs/dbraw/zinc/59/90/60/388599060.db2.gz QANGYMYWWZLJDK-UHFFFAOYSA-N 0 0 213.240 2.561 10 30 BFEERN Cc1nnc([C@H](C)Nc2ccc(C#N)cc2)s1 ZINC000273475039 388606977 /nfs/dbraw/zinc/60/69/77/388606977.db2.gz JGGGUBURWYEENQ-QMMMGPOBSA-N 0 0 244.323 2.891 10 30 BFEERN N#Cc1ccc(Nc2nsnc2Cl)cc1 ZINC000037372147 388615474 /nfs/dbraw/zinc/61/54/74/388615474.db2.gz ZWLSFQSFZXGKMX-UHFFFAOYSA-N 0 0 236.687 2.807 10 30 BFEERN C=C(Br)CNc1cccc(C#N)c1 ZINC000037681060 388569597 /nfs/dbraw/zinc/56/95/97/388569597.db2.gz FGKJBBKFXJNTBX-UHFFFAOYSA-N 0 0 237.100 2.879 10 30 BFEERN N#CCc1ccc(N2CCCCC2)cc1 ZINC000075601722 388574980 /nfs/dbraw/zinc/57/49/80/388574980.db2.gz PKFJXCSNOKGOFC-UHFFFAOYSA-N 0 0 200.285 2.743 10 30 BFEERN C[C@H](Nc1ccc(F)cc1C#N)[C@@H]1CCCO1 ZINC000112636008 388667899 /nfs/dbraw/zinc/66/78/99/388667899.db2.gz GMWBPHDVEHZDMI-ZANVPECISA-N 0 0 234.274 2.677 10 30 BFEERN N#Cc1ccc(-n2ccc3cccnc32)cc1 ZINC000066326001 388681721 /nfs/dbraw/zinc/68/17/21/388681721.db2.gz PINRRCFXMRVJBZ-UHFFFAOYSA-N 0 0 219.247 2.897 10 30 BFEERN Cc1ccc(N[C@H](C)c2nccs2)nc1C#N ZINC000302601458 388623128 /nfs/dbraw/zinc/62/31/28/388623128.db2.gz CDHFOTDNGAAIKO-SECBINFHSA-N 0 0 244.323 2.891 10 30 BFEERN C[C@H]1CCC[C@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000230041907 388631846 /nfs/dbraw/zinc/63/18/46/388631846.db2.gz IMLQGOGVFFZZAB-GXFFZTMASA-N 0 0 228.295 2.933 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1C#N ZINC000230042355 388631919 /nfs/dbraw/zinc/63/19/19/388631919.db2.gz PWKUMRDOIWARRR-PWSUYJOCSA-N 0 0 228.295 2.933 10 30 BFEERN Cc1ccccc1C=Nc1cccc(C(N)=O)c1 ZINC000254306750 388639183 /nfs/dbraw/zinc/63/91/83/388639183.db2.gz HIZOTQDRBRNSDO-UHFFFAOYSA-N 0 0 238.290 2.845 10 30 BFEERN Cc1cc(CN[C@@H]2CCC[C@@H]2C#N)cs1 ZINC000328512253 388644454 /nfs/dbraw/zinc/64/44/54/388644454.db2.gz BZADEVAWXTVSTN-VXGBXAGGSA-N 0 0 220.341 2.838 10 30 BFEERN C[C@@H]1CC(CNc2cnccc2C#N)C[C@@H](C)O1 ZINC000282013501 388810963 /nfs/dbraw/zinc/81/09/63/388810963.db2.gz YALBGXMHVRKSQR-GHMZBOCLSA-N 0 0 245.326 2.569 10 30 BFEERN COC(=O)Cc1cc(C(F)F)c(C)cc1C#N ZINC000575343765 388816429 /nfs/dbraw/zinc/81/64/29/388816429.db2.gz HMMWSEGRIMZIAY-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN Cc1nc(C)c(C(=O)/C=C/Cl)s1 ZINC000575464912 388833044 /nfs/dbraw/zinc/83/30/44/388833044.db2.gz CNXZWRNHWVZZFO-ONEGZZNKSA-N 0 0 201.678 2.695 10 30 BFEERN CC(C)(C)OC(=O)N[C@]1(C#N)CCCC1(C)C ZINC000575497260 388977430 /nfs/dbraw/zinc/97/74/30/388977430.db2.gz SVDJATRYHSSTOC-ZDUSSCGKSA-N 0 0 238.331 2.984 10 30 BFEERN CCC[C@H]1[C@H](C)CCCN1c1nccc(C#N)n1 ZINC000297437025 132221427 /nfs/dbraw/zinc/22/14/27/132221427.db2.gz IHNOCEUTIWIJDV-YPMHNXCESA-N 0 0 244.342 2.753 10 30 BFEERN N#CCCCCN1CCSc2ccc(N)cc21 ZINC000049578684 132356234 /nfs/dbraw/zinc/35/62/34/132356234.db2.gz JTOWQRKETIKADR-UHFFFAOYSA-N 0 0 247.367 2.875 10 30 BFEERN CC(=O)c1ccc(N2CCCC[C@H]2C=O)c(F)c1 ZINC000054268344 132363779 /nfs/dbraw/zinc/36/37/79/132363779.db2.gz PEJKJNGRYYNRFF-LBPRGKRZSA-N 0 0 249.285 2.586 10 30 BFEERN Cc1nc(N2C[C@@H]3CCC[C@H]32)c(Cl)cc1C#N ZINC000336032602 134058630 /nfs/dbraw/zinc/05/86/30/134058630.db2.gz AYBRUQQIVPXYHG-JOYOIKCWSA-N 0 0 247.729 2.904 10 30 BFEERN CC(C)Cc1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000333794301 134135207 /nfs/dbraw/zinc/13/52/07/134135207.db2.gz DZUXTEWWEOTRIV-AWEZNQCLSA-N 0 0 245.326 2.994 10 30 BFEERN N#C[C@]1(c2nc(CC3CC3)no2)CC12CCCC2 ZINC000333892366 134140240 /nfs/dbraw/zinc/14/02/40/134140240.db2.gz ZAAYYEXNCYDVGL-AWEZNQCLSA-N 0 0 243.310 2.748 10 30 BFEERN C[C@@H]1CC2(CCC2)C[N@@H+]1CC1(C#N)CCC1 ZINC000336272814 134141729 /nfs/dbraw/zinc/14/17/29/134141729.db2.gz BOPSIFACNIWHLP-GFCCVEGCSA-N 0 0 218.344 2.945 10 30 BFEERN C[C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000356936236 134181285 /nfs/dbraw/zinc/18/12/85/134181285.db2.gz PLMAKLGARILQQN-GRYCIOLGSA-N 0 0 236.359 2.867 10 30 BFEERN C[C@H](CC(C)(C)C)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000356936238 134181391 /nfs/dbraw/zinc/18/13/91/134181391.db2.gz PLMAKLGARILQQN-UTUOFQBUSA-N 0 0 236.359 2.867 10 30 BFEERN C[C@@H]1CC[C@@]2(CCN(C(C)(C)C#N)C2)C1 ZINC000118968262 134223886 /nfs/dbraw/zinc/22/38/86/134223886.db2.gz OTQHONNTMLILJZ-DGCLKSJQSA-N 0 0 206.333 2.801 10 30 BFEERN C[C@@H](C#N)N1CCC(Nc2ccccc2F)CC1 ZINC000182188488 134342259 /nfs/dbraw/zinc/34/22/59/134342259.db2.gz XOFBSPMVMYDWQQ-NSHDSACASA-N 0 0 247.317 2.614 10 30 BFEERN C=CCSCCNc1cc(C)nc(C)c1C#N ZINC000227593390 134385566 /nfs/dbraw/zinc/38/55/66/134385566.db2.gz FXOTYPZAUBRBSU-UHFFFAOYSA-N 0 0 247.367 2.901 10 30 BFEERN Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061889407 134803890 /nfs/dbraw/zinc/80/38/90/134803890.db2.gz QHWPQZKTFZTMKP-DGCLKSJQSA-N 0 0 243.310 2.809 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1 ZINC000061889338 134804645 /nfs/dbraw/zinc/80/46/45/134804645.db2.gz MOUFCEAQDJCBAP-CABZTGNLSA-N 0 0 247.273 2.639 10 30 BFEERN CC[C@H](C#N)NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248572504 135007002 /nfs/dbraw/zinc/00/70/02/135007002.db2.gz OOYDGPNGHGWFMP-GRYCIOLGSA-N 0 0 236.359 2.867 10 30 BFEERN Cc1nc(C)c(CN[C@@H]2CCC[C@H]2C#N)s1 ZINC000084148982 135187208 /nfs/dbraw/zinc/18/72/08/135187208.db2.gz ABTHVQZPAPKCMM-WDEREUQCSA-N 0 0 235.356 2.542 10 30 BFEERN C[C@@H](C=O)Oc1ccc(Cl)cc1Cl ZINC000164042480 397791454 /nfs/dbraw/zinc/79/14/54/397791454.db2.gz OUYMWWKOMCFREK-LURJTMIESA-N 0 0 219.067 2.960 10 30 BFEERN O=C(/C=C/Cl)c1occc1Br ZINC000575467492 397993360 /nfs/dbraw/zinc/99/33/60/397993360.db2.gz AXLUEGYTQMPZLZ-HNQUOIGGSA-N 0 0 235.464 2.977 10 30 BFEERN C#CCOc1cc(Cl)c([N+](=O)[O-])cc1C ZINC000307133220 397985333 /nfs/dbraw/zinc/98/53/33/397985333.db2.gz XHADKBBVYAXHPP-UHFFFAOYSA-N 0 0 225.631 2.569 10 30 BFEERN C=CC[S@](=O)c1ccccc1C(F)(F)F ZINC000584614049 398077958 /nfs/dbraw/zinc/07/79/58/398077958.db2.gz YLVIEDWLRPMJIO-HNNXBMFYSA-N 0 0 234.242 2.999 10 30 BFEERN CCOc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1 ZINC000061891066 398107551 /nfs/dbraw/zinc/10/75/51/398107551.db2.gz LGXWSWSQIFGJEK-ZFWWWQNUSA-N 0 0 244.338 2.867 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1cc(F)ccc1F ZINC000061891819 398107665 /nfs/dbraw/zinc/10/76/65/398107665.db2.gz IPOQBNKMGTUHBH-RNCFNFMXSA-N 0 0 236.265 2.747 10 30 BFEERN CCc1ccc(CN[C@H]2CCC[C@H]2C#N)o1 ZINC000061892561 398107779 /nfs/dbraw/zinc/10/77/79/398107779.db2.gz NBLWZYVCPJJTSB-GWCFXTLKSA-N 0 0 218.300 2.624 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1cccc(F)c1 ZINC000061889434 398107788 /nfs/dbraw/zinc/10/77/88/398107788.db2.gz LYFUGFFTHPHSOP-CABZTGNLSA-N 0 0 247.273 2.639 10 30 BFEERN C#CCN[C@H](CCCCCCC)C(=O)OCC ZINC000103524030 166192005 /nfs/dbraw/zinc/19/20/05/166192005.db2.gz NCIVKGAFOUFZGF-CYBMUJFWSA-N 0 0 239.359 2.501 10 30 BFEERN C#CCN[C@H](C)c1ccccc1Br ZINC000019875492 166192799 /nfs/dbraw/zinc/19/27/99/166192799.db2.gz KIMSQOPNTPBCKA-SECBINFHSA-N 0 0 238.128 2.733 10 30 BFEERN C=CCNC(=O)/C=C/c1ccc(C)c(Cl)c1 ZINC000070237011 166361381 /nfs/dbraw/zinc/36/13/81/166361381.db2.gz YMQMFTWORKIOCX-VOTSOKGWSA-N 0 0 235.714 2.964 10 30 BFEERN C=CCNC(=O)[C@@H](CC)Oc1cc(C)cc(C)c1 ZINC000011637298 166384715 /nfs/dbraw/zinc/38/47/15/166384715.db2.gz GRSNTQAKAHGSKH-CQSZACIVSA-N 0 0 247.338 2.763 10 30 BFEERN C#CCNc1cnc(Cl)c(Br)c1 ZINC000236055087 410569016 /nfs/dbraw/zinc/56/90/16/410569016.db2.gz GRHMYBWIBXSMHA-UHFFFAOYSA-N 0 0 245.507 2.543 10 30 BFEERN CC(C)(C)OC(=O)Nc1sccc1C#N ZINC000083502236 166670560 /nfs/dbraw/zinc/67/05/60/166670560.db2.gz BBOVPMWAFBFBPM-UHFFFAOYSA-N 0 0 224.285 2.967 10 30 BFEERN CC(C)Nc1ccccc1C(=O)N[C@H](C)CC#N ZINC000062820343 167146896 /nfs/dbraw/zinc/14/68/96/167146896.db2.gz DDDDDMBSQVSQST-LLVKDONJSA-N 0 0 245.326 2.539 10 30 BFEERN CC(C)Oc1ccc(OC2CC2)c(C#N)c1 ZINC000095712933 167297867 /nfs/dbraw/zinc/29/78/67/167297867.db2.gz ORKXCNBGIQNXMB-UHFFFAOYSA-N 0 0 217.268 2.887 10 30 BFEERN CC(C)Oc1ccc([C@@H](C#N)N(C)C)cc1 ZINC000019934889 167299719 /nfs/dbraw/zinc/29/97/19/167299719.db2.gz BYURIXVJDAPCJO-CYBMUJFWSA-N 0 0 218.300 2.600 10 30 BFEERN CC(C)Oc1ccc2cc(C#CCO)ccc2c1 ZINC000042477784 167303094 /nfs/dbraw/zinc/30/30/94/167303094.db2.gz LQSSPDXYIGORQJ-UHFFFAOYSA-N 0 0 240.302 2.971 10 30 BFEERN CC(C)Oc1cccc(C#N)c1OC1CC1 ZINC000095720831 167305165 /nfs/dbraw/zinc/30/51/65/167305165.db2.gz WTFOYSNMEYZYMM-UHFFFAOYSA-N 0 0 217.268 2.887 10 30 BFEERN CC(C)[C@@H](C#N)N[C@H](C)c1ccccc1 ZINC000057491343 167341047 /nfs/dbraw/zinc/34/10/47/167341047.db2.gz WJAKQMNUCFVBDO-DGCLKSJQSA-N 0 0 202.301 2.885 10 30 BFEERN CCN(CC)[C@@H](C#N)c1cc(OC)ccc1OC ZINC000019934726 169794830 /nfs/dbraw/zinc/79/48/30/169794830.db2.gz AYWIUALOMLYLFH-ZDUSSCGKSA-N 0 0 248.326 2.610 10 30 BFEERN C=C(C[Si](C)(C)C)[C@@](C)(C#N)OC(C)=O ZINC000584624741 411170528 /nfs/dbraw/zinc/17/05/28/411170528.db2.gz NUKOIZJLGFVHKA-LLVKDONJSA-N 0 0 225.364 2.726 10 30 BFEERN N#C[C@]1(c2ccc(F)c3ccccc32)C[C@H]1CO ZINC000584653815 411171138 /nfs/dbraw/zinc/17/11/38/411171138.db2.gz IAXKIBTXEXNFMK-ZUZCIYMTSA-N 0 0 241.265 2.752 10 30 BFEERN CC1=C(OCC(C)C)S[C@H](C)C1=O ZINC000039090718 168087979 /nfs/dbraw/zinc/08/79/79/168087979.db2.gz YVKUOBCYAUOJCO-MRVPVSSYSA-N 0 0 200.303 2.595 10 30 BFEERN CC1=C(Cl)C(=O)c2ccccc2C1=O ZINC000005766213 168088634 /nfs/dbraw/zinc/08/86/34/168088634.db2.gz WYIOQBYLZGEHCV-UHFFFAOYSA-N 0 0 206.628 2.578 10 30 BFEERN CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@H](C)O ZINC000100235853 168090689 /nfs/dbraw/zinc/09/06/89/168090689.db2.gz UEEJDIUOCUCVHN-CMPLNLGQSA-N 0 0 210.317 2.709 10 30 in-vitro,metabolite BFEERN CC=NOCc1c(F)c(F)c(F)c(F)c1F ZINC000306146070 168191720 /nfs/dbraw/zinc/19/17/20/168191720.db2.gz AKDRYEADQPNLOH-UHFFFAOYSA-N 0 0 239.143 2.904 10 30 BFEERN CCC(C#N)(CC)NC(=O)Cc1cccc(C)c1 ZINC000052135889 168260216 /nfs/dbraw/zinc/26/02/16/168260216.db2.gz WXPCMOOQFDNADU-UHFFFAOYSA-N 0 0 244.338 2.736 10 30 BFEERN CCN(C[C@H](C)C#N)c1nncc2ccccc21 ZINC000042449847 169889233 /nfs/dbraw/zinc/88/92/33/169889233.db2.gz WCMNDMCMFDJNOY-LLVKDONJSA-N 0 0 240.310 2.616 10 30 BFEERN CCN(C[C@H](C)C#N)c1ccccc1[C@@H](C)O ZINC000042447587 169889502 /nfs/dbraw/zinc/88/95/02/169889502.db2.gz MJJMBBVWHXPPKK-VXGBXAGGSA-N 0 0 232.327 2.726 10 30 BFEERN CCN[C@@](C)(C#N)c1cccc(Cl)c1 ZINC000026513814 170155511 /nfs/dbraw/zinc/15/55/11/170155511.db2.gz ZTXRULVSOKBENU-NSHDSACASA-N 0 0 208.692 2.688 10 30 BFEERN CCN[C@H](C#N)c1ccccc1Br ZINC000020378895 170156210 /nfs/dbraw/zinc/15/62/10/170156210.db2.gz JMGHRILUAJJDJS-SNVBAGLBSA-N 0 0 239.116 2.623 10 30 BFEERN CCN[C@H](C#N)c1ccc(Br)s1 ZINC000041678748 170156358 /nfs/dbraw/zinc/15/63/58/170156358.db2.gz WAMSZZARSMKRTM-ZCFIWIBFSA-N 0 0 245.145 2.685 10 30 BFEERN CCN[C@H](C#N)c1cc(Br)cs1 ZINC000041677464 170156481 /nfs/dbraw/zinc/15/64/81/170156481.db2.gz NHLJNPDOOQHOON-SSDOTTSWSA-N 0 0 245.145 2.685 10 30 BFEERN CCOC(=O)[C@H](C#N)C1(C)CCCCC1 ZINC000032175700 170263081 /nfs/dbraw/zinc/26/30/81/170263081.db2.gz ROHCCJIABRKISQ-JTQLQIEISA-N 0 0 209.289 2.660 10 30 BFEERN CCOC(=O)[C@](C)(C#N)Cc1cccc(C)c1 ZINC000057519398 170282970 /nfs/dbraw/zinc/28/29/70/170282970.db2.gz DSLJCQZOOGBIAZ-AWEZNQCLSA-N 0 0 231.295 2.631 10 30 BFEERN CCOc1cc(C=O)ccc1OCCCC#N ZINC000019516988 170520846 /nfs/dbraw/zinc/52/08/46/170520846.db2.gz PXLKEZCHXHIDSA-UHFFFAOYSA-N 0 0 233.267 2.580 10 30 BFEERN CCOc1cc(OC)c(CC)cc1C#N ZINC000039099378 170528230 /nfs/dbraw/zinc/52/82/30/170528230.db2.gz HTTGBRPVEMRTOW-UHFFFAOYSA-N 0 0 205.257 2.528 10 30 BFEERN CCOc1ccccc1[C@@H](C#N)NCC1CC1 ZINC000037946862 170597576 /nfs/dbraw/zinc/59/75/76/170597576.db2.gz UMZUXFUPRZGXAF-CYBMUJFWSA-N 0 0 230.311 2.650 10 30 BFEERN CCOc1ccccc1Oc1nccnc1C#N ZINC000054379731 170597851 /nfs/dbraw/zinc/59/78/51/170597851.db2.gz UAPCMENYGJXFPI-UHFFFAOYSA-N 0 0 241.250 2.539 10 30 BFEERN CCOc1ccccc1[C@H](C#N)NCC1CC1 ZINC000037946863 170599172 /nfs/dbraw/zinc/59/91/72/170599172.db2.gz UMZUXFUPRZGXAF-ZDUSSCGKSA-N 0 0 230.311 2.650 10 30 BFEERN CC[C@@](C)(C=O)CN(C)c1ccc(OC)cc1 ZINC000051178594 171163309 /nfs/dbraw/zinc/16/33/09/171163309.db2.gz APAQQDCEDVAXHK-CQSZACIVSA-N 0 0 235.327 2.747 10 30 BFEERN CC[C@@]1(C2=CC(=O)CCC2)CCCCN(C)C1=O ZINC000038632930 171211222 /nfs/dbraw/zinc/21/12/22/171211222.db2.gz PHWHMJKWJICNLX-HNNXBMFYSA-N 0 0 249.354 2.705 10 30 BFEERN CC[C@H](C#N)N[C@H]1CCc2ccccc21 ZINC000043540227 171219711 /nfs/dbraw/zinc/21/97/11/171219711.db2.gz AOCFSAYKLWMXKD-YPMHNXCESA-N 0 0 200.285 2.566 10 30 BFEERN CC[C@H](C#N)n1c2ccccc2nc1CC#N ZINC000110949910 171220669 /nfs/dbraw/zinc/22/06/69/171220669.db2.gz RBQVLFPBQBTGLI-SNVBAGLBSA-N 0 0 224.267 2.577 10 30 BFEERN CC[C@H](C)N(C)c1ccc(F)cc1C#N ZINC000104361287 171309455 /nfs/dbraw/zinc/30/94/55/171309455.db2.gz PCCMKWSZAFRMRC-VIFPVBQESA-N 0 0 206.264 2.932 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1ccc(OC)c(OC)c1 ZINC000038064591 171347205 /nfs/dbraw/zinc/34/72/05/171347205.db2.gz VPNCUPORJKOAAN-CMPLNLGQSA-N 0 0 248.326 2.657 10 30 BFEERN CC[C@H](C)N[C@@]1(C#N)CCOc2ccccc21 ZINC000038064397 171347353 /nfs/dbraw/zinc/34/73/53/171347353.db2.gz XSGNKLJESMTVRF-SMDDNHRTSA-N 0 0 230.311 2.576 10 30 BFEERN CC[C@H](C)N[C@@]1(C#N)CCc2ccccc2C1 ZINC000038064519 171347416 /nfs/dbraw/zinc/34/74/16/171347416.db2.gz QYMYHUJFHJTBFP-WFASDCNBSA-N 0 0 228.339 2.826 10 30 BFEERN CC[C@H](C)OCc1ccccc1C#CCCO ZINC000049621989 171355044 /nfs/dbraw/zinc/35/50/44/171355044.db2.gz ILEIAAOVLKQYDJ-ZDUSSCGKSA-N 0 0 232.323 2.736 10 30 BFEERN CCc1nccn1[C@H]1CCCC[C@@H]1C#N ZINC000042419830 172029265 /nfs/dbraw/zinc/02/92/65/172029265.db2.gz UDHKDGGWVYRMCS-MNOVXSKESA-N 0 0 203.289 2.700 10 30 BFEERN CN(C(=O)OC(C)(C)C)C1(C#N)CCCC1 ZINC000057516647 172323879 /nfs/dbraw/zinc/32/38/79/172323879.db2.gz DLFRMAMKDJXRCN-UHFFFAOYSA-N 0 0 224.304 2.690 10 30 BFEERN CN1c2ccccc2C(C)(C)C1=CC(=O)CC#N ZINC000011535946 172958353 /nfs/dbraw/zinc/95/83/53/172958353.db2.gz FFYNSCICOOBTIU-UVTDQMKNSA-N 0 0 240.306 2.781 10 30 BFEERN CN[C@H](C#N)CCOc1cc(C)ccc1C(C)C ZINC000062446011 173441163 /nfs/dbraw/zinc/44/11/63/173441163.db2.gz HMWDNSWSZREGKA-ZDUSSCGKSA-N 0 0 246.354 2.999 10 30 BFEERN CNc1c(C#N)cnc2c(F)cc(C)cc21 ZINC000050842614 173470442 /nfs/dbraw/zinc/47/04/42/173470442.db2.gz BADIGIYTAJPFGW-UHFFFAOYSA-N 0 0 215.231 2.596 10 30 BFEERN CO/C=C(\C(C)=O)C(=O)c1ccc(Cl)cc1 ZINC000072416123 173491657 /nfs/dbraw/zinc/49/16/57/173491657.db2.gz NWEDSKCVFIBDOI-YRNVUSSQSA-N 0 0 238.670 2.642 10 30 BFEERN CO/N=C1\C=C(C#Cc2cccc(C)n2)CCC1 ZINC000095552133 173493151 /nfs/dbraw/zinc/49/31/51/173493151.db2.gz CNNZLFXCUQLKOB-ICFOKQHNSA-N 0 0 240.306 2.854 10 30 BFEERN COC[C@@H](C)N(C)c1cccc(Cl)c1C#N ZINC000052908849 174448973 /nfs/dbraw/zinc/44/89/73/174448973.db2.gz YDSVSNARXFAUEQ-SECBINFHSA-N 0 0 238.718 2.683 10 30 BFEERN COc1ccc(C(=O)C#CC(C)(C)C)cc1 ZINC000022004605 175052708 /nfs/dbraw/zinc/05/27/08/175052708.db2.gz UTPNVHJXOLDLHO-UHFFFAOYSA-N 0 0 216.280 2.927 10 30 BFEERN COc1ccc(C)cc1-c1ccc(C#N)c(N)n1 ZINC000050871143 175071277 /nfs/dbraw/zinc/07/12/77/175071277.db2.gz KQEJRPFDAFCRBL-UHFFFAOYSA-N 0 0 239.278 2.520 10 30 BFEERN COc1ccc(C)cc1C1(C#N)CCOCC1 ZINC000034940473 175073803 /nfs/dbraw/zinc/07/38/03/175073803.db2.gz OWIBGKOZSNHNSC-UHFFFAOYSA-N 0 0 231.295 2.575 10 30 BFEERN COc1ccc(C)cc1[C@H](C#N)C(=O)CC1CC1 ZINC000049730687 175081403 /nfs/dbraw/zinc/08/14/03/175081403.db2.gz SCMKDKXFMPBQIP-ZDUSSCGKSA-N 0 0 243.306 2.980 10 30 BFEERN COc1ccc(C2(C=O)CC2)cc1Cl ZINC000057496381 175083422 /nfs/dbraw/zinc/08/34/22/175083422.db2.gz CGZBDUTVKZEINO-UHFFFAOYSA-N 0 0 210.660 2.579 10 30 BFEERN COc1ccc(N[C@@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000054823119 175154384 /nfs/dbraw/zinc/15/43/84/175154384.db2.gz MGCOKYBPQBMBSX-ZYHUDNBSSA-N 0 0 246.310 2.808 10 30 BFEERN COc1ccc2c(c1)CCC[C@@]2(C#N)NC(C)C ZINC000036924637 175207936 /nfs/dbraw/zinc/20/79/36/175207936.db2.gz WYEFNSAYXBGAFJ-HNNXBMFYSA-N 0 0 244.338 2.748 10 30 BFEERN COc1cccc(Oc2cc(C#N)ccn2)c1 ZINC000019428940 175284664 /nfs/dbraw/zinc/28/46/64/175284664.db2.gz JTBUZGXAASBAPO-UHFFFAOYSA-N 0 0 226.235 2.754 10 30 BFEERN COc1cccc([C@@H](C#N)NCC(C)C)c1OC ZINC000020176897 175285959 /nfs/dbraw/zinc/28/59/59/175285959.db2.gz ZNBYNOXSBVIEBH-GFCCVEGCSA-N 0 0 248.326 2.514 10 30 BFEERN COc1cccc([C@H](C#N)NC2CCCC2)c1 ZINC000020173279 175291394 /nfs/dbraw/zinc/29/13/94/175291394.db2.gz NAMMHBXXQWWJCA-AWEZNQCLSA-N 0 0 230.311 2.792 10 30 BFEERN COc1ccccc1-c1ccc(C#N)c(O)c1 ZINC000065341341 175309106 /nfs/dbraw/zinc/30/91/06/175309106.db2.gz AQSGKTBWHQVYCX-UHFFFAOYSA-N 0 0 225.247 2.939 10 30 BFEERN COc1ccccc1[C@@H](C#N)NCC(C)C ZINC000019989668 175343484 /nfs/dbraw/zinc/34/34/84/175343484.db2.gz KXGJRUKTYRJJJZ-GFCCVEGCSA-N 0 0 218.300 2.505 10 30 BFEERN COc1ccccc1[C@H](C#N)NCC(C)C ZINC000019989664 175351294 /nfs/dbraw/zinc/35/12/94/175351294.db2.gz KXGJRUKTYRJJJZ-LBPRGKRZSA-N 0 0 218.300 2.505 10 30 BFEERN CSCC[C@@H](C#N)NC1CCCCCC1 ZINC000037970368 175501558 /nfs/dbraw/zinc/50/15/58/175501558.db2.gz ZZICSJFQMOPDCW-LBPRGKRZSA-N 0 0 226.389 2.944 10 30 BFEERN C[C@@H](C#N)C(=O)Nc1ccccc1C(F)(F)F ZINC000036240597 175594880 /nfs/dbraw/zinc/59/48/80/175594880.db2.gz SNBJIOJELZGPAD-ZETCQYMHSA-N 0 0 242.200 2.804 10 30 BFEERN C[C@@H](C#N)CN(C)c1ccc(Cl)cc1 ZINC000049814371 175596342 /nfs/dbraw/zinc/59/63/42/175596342.db2.gz KXMBYXWMTBPJBV-VIFPVBQESA-N 0 0 208.692 2.936 10 30 BFEERN C[C@@H](C#N)NCc1cccc2ccccc21 ZINC000052061504 175598480 /nfs/dbraw/zinc/59/84/80/175598480.db2.gz ODPQWEVXOAXFAS-NSHDSACASA-N 0 0 210.280 2.841 10 30 BFEERN C[C@@H](C#N)NCc1ccc(Br)s1 ZINC000043515116 175598493 /nfs/dbraw/zinc/59/84/93/175598493.db2.gz JCJLUVNAMXWXIC-LURJTMIESA-N 0 0 245.145 2.512 10 30 BFEERN C[C@@H](OC(C)(C)C)C(=O)Nc1cccc(C#N)c1 ZINC000020514518 176002372 /nfs/dbraw/zinc/00/23/72/176002372.db2.gz WEYFELWWEFZJOR-SNVBAGLBSA-N 0 0 246.310 2.700 10 30 BFEERN C[C@@H](OCCCC/C(N)=N/O)c1ccccc1 ZINC000049580384 176002710 /nfs/dbraw/zinc/00/27/10/176002710.db2.gz IKJWVLJNJXHIPD-LLVKDONJSA-N 0 0 236.315 2.681 10 30 BFEERN C[C@H](CC#N)N(C)[C@@H](C)c1ccccc1 ZINC000049812469 176020035 /nfs/dbraw/zinc/02/00/35/176020035.db2.gz DWUGWYDDEUPAQA-NEPJUHHUSA-N 0 0 202.301 2.982 10 30 BFEERN C[C@@H]1CC(C)(C)Nc2cc(C#N)c(O)cc21 ZINC000072417466 176052778 /nfs/dbraw/zinc/05/27/78/176052778.db2.gz KNEGOMYMWMQDTE-MRVPVSSYSA-N 0 0 216.284 2.962 10 30 BFEERN C[C@@H]1CCCC[C@@H]1CNc1ncc(N)cc1C#N ZINC000042860136 176078136 /nfs/dbraw/zinc/07/81/36/176078136.db2.gz BIRPUPIGONLHCV-GHMZBOCLSA-N 0 0 244.342 2.774 10 30 BFEERN C[C@@H]1CCCC[C@H]1N(C)c1cc(C#N)ccn1 ZINC000042610334 176086155 /nfs/dbraw/zinc/08/61/55/176086155.db2.gz RXFWURRKSVDLNG-DGCLKSJQSA-N 0 0 229.327 2.968 10 30 BFEERN C[C@@H]1CCCC[C@H]1Oc1cc(C#N)ccn1 ZINC000019804547 176090082 /nfs/dbraw/zinc/09/00/82/176090082.db2.gz SJCAMRHQSJWXGX-ZYHUDNBSSA-N 0 0 216.284 2.911 10 30 BFEERN C[C@@H]1CCCN(c2ccc(N)cc2C#N)CC1 ZINC000104365904 176103046 /nfs/dbraw/zinc/10/30/46/176103046.db2.gz MIDDVJUVDXIUCJ-LLVKDONJSA-N 0 0 229.327 2.767 10 30 BFEERN C[C@@H]1CCC[C@@](C#N)(NC2CCCC2)C1 ZINC000037968407 176132827 /nfs/dbraw/zinc/13/28/27/176132827.db2.gz MTCYMHPRRPTCIL-DGCLKSJQSA-N 0 0 206.333 2.991 10 30 BFEERN C[C@@H]1CCC[C@H](Nc2ncc(N)cc2C#N)C1 ZINC000037759062 176146095 /nfs/dbraw/zinc/14/60/95/176146095.db2.gz MOXFKJTWEANEMG-SKDRFNHKSA-N 0 0 230.315 2.526 10 30 BFEERN C[C@@H]1C[C@@H]1CN(C)c1ccccc1C#N ZINC000104419296 176391691 /nfs/dbraw/zinc/39/16/91/176391691.db2.gz AVPGVZRXTLLETA-ZYHUDNBSSA-N 0 0 200.285 2.650 10 30 BFEERN C[C@H](C=O)c1cccc(Br)c1 ZINC000039295756 176595040 /nfs/dbraw/zinc/59/50/40/176595040.db2.gz TXYJSKCUTXIIGJ-SSDOTTSWSA-N 0 0 213.074 2.752 10 30 BFEERN C[C@@H](C#N)CN[C@@H](C)c1ccc(F)cc1 ZINC000042207321 176855820 /nfs/dbraw/zinc/85/58/20/176855820.db2.gz XQOBBRZKUXIYBS-UWVGGRQHSA-N 0 0 206.264 2.636 10 30 BFEERN C[C@H]1CCCN(C(=O)[C@H](C#N)c2ccccc2)C1 ZINC000061613939 177093907 /nfs/dbraw/zinc/09/39/07/177093907.db2.gz LVOWPOGLINRJRQ-GXTWGEPZSA-N 0 0 242.322 2.552 10 30 BFEERN C[C@H]1CCC[C@H](Nc2ncc(N)cc2C#N)C1 ZINC000037759063 177137988 /nfs/dbraw/zinc/13/79/88/177137988.db2.gz MOXFKJTWEANEMG-CABZTGNLSA-N 0 0 230.315 2.526 10 30 BFEERN C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@H]1C ZINC000274231191 177171394 /nfs/dbraw/zinc/17/13/94/177171394.db2.gz QSCUAVMOWNWJEL-UWVGGRQHSA-N 0 0 245.282 2.701 10 30 BFEERN C[C@H]1C[C@@H](Oc2nccnc2C#N)CC(C)(C)C1 ZINC000054379983 177338248 /nfs/dbraw/zinc/33/82/48/177338248.db2.gz HVZAZQFWSOVFRA-WDEREUQCSA-N 0 0 245.326 2.942 10 30 BFEERN C[C@H]1C[C@H]1Nc1c(F)cc(C#N)cc1F ZINC000075721282 177386170 /nfs/dbraw/zinc/38/61/70/177386170.db2.gz ZMKCLVJHWCQHIR-QUBYGPBYSA-N 0 0 208.211 2.657 10 30 BFEERN CC1CC(C(=O)N[C@@H](C#N)C2CCCCC2)C1 ZINC000531477882 323098203 /nfs/dbraw/zinc/09/82/03/323098203.db2.gz QRQCYOFBMABSAI-GDKBPFBDSA-N 0 0 234.343 2.621 10 30 BFEERN C[C@H](C#N)CNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000248527983 325610749 /nfs/dbraw/zinc/61/07/49/325610749.db2.gz DGVBTJPTXPZASM-TUAOUCFPSA-N 0 0 236.359 2.725 10 30 BFEERN CCc1ccc([C@@H](C)[NH2+]CC#CCOC)cc1 ZINC000678727813 488279163 /nfs/dbraw/zinc/27/91/63/488279163.db2.gz ZNPSICIILWZAPV-CYBMUJFWSA-N 0 0 231.339 2.549 10 30 BFEERN CCOP(=O)(OCC)[C@@H]1CCC=CC1=O ZINC000584639552 490181805 /nfs/dbraw/zinc/18/18/05/490181805.db2.gz ASMSLEGWUBVELH-SNVBAGLBSA-N 0 0 232.216 2.540 10 30 BFEERN C=CCCC(=O)[C@H]1Cc2ccccc2O1 ZINC000147383804 491069605 /nfs/dbraw/zinc/06/96/05/491069605.db2.gz ZQTCIKRPDUALDS-CYBMUJFWSA-N 0 0 202.253 2.525 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@@]12CCC(C)(C)C[C@@H]2C ZINC000234594183 582461185 /nfs/dbraw/zinc/46/11/85/582461185.db2.gz SCEQWJXXTWNNFV-AXTRIDKLSA-N 0 0 246.734 2.710 10 30 BFEERN C[C@H](S)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000757159470 582540301 /nfs/dbraw/zinc/54/03/01/582540301.db2.gz KZWQATUXFCWRDD-DTWKUNHWSA-N 0 0 231.361 2.704 10 30 BFEERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@H](S)C1 ZINC000757162872 582545351 /nfs/dbraw/zinc/54/53/51/582545351.db2.gz JKQUYICPJRPHQY-UWVGGRQHSA-N 0 0 245.388 3.000 10 30 BFEERN CN[C@H](C#N)[C@@H](C)SCc1ccc(Cl)o1 ZINC000757165006 582546486 /nfs/dbraw/zinc/54/64/86/582546486.db2.gz KFXKMLDBHAHZFV-VXNVDRBHSA-N 0 0 244.747 2.666 10 30 BFEERN CC(C)(C)OC(=O)N[C@H]1C[C@@H](S)C12CCC2 ZINC000757163101 582545595 /nfs/dbraw/zinc/54/55/95/582545595.db2.gz KNXCQCIAIDFMGJ-DTWKUNHWSA-N 0 0 243.372 2.752 10 30 BFEERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1S ZINC000757163927 582545600 /nfs/dbraw/zinc/54/56/00/582545600.db2.gz UWIZLXIADAWCJY-DTWKUNHWSA-N 0 0 231.361 2.610 10 30 BFEERN CC(C)(C)OC(=O)N1CC[C@@H](S)C(C)(C)C1 ZINC000757164326 582545923 /nfs/dbraw/zinc/54/59/23/582545923.db2.gz ZXKQZTQULUPIBY-SECBINFHSA-N 0 0 245.388 2.952 10 30 BFEERN C[C@H](S)CCCNC(=O)OC(C)(C)C ZINC000757167014 582547514 /nfs/dbraw/zinc/54/75/14/582547514.db2.gz YRLMSHIRMDRANV-QMMMGPOBSA-N 0 0 219.350 2.610 10 30 BFEERN Cc1ccc(CN(C)c2ccc(C#N)cc2N)o1 ZINC000035699178 518188747 /nfs/dbraw/zinc/18/87/47/518188747.db2.gz RISMKRWIDNYCHF-UHFFFAOYSA-N 0 0 241.294 2.678 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CC#N)C1 ZINC000144077201 518837545 /nfs/dbraw/zinc/83/75/45/518837545.db2.gz VTQYAEKCJLVFBU-NXEZZACHSA-N 0 0 224.304 2.593 10 30 BFEERN CCOc1ccc2[nH]c(N=[N+]=[N-])nc2c1 ZINC000057351666 521284814 /nfs/dbraw/zinc/28/48/14/521284814.db2.gz KMICOJYRCJCGGP-UHFFFAOYSA-N 0 0 203.205 2.903 10 30 BFEERN CC[C@@]1([C@@H](NC(=O)OC(C)(C)C)C(C)C)CO1 ZINC000072207924 523744294 /nfs/dbraw/zinc/74/42/94/523744294.db2.gz HNZVFHDMNUWSHG-GWCFXTLKSA-N 0 0 243.347 2.715 10 30 BFEERN N#Cc1ccc2[nH]cc(CCCC=O)c2c1 ZINC000138485087 526690987 /nfs/dbraw/zinc/69/09/87/526690987.db2.gz KAMHFQOKYXEWST-UHFFFAOYSA-N 0 0 212.252 2.561 10 30 BFEERN CCC(CC)CNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232864692 535026430 /nfs/dbraw/zinc/02/64/30/535026430.db2.gz TUYPLXFARZSXGR-UHFFFAOYSA-N 0 0 248.286 2.710 10 30 BFEERN CC[C@H]1C[C@@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000231776814 536172835 /nfs/dbraw/zinc/17/28/35/536172835.db2.gz ZSGMRIDPGFMXHK-UWVGGRQHSA-N 0 0 231.255 2.677 10 30 BFEERN FC(F)(F)Oc1cccc(C[C@H]2CO2)c1 ZINC000148309577 566376646 /nfs/dbraw/zinc/37/66/46/566376646.db2.gz VHJJLSAYBMXATF-VIFPVBQESA-N 0 0 218.174 2.527 10 30 BFEERN CCC[C@@H]1CCC[C@]2(CC1)O[C@@H]2C(=O)OC ZINC000227521354 566466806 /nfs/dbraw/zinc/46/68/06/566466806.db2.gz GJGFYJGMQKUCDJ-NQBHXWOUSA-N 0 0 226.316 2.677 10 30 BFEERN CC(=O)/C=C/C=C\c1ccc2c(c1)OCO2 ZINC000013340653 571697814 /nfs/dbraw/zinc/69/78/14/571697814.db2.gz IDYPDRFMVHXYEC-HZDAAVBUSA-N 0 0 216.236 2.574 10 30 endogenous,in-man BFEERN CCCC(=O)OCC[C@@H](S)CCC ZINC000014589059 574413535 /nfs/dbraw/zinc/41/35/35/574413535.db2.gz TZNJKOLXWHXDAF-VIFPVBQESA-N 0 0 204.335 2.818 10 30 endogenous,in-man BFEERN O=C1Nc2c(c(Cl)ccc2Cl)[C@@H]1S ZINC000757159699 582541425 /nfs/dbraw/zinc/54/14/25/582541425.db2.gz UPKGXEJJBWHVRR-ZETCQYMHSA-N 0 0 234.107 2.916 10 30 BFEERN C[C@@H](S)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000757159480 582541676 /nfs/dbraw/zinc/54/16/76/582541676.db2.gz KZWQATUXFCWRDD-RKDXNWHRSA-N 0 0 231.361 2.704 10 30 BFEERN CN(C(=O)OC(C)(C)C)C(C)(C)CS ZINC000757163853 582545106 /nfs/dbraw/zinc/54/51/06/582545106.db2.gz SSHRMVGXHDFEJW-UHFFFAOYSA-N 0 0 219.350 2.562 10 30 BFEERN CN[C@@H](C#N)[C@@H](C)SCc1ccc(Cl)o1 ZINC000757164990 582545831 /nfs/dbraw/zinc/54/58/31/582545831.db2.gz KFXKMLDBHAHZFV-APPZFPTMSA-N 0 0 244.747 2.666 10 30 BFEERN CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](S)C1 ZINC000757163954 582546057 /nfs/dbraw/zinc/54/60/57/582546057.db2.gz VVYMLJWEQZPDIJ-BDAKNGLRSA-N 0 0 231.361 2.610 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H]1C[C@H](S)C1(C)C ZINC000757166891 582548130 /nfs/dbraw/zinc/54/81/30/582548130.db2.gz XCGPZULJCOUZSW-SFYZADRCSA-N 0 0 231.361 2.608 10 30 BFEERN CN[C@](C)(C#N)CSCc1ccc(Cl)o1 ZINC000757171638 582551494 /nfs/dbraw/zinc/55/14/94/582551494.db2.gz VEUUTKPUFVRMTB-SNVBAGLBSA-N 0 0 244.747 2.668 10 30 BFEERN CCCCCCCOC(=O)[C@H](C)COC ZINC000103552103 585336030 /nfs/dbraw/zinc/33/60/30/585336030.db2.gz CMXMJBIRJALCSC-LLVKDONJSA-N 0 0 216.321 2.783 10 30 BFEERN C=CCCOC(=O)Cc1ccc(C)s1 ZINC000103645975 586256819 /nfs/dbraw/zinc/25/68/19/586256819.db2.gz QOTHFHREHKVBMR-UHFFFAOYSA-N 0 0 210.298 2.718 10 30 BFEERN C=CCCOC(=O)c1coc(Br)c1 ZINC000103647980 586260064 /nfs/dbraw/zinc/26/00/64/586260064.db2.gz LFFLGFBPAYMCOC-UHFFFAOYSA-N 0 0 245.072 2.775 10 30 BFEERN CC[C@@H](C)OC(=O)[C@H](C)Oc1ccccc1C#N ZINC000103667018 586288260 /nfs/dbraw/zinc/28/82/60/586288260.db2.gz DMUGUHMLMYCLTB-MNOVXSKESA-N 0 0 247.294 2.667 10 30 BFEERN CC(C)(C)COC(=O)c1cccc(C#N)c1 ZINC000103701452 586419808 /nfs/dbraw/zinc/41/98/08/586419808.db2.gz QCBNEUPVJUYFEE-UHFFFAOYSA-N 0 0 217.268 2.761 10 30 BFEERN COCc1cc([C@@H](C)S)ccc1OC ZINC000757161069 586430537 /nfs/dbraw/zinc/43/05/37/586430537.db2.gz WSBAJMGLXJUTGE-MRVPVSSYSA-N 0 0 212.314 2.832 10 30 BFEERN CCCCCCCC(=O)N1[C@H](C)COC[C@H]1C ZINC000130545787 591480734 /nfs/dbraw/zinc/48/07/34/591480734.db2.gz WZDCDMIQRANGBT-CHWSQXEVSA-N 0 0 241.375 2.983 10 30 BFEERN C[C@H](OC(=O)[C@@H]1C[C@@H]1C1CC1)C(C)(C)C#N ZINC000130905339 591533498 /nfs/dbraw/zinc/53/34/98/591533498.db2.gz PVHSSSZAFSPKFL-JMJZKYOTSA-N 0 0 221.300 2.514 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)[C@H](C#N)c1ccccn1 ZINC000300240418 592505915 /nfs/dbraw/zinc/50/59/15/592505915.db2.gz NEILRJNZIWLIJB-IJLUTSLNSA-N 0 0 228.295 2.694 10 30 BFEERN C[C@H](/N=C\c1ccccc1O)C(=O)OC(C)(C)C ZINC000255361775 631335044 /nfs/dbraw/zinc/33/50/44/631335044.db2.gz DFJSXZRTZAEEEQ-QNKACBJSSA-N 0 0 249.310 2.541 10 30 BFEERN COc1cccc2ccc(CS)nc21 ZINC000087780933 631483866 /nfs/dbraw/zinc/48/38/66/631483866.db2.gz WYJJRBANYHIONC-UHFFFAOYSA-N 0 0 205.282 2.673 10 30 BFEERN C#CC[C@H](OC(=O)[C@@H]1C[C@@H]1C1CC1)C(C)C ZINC000176188450 631650074 /nfs/dbraw/zinc/65/00/74/631650074.db2.gz XJUKKNQCUGJOHA-UPJWGTAASA-N 0 0 220.312 2.624 10 30 BFEERN Cc1ccc(-c2ccc(C=O)o2)cc1C#N ZINC000309419461 632047768 /nfs/dbraw/zinc/04/77/68/632047768.db2.gz BIWZSSMTODWNDI-UHFFFAOYSA-N 0 0 211.220 2.939 10 30 BFEERN Oc1ccccc1/C=N\[C@H]1COc2ccccc21 ZINC000255563808 632059705 /nfs/dbraw/zinc/05/97/05/632059705.db2.gz UPFVRBUVJMNIDB-LWLPBDFMSA-N 0 0 239.274 2.945 10 30 BFEERN C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000330011229 633128260 /nfs/dbraw/zinc/12/82/60/633128260.db2.gz IPYVVJYVMDBOSJ-WHOHXGKFSA-N 0 0 248.326 2.640 10 30 BFEERN CCCCCCCCNC(=O)n1ccnc1 ZINC000043226648 638145413 /nfs/dbraw/zinc/14/54/13/638145413.db2.gz SKUWNJBAAZWAQF-UHFFFAOYSA-N 0 0 223.320 2.801 10 30 BFEERN CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1C#N ZINC000165876908 640596821 /nfs/dbraw/zinc/59/68/21/640596821.db2.gz BBMSADVUENDKHR-UWVGGRQHSA-N 0 0 224.304 2.593 10 30 BFEERN CCCCCCC[NH2+][C@@H](CCC)C(=O)[O-] ZINC000059389968 640807930 /nfs/dbraw/zinc/80/79/30/640807930.db2.gz QHFPYXBDVZVOJQ-NSHDSACASA-N 0 0 215.337 2.800 10 30 BFEERN C=C(Br)CN[C@@H](C)c1ncc(C)o1 ZINC000230645358 641076462 /nfs/dbraw/zinc/07/64/62/641076462.db2.gz RMOXDOGBDWSAJC-QMMMGPOBSA-N 0 0 245.120 2.542 10 30 BFEERN N#C[C@H]1CCCC[C@H]1NCC(F)(F)C(F)F ZINC000230690785 641089506 /nfs/dbraw/zinc/08/95/06/641089506.db2.gz PFHNGVPMRWHJQJ-HTQZYQBOSA-N 0 0 238.228 2.559 10 30 BFEERN CCCCCC[C@@H](C)C(=O)N[C@H](C)C#N ZINC000173282097 641166725 /nfs/dbraw/zinc/16/67/25/641166725.db2.gz DCCVIISXRVNTAG-GHMZBOCLSA-N 0 0 210.321 2.621 10 30 BFEERN C=CCC1(C(=O)O[C@@H](C)COCC)CCC1 ZINC000190756104 641885917 /nfs/dbraw/zinc/88/59/17/641885917.db2.gz GLGXFDXBNOZFIT-NSHDSACASA-N 0 0 226.316 2.701 10 30 BFEERN Cc1csc(C(C#N)C(=O)[C@H]2C[C@H]2C2CC2)n1 ZINC000246151566 644567829 /nfs/dbraw/zinc/56/78/29/644567829.db2.gz PFQPERUKKGMGPR-GARJFASQSA-N 0 0 246.335 2.674 10 30 BFEERN N#C[C@H]1CCCN(C[C@@H]2Cc3ccccc32)C1 ZINC000090977035 644608886 /nfs/dbraw/zinc/60/88/86/644608886.db2.gz ITQTZQQGNMTHLH-OCCSQVGLSA-N 0 0 226.323 2.562 10 30 BFEERN N#C[C@@H]1CCCN(C[C@H]2Cc3ccccc32)C1 ZINC000250846303 644782077 /nfs/dbraw/zinc/78/20/77/644782077.db2.gz ITQTZQQGNMTHLH-GXTWGEPZSA-N 0 0 226.323 2.562 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1scnc1Cl ZINC000713504760 711491277 /nfs/dbraw/zinc/49/12/77/711491277.db2.gz STGTVARJVJRUOS-SFYZADRCSA-N 0 0 241.747 2.578 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)/C=C\c1ccccc1 ZINC000700844422 712008315 /nfs/dbraw/zinc/00/83/15/712008315.db2.gz QJHGJMGZZBLTOO-YHFBFXLGSA-N 0 0 240.306 2.508 10 30 BFEERN C#Cc1cccc(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000700986373 712010789 /nfs/dbraw/zinc/01/07/89/712010789.db2.gz CMRDUVMAMWOUHK-GJZGRUSLSA-N 0 0 227.307 2.647 10 30 BFEERN CSC1CC(Nc2ccc(C#N)c(C)n2)C1 ZINC000708311819 712186712 /nfs/dbraw/zinc/18/67/12/712186712.db2.gz GIELLDHKOAAHML-UHFFFAOYSA-N 0 0 233.340 2.568 10 30 BFEERN C#CCC(C)(C)COC(=O)/C(=C\C)CC ZINC000588570127 959259796 /nfs/dbraw/zinc/25/97/96/959259796.db2.gz GRKOCQBYCCBMBZ-XFFZJAGNSA-N 0 0 208.301 2.935 10 30 BFEERN C#CCCCCCOC(=O)/C=C\c1cccnc1 ZINC000588456561 958589665 /nfs/dbraw/zinc/58/96/65/958589665.db2.gz PUGWALHFSGJRLU-KTKRTIGZSA-N 0 0 243.306 2.832 10 30 BFEERN C/C(=C/C(=O)O[C@@H](C#N)C(C)(C)C)C1CC1 ZINC000588470096 958701109 /nfs/dbraw/zinc/70/11/09/958701109.db2.gz RYYJZCFJWGVFBQ-DVBBHNHCSA-N 0 0 221.300 2.824 10 30 BFEERN C/C(=C/C(C)(C)C)C(=O)O[C@H](C#N)C1CC1 ZINC000588508637 958873900 /nfs/dbraw/zinc/87/39/00/958873900.db2.gz ASBIYBBAMSIHRU-GXMKHXEJSA-N 0 0 221.300 2.824 10 30 BFEERN C=C[C@H](C)OC(=O)/C=C\c1ccccc1C#N ZINC000588539635 959016995 /nfs/dbraw/zinc/01/69/95/959016995.db2.gz GJGQEWSHKXAYIC-IQQGHNRFSA-N 0 0 227.263 2.689 10 30 BFEERN C=C[C@@H](C)OC(=O)/C=C\c1scnc1C ZINC000588539849 959019150 /nfs/dbraw/zinc/01/91/50/959019150.db2.gz WHVGJTUYKLYLRH-RPSMYOMKSA-N 0 0 223.297 2.582 10 30 BFEERN CC[C@@H](CC#N)OC(=O)/C=C\c1cccs1 ZINC000588558095 959169075 /nfs/dbraw/zinc/16/90/75/959169075.db2.gz AHPNUQBDMYYFOK-OMMCCPJFSA-N 0 0 235.308 2.997 10 30 BFEERN CC[C@@H](CC#N)OC(=O)/C=C\c1ccccc1 ZINC000588558034 959169193 /nfs/dbraw/zinc/16/91/93/959169193.db2.gz SJASKMUMOWRTRQ-YXVBKTCISA-N 0 0 229.279 2.935 10 30 BFEERN CCOc1ccc(C(=O)/C=C\c2cocn2)cc1 ZINC000588561394 959176576 /nfs/dbraw/zinc/17/65/76/959176576.db2.gz FRGKAGUQUNRYOP-YVMONPNESA-N 0 0 243.262 2.969 10 30 BFEERN C/C=C(\CC)C(=O)O[C@H](C#N)C(C)(C)C ZINC000588570207 959256006 /nfs/dbraw/zinc/25/60/06/959256006.db2.gz NARWTNQYSULGRK-OLKPEBQYSA-N 0 0 209.289 2.824 10 30 BFEERN C/C=C/C(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000685959058 538906370 /nfs/dbraw/zinc/90/63/70/538906370.db2.gz JNGFEYNMFFQSAB-AATRIKPKSA-N 0 0 239.315 2.579 10 30 BFEERN Cc1cc(C)nc(Sc2ccnc(C#N)c2)n1 ZINC000061815549 177947801 /nfs/dbraw/zinc/94/78/01/177947801.db2.gz LCJZYUCRDBYHMD-UHFFFAOYSA-N 0 0 242.307 2.511 10 30 BFEERN O=C(/C=C/Cl)c1cccc(F)c1F ZINC000575517074 398173748 /nfs/dbraw/zinc/17/37/48/398173748.db2.gz ISIDZUAEMLERQO-SNAWJCMRSA-N 0 0 202.587 2.900 10 30 BFEERN CC/C(=N/O)c1cc(Br)ccc1O ZINC000307579863 398176718 /nfs/dbraw/zinc/17/67/18/398176718.db2.gz QHRKZFBAWGADAA-FLIBITNWSA-N 0 0 244.088 2.743 10 30 BFEERN CSc1ccccc1NC(=O)[C@H](C)S ZINC000232280687 398166447 /nfs/dbraw/zinc/16/64/47/398166447.db2.gz KTOYWSAOJLUFDS-ZETCQYMHSA-N 0 0 227.354 2.665 10 30 BFEERN Cc1cc(N(C)c2cccc(C#N)c2)nc(C)n1 ZINC000061957369 178102333 /nfs/dbraw/zinc/10/23/33/178102333.db2.gz LQRIUXWDJGAXJF-UHFFFAOYSA-N 0 0 238.294 2.733 10 30 BFEERN Cc1cc(N(CCC#N)C(C)C)ccc1N ZINC000042528842 178102430 /nfs/dbraw/zinc/10/24/30/178102430.db2.gz FBMGYNCLGNGBJI-UHFFFAOYSA-N 0 0 217.316 2.706 10 30 BFEERN CC[C@@]1(C#N)COc2c(C)ccc(C)c2O1 ZINC000536954059 398198132 /nfs/dbraw/zinc/19/81/32/398198132.db2.gz JYRKGYFTAZCESV-CYBMUJFWSA-N 0 0 217.268 2.747 10 30 BFEERN Cc1ccc([C@@H](C)NC[C@H](C#N)CCC#N)o1 ZINC000182565886 136219226 /nfs/dbraw/zinc/21/92/26/136219226.db2.gz GVARCWUXFLFNFS-NEPJUHHUSA-N 0 0 231.299 2.682 10 30 BFEERN Cc1cc(NCCc2ccco2)c(C#N)c(C)n1 ZINC000127346150 178162773 /nfs/dbraw/zinc/16/27/73/178162773.db2.gz WBMDHWICQFTRCE-UHFFFAOYSA-N 0 0 241.294 2.818 10 30 BFEERN N#Cc1cc(N)c(Cl)c(C(F)(F)F)c1 ZINC000306605610 398221831 /nfs/dbraw/zinc/22/18/31/398221831.db2.gz PYTHODSWMQWSKF-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN Cc1cnc([C@H](C)Nc2cc(C)nc(C#N)c2)o1 ZINC000308271593 178180743 /nfs/dbraw/zinc/18/07/43/178180743.db2.gz AXBSDLOHWMAADD-JTQLQIEISA-N 0 0 242.282 2.731 10 30 BFEERN Cc1cc([C@@H](C#N)NCC2CC2)ccc1F ZINC000050558961 178219374 /nfs/dbraw/zinc/21/93/74/178219374.db2.gz PQKZLYSUFASBQV-CYBMUJFWSA-N 0 0 218.275 2.698 10 30 BFEERN C=C1CCC[C@]2(C)C[C@@]3(O)OC(=O)C(C)=C3C[C@@H]12 ZINC000014452262 192036002 /nfs/dbraw/zinc/03/60/02/192036002.db2.gz FBMORZZOJSDNRQ-NILFDRSVSA-N 0 0 248.322 2.705 10 30 BFEERN Cc1cc([C@H](C#N)NC(C)C)cc(C)c1O ZINC000034973798 178243980 /nfs/dbraw/zinc/24/39/80/178243980.db2.gz KNLSIOIISAMIBV-LBPRGKRZSA-N 0 0 218.300 2.572 10 30 BFEERN Cc1cc2c(Cl)c(C#N)c[nH]c-2cc1=O ZINC000095937921 178277882 /nfs/dbraw/zinc/27/78/82/178277882.db2.gz NWMSCZXQSZNRDT-UHFFFAOYSA-N 0 0 218.643 2.774 10 30 BFEERN Cc1cc2c(c(C#N)c1C)NC=N[C@H]2C1CC1 ZINC000027872868 178281614 /nfs/dbraw/zinc/28/16/14/178281614.db2.gz OKBSGXDWLMAIAT-ZDUSSCGKSA-N 0 0 225.295 2.889 10 30 BFEERN Cc1cc2c(c(C#N)c1C)NC=N[C@@H]2C1CC1 ZINC000027872862 178281704 /nfs/dbraw/zinc/28/17/04/178281704.db2.gz OKBSGXDWLMAIAT-CYBMUJFWSA-N 0 0 225.295 2.889 10 30 BFEERN Cc1cc(NCc2ccncc2)c(C#N)c(C)n1 ZINC000157383212 398250055 /nfs/dbraw/zinc/25/00/55/398250055.db2.gz CKRDPXFWMHALDE-UHFFFAOYSA-N 0 0 238.294 2.577 10 30 BFEERN Cc1cc2ncn(-c3cc(C#N)ccn3)c2cc1C ZINC000019481929 178306118 /nfs/dbraw/zinc/30/61/18/178306118.db2.gz DNQDVHAPJZVOSQ-UHFFFAOYSA-N 0 0 248.289 2.909 10 30 BFEERN CCC(CC)N(C)C(=O)C(C#N)(CC)CC ZINC000044765845 168367042 /nfs/dbraw/zinc/36/70/42/168367042.db2.gz ICDHUIAXOJSLRY-UHFFFAOYSA-N 0 0 224.348 2.963 10 30 BFEERN Cc1ccc(-c2ccc(C#N)c(N)n2)cc1 ZINC000039208996 178322715 /nfs/dbraw/zinc/32/27/15/178322715.db2.gz CKCLQEUAXNQHCH-UHFFFAOYSA-N 0 0 209.252 2.511 10 30 BFEERN Cc1ccc(C#N)c(N2CC[C@H](C)C2)c1 ZINC000051597886 178362898 /nfs/dbraw/zinc/36/28/98/178362898.db2.gz VUUMXRNPILTMMZ-NSHDSACASA-N 0 0 200.285 2.713 10 30 BFEERN Cc1ccc(C(=O)N(CC#N)C(C)C)cc1C ZINC000057518596 178380732 /nfs/dbraw/zinc/38/07/32/178380732.db2.gz OJELXKGOCQIESX-UHFFFAOYSA-N 0 0 230.311 2.678 10 30 BFEERN C#CCC(=O)c1ccc(Br)cc1 ZINC000051074302 346826351 /nfs/dbraw/zinc/82/63/51/346826351.db2.gz BFKJUIQZCIOQIF-UHFFFAOYSA-N 0 0 223.069 2.655 10 30 BFEERN C#CC[C@H](O)c1cccc(Br)c1 ZINC000051074409 346827320 /nfs/dbraw/zinc/82/73/20/346827320.db2.gz PSUDKKWCQRBNMZ-JTQLQIEISA-N 0 0 225.085 2.506 10 30 BFEERN CCC(CC)N(CCOC)c1ncccc1C#N ZINC000042681508 168376053 /nfs/dbraw/zinc/37/60/53/168376053.db2.gz WEQFFPQZCSKMIF-UHFFFAOYSA-N 0 0 247.342 2.595 10 30 BFEERN CCOC(=O)N1CC[C@@H](c2ccccc2C#N)C1 ZINC000616613101 349588935 /nfs/dbraw/zinc/58/89/35/349588935.db2.gz LGCWRAUSPZKTPJ-GFCCVEGCSA-N 0 0 244.294 2.504 10 30 BFEERN CC(=O)c1ccc(C#N)c(N[C@H]2C[C@H]2C)c1 ZINC000273192719 398280055 /nfs/dbraw/zinc/28/00/55/398280055.db2.gz JIUPATLNUUFCDC-PELKAZGASA-N 0 0 214.268 2.581 10 30 BFEERN O=C1C=CC(O)(c2cccc3ccccc32)C=C1 ZINC000006584190 342779849 /nfs/dbraw/zinc/77/98/49/342779849.db2.gz ITXIUDRPLIRKEQ-UHFFFAOYSA-N 0 0 236.270 2.723 10 30 BFEERN N#C[C@]1(Cc2ccc(F)cc2)CCCC1=O ZINC000083776724 398285436 /nfs/dbraw/zinc/28/54/36/398285436.db2.gz DESPVLOOVFWUNZ-CYBMUJFWSA-N 0 0 217.243 2.631 10 30 BFEERN C#Cc1cccc(NC(=O)N[C@H](C)C(C)C)c1 ZINC000043986186 538986022 /nfs/dbraw/zinc/98/60/22/538986022.db2.gz LYHMPKROSYOHRW-LLVKDONJSA-N 0 0 230.311 2.834 10 30 BFEERN Cc1cc(Br)c(C)c(C#N)c1 ZINC000038951836 344006505 /nfs/dbraw/zinc/00/65/05/344006505.db2.gz WCMGKJFPORTUDL-UHFFFAOYSA-N 0 0 210.074 2.938 10 30 BFEERN Cc1nc(C(F)(F)F)c(CS)s1 ZINC000725244920 539026790 /nfs/dbraw/zinc/02/67/90/539026790.db2.gz ZIYXTIBTUZXVRG-UHFFFAOYSA-N 0 0 213.249 2.900 10 30 BFEERN N#Cc1ccc(-c2n[nH]cc2Br)cc1 ZINC000042415142 361998486 /nfs/dbraw/zinc/99/84/86/361998486.db2.gz ZDCIIWLZWMINCJ-UHFFFAOYSA-N 0 0 248.083 2.711 10 30 BFEERN CCC[C@@H]([NH3+])C#Cc1ccc(Cl)s1 ZINC000229906311 342854580 /nfs/dbraw/zinc/85/45/80/342854580.db2.gz MGDPNMRSMJMPMQ-MRVPVSSYSA-N 0 0 213.733 2.880 10 30 BFEERN CC[C@H]([NH3+])C#Cc1sccc1Br ZINC000229906421 342854605 /nfs/dbraw/zinc/85/46/05/342854605.db2.gz ZATZWAKYEWLQHV-ZETCQYMHSA-N 0 0 244.157 2.599 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1cc(C#N)cc(C)n1 ZINC000233429097 342861236 /nfs/dbraw/zinc/86/12/36/342861236.db2.gz YRAKTIJNRPOXMI-NWDGAFQWSA-N 0 0 215.300 2.862 10 30 BFEERN C#C[C@H](CC)Nc1nc(Br)cs1 ZINC000229998710 342862836 /nfs/dbraw/zinc/86/28/36/342862836.db2.gz JSDFVOVPNYCNKD-ZCFIWIBFSA-N 0 0 245.145 2.729 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1snc(C)c1C#N ZINC000233442783 342863094 /nfs/dbraw/zinc/86/30/94/342863094.db2.gz WDMMQGZEHKCLFU-WCBMZHEXSA-N 0 0 221.329 2.924 10 30 BFEERN CC(C)(C)C(=O)c1ccc(C#N)c(F)c1 ZINC000308799209 342871987 /nfs/dbraw/zinc/87/19/87/342871987.db2.gz LVNAEPIKTLOZGE-UHFFFAOYSA-N 0 0 205.232 2.926 10 30 BFEERN C/C=C/C(=O)c1cc(F)c(F)c(OC)c1 ZINC000308816120 342873362 /nfs/dbraw/zinc/87/33/62/342873362.db2.gz VOICOMIAALGNQD-ONEGZZNKSA-N 0 0 212.195 2.732 10 30 BFEERN Cc1ccc(CN[C@@H]2CCC[C@H]2C#N)c(F)c1 ZINC000602608182 349631137 /nfs/dbraw/zinc/63/11/37/349631137.db2.gz QKQFIUFLVWLTKP-SMDDNHRTSA-N 0 0 232.302 2.916 10 30 BFEERN C#CCOc1c(F)cc(F)cc1Br ZINC000165188309 342880747 /nfs/dbraw/zinc/88/07/47/342880747.db2.gz UCDLNAUHOAKGEW-UHFFFAOYSA-N 0 0 247.038 2.739 10 30 BFEERN N#Cc1cc(OC(F)(F)F)nc(C(F)F)c1 ZINC000309182284 342903971 /nfs/dbraw/zinc/90/39/71/342903971.db2.gz FGAWFUUIMKUSEC-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN C#Cc1sc2nc3c(cc2c1N)CCCC3 ZINC000575434317 398327859 /nfs/dbraw/zinc/32/78/59/398327859.db2.gz NFESRVBCIVRXFT-UHFFFAOYSA-N 0 0 228.320 2.739 10 30 BFEERN Cc1cc(-c2ccccc2)nnc1/N=C/N(C)C ZINC000117003777 343121018 /nfs/dbraw/zinc/12/10/18/343121018.db2.gz OLZLWSCBQZVORP-XNTDXEJSSA-N 0 0 240.310 2.673 10 30 BFEERN CC1CCC(NC(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000360081216 136268453 /nfs/dbraw/zinc/26/84/53/136268453.db2.gz DGPJXHLCRGBAMB-PYNQCMFNSA-N 0 0 249.358 2.557 10 30 BFEERN C[C@@H](C#N)Sc1c(F)cc(N)cc1F ZINC000043519238 343117421 /nfs/dbraw/zinc/11/74/21/343117421.db2.gz MAMRBIJDGOYLQC-YFKPBYRVSA-N 0 0 214.240 2.551 10 30 BFEERN CC[C@@H](C#N)Sc1ccc(N)cc1F ZINC000043542950 343135913 /nfs/dbraw/zinc/13/59/13/343135913.db2.gz BDBSXBPPXCITML-QMMMGPOBSA-N 0 0 210.277 2.802 10 30 BFEERN OCC#Cc1c(Cl)cc(Cl)cc1Cl ZINC000162240554 343205373 /nfs/dbraw/zinc/20/53/73/343205373.db2.gz MNVDJUIKGVCTIO-UHFFFAOYSA-N 0 0 235.497 2.991 10 30 BFEERN C[C@@H]1CCC[C@H](CC(=O)N[C@@H](C#N)C2CC2)C1 ZINC000108827317 136274008 /nfs/dbraw/zinc/27/40/08/136274008.db2.gz VNXPCFAPYMDOEH-MDZLAQPJSA-N 0 0 234.343 2.621 10 30 BFEERN O=[N+]([O-])c1ccc(/N=C/c2ccccn2)cc1 ZINC000032078010 343228913 /nfs/dbraw/zinc/22/89/13/343228913.db2.gz SPPXMZPDUMPGQM-NTEUORMPSA-N 0 0 227.223 2.740 10 30 BFEERN C[C@@H](CC#N)N(C)c1cc(Cl)nnc1Cl ZINC000127130293 343236256 /nfs/dbraw/zinc/23/62/56/343236256.db2.gz LMJDIDBUQVXDHA-LURJTMIESA-N 0 0 245.113 2.522 10 30 BFEERN C#CC[C@@H](O)c1ccc(Br)cc1 ZINC000051074383 343250584 /nfs/dbraw/zinc/25/05/84/343250584.db2.gz CFWCQNUGZLIQIC-SNVBAGLBSA-N 0 0 225.085 2.506 10 30 BFEERN C[Si](C)(C)C#Cc1c[nH]c2ncccc12 ZINC000238516934 343257858 /nfs/dbraw/zinc/25/78/58/343257858.db2.gz DSPUIIQVGRHEAP-UHFFFAOYSA-N 0 0 214.344 2.792 10 30 BFEERN N#Cc1ccc2c(c1)C(=O)c1ccccc1CO2 ZINC000139118474 343277229 /nfs/dbraw/zinc/27/72/29/343277229.db2.gz JPSANPLWEXUCLS-UHFFFAOYSA-N 0 0 235.242 2.682 10 30 BFEERN CCOc1cccc2c(CC#N)c[nH]c21 ZINC000035635644 343300839 /nfs/dbraw/zinc/30/08/39/343300839.db2.gz YDQTYRBFKNKLHB-UHFFFAOYSA-N 0 0 200.241 2.633 10 30 BFEERN CC[C@@H](CC#N)n1cc(Br)cn1 ZINC000038054267 343368364 /nfs/dbraw/zinc/36/83/64/343368364.db2.gz MVAGOGFMNRISSJ-QMMMGPOBSA-N 0 0 228.093 2.510 10 30 BFEERN C/C(=C1/Oc2cccc(O)c2C1=O)C1CC1 ZINC000039097755 343382354 /nfs/dbraw/zinc/38/23/54/343382354.db2.gz KATHWWQUJCCCKG-QPEQYQDCSA-N 0 0 216.236 2.651 10 30 BFEERN CCC1=C2CC[C@@H](O)[C@@]2(CC)CCC1=O ZINC000039101307 343383922 /nfs/dbraw/zinc/38/39/22/343383922.db2.gz LNGPKMOFLQZGOQ-OLZOCXBDSA-N 0 0 208.301 2.607 10 30 BFEERN COc1cc(C[N@@H+]2C[C@H]3CCC[C@H]32)ccc1C#N ZINC000335737089 136350850 /nfs/dbraw/zinc/35/08/50/136350850.db2.gz RCXCMPQXBRRODU-ZIAGYGMSSA-N 0 0 242.322 2.551 10 30 BFEERN Cc1cnc(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)o1 ZINC000329344319 136365279 /nfs/dbraw/zinc/36/52/79/136365279.db2.gz UFNOUDWOAXMLJL-NXEZZACHSA-N 0 0 238.287 2.632 10 30 BFEERN CC(C)C1(NC(=O)[C@@H]2CCCC(=O)N2)CC1 ZINC000329339263 136365295 /nfs/dbraw/zinc/36/52/95/136365295.db2.gz NNOZVNUEKZBBSV-VIFPVBQESA-N 0 0 224.304 2.641 10 30 BFEERN C[C@H](C#N)Sc1ccccc1[N+](=O)[O-] ZINC000043522801 343476708 /nfs/dbraw/zinc/47/67/08/343476708.db2.gz WDAOTTPUBPJBRY-SSDOTTSWSA-N 0 0 208.242 2.599 10 30 BFEERN C[C@H](C#N)c1ccc2nc(N)sc2c1 ZINC000045236980 343526763 /nfs/dbraw/zinc/52/67/63/343526763.db2.gz IHEABMHIKCSNJG-ZCFIWIBFSA-N 0 0 203.270 2.506 10 30 BFEERN N#Cc1nc(C#N)c(Cl)c(Cl)c1Cl ZINC000038887823 343578410 /nfs/dbraw/zinc/57/84/10/343578410.db2.gz ZVOWUYIDRJPVTD-UHFFFAOYSA-N 0 0 232.457 2.785 10 30 BFEERN C#CC[C@H](O)C1(Cc2cccs2)CCC1 ZINC000167484735 343594738 /nfs/dbraw/zinc/59/47/38/343594738.db2.gz LATIKSOOTLUITP-LBPRGKRZSA-N 0 0 220.337 2.845 10 30 BFEERN N#Cc1cc(C(F)F)cc(OC(F)(F)F)n1 ZINC000309498033 343620829 /nfs/dbraw/zinc/62/08/29/343620829.db2.gz FSDUGFAFKKOIIG-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN CC(C)(C)c1cc([N+](=O)[O-])ccc1C#N ZINC000204884974 343600848 /nfs/dbraw/zinc/60/08/48/343600848.db2.gz AFVPXZQTPSJUSJ-UHFFFAOYSA-N 0 0 204.229 2.764 10 30 BFEERN CC=C=CC(=O)c1nscc1Br ZINC000404762993 343606658 /nfs/dbraw/zinc/60/66/58/343606658.db2.gz KDTYOBFQQJSORS-UHFFFAOYSA-N 0 0 244.113 2.502 10 30 BFEERN N#Cc1cnc(C(F)F)c(OC(F)(F)F)c1 ZINC000309509928 343643332 /nfs/dbraw/zinc/64/33/32/343643332.db2.gz OSUUVDHCEZHWCF-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN C[C@H](C#N)C(=O)c1cc(F)c(Cl)cc1F ZINC000135046895 343625785 /nfs/dbraw/zinc/62/57/85/343625785.db2.gz JQPBHARPXGJEOV-RXMQYKEDSA-N 0 0 229.613 2.961 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@]12CCCC[C@H]2C(C)C ZINC000300024018 537801805 /nfs/dbraw/zinc/80/18/05/537801805.db2.gz FBGJHESYLGDVBU-DLOVCJGASA-N 0 0 246.734 2.710 10 30 BFEERN CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C=C2OC1=O ZINC000096023843 290699493 /nfs/dbraw/zinc/69/94/93/290699493.db2.gz HCWOSGGWMYYACF-SWLSCSKDSA-N 0 0 244.290 2.689 10 30 biogenic BFEERN C=C[C@@H](C)Nc1ncc2ccsc2n1 ZINC000306223665 343763507 /nfs/dbraw/zinc/76/35/07/343763507.db2.gz SMBQOKSGBSCLAR-SSDOTTSWSA-N 0 0 205.286 2.678 10 30 BFEERN C[C@@H](NCC#CC(C)(C)C)C(C)(F)F ZINC000306563653 343854549 /nfs/dbraw/zinc/85/45/49/343854549.db2.gz VVOPZRYJIFXSIT-SECBINFHSA-N 0 0 203.276 2.669 10 30 BFEERN CC(C)Cc1[nH]nc(C2CC2)c1CCC#N ZINC000409441606 343860132 /nfs/dbraw/zinc/86/01/32/343860132.db2.gz SDDSYEVFGMOSOJ-UHFFFAOYSA-N 0 0 217.316 2.942 10 30 BFEERN C#CCn1nc(C(F)(F)F)cc1C(C)C ZINC000409443824 343862864 /nfs/dbraw/zinc/86/28/64/343862864.db2.gz UZHCVVKRACBREH-UHFFFAOYSA-N 0 0 216.206 2.659 10 30 BFEERN Cc1cc([N+](=O)[O-])c(Cl)cc1CC#N ZINC000159258584 349892955 /nfs/dbraw/zinc/89/29/55/349892955.db2.gz ZMMRMCVKYURZEQ-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN C=C(C)[C@H](NC)c1ccoc1Br ZINC000234403348 343963997 /nfs/dbraw/zinc/96/39/97/343963997.db2.gz NJAATXUBWXMMOR-QMMMGPOBSA-N 0 0 230.105 2.879 10 30 BFEERN Cc1ccc(CN[C@H]2CCCC[C@H]2C#N)o1 ZINC000054829810 178633631 /nfs/dbraw/zinc/63/36/31/178633631.db2.gz WWLYLELORLOXRV-AAEUAGOBSA-N 0 0 218.300 2.760 10 30 BFEERN Cc1cc(F)cnc1C#Cc1ccccc1 ZINC000585145154 344179815 /nfs/dbraw/zinc/17/98/15/344179815.db2.gz ZSJOLEGIEJFEDF-UHFFFAOYSA-N 0 0 211.239 2.929 10 30 BFEERN C[C@@H]1C[C@@H]1CNc1c(Cl)nsc1C#N ZINC000306432926 344182404 /nfs/dbraw/zinc/18/24/04/344182404.db2.gz VFZVZHSEIJKUEG-PHDIDXHHSA-N 0 0 227.720 2.736 10 30 BFEERN Cc1ccc(CN[C@H]2CCCC[C@@H]2C#N)cn1 ZINC000062053079 344305331 /nfs/dbraw/zinc/30/53/31/344305331.db2.gz QVKXRNVDLZOVDQ-KGLIPLIRSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1cc(Br)cc(C#N)c1[N+](=O)[O-] ZINC000306714574 344411539 /nfs/dbraw/zinc/41/15/39/344411539.db2.gz FDMHVLMFEUJPQA-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN N#Cc1cc(-c2cccs2)nc(C2CC2)n1 ZINC000409437621 344462321 /nfs/dbraw/zinc/46/23/21/344462321.db2.gz HUOPGOXOWPEHNJ-UHFFFAOYSA-N 0 0 227.292 2.954 10 30 BFEERN Cc1ccc(-n2ncc(C#N)c2-n2cccc2)cc1 ZINC000409434274 344462992 /nfs/dbraw/zinc/46/29/92/344462992.db2.gz DVRZFIYOZRCSDU-UHFFFAOYSA-N 0 0 248.289 2.843 10 30 BFEERN CC(C)Cc1[nH]nc(C2CCC2)c1C#N ZINC000409442146 344466487 /nfs/dbraw/zinc/46/64/87/344466487.db2.gz WZWAVDXLDFPWGP-UHFFFAOYSA-N 0 0 203.289 2.747 10 30 BFEERN N#C[C@H]1CCC[C@H]1Nc1sccc1[N+](=O)[O-] ZINC000381573547 344522301 /nfs/dbraw/zinc/52/23/01/344522301.db2.gz YPTROXVYBBDDRD-HTQZYQBOSA-N 0 0 237.284 2.760 10 30 BFEERN N#C[C@@]1(Br)CCc2ccccc21 ZINC000127592367 344569023 /nfs/dbraw/zinc/56/90/23/344569023.db2.gz HGHMITMIMWZTLT-JTQLQIEISA-N 0 0 222.085 2.747 10 30 BFEERN CC1(C)CC[C@@](Br)(C#N)C1 ZINC000127657545 344583771 /nfs/dbraw/zinc/58/37/71/344583771.db2.gz MXLWXLAJHDUTEK-QMMMGPOBSA-N 0 0 202.095 2.854 10 30 BFEERN N#CCc1cc(C#N)ccc1C(F)(F)F ZINC000396102715 344602972 /nfs/dbraw/zinc/60/29/72/344602972.db2.gz IZROFIJBLBJOLX-UHFFFAOYSA-N 0 0 210.158 2.643 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1NC(=O)c1cccs1 ZINC000259854386 344695042 /nfs/dbraw/zinc/69/50/42/344695042.db2.gz GEPQHCPHYMWVEH-ZJUUUORDSA-N 0 0 234.324 2.560 10 30 BFEERN C=CC[C@H](C)Nc1ncc(N)cc1Cl ZINC000235079319 344768646 /nfs/dbraw/zinc/76/86/46/344768646.db2.gz XTYUJACLPOQYKE-ZETCQYMHSA-N 0 0 211.696 2.694 10 30 BFEERN Cc1ccc(F)c(C(=O)[C@@H](C)CC#N)c1 ZINC000235086984 344775515 /nfs/dbraw/zinc/77/55/15/344775515.db2.gz KSAZOBZNQOCJKN-VIFPVBQESA-N 0 0 205.232 2.867 10 30 BFEERN CCc1ccc(C(=O)c2ccc(C#N)cc2)[nH]1 ZINC000039102492 344847101 /nfs/dbraw/zinc/84/71/01/344847101.db2.gz HYMIRLPQMORHNE-UHFFFAOYSA-N 0 0 224.263 2.680 10 30 BFEERN CCCCC[C@@]1(C)O[C@]1(C(=O)OC)C(C)C ZINC000087649345 537867608 /nfs/dbraw/zinc/86/76/08/537867608.db2.gz XRNGTOYHQOFQRI-OLZOCXBDSA-N 0 0 228.332 2.923 10 30 BFEERN C[C@@H](S)C(=O)Nc1c(F)cccc1Cl ZINC000235294809 344875537 /nfs/dbraw/zinc/87/55/37/344875537.db2.gz GXAZCGLYKSXQIX-RXMQYKEDSA-N 0 0 233.695 2.736 10 30 BFEERN Cc1nc(C[C@@]2(C#N)CCCS2)cs1 ZINC000166453800 344900890 /nfs/dbraw/zinc/90/08/90/344900890.db2.gz UNVNXRPHKYAPGW-SNVBAGLBSA-N 0 0 224.354 2.783 10 30 BFEERN N#C[C@]1(CC[C@H]2CCCO2)CCCS1 ZINC000166460214 344901028 /nfs/dbraw/zinc/90/10/28/344901028.db2.gz MPDKIYIFZKBFCQ-GHMZBOCLSA-N 0 0 211.330 2.735 10 30 BFEERN C[C@@](O)(CC#N)Cc1ccc(Cl)cc1 ZINC000235419420 344906354 /nfs/dbraw/zinc/90/63/54/344906354.db2.gz GYRCZZGRBIIEHL-LLVKDONJSA-N 0 0 209.676 2.547 10 30 BFEERN CCC1=C2CC[C@H](O)[C@@]2(CC)CCC1=O ZINC000039101306 168508658 /nfs/dbraw/zinc/50/86/58/168508658.db2.gz LNGPKMOFLQZGOQ-STQMWFEESA-N 0 0 208.301 2.607 10 30 BFEERN Cc1ccc(C#N)c(C)c1Br ZINC000238541875 345073583 /nfs/dbraw/zinc/07/35/83/345073583.db2.gz RACXKBCYIORFCZ-UHFFFAOYSA-N 0 0 210.074 2.938 10 30 BFEERN C[C@@H](C#N)Oc1cccc(Br)c1 ZINC000011944476 345081790 /nfs/dbraw/zinc/08/17/90/345081790.db2.gz DRMNFZDLHCNANJ-ZETCQYMHSA-N 0 0 226.073 2.740 10 30 BFEERN C[C@@H](C#N)Oc1ccc(F)cc1Br ZINC000011944741 345081882 /nfs/dbraw/zinc/08/18/82/345081882.db2.gz AJBVWSQTPCMZEO-LURJTMIESA-N 0 0 244.063 2.879 10 30 BFEERN C[C@H]1CC[C@@H](c2ncc(C#N)c(Cl)n2)C1 ZINC000307195079 345164584 /nfs/dbraw/zinc/16/45/84/345164584.db2.gz QSBBWTWXAZKLCK-JGVFFNPUSA-N 0 0 221.691 2.905 10 30 BFEERN Cc1ccc([C@@H](C#N)C(=O)[C@H]2CCCOC2)cc1 ZINC000062236237 178830305 /nfs/dbraw/zinc/83/03/05/178830305.db2.gz WNBSPZGIWILSLF-UONOGXRCSA-N 0 0 243.306 2.598 10 30 BFEERN C=C(C)CC(=O)[C@@H]1CNc2ccccc21 ZINC000226735039 345239464 /nfs/dbraw/zinc/23/94/64/345239464.db2.gz QGTAKHVOIFNNGA-LLVKDONJSA-N 0 0 201.269 2.731 10 30 BFEERN Cc1ccc([C@H]2CN(CCCCC#N)CCO2)o1 ZINC000158905354 345389303 /nfs/dbraw/zinc/38/93/03/345389303.db2.gz RECBTTNOWWHSIE-CQSZACIVSA-N 0 0 248.326 2.655 10 30 BFEERN CC[C@](C)(C#N)C(=O)N[C@H](C)c1ccc(C)o1 ZINC000136209773 345488061 /nfs/dbraw/zinc/48/80/61/345488061.db2.gz USHFEIFLITUTCH-ZWNOBZJWSA-N 0 0 234.299 2.705 10 30 BFEERN Cc1c(C)c(C#CC(F)(F)F)ccc1N ZINC000675079230 537900981 /nfs/dbraw/zinc/90/09/81/537900981.db2.gz RTAFOVGDSKCNQH-UHFFFAOYSA-N 0 0 213.202 2.799 10 30 BFEERN CC(C)(C#N)N1Cc2ccccc2C2(CC2)C1 ZINC000336136787 534999576 /nfs/dbraw/zinc/99/95/76/534999576.db2.gz MWGGJCKMQTUXCY-UHFFFAOYSA-N 0 0 226.323 2.836 10 30 BFEERN CC(C)(C#N)N1CCO[C@@H](C2CCCCC2)C1 ZINC000336136723 534999682 /nfs/dbraw/zinc/99/96/82/534999682.db2.gz FXSYEKIRRCSTNM-CYBMUJFWSA-N 0 0 236.359 2.570 10 30 BFEERN N#Cc1cn(C2CCC2)c2cc(O)ccc12 ZINC000114137035 345755998 /nfs/dbraw/zinc/75/59/98/345755998.db2.gz VAPHNCCARWEQDJ-UHFFFAOYSA-N 0 0 212.252 2.944 10 30 BFEERN N#Cc1cc(F)c(Br)s1 ZINC000307533080 345808592 /nfs/dbraw/zinc/80/85/92/345808592.db2.gz NUIQMVBQSFIGEQ-UHFFFAOYSA-N 0 0 206.039 2.521 10 30 BFEERN C=CCc1c(OC)cccc1C(=O)OCC ZINC000034017305 345815382 /nfs/dbraw/zinc/81/53/82/345815382.db2.gz JPXMZDZOZDLEAM-UHFFFAOYSA-N 0 0 220.268 2.600 10 30 BFEERN C=C[C@@H]1CC[C@@](CC)(CC(=O)OC)C(=O)C1 ZINC000034246805 345820272 /nfs/dbraw/zinc/82/02/72/345820272.db2.gz OODMXCJPVZQLIA-MFKMUULPSA-N 0 0 224.300 2.501 10 30 BFEERN CC#CCCC(=O)c1cc(F)ccc1F ZINC000163885975 345781062 /nfs/dbraw/zinc/78/10/62/345781062.db2.gz SMYZVMXNUBYEBQ-UHFFFAOYSA-N 0 0 208.207 2.951 10 30 BFEERN C#CC[C@@H](C)Nc1ccncc1Br ZINC000164040506 345782177 /nfs/dbraw/zinc/78/21/77/345782177.db2.gz ROVMQNGPKSLLPR-MRVPVSSYSA-N 0 0 239.116 2.668 10 30 BFEERN C=CCCCC(=O)COc1ccccc1 ZINC000070593550 345789645 /nfs/dbraw/zinc/78/96/45/345789645.db2.gz KQIAYSJRIPXNEU-UHFFFAOYSA-N 0 0 204.269 2.991 10 30 BFEERN CCCC/C(=N/C(=O)OCC)OCC ZINC000141746950 345850827 /nfs/dbraw/zinc/85/08/27/345850827.db2.gz IQMPQNAGKOWRFG-LUAWRHEFSA-N 0 0 201.266 2.768 10 30 BFEERN C=CCc1cc2c(cc1O)C(C)(C)[C@@H](CCO)O2 ZINC000034490744 345835669 /nfs/dbraw/zinc/83/56/69/345835669.db2.gz CPDKGVZGVIYGJH-CQSZACIVSA-N 0 0 248.322 2.542 10 30 BFEERN Cc1ccccc1NC(=O)/N=C1/CCCN1C ZINC000143108604 345891301 /nfs/dbraw/zinc/89/13/01/345891301.db2.gz AOUAHDPIQAVTPT-QINSGFPZSA-N 0 0 231.299 2.651 10 30 BFEERN [O-]/N=C1\c2ccccc2CC[C@H]1Br ZINC000145503988 345938028 /nfs/dbraw/zinc/93/80/28/345938028.db2.gz QVJDMAHGIQELJJ-UUOLZROSSA-N 0 0 240.100 2.575 10 30 BFEERN Cc1ccc2nc(NCCC#N)sc2c1 ZINC000003161449 178979768 /nfs/dbraw/zinc/97/97/68/178979768.db2.gz PIOIZNMACWAUCZ-UHFFFAOYSA-N 0 0 217.297 2.930 10 30 BFEERN Cc1coc(S[C@H]2CCC[C@@H]2C#N)n1 ZINC000235942268 346173379 /nfs/dbraw/zinc/17/33/79/346173379.db2.gz AYYSBPUIXSOJKZ-BDAKNGLRSA-N 0 0 208.286 2.767 10 30 BFEERN O=C(CCS)Nc1cc(Cl)ccc1F ZINC000236151738 346200389 /nfs/dbraw/zinc/20/03/89/346200389.db2.gz MZADPKWSRAVNGU-UHFFFAOYSA-N 0 0 233.695 2.738 10 30 BFEERN Cc1cccc(-c2cnn(CCC#N)c2)c1 ZINC000049814977 178994656 /nfs/dbraw/zinc/99/46/56/178994656.db2.gz WJXNMMXFFUVZDA-UHFFFAOYSA-N 0 0 211.268 2.772 10 30 BFEERN C=C(Cl)CN(C)c1ccc(C#N)cc1 ZINC000061956363 346183568 /nfs/dbraw/zinc/18/35/68/346183568.db2.gz XBDCNLXEXCUSNA-UHFFFAOYSA-N 0 0 206.676 2.747 10 30 BFEERN C=CC(=O)Cc1ccc(Br)cc1F ZINC000236138156 346197297 /nfs/dbraw/zinc/19/72/97/346197297.db2.gz SPSPCLMHBZEHQG-UHFFFAOYSA-N 0 0 243.075 2.886 10 30 BFEERN N#Cc1c(N)cc(Cl)c(F)c1Cl ZINC000236325615 346226137 /nfs/dbraw/zinc/22/61/37/346226137.db2.gz SUYCQBBEUPVPSI-UHFFFAOYSA-N 0 0 205.019 2.586 10 30 BFEERN O=C(CCS)NC1CCCCCCC1 ZINC000236567495 346251415 /nfs/dbraw/zinc/25/14/15/346251415.db2.gz KYFPIJKXIUZLDF-UHFFFAOYSA-N 0 0 215.362 2.535 10 30 BFEERN O=CCCSc1ccc2c(c1)CCC2 ZINC000062546855 346278489 /nfs/dbraw/zinc/27/84/89/346278489.db2.gz WQNIWZOWHIRNKU-UHFFFAOYSA-N 0 0 206.310 2.856 10 30 BFEERN Cc1cccc(C)c1OCCCC/C(N)=N/O ZINC000049580418 179046794 /nfs/dbraw/zinc/04/67/94/179046794.db2.gz LERHKMDAPYBAPD-UHFFFAOYSA-N 0 0 236.315 2.599 10 30 BFEERN O/N=C1\c2cccnc2CCc2c(F)cccc21 ZINC000165738394 346657167 /nfs/dbraw/zinc/65/71/67/346657167.db2.gz YMEGBUJTWIOOSO-VKAVYKQESA-N 0 0 242.253 2.546 10 30 BFEERN Cc1cc(C#N)cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000308103151 346657286 /nfs/dbraw/zinc/65/72/86/346657286.db2.gz HRZVKYQLYOSVLR-CLLJXQQHSA-N 0 0 240.306 2.851 10 30 BFEERN Cc1cccc(NC(=O)[C@@H](C#N)C(C)C)c1 ZINC000044812059 179137886 /nfs/dbraw/zinc/13/78/86/179137886.db2.gz DJDSMGHUESTLCM-LBPRGKRZSA-N 0 0 216.284 2.729 10 30 BFEERN Nc1cc(C#Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000115152202 346665354 /nfs/dbraw/zinc/66/53/54/346665354.db2.gz MGRDFALZEBPQSR-UHFFFAOYSA-N 0 0 238.246 2.577 10 30 BFEERN N#Cc1c(F)cccc1N1CC[C@H](C(F)F)C1 ZINC000588040664 346627625 /nfs/dbraw/zinc/62/76/25/346627625.db2.gz JONANOAUYGQOQH-QMMMGPOBSA-N 0 0 240.228 2.789 10 30 BFEERN N#C[C@]1(CC[C@@H]2CCCO2)CCCS1 ZINC000166460337 346676874 /nfs/dbraw/zinc/67/68/74/346676874.db2.gz MPDKIYIFZKBFCQ-WDEREUQCSA-N 0 0 211.330 2.735 10 30 BFEERN COc1ccccc1NC(C)=CC(C)=O ZINC000205522204 346678123 /nfs/dbraw/zinc/67/81/23/346678123.db2.gz MLIZMSOQKFNZNR-HJWRWDBZSA-N 0 0 205.257 2.600 10 30 BFEERN C=C(C(=O)OC)[C@H](O)c1cccc2ccccc21 ZINC000019835980 187370637 /nfs/dbraw/zinc/37/06/37/187370637.db2.gz FCFPKNIVVUFUBX-AWEZNQCLSA-N 0 0 242.274 2.602 10 30 BFEERN Cc1cccc([C@@H](C#N)NCC2CC2)c1 ZINC000037946716 179178726 /nfs/dbraw/zinc/17/87/26/179178726.db2.gz QKKVIDGNVNXDBG-CYBMUJFWSA-N 0 0 200.285 2.559 10 30 BFEERN C=CCN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)C(C)(C)C ZINC000250707491 362817384 /nfs/dbraw/zinc/81/73/84/362817384.db2.gz QNIOTFOIUQPYLS-ZSBIGDGJSA-N 0 0 221.344 2.846 10 30 BFEERN CCCC(=O)[C@@H](C#N)c1ccccc1C ZINC000036930488 168571454 /nfs/dbraw/zinc/57/14/54/168571454.db2.gz XYNGBXMTSLDHDD-LBPRGKRZSA-N 0 0 201.269 2.971 10 30 BFEERN Cc1ccccc1N=C1NC(=N)c2ccccc21 ZINC000008687708 179244881 /nfs/dbraw/zinc/24/48/81/179244881.db2.gz PSXFQOQXPFZDKL-UHFFFAOYSA-N 0 0 235.290 2.792 10 30 BFEERN CCCC(C#N)(CCC)C(=O)Nc1cnoc1 ZINC000061685518 168573054 /nfs/dbraw/zinc/57/30/54/168573054.db2.gz VIHRERUKBYHDML-UHFFFAOYSA-N 0 0 235.287 2.723 10 30 BFEERN Cc1cc(C#N)cc(N[C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000591991103 347720942 /nfs/dbraw/zinc/72/09/42/347720942.db2.gz PSGYVBLOMOKZLA-YNEHKIRRSA-N 0 0 227.311 2.862 10 30 BFEERN Cc1ccccc1C[C@@H]1COCC[C@H]1S ZINC000095090233 179289699 /nfs/dbraw/zinc/28/96/99/179289699.db2.gz YTLRIRTYWKQGOT-CHWSQXEVSA-N 0 0 222.353 2.872 10 30 BFEERN Cc1ccccc1C[C@H]1COCC[C@@H]1S ZINC000095090232 179291655 /nfs/dbraw/zinc/29/16/55/179291655.db2.gz YTLRIRTYWKQGOT-STQMWFEESA-N 0 0 222.353 2.872 10 30 BFEERN Cc1nsc(-c2ccc(CC#N)cc2)n1 ZINC000669380920 537992684 /nfs/dbraw/zinc/99/26/84/537992684.db2.gz SKJSMXKGQWZZLY-UHFFFAOYSA-N 0 0 215.281 2.580 10 30 BFEERN CCOc1ccc(C#CC(F)(F)F)cc1 ZINC000196323681 347867888 /nfs/dbraw/zinc/86/78/88/347867888.db2.gz PLJUCFDFYPHJKH-UHFFFAOYSA-N 0 0 214.186 2.999 10 30 BFEERN C[C@H](C#N)C(=O)c1ccccc1Br ZINC000036935062 347964052 /nfs/dbraw/zinc/96/40/52/347964052.db2.gz FHGVPROJBRTCGZ-SSDOTTSWSA-N 0 0 238.084 2.791 10 30 BFEERN Cc1ccccc1[C@H](C#N)NCC(C)C ZINC000019987173 179332916 /nfs/dbraw/zinc/33/29/16/179332916.db2.gz UICPDHOXNRVZHA-ZDUSSCGKSA-N 0 0 202.301 2.805 10 30 BFEERN N#C[C@@H]1CCC[C@H]1Sc1ccccn1 ZINC000037155191 348025489 /nfs/dbraw/zinc/02/54/89/348025489.db2.gz ARFBZQKGWVFQFF-VHSXEESVSA-N 0 0 204.298 2.866 10 30 BFEERN C#CCN[C@@H](C)c1sccc1Br ZINC000037184939 348054818 /nfs/dbraw/zinc/05/48/18/348054818.db2.gz GTFJZHOCRLWUEW-ZETCQYMHSA-N 0 0 244.157 2.794 10 30 BFEERN Cc1cccn2c(N)c(-c3cccc(C#N)c3)nc12 ZINC000104364339 179354923 /nfs/dbraw/zinc/35/49/23/179354923.db2.gz WTCIVANTMDTTGM-UHFFFAOYSA-N 0 0 248.289 2.764 10 30 BFEERN C=CCCC(=O)N[C@H](C)COCc1ccccc1 ZINC000172974322 187389901 /nfs/dbraw/zinc/38/99/01/187389901.db2.gz PBGPIVRRIHRYOJ-CYBMUJFWSA-N 0 0 247.338 2.674 10 30 BFEERN C=CC[C@H](C(=O)N[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000189063437 187391951 /nfs/dbraw/zinc/39/19/51/187391951.db2.gz SXWNSXBOHIFSOU-FPMFFAJLSA-N 0 0 229.323 2.871 10 30 BFEERN Cc1cccnc1CN[C@H]1CCCC[C@@H]1C#N ZINC000071340124 179385255 /nfs/dbraw/zinc/38/52/55/179385255.db2.gz JFFRDIMJPYHHJU-OLZOCXBDSA-N 0 0 229.327 2.562 10 30 BFEERN O=C1CCCCC(=O)C1=Cc1ccccc1 ZINC000204588489 348347655 /nfs/dbraw/zinc/34/76/55/348347655.db2.gz QEHOYZXLLKHAHX-UHFFFAOYSA-N 0 0 214.264 2.782 10 30 BFEERN Cc1ccn(-c2c(C#N)cnc3ccccc32)n1 ZINC000052884185 179399202 /nfs/dbraw/zinc/39/92/02/179399202.db2.gz VZNQGZWDVPXSLV-UHFFFAOYSA-N 0 0 234.262 2.601 10 30 BFEERN Cc1cn2c(C#N)c(C(F)(F)F)nc2s1 ZINC000095929644 179561601 /nfs/dbraw/zinc/56/16/01/179561601.db2.gz FCCHIHWFMCPHJF-UHFFFAOYSA-N 0 0 231.202 2.595 10 30 BFEERN COc1ccc(C#Cc2cccc(N)c2)cc1F ZINC000037547801 348848052 /nfs/dbraw/zinc/84/80/52/348848052.db2.gz PIAVFIWWAJWEQD-UHFFFAOYSA-N 0 0 241.265 2.816 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1NCc1cncc(Cl)c1 ZINC000598627365 349004795 /nfs/dbraw/zinc/00/47/95/349004795.db2.gz RGSLYQOYPLTOKI-YPMHNXCESA-N 0 0 249.745 2.907 10 30 BFEERN N#Cc1cccc(-c2nc3ccc(N)cc3o2)c1 ZINC000034940013 187420837 /nfs/dbraw/zinc/42/08/37/187420837.db2.gz VSVSINSFACBFGZ-UHFFFAOYSA-N 0 0 235.246 2.949 10 30 BFEERN COc1ccc([C@@H](C#N)C(=O)CC(C)C)cc1 ZINC000036931020 187422620 /nfs/dbraw/zinc/42/26/20/187422620.db2.gz PHNAECUEBZUNNL-CYBMUJFWSA-N 0 0 231.295 2.918 10 30 BFEERN Cc1c(C)c(OCC#N)ccc1Br ZINC000011834424 187414707 /nfs/dbraw/zinc/41/47/07/187414707.db2.gz BIBPNQCVUYPKGU-UHFFFAOYSA-N 0 0 240.100 2.968 10 30 BFEERN N#C[C@H](c1ccsc1)c1ccccn1 ZINC000015042113 187416445 /nfs/dbraw/zinc/41/64/45/187416445.db2.gz YFVRMVBPYQHUHS-SNVBAGLBSA-N 0 0 200.266 2.799 10 30 BFEERN C[C@]1(c2ccc(C(F)(F)F)cc2)CO1 ZINC000055032485 349083537 /nfs/dbraw/zinc/08/35/37/349083537.db2.gz NDMMVAQVPQYQDY-SECBINFHSA-N 0 0 202.175 2.951 10 30 BFEERN SCc1noc2c1CCc1sccc1-2 ZINC000725252410 538032913 /nfs/dbraw/zinc/03/29/13/538032913.db2.gz JQTWLTLQEOIHKU-UHFFFAOYSA-N 0 0 223.322 2.932 10 30 BFEERN FC(F)(F)[C@@H]1CCc2onc(CS)c2C1 ZINC000725252987 538034887 /nfs/dbraw/zinc/03/48/87/538034887.db2.gz RTZOLNCGCVLRBA-RXMQYKEDSA-N 0 0 237.246 2.772 10 30 BFEERN COc1ccc(OCC#N)c(C(C)C)c1 ZINC000059201674 349202077 /nfs/dbraw/zinc/20/20/77/349202077.db2.gz VYWGSKTVJRQMBI-UHFFFAOYSA-N 0 0 205.257 2.721 10 30 BFEERN Cc1nc(-c2cc(CS)no2)c(C)s1 ZINC000725253858 538038905 /nfs/dbraw/zinc/03/89/05/538038905.db2.gz MQVBMUYKGRUNSW-UHFFFAOYSA-N 0 0 226.326 2.845 10 30 BFEERN CCOC(=O)C=C(C)Nc1cccc(N(C)C)c1 ZINC000212168856 349303748 /nfs/dbraw/zinc/30/37/48/349303748.db2.gz DQFNPKJIBUNIPI-RVDMUPIBSA-N 0 0 248.326 2.798 10 30 BFEERN CCOC(C#CC[C@@H](O)c1ccccc1)OCC ZINC000725254158 538043150 /nfs/dbraw/zinc/04/31/50/538043150.db2.gz OIPRUGWLAXTALY-CQSZACIVSA-N 0 0 248.322 2.513 10 30 BFEERN CC#CCOc1cccc(Cl)c1C=O ZINC000051663904 350021083 /nfs/dbraw/zinc/02/10/83/350021083.db2.gz IWFMFRUEMRIRFA-UHFFFAOYSA-N 0 0 208.644 2.555 10 30 BFEERN CC#CC[C@H](O)Cc1ccc(Cl)cc1 ZINC000051664733 350021670 /nfs/dbraw/zinc/02/16/70/350021670.db2.gz IXGLOLGUFWUZFV-LBPRGKRZSA-N 0 0 208.688 2.657 10 30 BFEERN N#Cc1ccccc1/C=C/Br ZINC000218381039 538049460 /nfs/dbraw/zinc/04/94/60/538049460.db2.gz TZUKUJZHXLNUJG-AATRIKPKSA-N 0 0 208.058 2.924 10 30 BFEERN Cc1nc(COc2ccc(CC#N)cc2)oc1C ZINC000037909470 179979799 /nfs/dbraw/zinc/97/97/99/179979799.db2.gz JEQUEOBSLODCJZ-UHFFFAOYSA-N 0 0 242.278 2.937 10 30 BFEERN Cc1nc(N[C@H]2C[C@H]2C)c(Cl)cc1C#N ZINC000292796035 180024978 /nfs/dbraw/zinc/02/49/78/180024978.db2.gz YFQDRBKELFPNPM-LDWIPMOCSA-N 0 0 221.691 2.735 10 30 BFEERN Cc1nc([C@@H](C)NC[C@H](C)C#N)c(C)s1 ZINC000054179695 180038333 /nfs/dbraw/zinc/03/83/33/180038333.db2.gz ZCOWCOKQMXNMSW-HTQZYQBOSA-N 0 0 223.345 2.570 10 30 BFEERN N#CNC(=NC1CCCCC1)Oc1ccccc1 ZINC000219400722 350124791 /nfs/dbraw/zinc/12/47/91/350124791.db2.gz VTEKDGVACWKKHT-UHFFFAOYSA-N 0 0 243.310 2.825 10 30 BFEERN Cc1nc2ccccc2n1-c1ncccc1C#N ZINC000019515897 180101338 /nfs/dbraw/zinc/10/13/38/180101338.db2.gz GRVLRJRUSMJMSG-UHFFFAOYSA-N 0 0 234.262 2.601 10 30 BFEERN C/C(=N\O)c1ccc(-n2nc(C)cc2C)c(F)c1 ZINC000058824542 187439438 /nfs/dbraw/zinc/43/94/38/187439438.db2.gz BNRFYUXZOPBAOO-MHWRWJLKSA-N 0 0 247.273 2.826 10 30 BFEERN Cc1nc[nH]c1CNc1ccc(Cl)c(C#N)c1 ZINC000054795075 180122073 /nfs/dbraw/zinc/12/20/73/180122073.db2.gz JAIZUGNFDSURSO-UHFFFAOYSA-N 0 0 246.701 2.855 10 30 BFEERN N#Cc1cncc(Oc2ccc(C=O)cc2F)c1 ZINC000098180815 191061325 /nfs/dbraw/zinc/06/13/25/191061325.db2.gz MKTIBTMPXRXZBN-UHFFFAOYSA-N 0 0 242.209 2.697 10 30 BFEERN Cc1ncc2c(c1C#N)c1ccccc1oc2=O ZINC000082301968 180176680 /nfs/dbraw/zinc/17/66/80/180176680.db2.gz MTWJOGJIIFMJLD-UHFFFAOYSA-N 0 0 236.230 2.521 10 30 BFEERN CC(C)c1nsc(N[C@@H]2CCC[C@H]2C#N)n1 ZINC000309309565 350274318 /nfs/dbraw/zinc/27/43/18/350274318.db2.gz BORHRKNQFOMHII-DTWKUNHWSA-N 0 0 236.344 2.766 10 30 BFEERN C[C@H](C#N)Nc1cccc(Br)c1 ZINC000037937581 350292923 /nfs/dbraw/zinc/29/29/23/350292923.db2.gz WOZNWHNIAFLOHW-SSDOTTSWSA-N 0 0 225.089 2.773 10 30 BFEERN CC[C@](C)(C#N)NC(=O)[C@H]1CCCCC1(F)F ZINC000327942162 350364051 /nfs/dbraw/zinc/36/40/51/350364051.db2.gz XLGDLVXTULMTAY-MWLCHTKSSA-N 0 0 244.285 2.620 10 30 BFEERN Cc1nn(-c2ccc(F)cc2)c(Cl)c1C#N ZINC000021948679 180328289 /nfs/dbraw/zinc/32/82/89/180328289.db2.gz BDNYBUKJHSDZFJ-UHFFFAOYSA-N 0 0 235.649 2.845 10 30 BFEERN Cc1ccnc(CN[C@@H]2CCCC[C@H]2C#N)c1 ZINC000328151583 350376307 /nfs/dbraw/zinc/37/63/07/350376307.db2.gz FLDYIUUQHFWWQX-GXTWGEPZSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1nn(C)c(C)c1[C@H](C#N)Nc1ccccc1 ZINC000037935423 180348817 /nfs/dbraw/zinc/34/88/17/180348817.db2.gz OCXGMBMMWQYITA-ZDUSSCGKSA-N 0 0 240.310 2.714 10 30 BFEERN C=CCOc1cc(C=O)cc(OCC=C)c1 ZINC000034431588 350467578 /nfs/dbraw/zinc/46/75/78/350467578.db2.gz SRQYOPLBSPFYOQ-UHFFFAOYSA-N 0 0 218.252 2.629 10 30 BFEERN CC(C)(C)c1cncc(C#N)c1OC1CC1 ZINC000095736345 187455670 /nfs/dbraw/zinc/45/56/70/187455670.db2.gz CJBISBXNLUJXCN-UHFFFAOYSA-N 0 0 216.284 2.792 10 30 BFEERN CC(C)[C@H](C)Nc1ccc(N)cc1C#N ZINC000041020436 187458360 /nfs/dbraw/zinc/45/83/60/187458360.db2.gz CGEFVNVSOOVETM-VIFPVBQESA-N 0 0 203.289 2.597 10 30 BFEERN C=C[C@@H]1COC(=O)[C@H]1Sc1ccccc1 ZINC000104831104 191122037 /nfs/dbraw/zinc/12/20/37/191122037.db2.gz OLBCFPYMWDGTSC-KOLCDFICSA-N 0 0 220.293 2.506 10 30 BFEERN CC=C=CC(=O)c1coc(Br)c1 ZINC000306674730 350823814 /nfs/dbraw/zinc/82/38/14/350823814.db2.gz QXNBIPYICMUZRV-UHFFFAOYSA-N 0 0 227.057 2.638 10 30 BFEERN CCOc1cc(C#N)ccc1OC(C)C ZINC000005953479 191123083 /nfs/dbraw/zinc/12/30/83/191123083.db2.gz ZTLKCZLKNDYMLW-UHFFFAOYSA-N 0 0 205.257 2.744 10 30 BFEERN CCOC(=O)N1CC[C@H](c2ccccc2C#N)C1 ZINC000616610231 350808559 /nfs/dbraw/zinc/80/85/59/350808559.db2.gz LGCWRAUSPZKTPJ-LBPRGKRZSA-N 0 0 244.294 2.504 10 30 BFEERN CC(=O)N1CCCC[C@H]1c1ccccc1C#N ZINC000616615863 350849795 /nfs/dbraw/zinc/84/97/95/350849795.db2.gz CUYQRYCNLYZCSJ-AWEZNQCLSA-N 0 0 228.295 2.632 10 30 BFEERN C[C@@H](S)C(=O)Nc1ccsc1Cl ZINC000306747246 350934694 /nfs/dbraw/zinc/93/46/94/350934694.db2.gz JCNOUXLJWPHXDZ-SCSAIBSYSA-N 0 0 221.734 2.658 10 30 BFEERN C#CC[C@@H](CC)Nc1cc(Cl)nc(Cl)n1 ZINC000306721354 350888747 /nfs/dbraw/zinc/88/87/47/350888747.db2.gz DRQANPPKVWZCRH-SSDOTTSWSA-N 0 0 244.125 2.997 10 30 BFEERN C[C@@H]1C[C@H](C)C[C@@]2(CC[C@](C)(C=O)O2)C1 ZINC000306723729 350889908 /nfs/dbraw/zinc/88/99/08/350889908.db2.gz HLYNOOZIPCYLNF-YVECIDJPSA-N 0 0 210.317 2.949 10 30 BFEERN Cc1ccc(F)cc1[C@@H]1CC[C@H](C=O)O1 ZINC000306722980 350890977 /nfs/dbraw/zinc/89/09/77/350890977.db2.gz GDRBNIXLNIDWTK-PWSUYJOCSA-N 0 0 208.232 2.553 10 30 BFEERN N#CCc1cc(F)c(C(F)F)c(F)c1 ZINC000306724002 350892062 /nfs/dbraw/zinc/89/20/62/350892062.db2.gz TZUXSTZXPZMEHW-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN O=C[C@@]1(Cc2ccc(F)cc2)CCCS1 ZINC000306723116 350892170 /nfs/dbraw/zinc/89/21/70/350892170.db2.gz GIDNHMNULSBQDV-LBPRGKRZSA-N 0 0 224.300 2.833 10 30 BFEERN CCCCCCCOCC(=O)OCC ZINC000002510109 168655347 /nfs/dbraw/zinc/65/53/47/168655347.db2.gz YLCDNDWOYHGDGP-UHFFFAOYSA-N 0 0 202.294 2.537 10 30 BFEERN CC#CCNc1ncc(Br)cc1C ZINC000167994850 351224916 /nfs/dbraw/zinc/22/49/16/351224916.db2.gz JGNPFLHIEBKPII-UHFFFAOYSA-N 0 0 239.116 2.588 10 30 BFEERN C=C(Br)CNc1ccc(N)cc1C ZINC000168183270 351335566 /nfs/dbraw/zinc/33/55/66/351335566.db2.gz MHYOJQKSZLDXKC-UHFFFAOYSA-N 0 0 241.132 2.898 10 30 BFEERN O=CC1(C[C@H]2CCC[C@H](O)C2)CCCC1 ZINC000307027519 351435360 /nfs/dbraw/zinc/43/53/60/351435360.db2.gz BALJEBOVORGJAE-RYUDHWBXSA-N 0 0 210.317 2.687 10 30 BFEERN CC[C@H](C)N(Cc1ccccc1)C(=O)CS ZINC000307026665 351435373 /nfs/dbraw/zinc/43/53/73/351435373.db2.gz YQTNMTYZKRQWOX-NSHDSACASA-N 0 0 237.368 2.744 10 30 BFEERN O=CC1(C[C@@H]2CCC[C@H](O)C2)CCCC1 ZINC000307027508 351435406 /nfs/dbraw/zinc/43/54/06/351435406.db2.gz BALJEBOVORGJAE-NEPJUHHUSA-N 0 0 210.317 2.687 10 30 BFEERN O=CC1(C[C@H]2CCC[C@@H](O)C2)CCCC1 ZINC000307027514 351435469 /nfs/dbraw/zinc/43/54/69/351435469.db2.gz BALJEBOVORGJAE-NWDGAFQWSA-N 0 0 210.317 2.687 10 30 BFEERN CC1(C)CCC(Nc2nccc(C#N)n2)CC1 ZINC000231902326 351450787 /nfs/dbraw/zinc/45/07/87/351450787.db2.gz UKWIGLKAUYYXHR-UHFFFAOYSA-N 0 0 230.315 2.729 10 30 BFEERN Cn1c2cccc(C#N)c2nc1-c1ccncc1 ZINC000075934961 180608254 /nfs/dbraw/zinc/60/82/54/180608254.db2.gz GYFGUELBSJRLBS-UHFFFAOYSA-N 0 0 234.262 2.507 10 30 BFEERN CC[C@@H](S)C(=O)N(CC)Cc1ccccc1 ZINC000307254263 351788785 /nfs/dbraw/zinc/78/87/85/351788785.db2.gz XHDZVFVBMCVXIW-GFCCVEGCSA-N 0 0 237.368 2.744 10 30 BFEERN C=C(C)[C@@H](O)Cc1ccccc1Br ZINC000307319999 351999870 /nfs/dbraw/zinc/99/98/70/351999870.db2.gz ULONPDYKVNRLML-NSHDSACASA-N 0 0 241.128 2.929 10 30 BFEERN C[C@H]1CC[C@@](C=O)(Cc2cscn2)C1 ZINC000307374721 352471918 /nfs/dbraw/zinc/47/19/18/352471918.db2.gz YEAOXFGLCQNJEY-ONGXEEELSA-N 0 0 209.314 2.691 10 30 BFEERN COC(=O)c1ccc(C#N)c(Cl)c1Cl ZINC000307387225 352547301 /nfs/dbraw/zinc/54/73/01/352547301.db2.gz MJZNFMXYAZUVFM-UHFFFAOYSA-N 0 0 230.050 2.652 10 30 BFEERN Cc1cc(C#N)cc(NC(=O)C2CC(C)C2)c1 ZINC000583484269 352552048 /nfs/dbraw/zinc/55/20/48/352552048.db2.gz KTAWDXIHDTZNLF-UHFFFAOYSA-N 0 0 228.295 2.851 10 30 BFEERN N#CCc1cc(F)cc(F)c1C(F)F ZINC000307412291 352589215 /nfs/dbraw/zinc/58/92/15/352589215.db2.gz GNLYCUKYYQHNDQ-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN Cc1ccnc([C@@]2(C#N)CCCS2)c1 ZINC000307466469 352616323 /nfs/dbraw/zinc/61/63/23/352616323.db2.gz JVPKNRUJGLZERI-NSHDSACASA-N 0 0 204.298 2.636 10 30 BFEERN Fc1ccc(Cl)c(OCCS)c1 ZINC000307407893 352580593 /nfs/dbraw/zinc/58/05/93/352580593.db2.gz HHZMBTKRFXAMMV-UHFFFAOYSA-N 0 0 206.669 2.788 10 30 BFEERN O=C[C@@H]1CC[C@H](c2ccc(Cl)cc2)O1 ZINC000307477447 352617764 /nfs/dbraw/zinc/61/77/64/352617764.db2.gz DFIUWNVXPGTQTE-WDEREUQCSA-N 0 0 210.660 2.759 10 30 BFEERN N#Cc1cccc(-c2n[nH]c3ccc(N)cc32)c1 ZINC000076191257 187790639 /nfs/dbraw/zinc/79/06/39/187790639.db2.gz UBWDTYFEBQDFLN-UHFFFAOYSA-N 0 0 234.262 2.684 10 30 BFEERN Cc1ccc(F)c([C@H]2CC[C@H](C=O)O2)c1 ZINC000307542817 352644170 /nfs/dbraw/zinc/64/41/70/352644170.db2.gz ARYMZSHEQHEBIV-BXKDBHETSA-N 0 0 208.232 2.553 10 30 BFEERN CN[C@H](C#N)c1ccc(Br)cc1C ZINC000307567438 352651923 /nfs/dbraw/zinc/65/19/23/352651923.db2.gz QNAVHVBQTFPJIU-SNVBAGLBSA-N 0 0 239.116 2.542 10 30 BFEERN C[C@H](Nc1ccc(CC#N)cc1)c1cc[nH]n1 ZINC000037907805 187771041 /nfs/dbraw/zinc/77/10/41/187771041.db2.gz IAQYFILEJKOPQT-JTQLQIEISA-N 0 0 226.283 2.649 10 30 BFEERN CC(C)CSc1ccc(N)cc1C#N ZINC000041021770 187775047 /nfs/dbraw/zinc/77/50/47/187775047.db2.gz OPGBGUJBMYTNHU-UHFFFAOYSA-N 0 0 206.314 2.889 10 30 BFEERN CC[C@]1(c2ccco2)CCC[C@H](C=O)O1 ZINC000307622193 352692429 /nfs/dbraw/zinc/69/24/29/352692429.db2.gz KWVYNOKVRTVLRP-ZYHUDNBSSA-N 0 0 208.257 2.653 10 30 BFEERN C=C([C@H](O)[C@H]1CCC[C@H]1C)C(F)(F)F ZINC000307639583 352725841 /nfs/dbraw/zinc/72/58/41/352725841.db2.gz CAHBEBYYQJWUTD-YEPSODPASA-N 0 0 208.223 2.902 10 30 BFEERN CC(=O)[C@@H](C#N)c1c(C)cc(C)cc1C ZINC000016954228 187823226 /nfs/dbraw/zinc/82/32/26/187823226.db2.gz OOKIZJOABHCBAB-GFCCVEGCSA-N 0 0 201.269 2.808 10 30 BFEERN C#Cc1cccc(NC(=O)/C=C\C=C/C)c1 ZINC000033560776 187832991 /nfs/dbraw/zinc/83/29/91/187832991.db2.gz YOHGOTWMKYWGNM-XYWNUQEVSA-N 0 0 211.264 2.739 10 30 BFEERN N#C[C@@]1(CCOCc2ccccc2)CCOC1 ZINC000307669381 352749591 /nfs/dbraw/zinc/74/95/91/352749591.db2.gz NCCMKHOMFBKDCP-CQSZACIVSA-N 0 0 231.295 2.524 10 30 BFEERN Cc1ccc([C@H](C)Nc2nc(C)cc(C#N)n2)o1 ZINC000231898474 187837387 /nfs/dbraw/zinc/83/73/87/187837387.db2.gz AUZQVUPQZJXSCA-JTQLQIEISA-N 0 0 242.282 2.731 10 30 BFEERN C#Cc1csc(NCc2ccccc2)n1 ZINC000307687213 352920111 /nfs/dbraw/zinc/92/01/11/352920111.db2.gz CQBHGHFLDQOVSF-UHFFFAOYSA-N 0 0 214.293 2.737 10 30 BFEERN O=C[C@]1(Cc2ccc(F)cc2)CCCS1 ZINC000306723115 353036637 /nfs/dbraw/zinc/03/66/37/353036637.db2.gz GIDNHMNULSBQDV-GFCCVEGCSA-N 0 0 224.300 2.833 10 30 BFEERN C[C@H](C=O)c1ccc(Br)cc1 ZINC000032012776 353042825 /nfs/dbraw/zinc/04/28/25/353042825.db2.gz WJTCCULQAHZZRE-SSDOTTSWSA-N 0 0 213.074 2.752 10 30 BFEERN N#CC[C@H]1CCC[C@@H](c2nccs2)O1 ZINC000307709380 353102536 /nfs/dbraw/zinc/10/25/36/353102536.db2.gz MANOZJOIPVBYKF-BDAKNGLRSA-N 0 0 208.286 2.667 10 30 BFEERN C#C[C@@H](C)Nc1ncnc(Cl)c1C(C)C ZINC000229335732 353126072 /nfs/dbraw/zinc/12/60/72/353126072.db2.gz PLMOCZNBFICFAP-MRVPVSSYSA-N 0 0 223.707 2.687 10 30 BFEERN C=C(C)CNc1cc(Br)nc(C)n1 ZINC000229342157 353131363 /nfs/dbraw/zinc/13/13/63/353131363.db2.gz QFHGXLJCAKJXQY-UHFFFAOYSA-N 0 0 242.120 2.536 10 30 BFEERN C#C[C@H](C)Nc1cccc(Br)c1C#N ZINC000165017560 353139498 /nfs/dbraw/zinc/13/94/98/353139498.db2.gz AQPGIFNYFRWPLY-QMMMGPOBSA-N 0 0 249.111 2.754 10 30 BFEERN C=CCc1cc(OCC)ccc1OCC(C)=O ZINC000047820315 353155298 /nfs/dbraw/zinc/15/52/98/353155298.db2.gz VUKHKOYJDGMWJG-UHFFFAOYSA-N 0 0 234.295 2.782 10 30 BFEERN C=C1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC000080076154 188090484 /nfs/dbraw/zinc/09/04/84/188090484.db2.gz QCJGDXIONIXKEH-QWRGUYRKSA-N 0 0 223.316 2.820 10 30 BFEERN C#Cc1ccc(NC(=O)OC(C)(C)C)c(N)c1 ZINC000089194811 188098272 /nfs/dbraw/zinc/09/82/72/188098272.db2.gz MAJSHJYIZTULHB-UHFFFAOYSA-N 0 0 232.283 2.597 10 30 BFEERN CN(C)c1ccc(/C=C2\CCCC2=O)cc1 ZINC000004228052 188101479 /nfs/dbraw/zinc/10/14/79/188101479.db2.gz BTSXEIQFVFMZLH-ZRDIBKRKSA-N 0 0 215.296 2.889 10 30 BFEERN Cc1cnc([C@H](C)NC(=O)[C@H]2CCCCO2)o1 ZINC000329459491 538109084 /nfs/dbraw/zinc/10/90/84/538109084.db2.gz RQICPYWTVBJHLO-VHSXEESVSA-N 0 0 238.287 2.570 10 30 BFEERN N#Cc1cccc(-c2ccc(N)c(F)c2)c1 ZINC000016947770 188107509 /nfs/dbraw/zinc/10/75/09/188107509.db2.gz RFCNTUOHDLJBTP-UHFFFAOYSA-N 0 0 212.227 2.947 10 30 BFEERN CC(C)(C)c1cccc(OCC[C@H](N)C#N)c1 ZINC000019666611 188107707 /nfs/dbraw/zinc/10/77/07/188107707.db2.gz LTOUKRZBXKFFPW-LBPRGKRZSA-N 0 0 232.327 2.604 10 30 BFEERN C/C(=N\O)c1ccccc1NC(=O)C1CCC1 ZINC000019426594 188107863 /nfs/dbraw/zinc/10/78/63/188107863.db2.gz VNKGYAKQRILFBQ-OQLLNIDSSA-N 0 0 232.283 2.623 10 30 BFEERN C/C(=N\O)c1cccc(OCc2cccnc2)c1 ZINC000019507048 188107993 /nfs/dbraw/zinc/10/79/93/188107993.db2.gz CMTCFJBDQIYJAE-LFIBNONCSA-N 0 0 242.278 2.859 10 30 BFEERN N#CCc1ccc(Oc2ccncc2N)cc1 ZINC000020370569 188108469 /nfs/dbraw/zinc/10/84/69/188108469.db2.gz QZPCLBLXMVBSBK-UHFFFAOYSA-N 0 0 225.251 2.522 10 30 BFEERN CCCCOc1ccc2c(c1)occ(C#N)c2=O ZINC000036150074 188112168 /nfs/dbraw/zinc/11/21/68/188112168.db2.gz YBWQJXKAZBKKBO-UHFFFAOYSA-N 0 0 243.262 2.844 10 30 BFEERN N#CCCNc1cc(Br)ccc1F ZINC000036751862 188112863 /nfs/dbraw/zinc/11/28/63/188112863.db2.gz XUAWZTSDYLOPSQ-UHFFFAOYSA-N 0 0 243.079 2.914 10 30 BFEERN N#C[C@@H](NCC1CC1)c1cc(F)ccc1F ZINC000037946975 188116094 /nfs/dbraw/zinc/11/60/94/188116094.db2.gz FCKMLLRNNVDIEF-GFCCVEGCSA-N 0 0 222.238 2.529 10 30 BFEERN CC(C)CN[C@@H](C#N)c1ccc(F)c(F)c1 ZINC000037939112 188116098 /nfs/dbraw/zinc/11/60/98/188116098.db2.gz PNAVQJGMDRZPEG-LBPRGKRZSA-N 0 0 224.254 2.775 10 30 BFEERN N#Cc1ccc(Sc2ccccc2N)nc1 ZINC000042144055 188119788 /nfs/dbraw/zinc/11/97/88/188119788.db2.gz OTQDWVMROVUQID-UHFFFAOYSA-N 0 0 227.292 2.687 10 30 BFEERN CC(C)N(CCC#N)c1cccc(F)c1N ZINC000042528877 188120986 /nfs/dbraw/zinc/12/09/86/188120986.db2.gz ALBKSOURPXAEBH-UHFFFAOYSA-N 0 0 221.279 2.536 10 30 BFEERN COc1ccc(C[C@H]2COCC[C@H]2S)cc1 ZINC000095076288 188145092 /nfs/dbraw/zinc/14/50/92/188145092.db2.gz SIFQRAYZROMASP-WCQYABFASA-N 0 0 238.352 2.573 10 30 BFEERN N#Cc1cc(Sc2ccccc2N)ccn1 ZINC000061812858 188128266 /nfs/dbraw/zinc/12/82/66/188128266.db2.gz BMTNYONURKPTDO-UHFFFAOYSA-N 0 0 227.292 2.687 10 30 BFEERN CC(C)(C)OC(=O)n1cccc1CS ZINC000095083010 188145804 /nfs/dbraw/zinc/14/58/04/188145804.db2.gz UWQPWMGJYMDMMB-UHFFFAOYSA-N 0 0 213.302 2.701 10 30 BFEERN CCC[C@H](C#N)C(=O)N(CCC)C(C)C ZINC000044814986 188152962 /nfs/dbraw/zinc/15/29/62/188152962.db2.gz JMHRLANHTWMGTB-LLVKDONJSA-N 0 0 210.321 2.573 10 30 BFEERN C/C(=N\O)c1cc(C)ccc1OC[C@H]1CCOC1 ZINC000103385635 188160237 /nfs/dbraw/zinc/16/02/37/188160237.db2.gz YHOSHIUEVHMVMM-YGRGUWMTSA-N 0 0 249.310 2.609 10 30 BFEERN C=CCC(=O)N(CC#Cc1ccccc1)CCC ZINC000055182485 188221755 /nfs/dbraw/zinc/22/17/55/188221755.db2.gz QBPOMGBPGHDORO-UHFFFAOYSA-N 0 0 241.334 2.853 10 30 BFEERN C#CC[C@@H](O)c1cc(Br)cs1 ZINC000070598921 353259163 /nfs/dbraw/zinc/25/91/63/353259163.db2.gz PBEJZSKDEISGQN-SSDOTTSWSA-N 0 0 231.114 2.567 10 30 BFEERN C=CCC(=O)[C@@H]1CCCc2cccnc21 ZINC000128171703 353286783 /nfs/dbraw/zinc/28/67/83/353286783.db2.gz CVZDOSVRADQIRH-NSHDSACASA-N 0 0 201.269 2.647 10 30 BFEERN C=CCn1cnc(-c2ccccc2CC)c1N ZINC000103550259 188224846 /nfs/dbraw/zinc/22/48/46/188224846.db2.gz ZFAXUQCCBJQEFI-UHFFFAOYSA-N 0 0 227.311 2.881 10 30 BFEERN Fc1ccc(C[C@@H]2COCC[C@@H]2S)cc1 ZINC000095077117 180971705 /nfs/dbraw/zinc/97/17/05/180971705.db2.gz JVMLZIVVMNDBMK-PWSUYJOCSA-N 0 0 226.316 2.703 10 30 BFEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)c(F)c1 ZINC000094239601 353510696 /nfs/dbraw/zinc/51/06/96/353510696.db2.gz BCCRCERYQJMTTK-GWCFXTLKSA-N 0 0 246.285 2.556 10 30 BFEERN C=C1COc2ccc(Br)cc2C1=O ZINC000038918850 188473422 /nfs/dbraw/zinc/47/34/22/188473422.db2.gz SGMWTASLZDGAAM-UHFFFAOYSA-N 0 0 239.068 2.580 10 30 BFEERN N#CCCCCn1ccc2ccc(N)cc21 ZINC000049578597 188480885 /nfs/dbraw/zinc/48/08/85/188480885.db2.gz XZDYBMJJMWXIJR-UHFFFAOYSA-N 0 0 213.284 2.917 10 30 BFEERN C#CCC(C)(C)C(=O)Nc1ccccc1OC ZINC000184859905 353721847 /nfs/dbraw/zinc/72/18/47/353721847.db2.gz MFXXPDADWWRHCH-UHFFFAOYSA-N 0 0 231.295 2.683 10 30 BFEERN CC(C)(C)c1c(C#N)nccc1OC1CC1 ZINC000095736584 188501274 /nfs/dbraw/zinc/50/12/74/188501274.db2.gz UUVPVECWQPYHGB-UHFFFAOYSA-N 0 0 216.284 2.792 10 30 BFEERN CC(C)[C@H](S)C(=O)Nc1ccsc1 ZINC000232762396 353769286 /nfs/dbraw/zinc/76/92/86/353769286.db2.gz WONMQENSKWBILH-QMMMGPOBSA-N 0 0 215.343 2.641 10 30 BFEERN C[C@@H]1CCC[C@@H](N(C)C2=CC(=O)CC2)C1 ZINC000160216751 353741178 /nfs/dbraw/zinc/74/11/78/353741178.db2.gz UVQSXVHPRIVKFK-GHMZBOCLSA-N 0 0 207.317 2.744 10 30 BFEERN C[C@H]1CCC[C@H](N(C)C2=CC(=O)CC2)C1 ZINC000160216617 353741208 /nfs/dbraw/zinc/74/12/08/353741208.db2.gz UVQSXVHPRIVKFK-QWRGUYRKSA-N 0 0 207.317 2.744 10 30 BFEERN CC(C)(C)c1c(C#N)cncc1OC1CC1 ZINC000095736374 188499789 /nfs/dbraw/zinc/49/97/89/188499789.db2.gz JUOFUZRSZTZJAX-UHFFFAOYSA-N 0 0 216.284 2.792 10 30 BFEERN C=C(C)C[C@@H](C)C(=O)N1CCS[C@H](C)C1 ZINC000185472682 353808644 /nfs/dbraw/zinc/80/86/44/353808644.db2.gz KKQHPAVKYLTMSB-GHMZBOCLSA-N 0 0 227.373 2.553 10 30 BFEERN CCCOc1cc(Br)cnc1C#N ZINC000300988832 363260597 /nfs/dbraw/zinc/26/05/97/363260597.db2.gz VFNZRWIRPJVPDQ-UHFFFAOYSA-N 0 0 241.088 2.505 10 30 BFEERN N#CC1(NCc2ccccc2)CCSCC1 ZINC000041048780 181030718 /nfs/dbraw/zinc/03/07/18/181030718.db2.gz GSPPPAXCWOSFLG-UHFFFAOYSA-N 0 0 232.352 2.566 10 30 BFEERN N#CC1(NC(=O)c2ccoc2)CCCCCC1 ZINC000040221676 181030917 /nfs/dbraw/zinc/03/09/17/181030917.db2.gz MDHNXGNWPMTTRS-UHFFFAOYSA-N 0 0 232.283 2.626 10 30 BFEERN N#CC1(NC(=O)C2CCC2)CCCCCCC1 ZINC000040222048 181029601 /nfs/dbraw/zinc/02/96/01/181029601.db2.gz AXXGXWMVACPKPP-UHFFFAOYSA-N 0 0 234.343 2.909 10 30 BFEERN C=C[C@](C)(CC[C@@H]1O[C@]1(C)CC)OC(C)=O ZINC000005924080 188519510 /nfs/dbraw/zinc/51/95/10/188519510.db2.gz ZQIIAKHOIHRGSM-YNEHKIRRSA-N 0 0 226.316 2.842 10 30 BFEERN N#CCC(=O)c1c[nH]c2c1cccc2Cl ZINC000019772452 181034127 /nfs/dbraw/zinc/03/41/27/181034127.db2.gz QXTJVDRIHGMLCW-UHFFFAOYSA-N 0 0 218.643 2.918 10 30 BFEERN N#CCCN(C(=O)Oc1ccccc1)C1CC1 ZINC000042301644 181037391 /nfs/dbraw/zinc/03/73/91/181037391.db2.gz FMRXKYBEQFLIFQ-UHFFFAOYSA-N 0 0 230.267 2.563 10 30 BFEERN N#CCCn1nc(Cl)c2ccccc21 ZINC000045921279 181039485 /nfs/dbraw/zinc/03/94/85/181039485.db2.gz DFUJFACHVDLCBY-UHFFFAOYSA-N 0 0 205.648 2.603 10 30 BFEERN N#CCCn1cc(-c2ccc(F)cc2)cn1 ZINC000049815767 181039016 /nfs/dbraw/zinc/03/90/16/181039016.db2.gz VASPXENOHRZQBJ-UHFFFAOYSA-N 0 0 215.231 2.603 10 30 BFEERN N#CCNc1cccc(Cl)c1Cl ZINC000020246386 181043285 /nfs/dbraw/zinc/04/32/85/181043285.db2.gz ULRZYCMAIHUCQK-UHFFFAOYSA-N 0 0 201.056 2.929 10 30 BFEERN N#CCNc1ccc(Br)cc1F ZINC000020045250 181043289 /nfs/dbraw/zinc/04/32/89/181043289.db2.gz KIRGDYCJZHJJTO-UHFFFAOYSA-N 0 0 229.052 2.524 10 30 BFEERN Cc1oc(C)c(C(=O)N[C@@H]2CCC[C@H]2C#N)c1C ZINC000087199001 353988396 /nfs/dbraw/zinc/98/83/96/353988396.db2.gz ISHHWLBXMOIMHK-NWDGAFQWSA-N 0 0 246.310 2.627 10 30 BFEERN N#CC[C@H](O)Cc1ccc(Cl)c(Cl)c1 ZINC000041252091 181045835 /nfs/dbraw/zinc/04/58/35/181045835.db2.gz AJKDUUWZTNEJKY-QMMMGPOBSA-N 0 0 230.094 2.810 10 30 BFEERN CC1(C)C[C@@H]1c1noc(-c2ccnc(C#N)c2)n1 ZINC000232889788 354040717 /nfs/dbraw/zinc/04/07/17/354040717.db2.gz KVGODGPFVIPRPA-SNVBAGLBSA-N 0 0 240.266 2.517 10 30 BFEERN N#CCn1c2ccccc2nc1-c1ccccc1N ZINC000034268841 181050368 /nfs/dbraw/zinc/05/03/68/181050368.db2.gz HTRJXEFZEYHEJB-UHFFFAOYSA-N 0 0 248.289 2.809 10 30 BFEERN N#C[C@@H](Cc1ccccc1)NCc1ccccc1 ZINC000034591915 181055614 /nfs/dbraw/zinc/05/56/14/181055614.db2.gz JNRFSTAROSTWEJ-MRXNPFEDSA-N 0 0 236.318 2.911 10 30 BFEERN N#C[C@@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000032015823 181057498 /nfs/dbraw/zinc/05/74/98/181057498.db2.gz WSDDWVDETPMOKU-NSHDSACASA-N 0 0 229.670 2.785 10 30 BFEERN N#C[C@@H](N)c1ccc(SC(F)(F)F)cc1 ZINC000022176308 181056641 /nfs/dbraw/zinc/05/66/41/181056641.db2.gz GCRYPQGJURZRBT-MRVPVSSYSA-N 0 0 232.230 2.822 10 30 BFEERN N#CCc1cc(Cl)c2c(c1)C=CCO2 ZINC000047843750 181048217 /nfs/dbraw/zinc/04/82/17/181048217.db2.gz LJESROPDVURNJM-UHFFFAOYSA-N 0 0 205.644 2.812 10 30 BFEERN N#C[C@H](Cc1cccc(O)c1)c1ccc(O)cc1 ZINC000027422888 181063479 /nfs/dbraw/zinc/06/34/79/181063479.db2.gz HBUZYBIFLYMXQO-ZDUSSCGKSA-N 0 0 239.274 2.948 10 30 BFEERN N#C[C@H](NC(=O)c1cccs1)c1ccccc1 ZINC000040215180 181064349 /nfs/dbraw/zinc/06/43/49/181064349.db2.gz PUKAMMDCWMZWGI-NSHDSACASA-N 0 0 242.303 2.743 10 30 BFEERN N#C[C@H](NCC1CC1)c1cc(F)ccc1F ZINC000037946976 181065737 /nfs/dbraw/zinc/06/57/37/181065737.db2.gz FCKMLLRNNVDIEF-LBPRGKRZSA-N 0 0 222.238 2.529 10 30 BFEERN N#C[C@H](NCC1CC1)c1c(F)cccc1F ZINC000037946730 181065909 /nfs/dbraw/zinc/06/59/09/181065909.db2.gz SUZYCEXEIGFPEU-NSHDSACASA-N 0 0 222.238 2.529 10 30 BFEERN N#C[C@H](c1ccc(O)cc1)N1CCCCCC1 ZINC000057582495 181066636 /nfs/dbraw/zinc/06/66/36/181066636.db2.gz CHOBVTVWUKRRED-CQSZACIVSA-N 0 0 230.311 2.833 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccc(F)cc1 ZINC000054824042 181058695 /nfs/dbraw/zinc/05/86/95/181058695.db2.gz SMXXKXDXYTWCJA-JSGCOSHPSA-N 0 0 232.302 2.998 10 30 BFEERN N#C[C@H](c1ccc(Cl)cc1)c1ncccn1 ZINC000032015822 181066804 /nfs/dbraw/zinc/06/68/04/181066804.db2.gz WSDDWVDETPMOKU-LLVKDONJSA-N 0 0 229.670 2.785 10 30 BFEERN N#C[C@H](C=O)c1ccc(Cl)cc1Cl ZINC000033852619 181062857 /nfs/dbraw/zinc/06/28/57/181062857.db2.gz JJCRMZQGSNLGHK-ZCFIWIBFSA-N 0 0 214.051 2.799 10 30 BFEERN N#C[C@H](C=O)c1ccc(Cl)c(Cl)c1 ZINC000049815565 181063132 /nfs/dbraw/zinc/06/31/32/181063132.db2.gz VLVPUPYAEYXXJO-SSDOTTSWSA-N 0 0 214.051 2.799 10 30 BFEERN N#C[C@H]1CCCCC[C@H]1N1CCSCC1 ZINC000037146688 181067523 /nfs/dbraw/zinc/06/75/23/181067523.db2.gz QZYUUSXAFLVFLD-VXGBXAGGSA-N 0 0 224.373 2.508 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1ccncc1Cl ZINC000335183660 181068484 /nfs/dbraw/zinc/06/84/84/181068484.db2.gz DOFHXQFVCIPOLU-SKDRFNHKSA-N 0 0 235.718 2.517 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1ccc(Cl)o1 ZINC000061891850 181069635 /nfs/dbraw/zinc/06/96/35/181069635.db2.gz JEBRMMUBEJZQJL-PSASIEDQSA-N 0 0 224.691 2.715 10 30 BFEERN N#Cc1c(F)cccc1NC[C@@H](O)C1CCCC1 ZINC000301294430 181076188 /nfs/dbraw/zinc/07/61/88/181076188.db2.gz QYTNOIUYTMVFIP-CQSZACIVSA-N 0 0 248.301 2.660 10 30 BFEERN N#Cc1c(N)nccc1Nc1ccc(Cl)cc1 ZINC000033898474 181078273 /nfs/dbraw/zinc/07/82/73/181078273.db2.gz XEKCWFOWFZFELV-UHFFFAOYSA-N 0 0 244.685 2.932 10 30 BFEERN N#Cc1cc(-c2cccc(Cl)c2)[nH]n1 ZINC000076819698 181080640 /nfs/dbraw/zinc/08/06/40/181080640.db2.gz IEXHAVZTNUUABE-UHFFFAOYSA-N 0 0 203.632 2.602 10 30 BFEERN N#Cc1cc(-c2ccc(Cl)cc2)[nH]n1 ZINC000032010214 181081074 /nfs/dbraw/zinc/08/10/74/181081074.db2.gz ILGVUUAFRFYKNL-UHFFFAOYSA-N 0 0 203.632 2.602 10 30 BFEERN N#Cc1cc(F)ccc1NC1(CO)CCCCC1 ZINC000104253224 181088544 /nfs/dbraw/zinc/08/85/44/181088544.db2.gz SYUGKJSYNMFNCM-UHFFFAOYSA-N 0 0 248.301 2.804 10 30 BFEERN N#Cc1cc(Cl)cc(C(F)(F)F)n1 ZINC000214958789 181085883 /nfs/dbraw/zinc/08/58/83/181085883.db2.gz DAAFGGRFSGFSLS-UHFFFAOYSA-N 0 0 206.554 2.625 10 30 BFEERN N#Cc1cc2ccccc2nc1Br ZINC000070601804 181093824 /nfs/dbraw/zinc/09/38/24/181093824.db2.gz QICBDHNUTQDFTK-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN N#Cc1cc2c(o1)CN(Cc1ccccc1)CC2 ZINC000095775480 181094044 /nfs/dbraw/zinc/09/40/44/181094044.db2.gz JJZRUVZAKYLEFG-UHFFFAOYSA-N 0 0 238.290 2.710 10 30 BFEERN N#Cc1ccc(-c2ccncc2)[nH]c1=S ZINC000005331271 181095783 /nfs/dbraw/zinc/09/57/83/181095783.db2.gz HSRUWAZUZSWSHY-UHFFFAOYSA-N 0 0 213.265 2.678 10 30 BFEERN N#Cc1ccc(-c2cc(F)ccc2O)cc1O ZINC000065341377 181095228 /nfs/dbraw/zinc/09/52/28/181095228.db2.gz SYPSYMBJGVALHY-UHFFFAOYSA-N 0 0 229.210 2.776 10 30 BFEERN N#Cc1ccc(-c2ccc([N+](=O)[O-])cc2)nc1 ZINC000039040487 181095505 /nfs/dbraw/zinc/09/55/05/181095505.db2.gz YBLMSVPSFOBPRT-UHFFFAOYSA-N 0 0 225.207 2.528 10 30 BFEERN N#Cc1cc(N)ccc1NCCc1ccsc1 ZINC000042599168 181089149 /nfs/dbraw/zinc/08/91/49/181089149.db2.gz PSWIONSTRHSTSP-UHFFFAOYSA-N 0 0 243.335 2.857 10 30 BFEERN N#Cc1cc(N)cnc1Oc1ccccc1Cl ZINC000037759256 181089987 /nfs/dbraw/zinc/08/99/87/181089987.db2.gz XXUWAYQBQBOFSW-UHFFFAOYSA-N 0 0 245.669 2.981 10 30 BFEERN N#Cc1cc(N)cnc1Nc1ccc(Cl)cc1 ZINC000037758988 181090093 /nfs/dbraw/zinc/09/00/93/181090093.db2.gz FOQSCAOMRWAEDM-UHFFFAOYSA-N 0 0 244.685 2.932 10 30 BFEERN N#Cc1cc(N)cnc1SC1CCCCC1 ZINC000037759457 181090433 /nfs/dbraw/zinc/09/04/33/181090433.db2.gz CUXARMRAAIQSRT-UHFFFAOYSA-N 0 0 233.340 2.960 10 30 BFEERN N#Cc1cc(O)cc(-c2ccccc2C=O)c1 ZINC000065341309 181091825 /nfs/dbraw/zinc/09/18/25/181091825.db2.gz MEDFENGPBJLKQH-UHFFFAOYSA-N 0 0 223.231 2.743 10 30 BFEERN N#Cc1cc(O)cc(-c2ccc(F)cc2O)c1 ZINC000065341375 181091862 /nfs/dbraw/zinc/09/18/62/181091862.db2.gz WVSYSTFSIWKSQX-UHFFFAOYSA-N 0 0 229.210 2.776 10 30 BFEERN N#Cc1cc(O)cc(-c2cccc([N+](=O)[O-])c2)c1 ZINC000065341450 181091940 /nfs/dbraw/zinc/09/19/40/181091940.db2.gz AOFOFKZHJFXTTJ-UHFFFAOYSA-N 0 0 240.218 2.839 10 30 BFEERN N#Cc1ccc(COC[C@H]2CCCCO2)c(F)c1 ZINC000019510106 181110669 /nfs/dbraw/zinc/11/06/69/181110669.db2.gz PWOHLDPMQAGWDV-CYBMUJFWSA-N 0 0 249.285 2.783 10 30 BFEERN N#Cc1ccc(COc2ccc(N)cc2)cc1 ZINC000019265096 181110859 /nfs/dbraw/zinc/11/08/59/181110859.db2.gz MFOPHWWWZHWQOD-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN N#Cc1ccc(NCCc2ccsc2)c(N)c1 ZINC000042598980 181121345 /nfs/dbraw/zinc/12/13/45/181121345.db2.gz DIHBMGUMQZRCTA-UHFFFAOYSA-N 0 0 243.335 2.857 10 30 BFEERN N#Cc1ccc(Cl)cc1NCc1cn[nH]c1 ZINC000062785334 181111645 /nfs/dbraw/zinc/11/16/45/181111645.db2.gz DKRUVZBAXTZODQ-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN N#Cc1ccc(F)c(CN2CCCCCC2=O)c1 ZINC000019475895 181112545 /nfs/dbraw/zinc/11/25/45/181112545.db2.gz FOWLYJPWTSUREP-UHFFFAOYSA-N 0 0 246.285 2.600 10 30 BFEERN N#Cc1ccc(F)c(COCC(F)(F)F)c1 ZINC000019429553 181113309 /nfs/dbraw/zinc/11/33/09/181113309.db2.gz RMVPWXGASCWNFY-UHFFFAOYSA-N 0 0 233.164 2.776 10 30 BFEERN N#Cc1ccc(N[C@H](CO)c2ccccc2)cc1 ZINC000063001534 181125781 /nfs/dbraw/zinc/12/57/81/181125781.db2.gz HMWGNMQSUHHRIH-OAHLLOKOSA-N 0 0 238.290 2.704 10 30 BFEERN N#Cc1ccc(OCCCCCO)c(Cl)c1 ZINC000051021260 181127561 /nfs/dbraw/zinc/12/75/61/181127561.db2.gz OVQLCTMACJGSPP-UHFFFAOYSA-N 0 0 239.702 2.753 10 30 BFEERN N#Cc1ccc(OCc2cccs2)c(N)c1 ZINC000042410788 181128883 /nfs/dbraw/zinc/12/88/83/181128883.db2.gz KCGCKFTXVDYQDK-UHFFFAOYSA-N 0 0 230.292 2.781 10 30 BFEERN N#Cc1ccc2nc(-n3cccc3)sc2c1 ZINC000001520029 181133197 /nfs/dbraw/zinc/13/31/97/181133197.db2.gz VQYGXOVHIGXMJW-UHFFFAOYSA-N 0 0 225.276 2.959 10 30 BFEERN N#Cc1ccc([C@H](C#N)N2CCCCCC2)cc1 ZINC000038086192 181129651 /nfs/dbraw/zinc/12/96/51/181129651.db2.gz AVCMPXSWYOVPNJ-HNNXBMFYSA-N 0 0 239.322 2.999 10 30 BFEERN N#Cc1ccc(Sc2nccs2)c(N)c1 ZINC000040676485 181130632 /nfs/dbraw/zinc/13/06/32/181130632.db2.gz CHGCFCUJBYHWMV-UHFFFAOYSA-N 0 0 233.321 2.748 10 30 BFEERN C#CC(C)(C)Oc1ncccc1Br ZINC000165970337 354593178 /nfs/dbraw/zinc/59/31/78/354593178.db2.gz QTRVXUBHUKRAEZ-UHFFFAOYSA-N 0 0 240.100 2.635 10 30 BFEERN N#Cc1ccccc1NCc1ccc(O)c(O)c1 ZINC000019921433 181148641 /nfs/dbraw/zinc/14/86/41/181148641.db2.gz QXXJYTSMZCCYFV-UHFFFAOYSA-N 0 0 240.262 2.582 10 30 BFEERN N#Cc1ccccc1OCCc1ccc(N)cc1 ZINC000035677331 181150063 /nfs/dbraw/zinc/15/00/63/181150063.db2.gz XGRAYBPQAAXJRX-UHFFFAOYSA-N 0 0 238.290 2.762 10 30 BFEERN N#Cc1cccn1Cc1ccc(Cl)cc1N ZINC000039251613 181150737 /nfs/dbraw/zinc/15/07/37/181150737.db2.gz XBPYYGAENSENJQ-UHFFFAOYSA-N 0 0 231.686 2.644 10 30 BFEERN CC(C)(C)[S@](=O)N=C1CCCCC1 ZINC000166010121 354729536 /nfs/dbraw/zinc/72/95/36/354729536.db2.gz DELUBRHLPUTXTN-CYBMUJFWSA-N 0 0 201.335 2.854 10 30 BFEERN N#Cc1cccnc1N1CC[C@H]2CCCC[C@H]21 ZINC000229105070 181151659 /nfs/dbraw/zinc/15/16/59/181151659.db2.gz DSMHDULLSQVDKR-DGCLKSJQSA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1cccnc1N1CC[C@H]2CCCC[C@@H]21 ZINC000111249464 181152033 /nfs/dbraw/zinc/15/20/33/181152033.db2.gz DSMHDULLSQVDKR-YPMHNXCESA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1cccnc1NC[C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000104090456 181153528 /nfs/dbraw/zinc/15/35/28/181153528.db2.gz AGQZEFBEBXADHU-LOWVWBTDSA-N 0 0 227.311 2.801 10 30 BFEERN N#Cc1coc2cc(Cl)c(Cl)cc2c1=O ZINC000200068291 181165458 /nfs/dbraw/zinc/16/54/58/181165458.db2.gz BWBXTNKDGXQQQX-UHFFFAOYSA-N 0 0 240.045 2.971 10 30 BFEERN N#Cc1ncccc1CNc1ccccc1F ZINC000061657064 181170823 /nfs/dbraw/zinc/17/08/23/181170823.db2.gz JWDFOHWIJJWXKT-UHFFFAOYSA-N 0 0 227.242 2.704 10 30 BFEERN N#Cc1nc(-c2cccc(F)c2)ccc1F ZINC000261508829 181167459 /nfs/dbraw/zinc/16/74/59/181167459.db2.gz XLGBPBRXQMAOBX-UHFFFAOYSA-N 0 0 216.190 2.898 10 30 BFEERN N#Cc1nccnc1-c1ccc(Cl)s1 ZINC000077332934 181172687 /nfs/dbraw/zinc/17/26/87/181172687.db2.gz LNECWMXMXVFFOZ-UHFFFAOYSA-N 0 0 221.672 2.730 10 30 BFEERN N#Cc1nccnc1Nc1cccc2cccnc21 ZINC000054379018 181175523 /nfs/dbraw/zinc/17/55/23/181175523.db2.gz WIJFQPXSDYFASF-UHFFFAOYSA-N 0 0 247.261 2.640 10 30 BFEERN CC1(C[NH2+][C@H]2CCCC[C@H]2C#N)CCC1 ZINC000233027609 355308831 /nfs/dbraw/zinc/30/88/31/355308831.db2.gz OMXRSLNLEULMLB-RYUDHWBXSA-N 0 0 206.333 2.849 10 30 BFEERN C=CCC[C@H](O)c1ccc(N(C)C)cc1 ZINC000160235206 355355257 /nfs/dbraw/zinc/35/52/57/355355257.db2.gz QCBGVPQIQQXLLL-ZDUSSCGKSA-N 0 0 205.301 2.752 10 30 BFEERN Cc1cc(C)c(Br)c(C#N)c1N ZINC000226393824 355862112 /nfs/dbraw/zinc/86/21/12/355862112.db2.gz QBUCCGGFCJZITL-UHFFFAOYSA-N 0 0 225.089 2.520 10 30 BFEERN O=C(NC1CCC2(CC2)CC1)[C@@H]1CNC(=O)C1 ZINC000329903674 356141569 /nfs/dbraw/zinc/14/15/69/356141569.db2.gz INFVOWVMZDVNLG-VIFPVBQESA-N 0 0 236.315 2.642 10 30 BFEERN C=CCOc1ccc(CC(=O)OC)cc1Cl ZINC000032221633 259461757 /nfs/dbraw/zinc/46/17/57/259461757.db2.gz ZBTFQAXTOBDXRA-UHFFFAOYSA-N 0 0 240.686 2.620 10 30 BFEERN C[C@H](Nc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000035238219 356422156 /nfs/dbraw/zinc/42/21/56/356422156.db2.gz GYNCABRLGDCZDN-GXFFZTMASA-N 0 0 216.284 2.538 10 30 BFEERN C=C(Br)CNc1cccc(F)c1N ZINC000168188189 356544580 /nfs/dbraw/zinc/54/45/80/356544580.db2.gz AUFPPYWYIYTBBV-UHFFFAOYSA-N 0 0 245.095 2.728 10 30 BFEERN C=C(Br)CNc1cccc(N)c1 ZINC000168186024 356545835 /nfs/dbraw/zinc/54/58/35/356545835.db2.gz VJOKNGXAOKJDLI-UHFFFAOYSA-N 0 0 227.105 2.589 10 30 BFEERN C=C(Br)CNc1ccc(N)c(C)c1 ZINC000168194551 356556597 /nfs/dbraw/zinc/55/65/97/356556597.db2.gz XPJZZXMIWAMFGO-UHFFFAOYSA-N 0 0 241.132 2.898 10 30 BFEERN CCCCCC[C@@]1(C)O[C@@H]1C(=O)OCC ZINC000084324638 538530838 /nfs/dbraw/zinc/53/08/38/538530838.db2.gz NXOPBRGMCUPJEI-ZYHUDNBSSA-N 0 0 214.305 2.677 10 30 BFEERN C=C(C)CNc1nc(Br)cs1 ZINC000160392618 356699369 /nfs/dbraw/zinc/69/93/69/356699369.db2.gz FFEGJMKPGKECLZ-UHFFFAOYSA-N 0 0 233.134 2.894 10 30 BFEERN CCOC(=O)[C@@]1(CC)O[C@@]12CCCC2(C)C ZINC000086869197 538560675 /nfs/dbraw/zinc/56/06/75/538560675.db2.gz GRYXEDRWTQUVIK-CHWSQXEVSA-N 0 0 226.316 2.677 10 30 BFEERN CC[C@@H]1CCC[C@]2(CC1)O[C@]2(C)C(=O)OC ZINC000085657874 538545106 /nfs/dbraw/zinc/54/51/06/538545106.db2.gz SSRQMSYERMNYPE-RAIGVLPGSA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@]12CCC[C@@H](C)C2 ZINC000220852832 538547721 /nfs/dbraw/zinc/54/77/21/538547721.db2.gz IPVRIONGKHXBJM-WXHSDQCUSA-N 0 0 226.316 2.533 10 30 BFEERN COC(=O)[C@@]1(C(C)C)O[C@]1(C)CCC(C)C ZINC000086182536 538550736 /nfs/dbraw/zinc/55/07/36/538550736.db2.gz HGZWQJBQIGDTAH-CHWSQXEVSA-N 0 0 228.332 2.779 10 30 BFEERN C[C@@H](C#N)N1CC[C@@H](C(F)(F)F)C(C)(C)C1 ZINC000248806225 356803238 /nfs/dbraw/zinc/80/32/38/356803238.db2.gz RKWBTIXWRZNXPK-DTWKUNHWSA-N 0 0 234.265 2.809 10 30 BFEERN Cc1ccc(C(=O)CC#N)cc1Br ZINC000129812496 356969038 /nfs/dbraw/zinc/96/90/38/356969038.db2.gz GYTYRTSKAFGWMO-UHFFFAOYSA-N 0 0 238.084 2.854 10 30 BFEERN C#CCOc1ccc2ccc(OCC#C)cc2c1 ZINC000137642027 357204479 /nfs/dbraw/zinc/20/44/79/357204479.db2.gz MTMDDUQOOHMEJH-UHFFFAOYSA-N 0 0 236.270 2.864 10 30 BFEERN C#C[C@H](NC)c1cc(C)ccc1Br ZINC000130110633 357660750 /nfs/dbraw/zinc/66/07/50/357660750.db2.gz OSJJQQNMOBFINK-NSHDSACASA-N 0 0 238.128 2.651 10 30 BFEERN N#CCN1CCC[C@@H](c2cc(F)ccc2F)C1 ZINC000191675300 357782899 /nfs/dbraw/zinc/78/28/99/357782899.db2.gz ZTTMEDWIKLQLKN-SNVBAGLBSA-N 0 0 236.265 2.668 10 30 BFEERN N#Cc1cc(CO)ccc1OCc1ccccc1 ZINC000137861769 358006155 /nfs/dbraw/zinc/00/61/55/358006155.db2.gz LWBRNRPDFXWHCQ-UHFFFAOYSA-N 0 0 239.274 2.630 10 30 BFEERN COc1ccc(C#Cc2ccccc2)c(C=O)c1 ZINC000137897123 358013335 /nfs/dbraw/zinc/01/33/35/358013335.db2.gz UOJJLCXQTHDWKT-UHFFFAOYSA-N 0 0 236.270 2.908 10 30 BFEERN CCOC(=O)[C@@]1(CCCCc2ccccc2)CO1 ZINC000040801505 358246815 /nfs/dbraw/zinc/24/68/15/358246815.db2.gz MCSXZQIOJBOPDJ-OAHLLOKOSA-N 0 0 248.322 2.732 10 30 BFEERN COc1ccc([C@@H](/C=N\O)C(C)C)cc1 ZINC000584611069 358275137 /nfs/dbraw/zinc/27/51/37/358275137.db2.gz BTKMOTKSEVRTCD-OEMOTLHWSA-N 0 0 207.273 2.895 10 30 BFEERN O=[N+]([O-])c1ccc(C#CCC(F)(F)F)cc1 ZINC000584613485 358277633 /nfs/dbraw/zinc/27/76/33/358277633.db2.gz UMYWSBCYCABVLC-UHFFFAOYSA-N 0 0 229.157 2.899 10 30 BFEERN O/N=C1\c2ccccc2[C@H]2CCCCC[C@@]12O ZINC000584591837 358250292 /nfs/dbraw/zinc/25/02/92/358250292.db2.gz VLRBSNYJLWPMTI-LKOUJHMZSA-N 0 0 231.295 2.657 10 30 BFEERN O/N=C1\c2ccccc2[C@H]2CCCCC[C@]12O ZINC000584591839 358250487 /nfs/dbraw/zinc/25/04/87/358250487.db2.gz VLRBSNYJLWPMTI-QVAJCFKASA-N 0 0 231.295 2.657 10 30 BFEERN CCC[C@@](C#N)(CCO)c1cccc(OC)c1 ZINC000584594701 358251875 /nfs/dbraw/zinc/25/18/75/358251875.db2.gz VPPLICSPJHAIEY-AWEZNQCLSA-N 0 0 233.311 2.639 10 30 BFEERN C=CC[C@H](C#N)c1cc(OC)c(OC)c(OC)c1 ZINC000584595545 358253232 /nfs/dbraw/zinc/25/32/32/358253232.db2.gz GUPXHYVUCHDTAV-SNVBAGLBSA-N 0 0 247.294 2.896 10 30 BFEERN C=CC[C@@H](Cc1ccccc1)C(=O)OCC ZINC000584596900 358254439 /nfs/dbraw/zinc/25/44/39/358254439.db2.gz OKOXYSQCRABFQZ-ZDUSSCGKSA-N 0 0 218.296 2.985 10 30 BFEERN N#Cc1c(N)cccc1CCc1ccccc1 ZINC000584598570 358255758 /nfs/dbraw/zinc/25/57/58/358255758.db2.gz DOEIODLVFYRLDZ-UHFFFAOYSA-N 0 0 222.291 2.926 10 30 BFEERN C=C[C@H](C1CCOCC1)[C@H]1CCCCC1=O ZINC000584601301 358258049 /nfs/dbraw/zinc/25/80/49/358258049.db2.gz BDIQIJUBYOHYKQ-CHWSQXEVSA-N 0 0 222.328 2.975 10 30 BFEERN C=C[C@@H](C1CCOCC1)[C@@H]1CCCCC1=O ZINC000584601304 358258333 /nfs/dbraw/zinc/25/83/33/358258333.db2.gz BDIQIJUBYOHYKQ-STQMWFEESA-N 0 0 222.328 2.975 10 30 BFEERN CC(=NC#N)N[C@H](C)c1cc(C)ccc1C ZINC000584601628 358258966 /nfs/dbraw/zinc/25/89/66/358258966.db2.gz FPXYUGWTYKGANF-LLVKDONJSA-N 0 0 215.300 2.854 10 30 BFEERN C#C[P@](=O)(OCC)Oc1ccccc1 ZINC000584604543 358263717 /nfs/dbraw/zinc/26/37/17/358263717.db2.gz URKGHLXORXVPLP-AWEZNQCLSA-N 0 0 210.169 2.886 10 30 BFEERN COC(=O)C([N+]#N)=C([O-])c1cc2ccccc2o1 ZINC000584606608 358265908 /nfs/dbraw/zinc/26/59/08/358265908.db2.gz GSYOMKFHZHXWPU-UHFFFAOYSA-O 0 0 245.214 2.842 10 30 BFEERN C=C(C(=O)OC)[C@H](F)C1CCCCC1 ZINC000584606806 358266585 /nfs/dbraw/zinc/26/65/85/358266585.db2.gz WDFRGFBZAWQMCV-JTQLQIEISA-N 0 0 200.253 2.634 10 30 BFEERN C=CC(CC)(CC)N[S@](=O)C(C)(C)C ZINC000584608475 358269223 /nfs/dbraw/zinc/26/92/23/358269223.db2.gz XDMMIIASFKXGAV-CQSZACIVSA-N 0 0 217.378 2.783 10 30 BFEERN C[C@@](Cl)(/C(=N/Cl)c1ccccc1)[N+](=O)[O-] ZINC000584609546 358271206 /nfs/dbraw/zinc/27/12/06/358271206.db2.gz SFKFUKOXEQZNDU-KWINOFQJSA-N 0 0 247.081 2.861 10 30 BFEERN COc1ccccc1C(=O)/C=C/C(F)(F)F ZINC000584609507 358271302 /nfs/dbraw/zinc/27/13/02/358271302.db2.gz CKHIPUXTUQLHAD-VOTSOKGWSA-N 0 0 230.185 2.996 10 30 BFEERN C=CC/C(C(=O)OCC)=C(/C)Br ZINC000584610221 358273404 /nfs/dbraw/zinc/27/34/04/358273404.db2.gz OMWYDVLRSUSNFI-BQYQJAHWSA-N 0 0 233.105 2.795 10 30 BFEERN CCCCCCC[C@H](CC=O)OC(C)=O ZINC000584620454 358287679 /nfs/dbraw/zinc/28/76/79/358287679.db2.gz OPTYPNYDILEGKL-GFCCVEGCSA-N 0 0 214.305 2.868 10 30 BFEERN CCCC[C@@H]1Cc2ccccc2N(O)C1=O ZINC000584622014 358290093 /nfs/dbraw/zinc/29/00/93/358290093.db2.gz KSAMTKWWZYHHFW-LLVKDONJSA-N 0 0 219.284 2.771 10 30 BFEERN CCOC(=O)[C@H]1C(C)=C(CC)C(=O)CC1(C)C ZINC000584624683 358293107 /nfs/dbraw/zinc/29/31/07/358293107.db2.gz FDNJHZKCZGKPBS-GFCCVEGCSA-N 0 0 238.327 2.891 10 30 BFEERN C#CCN([C@@H](C)C1CCC1)[S@](=O)C(C)(C)C ZINC000584627134 358296632 /nfs/dbraw/zinc/29/66/32/358296632.db2.gz JLYCZBRUBBMJEX-MEDUHNTESA-N 0 0 241.400 2.572 10 30 BFEERN C#CCN([C@@H](C)C1CCC1)[S@@](=O)C(C)(C)C ZINC000584627138 358296689 /nfs/dbraw/zinc/29/66/89/358296689.db2.gz JLYCZBRUBBMJEX-ZBEGNZNMSA-N 0 0 241.400 2.572 10 30 BFEERN C[C@H]1CC[C@H](Oc2ccnc(C#N)c2)CC1 ZINC000584628319 358297956 /nfs/dbraw/zinc/29/79/56/358297956.db2.gz AMCQSFBFOSKBMN-UMSPYCQHSA-N 0 0 216.284 2.911 10 30 BFEERN N#CCC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000584629956 358298955 /nfs/dbraw/zinc/29/89/55/358298955.db2.gz UHRJKFOXOGQUJU-UHFFFAOYSA-N 0 0 229.066 2.672 10 30 BFEERN CCC(=NC#N)N[C@@H]1CCc2ccccc21 ZINC000584649941 358304604 /nfs/dbraw/zinc/30/46/04/358304604.db2.gz DHOPTBLQYOGPCR-GFCCVEGCSA-N 0 0 213.284 2.553 10 30 BFEERN N#CC(=O)CCCCCCc1ccc(O)cc1 ZINC000584652714 358307794 /nfs/dbraw/zinc/30/77/94/358307794.db2.gz VGBPUCJNZINVQC-UHFFFAOYSA-N 0 0 231.295 2.978 10 30 BFEERN C=CC/N=C(\C)c1ccc([N+](=O)[O-])cc1 ZINC000584657205 358308607 /nfs/dbraw/zinc/30/86/07/358308607.db2.gz SVOXAXAHRPSBNO-FMIVXFBMSA-N 0 0 204.229 2.590 10 30 BFEERN CC(C)(C)OC(=O)n1cc(C#N)c2cccnc21 ZINC000584661514 358312665 /nfs/dbraw/zinc/31/26/65/358312665.db2.gz JVRFOSQEWSGWGX-UHFFFAOYSA-N 0 0 243.266 2.691 10 30 BFEERN C=C[C@@](C)(SC(=O)NC)c1ccccn1 ZINC000584646877 358331611 /nfs/dbraw/zinc/33/16/11/358331611.db2.gz VSAKVPWBWIGBMU-LLVKDONJSA-N 0 0 222.313 2.555 10 30 BFEERN N#C[C@H](CC1(F)CC1)c1cnc(C(F)F)nc1 ZINC000584647366 358332363 /nfs/dbraw/zinc/33/23/63/358332363.db2.gz PKXAAPQYHIYTBR-ZETCQYMHSA-N 0 0 241.216 2.914 10 30 BFEERN O=C[C@H]1CCc2c3cccc(F)c3oc2C1 ZINC000584632552 358315303 /nfs/dbraw/zinc/31/53/03/358315303.db2.gz XCMMWVOJKRTBHJ-QMMMGPOBSA-N 0 0 218.227 2.876 10 30 BFEERN C=C[C@@](O)(c1ccc(OC)cc1)c1cccnc1 ZINC000584633713 358317891 /nfs/dbraw/zinc/31/78/91/358317891.db2.gz IUZPCMRWRWXALN-OAHLLOKOSA-N 0 0 241.290 2.512 10 30 BFEERN N#Cc1cnccc1C(F)(F)C(F)(F)F ZINC000584634582 358318831 /nfs/dbraw/zinc/31/88/31/358318831.db2.gz OVGHNOLGMBWOPW-UHFFFAOYSA-N 0 0 222.116 2.607 10 30 BFEERN COc1ccc(OCC[C@H](C)C#N)cc1 ZINC000584634566 358318914 /nfs/dbraw/zinc/31/89/14/358318914.db2.gz MGZWBSPGEZPUCH-JTQLQIEISA-N 0 0 205.257 2.624 10 30 BFEERN C#Cc1ccc(Cl)cc1C(OC)OC ZINC000584635546 358319715 /nfs/dbraw/zinc/31/97/15/358319715.db2.gz BGMFEMSQAJSXPX-UHFFFAOYSA-N 0 0 210.660 2.613 10 30 BFEERN COc1ccc(OC)c2c1CCCC/C2=N/O ZINC000584638269 358324007 /nfs/dbraw/zinc/32/40/07/358324007.db2.gz JVZMGGQMUKGMJE-UVTDQMKNSA-N 0 0 235.283 2.609 10 30 BFEERN N#Cc1ccc2nc(-c3ccncc3)cnc2c1 ZINC000584639851 358325662 /nfs/dbraw/zinc/32/56/62/358325662.db2.gz HWUBWLGTOOALAT-UHFFFAOYSA-N 0 0 232.246 2.563 10 30 BFEERN CCCCCCCO[C@H]1[C@H](CO)[C@H]2CC[C@@H]1O2 ZINC000584640417 358326459 /nfs/dbraw/zinc/32/64/59/358326459.db2.gz FAOREMXDOXMFPQ-MQYQWHSLSA-N 0 0 242.359 2.512 10 30 BFEERN Cc1c(CC#N)ncc(F)c1C1(Cl)CC1 ZINC000584641171 358327241 /nfs/dbraw/zinc/32/72/41/358327241.db2.gz OJNQCEBZLWTMSP-UHFFFAOYSA-N 0 0 224.666 2.823 10 30 BFEERN CC/C(=C\c1ccc(C#N)cc1)[N+](=O)[O-] ZINC000042905943 358362496 /nfs/dbraw/zinc/36/24/96/358362496.db2.gz RJYSLZOAFUSPFU-YRNVUSSQSA-N 0 0 202.213 2.586 10 30 BFEERN CC1(C)CCC[C@@H]1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000300241455 358433742 /nfs/dbraw/zinc/43/37/42/358433742.db2.gz ISDVSJFSGBATEO-TUAOUCFPSA-N 0 0 234.343 2.621 10 30 BFEERN C=C(C)C(=O)[C@H]1SCCS[C@@H]1CC ZINC000228083679 358563428 /nfs/dbraw/zinc/56/34/28/358563428.db2.gz OFQCUWQGNDOHCW-SCZZXKLOSA-N 0 0 216.371 2.759 10 30 BFEERN C=C(CC)CNc1nc(Cl)nc(Cl)n1 ZINC000306172647 358981774 /nfs/dbraw/zinc/98/17/74/358981774.db2.gz LNWGZEMBRKUFIB-UHFFFAOYSA-N 0 0 233.102 2.557 10 30 BFEERN N#C[C@@]1(CC=C(Cl)Cl)CCCC1=O ZINC000403412927 358981943 /nfs/dbraw/zinc/98/19/43/358981943.db2.gz VZVZDMQUHWJQKC-VIFPVBQESA-N 0 0 218.083 2.958 10 30 BFEERN CN(Cc1ccccc1)c1cc(C#N)ccc1N ZINC000130266073 358993525 /nfs/dbraw/zinc/99/35/25/358993525.db2.gz QJKUPFBZWWJYMZ-UHFFFAOYSA-N 0 0 237.306 2.777 10 30 BFEERN C#C[C@@H](NC)c1c(C)cccc1Br ZINC000306213703 359308340 /nfs/dbraw/zinc/30/83/40/359308340.db2.gz VGRDPMLHWUZMDC-SNVBAGLBSA-N 0 0 238.128 2.651 10 30 BFEERN Cc1nnc(C2(C#N)CCCCC2)s1 ZINC000306217936 359329797 /nfs/dbraw/zinc/32/97/97/359329797.db2.gz DRUWHOHGDASMLY-UHFFFAOYSA-N 0 0 207.302 2.572 10 30 BFEERN N#CC1([C@@H](O)c2ccsc2Cl)CC1 ZINC000306248707 359445512 /nfs/dbraw/zinc/44/55/12/359445512.db2.gz XUHNCMVESFQMGE-ZETCQYMHSA-N 0 0 213.689 2.739 10 30 BFEERN C#CCNc1cc(F)c(F)cc1Cl ZINC000306250216 359447937 /nfs/dbraw/zinc/44/79/37/359447937.db2.gz YMOGMOJLDKFQLC-UHFFFAOYSA-N 0 0 201.603 2.663 10 30 BFEERN N#Cc1snc(Cl)c1NC1CCC1 ZINC000306253934 359464570 /nfs/dbraw/zinc/46/45/70/359464570.db2.gz NNRGKMBBOSLWDA-UHFFFAOYSA-N 0 0 213.693 2.633 10 30 BFEERN C#CC(=O)c1cc(F)c(F)cc1Br ZINC000306260375 359478495 /nfs/dbraw/zinc/47/84/95/359478495.db2.gz UHSZPDBRWJMXJQ-UHFFFAOYSA-N 0 0 245.022 2.543 10 30 BFEERN C=C(C)C(=O)c1ccc(N)cc1Br ZINC000306298626 359541562 /nfs/dbraw/zinc/54/15/62/359541562.db2.gz DKKJFTOWDKTYDO-UHFFFAOYSA-N 0 0 240.100 2.790 10 30 BFEERN CC#C[C@](C)(O)c1ccccc1Br ZINC000306325756 359610395 /nfs/dbraw/zinc/61/03/95/359610395.db2.gz QVKWIOAARDHNRS-NSHDSACASA-N 0 0 239.112 2.680 10 30 BFEERN C/[N+](O)=C/c1ccccc1OCc1ccccc1 ZINC000138032217 359656363 /nfs/dbraw/zinc/65/63/63/359656363.db2.gz MVOQVXYKSSBEAF-WJDWOHSUSA-N 0 0 242.298 2.716 10 30 BFEERN CC#C[C@@](C)(O)c1cccc(Br)c1 ZINC000306356861 359682186 /nfs/dbraw/zinc/68/21/86/359682186.db2.gz UAJJDMVJJPVXQU-LLVKDONJSA-N 0 0 239.112 2.680 10 30 BFEERN N#Cc1ccc(-n2cccn2)c(Br)c1 ZINC000169189490 359701387 /nfs/dbraw/zinc/70/13/87/359701387.db2.gz VGGHWFJNHCMSKW-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN COCc1ccc(CN[C@@H]2CCC[C@H]2C#N)cc1 ZINC000088568453 359967192 /nfs/dbraw/zinc/96/71/92/359967192.db2.gz GZHNMFCZHUMAAJ-LSDHHAIUSA-N 0 0 244.338 2.615 10 30 BFEERN COCc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000088568451 359967447 /nfs/dbraw/zinc/96/74/47/359967447.db2.gz GZHNMFCZHUMAAJ-HUUCEWRRSA-N 0 0 244.338 2.615 10 30 BFEERN COc1ccc(Br)c(/C(C)=N/O)c1 ZINC000306456154 360047061 /nfs/dbraw/zinc/04/70/61/360047061.db2.gz RMIILLUYIPAAAM-IZZDOVSWSA-N 0 0 244.088 2.656 10 30 BFEERN O=C[C@H]1CC[C@H](c2cc(Cl)cs2)O1 ZINC000306472628 360100463 /nfs/dbraw/zinc/10/04/63/360100463.db2.gz CMVBWGGYONUVDH-HTQZYQBOSA-N 0 0 216.689 2.821 10 30 BFEERN C[C@@H]1CC[C@]2(CCC[C@@H](C=O)O2)C[C@H]1C ZINC000306520094 360343842 /nfs/dbraw/zinc/34/38/42/360343842.db2.gz JRXSWYSGXKUBKB-FVCCEPFGSA-N 0 0 210.317 2.949 10 30 BFEERN Cc1cccc(C)c1C(=O)C1=COCC1 ZINC000306523472 360360162 /nfs/dbraw/zinc/36/01/62/360360162.db2.gz SOLAJGNYZQRDDM-UHFFFAOYSA-N 0 0 202.253 2.790 10 30 BFEERN CC#CC[C@H](O)c1csc(Cl)c1 ZINC000306524402 360368543 /nfs/dbraw/zinc/36/85/43/360368543.db2.gz YEONZLRJRUBDRH-QMMMGPOBSA-N 0 0 200.690 2.848 10 30 BFEERN CC(C)(C)C#CCC(=O)CC(F)(F)F ZINC000300743492 360436531 /nfs/dbraw/zinc/43/65/31/360436531.db2.gz IZNUOSHXCRJGGL-UHFFFAOYSA-N 0 0 206.207 2.948 10 30 BFEERN CC(C)[C@]1(c2cccs2)CC[C@H](C=O)O1 ZINC000306569577 360448619 /nfs/dbraw/zinc/44/86/19/360448619.db2.gz WYNSVIWGSHMJGF-PWSUYJOCSA-N 0 0 224.325 2.977 10 30 BFEERN O=C[C@H]1CCCCN1Cc1csc(Cl)c1 ZINC000306547836 360417294 /nfs/dbraw/zinc/41/72/94/360417294.db2.gz XJLVYNCCGVYICN-SNVBAGLBSA-N 0 0 243.759 2.955 10 30 BFEERN CC(C)(C)C#CCC(=O)C[C@H]1CCCO1 ZINC000300739630 360424006 /nfs/dbraw/zinc/42/40/06/360424006.db2.gz ICSJCVJAFKZWRH-GFCCVEGCSA-N 0 0 208.301 2.564 10 30 BFEERN C#C[C@@H](O)c1c(F)cccc1SCC ZINC000306584482 360482288 /nfs/dbraw/zinc/48/22/88/360482288.db2.gz GQMYXOBDAFZIDY-SECBINFHSA-N 0 0 210.273 2.604 10 30 BFEERN CC(C)(C)[C@@H](C#N)Cn1cc(Cl)cn1 ZINC000306589438 360494381 /nfs/dbraw/zinc/49/43/81/360494381.db2.gz WXDYEWPVBBIJLH-QMMMGPOBSA-N 0 0 211.696 2.722 10 30 BFEERN CC[C@H](C#N)N1CCC[C@@H](SC)CC1 ZINC000300804589 360512132 /nfs/dbraw/zinc/51/21/32/360512132.db2.gz GBISNICEHJCCIZ-GHMZBOCLSA-N 0 0 212.362 2.506 10 30 BFEERN Cc1ccsc1[C@@]1(C)CC(=O)C=CO1 ZINC000069852294 360723518 /nfs/dbraw/zinc/72/35/18/360723518.db2.gz IUWVPCXCCUYGQW-LLVKDONJSA-N 0 0 208.282 2.775 10 30 BFEERN O=C1C=CO[C@H](c2ccc(F)cc2F)C1 ZINC000069850439 360702980 /nfs/dbraw/zinc/70/29/80/360702980.db2.gz UXDDRLQJPDQPCG-NSHDSACASA-N 0 0 210.179 2.509 10 30 BFEERN Cc1c(CC#N)cccc1OC(F)(F)F ZINC000238445004 361068082 /nfs/dbraw/zinc/06/80/82/361068082.db2.gz IIODJQBUUVRJHS-UHFFFAOYSA-N 0 0 215.174 2.960 10 30 BFEERN N#Cc1c(Cl)nccc1OC(F)(F)F ZINC000238538239 361141785 /nfs/dbraw/zinc/14/17/85/361141785.db2.gz PBTKALPKXSERGZ-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#CCc1c(Cl)ccnc1OC(F)(F)F ZINC000238549705 361143001 /nfs/dbraw/zinc/14/30/01/361143001.db2.gz SXXGFZWSPJATNB-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN C=CCCC(=O)c1ccc(C(=O)OCC)o1 ZINC000381431119 361463174 /nfs/dbraw/zinc/46/31/74/361463174.db2.gz WSJKERKWBIQWDC-UHFFFAOYSA-N 0 0 222.240 2.605 10 30 BFEERN C[C@H](C#N)CSc1ccc(Cl)cn1 ZINC000070614900 361629642 /nfs/dbraw/zinc/62/96/42/361629642.db2.gz GHDOMXZDFUYETI-SSDOTTSWSA-N 0 0 212.705 2.987 10 30 BFEERN CCCCCC[C@]1(C)O[C@@]1(Cl)C(=O)OC ZINC000232941103 541508915 /nfs/dbraw/zinc/50/89/15/541508915.db2.gz SGXNNOARFSTBPK-QWRGUYRKSA-N 0 0 234.723 2.854 10 30 BFEERN CCSc1cc(C#N)ccc1[C@H](C)O ZINC000161401442 368144353 /nfs/dbraw/zinc/14/43/53/368144353.db2.gz YZXVIIBHHOFPHV-QMMMGPOBSA-N 0 0 207.298 2.724 10 30 BFEERN C#Cc1ccc2c(cnn2C(=O)OC(C)(C)C)c1 ZINC000217951456 368283618 /nfs/dbraw/zinc/28/36/18/368283618.db2.gz YKXMKSRCXAEUJU-UHFFFAOYSA-N 0 0 242.278 2.801 10 30 BFEERN C=CC[C@H]1COCO[C@H]1c1ccccc1 ZINC000059164145 368334278 /nfs/dbraw/zinc/33/42/78/368334278.db2.gz AFEGRAGDRMVCNF-STQMWFEESA-N 0 0 204.269 2.924 10 30 BFEERN Cc1cc(-c2ncc(/C=N/O)cc2C)ccn1 ZINC000113387862 368891492 /nfs/dbraw/zinc/89/14/92/368891492.db2.gz MFRNCLWEEDSPRG-LZYBPNLTSA-N 0 0 227.267 2.569 10 30 BFEERN C=CCN1C(=O)C(=CC2=CCC=C2)SC1=S ZINC000105909423 369071454 /nfs/dbraw/zinc/07/14/54/369071454.db2.gz IWLXWYSHENTBMS-CSKARUKUSA-N 0 0 248.352 2.793 10 30 BFEERN C[C@@H]1CCC[C@H](SC[C@](C)(N)C#N)C1 ZINC000054694916 369087340 /nfs/dbraw/zinc/08/73/40/369087340.db2.gz RQXRABCSZYTCPN-OUAUKWLOSA-N 0 0 212.362 2.539 10 30 BFEERN CCC(CC)C(O)=CC(=O)C(F)(F)F ZINC000106262560 369099279 /nfs/dbraw/zinc/09/92/79/369099279.db2.gz HNXDPVYANNOUPC-YVMONPNESA-N 0 0 210.195 2.996 10 30 BFEERN CN(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1cccc(C#N)c1 ZINC000250257529 369497425 /nfs/dbraw/zinc/49/74/25/369497425.db2.gz ZGJFDCLSNGFNMC-CLLJXQQHSA-N 0 0 240.306 2.567 10 30 BFEERN N#Cc1cc(-c2ccsc2)nn1CC1CC1 ZINC000409444047 369978411 /nfs/dbraw/zinc/97/84/11/369978411.db2.gz ZHIOTRRQGPHGEE-UHFFFAOYSA-N 0 0 229.308 2.893 10 30 BFEERN CCN(CC)c1nc(Cl)c(C#N)cc1F ZINC000409428167 369975700 /nfs/dbraw/zinc/97/57/00/369975700.db2.gz ZFXIUDZQVNPVJS-UHFFFAOYSA-N 0 0 227.670 2.592 10 30 BFEERN Cc1nc(C#N)cc(Cc2ccc(Cl)cc2)n1 ZINC000409440442 369976696 /nfs/dbraw/zinc/97/66/96/369976696.db2.gz WRGOVOOQANDUIR-UHFFFAOYSA-N 0 0 243.697 2.901 10 30 BFEERN N#Cc1cc(-c2ccccc2)nn1CC1CC1 ZINC000409444001 369979633 /nfs/dbraw/zinc/97/96/33/369979633.db2.gz YFVOJWAHPOQEBS-UHFFFAOYSA-N 0 0 223.279 2.832 10 30 BFEERN C[C@H](C#N)NC(=O)c1cc2sccc2s1 ZINC000111324989 370132639 /nfs/dbraw/zinc/13/26/39/370132639.db2.gz FCDVCDJWNWLDPC-ZCFIWIBFSA-N 0 0 236.321 2.605 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1NCc1ccsc1 ZINC000063152792 370137138 /nfs/dbraw/zinc/13/71/38/370137138.db2.gz HAJIRZWHQULUBP-NEPJUHHUSA-N 0 0 220.341 2.920 10 30 BFEERN [O-]/[N+](=C/c1ccncc1)c1ccc(Cl)cc1 ZINC000225410572 370577881 /nfs/dbraw/zinc/57/78/81/370577881.db2.gz XWSUIJNDZKLHGS-OQLLNIDSSA-N 0 0 233.678 2.887 10 30 BFEERN Cc1cc(N2CCC(C)CC2)c(C#N)c(C)n1 ZINC000156538235 371441945 /nfs/dbraw/zinc/44/19/45/371441945.db2.gz REBQUFJUUATUIK-UHFFFAOYSA-N 0 0 229.327 2.806 10 30 BFEERN Cc1cc2cc(Br)c(C#N)nc2[nH]1 ZINC000096321098 371469850 /nfs/dbraw/zinc/46/98/50/371469850.db2.gz PECLYDRVGOPRNW-UHFFFAOYSA-N 0 0 236.072 2.506 10 30 BFEERN C[C@@H](CO)Sc1ccc(Cl)cc1C#N ZINC000162418011 371675022 /nfs/dbraw/zinc/67/50/22/371675022.db2.gz HHXWHLZLKDWHPC-ZETCQYMHSA-N 0 0 227.716 2.685 10 30 BFEERN C[C@@H](CO)Sc1cccc(Cl)c1C#N ZINC000162416081 371675051 /nfs/dbraw/zinc/67/50/51/371675051.db2.gz ZQVVZVXSQMGTDR-ZETCQYMHSA-N 0 0 227.716 2.685 10 30 BFEERN C[C@@H](CO)Sc1ccc(C#N)cc1Cl ZINC000162420193 371675274 /nfs/dbraw/zinc/67/52/74/371675274.db2.gz HCPJFUMKRFYBIM-ZETCQYMHSA-N 0 0 227.716 2.685 10 30 BFEERN C[C@@H]1CCC[C@@H](SC[C@@](C)(N)C#N)C1 ZINC000226537189 371691329 /nfs/dbraw/zinc/69/13/29/371691329.db2.gz RQXRABCSZYTCPN-MXWKQRLJSA-N 0 0 212.362 2.539 10 30 BFEERN Cc1cc(F)c(Br)cc1CC#N ZINC000216524743 371763139 /nfs/dbraw/zinc/76/31/39/371763139.db2.gz UCFHDPRIDKLWGA-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN C#CCn1cc(C=O)c2ccc(Cl)cc21 ZINC000132419208 371817072 /nfs/dbraw/zinc/81/70/72/371817072.db2.gz HWYXPZDLALLYQG-UHFFFAOYSA-N 0 0 217.655 2.740 10 30 BFEERN C#CC(=O)c1cc(C)c(Br)c(C)c1 ZINC000162885504 371875542 /nfs/dbraw/zinc/87/55/42/371875542.db2.gz KFGZPLNSZOHOFC-UHFFFAOYSA-N 0 0 237.096 2.882 10 30 BFEERN CCNc1cc(Br)cc(C#N)c1 ZINC000227603812 371902493 /nfs/dbraw/zinc/90/24/93/371902493.db2.gz BHCBUFKMEFORRW-UHFFFAOYSA-N 0 0 225.089 2.753 10 30 BFEERN CC(C)(C)Cc1noc(-c2cc(C#N)c[nH]2)n1 ZINC000230998298 371981013 /nfs/dbraw/zinc/98/10/13/371981013.db2.gz UZZQVBAGJVQSDR-UHFFFAOYSA-N 0 0 230.271 2.525 10 30 BFEERN CC#CCNc1ncc(C)cc1Br ZINC000163471961 372000539 /nfs/dbraw/zinc/00/05/39/372000539.db2.gz GELDRPVNHXDACB-UHFFFAOYSA-N 0 0 239.116 2.588 10 30 BFEERN N#Cc1ccc(Cl)c(C(F)(F)F)c1N ZINC000306583169 372040578 /nfs/dbraw/zinc/04/05/78/372040578.db2.gz CWJYZIGUMGSTSY-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN CN(c1nc(Cl)c(C#N)s1)C(C)(C)C ZINC000306681164 372054723 /nfs/dbraw/zinc/05/47/23/372054723.db2.gz NEOFFUBKEFEXNM-UHFFFAOYSA-N 0 0 229.736 2.903 10 30 BFEERN CC(C)[C@@H](S)C(=O)N(C)Cc1ccccc1 ZINC000232736225 372156071 /nfs/dbraw/zinc/15/60/71/372156071.db2.gz FBIHZDQZKJFKKL-GFCCVEGCSA-N 0 0 237.368 2.599 10 30 BFEERN N#Cc1c(O)cc(O)cc1-c1ccccc1 ZINC000039119116 372872389 /nfs/dbraw/zinc/87/23/89/372872389.db2.gz XCRZHXRLRCVYKL-UHFFFAOYSA-N 0 0 211.220 2.636 10 30 BFEERN C#CC(C)(C)NCc1ccc(Br)o1 ZINC000069678233 373584331 /nfs/dbraw/zinc/58/43/31/373584331.db2.gz VNVRWVVFZVVCHH-UHFFFAOYSA-N 0 0 242.116 2.544 10 30 BFEERN Cc1nn([C@@H]2CCC[C@@H]2C#N)cc1Cl ZINC000070689292 374177320 /nfs/dbraw/zinc/17/73/20/374177320.db2.gz RECUMVPXGUAQGV-PSASIEDQSA-N 0 0 209.680 2.710 10 30 BFEERN O=C1c2ccccc2N/C1=C/c1ccc(F)[nH]1 ZINC000045817546 182711645 /nfs/dbraw/zinc/71/16/45/182711645.db2.gz YSPOIJKDSMCOTN-YRNVUSSQSA-N 0 0 228.226 2.803 10 30 BFEERN O=C1c2ccccc2C/C1=C\c1cccnc1 ZINC000004774150 182712371 /nfs/dbraw/zinc/71/23/71/182712371.db2.gz UCAONOPVOXJPQZ-MDWZMJQESA-N 0 0 221.259 2.904 10 30 BFEERN CCCCOCCNc1ccc(F)c(C#N)c1 ZINC000051636371 168904039 /nfs/dbraw/zinc/90/40/39/168904039.db2.gz BWUCLLRNIYAVIL-UHFFFAOYSA-N 0 0 236.290 2.926 10 30 BFEERN O=[N+]([O-])c1ccc(N=NC2C[C@H]3CC=C[C@@H]23)cc1 ZINC000036261361 182934165 /nfs/dbraw/zinc/93/41/65/182934165.db2.gz UMWAQZYZZVEAOD-PCZPHVEJSA-N 0 0 243.266 2.959 10 30 BFEERN OCC#Cc1ccc2cc(OC(F)F)ccc2c1 ZINC000042477792 183032382 /nfs/dbraw/zinc/03/23/82/183032382.db2.gz WHXLENVBIWFFBO-UHFFFAOYSA-N 0 0 248.228 2.785 10 30 BFEERN OCC#Cc1ccccc1COc1ccccc1 ZINC000049620414 183034026 /nfs/dbraw/zinc/03/40/26/183034026.db2.gz UIVBGSPBBGHPMO-UHFFFAOYSA-N 0 0 238.286 2.609 10 30 BFEERN O[C@@H](C#Cc1ccccc1)Cc1ccccc1 ZINC000021995504 183173189 /nfs/dbraw/zinc/17/31/89/183173189.db2.gz UGNAFPHSPLPSAB-INIZCTEOSA-N 0 0 222.287 2.642 10 30 BFEERN CCCN(C)[C@@H](CC#N)c1ccccc1 ZINC000055020086 169085884 /nfs/dbraw/zinc/08/58/84/169085884.db2.gz MKJCLEUZPGGHPF-ZDUSSCGKSA-N 0 0 202.301 2.983 10 30 BFEERN SCc1ccc2c(c1)ncn2C1CC1 ZINC000077298137 183315798 /nfs/dbraw/zinc/31/57/98/183315798.db2.gz CCTCPJILYGRIQZ-UHFFFAOYSA-N 0 0 204.298 2.801 10 30 BFEERN CCCN[C@@H](C#N)c1c(F)cccc1F ZINC000020380570 169273853 /nfs/dbraw/zinc/27/38/53/169273853.db2.gz XCEGZWJGBZFSSJ-JTQLQIEISA-N 0 0 210.227 2.529 10 30 BFEERN CCCN[C@]1(C#N)CCSc2ccccc21 ZINC000020380713 169293496 /nfs/dbraw/zinc/29/34/96/169293496.db2.gz ARILDMNNNAZPJV-ZDUSSCGKSA-N 0 0 232.352 2.901 10 30 BFEERN CCCOc1cccc([C@@H](C#N)N(C)C)c1 ZINC000019934913 169326071 /nfs/dbraw/zinc/32/60/71/169326071.db2.gz UCUWAJSTRWQDPI-CYBMUJFWSA-N 0 0 218.300 2.602 10 30 BFEERN CCC[C@@H](C)N(C)c1ccc(N)cc1C#N ZINC000041020982 169366180 /nfs/dbraw/zinc/36/61/80/169366180.db2.gz AWZSBYFIHUJKAW-SNVBAGLBSA-N 0 0 217.316 2.765 10 30 BFEERN CC[C@H](C#N)NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000181336209 134335624 /nfs/dbraw/zinc/33/56/24/134335624.db2.gz OOYDGPNGHGWFMP-QJPTWQEYSA-N 0 0 236.359 2.867 10 30 BFEERN C[C@H](C#N)N1CCCC2(CCCCC2)C1 ZINC000181871610 134340214 /nfs/dbraw/zinc/34/02/14/134340214.db2.gz VXMBVYVWJGMRBD-GFCCVEGCSA-N 0 0 206.333 2.945 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1ccc(C#N)nc1 ZINC000226804887 169539326 /nfs/dbraw/zinc/53/93/26/169539326.db2.gz QNGIUNSFLWIWIN-JOYOIKCWSA-N 0 0 201.273 2.554 10 30 BFEERN N#CCc1cc(F)c(C(F)(F)F)cc1C#N ZINC000575649683 383983203 /nfs/dbraw/zinc/98/32/03/383983203.db2.gz RYKJLIXEVFSAFM-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN O=C1CCCC/C1=C\c1ccc(O)cc1 ZINC000073733845 384021049 /nfs/dbraw/zinc/02/10/49/384021049.db2.gz BVBDQUGWHKRZSJ-PKNBQFBNSA-N 0 0 202.253 2.919 10 30 BFEERN C[C@H](CC=O)[C@H]1CC[C@@H]2[C@@H](O)CCC[C@]12C ZINC000069592636 384050630 /nfs/dbraw/zinc/05/06/30/384050630.db2.gz VOGYKSPKFRPORP-XGFWRYKXSA-N 0 0 224.344 2.789 10 30 BFEERN Cc1ccc([C@H](C)NCc2ccc(C#N)o2)o1 ZINC000135131414 384051920 /nfs/dbraw/zinc/05/19/20/384051920.db2.gz OHDTUEKSVZYJCG-JTQLQIEISA-N 0 0 230.267 2.904 10 30 BFEERN C=C(OC)C(C(C)=O)C(=O)c1ccc(F)cc1 ZINC000072416122 384111296 /nfs/dbraw/zinc/11/12/96/384111296.db2.gz KIEOZXYOTRCQRA-FMIVXFBMSA-N 0 0 236.242 2.518 10 30 BFEERN CC(C)(C#N)C(=O)N[C@H]1CCCc2ccccc21 ZINC000042091440 384204136 /nfs/dbraw/zinc/20/41/36/384204136.db2.gz GSNAZZMMZPLNGD-ZDUSSCGKSA-N 0 0 242.322 2.730 10 30 BFEERN CCc1cc(CC#N)c(OC(F)F)cc1O ZINC000575655512 384354208 /nfs/dbraw/zinc/35/42/08/384354208.db2.gz PEKRXGQHDXLWGW-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN Cc1ccc(C[C@H]2COCC[C@@H]2S)cc1 ZINC000095089995 384360208 /nfs/dbraw/zinc/36/02/08/384360208.db2.gz PMYNMMOZKGBCHA-STQMWFEESA-N 0 0 222.353 2.872 10 30 BFEERN CCc1cc(CC#N)cc(OC(F)F)c1O ZINC000575656247 384365076 /nfs/dbraw/zinc/36/50/76/384365076.db2.gz ROOQHBSTXBPZAS-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN O=C1C(Cl)=C(Cl)C(=O)C1=C(Cl)Cl ZINC000095817216 384397627 /nfs/dbraw/zinc/39/76/27/384397627.db2.gz YABWQIXQVBAMGN-UHFFFAOYSA-N 0 0 245.876 2.517 10 30 BFEERN CCOc1ccc(C#N)c(C)c1OC(F)F ZINC000575659065 384399799 /nfs/dbraw/zinc/39/97/99/384399799.db2.gz YTXNOOWBZXTIJC-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN Cc1cc(CC#N)cc(OC(F)F)c1F ZINC000575661055 384413887 /nfs/dbraw/zinc/41/38/87/384413887.db2.gz HDUNRVSVCJWGMC-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN COc1cc(CC#N)c(OC(F)F)cc1C ZINC000575664077 384427080 /nfs/dbraw/zinc/42/70/80/384427080.db2.gz BEMZOOIUWAPIRC-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN c1ccc2sc(S[C@H]3CO3)nc2c1 ZINC000045235762 384384251 /nfs/dbraw/zinc/38/42/51/384384251.db2.gz DKVIMVUONVVHLI-QMMMGPOBSA-N 0 0 209.295 2.745 10 30 BFEERN N#CCc1c(O)cc(F)cc1C(F)F ZINC000575669195 384453739 /nfs/dbraw/zinc/45/37/39/384453739.db2.gz YFXQUZDDTSICRA-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN COc1ccc(CC#N)c(OC(F)F)c1C ZINC000575665004 384429098 /nfs/dbraw/zinc/42/90/98/384429098.db2.gz NDWMPJSQZBLOMX-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN N#CCc1cc(O)c(Br)cc1Cl ZINC000575676898 384484673 /nfs/dbraw/zinc/48/46/73/384484673.db2.gz WTNXQLDVCWMMCY-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN C[C@@H]1C[C@H]1C(=O)Nc1cc(Cl)ccc1C#N ZINC000070268739 384515577 /nfs/dbraw/zinc/51/55/77/384515577.db2.gz UGMCPWLQZWUGME-GMSGAONNSA-N 0 0 234.686 2.806 10 30 BFEERN C[C@@H]1C[C@H](C)Cc2sc(N)c(C#N)c21 ZINC000082857236 384579223 /nfs/dbraw/zinc/57/92/23/384579223.db2.gz CLDWILBRYDRQFF-NKWVEPMBSA-N 0 0 206.314 2.888 10 30 BFEERN O=C(C=C(O)C=Cc1cccs1)C(F)F ZINC000100316302 384634044 /nfs/dbraw/zinc/63/40/44/384634044.db2.gz TWKGUONFUKNOOM-ONEGZZNKSA-N 0 0 230.235 2.555 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@@H]1C=O ZINC000098096001 384594066 /nfs/dbraw/zinc/59/40/66/384594066.db2.gz MJXWXYLRAYWJGA-GHMZBOCLSA-N 0 0 241.331 2.659 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H]1CCCCC[C@H]1C=O ZINC000098096003 384594082 /nfs/dbraw/zinc/59/40/82/384594082.db2.gz MJXWXYLRAYWJGA-WDEREUQCSA-N 0 0 241.331 2.659 10 30 BFEERN O=C[C@@H](c1ccc(O)cc1)C1CCCC1 ZINC000098179269 384599525 /nfs/dbraw/zinc/59/95/25/384599525.db2.gz UUBMASKDWMPULO-CYBMUJFWSA-N 0 0 204.269 2.865 10 30 BFEERN CCCC(=CC(=O)OC)NCc1ccccc1 ZINC000100409495 384640179 /nfs/dbraw/zinc/64/01/79/384640179.db2.gz OAUJKDGMJGXEHN-FYWRMAATSA-N 0 0 233.311 2.991 10 30 BFEERN O=C1c2ccc3ccccc3c2S/C1=N\O ZINC000102135134 384699545 /nfs/dbraw/zinc/69/95/45/384699545.db2.gz JKZZQGBZBOQLOY-SEYXRHQNSA-N 0 0 229.260 2.916 10 30 BFEERN C[C@@H]1CCC[C@](C#N)(NC(=O)C[C@@H]2C=CCC2)C1 ZINC000247025145 384736081 /nfs/dbraw/zinc/73/60/81/384736081.db2.gz NEALNDUUFUNPID-NFAWXSAZSA-N 0 0 246.354 2.931 10 30 BFEERN C[C@H](N[C@H]1CCCC[C@@H]1C#N)c1ccccn1 ZINC000054825143 384818889 /nfs/dbraw/zinc/81/88/89/384818889.db2.gz LLGVQDZFVUJQTH-SCRDCRAPSA-N 0 0 229.327 2.815 10 30 BFEERN N#CCCCN1CCC[C@H]1c1nccs1 ZINC000370784177 384853508 /nfs/dbraw/zinc/85/35/08/384853508.db2.gz UQIUFYUUNMOFIY-JTQLQIEISA-N 0 0 221.329 2.584 10 30 BFEERN N#CCc1ccc(Br)c(Cl)c1N ZINC000575715068 384865698 /nfs/dbraw/zinc/86/56/98/384865698.db2.gz ZWCKWUNPDJRCGC-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN Cc1ccc(C(F)(F)F)c(CC#N)c1N ZINC000575719301 384891886 /nfs/dbraw/zinc/89/18/86/384891886.db2.gz AHZLCEVUBXVGHI-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN CCc1ccc(C(F)(F)F)c(N)c1CC#N ZINC000575719260 384891893 /nfs/dbraw/zinc/89/18/93/384891893.db2.gz YTJCWUHDRMQGGT-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN Cc1ccc(C(F)(F)F)c(N)c1CC#N ZINC000575719837 384894509 /nfs/dbraw/zinc/89/45/09/384894509.db2.gz MDZFUXWUQIZLFU-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN Cc1nc(CN[C@@H]2CCC[C@@H]2C#N)sc1C ZINC000336145075 384922840 /nfs/dbraw/zinc/92/28/40/384922840.db2.gz PLWQBODVJPVNJW-GHMZBOCLSA-N 0 0 235.356 2.542 10 30 BFEERN Cc1nc(CN[C@@H]2CCC[C@H]2C#N)sc1C ZINC000336145078 384923344 /nfs/dbraw/zinc/92/33/44/384923344.db2.gz PLWQBODVJPVNJW-WDEREUQCSA-N 0 0 235.356 2.542 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1CCCCCC1 ZINC000061888457 384988207 /nfs/dbraw/zinc/98/82/07/384988207.db2.gz ACFWSACDVSMOMF-QWHCGFSZSA-N 0 0 234.343 2.765 10 30 BFEERN CC(C)c1cc(NCC#N)nc(C(C)C)n1 ZINC000302782965 385017324 /nfs/dbraw/zinc/01/73/24/385017324.db2.gz TUZPIHSVNDVMMB-UHFFFAOYSA-N 0 0 218.304 2.659 10 30 BFEERN Cc1cc(C)c(C#N)c(Br)c1 ZINC000059444018 385048816 /nfs/dbraw/zinc/04/88/16/385048816.db2.gz STMJPTGFYFMJAG-UHFFFAOYSA-N 0 0 210.074 2.938 10 30 BFEERN C/C(=N\O)c1ccc(-n2ccnc2C)c(F)c1 ZINC000058824550 385026455 /nfs/dbraw/zinc/02/64/55/385026455.db2.gz WZBSOOCEMXSMRI-OVCLIPMQSA-N 0 0 233.246 2.518 10 30 BFEERN C[C@@H]1CC(CNc2cc(C#N)ccn2)C[C@@H](C)O1 ZINC000287658812 385219413 /nfs/dbraw/zinc/21/94/13/385219413.db2.gz ILNYYHNSFRYHHF-GHMZBOCLSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@@H]1CCC[C@H](CC(=O)N[C@H](C#N)C2CC2)C1 ZINC000408063482 385517101 /nfs/dbraw/zinc/51/71/01/385517101.db2.gz VNXPCFAPYMDOEH-NTZNESFSSA-N 0 0 234.343 2.621 10 30 BFEERN C=CC(=O)c1cccc(Br)c1 ZINC000002579500 385621979 /nfs/dbraw/zinc/62/19/79/385621979.db2.gz GRILSVOMBCDBTK-UHFFFAOYSA-N 0 0 211.058 2.818 10 30 BFEERN Cc1cc(O)c(C#N)c(C)c1Br ZINC000260024263 385651650 /nfs/dbraw/zinc/65/16/50/385651650.db2.gz JFZHFFHUFWFYKU-UHFFFAOYSA-N 0 0 226.073 2.643 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1cccnc1C#N ZINC000290839171 385656840 /nfs/dbraw/zinc/65/68/40/385656840.db2.gz VQLWIMJWEZLXHZ-KOLCDFICSA-N 0 0 201.273 2.554 10 30 BFEERN CC#C[C@@H](O)c1cccc(Br)c1 ZINC000307318353 385852736 /nfs/dbraw/zinc/85/27/36/385852736.db2.gz QKMALUDYELEYKV-SNVBAGLBSA-N 0 0 225.085 2.506 10 30 BFEERN N#CCc1c(F)c(F)ccc1OC(F)F ZINC000396124066 385886126 /nfs/dbraw/zinc/88/61/26/385886126.db2.gz GRKZRQHDVGHKFS-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN CC(C)C(=O)[C@@H](C#N)Cc1ccccc1 ZINC000261508461 386028938 /nfs/dbraw/zinc/02/89/38/386028938.db2.gz SRPUVKGWIRBDLJ-GFCCVEGCSA-N 0 0 201.269 2.594 10 30 BFEERN CCCCCOc1ccc(/C=C/C(=O)NO)cc1 ZINC000005298767 386070339 /nfs/dbraw/zinc/07/03/39/386070339.db2.gz AVJWTAOORQVSBO-JXMROGBWSA-N 0 0 249.310 2.774 10 30 BFEERN N#CCC(=O)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000129500441 386467860 /nfs/dbraw/zinc/46/78/60/386467860.db2.gz MMEIIJLQBPDEBZ-JGVFFNPUSA-N 0 0 219.206 2.838 10 30 BFEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(C)c1 ZINC000061889125 386492612 /nfs/dbraw/zinc/49/26/12/386492612.db2.gz SRSTZRWIEJFLKY-GXTWGEPZSA-N 0 0 242.322 2.726 10 30 BFEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c(C)c1 ZINC000061889123 386492890 /nfs/dbraw/zinc/49/28/90/386492890.db2.gz SRSTZRWIEJFLKY-TZMCWYRMSA-N 0 0 242.322 2.726 10 30 BFEERN C[C@H]1CCC[C@]1(O)c1cccc(C#N)c1 ZINC000521401776 386463391 /nfs/dbraw/zinc/46/33/91/386463391.db2.gz OYCXERHTPDZLNM-GXFFZTMASA-N 0 0 201.269 2.566 10 30 BFEERN COc1cc(C(F)F)c(CC#N)cc1C#N ZINC000575644046 386583794 /nfs/dbraw/zinc/58/37/94/386583794.db2.gz WLVQRJLFDSFNCH-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN COC(=O)c1cc(C(F)(F)F)c(C#N)cc1F ZINC000575345161 386709553 /nfs/dbraw/zinc/70/95/53/386709553.db2.gz ZIMKBMYKIHNFQC-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN C[C@H](NCC#N)c1ccc(Cl)s1 ZINC000042588023 386686909 /nfs/dbraw/zinc/68/69/09/386686909.db2.gz HIIUOLBYRJTFRS-LURJTMIESA-N 0 0 200.694 2.576 10 30 BFEERN CCOC(=O)c1ccc(C#N)c(C)c1C(F)F ZINC000575343504 386690749 /nfs/dbraw/zinc/69/07/49/386690749.db2.gz ALBSUUAUMVVESM-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN CCOC(=O)c1cc(C#N)cc(C(F)F)c1C ZINC000575343592 386690782 /nfs/dbraw/zinc/69/07/82/386690782.db2.gz MXRKKLLXUDVBHW-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)Cc1c(C)c(C#N)ccc1C(F)F ZINC000575343766 386691314 /nfs/dbraw/zinc/69/13/14/386691314.db2.gz HNGCSWFDNSLANT-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN COC(=O)Cc1c(C)ccc(C(F)F)c1C#N ZINC000575343953 386691397 /nfs/dbraw/zinc/69/13/97/386691397.db2.gz KQZQOJRGAGGFGU-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN CCOC(=O)c1c(C#N)cc(C)cc1C(F)F ZINC000575343647 386692172 /nfs/dbraw/zinc/69/21/72/386692172.db2.gz VJUOJXSAICOOGW-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)c1c(C#N)c(F)ccc1C(F)(F)F ZINC000575344847 386712019 /nfs/dbraw/zinc/71/20/19/386712019.db2.gz BBTNAXCFXMHNPH-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN COC(=O)c1cc(C#N)c(C(F)(F)F)cc1F ZINC000575345073 386712142 /nfs/dbraw/zinc/71/21/42/386712142.db2.gz VIYTXKASEMXZQD-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN O=CCCCCCOc1ccccc1[N+](=O)[O-] ZINC000575448336 386699872 /nfs/dbraw/zinc/69/98/72/386699872.db2.gz VQZLGCDWGOAUIN-UHFFFAOYSA-N 0 0 237.255 2.733 10 30 BFEERN N#Cc1c(F)cccc1C(=O)C(F)(F)C(F)F ZINC000575361691 386764435 /nfs/dbraw/zinc/76/44/35/386764435.db2.gz GORRWSARMKSSSL-UHFFFAOYSA-N 0 0 249.138 2.780 10 30 BFEERN CCOC(=O)Cc1c(CC)cc(C#N)cc1CC ZINC000575385254 386943747 /nfs/dbraw/zinc/94/37/47/386943747.db2.gz GWJSXTFAZWVOPM-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)Cc1c(C#N)cc(CC)cc1CC ZINC000575385188 386943852 /nfs/dbraw/zinc/94/38/52/386943852.db2.gz BAQJDAWQCSACPW-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)c1cc(C#N)c(CC)c(CC)c1 ZINC000575385607 386945376 /nfs/dbraw/zinc/94/53/76/386945376.db2.gz RLTHMVBEICJLMV-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)Cc1ccc(C#N)c(CC)c1C ZINC000575389005 386953108 /nfs/dbraw/zinc/95/31/08/386953108.db2.gz PWLCMWPEOSRHIT-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1cc(C(=O)OC)cc(C(F)F)c1C#N ZINC000575389687 386955184 /nfs/dbraw/zinc/95/51/84/386955184.db2.gz JDMYPLCGTALSEL-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)c1c(F)ccc(C(F)F)c1C#N ZINC000575389771 386955372 /nfs/dbraw/zinc/95/53/72/386955372.db2.gz QZPUIPJCTKUOOF-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)Cc1c(C#N)cc([S-])cc1CC ZINC000575387966 386957984 /nfs/dbraw/zinc/95/79/84/386957984.db2.gz BPYLDPQZSICXEG-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN CCOC(=O)Cc1c([S-])cc(CC)cc1C#N ZINC000575387993 386958480 /nfs/dbraw/zinc/95/84/80/386958480.db2.gz IPMNJMGGQDQNGA-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN CCOC(=O)Cc1c([S-])ccc(C#N)c1CC ZINC000575388003 386959140 /nfs/dbraw/zinc/95/91/40/386959140.db2.gz KHGKNMQPUUWDGQ-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN CC(C)(C)Oc1nc(Cl)c(C#N)s1 ZINC000307637070 386962229 /nfs/dbraw/zinc/96/22/29/386962229.db2.gz XYFIYHCNXDEMQB-UHFFFAOYSA-N 0 0 216.693 2.845 10 30 BFEERN COC(=O)c1ccc(C)c(C(F)(F)F)c1C#N ZINC000575394326 386992120 /nfs/dbraw/zinc/99/21/20/386992120.db2.gz DDFMHIKCBJMFLW-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1cc(C)c(C#N)cc1C(F)(F)F ZINC000575394395 386992259 /nfs/dbraw/zinc/99/22/59/386992259.db2.gz GRRUBWMNOCBCFD-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1c(C)ccc(C(F)(F)F)c1C#N ZINC000575394447 386992653 /nfs/dbraw/zinc/99/26/53/386992653.db2.gz IGFSOTTWQJATNY-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN CN(C)c1c(CC#N)cccc1OC(F)(F)F ZINC000575396950 387002154 /nfs/dbraw/zinc/00/21/54/387002154.db2.gz AYUSORHWZFMOJM-UHFFFAOYSA-N 0 0 244.216 2.717 10 30 BFEERN CN(C)c1cccc(OC(F)(F)F)c1CC#N ZINC000575396974 387003716 /nfs/dbraw/zinc/00/37/16/387003716.db2.gz IFTPIUKZWROKSF-UHFFFAOYSA-N 0 0 244.216 2.717 10 30 BFEERN CCOC(=O)Cc1ccc(C)c(C#N)c1CC ZINC000575388734 386951705 /nfs/dbraw/zinc/95/17/05/386951705.db2.gz AYARTMJHONYFFK-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN Cc1nnc(N[C@@H](C)c2ccco2)c(C#N)c1C ZINC000040217346 386952182 /nfs/dbraw/zinc/95/21/82/386952182.db2.gz ZLWMKAHNLQMECQ-JTQLQIEISA-N 0 0 242.282 2.731 10 30 BFEERN CCOc1cc(F)c(OC(F)F)cc1C#N ZINC000575654741 387038403 /nfs/dbraw/zinc/03/84/03/387038403.db2.gz FCOJTOPXRBCKIR-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCc1c(O)c(CC#N)ccc1OC(F)F ZINC000575655000 387038494 /nfs/dbraw/zinc/03/84/94/387038494.db2.gz JPSDLJVOWYHKGK-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCOc1c(CC#N)cc(F)cc1OC(F)F ZINC000575655438 387039204 /nfs/dbraw/zinc/03/92/04/387039204.db2.gz FSVFCEZDIKQPDY-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCOc1c(C)cc(OC(F)F)cc1C#N ZINC000575658069 387045452 /nfs/dbraw/zinc/04/54/52/387045452.db2.gz QKNKGLUMJLTPQC-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1c(F)cc(CC#N)cc1OC(F)F ZINC000575657877 387045814 /nfs/dbraw/zinc/04/58/14/387045814.db2.gz WZCBONYDLRUYIF-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN Cc1cc(C#N)c(OC(F)F)cc1F ZINC000575660956 387051054 /nfs/dbraw/zinc/05/10/54/387051054.db2.gz FCLLCLZBAYCYEJ-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN COc1cc(CC#N)c(F)c(OC(F)F)c1 ZINC000575659627 387052038 /nfs/dbraw/zinc/05/20/38/387052038.db2.gz HPFJCFVMGYYHNT-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN Cc1c(F)cc(OC(F)F)cc1C#N ZINC000575660866 387052971 /nfs/dbraw/zinc/05/29/71/387052971.db2.gz BMPVZUPGERDHKJ-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN Cc1c(F)c(C#N)ccc1OC(F)F ZINC000575661079 387053057 /nfs/dbraw/zinc/05/30/57/387053057.db2.gz IGYXYILAOJYWSX-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN CCc1cc(C#N)cc(OC(F)F)c1[N+](=O)[O-] ZINC000575660476 387053818 /nfs/dbraw/zinc/05/38/18/387053818.db2.gz WJLZQGYBBGGVLZ-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN COc1c(CC#N)cc(F)cc1OC(F)F ZINC000575660309 387054031 /nfs/dbraw/zinc/05/40/31/387054031.db2.gz RPDGUKYVPLDHKH-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN C#Cc1sc2nc(C(F)(F)F)ccc2c1N ZINC000575434220 387057901 /nfs/dbraw/zinc/05/79/01/387057901.db2.gz IRFPMUQMMZZVOA-UHFFFAOYSA-N 0 0 242.225 2.879 10 30 BFEERN N#Cc1c(F)nccc1-c1ccc(F)cc1 ZINC000575434288 387058486 /nfs/dbraw/zinc/05/84/86/387058486.db2.gz KWXPAAWDQTUCAH-UHFFFAOYSA-N 0 0 216.190 2.898 10 30 BFEERN C[C@@H]1CSC(Nc2ccc(F)cc2)=N1 ZINC000035294938 387071207 /nfs/dbraw/zinc/07/12/07/387071207.db2.gz LTEXBCSUMNGGNR-SSDOTTSWSA-N 0 0 210.277 2.538 10 30 BFEERN Cc1c(C#N)ccc(F)c1OC(F)F ZINC000575661674 387113192 /nfs/dbraw/zinc/11/31/92/387113192.db2.gz SPEFCKSOWWEXJV-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN C=C1CC[C@@H](O)[C@]2(C)CC[C@@H](C(C)C)[C@H](O)[C@@H]12 ZINC000034235782 387118785 /nfs/dbraw/zinc/11/87/85/387118785.db2.gz WKKJGHCXVKEJNU-QRTUWBSPSA-N 0 0 238.371 2.747 10 30 biogenic,in-vitro BFEERN N#CCNc1ccc(F)c(Br)c1F ZINC000575485190 387254051 /nfs/dbraw/zinc/25/40/51/387254051.db2.gz LGWLBLJEBMCMRX-UHFFFAOYSA-N 0 0 247.042 2.663 10 30 BFEERN Cc1cccc(C)c1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000230227476 387250635 /nfs/dbraw/zinc/25/06/35/387250635.db2.gz QVJJYNDOWBKKQD-OLZOCXBDSA-N 0 0 242.322 2.726 10 30 BFEERN CCCC1CC(Cn2nc(C#N)cc2C)C1 ZINC000575602075 387368662 /nfs/dbraw/zinc/36/86/62/387368662.db2.gz KJJMZLDBATUTKX-UHFFFAOYSA-N 0 0 217.316 2.890 10 30 BFEERN C#CC(=O)c1ccc(Br)c(F)c1C ZINC000575505994 387373248 /nfs/dbraw/zinc/37/32/48/387373248.db2.gz BLFQUKQBPIOQCL-UHFFFAOYSA-N 0 0 241.059 2.713 10 30 BFEERN Cc1ccc([N+](=O)[O-])c(CC#N)c1OC(F)F ZINC000575667119 387319688 /nfs/dbraw/zinc/31/96/88/387319688.db2.gz KPDVYGQSUHVNDQ-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN N#CCc1cc(F)cc(O)c1C(F)F ZINC000575668626 387327261 /nfs/dbraw/zinc/32/72/61/387327261.db2.gz SQBZMIIHOPSYMK-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN N#Cc1c(C(F)F)cc(F)cc1[N+](=O)[O-] ZINC000575669904 387330549 /nfs/dbraw/zinc/33/05/49/387330549.db2.gz SBZMPMAQZSYGFG-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN CCOc1cc(OC(F)(F)F)c(F)cc1C#N ZINC000575670295 387330770 /nfs/dbraw/zinc/33/07/70/387330770.db2.gz IUUJZHXOUZIHKJ-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN COc1ccc(OC)c(C(F)(F)F)c1C#N ZINC000575671551 387333738 /nfs/dbraw/zinc/33/37/38/387333738.db2.gz MCTAIJQXQQJBGS-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN CCOc1cc(C#N)cc(OC(F)(F)F)c1F ZINC000575671403 387335090 /nfs/dbraw/zinc/33/50/90/387335090.db2.gz XIVGVZGUOMYXPJ-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN Cc1cc(C(F)F)c([N+](=O)[O-])cc1C#N ZINC000575671979 387341544 /nfs/dbraw/zinc/34/15/44/387341544.db2.gz POZYZCIZVOGYAF-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN Cc1cc([N+](=O)[O-])c(C(F)(F)F)cc1CC#N ZINC000575673713 387342443 /nfs/dbraw/zinc/34/24/43/387342443.db2.gz MIHKWJLIFPMWGC-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN C=C(C)[C@@H](O)c1ccc(Br)cc1N ZINC000575517052 387426571 /nfs/dbraw/zinc/42/65/71/387426571.db2.gz HYVSVVPVVDNXIB-SNVBAGLBSA-N 0 0 242.116 2.641 10 30 BFEERN O=C(/C=C/Cl)c1ccc(Br)cn1 ZINC000575517008 387426804 /nfs/dbraw/zinc/42/68/04/387426804.db2.gz HIPYVBRXQKJSJN-ONEGZZNKSA-N 0 0 246.491 2.779 10 30 BFEERN CCOc1cc(N)c(CC#N)c(C(F)(F)F)c1 ZINC000575717292 387434754 /nfs/dbraw/zinc/43/47/54/387434754.db2.gz FCCSGUACRQJPQQ-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN CCOc1cc(C(F)(F)F)cc(N)c1CC#N ZINC000575717123 387434890 /nfs/dbraw/zinc/43/48/90/387434890.db2.gz CBBHWYZYRNZXJN-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN CCOc1c(C(F)(F)F)ccc(N)c1CC#N ZINC000575717428 387435062 /nfs/dbraw/zinc/43/50/62/387435062.db2.gz GVJMEGVNKNMCFK-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN CCOc1cc(CC)c(CC#N)cc1F ZINC000575697473 387390825 /nfs/dbraw/zinc/39/08/25/387390825.db2.gz YXOSHVDMLOSUTQ-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN CCOc1cc(CC#N)c([N+](=O)[O-])cc1CC ZINC000575696309 387397439 /nfs/dbraw/zinc/39/74/39/387397439.db2.gz LQJDVGGFUPKQCA-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN CCOc1cc(CC)c(CC#N)c([N+](=O)[O-])c1 ZINC000575697155 387399265 /nfs/dbraw/zinc/39/92/65/387399265.db2.gz VOKKBJSYJDRPKF-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN N#CCc1cc(N)c(Br)cc1Cl ZINC000575714355 387409517 /nfs/dbraw/zinc/40/95/17/387409517.db2.gz MMCUSYOAFXEHHT-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN COc1cc(CC#N)c(F)cc1OC(F)(F)F ZINC000575709266 387413370 /nfs/dbraw/zinc/41/33/70/387413370.db2.gz UTMWAJVQMUJDJS-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN COC(=O)c1cc(C(F)F)cc(C#N)c1Cl ZINC000575712514 387417191 /nfs/dbraw/zinc/41/71/91/387417191.db2.gz KOFIMJADIVZVOB-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN COC(=O)c1c(C#N)ccc(Cl)c1C(F)F ZINC000575712504 387417414 /nfs/dbraw/zinc/41/74/14/387417414.db2.gz KJTWLLXJKCWQAE-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN N#CCc1c(N)c(Br)ccc1Cl ZINC000575714128 387419394 /nfs/dbraw/zinc/41/93/94/387419394.db2.gz LFNAPLKYWKZKAW-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN O=CC[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1c1cccnc1 ZINC000584599584 387501255 /nfs/dbraw/zinc/50/12/55/387501255.db2.gz DCDRIZJJQSOHSU-UVLXDEKHSA-N 0 0 215.296 2.800 10 30 BFEERN C#CCNc1cccc(Br)c1F ZINC000575524845 387528756 /nfs/dbraw/zinc/52/87/56/387528756.db2.gz VUFURKWFVIUOIO-UHFFFAOYSA-N 0 0 228.064 2.633 10 30 BFEERN CCc1cc(CC#N)cc(C#N)c1OC(F)F ZINC000575639381 387836462 /nfs/dbraw/zinc/83/64/62/387836462.db2.gz GRRRVWUEOYJLRW-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN Cc1c(CC#N)ccc(C#N)c1OC(F)F ZINC000575641182 387840675 /nfs/dbraw/zinc/84/06/75/387840675.db2.gz NWIBRMGKWCTZSX-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CCOc1cc(C(F)F)c(CC#N)cc1C#N ZINC000575642142 387846440 /nfs/dbraw/zinc/84/64/40/387846440.db2.gz SQYDZRYWTZNPEH-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccccc1Cl ZINC000061888369 387847761 /nfs/dbraw/zinc/84/77/61/387847761.db2.gz YJFQKBFWTBNVTE-JOYOIKCWSA-N 0 0 248.713 2.762 10 30 BFEERN N#Cc1nc2ccc(OC(F)F)cc2s1 ZINC000238535192 387874586 /nfs/dbraw/zinc/87/45/86/387874586.db2.gz FOXLHHZLBLPBIT-UHFFFAOYSA-N 0 0 226.207 2.769 10 30 BFEERN CCOc1cc(CC)cc(C#N)c1CC#N ZINC000575643546 387867794 /nfs/dbraw/zinc/86/77/94/387867794.db2.gz RNNQYSMAPPIUQW-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000230055054 387868156 /nfs/dbraw/zinc/86/81/56/387868156.db2.gz BPCJZVGMHOQBMC-RISCZKNCSA-N 0 0 242.322 2.611 10 30 BFEERN Cc1cc(C(F)(F)F)c(C#N)cc1CC#N ZINC000575650754 387891550 /nfs/dbraw/zinc/89/15/50/387891550.db2.gz ZIHCSJVJWIQJNK-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN CCc1cc(C#N)c(F)c(OC(F)F)c1 ZINC000575653220 387894005 /nfs/dbraw/zinc/89/40/05/387894005.db2.gz BJNWCBWHXLMOSE-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN N#CCc1cc(OC(F)(F)F)cc(C#N)c1F ZINC000575644776 387876237 /nfs/dbraw/zinc/87/62/37/387876237.db2.gz AYUXZCHLMPYAML-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN COc1c(C#N)c(CC#N)ccc1C(F)(F)F ZINC000575645218 387879535 /nfs/dbraw/zinc/87/95/35/387879535.db2.gz AUQJRZYQSCMKSW-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN Cc1c(Br)c([N+](=O)[O-])ccc1C#N ZINC000306612405 387907972 /nfs/dbraw/zinc/90/79/72/387907972.db2.gz INLCCULVDAKLMD-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN C=CC[N@@H+]1CCC[C@H](c2nccs2)C1 ZINC000195341288 387919573 /nfs/dbraw/zinc/91/95/73/387919573.db2.gz SVSDSNJAYRMWML-JTQLQIEISA-N 0 0 208.330 2.509 10 30 BFEERN Cc1cc(C)c2c(c1)n(CCC#N)ccc2=O ZINC000053994907 387977036 /nfs/dbraw/zinc/97/70/36/387977036.db2.gz UEXHWTVMMDFVBC-UHFFFAOYSA-N 0 0 226.279 2.532 10 30 BFEERN C[C@H]1CC[C@H](NC(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000461962607 388263218 /nfs/dbraw/zinc/26/32/18/388263218.db2.gz DGPJXHLCRGBAMB-CYDGBPFRSA-N 0 0 249.358 2.557 10 30 BFEERN CC[C@H]1C[C@H]1Nc1ccc(C#N)cc1F ZINC000227014444 388356661 /nfs/dbraw/zinc/35/66/61/388356661.db2.gz IKMWZFRHWIHDJF-JOYOIKCWSA-N 0 0 204.248 2.908 10 30 BFEERN C[C@H]1OCC[C@@H]1Nc1c(Cl)cccc1C#N ZINC000270826703 388368159 /nfs/dbraw/zinc/36/81/59/388368159.db2.gz ZWJISPBKMSVPGW-KCJUWKMLSA-N 0 0 236.702 2.801 10 30 BFEERN CSC1(CNc2cc(C)nc(C)c2C#N)CC1 ZINC000227989478 388375630 /nfs/dbraw/zinc/37/56/30/388375630.db2.gz RNYBMGGWZBZXAN-UHFFFAOYSA-N 0 0 247.367 2.878 10 30 BFEERN CC#CCC(=O)[C@@H]1SCCS[C@H]1CC ZINC000228083519 388378244 /nfs/dbraw/zinc/37/82/44/388378244.db2.gz OZGBJZMUYPXDEA-QWRGUYRKSA-N 0 0 228.382 2.596 10 30 BFEERN C[C@@H](O)c1ccc(-c2ccc(C#N)n2C)cc1 ZINC000058591583 388387090 /nfs/dbraw/zinc/38/70/90/388387090.db2.gz RPEVCZKZUHHEQQ-SNVBAGLBSA-N 0 0 226.279 2.617 10 30 BFEERN CC(C)(C)C[C@@H]1CCCN1c1nccnc1C#N ZINC000301146698 388609156 /nfs/dbraw/zinc/60/91/56/388609156.db2.gz BBHITWZHLZQBLT-NSHDSACASA-N 0 0 244.342 2.753 10 30 BFEERN Cc1cc(F)cc(C#N)c1Br ZINC000299888953 388619618 /nfs/dbraw/zinc/61/96/18/388619618.db2.gz BAOZKPSIBNBFJW-UHFFFAOYSA-N 0 0 214.037 2.768 10 30 BFEERN Cc1ccc(N[C@H](C)C(C)C)nc1C#N ZINC000302707656 388625842 /nfs/dbraw/zinc/62/58/42/388625842.db2.gz KHQKLSDWTLIUAQ-SNVBAGLBSA-N 0 0 203.289 2.718 10 30 BFEERN Cc1cc(C#CCCO)ccc1OCC(C)C ZINC000063062945 177724571 /nfs/dbraw/zinc/72/45/71/177724571.db2.gz YVJLENXGWAGSKD-UHFFFAOYSA-N 0 0 232.323 2.764 10 30 BFEERN N#Cc1cccc(NNc2ccccc2)c1 ZINC000075617980 388660890 /nfs/dbraw/zinc/66/08/90/388660890.db2.gz WWDTXERQSODZHI-UHFFFAOYSA-N 0 0 209.252 2.997 10 30 BFEERN C[C@@H]1C[C@H]1Nc1c(F)cc(C#N)cc1F ZINC000075721280 388661923 /nfs/dbraw/zinc/66/19/23/388661923.db2.gz ZMKCLVJHWCQHIR-LHLIQPBNSA-N 0 0 208.211 2.657 10 30 BFEERN Cc1ccnc(N[C@H](C)C(C)C)c1C#N ZINC000124881901 388760347 /nfs/dbraw/zinc/76/03/47/388760347.db2.gz NGUTVJLLSSMZAZ-SNVBAGLBSA-N 0 0 203.289 2.718 10 30 BFEERN C[C@@H]1CCC[C@@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575497493 388985018 /nfs/dbraw/zinc/98/50/18/388985018.db2.gz VSCIMNRIDPQYEI-ZWNOBZJWSA-N 0 0 238.331 2.984 10 30 BFEERN C=C[C@@H](O)c1cc(Cl)c(N)c(Cl)c1 ZINC000575513625 389024403 /nfs/dbraw/zinc/02/44/03/389024403.db2.gz HCLMXHUOJKCDFH-MRVPVSSYSA-N 0 0 218.083 2.795 10 30 BFEERN C=C(C)CN(C)C(=O)N[C@@H](C)c1ccc(C)o1 ZINC000180623533 533491782 /nfs/dbraw/zinc/49/17/82/533491782.db2.gz YQROZVQCADOZLW-NSHDSACASA-N 0 0 236.315 2.867 10 30 BFEERN Cc1ccc2c(c1)CCC1=C(C)C(=O)CCN21 ZINC000000006957 132312312 /nfs/dbraw/zinc/31/23/12/132312312.db2.gz SNEPAAKJPPNOQM-UHFFFAOYSA-N 0 0 227.307 2.994 10 30 investigational BFEERN O=C1C=C2CCc3cc(Cl)ccc3N2CC1 ZINC000000022617 132312432 /nfs/dbraw/zinc/31/24/32/132312432.db2.gz BRTGJFMJRRWDTL-UHFFFAOYSA-N 0 0 233.698 2.949 10 30 BFEERN Cc1ccc2c(c1)CC[C@@H]1CC(=O)C=CN21 ZINC000011689195 132320193 /nfs/dbraw/zinc/32/01/93/132320193.db2.gz AJJNTDGBWHZORI-GFCCVEGCSA-N 0 0 213.280 2.603 10 30 BFEERN CC[C@H]1CCCCN1c1ccc(C#N)cc1N ZINC000035674674 132339169 /nfs/dbraw/zinc/33/91/69/132339169.db2.gz SOQYOPYPDNMEPS-LBPRGKRZSA-N 0 0 229.327 2.909 10 30 BFEERN C[C@@H](C#N)CN1c2ccccc2CC[C@@H]1C ZINC000036668770 132342324 /nfs/dbraw/zinc/34/23/24/132342324.db2.gz QSPILPRPWAJHFS-RYUDHWBXSA-N 0 0 214.312 2.987 10 30 BFEERN CCCO[C@H]1CCCN(c2ccccc2C#N)C1 ZINC000042425013 132351665 /nfs/dbraw/zinc/35/16/65/132351665.db2.gz UJGVLIIAZHAWHR-AWEZNQCLSA-N 0 0 244.338 2.954 10 30 BFEERN O=CC1CCN(c2nccc3sccc32)CC1 ZINC000054268511 132363869 /nfs/dbraw/zinc/36/38/69/132363869.db2.gz OPOFWXFOWIOPPO-UHFFFAOYSA-N 0 0 246.335 2.712 10 30 BFEERN CC(C)Cc1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333794304 134135337 /nfs/dbraw/zinc/13/53/37/134135337.db2.gz DZUXTEWWEOTRIV-CQSZACIVSA-N 0 0 245.326 2.994 10 30 BFEERN C=CCCC(=O)N1CCC[C@H]1c1ccco1 ZINC000116045755 134216557 /nfs/dbraw/zinc/21/65/57/134216557.db2.gz WZWRLJLKZKAVOT-NSHDSACASA-N 0 0 219.284 2.909 10 30 BFEERN C[C@H](CC#N)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000172881668 134270430 /nfs/dbraw/zinc/27/04/30/134270430.db2.gz DQOSNDRBADQIAO-RAIGVLPGSA-N 0 0 234.343 2.621 10 30 BFEERN C=C(C)CN(C)C(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000180434274 134327373 /nfs/dbraw/zinc/32/73/73/134327373.db2.gz LTPHNMDTJKWFKT-RISCZKNCSA-N 0 0 245.322 2.586 10 30 BFEERN CC#CCNC(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000180562969 134329674 /nfs/dbraw/zinc/32/96/74/134329674.db2.gz PLGKAOKWEFAPLG-RYUDHWBXSA-N 0 0 221.344 2.588 10 30 BFEERN CC#CCNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000180562955 134329858 /nfs/dbraw/zinc/32/98/58/134329858.db2.gz PLGKAOKWEFAPLG-NWDGAFQWSA-N 0 0 221.344 2.588 10 30 BFEERN Cc1csc(C2CCN([C@H](C)C#N)CC2)n1 ZINC000181652505 134338434 /nfs/dbraw/zinc/33/84/34/134338434.db2.gz TYAKLJGBCILIST-SNVBAGLBSA-N 0 0 235.356 2.543 10 30 BFEERN C[C@@H](C#N)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000181888249 134339984 /nfs/dbraw/zinc/33/99/84/134339984.db2.gz DYLVJZNIRKKZLB-NSHDSACASA-N 0 0 248.301 2.581 10 30 BFEERN CCCCc1noc(-c2ccc(C#N)cc2)n1 ZINC000225262144 134351785 /nfs/dbraw/zinc/35/17/85/134351785.db2.gz WGNCVDKYIVOKDF-UHFFFAOYSA-N 0 0 227.267 2.951 10 30 BFEERN Cc1cnc([C@@H](C)NCc2ccc(C#N)s2)o1 ZINC000227556016 134383337 /nfs/dbraw/zinc/38/33/37/134383337.db2.gz GCJIDNCPCSBRHV-SECBINFHSA-N 0 0 247.323 2.767 10 30 BFEERN N#C[C@@H]1CCC[C@H]1Nc1ncnc2ccsc21 ZINC000408103376 134392267 /nfs/dbraw/zinc/39/22/67/134392267.db2.gz AIZXYDSNZYMZNM-DTWKUNHWSA-N 0 0 244.323 2.795 10 30 BFEERN CC#CCCN1C[C@H](c2ccccc2)OC[C@H]1C ZINC000248396917 135004713 /nfs/dbraw/zinc/00/47/13/135004713.db2.gz QWAYGSFLLXIQLR-GDBMZVCRSA-N 0 0 243.350 2.862 10 30 BFEERN CC[C@H](C#N)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248572509 135006358 /nfs/dbraw/zinc/00/63/58/135006358.db2.gz OOYDGPNGHGWFMP-IJLUTSLNSA-N 0 0 236.359 2.867 10 30 BFEERN C[C@@H](C#N)N1CCC[C@]2(CC=CCC2)C1 ZINC000248447873 135010444 /nfs/dbraw/zinc/01/04/44/135010444.db2.gz HOOKUPLTYMQLSM-QWHCGFSZSA-N 0 0 204.317 2.721 10 30 BFEERN CCC(=O)Nc1scc(Cl)c1C#N ZINC000270955496 135174036 /nfs/dbraw/zinc/17/40/36/135174036.db2.gz FSQFBPSDTCBWFR-UHFFFAOYSA-N 0 0 214.677 2.622 10 30 BFEERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1F ZINC000061889148 135563572 /nfs/dbraw/zinc/56/35/72/135563572.db2.gz IIMXRPPJGHOZBM-YPMHNXCESA-N 0 0 246.285 2.556 10 30 BFEERN N#Cc1ccnc(NCCC2CCCCC2)n1 ZINC000231897536 135639956 /nfs/dbraw/zinc/63/99/56/135639956.db2.gz JVDRUAQYGNNMIA-UHFFFAOYSA-N 0 0 230.315 2.731 10 30 BFEERN N#CCc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)cc1 ZINC000335335400 136055638 /nfs/dbraw/zinc/05/56/38/136055638.db2.gz XLXQEIFJSZOLLJ-CABCVRRESA-N 0 0 226.323 2.737 10 30 BFEERN C=CC1(C(=O)OCc2ccccc2)CC1 ZINC000198972049 397933227 /nfs/dbraw/zinc/93/32/27/397933227.db2.gz OOWQSKINRGAQIE-UHFFFAOYSA-N 0 0 202.253 2.696 10 30 BFEERN CCOc1cc(O)cc(CC#N)c1C(F)F ZINC000575665878 398044484 /nfs/dbraw/zinc/04/44/84/398044484.db2.gz ICXCRDHMIIFNRZ-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN C=CCOc1c(Br)cccc1C=O ZINC000042412015 398014897 /nfs/dbraw/zinc/01/48/97/398014897.db2.gz NCXUZGJWKOHRDP-UHFFFAOYSA-N 0 0 241.084 2.826 10 30 BFEERN C=CCOc1ccc(O)c(OCC=C)c1 ZINC000584623321 398078989 /nfs/dbraw/zinc/07/89/89/398078989.db2.gz ZQSRYUYZHWUIMM-UHFFFAOYSA-N 0 0 206.241 2.522 10 30 BFEERN C=CCOc1cc(C)c(NC=O)c(C)c1C ZINC000219466915 398091658 /nfs/dbraw/zinc/09/16/58/398091658.db2.gz RNGQZDMPWTVDFW-UHFFFAOYSA-N 0 0 219.284 2.745 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1cc(F)ccc1F ZINC000061891818 398107499 /nfs/dbraw/zinc/10/74/99/398107499.db2.gz IPOQBNKMGTUHBH-NOZJJQNGSA-N 0 0 236.265 2.747 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1cccc(F)c1 ZINC000061889431 398108171 /nfs/dbraw/zinc/10/81/71/398108171.db2.gz LYFUGFFTHPHSOP-BXKDBHETSA-N 0 0 247.273 2.639 10 30 BFEERN CC(C)CCC[C@H](C)CCOS(C)(=O)=O ZINC000222916450 398125738 /nfs/dbraw/zinc/12/57/38/398125738.db2.gz SOXDUDWOJKDOQC-NSHDSACASA-N 0 0 236.377 2.815 10 30 BFEERN CC(C)N[C@H](C#N)c1cc(F)ccc1F ZINC000037233663 167136550 /nfs/dbraw/zinc/13/65/50/167136550.db2.gz MKGSORZRKJOJSG-LLVKDONJSA-N 0 0 210.227 2.527 10 30 BFEERN C#CCN(C)[C@H](C)[C@H](F)c1ccccc1 ZINC000073000934 166159667 /nfs/dbraw/zinc/15/96/67/166159667.db2.gz LUGLODFDTPSDMS-YPMHNXCESA-N 0 0 205.276 2.651 10 30 BFEERN C#C[C@@H](C)NCc1[nH]c(CCCC)nc1Cl ZINC000166428216 166211944 /nfs/dbraw/zinc/21/19/44/166211944.db2.gz MJGGPLSRCUHFDE-SECBINFHSA-N 0 0 239.750 2.517 10 30 BFEERN C#C[C@@H](O)c1c(Cl)cccc1Cl ZINC000021998471 166214086 /nfs/dbraw/zinc/21/40/86/166214086.db2.gz UWIKRBFUPOCNGU-MRVPVSSYSA-N 0 0 201.052 2.660 10 30 BFEERN C#Cc1cccc(NCc2cccnc2C#N)c1 ZINC000061656767 166223976 /nfs/dbraw/zinc/22/39/76/166223976.db2.gz FNQCDLMYMUBDEL-UHFFFAOYSA-N 0 0 233.274 2.547 10 30 BFEERN C#Cc1cccc(NCc2ccc(O)cc2)c1 ZINC000019876788 166223983 /nfs/dbraw/zinc/22/39/83/166223983.db2.gz SMWNJSKKVILSRR-UHFFFAOYSA-N 0 0 223.275 2.986 10 30 BFEERN C=CCN(C(=O)c1ccc2c(c1)CCN2)C(C)C ZINC000037817766 166312360 /nfs/dbraw/zinc/31/23/60/166312360.db2.gz OEPMFRUDSGBVOK-UHFFFAOYSA-N 0 0 244.338 2.691 10 30 BFEERN C=CCNC(=O)[C@H](C)Nc1cccc(C(C)C)c1 ZINC000020358534 166388855 /nfs/dbraw/zinc/38/88/55/166388855.db2.gz XZIHFRNCMOMKQC-LBPRGKRZSA-N 0 0 246.354 2.913 10 30 BFEERN C=CCNC(=O)c1ccc(N[C@@H](C)CC)cc1 ZINC000037783576 166393680 /nfs/dbraw/zinc/39/36/80/166393680.db2.gz LVKBRSLXLWRBNO-NSHDSACASA-N 0 0 232.327 2.813 10 30 BFEERN C=CCOc1cc(OCCC)ccc1C=O ZINC000035099444 166424044 /nfs/dbraw/zinc/42/40/44/166424044.db2.gz CKEITVUGPJZSPM-UHFFFAOYSA-N 0 0 220.268 2.853 10 30 BFEERN CC(C)CCCOCc1ccc(C#CCO)cc1 ZINC000049621538 166818122 /nfs/dbraw/zinc/81/81/22/166818122.db2.gz PTCPOHLZMHSGMI-UHFFFAOYSA-N 0 0 246.350 2.983 10 30 BFEERN CC(C)COC(=O)N(C)c1cccc(C#N)c1 ZINC000059186683 167020508 /nfs/dbraw/zinc/02/05/08/167020508.db2.gz LDNQALNENANRSY-UHFFFAOYSA-N 0 0 232.283 2.787 10 30 BFEERN CC(C)N[C@H](C#N)c1c(F)cccc1F ZINC000036924719 167136319 /nfs/dbraw/zinc/13/63/19/167136319.db2.gz VKCDFCXPAYQZHU-SNVBAGLBSA-N 0 0 210.227 2.527 10 30 BFEERN CC(C)N[C@](C)(C#N)CCc1ccc(O)cc1 ZINC000036924658 167141762 /nfs/dbraw/zinc/14/17/62/167141762.db2.gz RKLQOMWUZPJVFY-AWEZNQCLSA-N 0 0 232.327 2.605 10 30 BFEERN CC(C)Oc1c(C#N)cccc1OC1CC1 ZINC000095724332 167283779 /nfs/dbraw/zinc/28/37/79/167283779.db2.gz MVPSMUMBZQWHAU-UHFFFAOYSA-N 0 0 217.268 2.887 10 30 BFEERN CC(C)Oc1cccc([C@@H](C#N)NC2CC2)c1 ZINC000020176774 167308884 /nfs/dbraw/zinc/30/88/84/167308884.db2.gz SDWFXXMTKYGBEG-CQSZACIVSA-N 0 0 230.311 2.790 10 30 BFEERN CC(C)[C@@H](C)N(C)c1ccc(C#N)cc1N ZINC000036787097 167370228 /nfs/dbraw/zinc/37/02/28/167370228.db2.gz GPTYOLLTUJUJMH-SNVBAGLBSA-N 0 0 217.316 2.621 10 30 BFEERN CC(C)c1cccc2c(N)c(C#N)cnc21 ZINC000050842699 167636392 /nfs/dbraw/zinc/63/63/92/167636392.db2.gz PFBJMDTUUZIVJA-UHFFFAOYSA-N 0 0 211.268 2.812 10 30 BFEERN CC/C=N/NC(=S)Nc1ccc(C)cc1 ZINC000005633798 167861775 /nfs/dbraw/zinc/86/17/75/167861775.db2.gz GXMRYVRPEUQGAJ-XYOKQWHBSA-N 0 0 221.329 2.677 10 30 BFEERN CC1(Nc2ccc(C#N)cc2N)CCCC1 ZINC000042176493 168064399 /nfs/dbraw/zinc/06/43/99/168064399.db2.gz UJTDEVXKOSSCCR-UHFFFAOYSA-N 0 0 215.300 2.885 10 30 BFEERN CC1=C(C)C(=O)c2c(N)c(Cl)ccc2C1=O ZINC000082301723 168080498 /nfs/dbraw/zinc/08/04/98/168080498.db2.gz LAZODZUPOZKUNB-UHFFFAOYSA-N 0 0 235.670 2.638 10 30 BFEERN CCC(=O)O[C@H](C#N)c1ccc(C)cc1 ZINC000106881105 168250355 /nfs/dbraw/zinc/25/03/55/168250355.db2.gz YUBUIQYNLFIQBX-LLVKDONJSA-N 0 0 203.241 2.513 10 30 BFEERN CCC(=O)c1ccccc1OCCCC#N ZINC000019431019 168259166 /nfs/dbraw/zinc/25/91/66/168259166.db2.gz NSCYGKYLLCBCOE-UHFFFAOYSA-N 0 0 217.268 2.962 10 30 BFEERN CCC(C)(C)Nc1ccc(N)cc1C#N ZINC000041020445 168302547 /nfs/dbraw/zinc/30/25/47/168302547.db2.gz OWJIWYCFNPLTFW-UHFFFAOYSA-N 0 0 203.289 2.741 10 30 BFEERN CCN(C[C@H](C)C#N)c1ccc(C=O)cc1F ZINC000042447355 169889173 /nfs/dbraw/zinc/88/91/73/169889173.db2.gz NYHYLRDNKNOJGN-SNVBAGLBSA-N 0 0 234.274 2.624 10 30 BFEERN CCNC1=CC(=O)C[C@H](c2ccccc2)C1 ZINC000058836375 170108081 /nfs/dbraw/zinc/10/80/81/170108081.db2.gz ZRAMBKGDRSZAMU-GFCCVEGCSA-N 0 0 215.296 2.627 10 30 BFEERN CCNC1=CC(=O)C[C@@H](c2ccccc2)C1 ZINC000058836381 170108199 /nfs/dbraw/zinc/10/81/99/170108199.db2.gz ZRAMBKGDRSZAMU-LBPRGKRZSA-N 0 0 215.296 2.627 10 30 BFEERN CCN[C@@](C)(C#N)c1ccccc1Cl ZINC000026513817 170155353 /nfs/dbraw/zinc/15/53/53/170155353.db2.gz SKLZPENQQQGWBS-NSHDSACASA-N 0 0 208.692 2.688 10 30 BFEERN CCN[C@](C)(C#N)c1ccccc1Cl ZINC000026513819 170170588 /nfs/dbraw/zinc/17/05/88/170170588.db2.gz SKLZPENQQQGWBS-LLVKDONJSA-N 0 0 208.692 2.688 10 30 BFEERN CCOC(=O)CC[C@@H](C)Nc1ccc(C#N)cc1 ZINC000132530577 170210655 /nfs/dbraw/zinc/21/06/55/170210655.db2.gz RPLRTGHXDZHDGN-LLVKDONJSA-N 0 0 246.310 2.702 10 30 BFEERN CCOC(=O)CC[C@H](C)Nc1ccc(C#N)cc1 ZINC000132530781 170211528 /nfs/dbraw/zinc/21/15/28/170211528.db2.gz RPLRTGHXDZHDGN-NSHDSACASA-N 0 0 246.310 2.702 10 30 BFEERN CCOC(=O)Cc1ccc(C#N)c2ccccc12 ZINC000098178832 170235371 /nfs/dbraw/zinc/23/53/71/170235371.db2.gz QRMSCOXLKYXRBW-UHFFFAOYSA-N 0 0 239.274 2.817 10 30 BFEERN CCOC(=O)[C@@](C)(C#N)Cc1ccc(CC)cc1 ZINC000057535086 170260493 /nfs/dbraw/zinc/26/04/93/170260493.db2.gz PTXROVNYWAXMIM-OAHLLOKOSA-N 0 0 245.322 2.884 10 30 BFEERN CCOC(=O)[C@](C)(C#N)Cc1ccccc1C ZINC000057519387 170282976 /nfs/dbraw/zinc/28/29/76/170282976.db2.gz WVISBSRVIBVYBP-AWEZNQCLSA-N 0 0 231.295 2.631 10 30 BFEERN CCOCCC(=O)[C@H](C#N)c1ccc(C)c(C)c1 ZINC000061682019 170364130 /nfs/dbraw/zinc/36/41/30/170364130.db2.gz KWHDAXIVPXJTMJ-CQSZACIVSA-N 0 0 245.322 2.906 10 30 BFEERN CC[C@@H]1CCCC[C@H]1Nc1nccnc1C#N ZINC000054377905 170971594 /nfs/dbraw/zinc/97/15/94/170971594.db2.gz BHJNAUXSYXQUGJ-GHMZBOCLSA-N 0 0 230.315 2.729 10 30 BFEERN CC[C@@H]1CSC(NCc2ccc(C#N)cc2)=[NH+]1 ZINC000051354689 171113975 /nfs/dbraw/zinc/11/39/75/171113975.db2.gz WJLPJHLYYHLHTO-GFCCVEGCSA-N 0 0 245.351 2.529 10 30 BFEERN CC[C@@H]1C[C@@H]1Nc1cc(C(C)=O)ccc1C#N ZINC000302085031 171123412 /nfs/dbraw/zinc/12/34/12/171123412.db2.gz DNAAAKUFKPZVJW-MFKMUULPSA-N 0 0 228.295 2.971 10 30 BFEERN CC[C@@](C#N)(C(=O)OC)C1=CCCCC1 ZINC000033608201 171162669 /nfs/dbraw/zinc/16/26/69/171162669.db2.gz KGBFLLOSBDSYPN-LBPRGKRZSA-N 0 0 207.273 2.580 10 30 BFEERN CC[C@H](C#N)OCCCc1ccccc1 ZINC000045627743 171219718 /nfs/dbraw/zinc/21/97/18/171219718.db2.gz KNBURKJFQUHUOX-CYBMUJFWSA-N 0 0 203.285 2.938 10 30 BFEERN CC[C@H](C)CNc1ccc(N)cc1C#N ZINC000054466617 171288385 /nfs/dbraw/zinc/28/83/85/171288385.db2.gz UNUIZHVXJOHNNX-VIFPVBQESA-N 0 0 203.289 2.598 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1cc(F)ccc1F ZINC000038064485 171345207 /nfs/dbraw/zinc/34/52/07/171345207.db2.gz UUPWDGAVXIZHNL-UFBFGSQYSA-N 0 0 224.254 2.918 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1ccc(F)cc1F ZINC000038064577 171345452 /nfs/dbraw/zinc/34/54/52/171345452.db2.gz XZICAEGFMUUCFE-UFBFGSQYSA-N 0 0 224.254 2.918 10 30 BFEERN CN(CCC#N)c1cccc(Cl)c1C#N ZINC000049933752 172666314 /nfs/dbraw/zinc/66/63/14/172666314.db2.gz KVNHUEMVTXRRDG-UHFFFAOYSA-N 0 0 219.675 2.562 10 30 BFEERN CN(CCC#N)c1ccc(N)c(C(F)(F)F)c1 ZINC000019833128 172666644 /nfs/dbraw/zinc/66/66/44/172666644.db2.gz HKMPQDLOTQFTQT-UHFFFAOYSA-N 0 0 243.232 2.637 10 30 BFEERN CN(CCC(C)(C)C)c1ccc(/C(N)=N/O)cc1 ZINC000061950551 172671919 /nfs/dbraw/zinc/67/19/19/172671919.db2.gz TZWNLYGFSLVQOH-UHFFFAOYSA-N 0 0 249.358 2.654 10 30 BFEERN CN(c1cccc(C#N)c1)c1cc(Cl)ncn1 ZINC000061984389 172949159 /nfs/dbraw/zinc/94/91/59/172949159.db2.gz QNIGXLNPAYRAAO-UHFFFAOYSA-N 0 0 244.685 2.770 10 30 BFEERN CN[C@@H](C#N)c1ccc(C(C)(C)C)cc1 ZINC000020175325 173410834 /nfs/dbraw/zinc/41/08/34/173410834.db2.gz PBZQSARDNPFWLW-LBPRGKRZSA-N 0 0 202.301 2.768 10 30 BFEERN CNc1c(C#N)cnc2c(F)ccc(C)c21 ZINC000050842278 173470578 /nfs/dbraw/zinc/47/05/78/173470578.db2.gz FDPFGSIYQPHPCE-UHFFFAOYSA-N 0 0 215.231 2.596 10 30 BFEERN COCCC(=O)[C@@H](C#N)c1ccccc1Cl ZINC000044268095 174139104 /nfs/dbraw/zinc/13/91/04/174139104.db2.gz PCOBNHURULGNJE-JTQLQIEISA-N 0 0 237.686 2.553 10 30 BFEERN COCCN(c1ccc(C#N)cc1)[C@@H](C)C1CC1 ZINC000042681521 174301944 /nfs/dbraw/zinc/30/19/44/174301944.db2.gz TZUCVQJNPYKSRB-LBPRGKRZSA-N 0 0 244.338 2.810 10 30 BFEERN COCCN(c1ccc(C#N)cc1)[C@H](C)C1CC1 ZINC000042681522 174302398 /nfs/dbraw/zinc/30/23/98/174302398.db2.gz TZUCVQJNPYKSRB-GFCCVEGCSA-N 0 0 244.338 2.810 10 30 BFEERN COCCN[C@H](C#N)c1ccc2ccccc2c1 ZINC000053256435 174338994 /nfs/dbraw/zinc/33/89/94/174338994.db2.gz ORCFGMLWZRIRLF-OAHLLOKOSA-N 0 0 240.306 2.640 10 30 BFEERN COc1cc(C2(C#N)CCOCC2)ccc1C ZINC000034940492 174975738 /nfs/dbraw/zinc/97/57/38/174975738.db2.gz VTDDOTGOGTTXCB-UHFFFAOYSA-N 0 0 231.295 2.575 10 30 BFEERN COc1cc2c(cc1OC)[C@](C)(C#N)OC(C)=C2 ZINC000005306322 175026922 /nfs/dbraw/zinc/02/69/22/175026922.db2.gz LCVQKJUBUNZYDA-AWEZNQCLSA-N 0 0 245.278 2.834 10 30 BFEERN COc1ccc(Br)cc1CCS ZINC000057956132 175051192 /nfs/dbraw/zinc/05/11/92/175051192.db2.gz JLMXJDYWKMOLFJ-UHFFFAOYSA-N 0 0 247.157 2.930 10 30 BFEERN COc1ccc(C)cc1NC[C@@H](C)C#N ZINC000032010316 175078286 /nfs/dbraw/zinc/07/82/86/175078286.db2.gz IWAFQUNGMBCMNW-JTQLQIEISA-N 0 0 204.273 2.575 10 30 BFEERN COc1ccc(C)cc1[C@H](C#N)C(=O)C(C)C ZINC000034975660 175081216 /nfs/dbraw/zinc/08/12/16/175081216.db2.gz MSIQBKNJQHWPKA-LBPRGKRZSA-N 0 0 231.295 2.836 10 30 BFEERN COc1ccc(C2=CC(=O)CCC2)cc1 ZINC000001625436 175084848 /nfs/dbraw/zinc/08/48/48/175084848.db2.gz LZLAMHMLEQQGAP-UHFFFAOYSA-N 0 0 202.253 2.832 10 30 BFEERN COc1ccc(CCS)c(Cl)c1 ZINC000071508527 175092524 /nfs/dbraw/zinc/09/25/24/175092524.db2.gz CZJPMZRLMYIHTB-UHFFFAOYSA-N 0 0 202.706 2.821 10 30 BFEERN COc1ccc(F)cc1C1=CC(=O)CC1 ZINC000077299361 175128995 /nfs/dbraw/zinc/12/89/95/175128995.db2.gz GRLWOEJMPOZUAR-UHFFFAOYSA-N 0 0 206.216 2.581 10 30 BFEERN COc1ccc(NC[C@H](C)C#N)c(C)c1 ZINC000061567589 175151693 /nfs/dbraw/zinc/15/16/93/175151693.db2.gz BWCIYCOGYFHWJH-SECBINFHSA-N 0 0 204.273 2.575 10 30 BFEERN COc1ccc(N[C@@H](C#N)C(C)C)cc1 ZINC000034559932 175153217 /nfs/dbraw/zinc/15/32/17/175153217.db2.gz HNDVYARNAYTDDV-LBPRGKRZSA-N 0 0 204.273 2.655 10 30 BFEERN COc1ccc(OC)c(C2=CC(=O)CCC2)c1 ZINC000077362732 175164550 /nfs/dbraw/zinc/16/45/50/175164550.db2.gz XWIYXDDCAAAXFF-UHFFFAOYSA-N 0 0 232.279 2.840 10 30 BFEERN COc1ccc2c(c1)[C@](C#N)(CC#N)CCC2 ZINC000082293392 175216840 /nfs/dbraw/zinc/21/68/40/175216840.db2.gz YTRYSYKUADOBJQ-AWEZNQCLSA-N 0 0 226.279 2.707 10 30 BFEERN COc1cccc(-n2nc(C)c(C#N)c2Cl)c1 ZINC000021949532 175239223 /nfs/dbraw/zinc/23/92/23/175239223.db2.gz NOCHUJHAAHEQLZ-UHFFFAOYSA-N 0 0 247.685 2.714 10 30 BFEERN COc1cccc(CN(CCC#N)C2CC2)c1 ZINC000042549197 175257682 /nfs/dbraw/zinc/25/76/82/175257682.db2.gz PSKQPQLQYQBQMN-UHFFFAOYSA-N 0 0 230.311 2.573 10 30 BFEERN COc1cccc(N[C@H](C#N)c2cccnc2)c1 ZINC000037937798 175279879 /nfs/dbraw/zinc/27/98/79/175279879.db2.gz MCQWOZBKKDIBSH-CQSZACIVSA-N 0 0 239.278 2.767 10 30 BFEERN COc1cccc(N[C@H](C#N)C(C)C)c1 ZINC000041049470 175280033 /nfs/dbraw/zinc/28/00/33/175280033.db2.gz BCXHFDFAQFPYJT-GFCCVEGCSA-N 0 0 204.273 2.655 10 30 BFEERN COc1cccc(Nc2ccc(C#N)cn2)c1 ZINC000019518754 175281042 /nfs/dbraw/zinc/28/10/42/175281042.db2.gz BLMHAYPZMBCOEX-UHFFFAOYSA-N 0 0 225.251 2.705 10 30 BFEERN COc1cccc(Oc2ccc(C#N)cn2)c1 ZINC000019438503 175284864 /nfs/dbraw/zinc/28/48/64/175284864.db2.gz FRWRIDSTTZAWIO-UHFFFAOYSA-N 0 0 226.235 2.754 10 30 BFEERN C[C@@H](C#N)Oc1cccc2c1OC(C)(C)C2 ZINC000047873959 175598335 /nfs/dbraw/zinc/59/83/35/175598335.db2.gz VYVIMVXAKDKMQO-VIFPVBQESA-N 0 0 217.268 2.691 10 30 BFEERN C[C@@H](CC#N)Sc1ccccc1[N+](=O)[O-] ZINC000048247868 175639345 /nfs/dbraw/zinc/63/93/45/175639345.db2.gz WZROTSXPRJPWHX-QMMMGPOBSA-N 0 0 222.269 2.989 10 30 BFEERN C[C@@H](c1cccs1)N(C)c1nccnc1C#N ZINC000054379353 176033995 /nfs/dbraw/zinc/03/39/95/176033995.db2.gz VFPSVQTZCQRGOZ-VIFPVBQESA-N 0 0 244.323 2.607 10 30 BFEERN C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1S ZINC000073654895 176253072 /nfs/dbraw/zinc/25/30/72/176253072.db2.gz JUGWHHKIXZGOAD-BDAKNGLRSA-N 0 0 231.361 2.562 10 30 BFEERN C[C@@H]1CSC(Nc2cccc3cccnc32)=N1 ZINC000035294428 176349444 /nfs/dbraw/zinc/34/94/44/176349444.db2.gz CVVAWICBWXHGAN-SECBINFHSA-N 0 0 243.335 2.947 10 30 BFEERN C[C@@H]1C[C@@H]1C(=O)NC1(C#N)CCCCCCC1 ZINC000040222088 176386434 /nfs/dbraw/zinc/38/64/34/176386434.db2.gz CHCDHPOKNUDAMG-NEPJUHHUSA-N 0 0 234.343 2.765 10 30 BFEERN C[C@@H]1C[C@@H]1Nc1c(F)cc(C#N)cc1F ZINC000075721272 176404904 /nfs/dbraw/zinc/40/49/04/176404904.db2.gz ZMKCLVJHWCQHIR-LDWIPMOCSA-N 0 0 208.211 2.657 10 30 BFEERN C[C@H](C#N)Oc1ccccc1Br ZINC000011834660 176555554 /nfs/dbraw/zinc/55/55/54/176555554.db2.gz ZQDNTPAFWZRNCK-SSDOTTSWSA-N 0 0 226.073 2.740 10 30 BFEERN C[C@H]1CC(C)(C)C[C@](C#N)(NC2CC2)C1 ZINC000036924795 177063896 /nfs/dbraw/zinc/06/38/96/177063896.db2.gz NVBKWTQVJXSEJL-GXFFZTMASA-N 0 0 206.333 2.847 10 30 BFEERN C[C@H]1CCCCN1C(=O)[C@H](C#N)c1ccccc1 ZINC000061613906 177073327 /nfs/dbraw/zinc/07/33/27/177073327.db2.gz WYAFKDNLQMZPGR-GXTWGEPZSA-N 0 0 242.322 2.695 10 30 BFEERN C[C@H]1CCCC[C@@H]1Oc1ccc(/C(N)=N/O)cc1 ZINC000019866158 177084083 /nfs/dbraw/zinc/08/40/83/177084083.db2.gz YOYCXYUFWMNWRN-GWCFXTLKSA-N 0 0 248.326 2.739 10 30 BFEERN C[C@H]1CCCC[C@@H]1Oc1ccccc1/C(N)=N/O ZINC000020076495 177084682 /nfs/dbraw/zinc/08/46/82/177084682.db2.gz HUQUQUFAGKRIPQ-JQWIXIFHSA-N 0 0 248.326 2.739 10 30 BFEERN C[C@H]1CCC[C@](C#N)(NC2CCCC2)C1 ZINC000037968410 177143338 /nfs/dbraw/zinc/14/33/38/177143338.db2.gz MTCYMHPRRPTCIL-AAEUAGOBSA-N 0 0 206.333 2.991 10 30 BFEERN C[C@@H]1C[C@@H](CNc2cccnc2C#N)C[C@H](C)O1 ZINC000290966603 177363019 /nfs/dbraw/zinc/36/30/19/177363019.db2.gz PHGLLQYMHKEYDC-ZSBIGDGJSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@@H]1C[C@@H](CNc2ccc(C#N)nc2)C[C@H](C)O1 ZINC000281713719 177363050 /nfs/dbraw/zinc/36/30/50/177363050.db2.gz BRRDJKXIKJEWTJ-ZSBIGDGJSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@@H]1C[C@@H](CNc2cccc(C#N)n2)C[C@H](C)O1 ZINC000281737289 177363827 /nfs/dbraw/zinc/36/38/27/177363827.db2.gz DDZHJEVFMXFAPU-ZSBIGDGJSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@H]1C[C@H]1CN(C)c1ccccc1C#N ZINC000104419301 177379588 /nfs/dbraw/zinc/37/95/88/177379588.db2.gz AVPGVZRXTLLETA-JQWIXIFHSA-N 0 0 200.285 2.650 10 30 BFEERN CC[C@H]1C[C@@H]1Nc1cc(C)nc(C)c1C#N ZINC000227593763 487481340 /nfs/dbraw/zinc/48/13/40/487481340.db2.gz NCANUCULUISVTF-JQWIXIFHSA-N 0 0 215.300 2.781 10 30 BFEERN C#Cc1nc(C)n(-c2ccc(F)cc2)c1C ZINC000141560651 490614395 /nfs/dbraw/zinc/61/43/95/490614395.db2.gz ZMLRBRCNYLESIK-UHFFFAOYSA-N 0 0 214.243 2.610 10 30 BFEERN Cc1ccoc1CSCCOCCS ZINC000757166470 582547365 /nfs/dbraw/zinc/54/73/65/582547365.db2.gz QMCGXVWDPMRULY-UHFFFAOYSA-N 0 0 232.370 2.768 10 30 BFEERN C/C(=N\O)c1ccc(Br)cc1F ZINC000238853834 518469302 /nfs/dbraw/zinc/46/93/02/518469302.db2.gz LGKZFSKXZSIBJG-UHFFFAOYSA-N 0 0 232.052 2.786 10 30 BFEERN CCCCCCC[C@H]([NH2+]CC1CC1)C(=O)[O-] ZINC000103309840 520068367 /nfs/dbraw/zinc/06/83/67/520068367.db2.gz VSLWJZRGXWNSNG-LBPRGKRZSA-N 0 0 227.348 2.800 10 30 BFEERN C=CCC(CC=C)C(=O)N1CCS[C@@H](C)C1 ZINC000130794628 534561473 /nfs/dbraw/zinc/56/14/73/534561473.db2.gz XCIDHAYKJQDTKY-NSHDSACASA-N 0 0 239.384 2.719 10 30 BFEERN N#C[C@@H](NCC(F)(F)F)c1cccc(F)c1 ZINC000037970851 526496895 /nfs/dbraw/zinc/49/68/95/526496895.db2.gz GMMOMPDXAJGPBW-SECBINFHSA-N 0 0 232.180 2.542 10 30 BFEERN C#C[C@H]1CCCC[C@@H]1NC(=O)OC(C)(C)C ZINC000306657540 527414039 /nfs/dbraw/zinc/41/40/39/527414039.db2.gz MXYAPLCIFKXWOM-QWRGUYRKSA-N 0 0 223.316 2.703 10 30 BFEERN CC[C@H](C)[C@@H]1CCCCN1c1nccc(C#N)n1 ZINC000295120061 535913324 /nfs/dbraw/zinc/91/33/24/535913324.db2.gz WQISDYDBIVVDEC-AAEUAGOBSA-N 0 0 244.342 2.753 10 30 BFEERN CN(C(=O)N[C@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000336033037 536053754 /nfs/dbraw/zinc/05/37/54/536053754.db2.gz ILASWFOQSMLZSL-AAEUAGOBSA-N 0 0 249.358 2.653 10 30 BFEERN CCCCCCCCCn1ncc(N)n1 ZINC000725250636 538028636 /nfs/dbraw/zinc/02/86/36/538028636.db2.gz NEBPZHGNZBRCPW-UHFFFAOYSA-N 0 0 210.325 2.611 10 30 BFEERN C=C[C@H](C)N1C(=S)N=NC1CCCC ZINC000757131747 582506221 /nfs/dbraw/zinc/50/62/21/582506221.db2.gz PEGROHDAKMDNHJ-QMMMGPOBSA-N 0 0 211.334 2.656 10 30 BFEERN Cn1ccnc1[C@H](S)c1cccs1 ZINC000757160215 582543489 /nfs/dbraw/zinc/54/34/89/582543489.db2.gz MICYEKQZMFUFTJ-MRVPVSSYSA-N 0 0 210.327 2.501 10 30 BFEERN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](S)C1 ZINC000757163961 582546043 /nfs/dbraw/zinc/54/60/43/582546043.db2.gz VVYMLJWEQZPDIJ-IUCAKERBSA-N 0 0 231.361 2.610 10 30 BFEERN CCc1ccc(CSCC[C@@H]2CO2)o1 ZINC000757171590 582551074 /nfs/dbraw/zinc/55/10/74/582551074.db2.gz UUXFSIGFAKDQCH-SNVBAGLBSA-N 0 0 212.314 2.864 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ocnc1C1CC1 ZINC000329660504 582869568 /nfs/dbraw/zinc/86/95/68/582869568.db2.gz IFLVQWIWNADMNQ-VHSXEESVSA-N 0 0 245.282 2.549 10 30 BFEERN C=C[C@H](C)N1C(=S)N=NC1c1cccc(O)c1 ZINC000757128982 586426485 /nfs/dbraw/zinc/42/64/85/586426485.db2.gz HKVAQZHMBCPTJE-QMMMGPOBSA-N 0 0 247.323 2.686 10 30 BFEERN CN[C@H](C#N)CCSCc1ccc(Cl)o1 ZINC000757161995 586432754 /nfs/dbraw/zinc/43/27/54/586432754.db2.gz ARPDVMQUJASXLS-QMMMGPOBSA-N 0 0 244.747 2.668 10 30 BFEERN C=CCCC(=O)Oc1ccc(C)cc1[N+](=O)[O-] ZINC000102221236 587818476 /nfs/dbraw/zinc/81/84/76/587818476.db2.gz ZSKNMGXBPNGTCO-UHFFFAOYSA-N 0 0 235.239 2.775 10 30 BFEERN CCCCCCCC[N@H+](C)[C@@H](C)C(=O)[O-] ZINC000107577631 588380995 /nfs/dbraw/zinc/38/09/95/588380995.db2.gz KOGGKPFKWYAPKW-NSHDSACASA-N 0 0 215.337 2.752 10 30 BFEERN Cc1cc(CN[C@@H]2CCC[C@@H]2C#N)c(C)o1 ZINC000132451278 591709786 /nfs/dbraw/zinc/70/97/86/591709786.db2.gz FOUQPNSOYALNOM-DGCLKSJQSA-N 0 0 218.300 2.678 10 30 BFEERN CC(=O)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000104422688 592613280 /nfs/dbraw/zinc/61/32/80/592613280.db2.gz JOXAENBYCXZBHC-UHFFFAOYSA-N 0 0 246.285 2.503 10 30 BFEERN C=C(Cl)COC(=O)[C@H]1CCC[C@@H]1C ZINC000308271538 631237371 /nfs/dbraw/zinc/23/73/71/631237371.db2.gz SCXDAXUNMXGYHK-CBAPKCEASA-N 0 0 202.681 2.718 10 30 BFEERN CCCCCCCc1nn(C)c(N)c1C ZINC000059100163 640783774 /nfs/dbraw/zinc/78/37/74/640783774.db2.gz ZDYNYBBCYJAABF-UHFFFAOYSA-N 0 0 209.337 2.824 10 30 BFEERN N#C[C@@H]1CCCN(C[C@@H]2Cc3ccccc32)C1 ZINC000227464319 640834419 /nfs/dbraw/zinc/83/44/19/640834419.db2.gz ITQTZQQGNMTHLH-JSGCOSHPSA-N 0 0 226.323 2.562 10 30 BFEERN C#CCN(C(=O)[C@@H]1CCC[C@@H]1C)C(C)(C)C ZINC000723030661 711496037 /nfs/dbraw/zinc/49/60/37/711496037.db2.gz HMEJVFOJLGZPDK-NWDGAFQWSA-N 0 0 221.344 2.683 10 30 BFEERN CC(C)(C)[C@@H]1CCc2c(C#N)c(N)ncc2C1 ZINC000675063247 640955923 /nfs/dbraw/zinc/95/59/23/640955923.db2.gz AGPKDXCBLNNCKS-SNVBAGLBSA-N 0 0 229.327 2.686 10 30 BFEERN C[C@H]1CC[C@H](C)c2c(C#N)c(N)ncc21 ZINC000675064332 640961455 /nfs/dbraw/zinc/96/14/55/640961455.db2.gz YCLVNJYUAVFTTE-YUMQZZPRSA-N 0 0 201.273 2.536 10 30 BFEERN CCc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)s1 ZINC000061888292 641005226 /nfs/dbraw/zinc/00/52/26/641005226.db2.gz SKKPMVQUOZSINX-KOLCDFICSA-N 0 0 248.351 2.733 10 30 BFEERN C=CCC(CC=C)C(=O)O[C@@H](C)[C@H]1CCOC1 ZINC000151689092 641458022 /nfs/dbraw/zinc/45/80/22/641458022.db2.gz DKWGNKIYOZGBFF-AAEUAGOBSA-N 0 0 238.327 2.723 10 30 BFEERN CC[C@@H](CC#N)OC(=O)Cc1cccc(F)c1 ZINC000187914107 641733023 /nfs/dbraw/zinc/73/30/23/641733023.db2.gz BWKXBOHWCRWDEA-LBPRGKRZSA-N 0 0 235.258 2.604 10 30 BFEERN N#Cc1cc2c(nc1N)CC[C@H](c1ccccc1)C2 ZINC000050871147 642349866 /nfs/dbraw/zinc/34/98/66/642349866.db2.gz ZUPKGVWPDIWXLG-LBPRGKRZSA-N 0 0 249.317 2.808 10 30 BFEERN CC(C)(C)[C@H]1CCc2nc(N)c(C#N)cc2C1 ZINC000050871200 642351269 /nfs/dbraw/zinc/35/12/69/642351269.db2.gz QMHYRRMEYBWHIC-NSHDSACASA-N 0 0 229.327 2.686 10 30 BFEERN C#CCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000069767487 642901603 /nfs/dbraw/zinc/90/16/03/642901603.db2.gz FEKXAYZKGJSVRC-SECBINFHSA-N 0 0 209.239 2.639 10 30 BFEERN COc1ccc2ccccc2c1CC=O ZINC000082954665 643392853 /nfs/dbraw/zinc/39/28/53/643392853.db2.gz XOAVYDZXOVOAJE-UHFFFAOYSA-N 0 0 200.237 2.590 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1C#N ZINC000089157309 644536488 /nfs/dbraw/zinc/53/64/88/644536488.db2.gz BBMSADVUENDKHR-VHSXEESVSA-N 0 0 224.304 2.593 10 30 BFEERN CCCCCCCC(=O)N1CC[C@@H](O)C[C@H]1C ZINC000705080260 712122720 /nfs/dbraw/zinc/12/27/20/712122720.db2.gz OAMBAWVXPCUIQC-CHWSQXEVSA-N 0 0 241.375 2.719 10 30 BFEERN Cc1cc(C#N)ccc1NCC[C@@H]1CCCO1 ZINC000038097449 712808050 /nfs/dbraw/zinc/80/80/50/712808050.db2.gz PQOWFLVLHYQSEC-ZDUSSCGKSA-N 0 0 230.311 2.848 10 30 BFEERN CC[C@H](CC#N)OC(=O)/C=C(/C)C1CC1 ZINC000588558200 959170491 /nfs/dbraw/zinc/17/04/91/959170491.db2.gz XYVPVQSGWGNFCS-TYBABMIJSA-N 0 0 207.273 2.578 10 30 BFEERN CC[N@H+](CCCCC(C)(C)C#N)[C@H](C)C(=O)[O-] ZINC000707919305 954981286 /nfs/dbraw/zinc/98/12/86/954981286.db2.gz SGYNPKKKHGJNKR-LLVKDONJSA-N 0 0 240.347 2.501 10 30 BFEERN CC(C)(CC#N)COC(=O)/C=C\c1ccco1 ZINC000588467247 958642416 /nfs/dbraw/zinc/64/24/16/958642416.db2.gz HPICTPZZTCHYTC-WAYWQWQTSA-N 0 0 233.267 2.776 10 30 BFEERN C=C[C@@](C)(CCOC)C(=O)OC/C=C\CC ZINC000588546229 959050097 /nfs/dbraw/zinc/05/00/97/959050097.db2.gz OQBODTRZOQLLGT-WSROAFLRSA-N 0 0 226.316 2.725 10 30 BFEERN Cc1ccc(C(=O)/C=C\c2cocn2)cc1 ZINC000588561501 959176400 /nfs/dbraw/zinc/17/64/00/959176400.db2.gz AXVMBZVGEFVMJQ-SREVYHEPSA-N 0 0 213.236 2.879 10 30 BFEERN C/C=C(/CC)C(=O)O[C@H](C)C(C)(C)C#N ZINC000588570009 959255837 /nfs/dbraw/zinc/25/58/37/959255837.db2.gz NHQGNOXJIGCTSJ-WPVMNKCKSA-N 0 0 209.289 2.824 10 30 BFEERN C#CC[C@H](OC(=O)/C(=C/C)CC)C(C)C ZINC000588570044 959260177 /nfs/dbraw/zinc/26/01/77/959260177.db2.gz ILRZPGRPTXUGMS-VNKGSWCUSA-N 0 0 208.301 2.934 10 30 BFEERN C#C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000702310395 968994652 /nfs/dbraw/zinc/99/46/52/968994652.db2.gz YSCXKWUBDJWRFJ-ZDUSSCGKSA-N 0 0 245.322 2.522 10 30 BFEERN C=CCC1([NH2+]CCC(C)(C)C(=O)[O-])CCCC1 ZINC000690758432 976330779 /nfs/dbraw/zinc/33/07/79/976330779.db2.gz GBFLEAVJDGSLPY-UHFFFAOYSA-N 0 0 239.359 2.966 10 30 BFEERN C[C@@H](CCC#N)[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC000695718785 976803332 /nfs/dbraw/zinc/80/33/32/976803332.db2.gz SVZCTBWQQXUTDM-NSHDSACASA-N 0 0 246.310 2.509 10 30 BFEERN CC(C)(C)OC(=O)C#C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000685953862 538898869 /nfs/dbraw/zinc/89/88/69/538898869.db2.gz QEWJNOURXYQLNW-SDDRHHMPSA-N 0 0 220.312 2.768 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)N[C@H](C)c1ccsc1 ZINC000061366985 167340940 /nfs/dbraw/zinc/34/09/40/167340940.db2.gz VLHKSNXAELYPFP-MWLCHTKSSA-N 0 0 236.340 2.721 10 30 BFEERN Cc1csc(C#CC(=O)OC(C)(C)C)c1 ZINC000685953279 538897468 /nfs/dbraw/zinc/89/74/68/538897468.db2.gz KHJWRLDOGKRSPX-UHFFFAOYSA-N 0 0 222.309 2.750 10 30 BFEERN O=CCCOc1ccc(C(F)(F)F)cc1 ZINC000062544538 349488187 /nfs/dbraw/zinc/48/81/87/349488187.db2.gz SOVUIUSBSLCWAJ-UHFFFAOYSA-N 0 0 218.174 2.673 10 30 BFEERN CCC(CC)(CO)N[C@H](CC#N)c1ccccc1 ZINC000055019268 168330435 /nfs/dbraw/zinc/33/04/35/168330435.db2.gz VXQBTOYOQIVFCZ-CQSZACIVSA-N 0 0 246.354 2.782 10 30 BFEERN O=C1C=CO[C@@H](c2occc2Br)C1 ZINC000232457091 398181206 /nfs/dbraw/zinc/18/12/06/398181206.db2.gz DHWAKXYSIFDERE-MRVPVSSYSA-N 0 0 243.056 2.586 10 30 BFEERN CCc1ccccc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000161905751 349515194 /nfs/dbraw/zinc/51/51/94/349515194.db2.gz JFQSQZVFSLYZNV-GXTWGEPZSA-N 0 0 242.322 2.671 10 30 BFEERN Cc1cc(N(C)c2ccccc2C#N)ncc1N ZINC000077383922 178102857 /nfs/dbraw/zinc/10/28/57/178102857.db2.gz HBUSMBLVNXOKGW-UHFFFAOYSA-N 0 0 238.294 2.612 10 30 BFEERN Cc1cc(NC(=O)OC(C)(C)C)c(C#N)cn1 ZINC000095751456 178144449 /nfs/dbraw/zinc/14/44/49/178144449.db2.gz JGWNQKSOSAIJJX-UHFFFAOYSA-N 0 0 233.271 2.609 10 30 BFEERN CCC(CC)CN(CC)c1ncc(N)cc1C#N ZINC000037759169 168349900 /nfs/dbraw/zinc/34/99/00/168349900.db2.gz OFVKBQOCNLBQTC-UHFFFAOYSA-N 0 0 246.358 2.798 10 30 BFEERN CC(CCc1ccc(Cl)s1)=NN ZINC000307967011 398226779 /nfs/dbraw/zinc/22/67/79/398226779.db2.gz SBOXJWFQUGZXMA-UHFFFAOYSA-N 0 0 202.710 2.669 10 30 BFEERN Cc1cc(SCc2ccccc2C#N)n(C)n1 ZINC000052309737 178218087 /nfs/dbraw/zinc/21/80/87/178218087.db2.gz NZWCQSZVPSIDCX-UHFFFAOYSA-N 0 0 243.335 2.893 10 30 BFEERN Cc1cc(SC(F)(F)F)ncc1C#N ZINC000095918425 178218143 /nfs/dbraw/zinc/21/81/43/178218143.db2.gz QMXILGZKPLMDOI-UHFFFAOYSA-N 0 0 218.203 2.874 10 30 BFEERN Cc1cc(S[C@H]2CCO[C@@H]2C)c(C#N)c(C)n1 ZINC000229329772 178219404 /nfs/dbraw/zinc/21/94/04/178219404.db2.gz NVSQYZRRBFUERD-PWSUYJOCSA-N 0 0 248.351 2.840 10 30 BFEERN Cc1cc(S[C@@H]2CCO[C@@H]2C)c(C#N)c(C)n1 ZINC000229329761 178220237 /nfs/dbraw/zinc/22/02/37/178220237.db2.gz NVSQYZRRBFUERD-ZYHUDNBSSA-N 0 0 248.351 2.840 10 30 BFEERN C=CC(=O)C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000164968039 538934404 /nfs/dbraw/zinc/93/44/04/538934404.db2.gz GOHHAXADXDZDHP-SNVBAGLBSA-N 0 0 239.315 2.531 10 30 BFEERN Cc1cc([C@H](C#N)NCC2CC2)ccc1F ZINC000050558963 178244087 /nfs/dbraw/zinc/24/40/87/178244087.db2.gz PQKZLYSUFASBQV-ZDUSSCGKSA-N 0 0 218.275 2.698 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@]1(C)CC1CCC1 ZINC000229762752 538940978 /nfs/dbraw/zinc/94/09/78/538940978.db2.gz JQCQVUZUAQGTNM-OLZOCXBDSA-N 0 0 226.316 2.533 10 30 BFEERN CCC[C@]1(C(=O)OCC)O[C@@]1(C)CC1CC1 ZINC000229762771 538941491 /nfs/dbraw/zinc/94/14/91/538941491.db2.gz BRHKCLVKGVNOGO-QWHCGFSZSA-N 0 0 226.316 2.677 10 30 BFEERN CCC(CC)N(C)c1cc(C#N)ccn1 ZINC000036789338 168369462 /nfs/dbraw/zinc/36/94/62/168369462.db2.gz LADLEZBWHHGRGK-UHFFFAOYSA-N 0 0 203.289 2.578 10 30 BFEERN Cc1ccc(C#N)cc1N[C@@H]1CCSC1 ZINC000050429074 178367666 /nfs/dbraw/zinc/36/76/66/178367666.db2.gz RIMZLQYNFVYTHZ-LLVKDONJSA-N 0 0 218.325 2.784 10 30 BFEERN Cc1ccc(C#N)c(N[C@H](C)[C@H]2CCCO2)c1 ZINC000051578999 178365239 /nfs/dbraw/zinc/36/52/39/178365239.db2.gz IMNDEXFLUIJITR-BXUZGUMPSA-N 0 0 230.311 2.846 10 30 BFEERN Cc1ccc(C#N)c(Sc2ccccn2)n1 ZINC000043400738 178366565 /nfs/dbraw/zinc/36/65/65/178366565.db2.gz CUJGDUQFHMPCCE-UHFFFAOYSA-N 0 0 227.292 2.808 10 30 BFEERN Cc1ccc(C#N)cc1-n1cnc2cc(N)ccc21 ZINC000052853346 178366741 /nfs/dbraw/zinc/36/67/41/178366741.db2.gz YSGOWWFRQMJQBW-UHFFFAOYSA-N 0 0 248.289 2.788 10 30 BFEERN Cc1ccc(C#N)cc1NCc1cccnc1C#N ZINC000061658755 178367135 /nfs/dbraw/zinc/36/71/35/178367135.db2.gz GRSJPHVLXLJSBY-UHFFFAOYSA-N 0 0 248.289 2.745 10 30 BFEERN Cc1ccc(C(=O)N(CCC#N)C2CC2)cc1F ZINC000042359108 178382102 /nfs/dbraw/zinc/38/21/02/178382102.db2.gz DNYWEKRMJOJEIG-UHFFFAOYSA-N 0 0 246.285 2.652 10 30 BFEERN CCOC(=O)[C@@H]1O[C@@]12CCC[C@@H](C(C)C)C2 ZINC000231019570 538951595 /nfs/dbraw/zinc/95/15/95/538951595.db2.gz ZTLXDOPHPFVEAQ-NTZNESFSSA-N 0 0 226.316 2.533 10 30 BFEERN CCC(CC)N(CCOC)c1ccc(C#N)cn1 ZINC000042681507 168376509 /nfs/dbraw/zinc/37/65/09/168376509.db2.gz MYAPBVBQOIRHHP-UHFFFAOYSA-N 0 0 247.342 2.595 10 30 BFEERN CC(C)(C)OC(=O)NCC(=O)C1=CCCCC1 ZINC000405588389 538960253 /nfs/dbraw/zinc/96/02/53/538960253.db2.gz ICTGYCUFABFSHM-UHFFFAOYSA-N 0 0 239.315 2.581 10 30 BFEERN CCN(/C=C/C(=O)c1cc(C)ccc1O)CC ZINC000002574025 342724959 /nfs/dbraw/zinc/72/49/59/342724959.db2.gz RASDWGZFOKPSQA-CMDGGOBGSA-N 0 0 233.311 2.739 10 30 BFEERN O=C(O/N=C/c1ccco1)c1ccc(F)cc1 ZINC000003142518 342730753 /nfs/dbraw/zinc/73/07/53/342730753.db2.gz NUGIYODVHCQWOG-RIYZIHGNSA-N 0 0 233.198 2.610 10 30 BFEERN C=CCC[C@H](CO)COCc1ccccc1 ZINC000144786975 342750015 /nfs/dbraw/zinc/75/00/15/342750015.db2.gz IHYXXNLPJJPJPN-CQSZACIVSA-N 0 0 220.312 2.778 10 30 BFEERN C[C@]1(C(=O)/C=C/c2ccccc2Cl)CO1 ZINC000215539879 342766283 /nfs/dbraw/zinc/76/62/83/342766283.db2.gz IOCZCDJHRFETPC-NNNHXZLVSA-N 0 0 222.671 2.711 10 30 BFEERN C=CCN(CC=C)CC(=O)c1ccc(F)s1 ZINC000150071294 342796178 /nfs/dbraw/zinc/79/61/78/342796178.db2.gz GTJKWRZROJXPPO-UHFFFAOYSA-N 0 0 239.315 2.744 10 30 BFEERN C=CCN(CC=C)CC(=O)c1ccc(F)cc1 ZINC000150109100 342797151 /nfs/dbraw/zinc/79/71/51/342797151.db2.gz JJKGZYWAXSFESF-UHFFFAOYSA-N 0 0 233.286 2.682 10 30 BFEERN C=C[C@@H](NN)c1cc2ccccc2s1 ZINC000097752892 342837549 /nfs/dbraw/zinc/83/75/49/342837549.db2.gz TXJAVBADURNVGZ-SECBINFHSA-N 0 0 204.298 2.592 10 30 BFEERN C[C@H](C#N)C(=O)C1CCC(F)(F)CC1 ZINC000127077577 342836078 /nfs/dbraw/zinc/83/60/78/342836078.db2.gz HRHKCHZJFOMXOQ-SSDOTTSWSA-N 0 0 201.216 2.541 10 30 BFEERN C#CC(C)(C)Nc1nc(Cl)cs1 ZINC000165042360 342871705 /nfs/dbraw/zinc/87/17/05/342871705.db2.gz VFWUTVQZBZJCIK-UHFFFAOYSA-N 0 0 200.694 2.620 10 30 BFEERN CSCCC(=O)c1ccc(F)c(C#N)c1 ZINC000308826634 342872744 /nfs/dbraw/zinc/87/27/44/342872744.db2.gz RPJBWSNAOVMSDD-UHFFFAOYSA-N 0 0 223.272 2.633 10 30 BFEERN CCN[C@H](C#N)c1ccc(C)c(Cl)c1 ZINC000233578848 342873558 /nfs/dbraw/zinc/87/35/58/342873558.db2.gz QQJSCEPIVGANRC-LLVKDONJSA-N 0 0 208.692 2.823 10 30 BFEERN CCN[C@H](C#N)c1ccc(F)cc1Cl ZINC000233578975 342873722 /nfs/dbraw/zinc/87/37/22/342873722.db2.gz JXMNRQFCJOLHCN-SNVBAGLBSA-N 0 0 212.655 2.653 10 30 BFEERN C=C(C)C(=O)c1ccccc1C(=O)OCC ZINC000309193572 342907562 /nfs/dbraw/zinc/90/75/62/342907562.db2.gz QTXLNYVHXMGSMC-UHFFFAOYSA-N 0 0 218.252 2.622 10 30 BFEERN N#Cc1ccc(N)c(-c2ccc(F)cc2)c1 ZINC000047206454 342901440 /nfs/dbraw/zinc/90/14/40/342901440.db2.gz CKMQPRMIDLPRDP-UHFFFAOYSA-N 0 0 212.227 2.947 10 30 BFEERN N#CCc1cccc([N+](=O)[O-])c1C(F)(F)F ZINC000309260170 342923028 /nfs/dbraw/zinc/92/30/28/342923028.db2.gz VARMKKHPEKCKGP-UHFFFAOYSA-N 0 0 230.145 2.680 10 30 BFEERN N#Cc1cnc(OC(F)(F)F)cc1C(F)F ZINC000309234537 342920302 /nfs/dbraw/zinc/92/03/02/342920302.db2.gz ANWPPCQNKPZFRN-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN O=C(/C=C\c1ccccc1)[C@]12CCC[C@H]1O2 ZINC000309246792 342920510 /nfs/dbraw/zinc/92/05/10/342920510.db2.gz NZXHLNNSFKUNFN-GIBSZGAASA-N 0 0 214.264 2.590 10 30 BFEERN C[C@@]1(O)CC(=O)C=C(c2ccccc2Cl)C1 ZINC000040174886 342959493 /nfs/dbraw/zinc/95/94/93/342959493.db2.gz KGLYZVMETYMBTH-ZDUSSCGKSA-N 0 0 236.698 2.837 10 30 BFEERN C(#Cc1ccc2ccnn2c1)c1ccccc1 ZINC000117725646 343013573 /nfs/dbraw/zinc/01/35/73/343013573.db2.gz SGUJUUAVHFIDGR-UHFFFAOYSA-N 0 0 218.259 2.734 10 30 BFEERN N#Cc1nc(Nc2cc(F)cc(F)c2)ccc1N ZINC000144937594 343056340 /nfs/dbraw/zinc/05/63/40/343056340.db2.gz PAUUZIXIERHUHC-UHFFFAOYSA-N 0 0 246.220 2.557 10 30 BFEERN CCCn1cc(C#N)c(=O)c2cc(C)ccc21 ZINC000072237006 343088047 /nfs/dbraw/zinc/08/80/47/343088047.db2.gz LPWKERCNDQEKGX-UHFFFAOYSA-N 0 0 226.279 2.592 10 30 BFEERN CC[C@H](Nc1ccc(C#N)cn1)C(C)C ZINC000042591110 362012331 /nfs/dbraw/zinc/01/23/31/362012331.db2.gz XHGKGAYCIMBYOI-NSHDSACASA-N 0 0 203.289 2.800 10 30 BFEERN C[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000383211537 362012928 /nfs/dbraw/zinc/01/29/28/362012928.db2.gz PZTCZTFXCGHFFR-MROQNXINSA-N 0 0 234.343 2.621 10 30 BFEERN C=CCCCCC(=O)C(OCC)OCC ZINC000043504041 343100053 /nfs/dbraw/zinc/10/00/53/343100053.db2.gz SAFCYJQTWDQHRF-UHFFFAOYSA-N 0 0 214.305 2.701 10 30 BFEERN C[C@@H](Sc1ccccc1Cl)/C(N)=N/O ZINC000043517081 343117812 /nfs/dbraw/zinc/11/78/12/343117812.db2.gz NDKDDOCDJUKMJL-ZCFIWIBFSA-N 0 0 230.720 2.567 10 30 BFEERN COc1ccc(C#C[Si](C)(C)C)c([N+](=O)[O-])c1 ZINC000200051571 343118494 /nfs/dbraw/zinc/11/84/94/343118494.db2.gz BSZQTMRGWAEQDG-UHFFFAOYSA-N 0 0 249.342 2.832 10 30 BFEERN Cc1ccc(C)c([C@@H](C#N)NC[C@@H]2CCCO2)c1 ZINC000049670650 178494860 /nfs/dbraw/zinc/49/48/60/178494860.db2.gz BZAVOCHMTJYQSG-DZGCQCFKSA-N 0 0 244.338 2.637 10 30 BFEERN C[C@@H](C(=O)N(C)O)c1ccc2ccccc2c1 ZINC000027556718 343120914 /nfs/dbraw/zinc/12/09/14/343120914.db2.gz HMSPAZCQILPMIK-SNVBAGLBSA-N 0 0 229.279 2.791 10 30 in-vivo BFEERN c1ccc(CO[C@@H]2CC[C@H]3O[C@H]3C2)cc1 ZINC000145057429 343145982 /nfs/dbraw/zinc/14/59/82/343145982.db2.gz ZKCGXZHSOARULJ-UPJWGTAASA-N 0 0 204.269 2.523 10 30 BFEERN CC(C)(C)c1cccc(OC[C@H]2CO2)c1 ZINC000036969963 343143693 /nfs/dbraw/zinc/14/36/93/343143693.db2.gz BIDCSWWLNMDWEZ-LBPRGKRZSA-N 0 0 206.285 2.762 10 30 BFEERN CCN(Cc1cccs1)[C@H](C)CC#N ZINC000042487729 136272731 /nfs/dbraw/zinc/27/27/31/136272731.db2.gz ZQXICCJXOALFOX-SNVBAGLBSA-N 0 0 208.330 2.872 10 30 BFEERN N#CCc1c(Cl)nccc1OC(F)(F)F ZINC000238538348 343256814 /nfs/dbraw/zinc/25/68/14/343256814.db2.gz KBRHUINRDIVVEX-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN CC[C@H](NCCC#N)c1cccc([N+](=O)[O-])c1 ZINC000036721145 343322851 /nfs/dbraw/zinc/32/28/51/343322851.db2.gz UOIAPUCBSYHDQQ-LBPRGKRZSA-N 0 0 233.271 2.549 10 30 BFEERN C=C(C)c1ccc(CC(=O)OCC)cc1OC ZINC000166061726 343304018 /nfs/dbraw/zinc/30/40/18/343304018.db2.gz YRKYIPUGGGQJGD-UHFFFAOYSA-N 0 0 234.295 2.834 10 30 BFEERN N#Cc1ncc(C(F)F)cc1OC(F)(F)F ZINC000309383305 343352331 /nfs/dbraw/zinc/35/23/31/343352331.db2.gz ZNSRQMXTURJNNE-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN CCC1=CC(=O)C[C@@H](c2ccccc2)N1 ZINC000039100708 343384143 /nfs/dbraw/zinc/38/41/43/343384143.db2.gz NVOMKRPDROLOAM-ZDUSSCGKSA-N 0 0 201.269 2.584 10 30 BFEERN C[C@@H](CCC1CC1)NC(=O)Cc1cncnc1 ZINC000329562203 136366153 /nfs/dbraw/zinc/36/61/53/136366153.db2.gz JLXZRRCXJPWAJS-JTQLQIEISA-N 0 0 233.315 2.554 10 30 BFEERN O=C(Cc1cncnc1)N[C@@H]1CC12CCCCC2 ZINC000329571869 136366227 /nfs/dbraw/zinc/36/62/27/136366227.db2.gz MWGBTMFXBDMCNE-GFCCVEGCSA-N 0 0 245.326 2.698 10 30 BFEERN COCc1cccc(CN[C@H]2CCC[C@@H]2C#N)c1 ZINC000054825808 136372968 /nfs/dbraw/zinc/37/29/68/136372968.db2.gz QEMYGRSECFJOQR-CABCVRRESA-N 0 0 244.338 2.615 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(F)c(F)c1 ZINC000054827360 136373270 /nfs/dbraw/zinc/37/32/70/136373270.db2.gz NJFDRVPJIPEVPG-GXFFZTMASA-N 0 0 236.265 2.747 10 30 BFEERN CC(=O)N1CCCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616628397 343525861 /nfs/dbraw/zinc/52/58/61/343525861.db2.gz KOSOXQZZIYOSKB-OAHLLOKOSA-N 0 0 242.322 2.674 10 30 BFEERN CCN(C)/C=N\c1nc2ccccc2s1 ZINC000045236132 343526400 /nfs/dbraw/zinc/52/64/00/343526400.db2.gz BNMVZWKLQLVDPQ-WQLSENKSSA-N 0 0 219.313 2.908 10 30 BFEERN C=C[C@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000083813584 343502789 /nfs/dbraw/zinc/50/27/89/343502789.db2.gz NEWGUMJLCGZKSN-VIFPVBQESA-N 0 0 218.174 2.805 10 30 BFEERN C[C@@H](O)c1ccncc1-c1ccc(C#N)cc1 ZINC000166823489 343576747 /nfs/dbraw/zinc/57/67/47/343576747.db2.gz BKCWSGPLVZTYEZ-SNVBAGLBSA-N 0 0 224.263 2.674 10 30 BFEERN N#Cc1ccnc(OCc2cccc(F)c2)c1 ZINC000204248201 343561765 /nfs/dbraw/zinc/56/17/65/343561765.db2.gz SBWQMWQYDOVRII-UHFFFAOYSA-N 0 0 228.226 2.671 10 30 BFEERN N#CC1([C@H](O)c2ccccc2)CCCC1 ZINC000085884372 343607414 /nfs/dbraw/zinc/60/74/14/343607414.db2.gz RMRNYRBANMKDLW-GFCCVEGCSA-N 0 0 201.269 2.804 10 30 BFEERN CC(C)(C)[S@@](=O)/N=C/C1CCCC1 ZINC000205742781 343648925 /nfs/dbraw/zinc/64/89/25/343648925.db2.gz UCOGKZLKACTCDX-RUNBWSAHSA-N 0 0 201.335 2.710 10 30 BFEERN N#Cc1cccc(-c2nc3ccccc3[nH]2)c1N ZINC000205005201 343683724 /nfs/dbraw/zinc/68/37/24/343683724.db2.gz FRMJYGXGXFUAEI-UHFFFAOYSA-N 0 0 234.262 2.684 10 30 BFEERN CCc1ccc(C(=O)/C=C/N(C)C)s1 ZINC000082545862 537806432 /nfs/dbraw/zinc/80/64/32/537806432.db2.gz JTHCKEXDHMUTTM-BQYQJAHWSA-N 0 0 209.314 2.569 10 30 BFEERN Cc1ccc([C@H](O)[C@@H](C)C#N)cc1Cl ZINC000235104812 343745257 /nfs/dbraw/zinc/74/52/57/343745257.db2.gz YTXIOXSWLNZRKU-GZMMTYOYSA-N 0 0 209.676 2.842 10 30 BFEERN C=C[C@H](C)Nc1c(Cl)nsc1C#N ZINC000306214936 343759096 /nfs/dbraw/zinc/75/90/96/343759096.db2.gz YCKLEOPAJUNDDS-YFKPBYRVSA-N 0 0 213.693 2.655 10 30 BFEERN C=CCCC(=O)c1ccccc1OC(C)=O ZINC000309182640 346977300 /nfs/dbraw/zinc/97/73/00/346977300.db2.gz FUVFCOUFPYVNAC-UHFFFAOYSA-N 0 0 218.252 2.761 10 30 BFEERN C=C[C@@H](C)Nc1cc([N+](=O)[O-])cc(Cl)n1 ZINC000220045773 343828142 /nfs/dbraw/zinc/82/81/42/343828142.db2.gz FZHHMOJIIMPFNX-ZCFIWIBFSA-N 0 0 227.651 2.630 10 30 BFEERN C#CCn1nc(-c2ccccn2)cc1C(C)C ZINC000409439901 343853603 /nfs/dbraw/zinc/85/36/03/343853603.db2.gz KPALFFALHGWVNS-UHFFFAOYSA-N 0 0 225.295 2.702 10 30 BFEERN C=C=CC(=O)c1cc(Br)oc1C ZINC000306571253 343853915 /nfs/dbraw/zinc/85/39/15/343853915.db2.gz AHCRLKCIUVLCFA-UHFFFAOYSA-N 0 0 227.057 2.557 10 30 BFEERN C#CCn1nc(-c2ccsc2)cc1CC ZINC000409441081 343855068 /nfs/dbraw/zinc/85/50/68/343855068.db2.gz QCAMXDBLTMOXEA-UHFFFAOYSA-N 0 0 216.309 2.807 10 30 BFEERN N#CCc1cn(CCF)nc1-c1cccs1 ZINC000409436765 343837377 /nfs/dbraw/zinc/83/73/77/343837377.db2.gz AHUZBIMHYKTYGN-UHFFFAOYSA-N 0 0 235.287 2.647 10 30 BFEERN CC#CC[C@@H](O)c1ccc(Cl)cc1F ZINC000062785520 346988941 /nfs/dbraw/zinc/98/89/41/346988941.db2.gz PMHXLDHXMUFTMC-LLVKDONJSA-N 0 0 212.651 2.926 10 30 BFEERN CCn1cc(CC#N)c(-c2ccsc2)n1 ZINC000409438470 343844321 /nfs/dbraw/zinc/84/43/21/343844321.db2.gz LLIKSOTTWITDKY-UHFFFAOYSA-N 0 0 217.297 2.698 10 30 BFEERN CC(C)c1cc(-c2cccnc2)nn1CC#N ZINC000409440319 343851869 /nfs/dbraw/zinc/85/18/69/343851869.db2.gz MLBSVQPVDQKYMR-UHFFFAOYSA-N 0 0 226.283 2.592 10 30 BFEERN CCc1[nH]nc(CC(C)C)c1CCC#N ZINC000409442257 343858020 /nfs/dbraw/zinc/85/80/20/343858020.db2.gz YFXPQBMWMXRAPG-UHFFFAOYSA-N 0 0 205.305 2.627 10 30 BFEERN CCn1nc(-c2cccs2)cc1CC#N ZINC000409443373 343867197 /nfs/dbraw/zinc/86/71/97/343867197.db2.gz LXDXEPRRGXZLRW-UHFFFAOYSA-N 0 0 217.297 2.698 10 30 BFEERN N#Cc1c(F)cccc1N1C[C@H]2CCC[C@H]21 ZINC000334582228 343893501 /nfs/dbraw/zinc/89/35/01/343893501.db2.gz DOPSLYDJISLMGO-BXKDBHETSA-N 0 0 216.259 2.686 10 30 BFEERN C=C(C)[C@H](O)c1cc(Br)ccc1N ZINC000306876654 343893874 /nfs/dbraw/zinc/89/38/74/343893874.db2.gz HNZHPPNUEFARBC-JTQLQIEISA-N 0 0 242.116 2.641 10 30 BFEERN C#CC(C)(C)Oc1ccc(C=O)cc1C ZINC000135119889 343937131 /nfs/dbraw/zinc/93/71/31/343937131.db2.gz PDQQEBGAUPMUIY-UHFFFAOYSA-N 0 0 202.253 2.598 10 30 BFEERN C#CC(C)(C)Oc1nc(Cl)cs1 ZINC000135118651 343937899 /nfs/dbraw/zinc/93/78/99/343937899.db2.gz AMTLYDNKCLPVEO-UHFFFAOYSA-N 0 0 201.678 2.587 10 30 BFEERN CN(Cc1ccccc1)c1cc(N)c(C#N)s1 ZINC000234303497 343938324 /nfs/dbraw/zinc/93/83/24/343938324.db2.gz DDFHIWIPGDUARA-UHFFFAOYSA-N 0 0 243.335 2.838 10 30 BFEERN O=[N+]([O-])c1ccc(Cl)cc1CS ZINC000149395184 347014120 /nfs/dbraw/zinc/01/41/20/347014120.db2.gz PJVAXDJVYQWQPR-UHFFFAOYSA-N 0 0 203.650 2.678 10 30 BFEERN CC(C)CNc1c(Cl)nsc1C#N ZINC000306308710 344104494 /nfs/dbraw/zinc/10/44/94/344104494.db2.gz GCUHWZNXXINYDM-UHFFFAOYSA-N 0 0 215.709 2.736 10 30 BFEERN C=CCCCn1cc(C(=O)C(F)(F)F)cn1 ZINC000585142709 344175911 /nfs/dbraw/zinc/17/59/11/344175911.db2.gz GZKFZJRSOMFKCT-UHFFFAOYSA-N 0 0 232.205 2.594 10 30 BFEERN C=C(Br)CNc1cccc(C)c1N ZINC000235781570 344131828 /nfs/dbraw/zinc/13/18/28/344131828.db2.gz QRFHJSOPDJLAFJ-UHFFFAOYSA-N 0 0 241.132 2.898 10 30 BFEERN COc1ccc(/C=C/C=C/C(C)=O)cc1OC ZINC000084515014 344194151 /nfs/dbraw/zinc/19/41/51/344194151.db2.gz NASZZNZDYTYXPT-YDFGWWAZSA-N 0 0 232.279 2.862 10 30 BFEERN O=C(/C=C/c1ccc(O)cc1)C(F)(F)F ZINC000148174243 344375945 /nfs/dbraw/zinc/37/59/45/344375945.db2.gz VFCBECZFJOHQMW-ZZXKWVIFSA-N 0 0 216.158 2.537 10 30 BFEERN COc1cc(CC#N)cc(OC)c1OC(C)C ZINC000037628012 344405619 /nfs/dbraw/zinc/40/56/19/344405619.db2.gz WVVAVOKROUOORC-UHFFFAOYSA-N 0 0 235.283 2.557 10 30 BFEERN C=C(Cl)Cn1cc2c(c1)[C@H](O)CCC2 ZINC000135455885 344418842 /nfs/dbraw/zinc/41/88/42/344418842.db2.gz MMQGICWEPLLIKC-LLVKDONJSA-N 0 0 211.692 2.610 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1NCc1cccc(F)c1 ZINC000054824658 344456622 /nfs/dbraw/zinc/45/66/22/344456622.db2.gz HOWBTQQXNSEIJP-OCCSQVGLSA-N 0 0 232.302 2.998 10 30 BFEERN N#Cc1cc(CCC2CCCCC2)ncn1 ZINC000409436632 344462932 /nfs/dbraw/zinc/46/29/32/344462932.db2.gz OLFRXRMBCNZHEL-UHFFFAOYSA-N 0 0 215.300 2.861 10 30 BFEERN N#Cc1cc(CCc2ccc(Cl)cc2)ncn1 ZINC000409436675 344463373 /nfs/dbraw/zinc/46/33/73/344463373.db2.gz TUHQXJCTLZETJL-UHFFFAOYSA-N 0 0 243.697 2.787 10 30 BFEERN COc1cccc(CN[C@H]2CCCC[C@@H]2C#N)c1 ZINC000054825538 344471724 /nfs/dbraw/zinc/47/17/24/344471724.db2.gz TZCVBKLTTHLZNS-HIFRSBDPSA-N 0 0 244.338 2.867 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1Nc1sccc1[N+](=O)[O-] ZINC000381573564 344522329 /nfs/dbraw/zinc/52/23/29/344522329.db2.gz YPTROXVYBBDDRD-YUMQZZPRSA-N 0 0 237.284 2.760 10 30 BFEERN C[C@@H]1CCC[C@](Br)(C#N)C1 ZINC000127608694 344573470 /nfs/dbraw/zinc/57/34/70/344573470.db2.gz RTHISMPAGWLZPM-HTQZYQBOSA-N 0 0 202.095 2.854 10 30 BFEERN C#Cc1cccc(NCC(=C)Br)c1 ZINC000037680840 344543426 /nfs/dbraw/zinc/54/34/26/344543426.db2.gz JYNCIRRZDHOKPQ-UHFFFAOYSA-N 0 0 236.112 2.988 10 30 BFEERN N#Cc1cc(C(F)(F)F)nc(C(F)(F)F)c1 ZINC000396083941 344597805 /nfs/dbraw/zinc/59/78/05/344597805.db2.gz IXWCISBONXPHKL-UHFFFAOYSA-N 0 0 240.106 2.991 10 30 BFEERN CC1(C)C[C@@](Br)(C#N)C(C)(C)O1 ZINC000127643540 344583863 /nfs/dbraw/zinc/58/38/63/344583863.db2.gz PXRALSMOLKNHHW-SECBINFHSA-N 0 0 232.121 2.621 10 30 BFEERN N#CCc1c(F)cc(OC(F)F)cc1F ZINC000396124544 344609459 /nfs/dbraw/zinc/60/94/59/344609459.db2.gz HGRWILZJVJQWPG-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN CC1(C)CCC[C@]1(Br)C#N ZINC000127685854 344601408 /nfs/dbraw/zinc/60/14/08/344601408.db2.gz VYYIAKMKBARGOA-QMMMGPOBSA-N 0 0 202.095 2.854 10 30 BFEERN N#CCc1ccc(C#N)c(C(F)(F)F)c1 ZINC000396110146 344605435 /nfs/dbraw/zinc/60/54/35/344605435.db2.gz ZTOOONCCBXWFRB-UHFFFAOYSA-N 0 0 210.158 2.643 10 30 BFEERN CC(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000396114207 344605973 /nfs/dbraw/zinc/60/59/73/344605973.db2.gz FJBMQFLIZZDOSR-UHFFFAOYSA-N 0 0 213.158 2.780 10 30 BFEERN CCC[C@H]1C[C@](Br)(C#N)CCO1 ZINC000127718979 344621946 /nfs/dbraw/zinc/62/19/46/344621946.db2.gz HQZKSMBGJSRAAC-IUCAKERBSA-N 0 0 232.121 2.623 10 30 BFEERN N#Cc1cc(F)ccc1N1CCC2(CC2)C1 ZINC000400443113 344693582 /nfs/dbraw/zinc/69/35/82/344693582.db2.gz JSWCUYILJSNARK-UHFFFAOYSA-N 0 0 216.259 2.688 10 30 BFEERN CC(C)(C)c1ccc([C@H](O)CC#N)s1 ZINC000166295789 344846362 /nfs/dbraw/zinc/84/63/62/344846362.db2.gz MHVASSJXTXRQSE-MRVPVSSYSA-N 0 0 209.314 2.993 10 30 BFEERN CCCCC[C@]1(C)O[C@]1(C(=O)OC)C(C)C ZINC000087649346 537870084 /nfs/dbraw/zinc/87/00/84/537870084.db2.gz XRNGTOYHQOFQRI-STQMWFEESA-N 0 0 228.332 2.923 10 30 BFEERN CC(C)Sc1ccc(N)c(CC#N)c1 ZINC000166396571 344887712 /nfs/dbraw/zinc/88/77/12/344887712.db2.gz PQXPDLJDFQSPFA-UHFFFAOYSA-N 0 0 206.314 2.835 10 30 BFEERN Cc1csc(C[C@]2(C#N)CCCS2)n1 ZINC000166447249 344898716 /nfs/dbraw/zinc/89/87/16/344898716.db2.gz RFEYAWLPCZAPRQ-JTQLQIEISA-N 0 0 224.354 2.783 10 30 BFEERN Cc1ccc(F)c(C(=O)[C@H](C)CC#N)c1 ZINC000235399421 344901915 /nfs/dbraw/zinc/90/19/15/344901915.db2.gz KSAZOBZNQOCJKN-SECBINFHSA-N 0 0 205.232 2.867 10 30 BFEERN CC(C)(C)c1ccc([C@H](O)C[C@H]2CO2)cc1 ZINC000147803297 537883625 /nfs/dbraw/zinc/88/36/25/537883625.db2.gz KGZBRTARSCGMCI-QWHCGFSZSA-N 0 0 220.312 2.806 10 30 BFEERN CC[C@@H](C#N)NC(=O)c1c(C)[nH]c2ccccc21 ZINC000123474189 345000954 /nfs/dbraw/zinc/00/09/54/345000954.db2.gz KJBBHSJGZFABQL-JTQLQIEISA-N 0 0 241.294 2.508 10 30 BFEERN CC[C@@H](S)C(=O)Nc1cccc(C)c1 ZINC000238290887 345012951 /nfs/dbraw/zinc/01/29/51/345012951.db2.gz VFFTWOZQKLHDIX-SNVBAGLBSA-N 0 0 209.314 2.642 10 30 BFEERN COc1cc(CC#N)cc(F)c1SC ZINC000238392335 345038105 /nfs/dbraw/zinc/03/81/05/345038105.db2.gz NCOPFGWARFZDGJ-UHFFFAOYSA-N 0 0 211.261 2.622 10 30 BFEERN N#Cc1cc(OC(F)F)ccc1Cl ZINC000238527069 345070485 /nfs/dbraw/zinc/07/04/85/345070485.db2.gz VYLCCYNVPLIURB-UHFFFAOYSA-N 0 0 203.575 2.813 10 30 BFEERN N#Cc1ncc(OC(F)(F)F)cc1Cl ZINC000238540063 345073484 /nfs/dbraw/zinc/07/34/84/345073484.db2.gz KAVUMLXNZVEQKK-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#Cc1cnc(Cl)cc1OC(F)(F)F ZINC000238531132 345073688 /nfs/dbraw/zinc/07/36/88/345073688.db2.gz RQAGWBTTZNMIKS-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#Cc1c(Cl)ccnc1OC(F)(F)F ZINC000238549639 345075424 /nfs/dbraw/zinc/07/54/24/345075424.db2.gz FPKRPZOLZJUOPA-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#Cc1nccc(Cl)c1OC(F)(F)F ZINC000238520686 345067432 /nfs/dbraw/zinc/06/74/32/345067432.db2.gz OZCNHLMQXOUEDO-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN C=CCCCCCN(C)C(=O)[C@H]1CC[C@@H](C)O1 ZINC000155966458 345114903 /nfs/dbraw/zinc/11/49/03/345114903.db2.gz VZNMJMRQCWFNAN-CHWSQXEVSA-N 0 0 239.359 2.759 10 30 BFEERN Cc1cccc(NCC#N)c1Br ZINC000131642437 345303604 /nfs/dbraw/zinc/30/36/04/345303604.db2.gz MDXFHCRTXHYKSW-UHFFFAOYSA-N 0 0 225.089 2.693 10 30 BFEERN C=C(C)C(=O)c1cc(N)ccc1Br ZINC000135431269 345441699 /nfs/dbraw/zinc/44/16/99/345441699.db2.gz GFUUJUTWLRNDSD-UHFFFAOYSA-N 0 0 240.100 2.790 10 30 BFEERN CC1CC(C(=O)Nc2ccc(F)cc2C#N)C1 ZINC000084795951 345526660 /nfs/dbraw/zinc/52/66/60/345526660.db2.gz OEJOQLRJVDONNQ-UHFFFAOYSA-N 0 0 232.258 2.682 10 30 BFEERN CN(OCc1ccccc1)c1ccc(C#N)cn1 ZINC000092826249 345644501 /nfs/dbraw/zinc/64/45/01/345644501.db2.gz KOYGVDCBMCIANF-UHFFFAOYSA-N 0 0 239.278 2.521 10 30 BFEERN CC(C)(C)OC(=O)/C=C/c1ccccc1C#N ZINC000405923360 537905893 /nfs/dbraw/zinc/90/58/93/537905893.db2.gz DCCXCSQGPFMZBF-CMDGGOBGSA-N 0 0 229.279 2.913 10 30 BFEERN CCCCC(CCCC)=NNC(N)=S ZINC000033841195 345816177 /nfs/dbraw/zinc/81/61/77/345816177.db2.gz YPXYZYZVDSWSKZ-UHFFFAOYSA-N 0 0 215.366 2.556 10 30 BFEERN COc1cc(/C=N/C(C)C)cc(OC)c1OC ZINC000032257294 345760479 /nfs/dbraw/zinc/76/04/79/345760479.db2.gz MAWBQYAEKGSTLX-RIYZIHGNSA-N 0 0 237.299 2.540 10 30 BFEERN NC(=O)c1ccccc1N=Cc1cccs1 ZINC000257354477 345774959 /nfs/dbraw/zinc/77/49/59/345774959.db2.gz XZLFLMNJARKUDW-UHFFFAOYSA-N 0 0 230.292 2.598 10 30 BFEERN C#CC[C@H](C)Nc1ccncc1Br ZINC000164040400 345781745 /nfs/dbraw/zinc/78/17/45/345781745.db2.gz ROVMQNGPKSLLPR-QMMMGPOBSA-N 0 0 239.116 2.668 10 30 BFEERN Cc1cccc(NC(=O)/N=C2/CCCN2C)c1 ZINC000137136772 345801889 /nfs/dbraw/zinc/80/18/89/345801889.db2.gz KPPUYCQSSNJGRN-QINSGFPZSA-N 0 0 231.299 2.651 10 30 BFEERN C=CCOc1ccc(C(=O)OC)cc1CC=C ZINC000138099858 345804940 /nfs/dbraw/zinc/80/49/40/345804940.db2.gz OWUUETLIJGEIAQ-UHFFFAOYSA-N 0 0 232.279 2.767 10 30 BFEERN CCCCCCC[C@@](O)(C(N)=O)c1ccccc1 ZINC000034804577 345842326 /nfs/dbraw/zinc/84/23/26/345842326.db2.gz FXKCDILPUXRDAT-HNNXBMFYSA-N 0 0 249.354 2.720 10 30 in-vivo BFEERN C=CCOc1cc2[nH]c(=O)cc(C)c2cc1C ZINC000034432187 345832646 /nfs/dbraw/zinc/83/26/46/345832646.db2.gz UFLRHEGLIKVMHY-UHFFFAOYSA-N 0 0 229.279 2.710 10 30 BFEERN C#CC[C@@]1(C)CCc2cc(OC)ccc2C1=O ZINC000214902846 345837090 /nfs/dbraw/zinc/83/70/90/345837090.db2.gz MOTQWMAFUVGZHZ-HNNXBMFYSA-N 0 0 228.291 2.854 10 30 BFEERN CC1(C)OC[C@H](CCC#CCC2CC2)O1 ZINC000143705041 345867074 /nfs/dbraw/zinc/86/70/74/345867074.db2.gz UEGZMFXMAZHBQR-LBPRGKRZSA-N 0 0 208.301 2.722 10 30 BFEERN C#CCC(=O)c1cccc(C)c1Br ZINC000235776472 345868201 /nfs/dbraw/zinc/86/82/01/345868201.db2.gz IREXMNSCBUISPL-UHFFFAOYSA-N 0 0 237.096 2.964 10 30 BFEERN C=CCC(=O)Nc1cc(C)cnc1Cl ZINC000235811247 345924580 /nfs/dbraw/zinc/92/45/80/345924580.db2.gz INGGLQUSWSFFCU-UHFFFAOYSA-N 0 0 210.664 2.558 10 30 BFEERN Cc1ccc([S@](=O)/N=C/C(C)C)cc1 ZINC000033960832 345957028 /nfs/dbraw/zinc/95/70/28/345957028.db2.gz MBDKDEQCBUDADQ-CEFACKQISA-N 0 0 209.314 2.744 10 30 BFEERN C#C[C@H](C)Nc1ncc(Br)cc1C ZINC000166903530 345949736 /nfs/dbraw/zinc/94/97/36/345949736.db2.gz WBCVONGAZTZYNE-QMMMGPOBSA-N 0 0 239.116 2.586 10 30 BFEERN Cc1ccc(CN[C@@H]2CCCC[C@H]2C#N)nc1 ZINC000401058213 346086541 /nfs/dbraw/zinc/08/65/41/346086541.db2.gz NPOFUIPFSZVFJG-GXTWGEPZSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1coc(S[C@H]2CCC[C@H]2C#N)n1 ZINC000235942351 346173539 /nfs/dbraw/zinc/17/35/39/346173539.db2.gz AYYSBPUIXSOJKZ-IUCAKERBSA-N 0 0 208.286 2.767 10 30 BFEERN O=C1C=CO[C@@H](c2cc(F)cc(F)c2)C1 ZINC000236157293 346200333 /nfs/dbraw/zinc/20/03/33/346200333.db2.gz PWWLMIUGCFDPAU-LLVKDONJSA-N 0 0 210.179 2.509 10 30 BFEERN Cc1cccc(/C(=N/O)c2ccccc2)c1O ZINC000028760538 179001847 /nfs/dbraw/zinc/00/18/47/179001847.db2.gz MDQLDAVOQUEEGX-FYWRMAATSA-N 0 0 227.263 2.927 10 30 BFEERN N#CCc1ncc(Cl)cc1Br ZINC000161714369 346497462 /nfs/dbraw/zinc/49/74/62/346497462.db2.gz BLZGWMXXXYMNDR-UHFFFAOYSA-N 0 0 231.480 2.564 10 30 BFEERN Cc1nc(C#N)sc1-c1ccnc(C)c1 ZINC000669379896 537982950 /nfs/dbraw/zinc/98/29/50/537982950.db2.gz IBVNITWZVLXJDE-UHFFFAOYSA-N 0 0 215.281 2.694 10 30 BFEERN ON=C1CCC(OCc2ccccc2)CC1 ZINC000164185065 346595051 /nfs/dbraw/zinc/59/50/51/346595051.db2.gz HWOUQFQGFOUCES-UHFFFAOYSA-N 0 0 219.284 2.976 10 30 BFEERN C=C[C@H](NCc1ccccc1)C(F)(F)F ZINC000021988049 187371690 /nfs/dbraw/zinc/37/16/90/187371690.db2.gz NPWVCBUMBXCWPG-JTQLQIEISA-N 0 0 215.218 2.893 10 30 BFEERN N#CCOc1ccc(C(F)(F)F)cc1 ZINC000019616061 347249345 /nfs/dbraw/zinc/24/93/45/347249345.db2.gz BCHCMLGDPHKUDZ-UHFFFAOYSA-N 0 0 201.147 2.608 10 30 BFEERN Cc1ccccc1C(=O)N(CCC#N)C1CC1 ZINC000042359488 179245914 /nfs/dbraw/zinc/24/59/14/179245914.db2.gz VYKZJIUVERMQQM-UHFFFAOYSA-N 0 0 228.295 2.513 10 30 BFEERN COC(=O)C[C@]1([C@@H]2CO2)CCCC(C)(C)C1 ZINC000675055270 537990365 /nfs/dbraw/zinc/99/03/65/537990365.db2.gz ZRDZBHURRUYZRD-GXFFZTMASA-N 0 0 226.316 2.535 10 30 BFEERN Cc1ccc(NC(=O)/N=C2/CCCN2C)cc1 ZINC000198593987 347652353 /nfs/dbraw/zinc/65/23/53/347652353.db2.gz VITVUBYLWGFJOH-QINSGFPZSA-N 0 0 231.299 2.651 10 30 BFEERN CC(C)=CCC[C@@H](C)CC(=O)N[C@H](C)C#N ZINC000592614411 347803977 /nfs/dbraw/zinc/80/39/77/347803977.db2.gz UETDXATWPXPAJE-VXGBXAGGSA-N 0 0 222.332 2.787 10 30 BFEERN Cc1ccccc1N[C@]1(C#N)CCSC1 ZINC000037937913 179306818 /nfs/dbraw/zinc/30/68/18/179306818.db2.gz IUHHBZIOTYZSCD-LBPRGKRZSA-N 0 0 218.325 2.806 10 30 BFEERN C[Si](C)(C)C#Cc1ccc(C2OCCO2)cc1 ZINC000201335226 347883227 /nfs/dbraw/zinc/88/32/27/347883227.db2.gz MBCAGEMZHOCCET-UHFFFAOYSA-N 0 0 246.382 2.961 10 30 BFEERN C[C@H](C#N)C(=O)c1c(F)cccc1Cl ZINC000036935127 347963866 /nfs/dbraw/zinc/96/38/66/347963866.db2.gz ZHIZCPIAMVGDEP-ZCFIWIBFSA-N 0 0 211.623 2.821 10 30 BFEERN C[C@H](C#N)C(=O)c1ccc(Br)s1 ZINC000036935175 347964476 /nfs/dbraw/zinc/96/44/76/347964476.db2.gz VUTCZZDTUNHKAB-RXMQYKEDSA-N 0 0 244.113 2.853 10 30 BFEERN Cc1ccccc1[C@H](C#N)NCC(F)(F)F ZINC000037971012 179332549 /nfs/dbraw/zinc/33/25/49/179332549.db2.gz QKEVYIIFFHXMDX-JTQLQIEISA-N 0 0 228.217 2.712 10 30 BFEERN Cc1ccccc1[C@H](C)Nc1ccc(C#N)nn1 ZINC000301840773 179340111 /nfs/dbraw/zinc/34/01/11/179340111.db2.gz PCYZGXSKKZDZLL-NSHDSACASA-N 0 0 238.294 2.830 10 30 BFEERN Cc1cc(C)c(C#N)c(N2C[C@H]3CCCC[C@H]32)n1 ZINC000370678226 187385638 /nfs/dbraw/zinc/38/56/38/187385638.db2.gz VGCHJLCFZZOIIF-TZMCWYRMSA-N 0 0 241.338 2.949 10 30 BFEERN C=CCC[C@@H]1CCCC(C(=O)OCC)=C1O ZINC000197166773 348115109 /nfs/dbraw/zinc/11/51/09/348115109.db2.gz NBWDGGPAJJEMLO-MNOVXSKESA-N 0 0 224.300 2.501 10 30 BFEERN Cn1c(C#C[Si](C)(C)C)nc2ccccc21 ZINC000169972290 187389843 /nfs/dbraw/zinc/38/98/43/187389843.db2.gz GCLKSMSLSYZOFX-UHFFFAOYSA-N 0 0 228.371 2.802 10 30 BFEERN C[C@H]1OC2=C(C(=O)C(=O)c3ccccc32)C1(C)C ZINC000001531757 187391219 /nfs/dbraw/zinc/39/12/19/187391219.db2.gz WGENOABUKBFVAA-MRVPVSSYSA-N 0 0 242.274 2.608 10 30 in-vitro BFEERN Cc1nc(CN[C@@H]2CCCC[C@@H]2C#N)sc1C ZINC000595688984 348314720 /nfs/dbraw/zinc/31/47/20/348314720.db2.gz JQUWLSDSZWPDDI-VXGBXAGGSA-N 0 0 249.383 2.932 10 30 BFEERN Cc1ccnc2[nH]c(-c3ccc(C#N)cc3)nc21 ZINC000104216679 179469767 /nfs/dbraw/zinc/46/97/67/179469767.db2.gz LUHVGWRPCUUGRT-UHFFFAOYSA-N 0 0 234.262 2.805 10 30 BFEERN COC(=O)/C(C)=N/c1c(C)cccc1C ZINC000197930494 348515999 /nfs/dbraw/zinc/51/59/99/348515999.db2.gz WFZPBUTULGVOSP-JLHYYAGUSA-N 0 0 205.257 2.569 10 30 BFEERN C=CCc1cccc(COCCOC)c1 ZINC000669383060 538006658 /nfs/dbraw/zinc/00/66/58/538006658.db2.gz WOFIFNDYHSDIGS-UHFFFAOYSA-N 0 0 206.285 2.578 10 30 BFEERN N#Cc1cccc(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000596977354 348638385 /nfs/dbraw/zinc/63/83/85/348638385.db2.gz KGFYKLQCUKDNSR-KGLIPLIRSA-N 0 0 228.295 2.538 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1CCC2(CC2)CC1 ZINC000597338420 348719618 /nfs/dbraw/zinc/71/96/18/348719618.db2.gz HLKFCNSRWPEMII-OLZOCXBDSA-N 0 0 246.354 2.765 10 30 BFEERN COc1ccccc1C#Cc1cccc(N)c1 ZINC000037547758 348846089 /nfs/dbraw/zinc/84/60/89/348846089.db2.gz TXCNXIPUHQCTAJ-UHFFFAOYSA-N 0 0 223.275 2.677 10 30 BFEERN N#C[C@H]1CCCC[C@H]1NCc1cncc(Cl)c1 ZINC000598627363 349004488 /nfs/dbraw/zinc/00/44/88/349004488.db2.gz RGSLYQOYPLTOKI-DGCLKSJQSA-N 0 0 249.745 2.907 10 30 BFEERN C=C(C)CC(=O)c1ccc2c(c1)OCCO2 ZINC000071520452 187424168 /nfs/dbraw/zinc/42/41/68/187424168.db2.gz FMMOVWKAAGZQNC-UHFFFAOYSA-N 0 0 218.252 2.607 10 30 BFEERN C[C@H](C=O)Sc1ccc(F)c(F)c1 ZINC000616573793 349072988 /nfs/dbraw/zinc/07/29/88/349072988.db2.gz UPXACQWNDBZWJY-ZCFIWIBFSA-N 0 0 202.225 2.644 10 30 BFEERN N#CCc1c(F)cccc1OC(F)(F)F ZINC000616575967 349094433 /nfs/dbraw/zinc/09/44/33/349094433.db2.gz KSONZUMJQYBHQM-UHFFFAOYSA-N 0 0 219.137 2.790 10 30 BFEERN N#CCc1cccc(F)c1OC(F)(F)F ZINC000616576813 349103600 /nfs/dbraw/zinc/10/36/00/349103600.db2.gz QZAKWHZYQJFSTD-UHFFFAOYSA-N 0 0 219.137 2.790 10 30 BFEERN C=CCN(C(=O)c1cc(N)c(C)s1)C(C)C ZINC000040329047 166312720 /nfs/dbraw/zinc/31/27/20/166312720.db2.gz NPBSBGVVJRKCIL-UHFFFAOYSA-N 0 0 238.356 2.675 10 30 BFEERN Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H]32)cc1C#N ZINC000599342406 349153133 /nfs/dbraw/zinc/15/31/33/349153133.db2.gz QBGYHOKZZMYBFY-HIFRSBDPSA-N 0 0 226.323 2.851 10 30 BFEERN CC(=O)Nc1ccc2c(c1)CCC[C@H]2C#N ZINC000059429561 349221215 /nfs/dbraw/zinc/22/12/15/349221215.db2.gz ZDZWHUBLDZGZGV-NSHDSACASA-N 0 0 214.268 2.588 10 30 BFEERN O=C(/C=C/c1ccco1)c1cccc(O)c1 ZINC000059434764 349222211 /nfs/dbraw/zinc/22/22/11/349222211.db2.gz HQVKSSBNWSCWHD-VOTSOKGWSA-N 0 0 214.220 2.881 10 30 BFEERN CCCCCCCOCCC(=O)OC ZINC000059082851 349202794 /nfs/dbraw/zinc/20/27/94/349202794.db2.gz GXCKNPUJHBVNDA-UHFFFAOYSA-N 0 0 202.294 2.537 10 30 BFEERN Cc1cccc(C#C[C@@H]2CCC[C@H]2O)c1 ZINC000616581071 349261210 /nfs/dbraw/zinc/26/12/10/349261210.db2.gz CUSCKZHGAIBUQE-UONOGXRCSA-N 0 0 200.281 2.508 10 30 BFEERN CCCCCC#CC[C@@H](O)C(F)(F)F ZINC000616581515 349264169 /nfs/dbraw/zinc/26/41/69/349264169.db2.gz XIFJEVMYMYBEIH-SECBINFHSA-N 0 0 208.223 2.883 10 30 BFEERN CCC1CCC(C#N)(NC(=O)CC2CC2)CC1 ZINC000049730552 187435033 /nfs/dbraw/zinc/43/50/33/187435033.db2.gz HWSDVAVKKVWMGQ-UHFFFAOYSA-N 0 0 234.343 2.765 10 30 BFEERN Nc1ccc(/N=C/c2ccc(O)cc2)cc1 ZINC000309048130 349402929 /nfs/dbraw/zinc/40/29/29/349402929.db2.gz WHHJCZNULUTCJO-OQLLNIDSSA-N 0 0 212.252 2.725 10 30 BFEERN CC#CC[C@H](O)Cc1cccc(Cl)c1 ZINC000051664701 350021668 /nfs/dbraw/zinc/02/16/68/350021668.db2.gz JXBORGJEPUTILN-LBPRGKRZSA-N 0 0 208.688 2.657 10 30 BFEERN Cc1nc(CN[C@@H]2CCCC[C@@H]2C#N)cs1 ZINC000054826253 179970615 /nfs/dbraw/zinc/97/06/15/179970615.db2.gz ODLVLZSJQGFGPL-ZYHUDNBSSA-N 0 0 235.356 2.624 10 30 BFEERN Cc1nc(CN[C@@H]2CCCC[C@H]2C#N)cs1 ZINC000054826255 179971676 /nfs/dbraw/zinc/97/16/76/179971676.db2.gz ODLVLZSJQGFGPL-CMPLNLGQSA-N 0 0 235.356 2.624 10 30 BFEERN N#C[C@@H](CC1CC1)c1cnc(C(F)(F)F)nc1 ZINC000217350030 350050744 /nfs/dbraw/zinc/05/07/44/350050744.db2.gz HWCLPBZLDMYOFS-MRVPVSSYSA-N 0 0 241.216 2.903 10 30 BFEERN CC(C)(C)[S@](=O)/N=C/c1cc(F)ccc1F ZINC000309153299 350107938 /nfs/dbraw/zinc/10/79/38/350107938.db2.gz LLUKQQYCLSLLMV-KAMPRCONSA-N 0 0 245.294 2.846 10 30 BFEERN Cc1nc(N[C@H](C)C(C)C)ccc1C#N ZINC000291573005 180023370 /nfs/dbraw/zinc/02/33/70/180023370.db2.gz FDBNITCEGVAQAH-SECBINFHSA-N 0 0 203.289 2.718 10 30 BFEERN C[C@H]1CC=CC[C@@H]1COc1ccnc(C#N)c1 ZINC000061815386 187438950 /nfs/dbraw/zinc/43/89/50/187438950.db2.gz GRUKAUUCOBATLX-NWDGAFQWSA-N 0 0 228.295 2.934 10 30 BFEERN CC(C)=CC(=O)[C@@H]1COc2ccccc21 ZINC000128791509 350145148 /nfs/dbraw/zinc/14/51/48/350145148.db2.gz AMORLZQLILJNMV-LLVKDONJSA-N 0 0 202.253 2.698 10 30 BFEERN Cc1nc2cnccc2n1-c1ccc(C#N)cc1 ZINC000039170686 180109325 /nfs/dbraw/zinc/10/93/25/180109325.db2.gz FLZZNCMRFDMVDR-UHFFFAOYSA-N 0 0 234.262 2.601 10 30 BFEERN Cc1nc[nH]c1CNc1ccc(C#N)c(Cl)c1 ZINC000054794516 180121632 /nfs/dbraw/zinc/12/16/32/180121632.db2.gz KZMXMJKFFGHNDR-UHFFFAOYSA-N 0 0 246.701 2.855 10 30 BFEERN Cc1nc[nH]c1CNc1cc(C#N)cc(F)c1C ZINC000054795801 180121704 /nfs/dbraw/zinc/12/17/04/180121704.db2.gz VRBQCSUQJQFLJO-UHFFFAOYSA-N 0 0 244.273 2.649 10 30 BFEERN CCC[C@@](C)(C#N)NCc1ccccc1 ZINC000037939451 350292990 /nfs/dbraw/zinc/29/29/90/350292990.db2.gz IYRCDFOUBMFSSY-ZDUSSCGKSA-N 0 0 202.301 2.859 10 30 BFEERN Cc1nn(C)c(C)c1NCc1ccc(C#N)cc1 ZINC000020135048 180344131 /nfs/dbraw/zinc/34/41/31/180344131.db2.gz GTKJGSCSULYITC-UHFFFAOYSA-N 0 0 240.310 2.521 10 30 BFEERN Cc1nn(C)c(Oc2ccc(F)cc2F)c1C#N ZINC000104313724 180362302 /nfs/dbraw/zinc/36/23/02/180362302.db2.gz JZHFQGMRSGUXML-UHFFFAOYSA-N 0 0 249.220 2.671 10 30 BFEERN SCCOc1cnc2ccccc2c1 ZINC000230224991 350597716 /nfs/dbraw/zinc/59/77/16/350597716.db2.gz SWAYXWBSJFRFJJ-UHFFFAOYSA-N 0 0 205.282 2.543 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1[NH2+]C1Cc2ccccc2C1 ZINC000236215165 350731745 /nfs/dbraw/zinc/73/17/45/350731745.db2.gz VLGZDJZCVPLJQR-ZBFHGGJFSA-N 0 0 240.350 2.826 10 30 BFEERN CCc1c(C#N)ccc(C(=O)OC)c1Cl ZINC000238294196 350763870 /nfs/dbraw/zinc/76/38/70/350763870.db2.gz JMVQRYABQKFIPU-UHFFFAOYSA-N 0 0 223.659 2.561 10 30 BFEERN CCOC(=O)N1CCC[C@H]1c1cccc(C#N)c1 ZINC000616607368 350801241 /nfs/dbraw/zinc/80/12/41/350801241.db2.gz OPCQESGHEIYSJZ-ZDUSSCGKSA-N 0 0 244.294 2.852 10 30 BFEERN O=C[C@@H]1CCC[C@]2(CC3CCC2CC3)O1 ZINC000306682975 350839489 /nfs/dbraw/zinc/83/94/89/350839489.db2.gz UCQMEXVTSNGZDP-IFWUJCSASA-N 0 0 208.301 2.703 10 30 BFEERN CC(=O)N1CCCC[C@H]1c1ccc(C#N)cc1 ZINC000616616761 350856087 /nfs/dbraw/zinc/85/60/87/350856087.db2.gz XFWWQHZVZZYJNY-AWEZNQCLSA-N 0 0 228.295 2.632 10 30 BFEERN CN(C)[C@H](C#N)c1cccc(C(F)(F)F)c1 ZINC000037354859 362987656 /nfs/dbraw/zinc/98/76/56/362987656.db2.gz IQKMIFPCHIPZBT-SNVBAGLBSA-N 0 0 228.217 2.832 10 30 BFEERN N#Cc1ccc(-c2cnc(C=O)s2)s1 ZINC000306732624 350901158 /nfs/dbraw/zinc/90/11/58/350901158.db2.gz SDFJVRCUWZGYCP-UHFFFAOYSA-N 0 0 220.278 2.556 10 30 BFEERN C/C(=N\O)c1ccc(C)cc1Br ZINC000306719954 350880491 /nfs/dbraw/zinc/88/04/91/350880491.db2.gz YXEKBTRLCSBEAV-YRNVUSSQSA-N 0 0 228.089 2.956 10 30 BFEERN CC(C)(C)C#CC[C@@]1(C=O)CCCS1 ZINC000306726300 350896255 /nfs/dbraw/zinc/89/62/55/350896255.db2.gz LYBALNOIIWRKHW-LBPRGKRZSA-N 0 0 210.342 2.891 10 30 BFEERN N#CCc1cc(Cl)cnc1C(F)(F)F ZINC000306726640 350896364 /nfs/dbraw/zinc/89/63/64/350896364.db2.gz ZUDMQPOJEMOSMS-UHFFFAOYSA-N 0 0 220.581 2.820 10 30 BFEERN CC#C[C@H](O)c1ccc(F)c(Br)c1 ZINC000306728733 350897291 /nfs/dbraw/zinc/89/72/91/350897291.db2.gz NWFMZYXVYAMLSN-JTQLQIEISA-N 0 0 243.075 2.645 10 30 BFEERN C[C@@H](C#N)Oc1cc(Cl)c(Cl)cc1N ZINC000231633053 350989822 /nfs/dbraw/zinc/98/98/22/350989822.db2.gz MTVDJNWCZKCRIZ-YFKPBYRVSA-N 0 0 231.082 2.866 10 30 BFEERN C=CC[NH2+][C@H](C)c1ccccc1OCC ZINC000019875943 191129436 /nfs/dbraw/zinc/12/94/36/191129436.db2.gz TZSVHBBIVKNGPD-LLVKDONJSA-N 0 0 205.301 2.922 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1ncccc1C#N ZINC000231662527 351048665 /nfs/dbraw/zinc/04/86/65/351048665.db2.gz YXGJUDOQZYEQES-ONGXEEELSA-N 0 0 201.273 2.554 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1cccc(C#N)n1 ZINC000231663930 351052014 /nfs/dbraw/zinc/05/20/14/351052014.db2.gz ULBICRAQHLIDMJ-GXSJLCMTSA-N 0 0 201.273 2.554 10 30 BFEERN CC(=O)N1CCCC[C@@H]1c1cccc(C#N)c1 ZINC000616626047 351087628 /nfs/dbraw/zinc/08/76/28/351087628.db2.gz PUNITPSWSVBBKH-CQSZACIVSA-N 0 0 228.295 2.632 10 30 BFEERN N#Cc1ccccc1[C@H]1CCCCCN1C(N)=O ZINC000616624899 351093054 /nfs/dbraw/zinc/09/30/54/351093054.db2.gz SOIYEOJGPXBLNM-CYBMUJFWSA-N 0 0 243.310 2.554 10 30 BFEERN CC(=O)N1CCCC[C@@H](c2ccccc2C#N)C1 ZINC000616627418 351094567 /nfs/dbraw/zinc/09/45/67/351094567.db2.gz BOHKGMVHKNLRJH-CQSZACIVSA-N 0 0 242.322 2.674 10 30 BFEERN C=CC[C@H](C)Nc1cnc(Br)cn1 ZINC000306836409 351147341 /nfs/dbraw/zinc/14/73/41/351147341.db2.gz SYRYWZCPCUAJMS-ZETCQYMHSA-N 0 0 242.120 2.616 10 30 BFEERN C[C@]1([C@@H]2CC[C@@H](CC#N)O2)CCCS1 ZINC000306884387 351290532 /nfs/dbraw/zinc/29/05/32/351290532.db2.gz MAWGAWHDNUBQLK-GARJFASQSA-N 0 0 211.330 2.733 10 30 BFEERN O=CCCSc1ccc2ccccc2n1 ZINC000379975919 351303552 /nfs/dbraw/zinc/30/35/52/351303552.db2.gz QMZOTOFZBJTUBY-UHFFFAOYSA-N 0 0 217.293 2.916 10 30 BFEERN CC#CCCC(=O)c1ccc(N)c(C)c1 ZINC000168194741 351336551 /nfs/dbraw/zinc/33/65/51/351336551.db2.gz VQMRHMWQWTUIEG-UHFFFAOYSA-N 0 0 201.269 2.563 10 30 BFEERN Cc1cc(C#N)c(Br)c([N+](=O)[O-])c1 ZINC000306937646 351359246 /nfs/dbraw/zinc/35/92/46/351359246.db2.gz LTARDVUSCIAJIM-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN COC(=O)c1c(Cl)cc(Cl)cc1C#N ZINC000307029691 351430851 /nfs/dbraw/zinc/43/08/51/351430851.db2.gz ONJGPNXMNVXAOA-UHFFFAOYSA-N 0 0 230.050 2.652 10 30 BFEERN N#CCc1cc(F)c(C(F)F)cc1F ZINC000307039535 351437337 /nfs/dbraw/zinc/43/73/37/351437337.db2.gz KHKZFXZZZXJZMS-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN O=C(c1csc(Cl)c1)C1=COCC1 ZINC000306994028 351410818 /nfs/dbraw/zinc/41/08/18/351410818.db2.gz MJXQYOLIWLEJOA-UHFFFAOYSA-N 0 0 214.673 2.888 10 30 BFEERN C=CCn1cc(OC(C)=O)c2ccccc21 ZINC000096675620 187500608 /nfs/dbraw/zinc/50/06/08/187500608.db2.gz BWBXNELRBNKHDW-UHFFFAOYSA-N 0 0 215.252 2.753 10 30 BFEERN N#CCc1cc(F)c(F)cc1OC(F)F ZINC000396125387 352386202 /nfs/dbraw/zinc/38/62/02/352386202.db2.gz KVUPMVNLXHFXPV-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN C=C[C@H]([NH2+]C)c1cscc1Br ZINC000404796316 352469240 /nfs/dbraw/zinc/46/92/40/352469240.db2.gz ICKUHKZBHFBESF-QMMMGPOBSA-N 0 0 232.146 2.957 10 30 BFEERN C[C@H](C(=O)C1=COCC1)c1ccccc1 ZINC000307463383 352611937 /nfs/dbraw/zinc/61/19/37/352611937.db2.gz HGOXWYMFZYFKFR-JTQLQIEISA-N 0 0 202.253 2.663 10 30 BFEERN Cc1c(Br)cccc1NCC#N ZINC000232240714 352576258 /nfs/dbraw/zinc/57/62/58/352576258.db2.gz HVDQOJMJDUYCJK-UHFFFAOYSA-N 0 0 225.089 2.693 10 30 BFEERN Cc1ccsc1[C@@H]1CC[C@@](C)(C=O)O1 ZINC000307407995 352581827 /nfs/dbraw/zinc/58/18/27/352581827.db2.gz FQSALFQLZACSAL-ONGXEEELSA-N 0 0 210.298 2.866 10 30 BFEERN CCc1ccc([C@H]2CC[C@@](C)(C=O)O2)o1 ZINC000307574490 352658216 /nfs/dbraw/zinc/65/82/16/352658216.db2.gz HHZFZSBONSFGOI-NEPJUHHUSA-N 0 0 208.257 2.651 10 30 BFEERN C#CC(=O)c1c(C)cccc1Br ZINC000307592553 352662708 /nfs/dbraw/zinc/66/27/08/352662708.db2.gz IAGKFRORAHLNOV-UHFFFAOYSA-N 0 0 223.069 2.573 10 30 BFEERN CC(C)Oc1nccc(C#N)c1Br ZINC000725273675 538105003 /nfs/dbraw/zinc/10/50/03/538105003.db2.gz UBFYHIRAGMFTBW-UHFFFAOYSA-N 0 0 241.088 2.503 10 30 BFEERN Cc1nc(C#Cc2ccc(Cl)nc2)cs1 ZINC000013680970 187819716 /nfs/dbraw/zinc/81/97/16/187819716.db2.gz PYMPQHSJRUVZKT-UHFFFAOYSA-N 0 0 234.711 2.900 10 30 BFEERN N#CCc1cncc(Cl)c1C(F)(F)F ZINC000307624028 352695295 /nfs/dbraw/zinc/69/52/95/352695295.db2.gz MQHKJQWTNACKBY-UHFFFAOYSA-N 0 0 220.581 2.820 10 30 BFEERN C=CC(=O)Cc1sccc1Br ZINC000232464293 352717044 /nfs/dbraw/zinc/71/70/44/352717044.db2.gz WUBGXLOOQGKENV-UHFFFAOYSA-N 0 0 231.114 2.808 10 30 BFEERN CC(C)CN[C@@H](C#N)c1ccccc1F ZINC000019988434 187826410 /nfs/dbraw/zinc/82/64/10/187826410.db2.gz JSYDAAXLRBUGFP-LBPRGKRZSA-N 0 0 206.264 2.636 10 30 BFEERN C[C@]1(c2c(F)cccc2Cl)O[C@@H]1C#N ZINC000307678941 352756537 /nfs/dbraw/zinc/75/65/37/352756537.db2.gz PPHDRTKABFZDLX-SCZZXKLOSA-N 0 0 211.623 2.617 10 30 BFEERN O=C(c1ccc(Br)o1)C1=COCC1 ZINC000306620755 353029654 /nfs/dbraw/zinc/02/96/54/353029654.db2.gz XUUOYHOPBGCSRP-UHFFFAOYSA-N 0 0 243.056 2.529 10 30 BFEERN C#CCCNc1ncnc(Cl)c1C(C)C ZINC000229302275 353008795 /nfs/dbraw/zinc/00/87/95/353008795.db2.gz CKTLBAUUZDARFX-UHFFFAOYSA-N 0 0 223.707 2.689 10 30 BFEERN O=CC1(Cc2cncs2)CCCCC1 ZINC000307344045 353069625 /nfs/dbraw/zinc/06/96/25/353069625.db2.gz YIDYAVBWDPTQII-UHFFFAOYSA-N 0 0 209.314 2.835 10 30 BFEERN C=C(Cl)CNc1cc(C)nc(Cl)n1 ZINC000229314943 353109754 /nfs/dbraw/zinc/10/97/54/353109754.db2.gz UHKQMWWWWGWGME-UHFFFAOYSA-N 0 0 218.087 2.603 10 30 BFEERN CC[C@]1(C#N)COc2cc(C)c(C)cc2O1 ZINC000536952647 323959052 /nfs/dbraw/zinc/95/90/52/323959052.db2.gz DDOYCCZQKXEEKU-ZDUSSCGKSA-N 0 0 217.268 2.747 10 30 BFEERN Cc1c(Cl)ccc([N+](=O)[O-])c1CC#N ZINC000307738330 353122422 /nfs/dbraw/zinc/12/24/22/353122422.db2.gz WMICCNHHKVLLDL-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN C#C[C@H](C)Nc1ncnc(Cl)c1C(C)C ZINC000229335742 353125914 /nfs/dbraw/zinc/12/59/14/353125914.db2.gz PLMOCZNBFICFAP-QMMMGPOBSA-N 0 0 223.707 2.687 10 30 BFEERN C#C[C@H](C)Nc1cc(Cl)nc(CCC)n1 ZINC000229336167 353126120 /nfs/dbraw/zinc/12/61/20/353126120.db2.gz JYFBNAIVETXCBH-QMMMGPOBSA-N 0 0 223.707 2.516 10 30 BFEERN CC1(CNc2c(Cl)nsc2C#N)CC1 ZINC000307751449 353127792 /nfs/dbraw/zinc/12/77/92/353127792.db2.gz OBJNHDDLUCEANU-UHFFFAOYSA-N 0 0 227.720 2.880 10 30 BFEERN CC(C)(C)Oc1nccc(C#N)c1Cl ZINC000232558774 353128646 /nfs/dbraw/zinc/12/86/46/353128646.db2.gz OPIJORDIELRVLS-UHFFFAOYSA-N 0 0 210.664 2.784 10 30 BFEERN CC(C)(C)C(=O)[C@H](C#N)c1cccs1 ZINC000052902857 353131806 /nfs/dbraw/zinc/13/18/06/353131806.db2.gz ZZQNZTGUTMKBEC-MRVPVSSYSA-N 0 0 207.298 2.970 10 30 BFEERN CC(C)CCNc1cc(N)c(C#N)s1 ZINC000232576034 353136393 /nfs/dbraw/zinc/13/63/93/353136393.db2.gz LFEIRSYXCICGMF-UHFFFAOYSA-N 0 0 209.318 2.660 10 30 BFEERN C#CC[C@@H](C)Nc1cccc(Br)n1 ZINC000229328103 353121287 /nfs/dbraw/zinc/12/12/87/353121287.db2.gz JJDDYPUZTFTFEN-MRVPVSSYSA-N 0 0 239.116 2.668 10 30 BFEERN C/C=C/CCNc1ccc([N+](=O)[O-])cc1C#N ZINC000134666129 188085913 /nfs/dbraw/zinc/08/59/13/188085913.db2.gz YTCGRCDPZAMNDX-NSCUHMNNSA-N 0 0 231.255 2.845 10 30 BFEERN C=C(C(=O)OC)[C@H](O)c1csc2ccccc21 ZINC000019835864 188059202 /nfs/dbraw/zinc/05/92/02/188059202.db2.gz NUWNWRKOBFLWLZ-LBPRGKRZSA-N 0 0 248.303 2.664 10 30 BFEERN C=CCn1c(=O)cc(C)c2cccc(OC)c21 ZINC000032530820 188060454 /nfs/dbraw/zinc/06/04/54/188060454.db2.gz YYWUHYQIWPKXTJ-UHFFFAOYSA-N 0 0 229.279 2.505 10 30 BFEERN CC[C@H](C#N)C(=O)c1cc(C)ccc1F ZINC000052983503 353147671 /nfs/dbraw/zinc/14/76/71/353147671.db2.gz GWCQQCVVEODMGG-SECBINFHSA-N 0 0 205.232 2.867 10 30 BFEERN C=CCCC(=O)N[C@H]1CCOc2ccccc21 ZINC000171423891 188079975 /nfs/dbraw/zinc/07/99/75/188079975.db2.gz DWGRNEVOXZATJJ-LBPRGKRZSA-N 0 0 231.295 2.593 10 30 BFEERN C=CC(=O)Cc1ccccc1Br ZINC000002579464 188101308 /nfs/dbraw/zinc/10/13/08/188101308.db2.gz JRIMNXKMPGUCIA-UHFFFAOYSA-N 0 0 225.085 2.747 10 30 BFEERN C=C(C(C)=O)[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000008689830 188103715 /nfs/dbraw/zinc/10/37/15/188103715.db2.gz HJELZDZKWDSNEE-LLVKDONJSA-N 0 0 244.212 2.884 10 30 BFEERN N#CCCN(C[C@@H]1CCCO1)c1ccccc1 ZINC000019511575 188107732 /nfs/dbraw/zinc/10/77/32/188107732.db2.gz ASNRHYPQJPYWSX-AWEZNQCLSA-N 0 0 230.311 2.586 10 30 BFEERN C/C(=N\O)c1ccccc1NC(=O)c1ccoc1 ZINC000019478493 188107797 /nfs/dbraw/zinc/10/77/97/188107797.db2.gz CEIDUHUGCWTZIZ-OQLLNIDSSA-N 0 0 244.250 2.730 10 30 BFEERN Cc1cccc(Oc2ncc(N)cc2C#N)c1C ZINC000037759248 188115366 /nfs/dbraw/zinc/11/53/66/188115366.db2.gz BCXLQYKBMLABGT-UHFFFAOYSA-N 0 0 239.278 2.945 10 30 BFEERN CC(C)C[C@@H](C)NC(=O)[C@H](C#N)c1ccccc1 ZINC000061614428 188128552 /nfs/dbraw/zinc/12/85/52/188128552.db2.gz GALCGXWOSVEFJZ-TZMCWYRMSA-N 0 0 244.338 2.845 10 30 BFEERN CC(C)(C)c1ccc(C#N)c([N+](=O)[O-])c1 ZINC000071261180 188130375 /nfs/dbraw/zinc/13/03/75/188130375.db2.gz WRPIHRXNDISITA-UHFFFAOYSA-N 0 0 204.229 2.764 10 30 BFEERN CCC[C@@]1(C(=O)OCC)O[C@]12CCC2(C)C ZINC000309184597 538110716 /nfs/dbraw/zinc/11/07/16/538110716.db2.gz GRDAMUPOHSELSJ-STQMWFEESA-N 0 0 226.316 2.677 10 30 BFEERN CCC[C@@]1(C(=O)OCC)O[C@@]12CCC2(C)C ZINC000309184595 538110717 /nfs/dbraw/zinc/11/07/17/538110717.db2.gz GRDAMUPOHSELSJ-QWHCGFSZSA-N 0 0 226.316 2.677 10 30 BFEERN C/C(=N\O)c1cccc(OCC(C)C)c1 ZINC000019809369 188173292 /nfs/dbraw/zinc/17/32/92/188173292.db2.gz XANBFTDXMTYHIX-JLHYYAGUSA-N 0 0 207.273 2.920 10 30 BFEERN CC(=N\O)/C(C)=C\c1ccc([N+](=O)[O-])cc1 ZINC000096587080 188147436 /nfs/dbraw/zinc/14/74/36/188147436.db2.gz ZRYGBWPWDQTJFM-HVTAIUIQSA-N 0 0 220.228 2.848 10 30 BFEERN C=C[C@](C)(OC(C)=O)c1ccc(C)cc1 ZINC000039105271 188193777 /nfs/dbraw/zinc/19/37/77/188193777.db2.gz CMOSSBCIRSWBGY-ZDUSSCGKSA-N 0 0 204.269 2.959 10 30 BFEERN N#Cc1cccc(C[C@@H]2CCCSC2=O)c1 ZINC000021994907 188179768 /nfs/dbraw/zinc/17/97/68/188179768.db2.gz NWRMDGCPYZVCJT-LBPRGKRZSA-N 0 0 231.320 2.771 10 30 BFEERN C#CC[C@@H](NN)c1cccc(Cl)c1Cl ZINC000126652257 353255661 /nfs/dbraw/zinc/25/56/61/353255661.db2.gz AAEXPKKGKSXLAE-SECBINFHSA-N 0 0 229.110 2.521 10 30 BFEERN C=CCOc1cccc2[nH]cc(C=O)c21 ZINC000059731134 188183769 /nfs/dbraw/zinc/18/37/69/188183769.db2.gz POZHILGMNQITHB-UHFFFAOYSA-N 0 0 201.225 2.545 10 30 BFEERN C=CCOc1ccc(NC(=O)C2CCC2)cc1 ZINC000040893610 188216148 /nfs/dbraw/zinc/21/61/48/188216148.db2.gz ZFTQSQFTISLDLZ-UHFFFAOYSA-N 0 0 231.295 2.990 10 30 BFEERN C[C@@H]1CC(CNc2ccc(C#N)cn2)C[C@@H](C)O1 ZINC000281945753 188206132 /nfs/dbraw/zinc/20/61/32/188206132.db2.gz SOMOHCVNELLBMI-GHMZBOCLSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@@H]1CC(CNc2ccc(C#N)nc2)C[C@@H](C)O1 ZINC000281713715 188206172 /nfs/dbraw/zinc/20/61/72/188206172.db2.gz BRRDJKXIKJEWTJ-GHMZBOCLSA-N 0 0 245.326 2.569 10 30 BFEERN C=CC[C@H]1CCC(=O)N1CCc1ccccc1 ZINC000005480657 188225694 /nfs/dbraw/zinc/22/56/94/188225694.db2.gz PDLANASAQHMCLY-AWEZNQCLSA-N 0 0 229.323 2.796 10 30 BFEERN C#CCNC(=O)[C@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000076941680 353346912 /nfs/dbraw/zinc/34/69/12/353346912.db2.gz QBTXSUKPADXCQK-CABCVRRESA-N 0 0 241.334 2.663 10 30 BFEERN C#CCNC(=O)[C@@H]1C[C@@H]1c1ccc(C(C)C)cc1 ZINC000076941688 353347049 /nfs/dbraw/zinc/34/70/49/353347049.db2.gz QBTXSUKPADXCQK-HUUCEWRRSA-N 0 0 241.334 2.663 10 30 BFEERN Cc1ccc(C(=O)CC#N)c(Br)c1 ZINC000129537259 353347927 /nfs/dbraw/zinc/34/79/27/353347927.db2.gz RCOVRUTUBSKIIY-UHFFFAOYSA-N 0 0 238.084 2.854 10 30 BFEERN CCC1(C(=O)N[C@@H]2CCC[C@H]2C#N)CCCC1 ZINC000094901781 353518210 /nfs/dbraw/zinc/51/82/10/353518210.db2.gz NNUAKTOKPUTRSW-NWDGAFQWSA-N 0 0 234.343 2.765 10 30 BFEERN Fc1ccc(NN=Cc2ccncc2)c(F)c1 ZINC000005162183 180976275 /nfs/dbraw/zinc/97/62/75/180976275.db2.gz HDDPYCLFYGFXOV-LZYBPNLTSA-N 0 0 233.221 2.806 10 30 BFEERN Cc1cc(C)cc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000061889109 353543231 /nfs/dbraw/zinc/54/32/31/353543231.db2.gz QONFTDILMBGLFO-GXTWGEPZSA-N 0 0 242.322 2.726 10 30 BFEERN Cc1ccc(C)c(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000061889065 353543282 /nfs/dbraw/zinc/54/32/82/353543282.db2.gz ZZGAWESCGLLUFH-GXTWGEPZSA-N 0 0 242.322 2.726 10 30 BFEERN CCc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061889071 353543444 /nfs/dbraw/zinc/54/34/44/353543444.db2.gz SPOQSMKMNAFKKA-ZIAGYGMSSA-N 0 0 242.322 2.671 10 30 BFEERN C=C(C)CN(C)c1cc(C)nc(C)c1C#N ZINC000135523814 353564772 /nfs/dbraw/zinc/56/47/72/353564772.db2.gz JBZGMDALVZVLMV-UHFFFAOYSA-N 0 0 215.300 2.582 10 30 BFEERN C#Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000135514640 353564871 /nfs/dbraw/zinc/56/48/71/353564871.db2.gz FNPPYPUZJCNJML-UHFFFAOYSA-N 0 0 243.306 2.966 10 30 BFEERN Cc1cccc(/C=N/c2cccc(C(N)=O)c2)c1 ZINC000003110017 188456803 /nfs/dbraw/zinc/45/68/03/188456803.db2.gz OVBHOZOHXSONNC-LICLKQGHSA-N 0 0 238.290 2.845 10 30 BFEERN N#C[C@@H](NC1CC1)c1cccc(Cl)c1 ZINC000020173883 188462586 /nfs/dbraw/zinc/46/25/86/188462586.db2.gz LVQKDANYTOFYID-LLVKDONJSA-N 0 0 206.676 2.657 10 30 BFEERN N#CCc1cccc(OCc2ccccc2)n1 ZINC000044371337 188479842 /nfs/dbraw/zinc/47/98/42/188479842.db2.gz IKRVODIMXPPYHC-UHFFFAOYSA-N 0 0 224.263 2.727 10 30 BFEERN Fc1ccccc1C[C@H]1COCC[C@@H]1S ZINC000095077134 181013924 /nfs/dbraw/zinc/01/39/24/181013924.db2.gz BKIVIBJEVXQYQX-JQWIXIFHSA-N 0 0 226.316 2.703 10 30 BFEERN N#CC1(NC[C@@H]2CCCO2)CCCCCCC1 ZINC000037940146 181030515 /nfs/dbraw/zinc/03/05/15/181030515.db2.gz FIUIPOLYXGQAQF-ZDUSSCGKSA-N 0 0 236.359 2.762 10 30 BFEERN N#CC1(Nc2ccc(Cl)cc2)CCOCC1 ZINC000037936168 181030933 /nfs/dbraw/zinc/03/09/33/181030933.db2.gz ATNYORCVSHYGES-UHFFFAOYSA-N 0 0 236.702 2.825 10 30 BFEERN N#CC1(NCC2CC2)C2CC3CC(C2)CC1C3 ZINC000055026558 181030944 /nfs/dbraw/zinc/03/09/44/181030944.db2.gz UUIOVJRCTBSJPB-UHFFFAOYSA-N 0 0 230.355 2.704 10 30 BFEERN CC1(C)O[C@H]1CCC1=CCC[C@H](C=O)C1 ZINC000005762678 188519668 /nfs/dbraw/zinc/51/96/68/188519668.db2.gz SEDWZYHPNYWAAG-RYUDHWBXSA-N 0 0 208.301 2.869 10 30 BFEERN N#CCCN(C(=O)Nc1ccccc1)C1CC1 ZINC000042249045 181037255 /nfs/dbraw/zinc/03/72/55/181037255.db2.gz WLCNJGHUPCOWRE-UHFFFAOYSA-N 0 0 229.283 2.597 10 30 BFEERN N#CCCN(C(=O)c1ccoc1)c1ccccc1 ZINC000019486601 181037439 /nfs/dbraw/zinc/03/74/39/181037439.db2.gz GTEOVRMOCAJNCF-UHFFFAOYSA-N 0 0 240.262 2.840 10 30 BFEERN N#CCc1cc(-c2ccc(F)cc2)on1 ZINC000043962459 181047150 /nfs/dbraw/zinc/04/71/50/181047150.db2.gz UCNULDXORZEQTJ-UHFFFAOYSA-N 0 0 202.188 2.547 10 30 BFEERN N#CCNc1cc(Br)ccc1F ZINC000036752145 181043083 /nfs/dbraw/zinc/04/30/83/181043083.db2.gz QJWSGQTXDBBOPL-UHFFFAOYSA-N 0 0 229.052 2.524 10 30 BFEERN N#CC[C@H](C(=O)c1ccncc1)c1ccccc1 ZINC000055026213 181046371 /nfs/dbraw/zinc/04/63/71/181046371.db2.gz DXNSGZZSGNUBAN-AWEZNQCLSA-N 0 0 236.274 2.962 10 30 BFEERN N#CCc1c(Cl)ccc(N)c1Cl ZINC000060086177 181046706 /nfs/dbraw/zinc/04/67/06/181046706.db2.gz RFDGBHBOZYUMEW-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN N#CCc1nc2c(s1)CCc1ccccc1-2 ZINC000019485309 181049790 /nfs/dbraw/zinc/04/97/90/181049790.db2.gz XBSMBYFDPPDPRL-UHFFFAOYSA-N 0 0 226.304 2.975 10 30 BFEERN N#C[C@@H](c1cc(F)ccc1F)N1CCCC1 ZINC000037355558 181057342 /nfs/dbraw/zinc/05/73/42/181057342.db2.gz PBEBLWOENKDKJE-LBPRGKRZSA-N 0 0 222.238 2.625 10 30 BFEERN N#C[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000071621961 181057387 /nfs/dbraw/zinc/05/73/87/181057387.db2.gz SKXSIKZORVYEAN-QMMMGPOBSA-N 0 0 203.138 2.995 10 30 BFEERN N#C[C@@H](Cc1ccccc1)NC1CCCC1 ZINC000037968427 181055453 /nfs/dbraw/zinc/05/54/53/181055453.db2.gz IQHWGKZUCJOVIQ-CQSZACIVSA-N 0 0 214.312 2.653 10 30 BFEERN N#C[C@@H](Cc1ccccc1)c1ccccn1 ZINC000036437358 181055998 /nfs/dbraw/zinc/05/59/98/181055998.db2.gz GQCIYLLVYDSQOS-CYBMUJFWSA-N 0 0 208.264 2.931 10 30 BFEERN N#C[C@@H](Cc1ccc(O)cc1)c1cccc(O)c1 ZINC000027422884 181056055 /nfs/dbraw/zinc/05/60/55/181056055.db2.gz ZWUPEBRBQHJWTA-CYBMUJFWSA-N 0 0 239.274 2.948 10 30 BFEERN N#C[C@H](Cc1ccccc1)NC1CCCC1 ZINC000037968426 181063376 /nfs/dbraw/zinc/06/33/76/181063376.db2.gz IQHWGKZUCJOVIQ-AWEZNQCLSA-N 0 0 214.312 2.653 10 30 BFEERN N#C[C@H](N)c1ccc(SC(F)(F)F)cc1 ZINC000022176306 181064453 /nfs/dbraw/zinc/06/44/53/181064453.db2.gz GCRYPQGJURZRBT-QMMMGPOBSA-N 0 0 232.230 2.822 10 30 BFEERN N#C[C@H](N)c1ccc(-c2ccccc2)cc1 ZINC000022171306 181064864 /nfs/dbraw/zinc/06/48/64/181064864.db2.gz YHMQUVSPFWLEOX-AWEZNQCLSA-N 0 0 208.264 2.877 10 30 BFEERN N#C[C@H](NCC(F)(F)F)C1CCCCC1 ZINC000037970918 181065630 /nfs/dbraw/zinc/06/56/30/181065630.db2.gz OVSYJZKKMWIUMX-VIFPVBQESA-N 0 0 220.238 2.611 10 30 BFEERN N#C[C@H](NC1CCCCCC1)c1cccnc1 ZINC000019986164 181065872 /nfs/dbraw/zinc/06/58/72/181065872.db2.gz NXGULCDWZVSXJV-AWEZNQCLSA-N 0 0 229.327 2.959 10 30 BFEERN N#C[C@H](NC1CCCCC1)c1cccnc1 ZINC000019985857 181065930 /nfs/dbraw/zinc/06/59/30/181065930.db2.gz OCNCQZHRHZJWHE-ZDUSSCGKSA-N 0 0 215.300 2.569 10 30 BFEERN N#C[C@H](NCC(F)(F)F)c1ccc(F)cc1 ZINC000037971026 181066061 /nfs/dbraw/zinc/06/60/61/181066061.db2.gz XBUBPRBKBNUQGY-VIFPVBQESA-N 0 0 232.180 2.542 10 30 BFEERN N#C[C@H](NCc1cccs1)c1cccc(O)c1 ZINC000037939668 181066303 /nfs/dbraw/zinc/06/63/03/181066303.db2.gz HXIRBFLDZSPCJI-ZDUSSCGKSA-N 0 0 244.319 2.808 10 30 BFEERN N#C[C@@H](c1ccc(O)cc1)N1CCCCCC1 ZINC000057582497 181057815 /nfs/dbraw/zinc/05/78/15/181057815.db2.gz CHOBVTVWUKRRED-AWEZNQCLSA-N 0 0 230.311 2.833 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1NCc1ccc(F)cc1 ZINC000054824041 181058556 /nfs/dbraw/zinc/05/85/56/181058556.db2.gz SMXXKXDXYTWCJA-GXTWGEPZSA-N 0 0 232.302 2.998 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1cccs1 ZINC000054824868 181059921 /nfs/dbraw/zinc/05/99/21/181059921.db2.gz OQSYQWYDEPOKMF-ONGXEEELSA-N 0 0 206.314 2.530 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1Sc1nnc2ccccn21 ZINC000061406599 181059974 /nfs/dbraw/zinc/05/99/74/181059974.db2.gz URAZXYVQKMZDGB-UWVGGRQHSA-N 0 0 244.323 2.514 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)Nc1ccccc1 ZINC000061889330 181060112 /nfs/dbraw/zinc/06/01/12/181060112.db2.gz PHBIUSBTFWOIFB-JQWIXIFHSA-N 0 0 229.283 2.500 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(Cl)o1 ZINC000061891853 181060150 /nfs/dbraw/zinc/06/01/50/181060150.db2.gz JEBRMMUBEJZQJL-WPRPVWTQSA-N 0 0 224.691 2.715 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(F)c1 ZINC000054824656 181060163 /nfs/dbraw/zinc/06/01/63/181060163.db2.gz OSXQIJJGHJFTGB-AAEUAGOBSA-N 0 0 218.275 2.608 10 30 BFEERN N#C[C@@H]1COc2ccc(Br)cc2C1 ZINC000095932410 181061617 /nfs/dbraw/zinc/06/16/17/181061617.db2.gz KSIUJGZHDTVVQC-SSDOTTSWSA-N 0 0 238.084 2.524 10 30 BFEERN N#C[C@H](C=O)c1c(Cl)cccc1Cl ZINC000037354617 181062511 /nfs/dbraw/zinc/06/25/11/181062511.db2.gz QHULXVIVIURTLB-ZCFIWIBFSA-N 0 0 214.051 2.799 10 30 BFEERN N#Cc1c(Cl)cc(Br)cc1C=O ZINC000299890234 181073111 /nfs/dbraw/zinc/07/31/11/181073111.db2.gz WHWQUJBAEZDWKS-UHFFFAOYSA-N 0 0 244.475 2.787 10 30 BFEERN CC(C)[C@H](C#N)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000301023045 363334626 /nfs/dbraw/zinc/33/46/26/363334626.db2.gz QQMRIBOZNZPYKW-BDAKNGLRSA-N 0 0 215.243 2.787 10 30 BFEERN N#Cc1c(F)cccc1OCc1ccncc1 ZINC000062613574 181077134 /nfs/dbraw/zinc/07/71/34/181077134.db2.gz MYHQFKWRMRJYCT-UHFFFAOYSA-N 0 0 228.226 2.671 10 30 BFEERN N#Cc1c(F)cccc1Oc1ccnc(Cl)n1 ZINC000051849046 181077222 /nfs/dbraw/zinc/07/72/22/181077222.db2.gz XSHYOPQAILCWSV-UHFFFAOYSA-N 0 0 249.632 2.933 10 30 BFEERN N#Cc1cc(-c2ccccc2)c(O)cc1O ZINC000039119130 181081109 /nfs/dbraw/zinc/08/11/09/181081109.db2.gz WPTWITLAXPCMCO-UHFFFAOYSA-N 0 0 211.220 2.636 10 30 BFEERN N#Cc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000052859893 181086701 /nfs/dbraw/zinc/08/67/01/181086701.db2.gz QAHXODZQZVDSGX-VIFPVBQESA-N 0 0 237.686 2.627 10 30 BFEERN N#Cc1cc2cc(Br)ccc2cn1 ZINC000095935938 181094069 /nfs/dbraw/zinc/09/40/69/181094069.db2.gz QBOMHKQTYGDRHF-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN N#Cc1ccc(-c2ccc(O)c(F)c2)cc1O ZINC000065341368 181094754 /nfs/dbraw/zinc/09/47/54/181094754.db2.gz OMOYAJGEBRLVCO-UHFFFAOYSA-N 0 0 229.210 2.776 10 30 BFEERN N#Cc1ccc(-c2ccccc2C=O)cc1O ZINC000065341308 181095186 /nfs/dbraw/zinc/09/51/86/181095186.db2.gz ZWZUNSPWPHZIOH-UHFFFAOYSA-N 0 0 223.231 2.743 10 30 BFEERN N#Cc1ccc(-c2ccc(Cl)cn2)nc1 ZINC000072204250 181095390 /nfs/dbraw/zinc/09/53/90/181095390.db2.gz YTMFFXZLYFXKSG-UHFFFAOYSA-N 0 0 215.643 2.669 10 30 BFEERN N#Cc1cc(N)cnc1Oc1cccc(Cl)c1 ZINC000037759268 181090455 /nfs/dbraw/zinc/09/04/55/181090455.db2.gz YDUOINSBDIXKHA-UHFFFAOYSA-N 0 0 245.669 2.981 10 30 BFEERN N#Cc1cc(N)cnc1Nc1cc(F)cc(F)c1 ZINC000037759005 181090458 /nfs/dbraw/zinc/09/04/58/181090458.db2.gz TUPMTUFTOLXXQB-UHFFFAOYSA-N 0 0 246.220 2.557 10 30 BFEERN N#Cc1cc(Oc2cc(Cl)ccc2N)ccn1 ZINC000061812420 181092264 /nfs/dbraw/zinc/09/22/64/181092264.db2.gz LLIGDCZWNNYQOQ-UHFFFAOYSA-N 0 0 245.669 2.981 10 30 BFEERN N#Cc1ccc(COc2cccc(N)c2)c(F)c1 ZINC000019402143 181111165 /nfs/dbraw/zinc/11/11/65/181111165.db2.gz CTGZKCQNVOHQKI-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#Cc1ccc(COc2ccccc2N)cc1 ZINC000019264772 181111186 /nfs/dbraw/zinc/11/11/86/181111186.db2.gz FDEVMJULAFFULG-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN N#Cc1ccc(NC[C@H](O)c2cccs2)cc1 ZINC000037880552 181122541 /nfs/dbraw/zinc/12/25/41/181122541.db2.gz HMXVEKLQDLKRQG-LBPRGKRZSA-N 0 0 244.319 2.765 10 30 BFEERN N#Cc1ccc(F)c(COc2ccc(N)cc2)c1 ZINC000019270954 181113246 /nfs/dbraw/zinc/11/32/46/181113246.db2.gz NRSUAXNSMBVKMT-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#Cc1ccc(N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000054824097 181125746 /nfs/dbraw/zinc/12/57/46/181125746.db2.gz IRQFSFMSSVAJKQ-WCQYABFASA-N 0 0 211.268 2.662 10 30 BFEERN N#Cc1ccc(OCc2ccc(N)cc2)cc1 ZINC000022223540 181129043 /nfs/dbraw/zinc/12/90/43/181129043.db2.gz UBAIKDITJPMQDU-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN N#Cc1ccc2ccn(Cc3ccccn3)c2c1 ZINC000020534344 181133248 /nfs/dbraw/zinc/13/32/48/181133248.db2.gz IVWCWFBPCDYCHY-UHFFFAOYSA-N 0 0 233.274 2.956 10 30 BFEERN N#Cc1cccc(-c2cccc(C=O)c2O)c1F ZINC000065341878 181133758 /nfs/dbraw/zinc/13/37/58/181133758.db2.gz ZVACPVXNRMAPGC-UHFFFAOYSA-N 0 0 241.221 2.882 10 30 BFEERN N#Cc1cccc(-c2cnn(-c3ccccn3)c2)c1 ZINC000013582322 181133794 /nfs/dbraw/zinc/13/37/94/181133794.db2.gz WCEMBGUJGXXYCF-UHFFFAOYSA-N 0 0 246.273 2.806 10 30 in-vivo BFEERN N#Cc1ccc([C@@H](C#N)NC2CCCC2)cc1 ZINC000037968471 181129708 /nfs/dbraw/zinc/12/97/08/181129708.db2.gz BMSLFQPCCYUNNP-CQSZACIVSA-N 0 0 225.295 2.655 10 30 BFEERN N#Cc1ccc([C@H]2c3ccccc3C[C@@H]2O)cc1 ZINC000098178840 181131748 /nfs/dbraw/zinc/13/17/48/181131748.db2.gz NKKIXDDJZBFHJA-HOTGVXAUSA-N 0 0 235.286 2.607 10 30 BFEERN N#Cc1ccc2c(c1)O[C@](F)(Cl)C(F)(F)O2 ZINC000091252457 181132342 /nfs/dbraw/zinc/13/23/42/181132342.db2.gz KTCVZQPDMJUMSC-QMMMGPOBSA-N 0 0 249.575 2.784 10 30 BFEERN N#Cc1cccc(Cn2ncc3ccc(N)cc32)c1 ZINC000036867287 181139584 /nfs/dbraw/zinc/13/95/84/181139584.db2.gz SMSOFQIJOIHTHN-UHFFFAOYSA-N 0 0 248.289 2.538 10 30 BFEERN N#Cc1cccc(Nc2ncccc2C#N)c1 ZINC000019436431 181142595 /nfs/dbraw/zinc/14/25/95/181142595.db2.gz CCULVDSGGHAZEH-UHFFFAOYSA-N 0 0 220.235 2.569 10 30 BFEERN N#Cc1cccc(Oc2ccc(C#N)cc2N)c1 ZINC000035674977 181142759 /nfs/dbraw/zinc/14/27/59/181142759.db2.gz ZPMPAMBZTNNWCA-UHFFFAOYSA-N 0 0 235.246 2.804 10 30 BFEERN N#Cc1cccc(OCc2ccncc2)c1 ZINC000019436639 181142864 /nfs/dbraw/zinc/14/28/64/181142864.db2.gz VVHPOKYSCBEXPI-UHFFFAOYSA-N 0 0 210.236 2.532 10 30 BFEERN N#Cc1cccc(OCCc2ccc(N)cc2)c1 ZINC000035677366 181143086 /nfs/dbraw/zinc/14/30/86/181143086.db2.gz STOJOHRCEIJFJQ-UHFFFAOYSA-N 0 0 238.290 2.762 10 30 BFEERN N#Cc1cccc(Oc2nsnc2Cl)c1 ZINC000037981688 181143552 /nfs/dbraw/zinc/14/35/52/181143552.db2.gz JJEIQCHDADXAHE-UHFFFAOYSA-N 0 0 237.671 2.855 10 30 BFEERN N#Cc1ccccc1-c1ccc(/C=N/O)o1 ZINC000022124276 181144166 /nfs/dbraw/zinc/14/41/66/181144166.db2.gz OPQWQKNAVKECPH-RIYZIHGNSA-N 0 0 212.208 2.626 10 30 BFEERN N#Cc1ccccc1COCc1ccc(N)cc1 ZINC000019967311 181146890 /nfs/dbraw/zinc/14/68/90/181146890.db2.gz VDTCCYXRLHQCID-UHFFFAOYSA-N 0 0 238.290 2.857 10 30 BFEERN N#Cc1ccccc1NC(=O)c1ccc(O)cc1 ZINC000019504150 181148424 /nfs/dbraw/zinc/14/84/24/181148424.db2.gz GIAKQYVPBATRIS-UHFFFAOYSA-N 0 0 238.246 2.516 10 30 BFEERN N#Cc1ccccc1N[C@@H]1CCCSC1 ZINC000061571239 181148824 /nfs/dbraw/zinc/14/88/24/181148824.db2.gz PIWXGIINDBBLPV-LLVKDONJSA-N 0 0 218.325 2.866 10 30 BFEERN N#Cc1ccccc1NCc1cccc(O)c1 ZINC000019921800 181149214 /nfs/dbraw/zinc/14/92/14/181149214.db2.gz ZMFUNXUILGCDCG-UHFFFAOYSA-N 0 0 224.263 2.876 10 30 BFEERN N#Cc1ccccc1OCCCc1ccncc1 ZINC000034958540 181149286 /nfs/dbraw/zinc/14/92/86/181149286.db2.gz RYRUDTHFLIGQSR-UHFFFAOYSA-N 0 0 238.290 2.965 10 30 BFEERN N#Cc1ccccc1OCCc1ccccn1 ZINC000034958481 181149978 /nfs/dbraw/zinc/14/99/78/181149978.db2.gz URSSEBZXPQJDJP-UHFFFAOYSA-N 0 0 224.263 2.575 10 30 BFEERN N#Cc1cccnc1N1C[C@H]2CCCCC[C@@H]21 ZINC000365878249 181152387 /nfs/dbraw/zinc/15/23/87/181152387.db2.gz BPTSSBGDSJPQKM-OLZOCXBDSA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1cccnc1SC(F)(F)F ZINC000091252750 181153861 /nfs/dbraw/zinc/15/38/61/181153861.db2.gz NIBZRAZILAJJIA-UHFFFAOYSA-N 0 0 204.176 2.565 10 30 BFEERN N#Cc1cccnc1Oc1ccccc1F ZINC000019802553 181154301 /nfs/dbraw/zinc/15/43/01/181154301.db2.gz FIEPPKLHHMEMCI-UHFFFAOYSA-N 0 0 214.199 2.885 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1NCc1cccc(O)c1 ZINC000383683693 354890217 /nfs/dbraw/zinc/89/02/17/354890217.db2.gz CVUDHBIJDMTPTP-JSGCOSHPSA-N 0 0 230.311 2.564 10 30 BFEERN N#Cc1cnc(-c2ccc[nH]2)cc1Cl ZINC000077297669 181161709 /nfs/dbraw/zinc/16/17/09/181161709.db2.gz HSDBRBTZCVTSLA-UHFFFAOYSA-N 0 0 203.632 2.602 10 30 BFEERN N#Cc1conc1-c1ccc(Br)cc1 ZINC000000437098 181165611 /nfs/dbraw/zinc/16/56/11/181165611.db2.gz KREZFZHHTJKJGH-UHFFFAOYSA-N 0 0 249.067 2.976 10 30 BFEERN N#Cc1ncccc1COc1cccc(F)c1F ZINC000062614988 181170837 /nfs/dbraw/zinc/17/08/37/181170837.db2.gz PBJAORCKDNRSLK-UHFFFAOYSA-N 0 0 246.216 2.810 10 30 BFEERN N#Cc1nccc2cccc(Br)c21 ZINC000082766665 181170984 /nfs/dbraw/zinc/17/09/84/181170984.db2.gz ZNDGXHPYMBOWNF-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN N#Cc1sc(-c2ccc3c(c2)CCO3)cc1N ZINC000050892691 181178090 /nfs/dbraw/zinc/17/80/90/181178090.db2.gz XJPOEQRVLRPCQB-UHFFFAOYSA-N 0 0 242.303 2.804 10 30 BFEERN N/C(=N\O)c1ccc(Oc2ccccc2F)cc1 ZINC000019865960 181181244 /nfs/dbraw/zinc/18/12/44/181181244.db2.gz IDCBACXAASUQAO-UHFFFAOYSA-N 0 0 246.241 2.713 10 30 BFEERN N/C(=N\O)c1ccc(SC2CCCC2)cc1 ZINC000062829688 181181506 /nfs/dbraw/zinc/18/15/06/181181506.db2.gz XLCHUOMAXKWEHR-UHFFFAOYSA-N 0 0 236.340 2.816 10 30 BFEERN N/C(=N\O)c1ccc(N2CCCCCCC2)cc1 ZINC000020265969 181181795 /nfs/dbraw/zinc/18/17/95/181181795.db2.gz ABFLDUHDEITGHT-UHFFFAOYSA-N 0 0 247.342 2.552 10 30 BFEERN N/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21 ZINC000005955745 181185523 /nfs/dbraw/zinc/18/55/23/181185523.db2.gz LTYOJFOTFBGRPP-XOAFGZPJSA-N 0 0 238.290 2.873 10 30 BFEERN COc1ccc([C@H](C#N)C(C)=O)c(C)c1C ZINC000084484058 355374990 /nfs/dbraw/zinc/37/49/90/355374990.db2.gz YNWLQRPCEKWLLE-GFCCVEGCSA-N 0 0 217.268 2.508 10 30 BFEERN CC[C@H]1CCCN(C2=CC(=O)CC2)CC1 ZINC000160247080 355683296 /nfs/dbraw/zinc/68/32/96/355683296.db2.gz FXYRLLJTEGQOHV-NSHDSACASA-N 0 0 207.317 2.745 10 30 BFEERN C=C1CC(C(=O)OCc2ccccc2)C1 ZINC000091368709 191897726 /nfs/dbraw/zinc/89/77/26/191897726.db2.gz QZBNTQCNDOLTNQ-UHFFFAOYSA-N 0 0 202.253 2.696 10 30 BFEERN C=C[C@@](C)(CC[C@@H]1O[C@@]1(C)CC)OC(C)=O ZINC000031362357 191957238 /nfs/dbraw/zinc/95/72/38/191957238.db2.gz ZQIIAKHOIHRGSM-AVGNSLFASA-N 0 0 226.316 2.842 10 30 BFEERN O=C(NC1CCC2(CC2)CC1)[C@H]1CNC(=O)C1 ZINC000329903673 356141324 /nfs/dbraw/zinc/14/13/24/356141324.db2.gz INFVOWVMZDVNLG-SECBINFHSA-N 0 0 236.315 2.642 10 30 BFEERN Cc1cc(NCCC2CC2)c(C#N)c(C)n1 ZINC000087975132 356380770 /nfs/dbraw/zinc/38/07/70/356380770.db2.gz AEKLCTJZAJLFEJ-UHFFFAOYSA-N 0 0 215.300 2.782 10 30 BFEERN CCCCNc1cc(C)nc(C)c1C#N ZINC000087969398 356382298 /nfs/dbraw/zinc/38/22/98/356382298.db2.gz MIXDNWOVDNKJEB-UHFFFAOYSA-N 0 0 203.289 2.782 10 30 BFEERN Cc1cc(Br)cc(C#CC#N)c1 ZINC000161224963 363498452 /nfs/dbraw/zinc/49/84/52/363498452.db2.gz XYMLAWMNXHSGIY-UHFFFAOYSA-N 0 0 220.069 2.633 10 30 BFEERN CC1(C)CCCN(CC2(C#N)CCC2)[C@H]1C#N ZINC000336274856 134141787 /nfs/dbraw/zinc/14/17/87/134141787.db2.gz SIUMLZFSRDWPKA-LBPRGKRZSA-N 0 0 231.343 2.694 10 30 BFEERN COC(=O)[C@]1(C)O[C@@]12CCCC(C)(C)CC2 ZINC000085657790 538545251 /nfs/dbraw/zinc/54/52/51/538545251.db2.gz RCBSMLRWAGUZNG-QWHCGFSZSA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@@H]1O[C@@]12CCC[C@@H](C(C)C)CC2 ZINC000084324393 538530277 /nfs/dbraw/zinc/53/02/77/538530277.db2.gz DPGQQANHDRGWMN-NTZNESFSSA-N 0 0 226.316 2.533 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@]12CCC(C)(C)C2 ZINC000087770707 538569241 /nfs/dbraw/zinc/56/92/41/538569241.db2.gz URAWWXVXOLUCIV-STQMWFEESA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@]1(C)O[C@]12CCC(C)(C)C[C@@H]2C ZINC000222161119 538575089 /nfs/dbraw/zinc/57/50/89/538575089.db2.gz MXXNZAXEDWZMMW-XDTLVQLUSA-N 0 0 226.316 2.533 10 30 BFEERN CC[C@@H]1CCC[C@@]2(CC1)O[C@@]2(C)C(=O)OC ZINC000227198943 538616966 /nfs/dbraw/zinc/61/69/66/538616966.db2.gz SSRQMSYERMNYPE-WXHSDQCUSA-N 0 0 226.316 2.677 10 30 BFEERN SCc1cc(Br)cc2c1OCC2 ZINC000160452232 356981860 /nfs/dbraw/zinc/98/18/60/356981860.db2.gz VJOIRQRZAHFJIR-UHFFFAOYSA-N 0 0 245.141 2.814 10 30 BFEERN COc1cccc(CC#N)c1OC(F)(F)F ZINC000380480374 357191629 /nfs/dbraw/zinc/19/16/29/357191629.db2.gz RYKFFIHVKDQSHE-UHFFFAOYSA-N 0 0 231.173 2.660 10 30 BFEERN C#CC(=O)c1cccc(Br)c1C ZINC000168760450 357220134 /nfs/dbraw/zinc/22/01/34/357220134.db2.gz FWDXQZOGKLTORM-UHFFFAOYSA-N 0 0 223.069 2.573 10 30 BFEERN CC(C)(C)OC(=O)Nc1ccc(C#N)cc1O ZINC000137728457 357254526 /nfs/dbraw/zinc/25/45/26/357254526.db2.gz BUIJMVBXWLTDMO-UHFFFAOYSA-N 0 0 234.255 2.611 10 30 BFEERN C=C(Br)C[C@@H](C#N)c1cccnc1 ZINC000015042662 357338245 /nfs/dbraw/zinc/33/82/45/357338245.db2.gz YXBBAPOCHWTZHH-JTQLQIEISA-N 0 0 237.100 2.987 10 30 BFEERN N#CCCCC(=O)NC1C2CC3CC(C2)CC1C3 ZINC000361465504 134205421 /nfs/dbraw/zinc/20/54/21/134205421.db2.gz VUSCGFXBGKXIOK-UHFFFAOYSA-N 0 0 246.354 2.621 10 30 BFEERN Cc1cnc([C@@H](C)NCCC(C)(C)C#N)o1 ZINC000230647900 357544459 /nfs/dbraw/zinc/54/44/59/357544459.db2.gz VQSFPMGQMVBFLB-SNVBAGLBSA-N 0 0 221.304 2.574 10 30 BFEERN C#CCCCC(=O)N1CCC[C@@H]1c1ccco1 ZINC000192320994 357829631 /nfs/dbraw/zinc/82/96/31/357829631.db2.gz CSTOLESVJMIEJA-GFCCVEGCSA-N 0 0 231.295 2.747 10 30 BFEERN C[C@@H](C#N)N1CCC(c2ccccc2)CC1 ZINC000193210772 357870763 /nfs/dbraw/zinc/87/07/63/357870763.db2.gz XANSQBLVFJEFTJ-LBPRGKRZSA-N 0 0 214.312 2.778 10 30 BFEERN N#Cc1ccc(-c2nc([C@H]3CC34CC4)no2)s1 ZINC000351281747 358170005 /nfs/dbraw/zinc/17/00/05/358170005.db2.gz LTCDGCODYIJJQC-MRVPVSSYSA-N 0 0 243.291 2.937 10 30 BFEERN N#Cc1ccc(-c2nc([C@H]3CC34CC4)no2)cc1 ZINC000351285569 358170410 /nfs/dbraw/zinc/17/04/10/358170410.db2.gz OLFJPLJFEWLNDC-LLVKDONJSA-N 0 0 237.262 2.876 10 30 BFEERN CCCCCCC[C@H](/C=C\CO)OC ZINC000584612015 358275764 /nfs/dbraw/zinc/27/57/64/358275764.db2.gz YWHZJCVGCHJJAE-VPUINMBXSA-N 0 0 200.322 2.910 10 30 BFEERN C=CC[C@H](OC)c1ccccc1[N+](=O)[O-] ZINC000584612750 358276359 /nfs/dbraw/zinc/27/63/59/358276359.db2.gz JAUPBRFSVUDMEX-NSHDSACASA-N 0 0 207.229 2.858 10 30 BFEERN COc1ccc(C#CC(F)(F)F)c(C)c1 ZINC000584613652 358278079 /nfs/dbraw/zinc/27/80/79/358278079.db2.gz VDTMZXVUNWNISD-UHFFFAOYSA-N 0 0 214.186 2.917 10 30 BFEERN COc1cccc([C@](C)(CCC#N)C(C)=O)c1 ZINC000584594612 358251986 /nfs/dbraw/zinc/25/19/86/358251986.db2.gz NNOZERQJLHLRHK-CQSZACIVSA-N 0 0 231.295 2.846 10 30 BFEERN C#Cc1cc(Cl)c(OC)c(Cl)c1 ZINC000584615274 358279913 /nfs/dbraw/zinc/27/99/13/358279913.db2.gz VGXYSGREWASMJT-UHFFFAOYSA-N 0 0 201.052 2.983 10 30 BFEERN COC(=O)c1ccc([C@H](C)CCC=O)cc1 ZINC000584597789 358255290 /nfs/dbraw/zinc/25/52/90/358255290.db2.gz LNXMVRCYAAZFIJ-SNVBAGLBSA-N 0 0 220.268 2.556 10 30 BFEERN C#C[C@@](O)(c1ccc(Cl)cc1)C1(C#N)CCC1 ZINC000584600636 358257077 /nfs/dbraw/zinc/25/70/77/358257077.db2.gz UVUIXAJCSRHACO-CQSZACIVSA-N 0 0 245.709 2.855 10 30 BFEERN C#C[C@](O)(c1ccc(Cl)cc1)C1(C#N)CCC1 ZINC000584600635 358257098 /nfs/dbraw/zinc/25/70/98/358257098.db2.gz UVUIXAJCSRHACO-AWEZNQCLSA-N 0 0 245.709 2.855 10 30 BFEERN C#C[C@@](O)(c1cccc(C)c1)C1(C#N)CCC1 ZINC000584600591 358257110 /nfs/dbraw/zinc/25/71/10/358257110.db2.gz RLGIYNJNYYBELK-OAHLLOKOSA-N 0 0 225.291 2.510 10 30 BFEERN COc1cccc([C@]2(CC=O)CCCCC2=O)c1 ZINC000584600722 358257636 /nfs/dbraw/zinc/25/76/36/358257636.db2.gz ZLIMBYDGZDXJKN-OAHLLOKOSA-N 0 0 246.306 2.665 10 30 BFEERN CC(=NC#N)N[C@@H](C)c1cc(C)ccc1C ZINC000584601629 358258883 /nfs/dbraw/zinc/25/88/83/358258883.db2.gz FPXYUGWTYKGANF-NSHDSACASA-N 0 0 215.300 2.854 10 30 BFEERN COc1ccc(CC[C@H](C)N=C(C)NC#N)cc1 ZINC000584601888 358259593 /nfs/dbraw/zinc/25/95/93/358259593.db2.gz QTNRERJCJBNPOK-NSHDSACASA-N 0 0 245.326 2.505 10 30 BFEERN C#C[C@](OC)(c1cccc(C)c1)C1(C#N)CC1 ZINC000584603301 358262038 /nfs/dbraw/zinc/26/20/38/358262038.db2.gz QQENBYGUDZTUJE-HNNXBMFYSA-N 0 0 225.291 2.774 10 30 BFEERN C#C[C@H](OC(C)=O)c1ccc(C(F)(F)F)cc1 ZINC000584615697 358280382 /nfs/dbraw/zinc/28/03/82/358280382.db2.gz HQFKWLGHGZBXJL-NSHDSACASA-N 0 0 242.196 2.943 10 30 BFEERN C=C(C(=O)OC)[C@@H](F)c1cccc(C)c1 ZINC000584606753 358266387 /nfs/dbraw/zinc/26/63/87/358266387.db2.gz NALCGSTUUCZNSS-LLVKDONJSA-N 0 0 208.232 2.735 10 30 BFEERN CCCCC(=CC(=O)C([N+]#N)=C([O-])OC)OC ZINC000584606905 358266595 /nfs/dbraw/zinc/26/65/95/358266595.db2.gz OIUHJVFJILZLTD-BQYQJAHWSA-O 0 0 241.267 2.503 10 30 BFEERN C[C@@H](C=O)[C@H](C[N+](=O)[O-])c1cccc(Cl)c1 ZINC000584608143 358268522 /nfs/dbraw/zinc/26/85/22/358268522.db2.gz XWJXAXBUJMSVSR-KWQFWETISA-N 0 0 241.674 2.535 10 30 BFEERN CC#CCCN=[S@](C)(=O)c1ccccc1 ZINC000584608459 358269333 /nfs/dbraw/zinc/26/93/33/358269333.db2.gz UCLKMPFKKPZQIZ-OAHLLOKOSA-N 0 0 221.325 2.557 10 30 BFEERN CC(=O)O/N=C(\C)c1ccc(C(F)(F)F)cc1 ZINC000584609250 358270484 /nfs/dbraw/zinc/27/04/84/358270484.db2.gz CJVMZDYLMAPZSD-VIZOYTHASA-N 0 0 245.200 2.993 10 30 BFEERN CCCCCCC[C@H](/C=C/CO)OC ZINC000584610195 358272407 /nfs/dbraw/zinc/27/24/07/358272407.db2.gz YWHZJCVGCHJJAE-ZJNQMXKESA-N 0 0 200.322 2.910 10 30 BFEERN COc1cc(C#C/C=C\Cl)cc(OC)c1 ZINC000584611003 358274331 /nfs/dbraw/zinc/27/43/31/358274331.db2.gz JSDQYMXFXMNHEF-XQRVVYSFSA-N 0 0 222.671 2.808 10 30 BFEERN CCCC[C@H]1Cc2ccccc2N(O)C1=O ZINC000584622016 358290139 /nfs/dbraw/zinc/29/01/39/358290139.db2.gz KSAMTKWWZYHHFW-NSHDSACASA-N 0 0 219.284 2.771 10 30 BFEERN O=C1C=C2CC[C@H]([C@@H]3CC[C@@H](O)C3)C[C@@H]2CC1 ZINC000584622834 358290843 /nfs/dbraw/zinc/29/08/43/358290843.db2.gz NYMYGWPWODIOAR-HTTKSJEASA-N 0 0 234.339 2.853 10 30 BFEERN CC(=O)O/N=C/c1c(Cl)cccc1Cl ZINC000584623865 358291953 /nfs/dbraw/zinc/29/19/53/358291953.db2.gz XMNDQSMRIMRKKX-LFYBBSHMSA-N 0 0 232.066 2.890 10 30 BFEERN C/C(=N\N=C(/C)C(F)(F)F)C(F)(F)F ZINC000584627951 358297415 /nfs/dbraw/zinc/29/74/15/358297415.db2.gz YTPBMMOXKOXJHC-NPJRDEIVSA-N 0 0 220.116 2.948 10 30 BFEERN CCCC(=C(NC)C(C)(C)C)[N+](=O)[O-] ZINC000584656838 358308476 /nfs/dbraw/zinc/30/84/76/358308476.db2.gz IRDFMOBOIHVEPM-IDTVXWRCSA-N 0 0 200.282 2.549 10 30 BFEERN Cc1cc(C)c(O)c2c1CC(C)(C)/C2=N\O ZINC000584618263 358284444 /nfs/dbraw/zinc/28/44/44/358284444.db2.gz RCOWRYFNRLBVSU-OWBHPGMISA-N 0 0 219.284 2.770 10 30 BFEERN COc1cc2c(c(OC)c1OC)CC[C@H]2CC#N ZINC000584618627 358284998 /nfs/dbraw/zinc/28/49/98/358284998.db2.gz SZKSUNQJEVRIGJ-VIFPVBQESA-N 0 0 247.294 2.656 10 30 BFEERN CN(C)/C=C1\C(=O)CC[C@H]1c1ccc(F)cc1 ZINC000584644564 358329071 /nfs/dbraw/zinc/32/90/71/358329071.db2.gz CCEZDQFNAKQHBH-VWLVURMCSA-N 0 0 233.286 2.718 10 30 BFEERN C#C[C@](C)(O)CCC[C@](C)(CCC)OC ZINC000584647346 358332281 /nfs/dbraw/zinc/33/22/81/358332281.db2.gz OWRCHAAWYKXSAU-STQMWFEESA-N 0 0 212.333 2.746 10 30 BFEERN C#C[C@@](C)(O)CCC[C@](C)(CCC)OC ZINC000584647341 358332321 /nfs/dbraw/zinc/33/23/21/358332321.db2.gz OWRCHAAWYKXSAU-OLZOCXBDSA-N 0 0 212.333 2.746 10 30 BFEERN C=C(Br)[C@H]1CN=C(CCCC)O1 ZINC000584637057 358322293 /nfs/dbraw/zinc/32/22/93/358322293.db2.gz ORZDFMAEJDVARC-MRVPVSSYSA-N 0 0 232.121 2.883 10 30 BFEERN CCCCCN(O)C(=O)c1ccccc1 ZINC000230569093 358417635 /nfs/dbraw/zinc/41/76/35/358417635.db2.gz DOOKJYDVDIRRSE-UHFFFAOYSA-N 0 0 207.273 2.708 10 30 BFEERN CC(=O)c1cc(C#N)cc(OC(F)(F)F)c1 ZINC000224086813 358432543 /nfs/dbraw/zinc/43/25/43/358432543.db2.gz MMXNRGDVLULHKR-UHFFFAOYSA-N 0 0 229.157 2.659 10 30 BFEERN Cc1nc(Cl)nc(Cl)c1CCS ZINC000306199311 359027334 /nfs/dbraw/zinc/02/73/34/359027334.db2.gz ZRTUWNYXLXEZFC-UHFFFAOYSA-N 0 0 223.128 2.564 10 30 BFEERN CC#CCCC(=O)c1cc(F)cc(F)c1 ZINC000160908157 359005426 /nfs/dbraw/zinc/00/54/26/359005426.db2.gz AIBMVECJOJOLGN-UHFFFAOYSA-N 0 0 208.207 2.951 10 30 BFEERN C=CCCC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000246744619 359161123 /nfs/dbraw/zinc/16/11/23/359161123.db2.gz RFRMDIMTZMUTDO-CHWSQXEVSA-N 0 0 209.333 2.596 10 30 BFEERN Cc1ccsc1[C@H]1CCC[C@@H](C=O)O1 ZINC000306201082 359290337 /nfs/dbraw/zinc/29/03/37/359290337.db2.gz KHRYHYVRRFBLMV-VHSXEESVSA-N 0 0 210.298 2.866 10 30 BFEERN N#CC1(c2cccs2)CCC2(CC1)OCCO2 ZINC000080170612 359347742 /nfs/dbraw/zinc/34/77/42/359347742.db2.gz ZYSLMLVZXZLRMH-UHFFFAOYSA-N 0 0 249.335 2.827 10 30 BFEERN C/C(=N\O)c1ccc(Br)cc1C ZINC000306235116 359393035 /nfs/dbraw/zinc/39/30/35/359393035.db2.gz ABIROWZNMFZOEW-YRNVUSSQSA-N 0 0 228.089 2.956 10 30 BFEERN C#CCNc1c(Br)cccc1OC ZINC000306288632 359522767 /nfs/dbraw/zinc/52/27/67/359522767.db2.gz MWLMSJSGCNGQMQ-UHFFFAOYSA-N 0 0 240.100 2.503 10 30 BFEERN C=CCSc1cnc(Br)cn1 ZINC000306290688 359527733 /nfs/dbraw/zinc/52/77/33/359527733.db2.gz PZFNLQYWJOFNPO-UHFFFAOYSA-N 0 0 231.118 2.517 10 30 BFEERN CC(C)[C@H](C)C(=O)C#Cc1ccccc1 ZINC000306326880 359608947 /nfs/dbraw/zinc/60/89/47/359608947.db2.gz XGQCWUCROAYSAJ-LBPRGKRZSA-N 0 0 200.281 2.899 10 30 BFEERN CCCCCOc1ccc(O)c(C#N)c1C#N ZINC000202628474 359647685 /nfs/dbraw/zinc/64/76/85/359647685.db2.gz SJSJFFGLDGAYIC-UHFFFAOYSA-N 0 0 230.267 2.705 10 30 BFEERN C/[N+](O)=C\c1ccccc1OCc1ccccc1 ZINC000138032134 359656824 /nfs/dbraw/zinc/65/68/24/359656824.db2.gz MVOQVXYKSSBEAF-LFIBNONCSA-N 0 0 242.298 2.716 10 30 BFEERN C=C(C)C(=O)c1ccc(Br)o1 ZINC000169175692 359671568 /nfs/dbraw/zinc/67/15/68/359671568.db2.gz TZBRFTBBPHSXLR-UHFFFAOYSA-N 0 0 215.046 2.801 10 30 BFEERN Cc1nc(Cl)nc(Cl)c1CCC#N ZINC000306378638 359718052 /nfs/dbraw/zinc/71/80/52/359718052.db2.gz SWSMPQJHPJKSOG-UHFFFAOYSA-N 0 0 216.071 2.548 10 30 BFEERN CCN[C@@H](C#N)c1csc(Br)c1 ZINC000306453288 360045391 /nfs/dbraw/zinc/04/53/91/360045391.db2.gz XJPVJRSZKRNBIC-ZETCQYMHSA-N 0 0 245.145 2.685 10 30 BFEERN O=C(c1ccc(Cl)s1)C1=COCC1 ZINC000306475044 360113734 /nfs/dbraw/zinc/11/37/34/360113734.db2.gz GWOGBOUGNXAAFH-UHFFFAOYSA-N 0 0 214.673 2.888 10 30 BFEERN C#C[C@@](C)(CC)Oc1cccc(Cl)n1 ZINC000306508094 360317233 /nfs/dbraw/zinc/31/72/33/360317233.db2.gz ANEJGSIZDJJABR-NSHDSACASA-N 0 0 209.676 2.916 10 30 BFEERN Cc1cnc(N[C@H]2CC[C@@H](C#N)C2)s1 ZINC000306532074 360390740 /nfs/dbraw/zinc/39/07/40/360390740.db2.gz GJEXOWNXDAQMKN-BDAKNGLRSA-N 0 0 207.302 2.556 10 30 BFEERN C=C(Cl)CNc1nc(C)cc(CC)n1 ZINC000306545828 360414183 /nfs/dbraw/zinc/41/41/83/360414183.db2.gz AZQBAKBICCLXGK-UHFFFAOYSA-N 0 0 211.696 2.512 10 30 BFEERN CC(C)(C)[C@H](C#N)Cn1cc(Cl)cn1 ZINC000306589437 360494516 /nfs/dbraw/zinc/49/45/16/360494516.db2.gz WXDYEWPVBBIJLH-MRVPVSSYSA-N 0 0 211.696 2.722 10 30 BFEERN C#C[C@H](Nc1ccc(Cl)cn1)C(C)C ZINC000300836344 360532495 /nfs/dbraw/zinc/53/24/95/360532495.db2.gz CPFGNEIFLVKRKM-JTQLQIEISA-N 0 0 208.692 2.805 10 30 BFEERN CC[C@@H](C#N)N1CCC[C@H](SC)CC1 ZINC000300804596 360512623 /nfs/dbraw/zinc/51/26/23/360512623.db2.gz GBISNICEHJCCIZ-QWRGUYRKSA-N 0 0 212.362 2.506 10 30 BFEERN N#C[C@H](CCC1CC1)NCc1ccccc1 ZINC000306595350 360516444 /nfs/dbraw/zinc/51/64/44/360516444.db2.gz KQNYASWLACEKMO-AWEZNQCLSA-N 0 0 214.312 2.859 10 30 BFEERN CC(=O)c1cc(C#N)ccc1C(F)(F)F ZINC000238128399 360596086 /nfs/dbraw/zinc/59/60/86/360596086.db2.gz SUCUAXHGTLDAKF-UHFFFAOYSA-N 0 0 213.158 2.780 10 30 BFEERN CSc1ccc([C@@H]2CC(=O)C=CO2)cc1 ZINC000069850396 360702082 /nfs/dbraw/zinc/70/20/82/360702082.db2.gz PXCDIBWZDJUNBL-LBPRGKRZSA-N 0 0 220.293 2.953 10 30 BFEERN Cc1ccc(C#N)c([N+](=O)[O-])c1Br ZINC000306611293 360793370 /nfs/dbraw/zinc/79/33/70/360793370.db2.gz GAJDTQGGFOPHEQ-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN Cc1ccc(CC#N)cc1OC(F)(F)F ZINC000238463696 361086633 /nfs/dbraw/zinc/08/66/33/361086633.db2.gz UBAWVQHVQLNZOJ-UHFFFAOYSA-N 0 0 215.174 2.960 10 30 BFEERN Cc1nc2ccc(C#N)cc2nc1Br ZINC000238499463 361128422 /nfs/dbraw/zinc/12/84/22/361128422.db2.gz JWAHVQHJYSFRGM-UHFFFAOYSA-N 0 0 248.083 2.572 10 30 BFEERN N#Cc1cc(Cl)cc(OC(F)(F)F)n1 ZINC000238529792 361140067 /nfs/dbraw/zinc/14/00/67/361140067.db2.gz FGAKOLYLSRQGDL-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN Cc1cc(C(=O)[C@H](C#N)C(C)C)c(C)o1 ZINC000041045654 361182708 /nfs/dbraw/zinc/18/27/08/361182708.db2.gz WDLSHKGAZGGVQN-LLVKDONJSA-N 0 0 205.257 2.875 10 30 BFEERN N#Cc1nccc(C(F)F)c1OC(F)(F)F ZINC000381574543 361488515 /nfs/dbraw/zinc/48/85/15/361488515.db2.gz XVECFIWHXNEQST-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN CC1(C)C[C@](C#N)(NCc2ccccc2)CCO1 ZINC000070367194 361511016 /nfs/dbraw/zinc/51/10/16/361511016.db2.gz XMDUZWCSHXJLGW-OAHLLOKOSA-N 0 0 244.338 2.628 10 30 BFEERN CC[C@H](C#N)Sc1cc(N)cc(F)c1 ZINC000070589024 361578756 /nfs/dbraw/zinc/57/87/56/361578756.db2.gz SPOAQQCLCMBJHR-SECBINFHSA-N 0 0 210.277 2.802 10 30 BFEERN CCOc1ccc(C(F)(F)F)cc1C#N ZINC000036926949 361579361 /nfs/dbraw/zinc/57/93/61/361579361.db2.gz AYVDSQIIEWKQNV-UHFFFAOYSA-N 0 0 215.174 2.976 10 30 BFEERN C[C@H](C#N)Oc1ccc(C#N)cc1Cl ZINC000007857013 364556590 /nfs/dbraw/zinc/55/65/90/364556590.db2.gz JVNHCIMRPGOGHC-SSDOTTSWSA-N 0 0 206.632 2.503 10 30 BFEERN Cc1cccc(CN[C@@H]2CCC[C@H]2C#N)c1F ZINC000335626551 365295014 /nfs/dbraw/zinc/29/50/14/365295014.db2.gz SQFDNDVBMCHESQ-WCQYABFASA-N 0 0 232.302 2.916 10 30 BFEERN CCC[C@@]1(CC)O[C@@]1(C(=O)OC)C(C)C ZINC000233317974 541508349 /nfs/dbraw/zinc/50/83/49/541508349.db2.gz QFPZEUBFWIHIFT-VXGBXAGGSA-N 0 0 214.305 2.533 10 30 BFEERN C#C[C@@H]1CCCCN(C(=O)OC(C)(C)C)C1 ZINC000226066026 368417354 /nfs/dbraw/zinc/41/73/54/368417354.db2.gz LPRJMEKYEATMBZ-LLVKDONJSA-N 0 0 223.316 2.657 10 30 BFEERN C=C[C@@H](C)OP(=O)(OCC)OCC ZINC000136012518 368980265 /nfs/dbraw/zinc/98/02/65/368980265.db2.gz IREHQXISXWSCNJ-MRVPVSSYSA-N 0 0 208.194 2.759 10 30 BFEERN FC(F)(F)Oc1ccc(COC[C@H]2CO2)cc1 ZINC000115612783 369002743 /nfs/dbraw/zinc/00/27/43/369002743.db2.gz VGDJZJCLOATKJK-JTQLQIEISA-N 0 0 248.200 2.501 10 30 BFEERN N#Cc1ccc(-n2cc(-c3ccccc3)cn2)nc1 ZINC000054961352 369088718 /nfs/dbraw/zinc/08/87/18/369088718.db2.gz PIJVTFNRAMMFBB-UHFFFAOYSA-N 0 0 246.273 2.806 10 30 BFEERN COc1ccc2cc([C@@H]3CO3)ccc2c1 ZINC000055027022 369120840 /nfs/dbraw/zinc/12/08/40/369120840.db2.gz NSWWSVZPTCPVIA-ZDUSSCGKSA-N 0 0 200.237 2.920 10 30 BFEERN N#Cc1cc(C2CCCC2)nc(C2CC2)n1 ZINC000409436935 369976876 /nfs/dbraw/zinc/97/68/76/369976876.db2.gz AJWQAJDQDUCZFJ-UHFFFAOYSA-N 0 0 213.284 2.883 10 30 BFEERN N#Cc1ccc(Cn2cnc3cc(N)ccc32)cc1 ZINC000008699376 370355677 /nfs/dbraw/zinc/35/56/77/370355677.db2.gz OURJQVXBXTZOPO-UHFFFAOYSA-N 0 0 248.289 2.538 10 30 BFEERN N#Cc1cc(OCc2ccccc2)ccc1N ZINC000114261026 370549712 /nfs/dbraw/zinc/54/97/12/370549712.db2.gz MYRYYOSOPJHSKX-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN Nc1cccc(C#C/C=C/c2cccc(N)c2)c1 ZINC000002489477 181740085 /nfs/dbraw/zinc/74/00/85/181740085.db2.gz PXRANGAHBYKLGM-ORCRQEGFSA-N 0 0 234.302 2.916 10 30 BFEERN C=C(C)CN(CC)C(=O)N[C@@H](C)C(C)C ZINC000125940545 371454321 /nfs/dbraw/zinc/45/43/21/371454321.db2.gz APHNOBJJLGEVTK-NSHDSACASA-N 0 0 212.337 2.639 10 30 BFEERN N#Cc1cccc(OCc2ccccc2)c1N ZINC000131094235 371556438 /nfs/dbraw/zinc/55/64/38/371556438.db2.gz ZPFDQDPMAWZKDB-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN C=CCN(C)c1ccc(C#N)c(Cl)c1 ZINC000131360754 371596357 /nfs/dbraw/zinc/59/63/57/371596357.db2.gz QUBZICQXWVVVDY-UHFFFAOYSA-N 0 0 206.676 2.834 10 30 BFEERN C=CCCn1c(=S)[nH]c2ccccc21 ZINC000162032939 371604399 /nfs/dbraw/zinc/60/43/99/371604399.db2.gz QFQQEMGLIHASQB-UHFFFAOYSA-N 0 0 204.298 2.901 10 30 BFEERN CC(C)(C)C(=O)Nc1sccc1C#N ZINC000002692892 371632585 /nfs/dbraw/zinc/63/25/85/371632585.db2.gz DVASUGKHYJUVBT-UHFFFAOYSA-N 0 0 208.286 2.604 10 30 BFEERN N#Cc1c(N)c(Cl)ccc1C(F)F ZINC000131879376 371702763 /nfs/dbraw/zinc/70/27/63/371702763.db2.gz NIMLMFCZVJBFEG-UHFFFAOYSA-N 0 0 202.591 2.731 10 30 BFEERN Cc1cc(O)cc(CC#N)c1Br ZINC000216413019 371751491 /nfs/dbraw/zinc/75/14/91/371751491.db2.gz PAHIGTPNNHWODU-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN N#Cc1cc(F)cc(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000602725934 371834361 /nfs/dbraw/zinc/83/43/61/371834361.db2.gz RPETZCIVUWDFKZ-KGLIPLIRSA-N 0 0 246.285 2.677 10 30 BFEERN C[C@@H](C=O)Cc1cccc(Br)c1F ZINC000230278536 371882036 /nfs/dbraw/zinc/88/20/36/371882036.db2.gz AGCVKWAKKMHLHJ-SSDOTTSWSA-N 0 0 245.091 2.966 10 30 BFEERN CC(C)=CC(=O)c1ncccc1Br ZINC000133048750 371978307 /nfs/dbraw/zinc/97/83/07/371978307.db2.gz AFQIVDUHGCTDFM-UHFFFAOYSA-N 0 0 240.100 2.993 10 30 BFEERN C=C(C)CC(=O)[C@H]1SCCS[C@H]1C ZINC000228078977 371985912 /nfs/dbraw/zinc/98/59/12/371985912.db2.gz AVDCBCXLCWXQCR-WPRPVWTQSA-N 0 0 216.371 2.759 10 30 BFEERN C=CC(=O)c1ccccc1OC(F)(F)F ZINC000217393732 371947241 /nfs/dbraw/zinc/94/72/41/371947241.db2.gz RJYITORFFSSDCB-UHFFFAOYSA-N 0 0 216.158 2.954 10 30 BFEERN C#C[C@@H](O)c1ccc(Cl)cc1Br ZINC000133427344 372047346 /nfs/dbraw/zinc/04/73/46/372047346.db2.gz JCWGAZJNPIDGGI-SECBINFHSA-N 0 0 245.503 2.769 10 30 BFEERN Cc1c(C#N)c(Br)ccc1[N+](=O)[O-] ZINC000306720458 372059571 /nfs/dbraw/zinc/05/95/71/372059571.db2.gz NJSFQKUHBYBZQO-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN Cc1c(Cl)ccc(CC#N)c1[N+](=O)[O-] ZINC000307416303 372118821 /nfs/dbraw/zinc/11/88/21/372118821.db2.gz YQLSCFXJDWLPRI-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN Cc1cc(C#N)c(N)c(Cl)c1Cl ZINC000133527446 372068721 /nfs/dbraw/zinc/06/87/21/372068721.db2.gz KCJPIPSNUKBIQR-UHFFFAOYSA-N 0 0 201.056 2.756 10 30 BFEERN C#CC[C@@H](C)Nc1cc(Cl)nnc1Cl ZINC000228990457 372100554 /nfs/dbraw/zinc/10/05/54/372100554.db2.gz ZGANYEZJHPFYRS-ZCFIWIBFSA-N 0 0 230.098 2.607 10 30 BFEERN C=C(C)C(=O)[C@H]1CCCc2cccnc21 ZINC000232577762 372147202 /nfs/dbraw/zinc/14/72/02/372147202.db2.gz ZPMZXPLKBGFHKD-NSHDSACASA-N 0 0 201.269 2.647 10 30 BFEERN CCc1ccc(C(=O)C2=COCCC2)o1 ZINC000229512279 372159976 /nfs/dbraw/zinc/15/99/76/372159976.db2.gz IFNJLLAJJLODOM-UHFFFAOYSA-N 0 0 206.241 2.719 10 30 BFEERN C[C@H](S)C(=O)OC1CCCCCC1 ZINC000059391787 372177765 /nfs/dbraw/zinc/17/77/65/372177765.db2.gz RQWYDXSRRXYLOM-QMMMGPOBSA-N 0 0 202.319 2.571 10 30 BFEERN C=C[C@H](C)Nc1cc(F)cc([N+](=O)[O-])c1 ZINC000229244209 372131686 /nfs/dbraw/zinc/13/16/86/372131686.db2.gz QZVUIMIXSDVECB-ZETCQYMHSA-N 0 0 210.208 2.720 10 30 BFEERN N#Cc1ccc(Br)c2ncccc12 ZINC000140101471 372482631 /nfs/dbraw/zinc/48/26/31/372482631.db2.gz AKXRRWSXYCJIHR-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN C=C(C)n1c2ccccc2n(C(C)C)c1=O ZINC000039270836 372924456 /nfs/dbraw/zinc/92/44/56/372924456.db2.gz SXQCACUXKLXQLN-UHFFFAOYSA-N 0 0 216.284 2.875 10 30 BFEERN N#Cc1ccnc(Sc2nccs2)c1 ZINC000040676761 373587084 /nfs/dbraw/zinc/58/70/84/373587084.db2.gz GYLSLNSWPAQTOX-UHFFFAOYSA-N 0 0 219.294 2.561 10 30 BFEERN Cc1ccc([C@H]2CC(=O)C=CO2)c(C)c1 ZINC000069850332 373877194 /nfs/dbraw/zinc/87/71/94/373877194.db2.gz COKKSTAHDMQGET-CYBMUJFWSA-N 0 0 202.253 2.848 10 30 BFEERN N#Cc1ccnc(OC(F)(F)F)c1C(F)F ZINC000381227171 374051262 /nfs/dbraw/zinc/05/12/62/374051262.db2.gz ITDLGFGEEXPRCB-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN Cc1cc(N)ccc1C(=O)C1=CCCC1 ZINC000070671455 374171928 /nfs/dbraw/zinc/17/19/28/374171928.db2.gz WBOQFUHNDAJJJZ-UHFFFAOYSA-N 0 0 201.269 2.870 10 30 BFEERN O=CCCCc1cccc(Br)c1 ZINC000070739011 182850485 /nfs/dbraw/zinc/85/04/85/182850485.db2.gz BMZJFWNKZLORHA-UHFFFAOYSA-N 0 0 227.101 2.971 10 30 BFEERN CCCCOc1ccc(C#N)cc1[N+](=O)[O-] ZINC000057880977 168917249 /nfs/dbraw/zinc/91/72/49/168917249.db2.gz UUKXZBPVWFIYBP-UHFFFAOYSA-N 0 0 220.228 2.645 10 30 BFEERN O=[N+]([O-])c1cccc(C#CC(F)(F)F)c1 ZINC000095831228 182944084 /nfs/dbraw/zinc/94/40/84/182944084.db2.gz RVNSRMMWULUNLW-UHFFFAOYSA-N 0 0 215.130 2.509 10 30 BFEERN OCC#Cc1ccc(OC2CCCCC2)cc1 ZINC000037543819 183032564 /nfs/dbraw/zinc/03/25/64/183032564.db2.gz FBKSLRUFUMCOOM-UHFFFAOYSA-N 0 0 230.307 2.742 10 30 BFEERN OCc1ccc(C#Cc2ccccc2)s1 ZINC000000170004 183164071 /nfs/dbraw/zinc/16/40/71/183164071.db2.gz CHABLRKWLJTUAQ-UHFFFAOYSA-N 0 0 214.289 2.640 10 30 BFEERN CCCN(C)C(=O)C1(C#N)CCCCCC1 ZINC000044765506 169050965 /nfs/dbraw/zinc/05/09/65/169050965.db2.gz ZYXNSCGSQJUKFT-UHFFFAOYSA-N 0 0 222.332 2.719 10 30 BFEERN CCCN(CCC)c1cc(C)ccc1/C(N)=N/O ZINC000051578801 169152312 /nfs/dbraw/zinc/15/23/12/169152312.db2.gz STSOMOCUZOZIOT-UHFFFAOYSA-N 0 0 249.358 2.716 10 30 BFEERN Oc1ccc(C=NNc2ccc(F)cc2)cc1 ZINC000004933279 183265770 /nfs/dbraw/zinc/26/57/70/183265770.db2.gz MUBCLCQFZDZEBA-OQLLNIDSSA-N 0 0 230.242 2.977 10 30 BFEERN Oc1ccc(/C=N/c2ccccc2)cc1O ZINC000034302741 183267600 /nfs/dbraw/zinc/26/76/00/183267600.db2.gz JNIVPCAWGXUVRN-NTEUORMPSA-N 0 0 213.236 2.848 10 30 BFEERN Oc1cccc(OCC#Cc2ccccc2)c1 ZINC000051814620 183292394 /nfs/dbraw/zinc/29/23/94/183292394.db2.gz CZTAQACRQKYWIA-UHFFFAOYSA-N 0 0 224.259 2.823 10 30 BFEERN CCCN[C@@H](C#N)c1cc(F)ccc1F ZINC000037233657 169273731 /nfs/dbraw/zinc/27/37/31/169273731.db2.gz PPKYFQHOFPYJKZ-NSHDSACASA-N 0 0 210.227 2.529 10 30 BFEERN CCCN[C@@H](C#N)c1ccc(C)cc1C ZINC000026517061 169274030 /nfs/dbraw/zinc/27/40/30/169274030.db2.gz ZIASGDHXKDXTMX-ZDUSSCGKSA-N 0 0 202.301 2.868 10 30 BFEERN CCC[C@@H](C#N)C(=O)Nc1ccccc1C ZINC000044812299 169342623 /nfs/dbraw/zinc/34/26/23/169342623.db2.gz NNRVARQOFOYBGI-NSHDSACASA-N 0 0 216.284 2.873 10 30 BFEERN CCC[C@@H](C#N)NC(=O)Nc1ccc(C)cc1 ZINC000040220783 169343276 /nfs/dbraw/zinc/34/32/76/169343276.db2.gz CVRUIYSKMORFFJ-LBPRGKRZSA-N 0 0 231.299 2.809 10 30 BFEERN CCC[C@H](C#N)NC(=O)Nc1ccc(OC)cc1 ZINC000040220817 169464432 /nfs/dbraw/zinc/46/44/32/169464432.db2.gz HNADSXJXFCWAPK-LLVKDONJSA-N 0 0 247.298 2.509 10 30 BFEERN CCCc1ccc(O[C@@H](CC)/C(N)=N/O)cc1 ZINC000053333560 169572646 /nfs/dbraw/zinc/57/26/46/169572646.db2.gz DSKVBOCVQOUTDS-LBPRGKRZSA-N 0 0 236.315 2.543 10 30 BFEERN COc1cc(CC#N)c(C#N)cc1C(F)(F)F ZINC000575645020 383818084 /nfs/dbraw/zinc/81/80/84/383818084.db2.gz CUOQBWWIVFSOSJ-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN NC(=O)c1ccccc1/N=C\c1cccs1 ZINC000000585427 383876985 /nfs/dbraw/zinc/87/69/85/383876985.db2.gz XZLFLMNJARKUDW-ZSOIEALJSA-N 0 0 230.292 2.598 10 30 BFEERN COc1cc(C#N)cc(CC#N)c1C(F)(F)F ZINC000575645240 383877540 /nfs/dbraw/zinc/87/75/40/383877540.db2.gz DODWDPXZIGBZER-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN N#CCc1cc(C#N)c(C(F)(F)F)cc1F ZINC000575648250 383887215 /nfs/dbraw/zinc/88/72/15/383887215.db2.gz PJIGGCRBMZKYIR-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN N#CCc1cc(F)c(C#N)cc1C(F)(F)F ZINC000575648332 383893771 /nfs/dbraw/zinc/89/37/71/383893771.db2.gz PUTNDUDYDLRQOD-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN CC(C)(/C(=N/O)c1cccnc1)c1cccnc1 ZINC000029548463 383994448 /nfs/dbraw/zinc/99/44/48/383994448.db2.gz FKVVNDYKGAPFFC-GHRIWEEISA-N 0 0 241.294 2.633 10 30 BFEERN Cc1c(Cl)cnc(N2C[C@H]3CCC[C@H]32)c1C#N ZINC000336500252 384017142 /nfs/dbraw/zinc/01/71/42/384017142.db2.gz NFMOAYSCNAZLAN-BXKDBHETSA-N 0 0 247.729 2.904 10 30 BFEERN N#CCc1cc(F)cc(OC(F)(F)F)c1C#N ZINC000575650052 384021208 /nfs/dbraw/zinc/02/12/08/384021208.db2.gz VQOLFASFKPUJMY-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN SCCc1ccc(-c2ncccn2)cc1 ZINC000039121253 384107118 /nfs/dbraw/zinc/10/71/18/384107118.db2.gz DTYRLPXMRGDTBC-UHFFFAOYSA-N 0 0 216.309 2.616 10 30 BFEERN CS(=O)(=O)c1cccc2c(N=[N+]=[N-])ccnc21 ZINC000039140497 384108982 /nfs/dbraw/zinc/10/89/82/384108982.db2.gz PYZJRHSGZQSYKP-UHFFFAOYSA-N 0 0 248.267 2.580 10 30 BFEERN Cc1nnc(NC2CCC(C)CC2)c(C#N)c1C ZINC000024053178 384110818 /nfs/dbraw/zinc/11/08/18/384110818.db2.gz WPUGGWPLEDUHDO-UHFFFAOYSA-N 0 0 244.342 2.956 10 30 BFEERN N#CCc1cc(OC(F)(F)F)c(F)cc1C#N ZINC000575646238 384218956 /nfs/dbraw/zinc/21/89/56/384218956.db2.gz HWKBKOXSUONVAS-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN C[C@@H]1OCC[C@@H]1Nc1cccc(Cl)c1C#N ZINC000134559294 384353167 /nfs/dbraw/zinc/35/31/67/384353167.db2.gz MKSPELFFGRUHQL-KWQFWETISA-N 0 0 236.702 2.801 10 30 BFEERN Fc1cccc(C[C@H]2COCC[C@@H]2S)c1 ZINC000095077104 384353782 /nfs/dbraw/zinc/35/37/82/384353782.db2.gz VRSLPLZYMKLYDD-JQWIXIFHSA-N 0 0 226.316 2.703 10 30 BFEERN C[C@H]1OCC[C@@H]1Nc1ccc(Cl)cc1C#N ZINC000134558917 384353948 /nfs/dbraw/zinc/35/39/48/384353948.db2.gz DGDVEJPUPFLGAG-KCJUWKMLSA-N 0 0 236.702 2.801 10 30 BFEERN C[C@@H]1OCC[C@@H]1Nc1ccc(Cl)cc1C#N ZINC000134558937 384354018 /nfs/dbraw/zinc/35/40/18/384354018.db2.gz DGDVEJPUPFLGAG-KWQFWETISA-N 0 0 236.702 2.801 10 30 BFEERN CCOc1c(F)cc(OC(F)F)cc1CC#N ZINC000575655728 384355351 /nfs/dbraw/zinc/35/53/51/384355351.db2.gz IAHBZBYUWKAXMX-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCc1cc(CC#N)c(OC(F)F)c(OC)c1 ZINC000575658441 384394086 /nfs/dbraw/zinc/39/40/86/384394086.db2.gz UHXVNZNHXBDPNI-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1cc(C)c(C#N)c(OC(F)F)c1 ZINC000575659195 384400216 /nfs/dbraw/zinc/40/02/16/384400216.db2.gz ZWSQJOZPLOHROR-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN O=CCCc1cc(F)cc(C(F)(F)F)c1 ZINC000095938103 384416541 /nfs/dbraw/zinc/41/65/41/384416541.db2.gz FMBQBEDKXDYJPA-UHFFFAOYSA-N 0 0 220.165 2.976 10 30 BFEERN CCOc1c(F)ccc(CC#N)c1OC(F)F ZINC000575657178 384383740 /nfs/dbraw/zinc/38/37/40/384383740.db2.gz PQBLWPDJJWKSDP-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CC(C)(C)C(C)(C)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000335617590 384389476 /nfs/dbraw/zinc/38/94/76/384389476.db2.gz RYKXWYMMXSMFPZ-QWRGUYRKSA-N 0 0 236.359 2.867 10 30 BFEERN N#CCc1cc(O)c(C(F)F)cc1F ZINC000575667173 384442431 /nfs/dbraw/zinc/44/24/31/384442431.db2.gz IMIZLZLAVAJXNS-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN C=CCN(C)C(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000161626360 384542230 /nfs/dbraw/zinc/54/22/30/384542230.db2.gz YYJDDDOVNDUULP-OLZOCXBDSA-N 0 0 221.344 2.847 10 30 BFEERN N#Cc1cccc2c(Br)nccc12 ZINC000082766524 384562028 /nfs/dbraw/zinc/56/20/28/384562028.db2.gz FKUPKSGBURJCDO-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN COc1cc(C#N)cc(C(F)(F)F)c1OC ZINC000258421855 384587858 /nfs/dbraw/zinc/58/78/58/384587858.db2.gz MCQRXOZMWJOVHZ-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN C[C@H]1CCC[C@@]1(O)c1cccc(C#N)c1 ZINC000521401775 384628445 /nfs/dbraw/zinc/62/84/45/384628445.db2.gz OYCXERHTPDZLNM-GWCFXTLKSA-N 0 0 201.269 2.566 10 30 BFEERN C[C@H]1CCC[C@@]1(O)c1ccc(C#N)cc1 ZINC000521400973 384629509 /nfs/dbraw/zinc/62/95/09/384629509.db2.gz DMOXVPIQRVEDJF-GWCFXTLKSA-N 0 0 201.269 2.566 10 30 BFEERN C/C=C\C(=O)C1=C(C)C[C@H](O)CC1(C)C ZINC000100351941 384636659 /nfs/dbraw/zinc/63/66/59/384636659.db2.gz UPRXEFYRIACHQZ-OMMCCPJFSA-N 0 0 208.301 2.629 10 30 BFEERN C[C@H]1CCC[C@@H]1C(=O)N1CCC(CC#N)CC1 ZINC000335141478 384640787 /nfs/dbraw/zinc/64/07/87/384640787.db2.gz GKJSODJVPZHNAC-AAEUAGOBSA-N 0 0 234.343 2.575 10 30 BFEERN Cc1cc(Br)cc(O)c1CC#N ZINC000575691234 384646059 /nfs/dbraw/zinc/64/60/59/384646059.db2.gz KWEUHRISXQNIBH-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN Cc1c(Br)cc(O)cc1CC#N ZINC000575691116 384646226 /nfs/dbraw/zinc/64/62/26/384646226.db2.gz IFDCPSWHTAQYGK-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN Cc1c(F)cccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000335053506 384779582 /nfs/dbraw/zinc/77/95/82/384779582.db2.gz XYVAKLFNAORQRB-GWCFXTLKSA-N 0 0 246.285 2.556 10 30 BFEERN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)c1ccccn1 ZINC000054825141 384818990 /nfs/dbraw/zinc/81/89/90/384818990.db2.gz LLGVQDZFVUJQTH-OUCADQQQSA-N 0 0 229.327 2.815 10 30 BFEERN C#CCN(C)C(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000191149381 384824059 /nfs/dbraw/zinc/82/40/59/384824059.db2.gz DLEHNUVFZCQPEE-NEPJUHHUSA-N 0 0 221.344 2.540 10 30 BFEERN COc1cc(CC#N)c(F)c(OC(F)(F)F)c1 ZINC000575709579 384825445 /nfs/dbraw/zinc/82/54/45/384825445.db2.gz ZNSZXBPCUFFRQZ-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN N#CCc1cc(F)c(O)cc1C(F)(F)F ZINC000575704519 384791722 /nfs/dbraw/zinc/79/17/22/384791722.db2.gz XDLIRLAEXHLSQK-UHFFFAOYSA-N 0 0 219.137 2.616 10 30 BFEERN Cc1ccc2c(ncc(C#N)c2N(C)C)c1C ZINC000072237031 384840883 /nfs/dbraw/zinc/84/08/83/384840883.db2.gz CXUZCAYDZVIBQD-UHFFFAOYSA-N 0 0 225.295 2.789 10 30 BFEERN COc1c(C#N)cnc2c(C)c(C)ccc21 ZINC000072237039 384843000 /nfs/dbraw/zinc/84/30/00/384843000.db2.gz NWWZCPLPJGJNBH-UHFFFAOYSA-N 0 0 212.252 2.732 10 30 BFEERN CCc1ccc(Br)c(CC#N)c1N ZINC000575714375 384861413 /nfs/dbraw/zinc/86/14/13/384861413.db2.gz MYMGYXPCGRMGLP-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN Cc1cc(CC#N)cc(N)c1C(F)(F)F ZINC000575720489 384893794 /nfs/dbraw/zinc/89/37/94/384893794.db2.gz XQLYLWPHZSEWLF-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN Cc1cc(C(F)(F)F)c(CC#N)cc1N ZINC000575720143 384895122 /nfs/dbraw/zinc/89/51/22/384895122.db2.gz RMSALAYWMDYUOT-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN O/N=C\c1cc(Cc2ccccc2)ccc1O ZINC000030714764 385024143 /nfs/dbraw/zinc/02/41/43/385024143.db2.gz RUPKWDDMYKZGFV-GDNBJRDFSA-N 0 0 227.263 2.791 10 30 BFEERN Nc1cccc(/C=C/C(=O)c2ccco2)c1 ZINC000058863739 385033101 /nfs/dbraw/zinc/03/31/01/385033101.db2.gz NMDFXWKFHPTZLR-VOTSOKGWSA-N 0 0 213.236 2.758 10 30 BFEERN N#C[C@@H]1CO[C@@H]2C[C@@H](C(F)(F)F)CC[C@@H]12 ZINC000575601973 385266825 /nfs/dbraw/zinc/26/68/25/385266825.db2.gz JKHDXWYOLGBYAJ-RYPBNFRJSA-N 0 0 219.206 2.504 10 30 BFEERN CC(C)OCC(C)(C)Nc1cccc(C#N)n1 ZINC000396400432 385483462 /nfs/dbraw/zinc/48/34/62/385483462.db2.gz XSXHOXWVPVLLLN-UHFFFAOYSA-N 0 0 233.315 2.569 10 30 BFEERN CSc1ncc(C#N)n1Cc1ccccc1 ZINC000584616286 385623857 /nfs/dbraw/zinc/62/38/57/385623857.db2.gz MEDUGSJBDGHBQD-UHFFFAOYSA-N 0 0 229.308 2.525 10 30 BFEERN N#CCN[C@@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000309519947 385657821 /nfs/dbraw/zinc/65/78/21/385657821.db2.gz BCUMVZVYKDRFFX-QWHCGFSZSA-N 0 0 218.275 2.575 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1ccc(C#N)cn1 ZINC000231663451 385768964 /nfs/dbraw/zinc/76/89/64/385768964.db2.gz ZNIDSUCJAJGXTA-WDEREUQCSA-N 0 0 201.273 2.554 10 30 BFEERN CCc1ccccc1NC1=NCCS1 ZINC000012368504 385991311 /nfs/dbraw/zinc/99/13/11/385991311.db2.gz AYHFLYLMGVTSJU-UHFFFAOYSA-N 0 0 206.314 2.573 10 30 BFEERN C#C[C@@]1(C)CCCN1C(=O)OCc1ccccc1 ZINC000606300513 385961049 /nfs/dbraw/zinc/96/10/49/385961049.db2.gz NNNSEIBKIKZQFR-HNNXBMFYSA-N 0 0 243.306 2.811 10 30 BFEERN COc1cccc(N=Cc2ccc(O)cc2O)c1 ZINC000263631702 386312497 /nfs/dbraw/zinc/31/24/97/386312497.db2.gz NKYUKROTGDGGHB-UHFFFAOYSA-N 0 0 243.262 2.857 10 30 aggregator BFEERN C[C@@H]1CCC[C@@]1(O)c1ccc(C#N)cc1 ZINC000521400977 386450192 /nfs/dbraw/zinc/45/01/92/386450192.db2.gz DMOXVPIQRVEDJF-MFKMUULPSA-N 0 0 201.269 2.566 10 30 BFEERN C[C@@H](C#N)N1CCC2(CCCCC2)CC1 ZINC000061819909 386539232 /nfs/dbraw/zinc/53/92/32/386539232.db2.gz KSDUBXFUEUNFSS-LBPRGKRZSA-N 0 0 206.333 2.945 10 30 BFEERN CCOC(=O)c1cccc(C#N)c1C(F)(F)F ZINC000575345168 386710604 /nfs/dbraw/zinc/71/06/04/386710604.db2.gz BZEIJGOCYBJUNE-UHFFFAOYSA-N 0 0 243.184 2.754 10 30 BFEERN C=CCOc1ccc(CN(C)C(=O)C2CC2)cc1 ZINC000049939357 386683762 /nfs/dbraw/zinc/68/37/62/386683762.db2.gz NAOSCJVINQRRMU-UHFFFAOYSA-N 0 0 245.322 2.620 10 30 BFEERN O=[N+]([O-])c1ccc(/C=[N+](\[O-])c2ccccc2)s1 ZINC000575337865 386686511 /nfs/dbraw/zinc/68/65/11/386686511.db2.gz LSCCJAAIQVSCTC-WQLSENKSSA-N 0 0 249.271 2.809 10 30 BFEERN O=CCCCCCOc1ccc([N+](=O)[O-])cc1 ZINC000575448248 386690824 /nfs/dbraw/zinc/69/08/24/386690824.db2.gz GBYPFSFLQDWAAL-UHFFFAOYSA-N 0 0 237.255 2.733 10 30 BFEERN Cc1cc(C#N)ccc1C(=O)N[C@@H](C)C(C)C ZINC000160360467 386691552 /nfs/dbraw/zinc/69/15/52/386691552.db2.gz VKFFNBCERNUSQB-NSHDSACASA-N 0 0 230.311 2.641 10 30 BFEERN CCOC(=O)c1cc(C)c(C#N)c(C(F)F)c1 ZINC000575343538 386691809 /nfs/dbraw/zinc/69/18/09/386691809.db2.gz GFHQAUUGTJYTTP-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN N#CCc1ccc([N+](=O)[O-])cc1OC(F)(F)F ZINC000575345716 386714083 /nfs/dbraw/zinc/71/40/83/386714083.db2.gz SHKVXOQUBQJJKS-UHFFFAOYSA-N 0 0 246.144 2.559 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CC1=CCCCC1 ZINC000334639983 386782908 /nfs/dbraw/zinc/78/29/08/386782908.db2.gz WEOLGTUNLJRBEM-STQMWFEESA-N 0 0 232.327 2.685 10 30 BFEERN CCOC(=O)Cc1c(CC)ccc(C)c1C#N ZINC000575388807 386953119 /nfs/dbraw/zinc/95/31/19/386953119.db2.gz GSFZAHWYQRFIJJ-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOC(=O)c1ccc(C(F)F)c(C#N)c1F ZINC000575389412 386953249 /nfs/dbraw/zinc/95/32/49/386953249.db2.gz GVNYDTUGWYERBP-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)Cc1c(C)ccc(C#N)c1CC ZINC000575388978 386953623 /nfs/dbraw/zinc/95/36/23/386953623.db2.gz OGISTOARTLRKKG-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOC(=O)c1cc(C#N)c(F)cc1C(F)F ZINC000575389729 386954256 /nfs/dbraw/zinc/95/42/56/386954256.db2.gz NJAJOPYPBLEVBL-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)c1ccc(C(F)F)c(F)c1C#N ZINC000575389773 386954382 /nfs/dbraw/zinc/95/43/82/386954382.db2.gz RGXUWGNTDWQNRY-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)c1ccc(C#N)c(C(F)F)c1F ZINC000575389991 386954712 /nfs/dbraw/zinc/95/47/12/386954712.db2.gz YRQQUVKBISNNGZ-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)c1c(C#N)ccc(C(F)F)c1F ZINC000575389721 386955020 /nfs/dbraw/zinc/95/50/20/386955020.db2.gz MJXYPFABZWEYQG-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)Cc1ccc(C#N)c([S-])c1CC ZINC000575388002 386959208 /nfs/dbraw/zinc/95/92/08/386959208.db2.gz JZFKGOUKMGFFRG-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN COC(=O)c1ccc(C#N)c(F)c1C(F)(F)F ZINC000575390565 386961131 /nfs/dbraw/zinc/96/11/31/386961131.db2.gz YONCDHWQWORLSZ-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN COC(=O)c1cc(C)cc(C(F)(F)F)c1C#N ZINC000575394305 386993008 /nfs/dbraw/zinc/99/30/08/386993008.db2.gz BLINEMPWOXBHJG-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1c(C)c(C(F)(F)F)ccc1C#N ZINC000575395135 386997196 /nfs/dbraw/zinc/99/71/96/386997196.db2.gz OXVHRSRTSXSEOG-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN CCOc1ccc(CC#N)c(F)c1OC(F)F ZINC000575655341 387039404 /nfs/dbraw/zinc/03/94/04/387039404.db2.gz CHWXETPMRUXSTI-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCc1cc(OC(F)F)cc(O)c1CC#N ZINC000575655388 387039729 /nfs/dbraw/zinc/03/97/29/387039729.db2.gz MNSJKAVBBCEOSG-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCOc1cc(F)c(CC#N)c(OC(F)F)c1 ZINC000575655381 387039926 /nfs/dbraw/zinc/03/99/26/387039926.db2.gz DRKIUNAYRQATBQ-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCOc1c(F)c(CC#N)ccc1OC(F)F ZINC000575655421 387040070 /nfs/dbraw/zinc/04/00/70/387040070.db2.gz FBXHDMXEGIRBKB-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCOc1ccc(OC(F)F)c(C#N)c1C ZINC000575656418 387042389 /nfs/dbraw/zinc/04/23/89/387042389.db2.gz GMIKVYVBHFXUCY-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1cc(OC(F)F)c(F)cc1CC#N ZINC000575657197 387043713 /nfs/dbraw/zinc/04/37/13/387043713.db2.gz QAIHWQDSYFWGQU-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCOc1c(C#N)cc(F)cc1OC(F)F ZINC000575657442 387045481 /nfs/dbraw/zinc/04/54/81/387045481.db2.gz WTEDRPPKJIABJR-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCc1ccc(OC)c(OC(F)F)c1CC#N ZINC000575657626 387046224 /nfs/dbraw/zinc/04/62/24/387046224.db2.gz NYURJCSYBHNFTJ-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN Cc1cc(F)c(OC(F)F)c(C#N)c1 ZINC000575660929 387051386 /nfs/dbraw/zinc/05/13/86/387051386.db2.gz DDRBTYHPXJREBL-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN CCc1c([N+](=O)[O-])ccc(C#N)c1OC(F)F ZINC000575658039 387051527 /nfs/dbraw/zinc/05/15/27/387051527.db2.gz FCVHVPSUKHZEOB-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN Cc1ccc(C#N)c(F)c1OC(F)F ZINC000575661379 387059464 /nfs/dbraw/zinc/05/94/64/387059464.db2.gz NEUDGRYZXKITNL-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN CC(C)(C)OC(=O)N[C@]1(C#N)CCC[C@@H]2C[C@@H]21 ZINC000575468736 387086906 /nfs/dbraw/zinc/08/69/06/387086906.db2.gz WEEJCTRFEKCMJI-NRUUGDAUSA-N 0 0 236.315 2.593 10 30 BFEERN N#Cc1cn(CC(F)F)c2ccccc12 ZINC000575436768 387105636 /nfs/dbraw/zinc/10/56/36/387105636.db2.gz RVVZXELNXRLFII-UHFFFAOYSA-N 0 0 206.195 2.778 10 30 BFEERN Cc1cc(F)c(CC#N)cc1OC(F)F ZINC000575661710 387112085 /nfs/dbraw/zinc/11/20/85/387112085.db2.gz UZFJSSOIADBBPH-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN Cc1ccccc1[C@@]1(C#N)CCCOC1 ZINC000536950683 387162251 /nfs/dbraw/zinc/16/22/51/387162251.db2.gz RDJJHRIEGAOIOO-CYBMUJFWSA-N 0 0 201.269 2.567 10 30 BFEERN CC[C@@]1(C#N)COc2cc(C)c(C)cc2O1 ZINC000536952638 387166005 /nfs/dbraw/zinc/16/60/05/387166005.db2.gz DDOYCCZQKXEEKU-CYBMUJFWSA-N 0 0 217.268 2.747 10 30 BFEERN CC(C)COCCNc1ccc(F)cc1C#N ZINC000229337983 387172501 /nfs/dbraw/zinc/17/25/01/387172501.db2.gz CRDZLEFSFHUAMN-UHFFFAOYSA-N 0 0 236.290 2.782 10 30 BFEERN C[C@@H](C#N)C(=O)c1ccsc1Br ZINC000575488355 387258906 /nfs/dbraw/zinc/25/89/06/387258906.db2.gz YXMVTOIJGARIBD-YFKPBYRVSA-N 0 0 244.113 2.853 10 30 BFEERN Cc1ccc(OCc2ccc(F)cc2C#N)cn1 ZINC000103136232 387369473 /nfs/dbraw/zinc/36/94/73/387369473.db2.gz CVYDZIZBVVITNN-UHFFFAOYSA-N 0 0 242.253 2.980 10 30 BFEERN Cc1c(F)cc(Br)cc1CC#N ZINC000575689301 387377738 /nfs/dbraw/zinc/37/77/38/387377738.db2.gz AZSYLIJTDSQCRV-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN N#CCc1cc(O)c(C(F)F)c(F)c1 ZINC000575667855 387323153 /nfs/dbraw/zinc/32/31/53/387323153.db2.gz NCVQRUKJERYPHD-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN N#CCc1cc(O)cc(F)c1C(F)F ZINC000575668563 387328066 /nfs/dbraw/zinc/32/80/66/387328066.db2.gz SCCIMXFXHLQZRL-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN N#CCc1cc(F)c(C(F)F)cc1O ZINC000575669201 387332662 /nfs/dbraw/zinc/33/26/62/387332662.db2.gz YIFAXAZINXFWPO-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN CCOc1cc(C#N)c(F)c(OC(F)(F)F)c1 ZINC000575670023 387332708 /nfs/dbraw/zinc/33/27/08/387332708.db2.gz CSTZHYBUZHXFGC-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN Cc1cc([N+](=O)[O-])c(C#N)cc1C(F)F ZINC000575670714 387334052 /nfs/dbraw/zinc/33/40/52/387334052.db2.gz AMMJTRWTFHQSBU-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN CCOc1cc(C#N)c(F)cc1OC(F)(F)F ZINC000575670595 387335029 /nfs/dbraw/zinc/33/50/29/387335029.db2.gz OECWNNBNGLPXOO-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN Cc1cc(C(F)F)cc(C#N)c1[N+](=O)[O-] ZINC000575671754 387338563 /nfs/dbraw/zinc/33/85/63/387338563.db2.gz MEYHUFWCHFFECD-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN CCc1cc(O)cc(C#N)c1C(F)(F)F ZINC000575672890 387339816 /nfs/dbraw/zinc/33/98/16/387339816.db2.gz SKZRFQFFVRXZDC-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN Cc1c(CC#N)c([N+](=O)[O-])ccc1C(F)(F)F ZINC000575673753 387343241 /nfs/dbraw/zinc/34/32/41/387343241.db2.gz NARORBSSOHANHG-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN Cc1c(C(F)F)cc(C#N)cc1[N+](=O)[O-] ZINC000575672154 387343352 /nfs/dbraw/zinc/34/33/52/387343352.db2.gz QZPYMUCIDVLJOD-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN CCc1cc(CC#N)c(N)c(C(F)(F)F)c1 ZINC000575719244 387426635 /nfs/dbraw/zinc/42/66/35/387426635.db2.gz YMVYRLZAUGRTNV-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN N#CCc1c(N)cc(OC(F)F)cc1Cl ZINC000575714854 387428989 /nfs/dbraw/zinc/42/89/89/387428989.db2.gz OGNHRGDIAAHXLL-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN CCc1c(N)cc(CC#N)cc1Br ZINC000575715062 387429110 /nfs/dbraw/zinc/42/91/10/387429110.db2.gz ZMHBZBBUMCDJTJ-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN Cc1cc(N)c(C(F)(F)F)cc1CC#N ZINC000575720317 387441115 /nfs/dbraw/zinc/44/11/15/387441115.db2.gz URFAEVSYDULZMS-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN CCOc1cc(CC)cc(CC#N)c1[N+](=O)[O-] ZINC000575697548 387391117 /nfs/dbraw/zinc/39/11/17/387391117.db2.gz YEMYCTRFFYXSBR-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN COc1ccc(CC#N)c(OC(F)(F)F)c1F ZINC000575707904 387412628 /nfs/dbraw/zinc/41/26/28/387412628.db2.gz JSIWMILBFFBNQE-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN COc1cc(CC#N)cc(F)c1OC(F)(F)F ZINC000575708725 387413590 /nfs/dbraw/zinc/41/35/90/387413590.db2.gz OSMMEFPEJCFQOS-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN COC(=O)c1c(Cl)c(C#N)ccc1C(F)F ZINC000575712055 387414880 /nfs/dbraw/zinc/41/48/80/387414880.db2.gz DYNJBOWXEVWHNY-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN CCc1cc(CC#N)c(Br)cc1N ZINC000575713810 387418298 /nfs/dbraw/zinc/41/82/98/387418298.db2.gz DPYCLBBKKMAIOB-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN N#CCc1cc(OC(F)F)c(N)cc1Cl ZINC000575714209 387419184 /nfs/dbraw/zinc/41/91/84/387419184.db2.gz DVXQNMXMAYRNEX-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN N#CCc1c(N)ccc(OC(F)F)c1Cl ZINC000575714178 387419509 /nfs/dbraw/zinc/41/95/09/387419509.db2.gz CWTWOHAJCHKHCE-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN CCOC(=O)[C@@H](C#N)C1C[C@H]2CC[C@@H](C1)C2C ZINC000584599654 387501554 /nfs/dbraw/zinc/50/15/54/387501554.db2.gz GULHVEORXBPAGA-ZYLJPLBTSA-N 0 0 235.327 2.762 10 30 BFEERN CC=CC(=O)[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000575548153 387644254 /nfs/dbraw/zinc/64/42/54/387644254.db2.gz ARCMAYVDACKHIM-XCPMLMSESA-N 0 0 216.371 2.757 10 30 BFEERN C/C=C/C(=O)c1ccc(N)cc1Br ZINC000575550919 387653674 /nfs/dbraw/zinc/65/36/74/387653674.db2.gz VZZUHVKARKCEOX-NSCUHMNNSA-N 0 0 240.100 2.790 10 30 BFEERN Cc1cc(OC(F)F)cc(CC#N)c1C#N ZINC000575640332 387838194 /nfs/dbraw/zinc/83/81/94/387838194.db2.gz HPCOODISBIKQJC-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN Cc1ccc(F)c(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000061888490 387846765 /nfs/dbraw/zinc/84/67/65/387846765.db2.gz IDOCVODTXSTYSR-GWCFXTLKSA-N 0 0 246.285 2.556 10 30 BFEERN Cc1ccc(F)c(C(=O)N[C@H]2CCC[C@@H]2C#N)c1 ZINC000061888488 387847232 /nfs/dbraw/zinc/84/72/32/387847232.db2.gz IDOCVODTXSTYSR-MFKMUULPSA-N 0 0 246.285 2.556 10 30 BFEERN Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1C ZINC000061888616 387848731 /nfs/dbraw/zinc/84/87/31/387848731.db2.gz HWUSMLSHGRMXBJ-OCCSQVGLSA-N 0 0 242.322 2.726 10 30 BFEERN C[C@H]1CCC[C@@H]1C(=O)N(C)c1ccccc1C#N ZINC000230059758 387849704 /nfs/dbraw/zinc/84/97/04/387849704.db2.gz YZJBLMWQUDEAQG-AAEUAGOBSA-N 0 0 242.322 2.957 10 30 BFEERN COc1cc(CC#N)c(C#N)c(C(F)F)c1 ZINC000575643558 387854885 /nfs/dbraw/zinc/85/48/85/387854885.db2.gz RAHJKADJYUNEKH-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN N#CCc1cc(F)c(C#N)c(C(F)(F)F)c1 ZINC000575644482 387872035 /nfs/dbraw/zinc/87/20/35/387872035.db2.gz ARXSQTOUKWXJPT-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN N#CCc1ccc(C#N)c(F)c1OC(F)(F)F ZINC000575650327 387892123 /nfs/dbraw/zinc/89/21/23/387892123.db2.gz YLPRGNJGZHPODC-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN CCc1ccc(C#N)c(F)c1OC(F)F ZINC000575653356 387896283 /nfs/dbraw/zinc/89/62/83/387896283.db2.gz FRQUUEOSFVMLIW-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1c(F)ccc(OC(F)F)c1C#N ZINC000575653589 387896852 /nfs/dbraw/zinc/89/68/52/387896852.db2.gz KVBDIELGPNODOJ-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1cc(O)cc(CC#N)c1OC(F)F ZINC000575654451 387897331 /nfs/dbraw/zinc/89/73/31/387897331.db2.gz DDNPLYOZIAAESY-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCc1cc(CC#N)cc(O)c1OC(F)F ZINC000575654146 387897828 /nfs/dbraw/zinc/89/78/28/387897828.db2.gz ACXPQUWIHXEASE-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN COc1cc(C(F)(F)F)c(CC#N)cc1C#N ZINC000575645874 387876102 /nfs/dbraw/zinc/87/61/02/387876102.db2.gz GKSDFQMZIJMIHQ-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN Cc1cc(C)c(OCC=O)c(Br)c1 ZINC000019776839 177868685 /nfs/dbraw/zinc/86/86/85/177868685.db2.gz DLNWTCRGNVRMIZ-UHFFFAOYSA-N 0 0 243.100 2.644 10 30 BFEERN COc1c(CC#N)cc(C#N)cc1C(F)(F)F ZINC000575645018 387878697 /nfs/dbraw/zinc/87/86/97/387878697.db2.gz CUCJDNQAEYLATN-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN COc1cc(C#N)cc(C(F)(F)F)c1CC#N ZINC000575646236 387879055 /nfs/dbraw/zinc/87/90/55/387879055.db2.gz IMZRYWMLIAQSMS-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN COc1cc(CC#N)c(C#N)c(C(F)(F)F)c1 ZINC000575649484 387887078 /nfs/dbraw/zinc/88/70/78/387887078.db2.gz RSVXLARHDJCNGX-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN Cc1cc(C)c(CC#N)c(OC(F)F)c1 ZINC000575652142 387900975 /nfs/dbraw/zinc/90/09/75/387900975.db2.gz BHQVPNVMNRYXDG-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN C=CCN1CCCC[C@@H]1c1nccs1 ZINC000195360836 387911412 /nfs/dbraw/zinc/91/14/12/387911412.db2.gz YFYSCISVLKEBHI-SNVBAGLBSA-N 0 0 208.330 2.856 10 30 BFEERN Cc1ccnc(C(C)(C)C#N)c1Br ZINC000306364765 387915800 /nfs/dbraw/zinc/91/58/00/387915800.db2.gz AZVFIWBUFGSPKH-UHFFFAOYSA-N 0 0 239.116 2.954 10 30 BFEERN CC1(C)[C@H]2CC[C@]1(C)C(=NOC[C@H]1CO1)C2 ZINC000238808731 387936374 /nfs/dbraw/zinc/93/63/74/387936374.db2.gz OJBHYQHZQDEUEM-OPQQBVKSSA-N 0 0 223.316 2.604 10 30 BFEERN CC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])cc1C#N ZINC000227013298 388357504 /nfs/dbraw/zinc/35/75/04/388357504.db2.gz LBBXVJFNENWEBT-UFBFGSQYSA-N 0 0 231.255 2.677 10 30 BFEERN CCOC(=O)c1c(F)cc(C#N)cc1C(F)F ZINC000575389767 388524648 /nfs/dbraw/zinc/52/46/48/388524648.db2.gz QSSUYDIJOBCFFE-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN Cc1cc(CN[C@H]2CCC[C@H]2C#N)cs1 ZINC000328512252 388644713 /nfs/dbraw/zinc/64/47/13/388644713.db2.gz BZADEVAWXTVSTN-RYUDHWBXSA-N 0 0 220.341 2.838 10 30 BFEERN N#Cc1cnccc1N1C[C@H]2CCCCC[C@@H]21 ZINC000373449146 388709855 /nfs/dbraw/zinc/70/98/55/388709855.db2.gz POPJRZSZOPPEMS-YPMHNXCESA-N 0 0 227.311 2.722 10 30 BFEERN CCC(=NO)c1ccc(OCC(F)F)cc1 ZINC000254506669 388809023 /nfs/dbraw/zinc/80/90/23/388809023.db2.gz XQAUFEIVDNSZBS-UHFFFAOYSA-N 0 0 229.226 2.919 10 30 BFEERN N#CCc1cccc([N+](=O)[O-])c1OC(F)(F)F ZINC000575345680 388851761 /nfs/dbraw/zinc/85/17/61/388851761.db2.gz NEGLSRMJASMCPK-UHFFFAOYSA-N 0 0 246.144 2.559 10 30 BFEERN C[C@@H]1CC[C@@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496100 388963524 /nfs/dbraw/zinc/96/35/24/388963524.db2.gz IVPBBHACHIMUJM-BXKDBHETSA-N 0 0 224.304 2.593 10 30 BFEERN Cc1ccc(N2CCS[C@H](C)[C@H]2C)nc1C#N ZINC000302656105 132265382 /nfs/dbraw/zinc/26/53/82/132265382.db2.gz OAHLWZIYKOHBIB-GHMZBOCLSA-N 0 0 247.367 2.592 10 30 BFEERN N#Cc1ccc(N2CCC[C@H]3CCCC[C@@H]32)nn1 ZINC000301928006 132308353 /nfs/dbraw/zinc/30/83/53/132308353.db2.gz NIOJAPMSSLAXCM-YPMHNXCESA-N 0 0 242.326 2.507 10 30 BFEERN C[C@H]1C(=O)C=CN2c3ccccc3CC[C@H]12 ZINC000027206310 132333824 /nfs/dbraw/zinc/33/38/24/132333824.db2.gz FBWAJLPTZNQDAJ-ZYHUDNBSSA-N 0 0 213.280 2.540 10 30 BFEERN N#CCCCCN1C(=O)CCc2cc(F)ccc21 ZINC000049579494 132356233 /nfs/dbraw/zinc/35/62/33/132356233.db2.gz FMIQRGSUBOZSJY-UHFFFAOYSA-N 0 0 246.285 2.799 10 30 BFEERN C[C@@H]1CCCN(c2ccc(N)cc2C#N)[C@@H]1C ZINC000050564136 132359156 /nfs/dbraw/zinc/35/91/56/132359156.db2.gz DCEVDCKOSPNQOE-GHMZBOCLSA-N 0 0 229.327 2.765 10 30 BFEERN C[C@@H]1[C@@H](C)CCCN1c1ccc(N)cc1C#N ZINC000050564137 132359159 /nfs/dbraw/zinc/35/91/59/132359159.db2.gz DCEVDCKOSPNQOE-WDEREUQCSA-N 0 0 229.327 2.765 10 30 BFEERN N#Cc1ccc(N2CCC[C@H](C=O)C2)c(Cl)c1 ZINC000062791698 132388609 /nfs/dbraw/zinc/38/86/09/132388609.db2.gz SRKCPIFNXYKXEK-NSHDSACASA-N 0 0 248.713 2.627 10 30 BFEERN CC[C@H](C#N)NC(=O)[C@H]1C[C@H]1c1ccccc1C ZINC000247086841 133492723 /nfs/dbraw/zinc/49/27/23/133492723.db2.gz UDCZKOAVKWULPF-XBFCOCLRSA-N 0 0 242.322 2.517 10 30 BFEERN CC[C@H]1CCCC[C@@H]1N(C)c1nccc(C#N)n1 ZINC000408459745 133498763 /nfs/dbraw/zinc/49/87/63/133498763.db2.gz ZJYXIFZFUFGWOO-AAEUAGOBSA-N 0 0 244.342 2.753 10 30 BFEERN C[C@@H](C#N)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 ZINC000334271540 133610114 /nfs/dbraw/zinc/61/01/14/133610114.db2.gz VHXIACSFWYXRMN-UWVGGRQHSA-N 0 0 246.276 2.953 10 30 BFEERN CC1CC(NC(=O)C[C@@H]2CCCCNC2=O)C1 ZINC000329282395 133962821 /nfs/dbraw/zinc/96/28/21/133962821.db2.gz MVBBTQRKIIXGTF-YVNMAJEFSA-N 0 0 238.331 2.888 10 30 BFEERN CN(C(=O)N[C@@H]1CCC[C@H]1C#N)C1CCCCC1 ZINC000336033039 134058848 /nfs/dbraw/zinc/05/88/48/134058848.db2.gz ILASWFOQSMLZSL-WCQYABFASA-N 0 0 249.358 2.653 10 30 BFEERN CC1(c2noc([C@]3(C#N)CC34CCCC4)n2)CC1 ZINC000333068671 134084795 /nfs/dbraw/zinc/08/47/95/134084795.db2.gz GAFNYZWRPZINDE-CQSZACIVSA-N 0 0 243.310 2.847 10 30 BFEERN CC1(c2noc([C@@]3(C#N)CC34CCCC4)n2)CC1 ZINC000333068667 134085622 /nfs/dbraw/zinc/08/56/22/134085622.db2.gz GAFNYZWRPZINDE-AWEZNQCLSA-N 0 0 243.310 2.847 10 30 BFEERN C[C@H](CC(C)(C)C)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000356936237 134181170 /nfs/dbraw/zinc/18/11/70/134181170.db2.gz PLMAKLGARILQQN-IJLUTSLNSA-N 0 0 236.359 2.867 10 30 BFEERN N#CC1(C(=O)N2C[C@H]3CCCCC[C@@H]32)CCCC1 ZINC000370244747 134224890 /nfs/dbraw/zinc/22/48/90/134224890.db2.gz RCAHXLVMYUFNRX-OLZOCXBDSA-N 0 0 246.354 2.861 10 30 BFEERN C[C@H](C#N)N1CCC[C@@]2(CC=CCC2)C1 ZINC000181884693 134340012 /nfs/dbraw/zinc/34/00/12/134340012.db2.gz HOOKUPLTYMQLSM-OLZOCXBDSA-N 0 0 204.317 2.721 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1ncc(Cl)s1 ZINC000225521283 134354104 /nfs/dbraw/zinc/35/41/04/134354104.db2.gz VEKQGQOKIDTXQD-JGVFFNPUSA-N 0 0 241.747 2.578 10 30 BFEERN Cc1cc(F)ccc1CN[C@H]1CCC[C@H]1C#N ZINC000061892569 134804293 /nfs/dbraw/zinc/80/42/93/134804293.db2.gz LYZDCPLCVPPSPX-FZMZJTMJSA-N 0 0 232.302 2.916 10 30 BFEERN Cc1ccc(NC(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061889408 134804606 /nfs/dbraw/zinc/80/46/06/134804606.db2.gz QHWPQZKTFZTMKP-YPMHNXCESA-N 0 0 243.310 2.809 10 30 BFEERN CC#CCCN1C[C@@H](c2ccccc2)OC[C@H]1C ZINC000248396919 135005090 /nfs/dbraw/zinc/00/50/90/135005090.db2.gz QWAYGSFLLXIQLR-ZBFHGGJFSA-N 0 0 243.350 2.862 10 30 BFEERN Cc1nc(C)c(CN[C@H]2CCC[C@@H]2C#N)s1 ZINC000084148981 135187212 /nfs/dbraw/zinc/18/72/12/135187212.db2.gz ABTHVQZPAPKCMM-MNOVXSKESA-N 0 0 235.356 2.542 10 30 BFEERN Cc1scc(C(=O)N[C@H]2CCC[C@H]2C#N)c1C ZINC000334234535 135399107 /nfs/dbraw/zinc/39/91/07/135399107.db2.gz ZVOKXGISVQCKHC-JQWIXIFHSA-N 0 0 248.351 2.787 10 30 BFEERN CC1(NC(=O)N[C@H]2CCC[C@H]2C#N)CCCCC1 ZINC000335155269 135914121 /nfs/dbraw/zinc/91/41/21/135914121.db2.gz MLUCHTASROJSOT-RYUDHWBXSA-N 0 0 249.358 2.701 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1ccc(Cl)cn1 ZINC000335285255 136002328 /nfs/dbraw/zinc/00/23/28/136002328.db2.gz SISSDTPUDMQIHB-CABZTGNLSA-N 0 0 235.718 2.517 10 30 BFEERN COc1ccc2cccc(OC[C@H]3CO3)c2c1 ZINC000196144977 397951765 /nfs/dbraw/zinc/95/17/65/397951765.db2.gz UUEGSIWXUXDGPA-GFCCVEGCSA-N 0 0 230.263 2.626 10 30 BFEERN Cc1cc(C(F)(F)F)cc([N+](=O)[O-])c1CC#N ZINC000575675706 398046273 /nfs/dbraw/zinc/04/62/73/398046273.db2.gz XFUBZTSIDZALAT-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN C#CCCCCC(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000362025896 397979235 /nfs/dbraw/zinc/97/92/35/397979235.db2.gz UXXLHOWJPUDSNV-KBPBESRZSA-N 0 0 233.355 2.971 10 30 BFEERN CCOC(=O)[C@H]1C(C)=C(CC)C(=O)C[C@H]1C ZINC000584624788 398079488 /nfs/dbraw/zinc/07/94/88/398079488.db2.gz WMQYZBLUMOGYDU-PRHODGIISA-N 0 0 224.300 2.501 10 30 BFEERN N#Cc1ccc(Oc2ncccc2C#N)cc1F ZINC000075881653 398087401 /nfs/dbraw/zinc/08/74/01/398087401.db2.gz ZFFVSFXGWDUHIR-UHFFFAOYSA-N 0 0 239.209 2.756 10 30 BFEERN CC(C)COC(=O)N(C)c1ccc(C#N)cc1 ZINC000061955118 167021598 /nfs/dbraw/zinc/02/15/98/167021598.db2.gz ZUUPFAJOMUVQAL-UHFFFAOYSA-N 0 0 232.283 2.787 10 30 BFEERN CC(C)N[C@]1(C#N)CCCc2sccc21 ZINC000061329609 167142314 /nfs/dbraw/zinc/14/23/14/167142314.db2.gz DFBYLAZOPFNUBX-LBPRGKRZSA-N 0 0 220.341 2.801 10 30 BFEERN C#CCNC1(C#N)CCC(c2ccccc2)CC1 ZINC000051962595 166187675 /nfs/dbraw/zinc/18/76/75/166187675.db2.gz MMQJCJVEMWIDRT-UHFFFAOYSA-N 0 0 238.334 2.829 10 30 BFEERN C#CCOc1c2ccccc2ccc1[C@H](C)O ZINC000035628057 166197542 /nfs/dbraw/zinc/19/75/42/166197542.db2.gz KANFEKYKRRYSKO-NSHDSACASA-N 0 0 226.275 2.905 10 30 BFEERN C#Cc1cccc(NCc2ccc(O)c(O)c2)c1 ZINC000019876842 166224085 /nfs/dbraw/zinc/22/40/85/166224085.db2.gz MHYRSECYYCXFJI-UHFFFAOYSA-N 0 0 239.274 2.691 10 30 BFEERN C=CCCOCc1ccc(C#N)cc1F ZINC000026513654 166270750 /nfs/dbraw/zinc/27/07/50/166270750.db2.gz NUROVCFBIHMGJZ-UHFFFAOYSA-N 0 0 205.232 2.790 10 30 BFEERN C=CCN(CC=C)c1ccc(C=O)cc1 ZINC000020078878 166337816 /nfs/dbraw/zinc/33/78/16/166337816.db2.gz VRZCQDSGBXMFIL-UHFFFAOYSA-N 0 0 201.269 2.678 10 30 BFEERN C=CCNC(=O)/C=C/c1ccccc1OCCC ZINC000040946898 166361936 /nfs/dbraw/zinc/36/19/36/166361936.db2.gz DUPOREJVDLZAMU-MDZDMXLPSA-N 0 0 245.322 2.791 10 30 BFEERN C=CCNC(=O)c1ccc(NC2CCCC2)cc1 ZINC000037783530 166393022 /nfs/dbraw/zinc/39/30/22/166393022.db2.gz RZHGXCTZVWMDPC-UHFFFAOYSA-N 0 0 244.338 2.957 10 30 BFEERN C=CCN[C@@]1(C#N)CCCc2sccc21 ZINC000061329953 166405233 /nfs/dbraw/zinc/40/52/33/166405233.db2.gz IQXWWFIQIZANOI-GFCCVEGCSA-N 0 0 218.325 2.579 10 30 BFEERN C=CCOc1c(C=O)cccc1CC=C ZINC000033608115 166421950 /nfs/dbraw/zinc/42/19/50/166421950.db2.gz YIZHWEKWDRJEKT-UHFFFAOYSA-N 0 0 202.253 2.792 10 30 BFEERN CC(=O)c1ccc(C#N)cc1OCC1CC1 ZINC000098095555 166454322 /nfs/dbraw/zinc/45/43/22/166454322.db2.gz HBKZAGUPMHRMKA-UHFFFAOYSA-N 0 0 215.252 2.550 10 30 BFEERN CC(C)N[C@@H](C#N)[C@H](C)c1ccccc1 ZINC000041046394 167129394 /nfs/dbraw/zinc/12/93/94/167129394.db2.gz DQEXAQMMBONNEU-YPMHNXCESA-N 0 0 202.301 2.680 10 30 BFEERN CC(C)Oc1cc(C#N)ccc1OC1CC1 ZINC000095723066 167283707 /nfs/dbraw/zinc/28/37/07/167283707.db2.gz MTTLGTKXXQZVAV-UHFFFAOYSA-N 0 0 217.268 2.887 10 30 BFEERN CC(C)Oc1ccc([C@H](C#N)N(C)C)cc1 ZINC000019934891 167301399 /nfs/dbraw/zinc/30/13/99/167301399.db2.gz BYURIXVJDAPCJO-ZDUSSCGKSA-N 0 0 218.300 2.600 10 30 BFEERN CC(C)SCCOc1cccc(C#CC[NH3+])c1 ZINC000049612831 167334707 /nfs/dbraw/zinc/33/47/07/167334707.db2.gz NWLVJZGOFOYZFW-UHFFFAOYSA-N 0 0 249.379 2.517 10 30 BFEERN CCN(CC)[C@@H](C#N)c1ccc(O)c(Cl)c1 ZINC000043489847 169795338 /nfs/dbraw/zinc/79/53/38/169795338.db2.gz XSXOAALRAQZVEH-NSHDSACASA-N 0 0 238.718 2.952 10 30 BFEERN CC(C)c1ccc(N2C[C@H](C#N)CC2=O)cc1 ZINC000011894201 167602244 /nfs/dbraw/zinc/60/22/44/167602244.db2.gz YLZKEEIDTHXNSF-NSHDSACASA-N 0 0 228.295 2.686 10 30 BFEERN CCN(CC)[C@H](C#N)c1cccc(C)c1 ZINC000019934125 169799269 /nfs/dbraw/zinc/79/92/69/169799269.db2.gz GBDNQQVIXCZCOK-CYBMUJFWSA-N 0 0 202.301 2.902 10 30 BFEERN N#Cc1nnc(-c2ccccc2Cl)s1 ZINC000259744806 411164975 /nfs/dbraw/zinc/16/49/75/411164975.db2.gz YRAZNWYSPWJGTL-UHFFFAOYSA-N 0 0 221.672 2.730 10 30 BFEERN CC[C@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000231717352 411185797 /nfs/dbraw/zinc/18/57/97/411185797.db2.gz LIIZCLZQIVDVAQ-KWQFWETISA-N 0 0 231.255 2.677 10 30 BFEERN C=C[C@H](C(=O)[O-])[NH+]1CCC2(CCCCC2)CC1 ZINC000304230836 411288293 /nfs/dbraw/zinc/28/82/93/411288293.db2.gz RXBBSQFZZIQNFB-GFCCVEGCSA-N 0 0 237.343 2.672 10 30 BFEERN C=C[C@H](C(=O)[O-])[N@@H+]1CCCC(CC)(CC)C1 ZINC000656764226 411347914 /nfs/dbraw/zinc/34/79/14/411347914.db2.gz WNMKWRJKVXQJDT-LLVKDONJSA-N 0 0 225.332 2.528 10 30 BFEERN CC1=CC(=O)CC(C)(C)[C@@H]1CC[C@@H](C)O ZINC000005766762 168091067 /nfs/dbraw/zinc/09/10/67/168091067.db2.gz UEEJDIUOCUCVHN-ZYHUDNBSSA-N 0 0 210.317 2.709 10 30 in-vitro,metabolite BFEERN CCC(C)(C)N=C(NC#N)Nc1ccccc1 ZINC000033855196 168287621 /nfs/dbraw/zinc/28/76/21/168287621.db2.gz CTIWEVBJBPCNSD-UHFFFAOYSA-N 0 0 230.315 2.523 10 30 BFEERN CCN(c1ccc(C#N)cc1F)[C@@H](C)COC ZINC000042780534 169941432 /nfs/dbraw/zinc/94/14/32/169941432.db2.gz UIZVKPMJCFLNPZ-JTQLQIEISA-N 0 0 236.290 2.559 10 30 BFEERN CCN[C@@H](C#N)c1ccc(C(C)C)cc1 ZINC000020174343 170137575 /nfs/dbraw/zinc/13/75/75/170137575.db2.gz AYCDBHOBHHUTBN-ZDUSSCGKSA-N 0 0 202.301 2.984 10 30 BFEERN CCN[C@@H](C#N)c1ccc(Cl)c(F)c1 ZINC000043390684 170137675 /nfs/dbraw/zinc/13/76/75/170137675.db2.gz XEWUNPSVSWGWPB-JTQLQIEISA-N 0 0 212.655 2.653 10 30 BFEERN CCN[C@@H](C#N)c1ccccc1C(F)(F)F ZINC000020176295 170137933 /nfs/dbraw/zinc/13/79/33/170137933.db2.gz UYMLUNONSVJZHZ-JTQLQIEISA-N 0 0 228.217 2.880 10 30 BFEERN CCN[C@H](C#N)c1ccc(C(C)C)cc1 ZINC000020174345 170155863 /nfs/dbraw/zinc/15/58/63/170155863.db2.gz AYCDBHOBHHUTBN-CYBMUJFWSA-N 0 0 202.301 2.984 10 30 BFEERN CCOc1ccc([C@@H](C#N)NCC2CC2)cc1 ZINC000037946904 170557923 /nfs/dbraw/zinc/55/79/23/170557923.db2.gz PCSVAXXIMRYHMZ-CQSZACIVSA-N 0 0 230.311 2.650 10 30 BFEERN CCSc1ncc(Br)cc1C#N ZINC000211560819 170658290 /nfs/dbraw/zinc/65/82/90/170658290.db2.gz YDPDXENWSRCZIM-UHFFFAOYSA-N 0 0 243.129 2.828 10 30 BFEERN CC[C@@H](C)N[C@@H](C#N)c1c(F)cccc1F ZINC000038064246 170754740 /nfs/dbraw/zinc/75/47/40/170754740.db2.gz FDGILULOUNJCIJ-KCJUWKMLSA-N 0 0 224.254 2.918 10 30 BFEERN CC[C@@H](C)N[C@](C)(C#N)c1ccc(N(C)C)cc1 ZINC000038064138 170759061 /nfs/dbraw/zinc/75/90/61/170759061.db2.gz FFCFFZRUEIVCCX-IUODEOHRSA-N 0 0 245.370 2.879 10 30 BFEERN CC[C@H](C)COc1ccccc1C#CCCO ZINC000050427237 171291709 /nfs/dbraw/zinc/29/17/09/171291709.db2.gz KUJVCMYKLFUETH-ZDUSSCGKSA-N 0 0 232.323 2.845 10 30 BFEERN CC[C@H](C)OC1=C(C)C(=O)S[C@H]1C ZINC000039090722 171350994 /nfs/dbraw/zinc/35/09/94/171350994.db2.gz MVLWFPBXSIYLPQ-XPUUQOCRSA-N 0 0 200.303 2.737 10 30 BFEERN CC[C@H](C)OCCC(=O)Nc1ccccc1C#N ZINC000048264590 171355249 /nfs/dbraw/zinc/35/52/49/171355249.db2.gz NTEZRLFOULCFRI-NSHDSACASA-N 0 0 246.310 2.702 10 30 BFEERN CC[C@H](C)Oc1ccc(C)cc1C#CCCO ZINC000037544312 171356415 /nfs/dbraw/zinc/35/64/15/171356415.db2.gz HBQKUAOAKXRQKY-ZDUSSCGKSA-N 0 0 232.323 2.906 10 30 BFEERN CC[C@H](C)Sc1ccccc1/C(N)=N/O ZINC000020077136 171357452 /nfs/dbraw/zinc/35/74/52/171357452.db2.gz QWQZIVQGZPIKLG-QMMMGPOBSA-N 0 0 224.329 2.672 10 30 BFEERN CC[C@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233996322 171367511 /nfs/dbraw/zinc/36/75/11/171367511.db2.gz NOOGFWBMSIKYGA-DTWKUNHWSA-N 0 0 248.286 2.708 10 30 BFEERN CC[C@H](Nc1ccc(C#N)nc1)C(C)C ZINC000131895304 171550705 /nfs/dbraw/zinc/55/07/05/171550705.db2.gz DVHAMKCBAQZEIG-LBPRGKRZSA-N 0 0 203.289 2.800 10 30 BFEERN CCc1ccc([C@H](C#N)NC[C@H]2CCCO2)cc1 ZINC000037939871 171838115 /nfs/dbraw/zinc/83/81/15/171838115.db2.gz VMBLEBVHPMEFCQ-CABCVRRESA-N 0 0 244.338 2.582 10 30 BFEERN CCc1nn(-c2ccccc2)c(Cl)c1C#N ZINC000021949737 172038306 /nfs/dbraw/zinc/03/83/06/172038306.db2.gz LQYQOQNGVFTKDB-UHFFFAOYSA-N 0 0 231.686 2.960 10 30 BFEERN CN(C)/C=C/C(=O)/C=C/C=C\c1ccccc1 ZINC000033374102 172349724 /nfs/dbraw/zinc/34/97/24/172349724.db2.gz UBLXAPPOEZMQTH-OGEZFLCUSA-N 0 0 227.307 2.900 10 30 BFEERN CN(C)/C=C\C(=O)c1ccc(Cl)s1 ZINC000033290940 172351009 /nfs/dbraw/zinc/35/10/09/172351009.db2.gz LURWBHIWFVQYPC-WAYWQWQTSA-N 0 0 215.705 2.660 10 30 BFEERN CN(C)/C=C\C(=O)/C=C/c1ccc(Cl)cc1 ZINC000033290868 172351119 /nfs/dbraw/zinc/35/11/19/172351119.db2.gz QUKRUPURRGVIDX-JVXHAKPFSA-N 0 0 235.714 2.998 10 30 BFEERN CN(C)[C@@H](C#N)c1ccc(Br)cc1 ZINC000019934813 172518411 /nfs/dbraw/zinc/51/84/11/172518411.db2.gz VQFXDUFVJTZECX-JTQLQIEISA-N 0 0 239.116 2.575 10 30 BFEERN CN(Cc1ccccc1C#N)c1ccc(N)cc1 ZINC000020374563 172874195 /nfs/dbraw/zinc/87/41/95/172874195.db2.gz KSMONPUKJZQYPL-UHFFFAOYSA-N 0 0 237.306 2.777 10 30 BFEERN CN(Cc1ccccn1)c1cccc(C#N)c1 ZINC000061957000 172882713 /nfs/dbraw/zinc/88/27/13/172882713.db2.gz LGLXGJDSNJEWJH-UHFFFAOYSA-N 0 0 223.279 2.590 10 30 BFEERN CN(c1ccc(C#N)cc1)[C@@H]1CCC[C@@H]1C#N ZINC000061952373 172945168 /nfs/dbraw/zinc/94/51/68/172945168.db2.gz XLHMASUHZVYVBK-TZMCWYRMSA-N 0 0 225.295 2.687 10 30 BFEERN COc1cc(OC)cc([C@H](C#N)NCC(C)C)c1 ZINC000037939258 175011091 /nfs/dbraw/zinc/01/10/91/175011091.db2.gz XFBLDTSNDPPUGJ-AWEZNQCLSA-N 0 0 248.326 2.514 10 30 BFEERN COc1cc([C@@H](C)O)ccc1OCCCCC#N ZINC000049578730 175014029 /nfs/dbraw/zinc/01/40/29/175014029.db2.gz ULCXRWJSADZFGB-LLVKDONJSA-N 0 0 249.310 2.821 10 30 BFEERN COc1ccc(-c2cc(O)cc(C#N)c2)cc1 ZINC000065341348 175032669 /nfs/dbraw/zinc/03/26/69/175032669.db2.gz GTIDZUPZHDBKIO-UHFFFAOYSA-N 0 0 225.247 2.939 10 30 BFEERN COc1ccc(/C=C\C(=O)C(C)C)cc1 ZINC000005841737 175048320 /nfs/dbraw/zinc/04/83/20/175048320.db2.gz ZIXVMEYRFPMOAV-TWGQIWQCSA-N 0 0 204.269 2.934 10 30 BFEERN COc1ccc(Br)cc1[C@@H](C)C=O ZINC000036164746 175051144 /nfs/dbraw/zinc/05/11/44/175051144.db2.gz SHHICBLKJBUUCK-ZETCQYMHSA-N 0 0 243.100 2.760 10 30 BFEERN COc1ccc(C#Cc2cccc(N)c2)cc1C ZINC000037547797 175051365 /nfs/dbraw/zinc/05/13/65/175051365.db2.gz LRSMDIQKLIDEFU-UHFFFAOYSA-N 0 0 237.302 2.986 10 30 BFEERN COc1ccc(C)cc1C1=CC(=O)CC1 ZINC000077297255 175074000 /nfs/dbraw/zinc/07/40/00/175074000.db2.gz WESZZWXMEWKUAN-UHFFFAOYSA-N 0 0 202.253 2.750 10 30 BFEERN COc1ccc(CC[C@@](C)(C#N)NC(C)C)cc1 ZINC000037846546 175093436 /nfs/dbraw/zinc/09/34/36/175093436.db2.gz QUVVGIFHSUKOIS-HNNXBMFYSA-N 0 0 246.354 2.908 10 30 BFEERN COc1ccc(CN[C@H](C#N)CC(C)C)cc1 ZINC000057520960 175111190 /nfs/dbraw/zinc/11/11/90/175111190.db2.gz IBRUNBBNGQWZAD-ZDUSSCGKSA-N 0 0 232.327 2.723 10 30 BFEERN COc1ccc(Cl)c2[nH]cc(C#N)c21 ZINC000082594116 175118698 /nfs/dbraw/zinc/11/86/98/175118698.db2.gz ABUVYFUISKPFIW-UHFFFAOYSA-N 0 0 206.632 2.702 10 30 BFEERN COc1ccc(Cl)cc1C(C)(C)C=O ZINC000041226482 175120279 /nfs/dbraw/zinc/12/02/79/175120279.db2.gz SQVYMZJVZLGHKI-UHFFFAOYSA-N 0 0 212.676 2.825 10 30 BFEERN COc1ccc(Cl)cc1C1(C=O)CC1 ZINC000057496383 175120483 /nfs/dbraw/zinc/12/04/83/175120483.db2.gz DKDUMLJWLZLUFW-UHFFFAOYSA-N 0 0 210.660 2.579 10 30 BFEERN COc1ccc(Cl)cc1CCCC=O ZINC000070738879 175120836 /nfs/dbraw/zinc/12/08/36/175120836.db2.gz KSLOHEZFVGCMDP-UHFFFAOYSA-N 0 0 212.676 2.870 10 30 BFEERN COc1ccc(N[C@@H](C)CC#N)cc1F ZINC000037871407 175152940 /nfs/dbraw/zinc/15/29/40/175152940.db2.gz YWEKBAAOLOHYPG-QMMMGPOBSA-N 0 0 208.236 2.548 10 30 BFEERN COc1ccc(N[C@H](C)C#N)cc1Cl ZINC000043514078 175154672 /nfs/dbraw/zinc/15/46/72/175154672.db2.gz NJSWTCNUUYESBQ-SSDOTTSWSA-N 0 0 210.664 2.673 10 30 BFEERN COc1ccc(N[C@](C)(C#N)C2CC2)cc1 ZINC000037936533 175156197 /nfs/dbraw/zinc/15/61/97/175156197.db2.gz RVTLRLFDPAIWSC-CYBMUJFWSA-N 0 0 216.284 2.799 10 30 BFEERN COc1ccc2c(c1)CCC[C@]2(C#N)NC(C)C ZINC000036924638 175209190 /nfs/dbraw/zinc/20/91/90/175209190.db2.gz WYEFNSAYXBGAFJ-OAHLLOKOSA-N 0 0 244.338 2.748 10 30 BFEERN COc1cccc(C2=CC(=O)CCC2)c1F ZINC000075864651 175248992 /nfs/dbraw/zinc/24/89/92/175248992.db2.gz SGAJWNGGJNXXFC-UHFFFAOYSA-N 0 0 220.243 2.971 10 30 BFEERN COc1cccc(NC2(C#N)CCCC2)c1 ZINC000037937752 175278247 /nfs/dbraw/zinc/27/82/47/175278247.db2.gz FUSYZYFKVYCYGM-UHFFFAOYSA-N 0 0 216.284 2.943 10 30 BFEERN COc1cccc(OC)c1C(=O)C1=CCCC1 ZINC000050325135 175281466 /nfs/dbraw/zinc/28/14/66/175281466.db2.gz VHXVKGWCQSEAPW-UHFFFAOYSA-N 0 0 232.279 2.997 10 30 BFEERN COc1cccc(OC)c1OCCCCS ZINC000041286955 175281947 /nfs/dbraw/zinc/28/19/47/175281947.db2.gz MIIZTLVOIYJBLQ-UHFFFAOYSA-N 0 0 242.340 2.793 10 30 BFEERN COc1cccc([C@@]2(CC#N)CCCCC2=O)c1 ZINC000039310494 175291647 /nfs/dbraw/zinc/29/16/47/175291647.db2.gz IIWIVQCTYPEHLK-HNNXBMFYSA-N 0 0 243.306 2.990 10 30 BFEERN COc1cccc2c(CCC#N)c[nH]c21 ZINC000082589077 175299296 /nfs/dbraw/zinc/29/92/96/175299296.db2.gz LGPMXBNDDKQQPT-UHFFFAOYSA-N 0 0 200.241 2.633 10 30 BFEERN COc1cccc2c1CCC[C@@]2(C#N)CC#N ZINC000082293390 175301135 /nfs/dbraw/zinc/30/11/35/175301135.db2.gz IOCZCZUPCIRFKU-AWEZNQCLSA-N 0 0 226.279 2.707 10 30 BFEERN COc1ccccc1/C=C/C(=O)c1ccccn1 ZINC000038294174 175313892 /nfs/dbraw/zinc/31/38/92/175313892.db2.gz BZSFAWADFYSZHW-MDZDMXLPSA-N 0 0 239.274 2.986 10 30 BFEERN COc1ccccc1NCc1cccnc1C#N ZINC000061656842 175338162 /nfs/dbraw/zinc/33/81/62/175338162.db2.gz SXKBDMJGYNQROO-UHFFFAOYSA-N 0 0 239.278 2.574 10 30 BFEERN COc1ccccc1N[C@@H](C#N)C(C)C ZINC000041049479 175338483 /nfs/dbraw/zinc/33/84/83/175338483.db2.gz FTMIJJQHTDFUAT-NSHDSACASA-N 0 0 204.273 2.655 10 30 BFEERN COc1ccccc1[C@H](C#N)C(=O)CC(C)C ZINC000036931161 175350232 /nfs/dbraw/zinc/35/02/32/175350232.db2.gz BOAVQVVJJYLSBU-LBPRGKRZSA-N 0 0 231.295 2.918 10 30 BFEERN COc1ccccc1[C@H](C#N)NCCC(C)C ZINC000020173221 175351065 /nfs/dbraw/zinc/35/10/65/175351065.db2.gz XHVLEEDXWJBRAS-ZDUSSCGKSA-N 0 0 232.327 2.896 10 30 BFEERN C[C@@H](CC#N)[C@H](O)c1ccccc1Cl ZINC000049814654 175639367 /nfs/dbraw/zinc/63/93/67/175639367.db2.gz LAKDNWBVBIBHMC-KWQFWETISA-N 0 0 209.676 2.923 10 30 BFEERN C[C@@H](c1ccc(Cl)s1)[C@H](C#N)N(C)C ZINC000041250762 176014349 /nfs/dbraw/zinc/01/43/49/176014349.db2.gz LJPPTDGVHZCECU-SFYZADRCSA-N 0 0 228.748 2.959 10 30 BFEERN C[C@@H]1CCCC[C@@H]1N(C)c1cc(C#N)ccn1 ZINC000042610332 176078946 /nfs/dbraw/zinc/07/89/46/176078946.db2.gz RXFWURRKSVDLNG-YPMHNXCESA-N 0 0 229.327 2.968 10 30 BFEERN C[C@@H]1CCCC[C@@H]1Oc1ccccc1/C(N)=N/O ZINC000020076493 176082601 /nfs/dbraw/zinc/08/26/01/176082601.db2.gz HUQUQUFAGKRIPQ-PWSUYJOCSA-N 0 0 248.326 2.739 10 30 BFEERN C[C@@H]1CCCC[C@H]1Nc1ncc(N)cc1C#N ZINC000037758900 176089029 /nfs/dbraw/zinc/08/90/29/176089029.db2.gz NETWILIWINXQFH-BXKDBHETSA-N 0 0 230.315 2.526 10 30 BFEERN C[C@@H]1CCC[C@@H](C)N1C(=O)C1(C#N)CCCC1 ZINC000044765145 176114690 /nfs/dbraw/zinc/11/46/90/176114690.db2.gz DTKFEWJQEJEEPU-VXGBXAGGSA-N 0 0 234.343 2.860 10 30 BFEERN C[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC000067176070 176159605 /nfs/dbraw/zinc/15/96/05/176159605.db2.gz NDHOTKDFCPMGGW-ZJUUUORDSA-N 0 0 224.304 2.546 10 30 BFEERN C[C@@H]1C[C@H]1C(=O)NC1(C#N)CCCCCCC1 ZINC000040222092 176432326 /nfs/dbraw/zinc/43/23/26/176432326.db2.gz CHCDHPOKNUDAMG-VXGBXAGGSA-N 0 0 234.343 2.765 10 30 BFEERN C[C@H](C#N)N[C@@H]1CCCc2sccc21 ZINC000061362069 176555343 /nfs/dbraw/zinc/55/53/43/176555343.db2.gz BRJDVQFFQIADNO-PSASIEDQSA-N 0 0 206.314 2.627 10 30 BFEERN C[C@@H](NC[C@H](C)C#N)c1cccc(F)c1 ZINC000042207211 176553513 /nfs/dbraw/zinc/55/35/13/176553513.db2.gz JTLHIMNGISVRDN-NXEZZACHSA-N 0 0 206.264 2.636 10 30 BFEERN C[C@H](C#N)CN[C@@H]1CCCc2sccc21 ZINC000061329466 176554200 /nfs/dbraw/zinc/55/42/00/176554200.db2.gz PWMDYOYUJMHTBV-MWLCHTKSSA-N 0 0 220.341 2.875 10 30 BFEERN C[C@H](C#N)Nc1ccc(C#N)c(Cl)c1 ZINC000043514806 176555553 /nfs/dbraw/zinc/55/55/53/176555553.db2.gz WMJGOGRUINHIEP-SSDOTTSWSA-N 0 0 205.648 2.536 10 30 BFEERN C[C@H](CC1CC1)NC(=O)c1sccc1C#N ZINC000112608934 176612786 /nfs/dbraw/zinc/61/27/86/176612786.db2.gz MSBDGVOLWVJCEU-MRVPVSSYSA-N 0 0 234.324 2.538 10 30 BFEERN C[C@H](Nc1nccnc1C#N)c1cccs1 ZINC000054377307 176940314 /nfs/dbraw/zinc/94/03/14/176940314.db2.gz HOYIQUVGCPFJED-QMMMGPOBSA-N 0 0 230.296 2.583 10 30 BFEERN C[C@H](O)c1ccc(N(C)[C@@H](C)CC#N)c(F)c1 ZINC000103921477 177017592 /nfs/dbraw/zinc/01/75/92/177017592.db2.gz FRWOMRIRNUUUSX-UWVGGRQHSA-N 0 0 236.290 2.617 10 30 BFEERN C[C@H]1CCCC[C@H]1Oc1ccc(C#N)cn1 ZINC000019804554 177090377 /nfs/dbraw/zinc/09/03/77/177090377.db2.gz VHRVEAVBKSCQFQ-CMPLNLGQSA-N 0 0 216.284 2.911 10 30 BFEERN C[C@H]1CCC[C@H](C)N1/N=C/c1ccc(O)c(O)c1 ZINC000006587768 177130063 /nfs/dbraw/zinc/13/00/63/177130063.db2.gz YSLIHMORGMIAII-BVLLQVSASA-N 0 0 248.326 2.695 10 30 BFEERN C[C@H]1C[C@@H]1C(=O)NC1(C#N)CCCCCCC1 ZINC000040222090 177340434 /nfs/dbraw/zinc/34/04/34/177340434.db2.gz CHCDHPOKNUDAMG-RYUDHWBXSA-N 0 0 234.343 2.765 10 30 BFEERN C[C@H]1C[C@@H]1C(=O)Nc1cc(Cl)ccc1C#N ZINC000070268738 177340919 /nfs/dbraw/zinc/34/09/19/177340919.db2.gz UGMCPWLQZWUGME-XVKPBYJWSA-N 0 0 234.686 2.806 10 30 BFEERN C[C@H]1C[C@@H]1Nc1c(F)cc(C#N)cc1F ZINC000075721275 177350617 /nfs/dbraw/zinc/35/06/17/177350617.db2.gz ZMKCLVJHWCQHIR-WKEGUHRASA-N 0 0 208.211 2.657 10 30 BFEERN Cc1c(C)n([C@H](C)C(C)C)c(N)c1C#N ZINC000036938913 177556721 /nfs/dbraw/zinc/55/67/21/177556721.db2.gz KHRJZMLAQTWVEI-SECBINFHSA-N 0 0 205.305 2.776 10 30 BFEERN Cc1cc(C#N)cc(C)c1OC[C@@H](O)C(C)(C)C ZINC000302454626 229278537 /nfs/dbraw/zinc/27/85/37/229278537.db2.gz WCKYRWKNZRGOQH-CYBMUJFWSA-N 0 0 247.338 2.961 10 30 BFEERN CCCc1nn(C(CC)CC)c(N)c1C#N ZINC000087503595 259044866 /nfs/dbraw/zinc/04/48/66/259044866.db2.gz QQIMMZHCPDHFCG-UHFFFAOYSA-N 0 0 220.320 2.651 10 30 BFEERN C[C@@H]1CC[C@](O)(c2cccc(C#N)c2)C1 ZINC000521400474 262779235 /nfs/dbraw/zinc/77/92/35/262779235.db2.gz AALBEBAQAZROEY-ZWNOBZJWSA-N 0 0 201.269 2.566 10 30 BFEERN CCN(CCC#N)C(=O)[C@H]1C[C@@H]1c1ccccc1 ZINC000103209972 323245587 /nfs/dbraw/zinc/24/55/87/323245587.db2.gz XNYROOSVOSDSBP-KGLIPLIRSA-N 0 0 242.322 2.552 10 30 BFEERN C=C(C)CNC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000161276306 323485326 /nfs/dbraw/zinc/48/53/26/323485326.db2.gz WYTCTKCGSUZQJO-CHWSQXEVSA-N 0 0 221.344 2.895 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)N(C)c1cccc(C#N)c1 ZINC000230057094 324994034 /nfs/dbraw/zinc/99/40/34/324994034.db2.gz UWQOKKPYAKDJQO-BXUZGUMPSA-N 0 0 242.322 2.957 10 30 BFEERN C=C(C)CNC(=O)N1CCC[C@@H]1c1ccco1 ZINC000156349514 326228416 /nfs/dbraw/zinc/22/84/16/326228416.db2.gz QLGGACBMXFAMBT-LLVKDONJSA-N 0 0 234.299 2.702 10 30 BFEERN C=CCCNc1ccc2c(c1)CCN2C ZINC000757128193 582503147 /nfs/dbraw/zinc/50/31/47/582503147.db2.gz JLCUIZKURYTFHZ-UHFFFAOYSA-N 0 0 202.301 2.667 10 30 BFEERN C=C[C@H](C)N1C(=S)N=NC1CC(C)C ZINC000757131232 582506010 /nfs/dbraw/zinc/50/60/10/582506010.db2.gz OJCAJCDFMJEILF-QMMMGPOBSA-N 0 0 211.334 2.512 10 30 BFEERN CC(C)(C)CCC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000303251503 534577493 /nfs/dbraw/zinc/57/74/93/534577493.db2.gz MKDFWMBNQYXWED-MNOVXSKESA-N 0 0 222.332 2.621 10 30 BFEERN CCC[C@@H]1C[C@@H]1NC(=O)[C@@]1(C#N)CC12CCCC2 ZINC000333618511 535462579 /nfs/dbraw/zinc/46/25/79/535462579.db2.gz YALAYFKJHPAWTI-XUJVJEKNSA-N 0 0 246.354 2.765 10 30 BFEERN C=C(C)[C@H]1[C@H]2CC[C@](C)(O)[C@H](C)[C@]2(C)C[C@@H]1O ZINC000004098300 560195474 /nfs/dbraw/zinc/19/54/74/560195474.db2.gz CGKHVNUMMHTZJY-UMBPPFEGSA-N 0 0 238.371 2.747 10 30 in-vitro BFEERN C[C@]12CC[C@@H]3[C@H](CC3(C)C)C(=O)CC[C@@H]1O2 ZINC000013783690 574413351 /nfs/dbraw/zinc/41/33/51/574413351.db2.gz UETZJEZFLKASPR-QPPBUOOMSA-N 0 0 222.328 2.949 10 30 endogenous,in-man BFEERN CCCC(=O)OCC[C@H](S)CCC ZINC000014589058 574413551 /nfs/dbraw/zinc/41/35/51/574413551.db2.gz TZNJKOLXWHXDAF-SECBINFHSA-N 0 0 204.335 2.818 10 30 endogenous,in-man BFEERN COC(=O)[C@@]1(Cl)O[C@@]12CCCC(C)(C)CC2 ZINC000234585548 582460353 /nfs/dbraw/zinc/46/03/53/582460353.db2.gz ZPFYFHCYCDGNHS-VXGBXAGGSA-N 0 0 246.734 2.854 10 30 BFEERN C=C[C@H](C)N1C(=S)N=NC1c1ccccc1O ZINC000757131706 582506138 /nfs/dbraw/zinc/50/61/38/582506138.db2.gz OYHBBIWMUXBRMM-QMMMGPOBSA-N 0 0 247.323 2.686 10 30 BFEERN O=C1Nc2c(c(Cl)ccc2Cl)[C@H]1S ZINC000757159690 582541478 /nfs/dbraw/zinc/54/14/78/582541478.db2.gz UPKGXEJJBWHVRR-SSDOTTSWSA-N 0 0 234.107 2.916 10 30 BFEERN C[C@H](S)c1ccc(F)c([N+](=O)[O-])c1 ZINC000757160174 582541782 /nfs/dbraw/zinc/54/17/82/582541782.db2.gz KVULTMRPXYELNE-YFKPBYRVSA-N 0 0 201.222 2.725 10 30 BFEERN CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H](S)C1 ZINC000757162859 582545565 /nfs/dbraw/zinc/54/55/65/582545565.db2.gz JKQUYICPJRPHQY-NXEZZACHSA-N 0 0 245.388 3.000 10 30 BFEERN CC(C)[C@H](NC(=O)OC(C)(C)C)[C@H](C)S ZINC000757165512 582546602 /nfs/dbraw/zinc/54/66/02/582546602.db2.gz LRMWUJLJGUKYFZ-IUCAKERBSA-N 0 0 233.377 2.854 10 30 BFEERN O=[N+]([O-])c1ccc(Cl)c(CS)c1 ZINC000200512964 583140162 /nfs/dbraw/zinc/14/01/62/583140162.db2.gz ATBAFDBZTNQULI-UHFFFAOYSA-N 0 0 203.650 2.678 10 30 BFEERN CCOC(=O)[C@@H]1O[C@@]12CCC(C)(C)C[C@@H]2C ZINC000088133579 584907450 /nfs/dbraw/zinc/90/74/50/584907450.db2.gz ZPYGGEZPYUJRKM-OUJBWJOFSA-N 0 0 226.316 2.533 10 30 BFEERN C=C[C@@H](C)NC(=S)Nc1cccc(F)c1 ZINC000757131868 586426584 /nfs/dbraw/zinc/42/65/84/586426584.db2.gz AMTKTDQKMOWVQB-MRVPVSSYSA-N 0 0 224.304 2.687 10 30 BFEERN Cc1cc(C[C@@](C)(O)CC=O)ccc1Cl ZINC000757160850 586432058 /nfs/dbraw/zinc/43/20/58/586432058.db2.gz UEQHUHXWGQHAGV-LBPRGKRZSA-N 0 0 226.703 2.531 10 30 BFEERN O=[N+]([O-])c1ccc(Br)cc1CS ZINC000757162465 586432193 /nfs/dbraw/zinc/43/21/93/586432193.db2.gz HZXUROJJSOVIPD-UHFFFAOYSA-N 0 0 248.101 2.787 10 30 BFEERN Cc1nn(C2CCC(C)CC2)cc1C#N ZINC000757192612 586435860 /nfs/dbraw/zinc/43/58/60/586435860.db2.gz XLRSGRGPEMBCSC-UHFFFAOYSA-N 0 0 203.289 2.814 10 30 BFEERN CC(C)(C)COC(=O)c1ccc(C#N)cc1 ZINC000102144978 587807394 /nfs/dbraw/zinc/80/73/94/587807394.db2.gz QZJKRYNMOMCLHB-UHFFFAOYSA-N 0 0 217.268 2.761 10 30 BFEERN CC/C=C(/C)C(=O)OCC#Cc1ccccc1 ZINC000105761364 588221694 /nfs/dbraw/zinc/22/16/94/588221694.db2.gz ZXAMTFVDHFDGNM-JYRVWZFOSA-N 0 0 228.291 2.938 10 30 BFEERN CCCCCCC(=O)N[C@H]1CCC[C@H]1C#N ZINC000225119112 635399483 /nfs/dbraw/zinc/39/94/83/635399483.db2.gz JOPVOZHNJISXNX-RYUDHWBXSA-N 0 0 222.332 2.765 10 30 BFEERN CCCCCCCCOCC(=O)N[C@@H]1C[C@@H]1C ZINC000163445663 633057440 /nfs/dbraw/zinc/05/74/40/633057440.db2.gz UCVMUWDCNQHTJS-QWHCGFSZSA-N 0 0 241.375 2.888 10 30 BFEERN CCc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)s1 ZINC000061888294 641004578 /nfs/dbraw/zinc/00/45/78/641004578.db2.gz SKKPMVQUOZSINX-ONGXEEELSA-N 0 0 248.351 2.733 10 30 BFEERN CC(C)CN(CCC#N)C(=O)[C@@H]1CCC[C@@H]1C ZINC000230170735 641031613 /nfs/dbraw/zinc/03/16/13/641031613.db2.gz SIBKNDJSHZDDCG-QWHCGFSZSA-N 0 0 236.359 2.821 10 30 BFEERN C#CCCOC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000174058123 641232633 /nfs/dbraw/zinc/23/26/33/641232633.db2.gz CQXZVXUJTMGREG-OLZOCXBDSA-N 0 0 220.312 2.769 10 30 BFEERN CC[C@H](CC#N)OC(=O)Cc1cccc(F)c1 ZINC000187914131 641733746 /nfs/dbraw/zinc/73/37/46/641733746.db2.gz BWKXBOHWCRWDEA-GFCCVEGCSA-N 0 0 235.258 2.604 10 30 BFEERN C#C[C@@H](OC(=O)Cc1ccccc1Cl)C1CC1 ZINC000179544471 642727207 /nfs/dbraw/zinc/72/72/07/642727207.db2.gz KZIKULJPLSEYGZ-CYBMUJFWSA-N 0 0 248.709 2.838 10 30 BFEERN CCOc1cc2c(cc1CS)O[C@H](C)C2 ZINC000086895341 644266639 /nfs/dbraw/zinc/26/66/39/644266639.db2.gz YTYGBYXPXYIGOR-MRVPVSSYSA-N 0 0 224.325 2.839 10 30 BFEERN CSc1ccc(C(=O)C=C(C)O)cc1 ZINC000198668852 644451298 /nfs/dbraw/zinc/45/12/98/644451298.db2.gz CQJJWOQQQAZRDK-YRNVUSSQSA-N 0 0 208.282 2.896 10 30 BFEERN CC1(C)CCc2cc(C#N)c(Cl)nc21 ZINC000086866033 644471573 /nfs/dbraw/zinc/47/15/73/644471573.db2.gz VBQZZZMWBAHYCL-UHFFFAOYSA-N 0 0 206.676 2.830 10 30 BFEERN C[C@H](OC(=O)[C@H]1C[C@H]1C1CC1)C(C)(C)C#N ZINC000245552540 644532164 /nfs/dbraw/zinc/53/21/64/644532164.db2.gz PVHSSSZAFSPKFL-LSJOCFKGSA-N 0 0 221.300 2.514 10 30 BFEERN C[C@@H](OC(=O)Cc1cccc(F)c1)C(C)(C)C#N ZINC000178813501 711764825 /nfs/dbraw/zinc/76/48/25/711764825.db2.gz BLZZRUZTSDNUIG-SNVBAGLBSA-N 0 0 249.285 2.850 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)/C=C\c1cccs1 ZINC000701157226 712017116 /nfs/dbraw/zinc/01/71/16/712017116.db2.gz JODCOURJWVHITE-ZHLQDTFKSA-N 0 0 246.335 2.570 10 30 BFEERN CSC1CC(Nc2nc(C)cc(C)c2C#N)C1 ZINC000708272789 712184624 /nfs/dbraw/zinc/18/46/24/712184624.db2.gz FTRLRHPKHXYPCR-UHFFFAOYSA-N 0 0 247.367 2.876 10 30 BFEERN O=C(/C=C\c1cocn1)c1cccs1 ZINC000588578337 958360447 /nfs/dbraw/zinc/36/04/47/958360447.db2.gz JBXHWAJTVHIDHE-ARJAWSKDSA-N 0 0 205.238 2.632 10 30 BFEERN C/C(=C/C(=O)O[C@H](C#N)C(C)(C)C)C1CC1 ZINC000588470097 958700551 /nfs/dbraw/zinc/70/05/51/958700551.db2.gz RYYJZCFJWGVFBQ-GXMKHXEJSA-N 0 0 221.300 2.824 10 30 BFEERN Cc1cncc(C(=O)/C=C\c2cccnc2C)c1 ZINC000588476532 958718876 /nfs/dbraw/zinc/71/88/76/958718876.db2.gz HMOXMPYCMWHXDP-WAYWQWQTSA-N 0 0 238.290 2.990 10 30 BFEERN C=C[C@@H](C)OC(=O)/C=C\c1ncccc1C ZINC000588539819 959021613 /nfs/dbraw/zinc/02/16/13/959021613.db2.gz UULWZIHHNAFJCV-SKVAFPRGSA-N 0 0 217.268 2.521 10 30 BFEERN CC[C@H](CC#N)OC(=O)/C=C\c1ncccc1C ZINC000588558296 959169464 /nfs/dbraw/zinc/16/94/64/959169464.db2.gz WXTAGIGIMQQJHS-ZHRWSRJISA-N 0 0 244.294 2.639 10 30 BFEERN CC[C@@H](CC#N)OC(=O)/C=C\C(C)(C)C ZINC000588558032 959171432 /nfs/dbraw/zinc/17/14/32/959171432.db2.gz SCOSYHCHVXPLDH-ZEBCKKTISA-N 0 0 209.289 2.824 10 30 BFEERN COc1ccc(C(=O)/C=C\c2cocn2)cc1F ZINC000588561375 959177100 /nfs/dbraw/zinc/17/71/00/959177100.db2.gz AZMNCNSLWJOFSQ-ARJAWSKDSA-N 0 0 247.225 2.718 10 30 BFEERN COc1ccc(C)cc1C(=O)/C=C\c1cocn1 ZINC000588561456 959177675 /nfs/dbraw/zinc/17/76/75/959177675.db2.gz VVORZVRSUJQVFX-PLNGDYQASA-N 0 0 243.262 2.888 10 30 BFEERN O=C(/C=C\c1cocn1)c1ccc(Cl)nc1 ZINC000588580223 959350903 /nfs/dbraw/zinc/35/09/03/959350903.db2.gz XHWZURUXZPAFNX-IHWYPQMZSA-N 0 0 234.642 2.619 10 30 BFEERN COc1cc(C(=O)/C=C\c2cocn2)ccc1F ZINC000588580112 959350923 /nfs/dbraw/zinc/35/09/23/959350923.db2.gz UREUQBWRRZGPOX-HYXAFXHYSA-N 0 0 247.225 2.718 10 30 BFEERN CC(C)(C)/C=C\C(=O)OCC(C)(C)C#N ZINC000588419292 960039029 /nfs/dbraw/zinc/03/90/29/960039029.db2.gz YVEGFXDBZMBCNE-SREVYHEPSA-N 0 0 209.289 2.682 10 30 BFEERN C/C=C(/C)C(=O)OCC(C)(C)CCC#N ZINC000588616815 960115667 /nfs/dbraw/zinc/11/56/67/960115667.db2.gz NWDBEUJLJWRUBQ-YHYXMXQVSA-N 0 0 209.289 2.826 10 30 BFEERN CCCCCCC[N@H+](C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693023091 976568514 /nfs/dbraw/zinc/56/85/14/976568514.db2.gz JUHFHGSSIXGNFU-TXEJJXNPSA-N 0 0 227.348 2.752 10 30 BFEERN C#C[C@@H]([NH2+]Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000705275724 977271686 /nfs/dbraw/zinc/27/16/86/977271686.db2.gz HMXIBZWSYOFOGQ-CYBMUJFWSA-N 0 0 245.322 2.522 10 30 BFEERN CC(C)(C)OC(=O)C#CC(C)(C)C1CC1 ZINC000685954081 538898385 /nfs/dbraw/zinc/89/83/85/538898385.db2.gz RYZQYKFUTABCJE-UHFFFAOYSA-N 0 0 208.301 2.768 10 30 BFEERN CCN(CC#N)Cc1ccc2ccccc2n1 ZINC000045060608 136209466 /nfs/dbraw/zinc/20/94/66/136209466.db2.gz QSNDNXSQDTZTIT-UHFFFAOYSA-N 0 0 225.295 2.580 10 30 BFEERN CCC1(C=O)CCN(C(=O)OC(C)(C)C)CC1 ZINC000014984810 136208297 /nfs/dbraw/zinc/20/82/97/136208297.db2.gz GRWTYLMQRNNKJE-UHFFFAOYSA-N 0 0 241.331 2.613 10 30 BFEERN C=CC[C@H](C)n1cc2ccc(N)cc2n1 ZINC000685965747 538912415 /nfs/dbraw/zinc/91/24/15/538912415.db2.gz RDZDOUVEIBUHMJ-VIFPVBQESA-N 0 0 201.273 2.756 10 30 BFEERN C=CCCCn1cc2ccc(N)cc2n1 ZINC000685965889 538912510 /nfs/dbraw/zinc/91/25/10/538912510.db2.gz XYBDRDGYRVYVDF-UHFFFAOYSA-N 0 0 201.273 2.585 10 30 BFEERN Cc1cc(N(C)c2ccc(C#N)cc2)nc(C)n1 ZINC000061957082 178102799 /nfs/dbraw/zinc/10/27/99/178102799.db2.gz BNVQZSMUYKHIKF-UHFFFAOYSA-N 0 0 238.294 2.733 10 30 BFEERN CC[C@]1(C#N)COc2c(C)ccc(C)c2O1 ZINC000536954064 398197904 /nfs/dbraw/zinc/19/79/04/398197904.db2.gz JYRKGYFTAZCESV-ZDUSSCGKSA-N 0 0 217.268 2.747 10 30 BFEERN Cc1cc(NC(=O)[C@H](C#N)C(C)C)ccc1F ZINC000061119596 178146799 /nfs/dbraw/zinc/14/67/99/178146799.db2.gz HOLMUYLFKGZADL-LLVKDONJSA-N 0 0 234.274 2.868 10 30 BFEERN Cc1nn(C)c(Nc2ccc(F)c(C)c2)c1C#N ZINC000104327001 178192085 /nfs/dbraw/zinc/19/20/85/178192085.db2.gz LVSGXOZMHGYKCA-UHFFFAOYSA-N 0 0 244.273 2.791 10 30 BFEERN Cc1cc([C@@H](C#N)NC(C)C)cc(C)c1O ZINC000034973796 178219891 /nfs/dbraw/zinc/21/98/91/178219891.db2.gz KNLSIOIISAMIBV-GFCCVEGCSA-N 0 0 218.300 2.572 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@@]1(C)CC1CCC1 ZINC000229762733 538941178 /nfs/dbraw/zinc/94/11/78/538941178.db2.gz JQCQVUZUAQGTNM-STQMWFEESA-N 0 0 226.316 2.533 10 30 BFEERN N#Cc1ccc(F)c(CN2C[C@H]3CCC[C@@H]32)c1 ZINC000335837394 398245264 /nfs/dbraw/zinc/24/52/64/398245264.db2.gz HFEOXHVUFBDLGX-RISCZKNCSA-N 0 0 230.286 2.682 10 30 BFEERN Cc1ccc(-c2cc(C)nc(N)c2C#N)cc1 ZINC000035279668 178318791 /nfs/dbraw/zinc/31/87/91/178318791.db2.gz UXSCJDUNZAVSEO-UHFFFAOYSA-N 0 0 223.279 2.819 10 30 BFEERN CCC(CC)N(C)C(=O)c1cccc(C#N)c1 ZINC000035208013 168367363 /nfs/dbraw/zinc/36/73/63/168367363.db2.gz WSZZMOFRZHTZLC-UHFFFAOYSA-N 0 0 230.311 2.819 10 30 BFEERN Cc1ccc(/C=C\C(=O)c2ccc[nH]2)o1 ZINC000033458250 178357723 /nfs/dbraw/zinc/35/77/23/178357723.db2.gz WFNWCLALQXXXPA-SREVYHEPSA-N 0 0 201.225 2.812 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@@]12CCC[C@@H](C(C)C)C2 ZINC000231019628 538952060 /nfs/dbraw/zinc/95/20/60/538952060.db2.gz JOWIEFUXIFMCRE-JLLWLGSASA-N 0 0 246.734 2.710 10 30 BFEERN C#CC[C@H](O)Cc1ccc(Cl)cc1Cl ZINC000051074422 346827258 /nfs/dbraw/zinc/82/72/58/346827258.db2.gz OMLXOLCQGUUHRG-JTQLQIEISA-N 0 0 229.106 2.920 10 30 BFEERN C=C(C)C(=O)O[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000144119095 342700011 /nfs/dbraw/zinc/70/00/11/342700011.db2.gz VGOGDAILWQCKBV-VIFPVBQESA-N 0 0 235.239 2.775 10 30 BFEERN CC#C[C@H](O)c1csc2ccccc12 ZINC000306647632 361843446 /nfs/dbraw/zinc/84/34/46/361843446.db2.gz DPJDIERYIKKERI-NSHDSACASA-N 0 0 202.278 2.958 10 30 BFEERN C=CCc1cccc2nc(CC(=O)OC)ccc12 ZINC000144725596 342748965 /nfs/dbraw/zinc/74/89/65/342748965.db2.gz ZQBMKMZGWKGAHQ-UHFFFAOYSA-N 0 0 241.290 2.679 10 30 BFEERN N#CC1(N2CCC(F)CC2)CCCCC1 ZINC000145594193 342761165 /nfs/dbraw/zinc/76/11/65/342761165.db2.gz NKVSOGBZVJTFKK-UHFFFAOYSA-N 0 0 210.296 2.647 10 30 BFEERN C#C[C@H](O)CCc1ccc2ccccc2c1 ZINC000145862580 342763796 /nfs/dbraw/zinc/76/37/96/342763796.db2.gz TZWLNYYYNMRBEV-HNNXBMFYSA-N 0 0 210.276 2.767 10 30 BFEERN C=CCc1cc2c(c(SC)c1OC)OCO2 ZINC000146788760 342771938 /nfs/dbraw/zinc/77/19/38/342771938.db2.gz WZLHHVIMUPUVOP-UHFFFAOYSA-N 0 0 238.308 2.874 10 30 BFEERN O=C(C#Cc1ccccc1)c1ccsc1 ZINC000147281929 342774300 /nfs/dbraw/zinc/77/43/00/342774300.db2.gz YTASVAGWFMEFHS-UHFFFAOYSA-N 0 0 212.273 2.983 10 30 BFEERN C=CCCC(=O)c1cccc(C(=O)OC)c1 ZINC000148019113 342787629 /nfs/dbraw/zinc/78/76/29/342787629.db2.gz HXCUTXDIOYMIJT-UHFFFAOYSA-N 0 0 218.252 2.622 10 30 BFEERN N#C[C@@]1(Cc2ccccc2)CCCCC1=O ZINC000083776593 398285127 /nfs/dbraw/zinc/28/51/27/398285127.db2.gz LKWLBDZDUDCALL-AWEZNQCLSA-N 0 0 213.280 2.882 10 30 BFEERN N#C[C@@]1(Cc2ccc(F)cc2)CCCC1=O ZINC000083776723 398285350 /nfs/dbraw/zinc/28/53/50/398285350.db2.gz DESPVLOOVFWUNZ-ZDUSSCGKSA-N 0 0 217.243 2.631 10 30 BFEERN C[C@H](NCC#N)c1ccccc1Br ZINC000088162715 398293830 /nfs/dbraw/zinc/29/38/30/398293830.db2.gz GMKOGCNHSDQQSK-QMMMGPOBSA-N 0 0 239.116 2.623 10 30 BFEERN C[C@@]1(C23CC4CC(CC(C4)C2)C3)O[C@@H]1C#N ZINC000380520200 538990409 /nfs/dbraw/zinc/99/04/09/538990409.db2.gz XBLPMISOCXOIBN-RJXQLHFOSA-N 0 0 217.312 2.884 10 30 BFEERN C[C@H]1CCC[C@]1(O)c1ccccc1C#N ZINC000521401504 488182305 /nfs/dbraw/zinc/18/23/05/488182305.db2.gz IQHJMOKJXKFJBL-GXFFZTMASA-N 0 0 201.269 2.566 10 30 BFEERN CC[C@H](C#N)N[C@H](C)c1ccccc1OC ZINC000088162772 398294046 /nfs/dbraw/zinc/29/40/46/398294046.db2.gz MVBTVFPIRLJBBX-GHMZBOCLSA-N 0 0 218.300 2.648 10 30 BFEERN N#Cc1ccc(-n2nc3c(c2Cl)CCC3)cc1 ZINC000091585405 398294200 /nfs/dbraw/zinc/29/42/00/398294200.db2.gz CNNZPLZQCRZPOP-UHFFFAOYSA-N 0 0 243.697 2.886 10 30 BFEERN CCO/C=C1\CCc2sccc2C1=O ZINC000214813837 342878527 /nfs/dbraw/zinc/87/85/27/342878527.db2.gz DPVFCILJCZSBBR-BQYQJAHWSA-N 0 0 208.282 2.797 10 30 BFEERN N#Cc1cccc(C(=O)C(F)(F)C(F)(F)F)c1 ZINC000575243240 398303912 /nfs/dbraw/zinc/30/39/12/398303912.db2.gz YCJLQLBJGNVUBH-UHFFFAOYSA-N 0 0 249.138 2.939 10 30 BFEERN CC[C@@H](C)C(=O)c1ccc(C#N)c(F)c1 ZINC000308778143 342870597 /nfs/dbraw/zinc/87/05/97/342870597.db2.gz BHBMVHXZEYSTPV-MRVPVSSYSA-N 0 0 205.232 2.926 10 30 BFEERN C/C=C\C(=O)c1cc(F)c(OC)cc1F ZINC000308780757 342870709 /nfs/dbraw/zinc/87/07/09/342870709.db2.gz CMPAQPPSYWOLBE-ARJAWSKDSA-N 0 0 212.195 2.732 10 30 BFEERN CC(C)=CC(=O)c1cccc(F)c1C#N ZINC000308801264 342872144 /nfs/dbraw/zinc/87/21/44/342872144.db2.gz LCTFULQUKGDJMD-UHFFFAOYSA-N 0 0 203.216 2.846 10 30 BFEERN C[C@@H](CNc1cnc(C#N)cn1)c1ccsc1 ZINC000126082258 398318063 /nfs/dbraw/zinc/31/80/63/398318063.db2.gz IILLVXWTCLMVMJ-VIFPVBQESA-N 0 0 244.323 2.625 10 30 BFEERN N#CCc1csc(-c2cccs2)n1 ZINC000060143513 342910563 /nfs/dbraw/zinc/91/05/63/342910563.db2.gz MQRFJSUDULRYDU-UHFFFAOYSA-N 0 0 206.295 2.938 10 30 BFEERN CC[C@@H](C)c1noc(-c2ccc(C#N)cn2)n1 ZINC000233876684 342913370 /nfs/dbraw/zinc/91/33/70/342913370.db2.gz AQJLHFUAVAQTNW-MRVPVSSYSA-N 0 0 228.255 2.517 10 30 BFEERN COc1cccc(OC(F)(F)F)c1CC#N ZINC000309186850 342904422 /nfs/dbraw/zinc/90/44/22/342904422.db2.gz GUTQVRGBRCQWMZ-UHFFFAOYSA-N 0 0 231.173 2.660 10 30 BFEERN N#CCOc1ccc2c(c1)[nH]c1ncccc21 ZINC000116592480 342929633 /nfs/dbraw/zinc/92/96/33/342929633.db2.gz YGZNPWCXAADBIG-UHFFFAOYSA-N 0 0 223.235 2.618 10 30 BFEERN Cc1ccc(C)c(C=NNC(=S)NC(C)C)c1 ZINC000008693853 178463139 /nfs/dbraw/zinc/46/31/39/178463139.db2.gz YBCONZVUKUFMEV-RIYZIHGNSA-N 0 0 249.383 2.921 10 30 BFEERN CNc1c(C#N)cnc2ccc(Cl)cc21 ZINC000050842399 398342368 /nfs/dbraw/zinc/34/23/68/398342368.db2.gz MZDSJPNQEIJYIZ-UHFFFAOYSA-N 0 0 217.659 2.802 10 30 BFEERN C#CCC(=O)c1ccc(F)cc1Br ZINC000167706661 346900495 /nfs/dbraw/zinc/90/04/95/346900495.db2.gz WBKIAXCXNLQMMI-UHFFFAOYSA-N 0 0 241.059 2.794 10 30 BFEERN C#CCC(=O)c1ccc(Br)cc1C ZINC000167714347 346904599 /nfs/dbraw/zinc/90/45/99/346904599.db2.gz VIVMIJGTCZZNDW-UHFFFAOYSA-N 0 0 237.096 2.964 10 30 BFEERN C[C@]1(C(=O)C2=CCCCO2)CCCS1 ZINC000167726993 346910419 /nfs/dbraw/zinc/91/04/19/346910419.db2.gz NRKPBPXMFTZYJK-LLVKDONJSA-N 0 0 212.314 2.536 10 30 BFEERN C=CC[C@@H](CCc1ccccc1)NC(=O)OC ZINC000036405731 342992747 /nfs/dbraw/zinc/99/27/47/342992747.db2.gz VJXOABLGMIJUOE-ZDUSSCGKSA-N 0 0 233.311 2.920 10 30 BFEERN C[C@H](O)C#Cc1ccc(Oc2ccc(F)cc2)o1 ZINC000138637353 342980486 /nfs/dbraw/zinc/98/04/86/342980486.db2.gz YOCOHNYADVILHM-JTQLQIEISA-N 0 0 246.237 2.943 10 30 BFEERN C=CC[C@H](COCc1ccccc1)OC/C=N/O ZINC000117575374 343007406 /nfs/dbraw/zinc/00/74/06/343007406.db2.gz RFIODJCRBOZUOP-UWZYDCLUSA-N 0 0 249.310 2.625 10 30 BFEERN N#Cc1cc(Oc2cccnc2)cc([N+](=O)[O-])c1 ZINC000117828630 343018447 /nfs/dbraw/zinc/01/84/47/343018447.db2.gz HJUNCMWBXOYRCL-UHFFFAOYSA-N 0 0 241.206 2.654 10 30 BFEERN CC1(C)CC[N@H+](CC2(C#N)CCC2)CCS1 ZINC000336271708 136263733 /nfs/dbraw/zinc/26/37/33/136263733.db2.gz MRSYXIAQMNSCSG-UHFFFAOYSA-N 0 0 238.400 2.898 10 30 BFEERN CCC(F)(F)CN[C@H]1CCCC[C@@H]1C#N ZINC000602882847 349791865 /nfs/dbraw/zinc/79/18/65/349791865.db2.gz FTQNJHSXPAJNDI-ZJUUUORDSA-N 0 0 216.275 2.704 10 30 BFEERN C[C@@H](C#N)CC(=O)c1cc(F)ccc1F ZINC000043368226 343057924 /nfs/dbraw/zinc/05/79/24/343057924.db2.gz CVGYAGQTMQKEMT-SSDOTTSWSA-N 0 0 209.195 2.697 10 30 BFEERN COC(=O)CCCCCc1ccc(C#N)cc1 ZINC000140056554 343070098 /nfs/dbraw/zinc/07/00/98/343070098.db2.gz KFUZOMBIUYEQBA-UHFFFAOYSA-N 0 0 231.295 2.834 10 30 BFEERN N#Cc1ccc(Oc2cccc(CO)c2)cc1 ZINC000043475610 343087162 /nfs/dbraw/zinc/08/71/62/343087162.db2.gz VTMHBWLXFTWTRR-UHFFFAOYSA-N 0 0 225.247 2.843 10 30 BFEERN N#Cc1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000306670152 362032187 /nfs/dbraw/zinc/03/21/87/362032187.db2.gz CEDOWOUXFSKVFF-UHFFFAOYSA-N 0 0 217.011 2.773 10 30 BFEERN CCCCC[C@H](O)C#Cc1ccccc1 ZINC000038251873 343091323 /nfs/dbraw/zinc/09/13/23/343091323.db2.gz JBJAJZJFCYUITH-AWEZNQCLSA-N 0 0 202.297 2.979 10 30 BFEERN CC(=O)CCc1c[nH]c2ccc(C#N)cc12 ZINC000038283863 343091627 /nfs/dbraw/zinc/09/16/27/343091627.db2.gz JQUPSJZCNLQGNR-UHFFFAOYSA-N 0 0 212.252 2.561 10 30 BFEERN O=C1c2cccc(O)c2C/C1=C\c1ccncc1 ZINC000013736275 343102622 /nfs/dbraw/zinc/10/26/22/343102622.db2.gz BQBDUNUCJDXMNP-DHZHZOJOSA-N 0 0 237.258 2.610 10 30 BFEERN C[C@@H](C#N)Sc1c(N)cccc1Cl ZINC000043516642 343117979 /nfs/dbraw/zinc/11/79/79/343117979.db2.gz VJDIOLKQAZOARO-LURJTMIESA-N 0 0 212.705 2.926 10 30 BFEERN C[C@@H](C#N)Sc1ccc([N+](=O)[O-])cc1 ZINC000043522794 343125760 /nfs/dbraw/zinc/12/57/60/343125760.db2.gz ICUJPHCOWTWYFD-ZETCQYMHSA-N 0 0 208.242 2.599 10 30 BFEERN CC(C)(C)c1cc(C#N)nc(C2CC2)n1 ZINC000261166017 343132667 /nfs/dbraw/zinc/13/26/67/343132667.db2.gz YTGJKXYHWPURRC-UHFFFAOYSA-N 0 0 201.273 2.523 10 30 BFEERN CC(C)Cc1ccc(-n2ccnc2)c(C#N)c1 ZINC000165262579 343139235 /nfs/dbraw/zinc/13/92/35/343139235.db2.gz BOQFAOKHBYAREF-UHFFFAOYSA-N 0 0 225.295 2.942 10 30 BFEERN COc1ccc(C#Cc2cccc(O)c2)cc1 ZINC000165772212 343229130 /nfs/dbraw/zinc/22/91/30/343229130.db2.gz GWEOSAXOQYMOHS-UHFFFAOYSA-N 0 0 224.259 2.801 10 30 BFEERN N#CCc1ncc(Cl)cc1OC(F)(F)F ZINC000238530317 343256864 /nfs/dbraw/zinc/25/68/64/343256864.db2.gz SSUBPNNRRHAEDK-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN CC(=O)O[C@H](C)/C=C/C#Cc1ccccc1 ZINC000034423821 343270782 /nfs/dbraw/zinc/27/07/82/343270782.db2.gz UTUYKFPPWNRDND-WAFBPQNNSA-N 0 0 214.264 2.546 10 30 BFEERN CC(C)(C=O)Oc1ccc(Br)cc1 ZINC000034496553 343273499 /nfs/dbraw/zinc/27/34/99/343273499.db2.gz UXKQAUYHEZXNII-UHFFFAOYSA-N 0 0 243.100 2.805 10 30 BFEERN O=C(C#Cc1ccccc1)C(F)(F)C(F)F ZINC000309350449 343302812 /nfs/dbraw/zinc/30/28/12/343302812.db2.gz CXOKLFOQVGHPSK-UHFFFAOYSA-N 0 0 230.160 2.508 10 30 BFEERN SCCCN1CSc2ccccc21 ZINC000039118929 343385483 /nfs/dbraw/zinc/38/54/83/343385483.db2.gz FXVLGFJDHSEVTE-UHFFFAOYSA-N 0 0 211.355 2.876 10 30 BFEERN CN(C)c1ccc(/C=N\c2ccc(O)cc2)o1 ZINC000039126952 343386376 /nfs/dbraw/zinc/38/63/76/343386376.db2.gz CWNVXURESMJFCB-ZROIWOOFSA-N 0 0 230.267 2.802 10 30 BFEERN C#Cc1ccc(OCCCc2[nH]cnc2C)cc1 ZINC000201646424 343389628 /nfs/dbraw/zinc/38/96/28/343389628.db2.gz JXPSCPPOLRBBFC-UHFFFAOYSA-N 0 0 240.306 2.711 10 30 BFEERN C=C[C@@H](C)OCC(=O)c1ccccc1F ZINC000148235987 343390434 /nfs/dbraw/zinc/39/04/34/343390434.db2.gz MUVYPGHGENGYEB-SECBINFHSA-N 0 0 208.232 2.600 10 30 BFEERN CCC#CCOc1cc(C)c(C=O)c(C)c1 ZINC000148664141 343393843 /nfs/dbraw/zinc/39/38/43/343393843.db2.gz UFCKRVJFTSUXKU-UHFFFAOYSA-N 0 0 216.280 2.908 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1ccc(F)cc1F ZINC000054829041 136372946 /nfs/dbraw/zinc/37/29/46/136372946.db2.gz YLWYBYZUJMHLGA-NOZJJQNGSA-N 0 0 236.265 2.747 10 30 BFEERN C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C#N)c2)[C@H]1C ZINC000274231192 136375284 /nfs/dbraw/zinc/37/52/84/136375284.db2.gz QSCUAVMOWNWJEL-ZJUUUORDSA-N 0 0 245.282 2.701 10 30 BFEERN CCOc1ccc(C#N)c(OC(C)C)c1 ZINC000045805655 343534581 /nfs/dbraw/zinc/53/45/81/343534581.db2.gz KZAUKTKXSZZHDM-UHFFFAOYSA-N 0 0 205.257 2.744 10 30 BFEERN CCOC(=O)C(F)(F)c1ccc(C#N)cc1C ZINC000210533199 343546888 /nfs/dbraw/zinc/54/68/88/343546888.db2.gz YPBAFCPTVOGRGB-UHFFFAOYSA-N 0 0 239.221 2.522 10 30 BFEERN N#CC(C#N)Cc1c(F)c(F)c(F)c(F)c1F ZINC000167661424 343601837 /nfs/dbraw/zinc/60/18/37/343601837.db2.gz AMDMWNFTQDILEK-UHFFFAOYSA-N 0 0 246.138 2.588 10 30 BFEERN CC(C)n1ncc(CC#N)c1C(F)(F)F ZINC000205596528 343634783 /nfs/dbraw/zinc/63/47/83/343634783.db2.gz YTUDRDYVYFHUNW-UHFFFAOYSA-N 0 0 217.194 2.549 10 30 BFEERN CCOC(=O)[C@@H]1O[C@]12CCC[C@H](C(C)C)C2 ZINC000300237522 537814543 /nfs/dbraw/zinc/81/45/43/537814543.db2.gz ZTLXDOPHPFVEAQ-GVXVVHGQSA-N 0 0 226.316 2.533 10 30 BFEERN Cc1[nH]nc(-c2ccccc2)c1CCC#N ZINC000409441052 343855107 /nfs/dbraw/zinc/85/51/07/343855107.db2.gz PPWJWJNDPZDHOT-UHFFFAOYSA-N 0 0 211.268 2.841 10 30 BFEERN N#CCc1cn(CCF)nc1-c1ccsc1 ZINC000409437181 343842421 /nfs/dbraw/zinc/84/24/21/343842421.db2.gz FEBAKNNIJIMVSK-UHFFFAOYSA-N 0 0 235.287 2.647 10 30 BFEERN C#CCn1nc(-c2cccnc2)cc1C(C)C ZINC000409438405 343843818 /nfs/dbraw/zinc/84/38/18/343843818.db2.gz DEZAQWRSRCZHGX-UHFFFAOYSA-N 0 0 225.295 2.702 10 30 BFEERN CC(C)(C)C#Cc1ccc(C2CC2)nn1 ZINC000585143807 343878575 /nfs/dbraw/zinc/87/85/75/343878575.db2.gz NRIQTRQPUSUQCL-UHFFFAOYSA-N 0 0 200.285 2.752 10 30 BFEERN Cc1cc(C#Cc2ccccc2)ncc1F ZINC000585144868 343880087 /nfs/dbraw/zinc/88/00/87/343880087.db2.gz KYONSLYNOQTSKS-UHFFFAOYSA-N 0 0 211.239 2.929 10 30 BFEERN CC(C)n1nc(-c2ccncc2)cc1CC#N ZINC000409443046 343865548 /nfs/dbraw/zinc/86/55/48/343865548.db2.gz FZIPGVARWTXFHK-UHFFFAOYSA-N 0 0 226.283 2.592 10 30 BFEERN CN(C)[C@@H](C#N)c1ccc(F)cc1Cl ZINC000234285101 343936385 /nfs/dbraw/zinc/93/63/85/343936385.db2.gz KFLUJZFLTOAEDP-JTQLQIEISA-N 0 0 212.655 2.605 10 30 BFEERN C#CC(C)(C)Oc1cccc(Cl)c1C=O ZINC000135120082 343937240 /nfs/dbraw/zinc/93/72/40/343937240.db2.gz QSKQJNWSSYMMIR-UHFFFAOYSA-N 0 0 222.671 2.943 10 30 BFEERN C=CC[C@@H](CC)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000393731338 343922190 /nfs/dbraw/zinc/92/21/90/343922190.db2.gz AYZWMNKDQSDKHY-WRWGMCAJSA-N 0 0 207.317 2.503 10 30 BFEERN COc1c(Br)ccc(F)c1CC#N ZINC000217431746 347017171 /nfs/dbraw/zinc/01/71/71/347017171.db2.gz HEOSYHKOKMYMCP-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN C[C@@H](O)c1ccc(S[C@@H](C)C#N)cc1 ZINC000070621266 343953588 /nfs/dbraw/zinc/95/35/88/343953588.db2.gz SZKCBNGUJMCFJL-DTWKUNHWSA-N 0 0 207.298 2.744 10 30 BFEERN Nc1ccc(C(=O)C2=CCCCC2)cc1 ZINC000070671463 343954027 /nfs/dbraw/zinc/95/40/27/343954027.db2.gz LJHJTJIHAKCDPN-UHFFFAOYSA-N 0 0 201.269 2.952 10 30 BFEERN CO[C@@H](C#N)c1ccc(F)cc1Br ZINC000234722318 344231770 /nfs/dbraw/zinc/23/17/70/344231770.db2.gz MHYXOHSTIQBMEU-VIFPVBQESA-N 0 0 244.063 2.799 10 30 BFEERN N#Cc1cc(C(F)F)c(OC(F)(F)F)cn1 ZINC000309555341 344237874 /nfs/dbraw/zinc/23/78/74/344237874.db2.gz MFNYEZDDHDJSMD-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN C=CCCn1cc2c(c1)C(=O)CCCC2 ZINC000135381406 344245129 /nfs/dbraw/zinc/24/51/29/344245129.db2.gz BUFJMLNGLOYXLR-UHFFFAOYSA-N 0 0 203.285 2.973 10 30 BFEERN Cn1nc(-c2ccccc2)c2sc(C#N)nc21 ZINC000219098213 344264361 /nfs/dbraw/zinc/26/43/61/344264361.db2.gz UOLKOOAGBRBKFX-UHFFFAOYSA-N 0 0 240.291 2.568 10 30 BFEERN C=C(C)C(=O)c1ccc(N)c(Br)c1 ZINC000135420228 344269394 /nfs/dbraw/zinc/26/93/94/344269394.db2.gz HOODOSQRGRKBLG-UHFFFAOYSA-N 0 0 240.100 2.790 10 30 BFEERN C=CC(=O)c1cc(Cl)cc2c1OCC2 ZINC000236075981 344294854 /nfs/dbraw/zinc/29/48/54/344294854.db2.gz HBFUHFWDHHAKSI-UHFFFAOYSA-N 0 0 208.644 2.644 10 30 BFEERN C#CC[C@H](NN)c1cc(Cl)sc1Cl ZINC000236284275 344333459 /nfs/dbraw/zinc/33/34/59/344333459.db2.gz BNFWPJIOXAGXJY-LURJTMIESA-N 0 0 235.139 2.583 10 30 BFEERN C#CCSc1nc2ccc(N)cc2s1 ZINC000045237415 166204041 /nfs/dbraw/zinc/20/40/41/166204041.db2.gz RMFHLGNXYZQZGF-UHFFFAOYSA-N 0 0 220.322 2.604 10 30 BFEERN C[Si](C)(C)CNc1cccc(C#N)c1 ZINC000306675751 344385745 /nfs/dbraw/zinc/38/57/45/344385745.db2.gz UGJSBLWFDFTCME-UHFFFAOYSA-N 0 0 204.349 2.848 10 30 BFEERN C=C(C)CNc1cc(Cl)nnc1Cl ZINC000143088170 344398729 /nfs/dbraw/zinc/39/87/29/344398729.db2.gz PDGZANOWPZMPKF-UHFFFAOYSA-N 0 0 218.087 2.771 10 30 BFEERN CCOc1cc(CC#N)cc(OCC)c1OCC ZINC000037628344 344405600 /nfs/dbraw/zinc/40/56/00/344405600.db2.gz LPEMOXMLLRLHCT-UHFFFAOYSA-N 0 0 249.310 2.949 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1NCc1cccc(F)c1 ZINC000054824659 344456447 /nfs/dbraw/zinc/45/64/47/344456447.db2.gz HOWBTQQXNSEIJP-GXTWGEPZSA-N 0 0 232.302 2.998 10 30 BFEERN N#C[C@H]1CCCC[C@H]1NCc1ccccc1F ZINC000054824087 344457670 /nfs/dbraw/zinc/45/76/70/344457670.db2.gz RCCROTOPWWREPW-BXUZGUMPSA-N 0 0 232.302 2.998 10 30 BFEERN COc1ccc(CN[C@@H]2CCCC[C@H]2C#N)cc1 ZINC000054823507 344457781 /nfs/dbraw/zinc/45/77/81/344457781.db2.gz LFXRVFKYLYDMJD-DZGCQCFKSA-N 0 0 244.338 2.867 10 30 BFEERN Cc1nc(C#N)cc(Cc2ccccc2Cl)n1 ZINC000409439094 344461147 /nfs/dbraw/zinc/46/11/47/344461147.db2.gz PPHLBJDPAMVYAM-UHFFFAOYSA-N 0 0 243.697 2.901 10 30 BFEERN N#Cc1cc(Cc2ccc(Cl)cc2)ncn1 ZINC000409436704 344463270 /nfs/dbraw/zinc/46/32/70/344463270.db2.gz WSGBKJJRDSULIL-UHFFFAOYSA-N 0 0 229.670 2.592 10 30 BFEERN CC[C@H](C)c1cc(C#N)nc(C2CC2)n1 ZINC000409438148 344463323 /nfs/dbraw/zinc/46/33/23/344463323.db2.gz KWZGRVBEDVJGSG-QMMMGPOBSA-N 0 0 201.273 2.739 10 30 BFEERN C=C=CC(=O)c1ccc(Br)cc1F ZINC000166081996 344486849 /nfs/dbraw/zinc/48/68/49/344486849.db2.gz UFXLNBUJOYGXJP-UHFFFAOYSA-N 0 0 241.059 2.794 10 30 BFEERN N#CCc1cc(C#N)ccc1OC(F)(F)F ZINC000396071825 344596353 /nfs/dbraw/zinc/59/63/53/344596353.db2.gz BVTAVNQLLQSSJI-UHFFFAOYSA-N 0 0 226.157 2.523 10 30 BFEERN N#CCc1cc(C#N)cc(OC(F)(F)F)c1 ZINC000396079199 344597838 /nfs/dbraw/zinc/59/78/38/344597838.db2.gz RVYQTAVSMAFHMQ-UHFFFAOYSA-N 0 0 226.157 2.523 10 30 BFEERN N#CCc1ccc(OC(F)F)c(F)c1F ZINC000396096652 344599054 /nfs/dbraw/zinc/59/90/54/344599054.db2.gz NDKIIYWLHKMIJH-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN CC[C@@H]1CC[C@](Br)(C#N)C1 ZINC000127721118 344611199 /nfs/dbraw/zinc/61/11/99/344611199.db2.gz JBMVGDLRDZYXIN-HTQZYQBOSA-N 0 0 202.095 2.854 10 30 BFEERN N#CCc1ccc(F)c(F)c1OC(F)F ZINC000396129442 344611794 /nfs/dbraw/zinc/61/17/94/344611794.db2.gz VBZIDNGMGFQDET-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN CC1(C)CCSC[C@@]1(Br)C#N ZINC000127687429 344600841 /nfs/dbraw/zinc/60/08/41/344600841.db2.gz HMISIHVRRUDMIU-QMMMGPOBSA-N 0 0 234.162 2.807 10 30 BFEERN N#Cc1cc(F)c(N2CCC3(CC3)C2)c(F)c1 ZINC000400408454 344605100 /nfs/dbraw/zinc/60/51/00/344605100.db2.gz SVHKJQNZUHZTST-UHFFFAOYSA-N 0 0 234.249 2.827 10 30 BFEERN Cc1ccoc1CN[C@H]1CCCC[C@@H]1C#N ZINC000309453625 347065401 /nfs/dbraw/zinc/06/54/01/347065401.db2.gz PAVZGSZZOWLOTF-NEPJUHHUSA-N 0 0 218.300 2.760 10 30 BFEERN N#Cc1cc(OC(F)(F)F)cc(N)c1Cl ZINC000396146723 344620023 /nfs/dbraw/zinc/62/00/23/344620023.db2.gz WLQCSNUHBOHNJV-UHFFFAOYSA-N 0 0 236.580 2.692 10 30 BFEERN N#Cc1cc(Cl)c(N)c(OC(F)(F)F)c1 ZINC000396147276 344621035 /nfs/dbraw/zinc/62/10/35/344621035.db2.gz YDPRBULCTOGECC-UHFFFAOYSA-N 0 0 236.580 2.692 10 30 BFEERN N#Cc1cc(N)c(OC(F)(F)F)cc1Cl ZINC000396157074 344628675 /nfs/dbraw/zinc/62/86/75/344628675.db2.gz SVZGDBANFRZIMB-UHFFFAOYSA-N 0 0 236.580 2.692 10 30 BFEERN Cc1ccc(N(CCC#N)C(C)C)c(N)c1 ZINC000042528825 178701064 /nfs/dbraw/zinc/70/10/64/178701064.db2.gz PHKQSFKNWZTBAS-UHFFFAOYSA-N 0 0 217.316 2.706 10 30 BFEERN O=C1C=C(OCc2ccccc2[N+](=O)[O-])CCC1 ZINC000139799842 344716361 /nfs/dbraw/zinc/71/63/61/344716361.db2.gz WTYDAOKVMYMFRP-UHFFFAOYSA-N 0 0 247.250 2.748 10 30 BFEERN C[C@@](O)(CC=O)c1cc2ccccc2s1 ZINC000166240969 344811254 /nfs/dbraw/zinc/81/12/54/344811254.db2.gz ZKORGKLFBSDMDT-GFCCVEGCSA-N 0 0 220.293 2.698 10 30 BFEERN CCOC(=O)CC1([C@@H]2CO2)CCC(C)CC1 ZINC000675053282 537865760 /nfs/dbraw/zinc/86/57/60/537865760.db2.gz MEWWKDXPRMVRFF-AKJDGMEZSA-N 0 0 226.316 2.535 10 30 BFEERN C[C@H](C#N)C(=O)c1csc(Br)c1 ZINC000235421715 344906293 /nfs/dbraw/zinc/90/62/93/344906293.db2.gz XUVJPFPVNAPHTA-RXMQYKEDSA-N 0 0 244.113 2.853 10 30 BFEERN C=CC[C@@H](C)Nc1cc(N)cc(Cl)n1 ZINC000235427933 344909857 /nfs/dbraw/zinc/90/98/57/344909857.db2.gz XAVGYWVNCKGSMZ-SSDOTTSWSA-N 0 0 211.696 2.694 10 30 BFEERN C[C@H](C=O)c1ccc(F)cc1Br ZINC000235447002 344916783 /nfs/dbraw/zinc/91/67/83/344916783.db2.gz DAEGHAPOHSRBID-ZCFIWIBFSA-N 0 0 231.064 2.891 10 30 BFEERN C[C@@H](NC(=O)[C@H](C)S)c1ccc(Cl)s1 ZINC000235561552 344943783 /nfs/dbraw/zinc/94/37/83/344943783.db2.gz GVRSHFPEZWRPFJ-RITPCOANSA-N 0 0 249.788 2.897 10 30 BFEERN COc1cc2cc(C#N)sc2cc1OC ZINC000145935548 345002926 /nfs/dbraw/zinc/00/29/26/345002926.db2.gz VMAUSTQVRSQZBG-UHFFFAOYSA-N 0 0 219.265 2.790 10 30 BFEERN C=CCN(C(=O)[C@H]1CC[C@H](C)O1)c1ccccc1 ZINC000154014461 345008211 /nfs/dbraw/zinc/00/82/11/345008211.db2.gz SECCVUCUEMBRQB-GXTWGEPZSA-N 0 0 245.322 2.773 10 30 BFEERN Cc1cc(CC#N)ccc1OC(F)(F)F ZINC000044369793 345041877 /nfs/dbraw/zinc/04/18/77/345041877.db2.gz PIGGYJGHBKBRRL-UHFFFAOYSA-N 0 0 215.174 2.960 10 30 BFEERN N#CCc1cnc(Cl)c(OC(F)(F)F)c1 ZINC000238528170 345068452 /nfs/dbraw/zinc/06/84/52/345068452.db2.gz MECMQNJLVGSQTH-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN N#Cc1cc(Cl)c(OC(F)(F)F)cn1 ZINC000238540217 345075396 /nfs/dbraw/zinc/07/53/96/345075396.db2.gz BJRSNKNOEAWWII-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN C[C@H](C#N)Oc1ccc(F)cc1Br ZINC000011944734 345081808 /nfs/dbraw/zinc/08/18/08/345081808.db2.gz AJBVWSQTPCMZEO-ZCFIWIBFSA-N 0 0 244.063 2.879 10 30 BFEERN C=CCCCCCN(C)C(=O)[C@H]1CC[C@H](C)O1 ZINC000155966574 345114650 /nfs/dbraw/zinc/11/46/50/345114650.db2.gz VZNMJMRQCWFNAN-QWHCGFSZSA-N 0 0 239.359 2.759 10 30 BFEERN N#C[C@H]1CCC[C@H]1Nc1ncnc2sccc21 ZINC000408327478 345175571 /nfs/dbraw/zinc/17/55/71/345175571.db2.gz DNFGZSLWOSXECS-PSASIEDQSA-N 0 0 244.323 2.795 10 30 BFEERN CC(C)c1cc(N[C@H]2CCC[C@H]2C#N)ncn1 ZINC000408327494 345176662 /nfs/dbraw/zinc/17/66/62/345176662.db2.gz DXNMPIOHKXMKEP-QWRGUYRKSA-N 0 0 230.315 2.704 10 30 BFEERN C[C@@H](NC(=O)CC#N)c1ccc(F)c(Cl)c1 ZINC000133124575 345361891 /nfs/dbraw/zinc/36/18/91/345361891.db2.gz PQPRKTIFSMDEMY-SSDOTTSWSA-N 0 0 240.665 2.570 10 30 BFEERN Cc1nc(N[C@@H]2CC[C@H](C#N)C2)sc1C ZINC000335596773 345414608 /nfs/dbraw/zinc/41/46/08/345414608.db2.gz ARZFPBSGNZSWLA-VHSXEESVSA-N 0 0 221.329 2.864 10 30 BFEERN C#CC[C@H](C)Nc1ncccc1Br ZINC000228990747 345426234 /nfs/dbraw/zinc/42/62/34/345426234.db2.gz ZVFNUYKFKBHOGO-QMMMGPOBSA-N 0 0 239.116 2.668 10 30 BFEERN CCOC(C)(C)CNc1cc(C)nc(C)c1C#N ZINC000159443623 345435585 /nfs/dbraw/zinc/43/55/85/345435585.db2.gz WAJDNMYTSQKRHC-UHFFFAOYSA-N 0 0 247.342 2.797 10 30 BFEERN C#Cc1nc2c(C)cc(Br)cn2c1C ZINC000159736893 345473987 /nfs/dbraw/zinc/47/39/87/345473987.db2.gz PLJHFWSFTBWTPY-UHFFFAOYSA-N 0 0 249.111 2.695 10 30 BFEERN CCCC#CC#C/C=C/COC(=O)C=C(C)C ZINC000031165736 168531249 /nfs/dbraw/zinc/53/12/49/168531249.db2.gz PIRJHHJSBOJPNY-ZHACJKMWSA-N 0 0 230.307 2.859 10 30 BFEERN CC(C)(C#N)N1CCO[C@H](C2CCCCC2)C1 ZINC000336136724 534998825 /nfs/dbraw/zinc/99/88/25/534998825.db2.gz FXSYEKIRRCSTNM-ZDUSSCGKSA-N 0 0 236.359 2.570 10 30 BFEERN C=C(C)C(=O)OCCc1ccccc1C ZINC000113208375 345753493 /nfs/dbraw/zinc/75/34/93/345753493.db2.gz YEQRGDXTQPUPMJ-UHFFFAOYSA-N 0 0 204.269 2.657 10 30 BFEERN CCCCCC(=NNC(N)=S)c1ccccc1 ZINC000257352115 345773428 /nfs/dbraw/zinc/77/34/28/345773428.db2.gz JDUCHZITNJKBHX-UHFFFAOYSA-N 0 0 249.383 2.804 10 30 BFEERN CC[C@@H](NC(C)=NC#N)c1cccc(C)c1 ZINC000136722391 345799018 /nfs/dbraw/zinc/79/90/18/345799018.db2.gz UURKVCYKGCSBHD-CYBMUJFWSA-N 0 0 215.300 2.935 10 30 BFEERN CCCCC#Cc1cc2c(cc1N)C(=O)CC2 ZINC000140040808 345851345 /nfs/dbraw/zinc/85/13/45/345851345.db2.gz YMUGSZWXSMSGPS-UHFFFAOYSA-N 0 0 227.307 2.939 10 30 BFEERN CC(C)c1cc2cc(C#N)cc(CO)c2o1 ZINC000141408629 345860139 /nfs/dbraw/zinc/86/01/39/345860139.db2.gz UCLFPIUDBMNALS-UHFFFAOYSA-N 0 0 215.252 2.920 10 30 BFEERN N#Cc1ccc(N)cc1C(F)(F)C(F)(F)F ZINC000220953664 345862506 /nfs/dbraw/zinc/86/25/06/345862506.db2.gz RDRLGYYTMQWOSZ-UHFFFAOYSA-N 0 0 236.143 2.795 10 30 BFEERN CC[C@@H]1CCCC[C@@]1(O)C#CBr ZINC000142463719 345863091 /nfs/dbraw/zinc/86/30/91/345863091.db2.gz URXLSHPGJHEDKO-NXEZZACHSA-N 0 0 231.133 2.674 10 30 BFEERN C=CCc1cc2c(cc1O)C(C)(C)[C@H](OC)O2 ZINC000034490737 345835644 /nfs/dbraw/zinc/83/56/44/345835644.db2.gz LMROIRXINMXQGS-CYBMUJFWSA-N 0 0 234.295 2.763 10 30 BFEERN Cc1ccc(NC(=O)CCS)c(Cl)c1 ZINC000235786773 345870288 /nfs/dbraw/zinc/87/02/88/345870288.db2.gz ONJRBFTUGOEGIE-UHFFFAOYSA-N 0 0 229.732 2.907 10 30 BFEERN C=CCc1ccc(C#N)c(OC(F)F)c1 ZINC000144441122 345921273 /nfs/dbraw/zinc/92/12/73/345921273.db2.gz WRHQZLNRJRPNJV-UHFFFAOYSA-N 0 0 209.195 2.888 10 30 BFEERN CC(C)(C)[S@](=O)/N=C/c1ccccc1F ZINC000145563673 345938794 /nfs/dbraw/zinc/93/87/94/345938794.db2.gz HFLHJILBMHZUFI-XETPBLJFSA-N 0 0 227.304 2.707 10 30 BFEERN Cc1ccc(CN[C@H]2CCCC[C@@H]2C#N)nc1 ZINC000401058224 346081061 /nfs/dbraw/zinc/08/10/61/346081061.db2.gz NPOFUIPFSZVFJG-OCCSQVGLSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1ccc(CN[C@@H]2CCCC[C@@H]2C#N)nc1 ZINC000401058234 346081102 /nfs/dbraw/zinc/08/11/02/346081102.db2.gz NPOFUIPFSZVFJG-TZMCWYRMSA-N 0 0 229.327 2.562 10 30 BFEERN O=CCCSCCOCCc1ccccc1 ZINC000149707470 346148345 /nfs/dbraw/zinc/14/83/45/346148345.db2.gz WMWMHIUYKYYTMZ-UHFFFAOYSA-N 0 0 238.352 2.568 10 30 BFEERN Cc1c(C)c(C#N)c(Cl)nc1Cl ZINC000034168144 346213042 /nfs/dbraw/zinc/21/30/42/346213042.db2.gz RKAFKNVKTHACRN-UHFFFAOYSA-N 0 0 201.056 2.877 10 30 BFEERN [N-]=[N+]=Nc1ncc(Br)cc1F ZINC000236136786 346197411 /nfs/dbraw/zinc/19/74/11/346197411.db2.gz WQOOQICTBYRPPI-UHFFFAOYSA-N 0 0 217.001 2.925 10 30 BFEERN O=C(C1=CCCCCC1)[C@H]1CCCOC1 ZINC000062229789 346222654 /nfs/dbraw/zinc/22/26/54/346222654.db2.gz BYFVYQPDDVMHNH-LBPRGKRZSA-N 0 0 208.301 2.873 10 30 BFEERN CSc1cc2c(C)cccn2c1C#N ZINC000034263265 346240555 /nfs/dbraw/zinc/24/05/55/346240555.db2.gz JDDUOYJDZZNQNN-UHFFFAOYSA-N 0 0 202.282 2.841 10 30 BFEERN CSc1cccc(C#CC(C)(C)O)c1 ZINC000034332824 346247129 /nfs/dbraw/zinc/24/71/29/346247129.db2.gz HZWNYJMWQOQKQR-UHFFFAOYSA-N 0 0 206.310 2.531 10 30 BFEERN CCOC(=O)C[C@]1([C@@H]2CO2)CCC[C@@H](C)C1 ZINC000675052392 537964420 /nfs/dbraw/zinc/96/44/20/537964420.db2.gz DOKNEMNOTTTWEI-MDZLAQPJSA-N 0 0 226.316 2.535 10 30 BFEERN C[C@H](C=O)c1ccccc1Br ZINC000034452355 346288704 /nfs/dbraw/zinc/28/87/04/346288704.db2.gz HTKTXCAKKKTRSF-SSDOTTSWSA-N 0 0 213.074 2.752 10 30 BFEERN C[C@@H](C=O)c1ccccc1Br ZINC000034452353 346288730 /nfs/dbraw/zinc/28/87/30/346288730.db2.gz HTKTXCAKKKTRSF-ZETCQYMHSA-N 0 0 213.074 2.752 10 30 BFEERN C=CCn1c(=S)[nH]c2cc(Cl)cnc21 ZINC000148615494 346356377 /nfs/dbraw/zinc/35/63/77/346356377.db2.gz ZVETVNVGHKTMJT-UHFFFAOYSA-N 0 0 225.704 2.559 10 30 BFEERN Cc1cccc(N(C)CC[C@@H](C#N)NC(C)C)c1 ZINC000062438483 179116544 /nfs/dbraw/zinc/11/65/44/179116544.db2.gz CMDWRJODALFBMY-AWEZNQCLSA-N 0 0 245.370 2.712 10 30 BFEERN Cc1cccc(N(C)CC[C@H](C#N)NC(C)C)c1 ZINC000062438485 179116690 /nfs/dbraw/zinc/11/66/90/179116690.db2.gz CMDWRJODALFBMY-CQSZACIVSA-N 0 0 245.370 2.712 10 30 BFEERN C[C@@H](C#N)[C@@H](O)c1cc(Cl)ccc1F ZINC000163799010 346577946 /nfs/dbraw/zinc/57/79/46/346577946.db2.gz RSOMZGIFEVAQJS-QUBYGPBYSA-N 0 0 213.639 2.672 10 30 BFEERN C=CC(=O)c1cccc(F)c1Br ZINC000168976545 346750385 /nfs/dbraw/zinc/75/03/85/346750385.db2.gz BPLCCMZXUSCZNH-UHFFFAOYSA-N 0 0 229.048 2.957 10 30 BFEERN Cc1cccc([C@H](C#N)N2CCCC2)c1 ZINC000019934128 179191578 /nfs/dbraw/zinc/19/15/78/179191578.db2.gz OFHUPHGTZRIWKS-ZDUSSCGKSA-N 0 0 200.285 2.656 10 30 BFEERN Cc1cccc([C@H](C#N)NC2CC2)c1C ZINC000043315115 179192106 /nfs/dbraw/zinc/19/21/06/179192106.db2.gz WKFVKIAXMCDYNX-ZDUSSCGKSA-N 0 0 200.285 2.620 10 30 BFEERN Cc1nc(C#N)sc1-c1ccc(F)nc1 ZINC000669381016 537991959 /nfs/dbraw/zinc/99/19/59/537991959.db2.gz VTTPXMNDMZZOSS-UHFFFAOYSA-N 0 0 219.244 2.524 10 30 BFEERN C[C@H]1CC(CNc2ncccc2C#N)C[C@H](C)O1 ZINC000359947751 187380110 /nfs/dbraw/zinc/38/01/10/187380110.db2.gz RZBZRWSMXIFSLL-QWRGUYRKSA-N 0 0 245.326 2.569 10 30 BFEERN COc1ccc([C@H](O)C#C[Si](C)(C)C)cc1 ZINC000196129802 347806049 /nfs/dbraw/zinc/80/60/49/347806049.db2.gz RHNOMHWPDDHIIF-CYBMUJFWSA-N 0 0 234.371 2.609 10 30 BFEERN Cc1ccccc1NCc1cccnc1C#N ZINC000061657147 179306150 /nfs/dbraw/zinc/30/61/50/179306150.db2.gz ACJHALNEGSDKML-UHFFFAOYSA-N 0 0 223.279 2.874 10 30 BFEERN Cc1ccccc1Oc1ccccc1/C(N)=N/O ZINC000020076272 179313732 /nfs/dbraw/zinc/31/37/32/179313732.db2.gz KEHSHRCERGNROL-UHFFFAOYSA-N 0 0 242.278 2.882 10 30 BFEERN C[C@@H](C#N)C(=O)c1c(F)cccc1Cl ZINC000036935125 347964030 /nfs/dbraw/zinc/96/40/30/347964030.db2.gz ZHIZCPIAMVGDEP-LURJTMIESA-N 0 0 211.623 2.821 10 30 BFEERN CC[C@H](C#N)C(=O)c1c(F)cccc1F ZINC000036915945 347964141 /nfs/dbraw/zinc/96/41/41/347964141.db2.gz NUXSNCRVOVSGBE-SSDOTTSWSA-N 0 0 209.195 2.697 10 30 BFEERN CCOC(=O)c1ccc2c(c1)C[C@@H](CCC=O)C2 ZINC000216137743 349982734 /nfs/dbraw/zinc/98/27/34/349982734.db2.gz CLCZXGHMEGJKCL-NSHDSACASA-N 0 0 246.306 2.557 10 30 BFEERN Cc1cccnc1CN[C@H]1CCCC[C@H]1C#N ZINC000071340126 179385229 /nfs/dbraw/zinc/38/52/29/179385229.db2.gz JFFRDIMJPYHHJU-STQMWFEESA-N 0 0 229.327 2.562 10 30 BFEERN Cc1ccn(-c2cc(Cl)ccc2C#N)n1 ZINC000062790136 179399456 /nfs/dbraw/zinc/39/94/56/179399456.db2.gz JMBGTAWTMDGCIF-UHFFFAOYSA-N 0 0 217.659 2.706 10 30 BFEERN CN(C)/C=C/C(=O)c1csc(Cl)c1 ZINC000205276236 348481876 /nfs/dbraw/zinc/48/18/76/348481876.db2.gz MNMBEEBZPROTNB-ONEGZZNKSA-N 0 0 215.705 2.660 10 30 BFEERN Cc1ccsc1[C@@H](C#N)NCC(C)C ZINC000041673372 179551918 /nfs/dbraw/zinc/55/19/18/179551918.db2.gz IISACYWCUPBCOV-SNVBAGLBSA-N 0 0 208.330 2.867 10 30 BFEERN CC(=O)c1ccc(C#N)c(N[C@H]2C[C@@H]2C)c1 ZINC000273192723 187399921 /nfs/dbraw/zinc/39/99/21/187399921.db2.gz JIUPATLNUUFCDC-UFBFGSQYSA-N 0 0 214.268 2.581 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C1CCC2(CC2)CC1 ZINC000597338422 348719947 /nfs/dbraw/zinc/71/99/47/348719947.db2.gz HLKFCNSRWPEMII-STQMWFEESA-N 0 0 246.354 2.765 10 30 BFEERN Nc1cccc(C#Cc2cc(F)cc(F)c2)c1 ZINC000037547752 348846178 /nfs/dbraw/zinc/84/61/78/348846178.db2.gz GXAZSSFXGIFNGB-UHFFFAOYSA-N 0 0 229.229 2.947 10 30 BFEERN N#CCCN(c1ccccc1)c1ncccc1N ZINC000019833152 187417990 /nfs/dbraw/zinc/41/79/90/187417990.db2.gz NORDWUYNQSIEQK-UHFFFAOYSA-N 0 0 238.294 2.716 10 30 BFEERN CC(=O)c1ccc(NC2=NC(C)(C)CS2)cc1 ZINC000035295465 187421548 /nfs/dbraw/zinc/42/15/48/187421548.db2.gz URXUENGIUUELFD-UHFFFAOYSA-N 0 0 248.351 2.992 10 30 BFEERN C=CC[C@H](O)Cc1ccccc1Br ZINC000055334986 349092212 /nfs/dbraw/zinc/09/22/12/349092212.db2.gz VBNPMHWKPVEYKS-JTQLQIEISA-N 0 0 241.128 2.929 10 30 BFEERN Cc1cc(-c2cc(CS)no2)c(C)o1 ZINC000725253143 538036141 /nfs/dbraw/zinc/03/61/41/538036141.db2.gz XLTSXAXROKEJJX-UHFFFAOYSA-N 0 0 209.270 2.981 10 30 BFEERN OC1(CC#Cc2ccccc2)CCCC1 ZINC000616581109 349262019 /nfs/dbraw/zinc/26/20/19/349262019.db2.gz FTIOIRBRQVHPPV-UHFFFAOYSA-N 0 0 200.281 2.733 10 30 BFEERN CCC[C@]1(C(=O)OCC)O[C@]12CCC[C@H]2C ZINC000251196518 538037175 /nfs/dbraw/zinc/03/71/75/538037175.db2.gz UNFYRXGJOCQUBE-KGYLQXTDSA-N 0 0 226.316 2.677 10 30 BFEERN C#Cc1c(Cl)c(OC)cc(OC)c1Cl ZINC000217664191 350067867 /nfs/dbraw/zinc/06/78/67/350067867.db2.gz ZGXDEQGKNWQYAD-UHFFFAOYSA-N 0 0 231.078 2.992 10 30 BFEERN C[C@@H](O)CC[N@H+](CCCC#N)Cc1ccccc1 ZINC000039171372 350113604 /nfs/dbraw/zinc/11/36/04/350113604.db2.gz HWOLTPCHSZCOGI-CQSZACIVSA-N 0 0 246.354 2.563 10 30 BFEERN COc1cccc(/N=C/c2cc(C)no2)c1 ZINC000218311791 350088571 /nfs/dbraw/zinc/08/85/71/350088571.db2.gz GDTCYASUULBKEA-MDWZMJQESA-N 0 0 216.240 2.742 10 30 BFEERN Cc1nc(N[C@@H]2C[C@@H]2C)c(Cl)cc1C#N ZINC000292796045 180024461 /nfs/dbraw/zinc/02/44/61/180024461.db2.gz YFQDRBKELFPNPM-QUBYGPBYSA-N 0 0 221.691 2.735 10 30 BFEERN C=CCOc1cc2oc(=O)cc(C)c2cc1C ZINC000039477198 350117073 /nfs/dbraw/zinc/11/70/73/350117073.db2.gz HZCRKIHNZTWOJV-UHFFFAOYSA-N 0 0 230.263 2.975 10 30 BFEERN Cc1ncc(C2(C#N)CCCCC2)cn1 ZINC000219775997 350140388 /nfs/dbraw/zinc/14/03/88/350140388.db2.gz CSKMLIMMKKTCNM-UHFFFAOYSA-N 0 0 201.273 2.511 10 30 BFEERN N#CC1(c2nc(C(F)(F)F)cs2)CC1 ZINC000220671228 350181109 /nfs/dbraw/zinc/18/11/09/350181109.db2.gz CATRHDIEDKWOJT-UHFFFAOYSA-N 0 0 218.203 2.717 10 30 BFEERN C=CCC[C@@H](O)COCc1ccccc1 ZINC000034360790 350169052 /nfs/dbraw/zinc/16/90/52/350169052.db2.gz PIWXSWRLGRCLKF-CYBMUJFWSA-N 0 0 206.285 2.530 10 30 BFEERN C=CC[C@H](C)NC(=O)[C@H]1Oc2ccccc2[C@H]1C ZINC000117808084 350204178 /nfs/dbraw/zinc/20/41/78/350204178.db2.gz COOMKQFUEASWHS-WDMOLILDSA-N 0 0 245.322 2.632 10 30 BFEERN Cc1cc(C)cc([C@@]2(C=O)C[C@@H](F)C2)c1 ZINC000725258936 538078260 /nfs/dbraw/zinc/07/82/60/538078260.db2.gz HUTYABYTZMDZJF-BETUJISGSA-N 0 0 206.260 2.872 10 30 BFEERN Cc1ccc(Cl)c(C(=O)CC#N)c1F ZINC000075903708 187444339 /nfs/dbraw/zinc/44/43/39/187444339.db2.gz IEFULVVBKDHDGH-UHFFFAOYSA-N 0 0 211.623 2.884 10 30 BFEERN Cc1ncsc1CN(C)[C@@H]1CCC[C@@H]1C#N ZINC000104430355 180312172 /nfs/dbraw/zinc/31/21/72/180312172.db2.gz YVCNDCJZYGCTLU-GHMZBOCLSA-N 0 0 235.356 2.576 10 30 BFEERN Cc1ncsc1CN(C)[C@H]1CCC[C@@H]1C#N ZINC000104430361 180315053 /nfs/dbraw/zinc/31/50/53/180315053.db2.gz YVCNDCJZYGCTLU-MNOVXSKESA-N 0 0 235.356 2.576 10 30 BFEERN Cc1ccnc(CN[C@H]2CCCC[C@H]2C#N)c1 ZINC000328151586 350376404 /nfs/dbraw/zinc/37/64/04/350376404.db2.gz FLDYIUUQHFWWQX-JSGCOSHPSA-N 0 0 229.327 2.562 10 30 BFEERN CCc1nc(CN[C@@H]2CCCC[C@H]2C#N)cs1 ZINC000328158097 350376544 /nfs/dbraw/zinc/37/65/44/350376544.db2.gz UQMITVPHAQQASE-CMPLNLGQSA-N 0 0 249.383 2.877 10 30 BFEERN Cc1nn(C)c(N[C@H](C)c2ccsc2)c1C#N ZINC000111350297 180360161 /nfs/dbraw/zinc/36/01/61/180360161.db2.gz YAEABZNMIDLHFE-MRVPVSSYSA-N 0 0 246.339 2.835 10 30 BFEERN Cc1nn(C)c(N[C@H]2CCCC[C@@H]2C)c1C#N ZINC000104425003 180360717 /nfs/dbraw/zinc/36/07/17/180360717.db2.gz IEGNMFJTCHSWNT-CABZTGNLSA-N 0 0 232.331 2.591 10 30 BFEERN Cc1nn(C)c(O[C@@H]2CCCC[C@H]2C)c1C#N ZINC000104312449 180359968 /nfs/dbraw/zinc/35/99/68/180359968.db2.gz CLACOTXGHPLTOS-BXKDBHETSA-N 0 0 233.315 2.558 10 30 BFEERN C=CCc1cc(C)c2c(c1O)C(=O)CC2 ZINC000034102712 350463896 /nfs/dbraw/zinc/46/38/96/350463896.db2.gz MRNDKYVWILOXIU-UHFFFAOYSA-N 0 0 202.253 2.558 10 30 BFEERN Cc1nn(C2CCCCC2)c(C)c1C#N ZINC000040538499 180384238 /nfs/dbraw/zinc/38/42/38/180384238.db2.gz IHHWDWKNVZNWAD-UHFFFAOYSA-N 0 0 203.289 2.877 10 30 BFEERN CC(C)(C)N1CCOC[C@@H]1c1cccc(C#N)c1 ZINC000616601737 350786757 /nfs/dbraw/zinc/78/67/57/350786757.db2.gz ORYSPJDDWNAHMF-CQSZACIVSA-N 0 0 244.338 2.730 10 30 BFEERN Cc1ccc(CC#N)c(Cl)c1[N+](=O)[O-] ZINC000306689929 350844043 /nfs/dbraw/zinc/84/40/43/350844043.db2.gz AEMFXTRXWFIKGG-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN CC1(C)C[C@H]1Nc1c(Cl)nsc1C#N ZINC000306709184 350860084 /nfs/dbraw/zinc/86/00/84/350860084.db2.gz LKVXGDXPJPOCQG-ZCFIWIBFSA-N 0 0 227.720 2.879 10 30 BFEERN C=C(c1cc(=S)[nH]cn1)C(F)(F)F ZINC000306732057 350901955 /nfs/dbraw/zinc/90/19/55/350901955.db2.gz RLULQVYVSIOMIU-UHFFFAOYSA-N 0 0 206.192 2.715 10 30 BFEERN C[C@@H]1C[C@@H]1CN(C)c1nc(Cl)c(C#N)s1 ZINC000306734264 350903931 /nfs/dbraw/zinc/90/39/31/350903931.db2.gz UNYRIAFKZRQLGY-RNFRBKRXSA-N 0 0 241.747 2.760 10 30 BFEERN C=C(C(=O)c1ccncc1C)C(F)(F)F ZINC000306735953 350905614 /nfs/dbraw/zinc/90/56/14/350905614.db2.gz WXVIQSQVUMRVHC-UHFFFAOYSA-N 0 0 215.174 2.691 10 30 BFEERN COC(=O)N1CCC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616617888 350877707 /nfs/dbraw/zinc/87/77/07/350877707.db2.gz DZOMBVDWLLHXDJ-CYBMUJFWSA-N 0 0 244.294 2.504 10 30 BFEERN O=C[C@@H]1CC[C@H](c2cc(F)cc(Cl)c2)O1 ZINC000306722099 350889520 /nfs/dbraw/zinc/88/95/20/350889520.db2.gz FHPYINXIZAASAY-WDEREUQCSA-N 0 0 228.650 2.898 10 30 BFEERN C[C@@H]1CCC[C@@](C=O)(C2CCOCC2)C1 ZINC000306724172 350893103 /nfs/dbraw/zinc/89/31/03/350893103.db2.gz IGKJYAZREAZMAR-DGCLKSJQSA-N 0 0 210.317 2.808 10 30 BFEERN COC(=O)N1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000616618302 350894103 /nfs/dbraw/zinc/89/41/03/350894103.db2.gz NWYFYYOUSJASSE-CYBMUJFWSA-N 0 0 244.294 2.504 10 30 BFEERN C#Cc1nc2cc(C)c(Br)cn2c1C ZINC000159735491 350989936 /nfs/dbraw/zinc/98/99/36/350989936.db2.gz LUIQIVHWUIGYOO-UHFFFAOYSA-N 0 0 249.111 2.695 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1cccc(C#N)n1 ZINC000231663918 351044460 /nfs/dbraw/zinc/04/44/60/351044460.db2.gz ULBICRAQHLIDMJ-KOLCDFICSA-N 0 0 201.273 2.554 10 30 BFEERN C=CCO[C@@H](C)CNC(=O)OCc1ccccc1 ZINC000306820368 351086944 /nfs/dbraw/zinc/08/69/44/351086944.db2.gz JAAJTSMSNPKBAS-LBPRGKRZSA-N 0 0 249.310 2.504 10 30 BFEERN CC(C)(C)N1CCOC[C@H]1c1ccc(C#N)cc1 ZINC000616642028 351151897 /nfs/dbraw/zinc/15/18/97/351151897.db2.gz SQPUVLXSRXAUBX-AWEZNQCLSA-N 0 0 244.338 2.730 10 30 BFEERN C=C(Cl)CNc1ccc(F)cc1N ZINC000168166985 351329583 /nfs/dbraw/zinc/32/95/83/351329583.db2.gz QMBNGUITGUPMBI-UHFFFAOYSA-N 0 0 200.644 2.572 10 30 BFEERN O=C(c1cc2c(s1)CCC2)C1=CCCO1 ZINC000168360256 351389109 /nfs/dbraw/zinc/38/91/09/351389109.db2.gz IAOZKGKYGSPQDF-UHFFFAOYSA-N 0 0 220.293 2.724 10 30 BFEERN C[C@H]1O[C@@H](C)Cc2nc(Cl)c(C#N)cc21 ZINC000133627705 351414004 /nfs/dbraw/zinc/41/40/04/351414004.db2.gz HVIKXUNMVPSDOU-NKWVEPMBSA-N 0 0 222.675 2.629 10 30 BFEERN Cn1c2ccc(C#N)cc2nc1-c1ccncc1 ZINC000075935011 180608654 /nfs/dbraw/zinc/60/86/54/180608654.db2.gz OIJZNMHXMPORCB-UHFFFAOYSA-N 0 0 234.262 2.507 10 30 BFEERN C[C@H](CC#N)Nc1cncc(Br)c1 ZINC000300862983 363075607 /nfs/dbraw/zinc/07/56/07/363075607.db2.gz KVSBJYDBPWDKSW-SSDOTTSWSA-N 0 0 240.104 2.558 10 30 BFEERN O=C[C@@]1(Cc2cccc(F)c2)CCCS1 ZINC000307189879 351589764 /nfs/dbraw/zinc/58/97/64/351589764.db2.gz VREXWTFOVYPJKT-LBPRGKRZSA-N 0 0 224.300 2.833 10 30 BFEERN Cc1cc(F)ccc1[C@@H]1CC[C@H](C=O)O1 ZINC000307215108 351613579 /nfs/dbraw/zinc/61/35/79/351613579.db2.gz AVJVQZZGAWLPKA-PWSUYJOCSA-N 0 0 208.232 2.553 10 30 BFEERN O=CC1CC(OCc2ccccc2Cl)C1 ZINC000606302092 351553652 /nfs/dbraw/zinc/55/36/52/351553652.db2.gz AYFUEGXTDMEEIZ-UHFFFAOYSA-N 0 0 224.687 2.834 10 30 BFEERN N#CC1(CO)CC(Cc2ccc(Cl)cc2)C1 ZINC000606302100 351553662 /nfs/dbraw/zinc/55/36/62/351553662.db2.gz BRVPYINTLYZPNL-UHFFFAOYSA-N 0 0 235.714 2.795 10 30 BFEERN CCCCCC1CC(C=O)(C(=O)OCC)C1 ZINC000606302460 351555771 /nfs/dbraw/zinc/55/57/71/351555771.db2.gz MGDGUQXBSJJMPL-UHFFFAOYSA-N 0 0 226.316 2.725 10 30 BFEERN C=C[C@H](C)Nc1cc(Cl)nc(Cl)n1 ZINC000307259085 351800458 /nfs/dbraw/zinc/80/04/58/351800458.db2.gz KIOSSCBJTKRYDH-YFKPBYRVSA-N 0 0 218.087 2.770 10 30 BFEERN CCc1ccc(C2=CC(=O)C[C@](C)(O)C2)cc1 ZINC000040174940 351930127 /nfs/dbraw/zinc/93/01/27/351930127.db2.gz FEWBLPCFTYEBLD-OAHLLOKOSA-N 0 0 230.307 2.746 10 30 BFEERN C=C(c1ncc(C)cc1N)C(F)(F)F ZINC000307294665 351904459 /nfs/dbraw/zinc/90/44/59/351904459.db2.gz NJLSXFBGRNJQST-UHFFFAOYSA-N 0 0 202.179 2.548 10 30 BFEERN Cc1ccc(Br)c([N+](=O)[O-])c1C#N ZINC000307337766 352056330 /nfs/dbraw/zinc/05/63/30/352056330.db2.gz SCSROXVSHPEDEC-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN Cc1cc(CC#N)cc([N+](=O)[O-])c1Cl ZINC000307340025 352081915 /nfs/dbraw/zinc/08/19/15/352081915.db2.gz SNEFXDJBQLEOFY-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN C=C(C)C(C)(C)C(=O)N1CCOC(C)(C)[C@@H]1C ZINC000335202623 352419097 /nfs/dbraw/zinc/41/90/97/352419097.db2.gz IADXKPUGJKRMFM-NSHDSACASA-N 0 0 239.359 2.615 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@@]12CCC[C@H]2CC ZINC000252953708 538103730 /nfs/dbraw/zinc/10/37/30/538103730.db2.gz QGTCHHGAUIOKAO-KGYLQXTDSA-N 0 0 226.316 2.677 10 30 BFEERN C=CCCCCCCC(OC(C)=O)OC(C)=O ZINC000039121745 352586190 /nfs/dbraw/zinc/58/61/90/352586190.db2.gz JHHHCKMOCAUFDM-UHFFFAOYSA-N 0 0 242.315 2.965 10 30 BFEERN N#CCc1cc(C(F)(F)F)ncc1Cl ZINC000307470493 352617435 /nfs/dbraw/zinc/61/74/35/352617435.db2.gz VPTQBQMIXMHINL-UHFFFAOYSA-N 0 0 220.581 2.820 10 30 BFEERN N#C[C@@H](NCC1CC1)c1ccccc1Cl ZINC000037946871 187763231 /nfs/dbraw/zinc/76/32/31/187763231.db2.gz NHSVTVLMBRETGP-GFCCVEGCSA-N 0 0 220.703 2.904 10 30 BFEERN Cc1ccsc1[C@H]1CC[C@](C)(C=O)O1 ZINC000307407993 352581900 /nfs/dbraw/zinc/58/19/00/352581900.db2.gz FQSALFQLZACSAL-MWLCHTKSSA-N 0 0 210.298 2.866 10 30 BFEERN Cc1ccc(Cl)c(NC(=O)[C@@H](C)S)c1 ZINC000232254109 352584009 /nfs/dbraw/zinc/58/40/09/352584009.db2.gz HCUQINAHMXLABO-SSDOTTSWSA-N 0 0 229.732 2.905 10 30 BFEERN CC(C)[C@H](C#N)c1ccc2c(c1)OCO2 ZINC000039350415 187764962 /nfs/dbraw/zinc/76/49/62/187764962.db2.gz QLNSHZSQJWNTRE-JTQLQIEISA-N 0 0 203.241 2.678 10 30 BFEERN CC(C)CN[C@@H](C#N)c1ccc(F)cc1F ZINC000037939182 187771773 /nfs/dbraw/zinc/77/17/73/187771773.db2.gz WSCMVWVZCZLEFH-LBPRGKRZSA-N 0 0 224.254 2.775 10 30 BFEERN CCc1ccc(C(=O)C2=COCC2)s1 ZINC000307499026 352626802 /nfs/dbraw/zinc/62/68/02/352626802.db2.gz QFGOZQKNAQWGQO-UHFFFAOYSA-N 0 0 208.282 2.797 10 30 BFEERN CCN(Cc1ccccc1)C(=O)CCCS ZINC000307521806 352635709 /nfs/dbraw/zinc/63/57/09/352635709.db2.gz WMOIWXLYQXKMEV-UHFFFAOYSA-N 0 0 237.368 2.745 10 30 BFEERN C=C(C)Cc1ccccc1C1OCCO1 ZINC000043502447 352636663 /nfs/dbraw/zinc/63/66/63/352636663.db2.gz LLJQZHMXRDVIHC-UHFFFAOYSA-N 0 0 204.269 2.851 10 30 BFEERN C=CC(=O)Cc1ccc(Br)s1 ZINC000232459242 352679350 /nfs/dbraw/zinc/67/93/50/352679350.db2.gz TZGPRMILKIJOJY-UHFFFAOYSA-N 0 0 231.114 2.808 10 30 BFEERN C=C([C@H](O)[C@H]1CCC[C@@H]1C)C(F)(F)F ZINC000307639581 352726049 /nfs/dbraw/zinc/72/60/49/352726049.db2.gz CAHBEBYYQJWUTD-XVYDVKMFSA-N 0 0 208.223 2.902 10 30 BFEERN O=C[C@H]1CCC(C2CCC2)(C2CCC2)O1 ZINC000307645088 352737901 /nfs/dbraw/zinc/73/79/01/352737901.db2.gz WVOXZNUSIFFGCG-GFCCVEGCSA-N 0 0 208.301 2.703 10 30 BFEERN N#CCc1c(F)cc(F)cc1Br ZINC000307649493 352740595 /nfs/dbraw/zinc/74/05/95/352740595.db2.gz INSKDTANOZJUTG-UHFFFAOYSA-N 0 0 232.027 2.793 10 30 BFEERN C=C(C(=O)c1ccc(N)cc1)C(F)(F)F ZINC000306435788 353014607 /nfs/dbraw/zinc/01/46/07/353014607.db2.gz LJZUJWYFCXTIOS-UHFFFAOYSA-N 0 0 215.174 2.570 10 30 BFEERN CCOC(=O)[C@H]1O[C@@]1(C)CCC(C)(C)C ZINC000308902740 538107443 /nfs/dbraw/zinc/10/74/43/538107443.db2.gz CLONSEXEJLHXHK-SKDRFNHKSA-N 0 0 214.305 2.533 10 30 BFEERN C=C(Cl)CNc1ncnc(Cl)c1C ZINC000229315588 353109788 /nfs/dbraw/zinc/10/97/88/353109788.db2.gz UXUKMWDCCRAMIX-UHFFFAOYSA-N 0 0 218.087 2.603 10 30 BFEERN C[C@]1(c2cccs2)CCC[C@@H](C=O)O1 ZINC000307728893 353115223 /nfs/dbraw/zinc/11/52/23/353115223.db2.gz FOXDRUDWMGFHSO-GXSJLCMTSA-N 0 0 210.298 2.731 10 30 BFEERN N#CCc1cc(Cl)c([N+](=O)[O-])c(Cl)c1 ZINC000307499540 353079401 /nfs/dbraw/zinc/07/94/01/353079401.db2.gz QYLORBWDSAERMD-UHFFFAOYSA-N 0 0 231.038 2.968 10 30 BFEERN C[C@]1(Cc2ccc(Cl)cc2)O[C@@H]1C#N ZINC000307743906 353122795 /nfs/dbraw/zinc/12/27/95/353122795.db2.gz NLHVGGNQNWUOIJ-GHMZBOCLSA-N 0 0 207.660 2.564 10 30 BFEERN C[C@]1(Cc2ccc(Cl)cc2)O[C@H]1C#N ZINC000307743909 353122807 /nfs/dbraw/zinc/12/28/07/353122807.db2.gz NLHVGGNQNWUOIJ-WDEREUQCSA-N 0 0 207.660 2.564 10 30 BFEERN C=C(C)C(=O)c1occc1Br ZINC000232580985 353137775 /nfs/dbraw/zinc/13/77/75/353137775.db2.gz ZOSZQEYADMVTIO-UHFFFAOYSA-N 0 0 215.046 2.801 10 30 BFEERN C=C(C(=O)OCC)[C@H](O)c1cc2ccccc2o1 ZINC000019835530 188058943 /nfs/dbraw/zinc/05/89/43/188058943.db2.gz LZZCOEDHHCMHRY-ZDUSSCGKSA-N 0 0 246.262 2.586 10 30 BFEERN C=C(C)CNc1ccc([C@H](C)C(=O)OC)cc1 ZINC000033506497 188060943 /nfs/dbraw/zinc/06/09/43/188060943.db2.gz ZYZOATXKGVZVGM-NSHDSACASA-N 0 0 233.311 2.951 10 30 BFEERN C#CCNCc1cccc(Cl)c1Cl ZINC000019875696 188069543 /nfs/dbraw/zinc/06/95/43/188069543.db2.gz SOPQZBZGKFQBMG-UHFFFAOYSA-N 0 0 214.095 2.716 10 30 BFEERN C=CC(=O)Cc1cccc(Br)c1 ZINC000002579465 188100672 /nfs/dbraw/zinc/10/06/72/188100672.db2.gz MNHRVIDDYWWWCD-UHFFFAOYSA-N 0 0 225.085 2.747 10 30 BFEERN CC1(C)O[C@@H]1CCC1=CC[C@H](C=O)CC1 ZINC000005765558 188102738 /nfs/dbraw/zinc/10/27/38/188102738.db2.gz QDEJSRGRUBKYGP-NWDGAFQWSA-N 0 0 208.301 2.869 10 30 BFEERN N#Cc1ccc(Cn2ncc3cc(N)ccc32)cc1 ZINC000008699768 188104107 /nfs/dbraw/zinc/10/41/07/188104107.db2.gz JIZLPQGHKWANNI-UHFFFAOYSA-N 0 0 248.289 2.538 10 30 BFEERN N#CCc1ccc(Oc2ncccc2N)cc1 ZINC000019258629 188106798 /nfs/dbraw/zinc/10/67/98/188106798.db2.gz NVUPQJZDMLLSBK-UHFFFAOYSA-N 0 0 225.251 2.522 10 30 BFEERN SCCOc1cccc2c1CCCC2 ZINC000041218017 188118882 /nfs/dbraw/zinc/11/88/82/188118882.db2.gz JINNRDZZMMICNR-UHFFFAOYSA-N 0 0 208.326 2.874 10 30 BFEERN N#CCC[C@H](O)c1c(F)cccc1Cl ZINC000041227202 188119050 /nfs/dbraw/zinc/11/90/50/188119050.db2.gz JNJFPTAGRBSMKM-VIFPVBQESA-N 0 0 213.639 2.816 10 30 BFEERN N#CCC[C@@H](O)c1c(F)cccc1Cl ZINC000041227200 188119075 /nfs/dbraw/zinc/11/90/75/188119075.db2.gz JNJFPTAGRBSMKM-SECBINFHSA-N 0 0 213.639 2.816 10 30 BFEERN CC(C)[C@H](C#N)C(=O)N[C@@H](C)c1cccs1 ZINC000044822929 188123505 /nfs/dbraw/zinc/12/35/05/188123505.db2.gz MDHBVHSZANURRA-UWVGGRQHSA-N 0 0 236.340 2.721 10 30 BFEERN Cc1cc(C)c(C#N)c(NC(C)(C)C)n1 ZINC000040418544 188128973 /nfs/dbraw/zinc/12/89/73/188128973.db2.gz SYCDITYACRCSQB-UHFFFAOYSA-N 0 0 203.289 2.781 10 30 BFEERN N#Cc1ccc(-n2ccnc2Br)cc1 ZINC000075842557 188133041 /nfs/dbraw/zinc/13/30/41/188133041.db2.gz URTVTDKKIRAVBI-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN COc1ccc([C@H](C#N)NC2CC2)cc1Cl ZINC000077373334 188136633 /nfs/dbraw/zinc/13/66/33/188136633.db2.gz OVPRIRNBQCDXHP-NSHDSACASA-N 0 0 236.702 2.665 10 30 BFEERN C=CCN[C@H](C#N)c1cccc(C)c1C ZINC000051960332 188157311 /nfs/dbraw/zinc/15/73/11/188157311.db2.gz IFKSHFTTXZGAHH-CYBMUJFWSA-N 0 0 200.285 2.644 10 30 BFEERN C=CCNc1ccc(N)cc1C(F)(F)F ZINC000052923470 188158356 /nfs/dbraw/zinc/15/83/56/188158356.db2.gz OIWSKZHZVILFNT-UHFFFAOYSA-N 0 0 216.206 2.886 10 30 BFEERN CC(C)C[C@H](C)Oc1cc(C#N)ccn1 ZINC000019486597 188172730 /nfs/dbraw/zinc/17/27/30/188172730.db2.gz FPKNAEOWINJVOG-JTQLQIEISA-N 0 0 204.273 2.767 10 30 BFEERN CC(C)(C)c1ccc(OC2CC2)c(C#N)n1 ZINC000095736412 188146260 /nfs/dbraw/zinc/14/62/60/188146260.db2.gz SHBADGLEOVRXES-UHFFFAOYSA-N 0 0 216.284 2.792 10 30 BFEERN COc1ccc(CCCCC#N)cc1NC(C)=O ZINC000098128260 188148657 /nfs/dbraw/zinc/14/86/57/188148657.db2.gz ZHLNWPZZGHBJEC-UHFFFAOYSA-N 0 0 246.310 2.890 10 30 BFEERN NC(=O)c1ccccc1/N=C/c1ccc(F)cc1 ZINC000100042110 188149442 /nfs/dbraw/zinc/14/94/42/188149442.db2.gz KAYRUENEQXLRBB-RQZCQDPDSA-N 0 0 242.253 2.675 10 30 BFEERN C=C(C)CN(CC)c1ccccc1C=O ZINC000020079178 188175740 /nfs/dbraw/zinc/17/57/40/188175740.db2.gz CVYKYKDNLQURLM-UHFFFAOYSA-N 0 0 203.285 2.902 10 30 BFEERN C#CCO/N=C1/C[C@H]2CC[C@]1(C)C2(C)C ZINC000022115572 188177224 /nfs/dbraw/zinc/17/72/24/188177224.db2.gz RYOCQKYEVIJALB-POHBERRGSA-N 0 0 205.301 2.838 10 30 BFEERN Cc1ccc(SCC[C@@H](N)C#N)cc1C ZINC000062455215 188184437 /nfs/dbraw/zinc/18/44/37/188184437.db2.gz APSRIBUVSJZKEG-LLVKDONJSA-N 0 0 220.341 2.637 10 30 BFEERN C=C[C@H](CC(=O)N[C@H]1C[C@H]1C)c1ccccc1 ZINC000128261799 353286923 /nfs/dbraw/zinc/28/69/23/353286923.db2.gz NLOFOTXRCFTQED-BZPMIXESSA-N 0 0 229.323 2.871 10 30 BFEERN C=C(Cl)CNc1ccncc1Cl ZINC000129603709 353325988 /nfs/dbraw/zinc/32/59/88/353325988.db2.gz CDRNZQYJNZCZDO-UHFFFAOYSA-N 0 0 203.072 2.899 10 30 BFEERN Cc1cc(C)cc(C(=O)N[C@H]2CCC[C@H]2C#N)c1 ZINC000061889110 353543367 /nfs/dbraw/zinc/54/33/67/353543367.db2.gz QONFTDILMBGLFO-JSGCOSHPSA-N 0 0 242.322 2.726 10 30 BFEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1F ZINC000061889147 353543597 /nfs/dbraw/zinc/54/35/97/353543597.db2.gz IIMXRPPJGHOZBM-DGCLKSJQSA-N 0 0 246.285 2.556 10 30 BFEERN C=CCCCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000175120503 188435677 /nfs/dbraw/zinc/43/56/77/188435677.db2.gz KDOHKTCNMIDSQE-CYBMUJFWSA-N 0 0 245.322 2.983 10 30 BFEERN C=CCNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183455175 353551720 /nfs/dbraw/zinc/55/17/20/353551720.db2.gz YBWAAGXWPPZBKI-GHMZBOCLSA-N 0 0 209.333 2.751 10 30 BFEERN N#CCCN(c1ccccc1)c1ncccn1 ZINC000019434695 188460526 /nfs/dbraw/zinc/46/05/26/188460526.db2.gz CTFQXRDKHYVDKA-UHFFFAOYSA-N 0 0 224.267 2.528 10 30 BFEERN C=C[C@@H]1CN=C(Nc2ccccc2)S1 ZINC000005137918 188450906 /nfs/dbraw/zinc/45/09/06/188450906.db2.gz HQQCIYSNQIQLBA-SNVBAGLBSA-N 0 0 204.298 2.565 10 30 BFEERN C[C@H]1CC=CC[C@@H]1COc1cc(C#N)ccn1 ZINC000034958438 188467126 /nfs/dbraw/zinc/46/71/26/188467126.db2.gz NZHKUCGIHIJORL-WCQYABFASA-N 0 0 228.295 2.934 10 30 BFEERN N#Cc1cc(F)ccc1COc1ccc(N)cc1 ZINC000071264581 188488193 /nfs/dbraw/zinc/48/81/93/188488193.db2.gz LUGVHXQQHDWBSU-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN Fc1ccccc1C[C@@H]1COCC[C@H]1S ZINC000095077135 181012547 /nfs/dbraw/zinc/01/25/47/181012547.db2.gz BKIVIBJEVXQYQX-ZYHUDNBSSA-N 0 0 226.316 2.703 10 30 BFEERN CC(C)[C@H](C#N)C(=O)c1ccoc1Cl ZINC000232708459 353759953 /nfs/dbraw/zinc/75/99/53/353759953.db2.gz OOAFUBKREGLEKZ-QMMMGPOBSA-N 0 0 211.648 2.911 10 30 BFEERN N#CC1(Nc2cccc(Cl)c2)CCOCC1 ZINC000037937388 181030680 /nfs/dbraw/zinc/03/06/80/181030680.db2.gz IMRXJTGNQLNLOH-UHFFFAOYSA-N 0 0 236.702 2.825 10 30 BFEERN N#CC(N)(Cc1ccccc1)Cc1ccccc1 ZINC000022222270 181027848 /nfs/dbraw/zinc/02/78/48/181027848.db2.gz MNEPDEQJSZAMHK-UHFFFAOYSA-N 0 0 236.318 2.693 10 30 BFEERN COC(=O)c1cccc(C#C[Si](C)(C)C)c1 ZINC000195965327 353852612 /nfs/dbraw/zinc/85/26/12/353852612.db2.gz NSXWMGYQHNWJQL-UHFFFAOYSA-N 0 0 232.355 2.702 10 30 BFEERN N#CCC(=O)Cc1c(F)cccc1Cl ZINC000041225844 181032922 /nfs/dbraw/zinc/03/29/22/181032922.db2.gz PZZOUYLWOZAREH-UHFFFAOYSA-N 0 0 211.623 2.504 10 30 BFEERN N#CC[C@@H](O)Cc1ccc(Cl)c(Cl)c1 ZINC000041252089 181044948 /nfs/dbraw/zinc/04/49/48/181044948.db2.gz AJKDUUWZTNEJKY-MRVPVSSYSA-N 0 0 230.094 2.810 10 30 BFEERN Cc1oc(C)c(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1C ZINC000087198994 353988496 /nfs/dbraw/zinc/98/84/96/353988496.db2.gz ISHHWLBXMOIMHK-VXGBXAGGSA-N 0 0 246.310 2.627 10 30 BFEERN N#CC[C@H]1CCCN1C(=O)OCc1ccccc1 ZINC000098044378 181045881 /nfs/dbraw/zinc/04/58/81/181045881.db2.gz DBEGMXHOBRLDCW-CYBMUJFWSA-N 0 0 244.294 2.701 10 30 BFEERN N#Cc1cccc(/C=C/C(=O)C(F)(F)F)c1 ZINC000026384662 188537181 /nfs/dbraw/zinc/53/71/81/188537181.db2.gz ZEZRYTQCLJZJSI-SNAWJCMRSA-N 0 0 225.169 2.703 10 30 BFEERN N#CCc1nc2ccccc2n1CC(F)(F)F ZINC000070160494 181049652 /nfs/dbraw/zinc/04/96/52/181049652.db2.gz NJNIWCJYAVWPMV-UHFFFAOYSA-N 0 0 239.200 2.665 10 30 BFEERN N#CCc1noc(-c2cc(F)ccc2Cl)n1 ZINC000073641486 181050358 /nfs/dbraw/zinc/05/03/58/181050358.db2.gz ZHYDZNRKPQCGMH-UHFFFAOYSA-N 0 0 237.621 2.595 10 30 BFEERN N#C[C@@H](C=O)c1ccc(Cl)c(Cl)c1 ZINC000040566559 181053999 /nfs/dbraw/zinc/05/39/99/181053999.db2.gz VLVPUPYAEYXXJO-ZETCQYMHSA-N 0 0 214.051 2.799 10 30 BFEERN N#C[C@@H](C(=O)c1ccncc1)c1ccccc1F ZINC000049671700 181054284 /nfs/dbraw/zinc/05/42/84/181054284.db2.gz FPLAIHDAAQBUSU-GFCCVEGCSA-N 0 0 240.237 2.711 10 30 BFEERN N#C[C@@H](Cc1ccccc1)NCc1cccs1 ZINC000037939588 181055825 /nfs/dbraw/zinc/05/58/25/181055825.db2.gz SGONPEWOJMSKLT-CYBMUJFWSA-N 0 0 242.347 2.973 10 30 BFEERN N#C[C@@H](NC(=O)c1cccs1)c1ccccc1 ZINC000040215179 181056632 /nfs/dbraw/zinc/05/66/32/181056632.db2.gz PUKAMMDCWMZWGI-LLVKDONJSA-N 0 0 242.303 2.743 10 30 BFEERN N#C[C@@H](Nc1ccccc1Cl)[C@H]1CCOC1 ZINC000037938191 181056957 /nfs/dbraw/zinc/05/69/57/181056957.db2.gz YOLUXJOQSIOKGJ-JOYOIKCWSA-N 0 0 236.702 2.681 10 30 BFEERN N#C[C@@H](Nc1ccccc1Cl)[C@@H]1CCOC1 ZINC000037938189 181057008 /nfs/dbraw/zinc/05/70/08/181057008.db2.gz YOLUXJOQSIOKGJ-BXKDBHETSA-N 0 0 236.702 2.681 10 30 BFEERN N#CCc1ccc(NCC2(O)CCCCC2)cc1 ZINC000051601463 181048543 /nfs/dbraw/zinc/04/85/43/181048543.db2.gz ZWADISOQNSNPDX-UHFFFAOYSA-N 0 0 244.338 2.860 10 30 BFEERN N#C[C@H](Cc1ccccc1)NCc1ccccc1 ZINC000034591913 181064157 /nfs/dbraw/zinc/06/41/57/181064157.db2.gz JNRFSTAROSTWEJ-INIZCTEOSA-N 0 0 236.318 2.911 10 30 BFEERN N#C[C@H](NCc1cccs1)c1ccc(O)cc1 ZINC000037939670 181066071 /nfs/dbraw/zinc/06/60/71/181066071.db2.gz PXYLSUHEOBLNBS-ZDUSSCGKSA-N 0 0 244.319 2.808 10 30 BFEERN N#C[C@H](c1ccc(O)c(O)c1)N1CCCCCC1 ZINC000038086096 181066570 /nfs/dbraw/zinc/06/65/70/181066570.db2.gz JOQXLCUTFOPTPY-GFCCVEGCSA-N 0 0 246.310 2.538 10 30 BFEERN N#C[C@H](Nc1ccccc1F)c1cccnc1 ZINC000037938971 181066752 /nfs/dbraw/zinc/06/67/52/181066752.db2.gz ZRRJYVSEMWWETL-ZDUSSCGKSA-N 0 0 227.242 2.897 10 30 BFEERN N#C[C@@H]1CCCCC[C@H]1NCc1cccnc1 ZINC000054824559 181058259 /nfs/dbraw/zinc/05/82/59/181058259.db2.gz ZFTZAFRXTUPIQI-UONOGXRCSA-N 0 0 229.327 2.644 10 30 BFEERN N#C[C@@H]1CCCCC[C@H]1N1CCSCC1 ZINC000037146689 181058292 /nfs/dbraw/zinc/05/82/92/181058292.db2.gz QZYUUSXAFLVFLD-NWDGAFQWSA-N 0 0 224.373 2.508 10 30 BFEERN N#C[C@@H]1CN(Cc2ccccc2)CC12CCC2 ZINC000299805437 181060808 /nfs/dbraw/zinc/06/08/08/181060808.db2.gz OGGUKHNMUMQBLY-CQSZACIVSA-N 0 0 226.323 2.812 10 30 BFEERN N#C[C@@H]1CCC[C@H]1Nc1cccc(F)c1 ZINC000054823917 181060925 /nfs/dbraw/zinc/06/09/25/181060925.db2.gz NRAWQOHQVPSNHA-JOYOIKCWSA-N 0 0 204.248 2.930 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(Cl)o1 ZINC000061891852 181061007 /nfs/dbraw/zinc/06/10/07/181061007.db2.gz JEBRMMUBEJZQJL-WCBMZHEXSA-N 0 0 224.691 2.715 10 30 BFEERN N#C[C@@H]1CCC[C@H]1Nc1ccccc1F ZINC000054824049 181061130 /nfs/dbraw/zinc/06/11/30/181061130.db2.gz JXSRXQUWPHVPQE-GXSJLCMTSA-N 0 0 204.248 2.930 10 30 BFEERN N#C[C@H](C(=O)c1cccnc1)c1ccccc1F ZINC000049671703 181062604 /nfs/dbraw/zinc/06/26/04/181062604.db2.gz KOKJKIYLQDWCHN-LBPRGKRZSA-N 0 0 240.237 2.711 10 30 BFEERN N#Cc1c(N)scc1-c1cccc([N+](=O)[O-])c1 ZINC000033501092 181071283 /nfs/dbraw/zinc/07/12/83/181071283.db2.gz ANQMZJYXJPAMMR-UHFFFAOYSA-N 0 0 245.263 2.777 10 30 BFEERN N#C[C@]1(Nc2ccccc2)CCCSC1 ZINC000061590338 181071317 /nfs/dbraw/zinc/07/13/17/181071317.db2.gz WEARTQGVIDKQRT-GFCCVEGCSA-N 0 0 218.325 2.888 10 30 BFEERN N#C[C@]1(Nc2cccc(F)c2)CCSC1 ZINC000037936944 181071889 /nfs/dbraw/zinc/07/18/89/181071889.db2.gz MMVZFFSGXOYLSQ-LLVKDONJSA-N 0 0 222.288 2.637 10 30 BFEERN N#Cc1c(Cl)cccc1NCc1cn[nH]c1 ZINC000052903850 181073527 /nfs/dbraw/zinc/07/35/27/181073527.db2.gz VAANPBGTOGEMFS-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1ccsc1 ZINC000061891135 181068502 /nfs/dbraw/zinc/06/85/02/181068502.db2.gz LMRKSZNLDYZBMA-MNOVXSKESA-N 0 0 206.314 2.530 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1ccc(F)cc1 ZINC000054824036 181068796 /nfs/dbraw/zinc/06/87/96/181068796.db2.gz NWOZUASYHXJRFT-YPMHNXCESA-N 0 0 218.275 2.608 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)Nc1ccccc1 ZINC000061889327 181069835 /nfs/dbraw/zinc/06/98/35/181069835.db2.gz PHBIUSBTFWOIFB-ZYHUDNBSSA-N 0 0 229.283 2.500 10 30 BFEERN N#C[C@H]1CCC[C@H]1Nc1ccccc1F ZINC000054824047 181070233 /nfs/dbraw/zinc/07/02/33/181070233.db2.gz JXSRXQUWPHVPQE-MWLCHTKSSA-N 0 0 204.248 2.930 10 30 BFEERN N#Cc1cc(-c2ccnc3n[nH]cc32)ccc1F ZINC000089224701 181081387 /nfs/dbraw/zinc/08/13/87/181081387.db2.gz OORKSVBLMLIXPR-UHFFFAOYSA-N 0 0 238.225 2.636 10 30 BFEERN CC(C)[C@@H](C#N)C(=O)[C@@H]1CCC(F)(F)C1 ZINC000301023048 363334595 /nfs/dbraw/zinc/33/45/95/363334595.db2.gz QQMRIBOZNZPYKW-RKDXNWHRSA-N 0 0 215.243 2.787 10 30 BFEERN N#Cc1c(F)cccc1N[C@H]1CCC[C@@H]1C#N ZINC000054825342 181076601 /nfs/dbraw/zinc/07/66/01/181076601.db2.gz YMMWNNVTMCWOOL-SKDRFNHKSA-N 0 0 229.258 2.802 10 30 BFEERN N#Cc1c(N)c(Cl)c(Cl)c(C#N)c1Cl ZINC000005826949 181077711 /nfs/dbraw/zinc/07/77/11/181077711.db2.gz TVPBUTWXLGJXNY-UHFFFAOYSA-N 0 0 246.484 2.972 10 30 BFEERN N#Cc1cc(-c2cccc(F)c2)oc1N ZINC000076193359 181080892 /nfs/dbraw/zinc/08/08/92/181080892.db2.gz KPIXXTAHUFVTGH-UHFFFAOYSA-N 0 0 202.188 2.540 10 30 BFEERN N#Cc1cc(Br)c2ccccc2n1 ZINC000067172053 181081382 /nfs/dbraw/zinc/08/13/82/181081382.db2.gz IHDYGNXQJMQIBI-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN N#Cc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000052859892 181087339 /nfs/dbraw/zinc/08/73/39/181087339.db2.gz QAHXODZQZVDSGX-SECBINFHSA-N 0 0 237.686 2.627 10 30 BFEERN N#Cc1ccc(-c2cccc(Cl)n2)nc1 ZINC000072204369 181094726 /nfs/dbraw/zinc/09/47/26/181094726.db2.gz JZZCALVDZPOMLB-UHFFFAOYSA-N 0 0 215.643 2.669 10 30 BFEERN N#Cc1ccc(-c2ccc(C=O)c(O)c2)cc1 ZINC000065341768 181094988 /nfs/dbraw/zinc/09/49/88/181094988.db2.gz NMNOZXKQNQDMIE-UHFFFAOYSA-N 0 0 223.231 2.743 10 30 BFEERN N#Cc1ccc(-c2n[nH]c3ccc(N)cc32)cc1 ZINC000076191256 181095591 /nfs/dbraw/zinc/09/55/91/181095591.db2.gz BJJKSRQHWSDYKC-UHFFFAOYSA-N 0 0 234.262 2.684 10 30 BFEERN N#Cc1cc(N)ccc1OCCc1cccs1 ZINC000049584552 181088933 /nfs/dbraw/zinc/08/89/33/181088933.db2.gz AEZMLTQZESKABM-UHFFFAOYSA-N 0 0 244.319 2.823 10 30 BFEERN N#Cc1cc(N)cnc1NCCC1CCCCC1 ZINC000037759211 181089008 /nfs/dbraw/zinc/08/90/08/181089008.db2.gz DQMAYIFGGVNSSK-UHFFFAOYSA-N 0 0 244.342 2.918 10 30 BFEERN N#Cc1cc(N)cnc1Oc1ccc(F)cc1F ZINC000037759232 181089862 /nfs/dbraw/zinc/08/98/62/181089862.db2.gz SRPUVHUFMQZKKB-UHFFFAOYSA-N 0 0 247.204 2.606 10 30 BFEERN N#Cc1ccc(COCC(F)(F)F)c(F)c1 ZINC000019426299 181110974 /nfs/dbraw/zinc/11/09/74/181110974.db2.gz OJKKTNMHZXSLIN-UHFFFAOYSA-N 0 0 233.164 2.776 10 30 BFEERN N#Cc1ccc(CSc2ccc(N)nc2)cc1 ZINC000037192648 181111004 /nfs/dbraw/zinc/11/10/04/181111004.db2.gz RTDUUAMXGQQLRY-UHFFFAOYSA-N 0 0 241.319 2.828 10 30 BFEERN N#Cc1ccc(NCC2(C3CC3)CC2)cn1 ZINC000131239765 181120123 /nfs/dbraw/zinc/12/01/23/181120123.db2.gz MPGIGYTYBNKYNX-UHFFFAOYSA-N 0 0 213.284 2.555 10 30 BFEERN N#Cc1ccc(NCCc2cccs2)c(N)c1 ZINC000035674400 181121350 /nfs/dbraw/zinc/12/13/50/181121350.db2.gz ULYDOGXKIRCOJY-UHFFFAOYSA-N 0 0 243.335 2.857 10 30 BFEERN N#Cc1ccc(NC[C@@H](O)c2cccs2)cc1 ZINC000037880551 181122165 /nfs/dbraw/zinc/12/21/65/181122165.db2.gz HMXVEKLQDLKRQG-GFCCVEGCSA-N 0 0 244.319 2.765 10 30 BFEERN N#Cc1ccc(Cl)cc1NC(=O)C1CCC1 ZINC000070268711 181111688 /nfs/dbraw/zinc/11/16/88/181111688.db2.gz ZISFJKSIDHDVEI-UHFFFAOYSA-N 0 0 234.686 2.950 10 30 BFEERN N#Cc1ccc(Cl)cc1NCc1c[nH]cn1 ZINC000054764305 181111959 /nfs/dbraw/zinc/11/19/59/181111959.db2.gz RRQQZXKFDYMDEI-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN N#Cc1ccc(N2CCCC23CCCC3)nc1 ZINC000310099644 181115133 /nfs/dbraw/zinc/11/51/33/181115133.db2.gz AYRFBKCRQGKBQZ-UHFFFAOYSA-N 0 0 227.311 2.866 10 30 BFEERN N#Cc1ccc(N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000054824096 181126117 /nfs/dbraw/zinc/12/61/17/181126117.db2.gz IRQFSFMSSVAJKQ-YPMHNXCESA-N 0 0 211.268 2.662 10 30 BFEERN N#Cc1ccc(Nc2c(F)cccc2F)nc1 ZINC000020476442 181126416 /nfs/dbraw/zinc/12/64/16/181126416.db2.gz PPDXWCFAMMJADI-UHFFFAOYSA-N 0 0 231.205 2.975 10 30 BFEERN N#Cc1ccc(OCc2ccncc2)cc1 ZINC000019422293 181128272 /nfs/dbraw/zinc/12/82/72/181128272.db2.gz MMSXQIZQTWLMQC-UHFFFAOYSA-N 0 0 210.236 2.532 10 30 BFEERN C[C@@H]1CCC[C@@]1(O)c1ccccc1C#N ZINC000521401506 259455772 /nfs/dbraw/zinc/45/57/72/259455772.db2.gz IQHJMOKJXKFJBL-MFKMUULPSA-N 0 0 201.269 2.566 10 30 BFEERN N#Cc1ccc([C@@H](C#N)N2CCCCCC2)cc1 ZINC000038086191 181130124 /nfs/dbraw/zinc/13/01/24/181130124.db2.gz AVCMPXSWYOVPNJ-OAHLLOKOSA-N 0 0 239.322 2.999 10 30 BFEERN N#Cc1cccc(NC[C@@H](O)c2cccs2)c1 ZINC000037879148 181141633 /nfs/dbraw/zinc/14/16/33/181141633.db2.gz ZMGUPAZDLCHJEK-GFCCVEGCSA-N 0 0 244.319 2.765 10 30 BFEERN N#Cc1cccc2nc(Cl)nc(Cl)c12 ZINC000095830217 181144195 /nfs/dbraw/zinc/14/41/95/181144195.db2.gz BULMVQCJSFIFJO-UHFFFAOYSA-N 0 0 224.050 2.808 10 30 BFEERN N#Cc1ccccc1NCC[C@H]1CCCO1 ZINC000037987018 181147788 /nfs/dbraw/zinc/14/77/88/181147788.db2.gz GWEHQVUYICMDOR-GFCCVEGCSA-N 0 0 216.284 2.539 10 30 BFEERN N#Cc1ccccc1NC(=O)c1cccc(O)c1 ZINC000019426192 181148225 /nfs/dbraw/zinc/14/82/25/181148225.db2.gz PRGBYHKOINMJLV-UHFFFAOYSA-N 0 0 238.246 2.516 10 30 BFEERN N#Cc1ccccc1N[C@@H]1CCC[C@@H]1C#N ZINC000054823939 181148649 /nfs/dbraw/zinc/14/86/49/181148649.db2.gz CBJFGWFVPAWKRX-DGCLKSJQSA-N 0 0 211.268 2.662 10 30 BFEERN N#Cc1ccccc1N[C@@H]1CCC[C@H]1C#N ZINC000054823941 181149024 /nfs/dbraw/zinc/14/90/24/181149024.db2.gz CBJFGWFVPAWKRX-WCQYABFASA-N 0 0 211.268 2.662 10 30 BFEERN N#Cc1cccnc1Oc1ccc2n[nH]cc2c1 ZINC000089196666 181154066 /nfs/dbraw/zinc/15/40/66/181154066.db2.gz OYRBOWRTVGBQKY-UHFFFAOYSA-N 0 0 236.234 2.622 10 30 BFEERN N#Cc1ccnc(N(Cc2ccco2)C2CC2)c1 ZINC000042693237 181155422 /nfs/dbraw/zinc/15/54/22/181155422.db2.gz YHLRMYDXHXVVIX-UHFFFAOYSA-N 0 0 239.278 2.715 10 30 BFEERN C=C[C@H]([NH3+])c1cc2c(s1)CCSC2 ZINC000130600566 363436133 /nfs/dbraw/zinc/43/61/33/363436133.db2.gz TVIFJNUAUSDBJL-QMMMGPOBSA-N 0 0 211.355 2.723 10 30 BFEERN CNN=C(C)c1ccc(Cl)cc1Cl ZINC000308217798 354889944 /nfs/dbraw/zinc/88/99/44/354889944.db2.gz AWJMBGPDLRAKAZ-UHFFFAOYSA-N 0 0 217.099 2.937 10 30 BFEERN N#Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000019723076 181165659 /nfs/dbraw/zinc/16/56/59/181165659.db2.gz HZPYMQYQWXBIAK-UHFFFAOYSA-N 0 0 204.616 2.867 10 30 BFEERN N#Cc1nc(Cl)c(-c2ccccc2)nc1C#N ZINC000039336220 181168803 /nfs/dbraw/zinc/16/88/03/181168803.db2.gz DFRQYBQBGUHFHV-UHFFFAOYSA-N 0 0 240.653 2.540 10 30 BFEERN N#Cc1nc(N2C[C@@H]3CCC[C@H]32)ccc1Cl ZINC000336340488 181168852 /nfs/dbraw/zinc/16/88/52/181168852.db2.gz DCFPSMSIICWFFT-GZMMTYOYSA-N 0 0 233.702 2.595 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1ccncc1Cl ZINC000335183657 355082060 /nfs/dbraw/zinc/08/20/60/355082060.db2.gz DOFHXQFVCIPOLU-BXKDBHETSA-N 0 0 235.718 2.517 10 30 BFEERN N#Cc1csc(C2CCSCC2)n1 ZINC000259940453 181166231 /nfs/dbraw/zinc/16/62/31/181166231.db2.gz YGJDCJLIWOTIAQ-UHFFFAOYSA-N 0 0 210.327 2.625 10 30 BFEERN N#Cc1nc(Br)c(F)cc1Cl ZINC000072204028 181167329 /nfs/dbraw/zinc/16/73/29/181167329.db2.gz VFWBDZYBRIIRHP-UHFFFAOYSA-N 0 0 235.443 2.508 10 30 BFEERN N/C(=N\O)c1ccccc1Oc1ccccc1F ZINC000020076203 181181160 /nfs/dbraw/zinc/18/11/60/181181160.db2.gz DTIAUEDKKSVHIN-UHFFFAOYSA-N 0 0 246.241 2.713 10 30 BFEERN N/C(CCCO[C@@H]1CCCc2ccccc21)=N\O ZINC000019475487 181182623 /nfs/dbraw/zinc/18/26/23/181182623.db2.gz ZYOPOKGOKJUXCX-CYBMUJFWSA-N 0 0 248.326 2.607 10 30 BFEERN CCCCC[C@H](C)Nc1nccc(C#N)n1 ZINC000231898289 168744018 /nfs/dbraw/zinc/74/40/18/168744018.db2.gz RSJAYCOKHKXWBH-JTQLQIEISA-N 0 0 218.304 2.729 10 30 BFEERN CN(C1=CC(=O)CC1)c1cccc(F)c1 ZINC000160233179 355354408 /nfs/dbraw/zinc/35/44/08/355354408.db2.gz ULQOTLVTBFGGTN-UHFFFAOYSA-N 0 0 205.232 2.509 10 30 BFEERN CN(C1=CC(=O)CC1)c1ccc(F)cc1 ZINC000160231507 355354883 /nfs/dbraw/zinc/35/48/83/355354883.db2.gz HNBPXKPKHGJPIY-UHFFFAOYSA-N 0 0 205.232 2.509 10 30 BFEERN CC[C@@H]1CCCN(C2=CC(=O)CC2)CC1 ZINC000160246952 355670087 /nfs/dbraw/zinc/67/00/87/355670087.db2.gz FXYRLLJTEGQOHV-LLVKDONJSA-N 0 0 207.317 2.745 10 30 BFEERN Cc1nc(C#Cc2cccnc2Cl)cs1 ZINC000013680984 355855974 /nfs/dbraw/zinc/85/59/74/355855974.db2.gz QLWMJSFCHZCXRN-UHFFFAOYSA-N 0 0 234.711 2.900 10 30 BFEERN Nc1ccc(C#CC(F)(F)F)c(Cl)c1 ZINC000675078442 538514584 /nfs/dbraw/zinc/51/45/84/538514584.db2.gz FZWAIJVGSNBKLB-UHFFFAOYSA-N 0 0 219.593 2.836 10 30 BFEERN CCOC(=O)[C@@H]1O[C@@]1(CC)C[C@H](C)CC ZINC000084324720 538531102 /nfs/dbraw/zinc/53/11/02/538531102.db2.gz OSHVBIZRLZFXBK-SCVCMEIPSA-N 0 0 214.305 2.533 10 30 BFEERN CCOC(=O)[C@@H]1O[C@]12CCC[C@@H](CC)CC2 ZINC000084324568 538531351 /nfs/dbraw/zinc/53/13/51/538531351.db2.gz KAVPCMXGPRMOJI-MDZLAQPJSA-N 0 0 226.316 2.677 10 30 BFEERN COC(=O)[C@@]1(C(C)C)O[C@]12CCCC2(C)C ZINC000086869208 538561084 /nfs/dbraw/zinc/56/10/84/538561084.db2.gz WSQKYLODEDIEJM-QWHCGFSZSA-N 0 0 226.316 2.533 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@]12CCCC[C@@H]2C ZINC000220853650 538547789 /nfs/dbraw/zinc/54/77/89/538547789.db2.gz GBCGNDKJFJNHCA-DRZSPHRISA-N 0 0 226.316 2.533 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@@]12CC[C@@H](CC)C2 ZINC000220824368 538547979 /nfs/dbraw/zinc/54/79/79/538547979.db2.gz UQNIVHONWBNLPY-RTXFEEFZSA-N 0 0 226.316 2.677 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@]1(C)CCC(C)C ZINC000086166053 538552645 /nfs/dbraw/zinc/55/26/45/538552645.db2.gz ZHLFAXDILTUUCC-OLZOCXBDSA-N 0 0 228.332 2.923 10 30 BFEERN CCC[C@@]1(C2CCCC2)O[C@]1(C)C(=O)OC ZINC000313426088 538579892 /nfs/dbraw/zinc/57/98/92/538579892.db2.gz YJRKUFJGNCGANQ-OLZOCXBDSA-N 0 0 226.316 2.677 10 30 BFEERN CCC[C@]1(C2CCCC2)O[C@]1(C)C(=O)OC ZINC000313426087 538579904 /nfs/dbraw/zinc/57/99/04/538579904.db2.gz YJRKUFJGNCGANQ-CHWSQXEVSA-N 0 0 226.316 2.677 10 30 BFEERN CCO/C=C/C(=O)c1ccc(Br)o1 ZINC000131801643 538598356 /nfs/dbraw/zinc/59/83/56/538598356.db2.gz HAJJFSOITFFZFC-AATRIKPKSA-N 0 0 245.072 2.775 10 30 BFEERN CCO/C=C/C(=O)c1ccc(C)c(F)c1 ZINC000087284360 538564585 /nfs/dbraw/zinc/56/45/85/538564585.db2.gz KUXKZHRPJAFBSN-VOTSOKGWSA-N 0 0 208.232 2.867 10 30 BFEERN CCOC(=O)C#Cc1cccc(Cl)c1Cl ZINC000135335509 538617592 /nfs/dbraw/zinc/61/75/92/538617592.db2.gz QAMJWAFXHPLFCH-UHFFFAOYSA-N 0 0 243.089 2.908 10 30 BFEERN C=C(Cl)CNc1nc2ccccc2[nH]1 ZINC000160551395 357058989 /nfs/dbraw/zinc/05/89/89/357058989.db2.gz WXEJJAYVNZAMLT-UHFFFAOYSA-N 0 0 207.664 2.727 10 30 BFEERN C#C[C@@H](NC)c1cc(Cl)ccc1Cl ZINC000130031820 357156908 /nfs/dbraw/zinc/15/69/08/357156908.db2.gz MUBLGLVCJMXEES-SNVBAGLBSA-N 0 0 214.095 2.887 10 30 BFEERN C=C(C)CNc1ccc(Br)cn1 ZINC000160658674 357159278 /nfs/dbraw/zinc/15/92/78/357159278.db2.gz RCCGFHDBPOFZAW-UHFFFAOYSA-N 0 0 227.105 2.832 10 30 BFEERN CCC[C@H]1C[C@@H]1NC(=O)C(C#N)(CC)CC ZINC000233376497 325186893 /nfs/dbraw/zinc/18/68/93/325186893.db2.gz DQNKDWCFCBZOHS-QWRGUYRKSA-N 0 0 222.332 2.621 10 30 BFEERN CC(C)(C)OC(=O)C#C[C@@H]1CCC(F)(F)C1 ZINC000685952903 538894776 /nfs/dbraw/zinc/89/47/76/538894776.db2.gz FVLWELRCHNTLEB-SECBINFHSA-N 0 0 230.254 2.767 10 30 BFEERN C[C@@H]1CC[C@]2(CCN(C(C)(C)C#N)C2)C1 ZINC000118968078 134224058 /nfs/dbraw/zinc/22/40/58/134224058.db2.gz OTQHONNTMLILJZ-YPMHNXCESA-N 0 0 206.333 2.801 10 30 BFEERN NC(=O)c1ccc(/N=C\c2ccc(F)cc2)cc1 ZINC000100227678 181293855 /nfs/dbraw/zinc/29/38/55/181293855.db2.gz HIAQYTGADHBGJW-MFOYZWKCSA-N 0 0 242.253 2.675 10 30 BFEERN C=CC(F)(F)c1cc(OC)cc(OC)c1 ZINC000584612810 358276362 /nfs/dbraw/zinc/27/63/62/358276362.db2.gz OLIVKNGLVLVRPW-UHFFFAOYSA-N 0 0 214.211 2.982 10 30 BFEERN O=CC1(C#Cc2ccc(Cl)cc2)CC1 ZINC000584612843 358276524 /nfs/dbraw/zinc/27/65/24/358276524.db2.gz QFPQYGKSUUWMPT-UHFFFAOYSA-N 0 0 204.656 2.671 10 30 BFEERN CC(=O)c1ccc(C#CC(F)(F)F)s1 ZINC000584613333 358277641 /nfs/dbraw/zinc/27/76/41/358277641.db2.gz CTLSYYHHTYXSCE-UHFFFAOYSA-N 0 0 218.199 2.865 10 30 BFEERN C=C(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000584614507 358279022 /nfs/dbraw/zinc/27/90/22/358279022.db2.gz WIUTXKMETKGGNJ-UHFFFAOYSA-N 0 0 237.255 2.731 10 30 BFEERN C#CC1CC(OCc2ccc(OC)cc2)C1 ZINC000584593122 358251066 /nfs/dbraw/zinc/25/10/66/358251066.db2.gz AIUOKBWGKATSHO-UHFFFAOYSA-N 0 0 216.280 2.624 10 30 BFEERN COc1ccc([C@](C)(CCC#N)C(C)=O)cc1 ZINC000584594663 358251732 /nfs/dbraw/zinc/25/17/32/358251732.db2.gz RGWAJZGRJRKWLM-CQSZACIVSA-N 0 0 231.295 2.846 10 30 BFEERN CCCCOc1ccc(C[C@@H](O)CC#N)cc1 ZINC000584594732 358251763 /nfs/dbraw/zinc/25/17/63/358251763.db2.gz WTMTYHCKCDWCSQ-ZDUSSCGKSA-N 0 0 233.311 2.683 10 30 BFEERN C=CCc1ccc(CCC(=O)OCC)cc1O ZINC000584596239 358253730 /nfs/dbraw/zinc/25/37/30/358253730.db2.gz HEZXBHOIHRGRED-UHFFFAOYSA-N 0 0 234.295 2.616 10 30 BFEERN CC(C)(C#N)[C@@](O)(c1ccc(F)cc1)C1CC1 ZINC000584596268 358254040 /nfs/dbraw/zinc/25/40/40/358254040.db2.gz KEUZLYWAEIREMT-AWEZNQCLSA-N 0 0 233.286 2.973 10 30 BFEERN N#CCC1(c2ccc(Br)cn2)CC1 ZINC000584602855 358260526 /nfs/dbraw/zinc/26/05/26/358260526.db2.gz FXEQXJIXMPINRI-UHFFFAOYSA-N 0 0 237.100 2.789 10 30 BFEERN COc1ccccc1[C@H]1CC[C@@H](C=O)C1 ZINC000584603136 358261144 /nfs/dbraw/zinc/26/11/44/358261144.db2.gz KKROFDMSWIYQCP-MNOVXSKESA-N 0 0 204.269 2.778 10 30 BFEERN [NH3+][C@H](/C(=N/[O-])c1ccccc1)c1ccccc1 ZINC000584603711 358262561 /nfs/dbraw/zinc/26/25/61/358262561.db2.gz KCVKKSLEPBLAEF-YZGLPLCXSA-N 0 0 226.279 2.565 10 30 BFEERN C=C(C(=O)OC)[C@@H](F)c1ccc(C)cc1 ZINC000584606682 358265990 /nfs/dbraw/zinc/26/59/90/358265990.db2.gz HDVCCTBXPIYCGO-LLVKDONJSA-N 0 0 208.232 2.735 10 30 BFEERN CO/N=C\C=C\c1c[nH]c2ccccc12 ZINC000584607217 358267392 /nfs/dbraw/zinc/26/73/92/358267392.db2.gz HVVJRSIVCIDZKY-VHIXKULTSA-N 0 0 200.241 2.813 10 30 BFEERN C=C(C)/C=C/S(=O)(=O)c1ccc(OC)cc1 ZINC000584609239 358270483 /nfs/dbraw/zinc/27/04/83/358270483.db2.gz BCFMOVXJKPAXRZ-CMDGGOBGSA-N 0 0 238.308 2.559 10 30 BFEERN C=C1CN(c2ccc(C(F)(F)F)cc2)C1=O ZINC000584631521 358313069 /nfs/dbraw/zinc/31/30/69/358313069.db2.gz FMZANYFYSIOVPJ-UHFFFAOYSA-N 0 0 227.185 2.608 10 30 BFEERN O=C1C=C2CC[C@H]([C@@H]3CC[C@H](O)C3)C[C@@H]2CC1 ZINC000584622835 358290620 /nfs/dbraw/zinc/29/06/20/358290620.db2.gz NYMYGWPWODIOAR-MEDZGJRSSA-N 0 0 234.339 2.853 10 30 BFEERN C=C[C@@](CO)(c1cccc(OC)c1)C(F)(F)F ZINC000584622784 358290623 /nfs/dbraw/zinc/29/06/23/358290623.db2.gz GUGRFYYOUSYRJB-LLVKDONJSA-N 0 0 246.228 2.674 10 30 BFEERN C=C(C)CC(F)(F)[C@@H](O)c1ccccn1 ZINC000584622677 358290865 /nfs/dbraw/zinc/29/08/65/358290865.db2.gz USDFKNHVPSVIIN-JTQLQIEISA-N 0 0 213.227 2.717 10 30 BFEERN CC(C)NC(=O)/C=C/C=C/c1ccc(C#N)cc1 ZINC000584624080 358291704 /nfs/dbraw/zinc/29/17/04/358291704.db2.gz QQXVKTWUXYLGHZ-GGWOSOGESA-N 0 0 240.306 2.652 10 30 BFEERN CC(=O)/C(C)=N/[C@H](C)Cc1ccccc1 ZINC000584624430 358292355 /nfs/dbraw/zinc/29/23/55/358292355.db2.gz IASPTPUYELPTOQ-PIYPRNMZSA-N 0 0 203.285 2.668 10 30 BFEERN N#CC[C@@H](O)Cc1ccc2ccccc2c1 ZINC000584626383 358295828 /nfs/dbraw/zinc/29/58/28/358295828.db2.gz ZIKZRJLXRHFKSC-CQSZACIVSA-N 0 0 211.264 2.657 10 30 BFEERN Cc1ccccc1-n1nc2cc(C#N)ccc2c1N ZINC000584626676 358295842 /nfs/dbraw/zinc/29/58/42/358295842.db2.gz SXEDBVNNODECAH-UHFFFAOYSA-N 0 0 248.289 2.788 10 30 BFEERN N#Cc1cc(OC2CCC(F)(F)CC2)ccn1 ZINC000584628431 358298026 /nfs/dbraw/zinc/29/80/26/358298026.db2.gz FYJVKTOFUHFNCR-UHFFFAOYSA-N 0 0 238.237 2.910 10 30 BFEERN COc1ccc(CCC(C)(C)C(=O)C#N)cc1 ZINC000584661242 358312444 /nfs/dbraw/zinc/31/24/44/358312444.db2.gz PRTZMEKJFVKHJS-UHFFFAOYSA-N 0 0 231.295 2.747 10 30 BFEERN CCOC(=O)CCO/N=C(\CC)c1ccccc1 ZINC000584644228 358329100 /nfs/dbraw/zinc/32/91/00/358329100.db2.gz ZAUXNXMLYQHKHQ-FYWRMAATSA-N 0 0 249.310 2.771 10 30 BFEERN C=C[C@@H](C)SC(=O)N(C)c1ccccn1 ZINC000584646808 358331578 /nfs/dbraw/zinc/33/15/78/358331578.db2.gz MDQBSVAZRXSNDW-SECBINFHSA-N 0 0 222.313 2.946 10 30 BFEERN C#C[C@@](C)(CCC[C@](C)(CC)OC)OC(C)=O ZINC000584647162 358331689 /nfs/dbraw/zinc/33/16/89/358331689.db2.gz KOMZAPCYHLWBHD-KBPBESRZSA-N 0 0 240.343 2.927 10 30 BFEERN Brc1ccnc(C#CC2CC2)c1 ZINC000584635503 358319243 /nfs/dbraw/zinc/31/92/43/358319243.db2.gz PJVNFHDNRYYSEY-UHFFFAOYSA-N 0 0 222.085 2.606 10 30 BFEERN COc1ccc(/N=C2/O[C@H](C)CS2)cc1 ZINC000584636201 358320656 /nfs/dbraw/zinc/32/06/56/358320656.db2.gz UVLRRTIEJZGGPZ-RWKJSZNZSA-N 0 0 223.297 2.835 10 30 BFEERN C=C[C@](O)(c1ccncc1)c1cccc(C)c1 ZINC000584636836 358321607 /nfs/dbraw/zinc/32/16/07/358321607.db2.gz GQQKJNNIMBEFLY-HNNXBMFYSA-N 0 0 225.291 2.812 10 30 BFEERN C=CC[C@H](CCO)COCc1ccccc1 ZINC000584638524 358323853 /nfs/dbraw/zinc/32/38/53/358323853.db2.gz AGMBOYDBZZCJOP-CYBMUJFWSA-N 0 0 220.312 2.778 10 30 BFEERN C[C@]1(C#N)CCCc2c3c(ccc21)OCO3 ZINC000584642346 358327756 /nfs/dbraw/zinc/32/77/56/358327756.db2.gz FRUGJVDPXGTRBI-CYBMUJFWSA-N 0 0 215.252 2.533 10 30 BFEERN C#C[C@H](NC)c1ccc(C)cc1Br ZINC000130139037 358435086 /nfs/dbraw/zinc/43/50/86/358435086.db2.gz VCQKXWZOVBIUEQ-NSHDSACASA-N 0 0 238.128 2.651 10 30 BFEERN C=C(C)CCn1cc2c(c1)C(=O)CCC2 ZINC000169110666 358938926 /nfs/dbraw/zinc/93/89/26/358938926.db2.gz BIQQMYSQAHODBC-UHFFFAOYSA-N 0 0 203.285 2.973 10 30 BFEERN C[C@H](N[C@@H]1CCCC[C@H]1C#N)c1cccnc1 ZINC000160913627 359020443 /nfs/dbraw/zinc/02/04/43/359020443.db2.gz NJGXTYKNLDCVRC-SGMGOOAPSA-N 0 0 229.327 2.815 10 30 BFEERN O=C(c1csc(Cl)c1)C1=CCCO1 ZINC000306182041 358996201 /nfs/dbraw/zinc/99/62/01/358996201.db2.gz WGFQAYWYEZXRKT-UHFFFAOYSA-N 0 0 214.673 2.888 10 30 BFEERN C=CCCC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000247040032 359188720 /nfs/dbraw/zinc/18/87/20/359188720.db2.gz STEPRFMCQHTZGV-IIAWOOMASA-N 0 0 241.334 2.655 10 30 BFEERN CC1(C)CC(=O)C=C(c2ccsn2)C1 ZINC000306214103 359314857 /nfs/dbraw/zinc/31/48/57/359314857.db2.gz YFDSMDAVQNJAEH-UHFFFAOYSA-N 0 0 207.298 2.916 10 30 BFEERN N#C[C@H]1CC[C@@H](Nc2ncc(Cl)s2)C1 ZINC000306219077 359337550 /nfs/dbraw/zinc/33/75/50/359337550.db2.gz MERJOMVOVGEXQH-NKWVEPMBSA-N 0 0 227.720 2.901 10 30 BFEERN N#CC1(CNc2csc(Cl)n2)CC1 ZINC000306251800 359462116 /nfs/dbraw/zinc/46/21/16/359462116.db2.gz UMVYXWRHJNAQEC-UHFFFAOYSA-N 0 0 213.693 2.512 10 30 BFEERN C=C1CCCN(c2csc(Cl)n2)C1 ZINC000306267618 359489133 /nfs/dbraw/zinc/48/91/33/359489133.db2.gz IVSBKJVVCJHCKN-UHFFFAOYSA-N 0 0 214.721 2.953 10 30 BFEERN O=C[C@H]1CC[C@H](c2ccsc2Cl)O1 ZINC000306268453 359489926 /nfs/dbraw/zinc/48/99/26/359489926.db2.gz JJKWPTKYOOLQOW-HTRCEHHLSA-N 0 0 216.689 2.821 10 30 BFEERN N#Cc1cc(Br)cnc1N=[N+]=[N-] ZINC000306296395 359540256 /nfs/dbraw/zinc/54/02/56/359540256.db2.gz LKYOYJNLXJAQCU-UHFFFAOYSA-N 0 0 224.021 2.658 10 30 BFEERN CSC[C@@H](C)C(=O)C#Cc1ccccc1 ZINC000306321901 359608730 /nfs/dbraw/zinc/60/87/30/359608730.db2.gz UHUITDZLSAIPES-LLVKDONJSA-N 0 0 218.321 2.606 10 30 BFEERN CSC[C@H](C)C(=O)C#Cc1ccccc1 ZINC000306321903 359609262 /nfs/dbraw/zinc/60/92/62/359609262.db2.gz UHUITDZLSAIPES-NSHDSACASA-N 0 0 218.321 2.606 10 30 BFEERN COc1cc(C(=O)C=C(C)C)ccc1F ZINC000169163007 359619422 /nfs/dbraw/zinc/61/94/22/359619422.db2.gz MLQIGESTBHSMCZ-UHFFFAOYSA-N 0 0 208.232 2.983 10 30 BFEERN CC#C[C@](C)(O)c1cccc(Br)c1 ZINC000306356864 359682358 /nfs/dbraw/zinc/68/23/58/359682358.db2.gz UAJJDMVJJPVXQU-NSHDSACASA-N 0 0 239.112 2.680 10 30 BFEERN Cc1nc(C)c(Br)c(N=[N+]=[N-])n1 ZINC000306374119 359708041 /nfs/dbraw/zinc/70/80/41/359708041.db2.gz PCJXCTPCXJQBPP-UHFFFAOYSA-N 0 0 228.053 2.798 10 30 BFEERN CC(C)=CC(=O)c1c(F)ccc(N)c1F ZINC000306407587 359790752 /nfs/dbraw/zinc/79/07/52/359790752.db2.gz KDAUFBJEUUPZHS-UHFFFAOYSA-N 0 0 211.211 2.696 10 30 BFEERN CCN[C@H](C#N)c1csc(Br)c1 ZINC000306453287 360045229 /nfs/dbraw/zinc/04/52/29/360045229.db2.gz XJPVJRSZKRNBIC-SSDOTTSWSA-N 0 0 245.145 2.685 10 30 BFEERN C=C(Cl)CNc1c(N)cccc1F ZINC000306458619 360055311 /nfs/dbraw/zinc/05/53/11/360055311.db2.gz ZYQZLGMOHXKEBJ-UHFFFAOYSA-N 0 0 200.644 2.572 10 30 BFEERN C#C[C@](C)(CC)Oc1cccc(Cl)n1 ZINC000306508092 360317129 /nfs/dbraw/zinc/31/71/29/360317129.db2.gz ANEJGSIZDJJABR-LLVKDONJSA-N 0 0 209.676 2.916 10 30 BFEERN C=CCN(C)c1cc(Br)ccc1N ZINC000306523708 360360290 /nfs/dbraw/zinc/36/02/90/360360290.db2.gz UPXMJMPHEVPVPC-UHFFFAOYSA-N 0 0 241.132 2.654 10 30 BFEERN N#Cc1c(Cl)cccc1OCCS ZINC000306542486 360412691 /nfs/dbraw/zinc/41/26/91/360412691.db2.gz ZCIOLUGRSJSIET-UHFFFAOYSA-N 0 0 213.689 2.520 10 30 BFEERN N#CCc1ccc(Cl)c(Cl)c1[N+](=O)[O-] ZINC000306555535 360430260 /nfs/dbraw/zinc/43/02/60/360430260.db2.gz LXZWMCPCUHZCPQ-UHFFFAOYSA-N 0 0 231.038 2.968 10 30 BFEERN C=C[C@H](C)ONCCCOCc1ccccc1 ZINC000306587345 360491581 /nfs/dbraw/zinc/49/15/81/360491581.db2.gz SDAYXAJKFWSZCU-ZDUSSCGKSA-N 0 0 235.327 2.689 10 30 BFEERN CC[C@H](C#N)N1CCC[C@H](SC)CC1 ZINC000300804593 360512890 /nfs/dbraw/zinc/51/28/90/360512890.db2.gz GBISNICEHJCCIZ-MNOVXSKESA-N 0 0 212.362 2.506 10 30 BFEERN C[C@@H](c1ccccc1)[C@@H]1CC(=O)C=CO1 ZINC000069850470 360702887 /nfs/dbraw/zinc/70/28/87/360702887.db2.gz MTYLITONYWLKLQ-GWCFXTLKSA-N 0 0 202.253 2.662 10 30 BFEERN C[C@H](C#N)CNC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000248527980 325610902 /nfs/dbraw/zinc/61/09/02/325610902.db2.gz DGVBTJPTXPZASM-QJPTWQEYSA-N 0 0 236.359 2.725 10 30 BFEERN N#Cc1ccc(OC(F)(F)F)nc1Cl ZINC000238533490 361143721 /nfs/dbraw/zinc/14/37/21/361143721.db2.gz FYHFUXAQUBHOID-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN CC(C)O[C@]1(C#N)CSCCC1(C)C ZINC000306636189 361387885 /nfs/dbraw/zinc/38/78/85/361387885.db2.gz AUXFNTHEUIAHHJ-LLVKDONJSA-N 0 0 213.346 2.837 10 30 BFEERN N#Cc1ccnc(C(F)F)c1OC(F)(F)F ZINC000381583923 361489854 /nfs/dbraw/zinc/48/98/54/361489854.db2.gz BGWXQDNWTOFJHN-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN O=C[C@@H]1CCC[C@@H](c2ccc(F)cc2)O1 ZINC000306639270 361592170 /nfs/dbraw/zinc/59/21/70/361592170.db2.gz CNIGVYIMMYQNND-RYUDHWBXSA-N 0 0 208.232 2.635 10 30 BFEERN CC(=O)/C=C/c1ccc(C)c([N+](=O)[O-])c1 ZINC000070586463 361573966 /nfs/dbraw/zinc/57/39/66/361573966.db2.gz UXYXGGQFBVKPJA-GQCTYLIASA-N 0 0 205.213 2.505 10 30 BFEERN C[C@H](C#N)CSc1ncccc1Cl ZINC000070614909 361629817 /nfs/dbraw/zinc/62/98/17/361629817.db2.gz GYLJQPYAUMDCIF-SSDOTTSWSA-N 0 0 212.705 2.987 10 30 BFEERN OCC#Cc1ccc(OCc2ccccc2)cc1 ZINC000037653958 364436118 /nfs/dbraw/zinc/43/61/18/364436118.db2.gz OBUNRMYEJABVGK-UHFFFAOYSA-N 0 0 238.286 2.609 10 30 BFEERN COC(=O)CC1([C@H]2CO2)CCC(C(C)C)CC1 ZINC000675053065 541430718 /nfs/dbraw/zinc/43/07/18/541430718.db2.gz KYYMYLMNBBFXRX-MBHSVXNSSA-N 0 0 240.343 2.781 10 30 BFEERN CCOC(=O)C[C@@]1([C@@H]2CO2)C[C@H](C)C[C@H](C)C1 ZINC000675053057 541430740 /nfs/dbraw/zinc/43/07/40/541430740.db2.gz KWULXXXTKYYALA-OPDFLTKYSA-N 0 0 240.343 2.781 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@]12CCCC[C@H]2C ZINC000252574537 541450190 /nfs/dbraw/zinc/45/01/90/541450190.db2.gz GBCGNDKJFJNHCA-WXHSDQCUSA-N 0 0 226.316 2.533 10 30 BFEERN CC[C@@H]1CCC[C@@]12O[C@@]2(C(=O)OC)C(C)C ZINC000232066195 541503563 /nfs/dbraw/zinc/50/35/63/541503563.db2.gz WPYJMCBKKMSWMQ-RAIGVLPGSA-N 0 0 226.316 2.533 10 30 BFEERN CC[C@@H]1CCC[C@]12O[C@@]2(C(=O)OC)C(C)C ZINC000232066201 541503793 /nfs/dbraw/zinc/50/37/93/541503793.db2.gz WPYJMCBKKMSWMQ-KGYLQXTDSA-N 0 0 226.316 2.533 10 30 BFEERN CCC[C@]1(CC)O[C@@]1(C(=O)OC)C(C)C ZINC000233367301 541508755 /nfs/dbraw/zinc/50/87/55/541508755.db2.gz QFPZEUBFWIHIFT-NWDGAFQWSA-N 0 0 214.305 2.533 10 30 BFEERN C=C(Cl)CNN1[C@@H](C)CCC[C@@H]1C ZINC000214979852 368072434 /nfs/dbraw/zinc/07/24/34/368072434.db2.gz OYXQOEWNOKTGON-UWVGGRQHSA-N 0 0 202.729 2.506 10 30 BFEERN O=C(C1=COCCC1)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000252905518 368163989 /nfs/dbraw/zinc/16/39/89/368163989.db2.gz SDTZFPCBLUBQHB-GDNZZTSVSA-N 0 0 206.285 2.686 10 30 BFEERN CCSc1cc(C#N)ccc1C(C)=O ZINC000161395470 368142428 /nfs/dbraw/zinc/14/24/28/368142428.db2.gz NYOVWOAJKDIYBX-UHFFFAOYSA-N 0 0 205.282 2.873 10 30 BFEERN Cc1ccnc(OCc2ccc(C#N)cc2)c1 ZINC000225971360 368368074 /nfs/dbraw/zinc/36/80/74/368368074.db2.gz LQGKBQXVGFTCED-UHFFFAOYSA-N 0 0 224.263 2.841 10 30 BFEERN N#Cc1c[nH]c(=O)c2c3ccc(Cl)cc3[nH]c21 ZINC000199912045 368353750 /nfs/dbraw/zinc/35/37/50/368353750.db2.gz XQYMIPJELPEEHT-UHFFFAOYSA-N 0 0 243.653 2.534 10 30 BFEERN CCOP(=O)(C#Cc1cccnc1)OCC ZINC000038255141 368407790 /nfs/dbraw/zinc/40/77/90/368407790.db2.gz WGSJIYGIKVGWIJ-UHFFFAOYSA-N 0 0 239.211 2.657 10 30 BFEERN C=CCOC(=O)CCCCCCCCCO ZINC000038813214 368409002 /nfs/dbraw/zinc/40/90/02/368409002.db2.gz FYNNYUHNSXDMJR-UHFFFAOYSA-N 0 0 228.332 2.829 10 30 BFEERN CCC[C@H](OC[C@@H]1CO1)c1ccccc1 ZINC000081170409 368579929 /nfs/dbraw/zinc/57/99/29/368579929.db2.gz RTUWTVUKLJWROC-STQMWFEESA-N 0 0 206.285 2.943 10 30 BFEERN Cc1cc(SCC=O)nc2ccccc12 ZINC000225497348 370923473 /nfs/dbraw/zinc/92/34/73/370923473.db2.gz BHKZHHLVCXMMDL-UHFFFAOYSA-N 0 0 217.293 2.834 10 30 BFEERN Cc1ccc(C(=O)/C=N/N2CCCCC2)cc1 ZINC000002013396 368734965 /nfs/dbraw/zinc/73/49/65/368734965.db2.gz BUCGSOZNEVWNJA-RVDMUPIBSA-N 0 0 230.311 2.649 10 30 BFEERN Cc1ccc2c(c1)nc(N)c1ncc(CC#N)cc21 ZINC000115149238 368976131 /nfs/dbraw/zinc/97/61/31/368976131.db2.gz XACNHACFNBGGDU-UHFFFAOYSA-N 0 0 248.289 2.740 10 30 BFEERN O=CCCCOc1cccc(Br)c1 ZINC000060710500 369030023 /nfs/dbraw/zinc/03/00/23/369030023.db2.gz LHCNDNZPBSLIIY-UHFFFAOYSA-N 0 0 243.100 2.807 10 30 BFEERN c1ccc2cc(COC[C@@H]3CO3)ccc2c1 ZINC000006118780 369031015 /nfs/dbraw/zinc/03/10/15/369031015.db2.gz JAVBKFHOUXSHNP-CQSZACIVSA-N 0 0 214.264 2.755 10 30 BFEERN N#CCc1csc(Br)c1 ZINC000215097768 369048629 /nfs/dbraw/zinc/04/86/29/369048629.db2.gz WLIVYRKILRWWEE-UHFFFAOYSA-N 0 0 202.076 2.577 10 30 BFEERN N#CCc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000250269801 369499104 /nfs/dbraw/zinc/49/91/04/369499104.db2.gz ZSRUHRKJZOUOME-CLLJXQQHSA-N 0 0 240.306 2.737 10 30 BFEERN C/C=C/C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000082237641 370972247 /nfs/dbraw/zinc/97/22/47/370972247.db2.gz YGHBGWVGRCIGPT-NSCUHMNNSA-N 0 0 220.659 2.726 10 30 BFEERN CC1CC(C(=O)Nc2cc(F)cc(C#N)c2)C1 ZINC000601714460 369668059 /nfs/dbraw/zinc/66/80/59/369668059.db2.gz IVYMEOPCLCNMQN-UHFFFAOYSA-N 0 0 232.258 2.682 10 30 BFEERN N#Cc1sc(Br)cc1F ZINC000514260867 369713347 /nfs/dbraw/zinc/71/33/47/369713347.db2.gz KBSSLDUELNSJRE-UHFFFAOYSA-N 0 0 206.039 2.521 10 30 BFEERN N#Cc1cc(F)ccc1NCC[C@@H]1CCCO1 ZINC000111026647 370046234 /nfs/dbraw/zinc/04/62/34/370046234.db2.gz OCRIBGWMPOILHS-LBPRGKRZSA-N 0 0 234.274 2.678 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1NCc1ccsc1 ZINC000063152793 370136585 /nfs/dbraw/zinc/13/65/85/370136585.db2.gz HAJIRZWHQULUBP-NWDGAFQWSA-N 0 0 220.341 2.920 10 30 BFEERN Cc1ccccc1[C@H](C)Nc1cc(C#N)ncn1 ZINC000310701585 370361708 /nfs/dbraw/zinc/36/17/08/370361708.db2.gz QYJOWTQEKWHUAM-NSHDSACASA-N 0 0 238.294 2.830 10 30 BFEERN N#Cc1ccc(N2c3ccccc3CC2=O)cc1 ZINC000113671533 370452413 /nfs/dbraw/zinc/45/24/13/370452413.db2.gz PAXNBXMWTXSDBK-UHFFFAOYSA-N 0 0 234.258 2.779 10 30 BFEERN O=[N+]([O-])c1ccc(/C=[N+](/[O-])c2ccccc2)cc1 ZINC000225389084 370474826 /nfs/dbraw/zinc/47/48/26/370474826.db2.gz IQCKWNXQLLLYGU-GXDHUFHOSA-N 0 0 243.242 2.747 10 30 BFEERN C#CC[C@@H](NN)c1cc(Cl)ccc1Cl ZINC000126652734 371542385 /nfs/dbraw/zinc/54/23/85/371542385.db2.gz ATCWFZREQRQFIK-SNVBAGLBSA-N 0 0 229.110 2.521 10 30 BFEERN C#C[C@@H]([NH3+])c1ccc(Cl)c(Br)c1 ZINC000126782976 371550895 /nfs/dbraw/zinc/55/08/95/371550895.db2.gz QWRZUCPAWMXTLI-SECBINFHSA-N 0 0 244.519 2.736 10 30 BFEERN CC(C)(C)OC(=O)NC1CCC(CC=O)CC1 ZINC000002518234 371566934 /nfs/dbraw/zinc/56/69/34/371566934.db2.gz OPGBSEXLSWYFOR-UHFFFAOYSA-N 0 0 241.331 2.659 10 30 BFEERN CC1(C)C[C@H]1Nc1cc(C#N)cc(Cl)n1 ZINC000215564593 371581326 /nfs/dbraw/zinc/58/13/26/371581326.db2.gz PZRHWQQXDJUYNB-MRVPVSSYSA-N 0 0 221.691 2.817 10 30 BFEERN C#C[C@@H](CC)Nc1ncnc(Cl)c1CC ZINC000230020308 371636411 /nfs/dbraw/zinc/63/64/11/371636411.db2.gz HUKAMXCSJHTRSI-QMMMGPOBSA-N 0 0 223.707 2.516 10 30 BFEERN C=C[C@@H](O)c1ccc(Br)c(F)c1 ZINC000162577764 371719201 /nfs/dbraw/zinc/71/92/01/371719201.db2.gz JEANJNUJYOPNBV-SECBINFHSA-N 0 0 231.064 2.808 10 30 BFEERN Cc1c(Cl)cc(N)c(C#N)c1Cl ZINC000131847211 371695083 /nfs/dbraw/zinc/69/50/83/371695083.db2.gz XXLNAGDWIGPBDR-UHFFFAOYSA-N 0 0 201.056 2.756 10 30 BFEERN Cc1cc(C(=O)[C@@H](C)C#N)c(F)cc1F ZINC000132026447 371743129 /nfs/dbraw/zinc/74/31/29/371743129.db2.gz JICAGRUZZWKRIP-ZETCQYMHSA-N 0 0 209.195 2.616 10 30 BFEERN Cc1cc(F)ccc1CC1=CC(=O)CC1 ZINC000163408644 371990286 /nfs/dbraw/zinc/99/02/86/371990286.db2.gz JXYLAQROCSWYDB-UHFFFAOYSA-N 0 0 204.244 2.966 10 30 BFEERN N#CC1(Cc2cncc(Br)c2)CC1 ZINC000306147877 371991166 /nfs/dbraw/zinc/99/11/66/371991166.db2.gz ABVBHFWYBNWRQH-UHFFFAOYSA-N 0 0 237.100 2.690 10 30 BFEERN C[C@H](C#N)N1CCc2sccc2[C@@H]1C ZINC000217690315 371998566 /nfs/dbraw/zinc/99/85/66/371998566.db2.gz YUIKDWWEQQTQTQ-BDAKNGLRSA-N 0 0 206.314 2.579 10 30 BFEERN COc1cc(F)c(Br)c(CC#N)c1 ZINC000217435766 371955008 /nfs/dbraw/zinc/95/50/08/371955008.db2.gz NXRFJUQBFUIXED-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN COc1c(Br)cc(F)cc1CC#N ZINC000217435462 371955490 /nfs/dbraw/zinc/95/54/90/371955490.db2.gz QCHCFPBOAFHQBK-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN C=C([C@@H](O)c1csc(C)n1)C(F)(F)F ZINC000306587307 372040746 /nfs/dbraw/zinc/04/07/46/372040746.db2.gz UTRNEBGUNLEIGB-SSDOTTSWSA-N 0 0 223.219 2.603 10 30 BFEERN OCCCC#Cc1sccc1Br ZINC000163526876 372007172 /nfs/dbraw/zinc/00/71/72/372007172.db2.gz HRTGSZFNVNWWOL-UHFFFAOYSA-N 0 0 245.141 2.635 10 30 BFEERN O=C1C=C(Cc2coc(Br)c2)CC1 ZINC000307346078 372114272 /nfs/dbraw/zinc/11/42/72/372114272.db2.gz WIGKBAITTNSLTQ-UHFFFAOYSA-N 0 0 241.084 2.874 10 30 BFEERN CC(C)(C)C#CCn1ccc(Br)n1 ZINC000307374885 372117131 /nfs/dbraw/zinc/11/71/31/372117131.db2.gz UMWLUIQUGBNXRU-UHFFFAOYSA-N 0 0 241.132 2.695 10 30 BFEERN Cc1cc(F)c(F)cc1OCCS ZINC000307647387 372136561 /nfs/dbraw/zinc/13/65/61/372136561.db2.gz NNMKYKNYFYAMSG-UHFFFAOYSA-N 0 0 204.241 2.582 10 30 BFEERN C=C(Cl)CNc1nc(F)c(F)cc1F ZINC000229315330 372140667 /nfs/dbraw/zinc/14/06/67/372140667.db2.gz ADXRFXNEUJQXDF-UHFFFAOYSA-N 0 0 222.597 2.663 10 30 BFEERN CC#CCCNc1cccc(Br)n1 ZINC000229331712 372144144 /nfs/dbraw/zinc/14/41/44/372144144.db2.gz RNZDRKAPZCNKLC-UHFFFAOYSA-N 0 0 239.116 2.669 10 30 BFEERN C#C[C@@H](C)Nc1cc(Cl)nc(CCC)n1 ZINC000229336156 372144427 /nfs/dbraw/zinc/14/44/27/372144427.db2.gz JYFBNAIVETXCBH-MRVPVSSYSA-N 0 0 223.707 2.516 10 30 BFEERN O=C(CCCCS)Nc1ccccc1 ZINC000013609348 181910333 /nfs/dbraw/zinc/91/03/33/181910333.db2.gz AGRMYYLOBIRRKQ-UHFFFAOYSA-N 0 0 209.314 2.725 10 30 in-vivo BFEERN N#Cc1ccc(-c2nc3cccnc3o2)cc1 ZINC000039233192 372912235 /nfs/dbraw/zinc/91/22/35/372912235.db2.gz WZSGGDUJCDRQGS-UHFFFAOYSA-N 0 0 221.219 2.761 10 30 BFEERN N#Cc1cc(Cl)c(C(F)(F)F)cc1N ZINC000039256167 372919006 /nfs/dbraw/zinc/91/90/06/372919006.db2.gz CFNRMBNGZTXZEO-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN C[C@@H](CC#N)NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000183515939 205682578 /nfs/dbraw/zinc/68/25/78/205682578.db2.gz YBSSVBPIVINWBG-WOPDTQHZSA-N 0 0 236.359 2.867 10 30 BFEERN CCCCN[C@H](C#N)c1ccc(N(C)C)cc1 ZINC000020174597 168875745 /nfs/dbraw/zinc/87/57/45/168875745.db2.gz LQAVAWFVKOEIRD-CQSZACIVSA-N 0 0 231.343 2.707 10 30 BFEERN OCC#Cc1ccccc1COC1CCCCC1 ZINC000049619819 183033218 /nfs/dbraw/zinc/03/32/18/183033218.db2.gz VJBWGTSJUZSQBN-UHFFFAOYSA-N 0 0 244.334 2.880 10 30 BFEERN CCCC[C@H](C)NC(=O)[C@H](C#N)c1ccccc1 ZINC000061615497 168989432 /nfs/dbraw/zinc/98/94/32/168989432.db2.gz BQRJBLQJYGFWJH-GXTWGEPZSA-N 0 0 244.338 2.989 10 30 BFEERN CCCN(CC(F)(F)F)c1cc(C#N)ccn1 ZINC000042780605 169107919 /nfs/dbraw/zinc/10/79/19/169107919.db2.gz JAZSRHGIIXIUTN-UHFFFAOYSA-N 0 0 243.232 2.732 10 30 BFEERN CCCN[C@H](C#N)c1ccc(Cl)cc1 ZINC000020174121 169284168 /nfs/dbraw/zinc/28/41/68/169284168.db2.gz OUMWTUILIQCCOC-LLVKDONJSA-N 0 0 208.692 2.904 10 30 BFEERN CCCN[C@H](C#N)c1ccccc1Cl ZINC000020173628 169283741 /nfs/dbraw/zinc/28/37/41/169283741.db2.gz IKDHTOBYPIFNPV-LLVKDONJSA-N 0 0 208.692 2.904 10 30 BFEERN CCCN[C@@]1(C#N)CCSc2ccccc21 ZINC000020380709 169283769 /nfs/dbraw/zinc/28/37/69/169283769.db2.gz ARILDMNNNAZPJV-CYBMUJFWSA-N 0 0 232.352 2.901 10 30 BFEERN CCCOc1c(C#N)cnc2ccccc21 ZINC000036913474 169312810 /nfs/dbraw/zinc/31/28/10/169312810.db2.gz KEUSMMMLQCNBRQ-UHFFFAOYSA-N 0 0 212.252 2.895 10 30 BFEERN CCCNc1ncc(Br)cc1C#N ZINC000074370296 169296441 /nfs/dbraw/zinc/29/64/41/169296441.db2.gz GOYBIYKFOAPQBR-UHFFFAOYSA-N 0 0 240.104 2.538 10 30 BFEERN CCC[C@@H](C#N)NC(=O)Nc1cccc(C)c1 ZINC000040220787 169342928 /nfs/dbraw/zinc/34/29/28/169342928.db2.gz DWINIHBKHIYGSA-LBPRGKRZSA-N 0 0 231.299 2.809 10 30 BFEERN N#CC1(c2ccc(F)c(F)c2)CCOCC1 ZINC000087493419 383847273 /nfs/dbraw/zinc/84/72/73/383847273.db2.gz CGJHFYZMACVVIB-UHFFFAOYSA-N 0 0 223.222 2.537 10 30 BFEERN CC(=O)c1cc2cc(C#N)ccc2s1 ZINC000067172044 383913097 /nfs/dbraw/zinc/91/30/97/383913097.db2.gz KRWKXIWOVVQPNH-UHFFFAOYSA-N 0 0 201.250 2.976 10 30 BFEERN C#CCCCC(=O)N[C@H](C)c1ccc(C)o1 ZINC000191932972 533020560 /nfs/dbraw/zinc/02/05/60/533020560.db2.gz RFUXEKKXJMKMMB-LLVKDONJSA-N 0 0 219.284 2.569 10 30 BFEERN C=CC[C@@H](C)NC(=O)N[C@@H](C)c1ccc(C)o1 ZINC000116944098 383941838 /nfs/dbraw/zinc/94/18/38/383941838.db2.gz SVDNWZWBVLFHQI-KOLCDFICSA-N 0 0 236.315 2.913 10 30 BFEERN N#CCc1[nH]nc2cc(C(F)(F)F)ccc21 ZINC000089195953 383941965 /nfs/dbraw/zinc/94/19/65/383941965.db2.gz AINNMQXWNPSXAL-UHFFFAOYSA-N 0 0 225.173 2.648 10 30 BFEERN Cc1cc(C#N)c(C(F)(F)F)cc1CC#N ZINC000575649526 383972133 /nfs/dbraw/zinc/97/21/33/383972133.db2.gz SFEMTZWHNHDREV-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN N#CCc1cc(F)c(OC(F)(F)F)cc1C#N ZINC000575646020 384189007 /nfs/dbraw/zinc/18/90/07/384189007.db2.gz GXLLICLOYANQCS-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN N#CCCC(=O)c1cc(F)c(F)cc1F ZINC000236156629 384196181 /nfs/dbraw/zinc/19/61/81/384196181.db2.gz ZDGOMFROHMYTAU-UHFFFAOYSA-N 0 0 213.158 2.590 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1cc(C#N)ccn1 ZINC000233429130 384343480 /nfs/dbraw/zinc/34/34/80/384343480.db2.gz HPGSYPDOUDUGOS-WDEREUQCSA-N 0 0 201.273 2.554 10 30 BFEERN C[C@H]1OCC[C@H]1Nc1ccc(Cl)cc1C#N ZINC000134558873 384352924 /nfs/dbraw/zinc/35/29/24/384352924.db2.gz DGDVEJPUPFLGAG-LDYMZIIASA-N 0 0 236.702 2.801 10 30 BFEERN CO[C@]1(C(F)(F)F)C=CC=C[C@@H]1CC#N ZINC000095080784 384359268 /nfs/dbraw/zinc/35/92/68/384359268.db2.gz JXQZTVJRBSOUNR-RKDXNWHRSA-N 0 0 217.190 2.590 10 30 BFEERN N#Cc1ccc(F)cc1CN1C[C@@H]2CCC[C@@H]21 ZINC000335771128 384374688 /nfs/dbraw/zinc/37/46/88/384374688.db2.gz UFKZTBAHEKHFGI-FZMZJTMJSA-N 0 0 230.286 2.682 10 30 BFEERN CCc1ccc(OC(F)F)c(CC#N)c1OC ZINC000575659281 384401094 /nfs/dbraw/zinc/40/10/94/384401094.db2.gz ZAPGRMDHTKYTBF-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN COc1cc(OC(F)F)c(CC#N)cc1F ZINC000575659708 384403651 /nfs/dbraw/zinc/40/36/51/384403651.db2.gz JHHGALAZUHKKHQ-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN CCc1cc([N+](=O)[O-])c(C#N)cc1OC(F)F ZINC000575660568 384416061 /nfs/dbraw/zinc/41/60/61/384416061.db2.gz YWTGCFRWQXVSKA-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN Cc1[nH]c2ncc(Cl)cc2c1CC#N ZINC000095937207 384417403 /nfs/dbraw/zinc/41/74/03/384417403.db2.gz QPEHKRJPLJNMRM-UHFFFAOYSA-N 0 0 205.648 2.591 10 30 BFEERN Cc1c(F)cc(CC#N)cc1OC(F)F ZINC000575661959 384417824 /nfs/dbraw/zinc/41/78/24/384417824.db2.gz XGSOKHXNSJGKSR-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN Cc1cc(OC(F)F)c(F)cc1CC#N ZINC000575661935 384418984 /nfs/dbraw/zinc/41/89/84/384418984.db2.gz WIACBZMLAZKBKZ-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN O=CCCc1cccc(C(F)(F)F)c1F ZINC000095699050 384387855 /nfs/dbraw/zinc/38/78/55/384387855.db2.gz KGYBRSYEFVWNEZ-UHFFFAOYSA-N 0 0 220.165 2.976 10 30 BFEERN CCOc1cc(CC#N)c(O)cc1C(F)F ZINC000575665969 384435337 /nfs/dbraw/zinc/43/53/37/384435337.db2.gz JDDMKMAJGPTKBO-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN Cc1cc(CC#N)c([N+](=O)[O-])cc1OC(F)F ZINC000575666239 384438594 /nfs/dbraw/zinc/43/85/94/384438594.db2.gz HMCWXVGEQBHVLK-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN COc1ccc(C(F)(F)F)c(OC)c1C#N ZINC000575672096 384465333 /nfs/dbraw/zinc/46/53/33/384465333.db2.gz VGDNZJWKYIUPAA-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN O=CCOc1ccccc1-c1ccccc1 ZINC000011584327 384474283 /nfs/dbraw/zinc/47/42/83/384474283.db2.gz CDWVEXHOYQSRJO-UHFFFAOYSA-N 0 0 212.248 2.931 10 30 BFEERN N#Cc1cccc(-n2ccc(-c3ccccn3)n2)c1 ZINC000013582319 384490107 /nfs/dbraw/zinc/49/01/07/384490107.db2.gz FUXJRPCONXOULZ-UHFFFAOYSA-N 0 0 246.273 2.806 10 30 in-vivo BFEERN Cc1nc2c(cc(C#N)cc2Br)[nH]1 ZINC000260961335 384540698 /nfs/dbraw/zinc/54/06/98/384540698.db2.gz RCNCHDDFAYNHMF-UHFFFAOYSA-N 0 0 236.072 2.506 10 30 BFEERN COc1c(C#N)ccc(C(F)(F)F)c1OC ZINC000258322526 384565375 /nfs/dbraw/zinc/56/53/75/384565375.db2.gz CCRFHMVVPJWEAE-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN CC[C@H](NC(=O)C(C)(C)C#N)c1ccccc1 ZINC000050197526 384606505 /nfs/dbraw/zinc/60/65/05/384606505.db2.gz GTBAFHNTJVOXKJ-LBPRGKRZSA-N 0 0 230.311 2.804 10 30 BFEERN C[C@H](N/C=C/C(=O)C(F)(F)F)c1ccccc1 ZINC000100039375 384611254 /nfs/dbraw/zinc/61/12/54/384611254.db2.gz FVGVHYUYESBBLJ-FLOXNTQESA-N 0 0 243.228 2.982 10 30 BFEERN C/C=C\C(=O)c1cc(OC)c(OC)cc1C ZINC000100286148 384631180 /nfs/dbraw/zinc/63/11/80/384631180.db2.gz KOWZBVFGLGGOHC-WAYWQWQTSA-N 0 0 220.268 2.771 10 30 BFEERN CC[C@@H](NC(=O)C1(C#N)CCCC1)C(C)C ZINC000044386136 384664018 /nfs/dbraw/zinc/66/40/18/384664018.db2.gz FQJQNOSJFFUESR-LLVKDONJSA-N 0 0 222.332 2.621 10 30 BFEERN Cc1cc(O)c(Br)c(CC#N)c1 ZINC000575691215 384646533 /nfs/dbraw/zinc/64/65/33/384646533.db2.gz KCPDVRYZVPELCQ-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN CC[C@H](Nc1cc(C#N)ccn1)C(C)C ZINC000044386460 384657441 /nfs/dbraw/zinc/65/74/41/384657441.db2.gz QKTICSHTTQOWMS-NSHDSACASA-N 0 0 203.289 2.800 10 30 BFEERN CC1=C2C[C@H]3C(C)=CC(=O)C[C@]3(C)C[C@@H]2OC1=O ZINC000096023835 384678391 /nfs/dbraw/zinc/67/83/91/384678391.db2.gz HVQUXKMKKKGSSD-KCQAQPDRSA-N 0 0 246.306 2.564 10 30 biogenic BFEERN N#Cc1cncc(Cl)c1C(F)(F)F ZINC000011919476 384706821 /nfs/dbraw/zinc/70/68/21/384706821.db2.gz WQGBVWXXKHRAIR-UHFFFAOYSA-N 0 0 206.554 2.625 10 30 BFEERN C=C(C)CNC(=O)N[C@H](C)c1ccc(C)o1 ZINC000156404055 384861906 /nfs/dbraw/zinc/86/19/06/384861906.db2.gz UHVPEVJLVTXZKN-SNVBAGLBSA-N 0 0 222.288 2.524 10 30 BFEERN C[C@@]1(c2ccccc2C(F)(F)F)CO1 ZINC000055032409 384864803 /nfs/dbraw/zinc/86/48/03/384864803.db2.gz YUSBYYGGAIUFJP-VIFPVBQESA-N 0 0 202.175 2.951 10 30 BFEERN N#CCc1ccc(Cl)c(Br)c1N ZINC000575714734 384865804 /nfs/dbraw/zinc/86/58/04/384865804.db2.gz QQKJSZUMJCLQOH-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN CN(Cc1cccs1)CC1(C#N)CCC1 ZINC000258801305 384934639 /nfs/dbraw/zinc/93/46/39/384934639.db2.gz APFYIPQQOQSHFW-UHFFFAOYSA-N 0 0 220.341 2.874 10 30 BFEERN C[N@H+](CCc1cccs1)CC1(C#N)CCC1 ZINC000258839350 384947368 /nfs/dbraw/zinc/94/73/68/384947368.db2.gz DYQVJTNUYCKTBN-UHFFFAOYSA-N 0 0 234.368 2.916 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)C1CCCCCC1 ZINC000061888455 384986647 /nfs/dbraw/zinc/98/66/47/384986647.db2.gz ACFWSACDVSMOMF-CHWSQXEVSA-N 0 0 234.343 2.765 10 30 BFEERN Cc1cc(N2C[C@H](C)[C@@H](C)C2)c(C#N)c(C)n1 ZINC000157458093 385188782 /nfs/dbraw/zinc/18/87/82/385188782.db2.gz OCNXQQDBDXIMSI-UWVGGRQHSA-N 0 0 229.327 2.662 10 30 BFEERN O=C(C#Cc1ccccc1)Cc1ccccc1 ZINC000015772937 385343818 /nfs/dbraw/zinc/34/38/18/385343818.db2.gz IWCMRVFONGZPMZ-UHFFFAOYSA-N 0 0 220.271 2.850 10 30 BFEERN CC(C)(C)OC(=O)n1ccc2ccc(C#N)nc21 ZINC000095643249 385410865 /nfs/dbraw/zinc/41/08/65/385410865.db2.gz MCQXNMBDBCEVIP-UHFFFAOYSA-N 0 0 243.266 2.691 10 30 BFEERN Cc1ccccc1[C@H](C)NC(=O)NC[C@H](C)C#N ZINC000182293059 385602657 /nfs/dbraw/zinc/60/26/57/385602657.db2.gz ZEYCFZFMDWWMKP-PWSUYJOCSA-N 0 0 245.326 2.515 10 30 BFEERN Nc1ccc(C#Cc2n[nH]c3ccccc23)cc1 ZINC000066263421 385839385 /nfs/dbraw/zinc/83/93/85/385839385.db2.gz AIAQIHMLOXYLOD-UHFFFAOYSA-N 0 0 233.274 2.545 10 30 BFEERN CC[C@@H]1C[C@@H]1Nc1ccc([N+](=O)[O-])c(C#N)c1 ZINC000231717349 386150465 /nfs/dbraw/zinc/15/04/65/386150465.db2.gz LIIZCLZQIVDVAQ-KCJUWKMLSA-N 0 0 231.255 2.677 10 30 BFEERN CC[C@H](C#N)C(=O)NC1CCC(CC)CC1 ZINC000044825059 386163183 /nfs/dbraw/zinc/16/31/83/386163183.db2.gz AYAGZDADSKDLHS-MOENNCHZSA-N 0 0 222.332 2.621 10 30 BFEERN CC1(C)[C@H]2CC[C@]1(C)/C(=N\OC[C@@H]1CO1)C2 ZINC000038534223 386135701 /nfs/dbraw/zinc/13/57/01/386135701.db2.gz OJBHYQHZQDEUEM-ARYROACISA-N 0 0 223.316 2.604 10 30 BFEERN C/C=C/C(=O)c1ccc(N)c(Br)c1 ZINC000575577520 386199076 /nfs/dbraw/zinc/19/90/76/386199076.db2.gz HCTODZFIQUBWFB-NSCUHMNNSA-N 0 0 240.100 2.790 10 30 BFEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)c(C)c1 ZINC000061889126 386493475 /nfs/dbraw/zinc/49/34/75/386493475.db2.gz SRSTZRWIEJFLKY-JSGCOSHPSA-N 0 0 242.322 2.726 10 30 BFEERN C=CC1CCN(C(=O)[C@H]2CCC[C@H]2C)CC1 ZINC000335443797 386507464 /nfs/dbraw/zinc/50/74/64/386507464.db2.gz BVABCBAKKJWXNT-YPMHNXCESA-N 0 0 221.344 2.847 10 30 BFEERN CC(C)CC(C)(C)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000408421205 386565052 /nfs/dbraw/zinc/56/50/52/386565052.db2.gz GWABQYDUYHUZJI-NEPJUHHUSA-N 0 0 236.359 2.867 10 30 BFEERN N#C[C@@]1(Br)CCCC12CCOCC2 ZINC000300965831 386635568 /nfs/dbraw/zinc/63/55/68/386635568.db2.gz REAOSVWDMVGOLF-JTQLQIEISA-N 0 0 244.132 2.624 10 30 BFEERN Cc1cccc(C)c1NC(=O)/N=C1\CCCN1C ZINC000012409258 386642635 /nfs/dbraw/zinc/64/26/35/386642635.db2.gz PAXRPWSXCPTPCA-NTCAYCPXSA-N 0 0 245.326 2.959 10 30 in-man BFEERN N#CCc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1 ZINC000575338342 386685045 /nfs/dbraw/zinc/68/50/45/386685045.db2.gz CLFXSDHLBXHMEA-UHFFFAOYSA-N 0 0 246.144 2.559 10 30 BFEERN CCOC(=O)c1cc(C(F)F)c(C)cc1C#N ZINC000575343628 386690714 /nfs/dbraw/zinc/69/07/14/386690714.db2.gz SVDIUTHKGQQKAC-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN CCOC(=O)c1cc(C)cc(C#N)c1C(F)F ZINC000575343671 386690900 /nfs/dbraw/zinc/69/09/00/386690900.db2.gz YZZWJCRAOVGTQX-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)Cc1cc(C(F)F)c(C#N)cc1C ZINC000575343685 386691959 /nfs/dbraw/zinc/69/19/59/386691959.db2.gz ARKYEIWWKGDCIP-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN CCOC(=O)Cc1ccc(CC)c(CC)c1C#N ZINC000575385178 386942831 /nfs/dbraw/zinc/94/28/31/386942831.db2.gz ABGCZWBKQHRARA-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)Cc1cc(CC)cc(CC)c1C#N ZINC000575385346 386943580 /nfs/dbraw/zinc/94/35/80/386943580.db2.gz MAGBVFOVESCVJN-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)Cc1ccc(C#N)c(CC)c1CC ZINC000575385363 386943880 /nfs/dbraw/zinc/94/38/80/386943880.db2.gz MWGBGTMHMZXKCJ-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)c1c(CC)ccc(C#N)c1CC ZINC000575385606 386945921 /nfs/dbraw/zinc/94/59/21/386945921.db2.gz RKLFGIVBUKCECM-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)c1ccc(F)c(C#N)c1C(F)F ZINC000575389456 386952917 /nfs/dbraw/zinc/95/29/17/386952917.db2.gz IRVLLNWZRMRJFX-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)Cc1cc(CC)c(C#N)cc1C ZINC000575388994 386953015 /nfs/dbraw/zinc/95/30/15/386953015.db2.gz PHKWPKBTGTWJIS-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOC(=O)Cc1cc(C#N)c([S-])cc1CC ZINC000575387994 386958816 /nfs/dbraw/zinc/95/88/16/386958816.db2.gz IPQKWNGMOLTLDA-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN COC(=O)c1cc(C)c(C(F)(F)F)c(C#N)c1 ZINC000575394258 386992879 /nfs/dbraw/zinc/99/28/79/386992879.db2.gz AGFMWMXEZVZTBJ-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN CN(C)c1ccc(CC#N)cc1OC(F)(F)F ZINC000575397021 386998110 /nfs/dbraw/zinc/99/81/10/386998110.db2.gz UTRKOSSQFGXHFD-UHFFFAOYSA-N 0 0 244.216 2.717 10 30 BFEERN COC(=O)c1ccc(C(F)(F)F)c(C)c1C#N ZINC000575394657 386998531 /nfs/dbraw/zinc/99/85/31/386998531.db2.gz IOGOKLBADVFRFN-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN CN(C)c1cc(OC(F)(F)F)ccc1CC#N ZINC000575397007 387003512 /nfs/dbraw/zinc/00/35/12/387003512.db2.gz POKAZZIJYITEJU-UHFFFAOYSA-N 0 0 244.216 2.717 10 30 BFEERN CCOC(=O)Cc1cc(C)cc(C#N)c1CC ZINC000575388777 386950857 /nfs/dbraw/zinc/95/08/57/386950857.db2.gz FBHNNLFJCVGDPC-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1cc(CC#N)cc(OC)c1OC(F)F ZINC000575655487 387039196 /nfs/dbraw/zinc/03/91/96/387039196.db2.gz AAYRXIYLFCXNNT-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1ccc(C)c(C#N)c1OC(F)F ZINC000575655752 387039631 /nfs/dbraw/zinc/03/96/31/387039631.db2.gz ATPWMQWHOOZBMY-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1c(C)cc(C#N)cc1OC(F)F ZINC000575656601 387042110 /nfs/dbraw/zinc/04/21/10/387042110.db2.gz IXQSEDLFOSGKBF-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1ccc(C)c(OC(F)F)c1C#N ZINC000575657593 387045892 /nfs/dbraw/zinc/04/58/92/387045892.db2.gz ONZLRDGPJSZIGR-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCc1c(C#N)ccc(OC(F)F)c1[N+](=O)[O-] ZINC000575659466 387047547 /nfs/dbraw/zinc/04/75/47/387047547.db2.gz NAHRSWUEUQPQRR-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN CCOc1cc(C#N)cc(OC(F)F)c1C ZINC000575658782 387049372 /nfs/dbraw/zinc/04/93/72/387049372.db2.gz WAZXYZJVSYZWRM-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN COc1ccc(F)c(OC(F)F)c1CC#N ZINC000575660669 387050952 /nfs/dbraw/zinc/05/09/52/387050952.db2.gz WVWDPJXPVXSIHS-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN COc1cc(F)c(OC(F)F)cc1CC#N ZINC000575659722 387052337 /nfs/dbraw/zinc/05/23/37/387052337.db2.gz JXDGLTPBJLEHPH-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN Cc1c(C#N)ccc(OC(F)F)c1F ZINC000575661090 387054679 /nfs/dbraw/zinc/05/46/79/387054679.db2.gz INSBSYVQINTGRX-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN Cc1cc(F)c(C#N)c(OC(F)F)c1 ZINC000575661711 387111865 /nfs/dbraw/zinc/11/18/65/387111865.db2.gz VBMAMVMEPWKRGH-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN Cc1cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)ccc1F ZINC000063056497 387239958 /nfs/dbraw/zinc/23/99/58/387239958.db2.gz WQSXCNPSGJUNKL-DGCLKSJQSA-N 0 0 246.285 2.556 10 30 BFEERN Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)ccc1F ZINC000063056498 387240400 /nfs/dbraw/zinc/24/04/00/387240400.db2.gz WQSXCNPSGJUNKL-YPMHNXCESA-N 0 0 246.285 2.556 10 30 BFEERN COc1cc(OC(F)F)cc(C)c1CC#N ZINC000575665148 387313589 /nfs/dbraw/zinc/31/35/89/387313589.db2.gz ONTKVOQNRYYUFQ-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN COc1cc(OC(F)F)c(CC#N)cc1C ZINC000575665787 387314047 /nfs/dbraw/zinc/31/40/47/387314047.db2.gz UHRFCOIOJRQAHD-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN Cc1c(CC#N)cc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000575675623 387356365 /nfs/dbraw/zinc/35/63/65/387356365.db2.gz WSFHGEAOPPYSJH-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN CSc1ccc([C@H]2C[C@H]2/C=N/O)cc1 ZINC000575602934 387367240 /nfs/dbraw/zinc/36/72/40/387367240.db2.gz WMAMDKRSDIIIMH-HYRKWEANSA-N 0 0 207.298 2.972 10 30 BFEERN N#C[C@@H]1CO[C@@H]2C[C@H](C(F)(F)F)CC[C@H]12 ZINC000575601968 387369009 /nfs/dbraw/zinc/36/90/09/387369009.db2.gz JKHDXWYOLGBYAJ-FNCVBFRFSA-N 0 0 219.206 2.504 10 30 BFEERN C[C@H]1CC[C@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496102 387324621 /nfs/dbraw/zinc/32/46/21/387324621.db2.gz IVPBBHACHIMUJM-CABZTGNLSA-N 0 0 224.304 2.593 10 30 BFEERN Cc1cc(CC#N)c([N+](=O)[O-])c(OC(F)F)c1 ZINC000575669024 387325225 /nfs/dbraw/zinc/32/52/25/387325225.db2.gz XHQUIQSLUHVBPV-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN Cc1cc(OC(F)F)c(CC#N)c([N+](=O)[O-])c1 ZINC000575668322 387325837 /nfs/dbraw/zinc/32/58/37/387325837.db2.gz VADXTFDDOCKJLV-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN CCOc1cc(OC(F)(F)F)cc(F)c1C#N ZINC000575670188 387329019 /nfs/dbraw/zinc/32/90/19/387329019.db2.gz GBFBDQWJVKLCSA-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN COc1cc(OC)c(C(F)(F)F)cc1C#N ZINC000575671497 387335118 /nfs/dbraw/zinc/33/51/18/387335118.db2.gz KWZMKIOCUOYJQZ-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN CCc1c(O)cc(C#N)cc1C(F)(F)F ZINC000575672936 387339847 /nfs/dbraw/zinc/33/98/47/387339847.db2.gz VCTUAIKZYXOFJD-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN Cc1cc([N+](=O)[O-])cc(CC#N)c1C(F)(F)F ZINC000575673354 387341597 /nfs/dbraw/zinc/34/15/97/387341597.db2.gz IBRKOCGVIIOLOT-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN N#CCc1ccc(Br)c(N)c1Cl ZINC000575715042 387429447 /nfs/dbraw/zinc/42/94/47/387429447.db2.gz YMUJAISIDCZFIM-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN N#CCc1ccc(Cl)c(Cl)c1N ZINC000575716065 387430845 /nfs/dbraw/zinc/43/08/45/387430845.db2.gz IBPGNPUPCMDSFS-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN N#CCc1cc(N)cc(Cl)c1Cl ZINC000575716256 387432367 /nfs/dbraw/zinc/43/23/67/387432367.db2.gz PFEIILXWDNMFMV-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN O=C(/C=C/Cl)c1ccncc1Br ZINC000575518070 387433591 /nfs/dbraw/zinc/43/35/91/387433591.db2.gz IACDBZLUXQAAII-HNQUOIGGSA-N 0 0 246.491 2.779 10 30 BFEERN Cc1cc(N)cc(C(F)(F)F)c1CC#N ZINC000575719972 387439646 /nfs/dbraw/zinc/43/96/46/387439646.db2.gz QLONLKGAVXAWHS-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN Cc1ccc(CC#N)c(N)c1C(F)(F)F ZINC000575720531 387443194 /nfs/dbraw/zinc/44/31/94/387443194.db2.gz YOQIZAOEJGTKSL-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN Cc1ccc(C(=O)c2ccc(CC#N)n2C)cc1 ZINC000038255088 387459887 /nfs/dbraw/zinc/45/98/87/387459887.db2.gz APSWAFZHMYVSMV-UHFFFAOYSA-N 0 0 238.290 2.631 10 30 BFEERN CCOc1cc(CC)cc(F)c1CC#N ZINC000575697345 387391095 /nfs/dbraw/zinc/39/10/95/387391095.db2.gz VOQGDBUROISIBM-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN CCOc1c(F)cc(CC)cc1CC#N ZINC000575697409 387391885 /nfs/dbraw/zinc/39/18/85/387391885.db2.gz XGVDDTIIDUERMG-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN CCOc1cc([N+](=O)[O-])cc(CC#N)c1CC ZINC000575696313 387397304 /nfs/dbraw/zinc/39/73/04/387397304.db2.gz LQZHQTZECFAKRK-UHFFFAOYSA-N 0 0 234.255 2.622 10 30 BFEERN COc1c(CC#N)ccc(F)c1OC(F)(F)F ZINC000575707432 387410534 /nfs/dbraw/zinc/41/05/34/387410534.db2.gz AOJZRHUCJXHZLL-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN N#CCc1cc(Cl)cc(Br)c1N ZINC000575714454 387410636 /nfs/dbraw/zinc/41/06/36/387410636.db2.gz ONBODWQVXLWJBS-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN N#CCc1ccc(Cl)c(N)c1Br ZINC000575714418 387410759 /nfs/dbraw/zinc/41/07/59/387410759.db2.gz NRIJOBHXGRKPTD-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN N#CCc1ccc(F)c([N+](=O)[O-])c1C(F)(F)F ZINC000575710456 387415091 /nfs/dbraw/zinc/41/50/91/387415091.db2.gz HYUMTIBPGUVEFM-UHFFFAOYSA-N 0 0 248.135 2.819 10 30 BFEERN CCc1cc(Br)cc(N)c1CC#N ZINC000575713662 387416296 /nfs/dbraw/zinc/41/62/96/387416296.db2.gz APZWWRIUGZQFLQ-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN COC(=O)c1cc(C#N)cc(Cl)c1C(F)F ZINC000575713405 387416750 /nfs/dbraw/zinc/41/67/50/387416750.db2.gz VMGZWYHLRWOGJP-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN N#CCc1cc(Cl)cc(OC(F)F)c1N ZINC000575714244 387418632 /nfs/dbraw/zinc/41/86/32/387418632.db2.gz GCORFKCKSOWKCZ-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN N#CCc1c(Br)ccc(N)c1Cl ZINC000575713772 387418921 /nfs/dbraw/zinc/41/89/21/387418921.db2.gz BPTJOWQTKZUCGE-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN CCOc1cc(N)c(C(F)(F)F)cc1CC#N ZINC000575717973 387422984 /nfs/dbraw/zinc/42/29/84/387422984.db2.gz NDSYVKUJZKQQIA-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN COc1cccc2c1C=C(CC=O)CC2 ZINC000584626122 387503843 /nfs/dbraw/zinc/50/38/43/387503843.db2.gz PZRCHJAUXNTXKD-UHFFFAOYSA-N 0 0 202.253 2.614 10 30 BFEERN Cc1cc(C)cc(C(=O)N(CCC#N)C2CC2)c1 ZINC000042359281 177892353 /nfs/dbraw/zinc/89/23/53/177892353.db2.gz QIGRUCHZDYZGAF-UHFFFAOYSA-N 0 0 242.322 2.822 10 30 BFEERN CCOc1cc(CC#N)cc(C#N)c1C(F)F ZINC000575640036 387837980 /nfs/dbraw/zinc/83/79/80/387837980.db2.gz FFDPHJWBCDOIOS-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN Cc1c(CC#N)cc(C#N)cc1OC(F)F ZINC000575640459 387839363 /nfs/dbraw/zinc/83/93/63/387839363.db2.gz IMAVLLXUSNFCJH-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CCc1cc(C#N)cc(OC(F)F)c1CC#N ZINC000575640479 387839574 /nfs/dbraw/zinc/83/95/74/387839574.db2.gz ORUDPFDUIAYEGL-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN CCc1cc(C#N)c(CC#N)c(OC(F)F)c1 ZINC000575641076 387840816 /nfs/dbraw/zinc/84/08/16/387840816.db2.gz UODGNHBFZVNVMV-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1ccccc1Cl ZINC000061888367 387847277 /nfs/dbraw/zinc/84/72/77/387847277.db2.gz YJFQKBFWTBNVTE-BXKDBHETSA-N 0 0 248.713 2.762 10 30 BFEERN CCOc1cc(CC#N)c(CC)cc1C#N ZINC000575643109 387865818 /nfs/dbraw/zinc/86/58/18/387865818.db2.gz MYKGCLFEWVYZOB-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN N#CCc1c(C#N)ccc(C(F)(F)F)c1F ZINC000575648284 387893044 /nfs/dbraw/zinc/89/30/44/387893044.db2.gz PMYLLGQGCNINNV-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN Cc1ccc(CC#N)c(OC(F)F)c1C ZINC000575653030 387894923 /nfs/dbraw/zinc/89/49/23/387894923.db2.gz REBCGTSBCOFUAX-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN CCc1ccc(F)c(OC(F)F)c1C#N ZINC000575653580 387895884 /nfs/dbraw/zinc/89/58/84/387895884.db2.gz KTNIYDBBBNWMRW-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1cc(OC(F)F)cc(C#N)c1F ZINC000575654084 387897968 /nfs/dbraw/zinc/89/79/68/387897968.db2.gz UYDGVPVGODOKFN-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN N#CCc1ccc(C(F)(F)F)c(F)c1C#N ZINC000575645096 387878045 /nfs/dbraw/zinc/87/80/45/387878045.db2.gz DSEGPJFYUHUREN-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN N#CCc1c(F)cc(C(F)(F)F)cc1C#N ZINC000575646519 387881604 /nfs/dbraw/zinc/88/16/04/387881604.db2.gz IOSPUSZXAMTWCY-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN Cc1cc(C(F)(F)F)cc(CC#N)c1C#N ZINC000575649336 387886307 /nfs/dbraw/zinc/88/63/07/387886307.db2.gz RDJKHVSINVYEBF-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN CCc1c(C#N)ccc([N+](=O)[O-])c1CC ZINC000575652041 387901574 /nfs/dbraw/zinc/90/15/74/387901574.db2.gz JKAWPTWFOMSAFP-UHFFFAOYSA-N 0 0 204.229 2.591 10 30 BFEERN CCc1cc(C#N)cc([N+](=O)[O-])c1CC ZINC000575652555 387902080 /nfs/dbraw/zinc/90/20/80/387902080.db2.gz UDBBAOCPPVMAAL-UHFFFAOYSA-N 0 0 204.229 2.591 10 30 BFEERN CCc1ccc([N+](=O)[O-])c(CC)c1C#N ZINC000575652752 387902345 /nfs/dbraw/zinc/90/23/45/387902345.db2.gz YJDROMFNBUICKG-UHFFFAOYSA-N 0 0 204.229 2.591 10 30 BFEERN N#Cc1nccc2c(F)cc(Cl)cc12 ZINC000521402257 256517353 /nfs/dbraw/zinc/51/73/53/256517353.db2.gz ZDKRYAFZHVDYSQ-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN C=C(Cl)CN[C@@H]1CCc2c1cccc2O ZINC000167738597 388256311 /nfs/dbraw/zinc/25/63/11/388256311.db2.gz LYEMCFGFXHIUKD-LLVKDONJSA-N 0 0 223.703 2.722 10 30 BFEERN CC(C)(C)OC(=O)n1ccc2c1ccnc2C#N ZINC000238855459 388258992 /nfs/dbraw/zinc/25/89/92/388258992.db2.gz RXJDTYOLHQVLTJ-UHFFFAOYSA-N 0 0 243.266 2.691 10 30 BFEERN N#Cc1ccc(OC(F)(F)C(F)F)cc1C#N ZINC000039947724 388410963 /nfs/dbraw/zinc/41/09/63/388410963.db2.gz KRMGEJSWSODNCM-UHFFFAOYSA-N 0 0 244.147 2.667 10 30 BFEERN C[C@@H](CC1CC1)NC(=O)C1(C#N)CCCCC1 ZINC000070104302 388433266 /nfs/dbraw/zinc/43/32/66/388433266.db2.gz YPQYDLBHSVUFEE-NSHDSACASA-N 0 0 234.343 2.765 10 30 BFEERN Clc1ncncc1C#Cc1ccccc1 ZINC000090495644 388613470 /nfs/dbraw/zinc/61/34/70/388613470.db2.gz WJCQPBKEZPVKGV-UHFFFAOYSA-N 0 0 214.655 2.530 10 30 BFEERN C[C@H]1CCC[C@H]1C(=O)NCc1ccc(C#N)cc1 ZINC000230055071 388631979 /nfs/dbraw/zinc/63/19/79/388631979.db2.gz BPCJZVGMHOQBMC-SMDDNHRTSA-N 0 0 242.322 2.611 10 30 BFEERN C[C@H]1CCC[C@H]1C(=O)Nc1cccc(C#N)c1 ZINC000230042429 388632493 /nfs/dbraw/zinc/63/24/93/388632493.db2.gz GODFIBCCHGLBEL-GXFFZTMASA-N 0 0 228.295 2.933 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1nccc(C)c1C#N ZINC000230080681 388633697 /nfs/dbraw/zinc/63/36/97/388633697.db2.gz ZMMPRHVMCMMLFY-CMPLNLGQSA-N 0 0 215.300 2.862 10 30 BFEERN N#Cc1cnccc1N1C[C@H]2CCCCC[C@H]21 ZINC000373449144 388710000 /nfs/dbraw/zinc/71/00/00/388710000.db2.gz POPJRZSZOPPEMS-DGCLKSJQSA-N 0 0 227.311 2.722 10 30 BFEERN Cc1nc([C@H](C)Nc2ccc(C#N)nc2)cs1 ZINC000426896719 388713725 /nfs/dbraw/zinc/71/37/25/388713725.db2.gz MVTDQFJHYNRMHI-QMMMGPOBSA-N 0 0 244.323 2.891 10 30 BFEERN N#Cc1ccc2c(ccn2Cc2ccccn2)c1 ZINC000020534352 388774589 /nfs/dbraw/zinc/77/45/89/388774589.db2.gz FAEJXQBDWDWJOI-UHFFFAOYSA-N 0 0 233.274 2.956 10 30 BFEERN CCSc1nncn1N=Cc1ccc(C)cc1 ZINC000254566525 388830105 /nfs/dbraw/zinc/83/01/05/388830105.db2.gz JJOLGIXVTKPUIF-UHFFFAOYSA-N 0 0 246.339 2.581 10 30 BFEERN CC=C=CC(=O)c1occc1Br ZINC000575508336 388993459 /nfs/dbraw/zinc/99/34/59/388993459.db2.gz PPQCILKZPYZOIO-UHFFFAOYSA-N 0 0 227.057 2.638 10 30 BFEERN N#Cc1ccnc(N2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000296530138 132221297 /nfs/dbraw/zinc/22/12/97/132221297.db2.gz NFSFSVYBCQPYAR-WCQYABFASA-N 0 0 242.326 2.507 10 30 BFEERN CCC[C@]1(C)CCCN(c2nccc(C#N)n2)C1 ZINC000297114251 132221467 /nfs/dbraw/zinc/22/14/67/132221467.db2.gz LZLAIMVAWYHYHD-CQSZACIVSA-N 0 0 244.342 2.755 10 30 BFEERN C=CCN1CCCc2cc(C(C)=O)ccc21 ZINC000031893480 132268027 /nfs/dbraw/zinc/26/80/27/132268027.db2.gz SWLQECWPEHJLTC-UHFFFAOYSA-N 0 0 215.296 2.828 10 30 BFEERN C[C@H](C#N)CN1CCCc2ccccc21 ZINC000031945915 132334781 /nfs/dbraw/zinc/33/47/81/132334781.db2.gz SZGSRJZHFKRBLB-LLVKDONJSA-N 0 0 200.285 2.599 10 30 BFEERN CN1CCCc2cc(C(=O)CCC#N)ccc21 ZINC000050286139 132358979 /nfs/dbraw/zinc/35/89/79/132358979.db2.gz IERHLAMRZCZNAO-UHFFFAOYSA-N 0 0 228.295 2.555 10 30 BFEERN N#Cc1cc(Cl)ccc1N1CCC[C@H](C=O)C1 ZINC000054268600 132364132 /nfs/dbraw/zinc/36/41/32/132364132.db2.gz YVUFKPSOZSFTDQ-JTQLQIEISA-N 0 0 248.713 2.627 10 30 BFEERN C[C@@H](C#N)CN1C[C@@H](C)Cc2ccccc21 ZINC000071130191 132392241 /nfs/dbraw/zinc/39/22/41/132392241.db2.gz GUURQPXMFRRSOX-RYUDHWBXSA-N 0 0 214.312 2.845 10 30 BFEERN Cc1cnc([C@H](C)NC(=O)[C@@H]2CCCCO2)o1 ZINC000329459490 133963230 /nfs/dbraw/zinc/96/32/30/133963230.db2.gz RQICPYWTVBJHLO-UWVGGRQHSA-N 0 0 238.287 2.570 10 30 BFEERN C=C1CCN(C(=O)[C@@H]2CCC[C@@H]2C)CC1 ZINC000335994142 134041695 /nfs/dbraw/zinc/04/16/95/134041695.db2.gz TUDDCMQLZLTDBF-NWDGAFQWSA-N 0 0 207.317 2.601 10 30 BFEERN C[C@@H](C#N)N1Cc2ccccc2OC(C)(C)C1 ZINC000336390295 134145915 /nfs/dbraw/zinc/14/59/15/134145915.db2.gz YIHBQSWUYFRKOY-NSHDSACASA-N 0 0 230.311 2.572 10 30 BFEERN CC#CCNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180563001 134329690 /nfs/dbraw/zinc/32/96/90/134329690.db2.gz PLGKAOKWEFAPLG-NEPJUHHUSA-N 0 0 221.344 2.588 10 30 BFEERN CC#CCNC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000180562986 134329760 /nfs/dbraw/zinc/32/97/60/134329760.db2.gz PLGKAOKWEFAPLG-VXGBXAGGSA-N 0 0 221.344 2.588 10 30 BFEERN C[C@H](CC#N)NC(=O)CC1CCC(C)CC1 ZINC000408172839 134432194 /nfs/dbraw/zinc/43/21/94/134432194.db2.gz BAKUJBUVSKDSDA-MOENNCHZSA-N 0 0 222.332 2.621 10 30 BFEERN C[C@H]1CCC[C@H]1C(=O)Nc1ccccc1C#N ZINC000230042369 134479248 /nfs/dbraw/zinc/47/92/48/134479248.db2.gz PWKUMRDOIWARRR-CMPLNLGQSA-N 0 0 228.295 2.933 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000230041890 134479314 /nfs/dbraw/zinc/47/93/14/134479314.db2.gz IMLQGOGVFFZZAB-MFKMUULPSA-N 0 0 228.295 2.933 10 30 BFEERN CC(C)Cc1ccc([C@H](C)NC(=O)CC#N)cc1 ZINC000119418005 134529802 /nfs/dbraw/zinc/52/98/02/134529802.db2.gz HGHBPDQZORZMOE-LBPRGKRZSA-N 0 0 244.338 2.976 10 30 BFEERN CCC1CCC(C(=O)N[C@H](C#N)C(C)C)CC1 ZINC000328321976 134602071 /nfs/dbraw/zinc/60/20/71/134602071.db2.gz FFSHOLMQTKYJIV-WXRRBKDZSA-N 0 0 236.359 2.867 10 30 BFEERN Cc1cc(F)cc(C(=O)N[C@@H]2CCC[C@H]2C#N)c1 ZINC000134856904 134724335 /nfs/dbraw/zinc/72/43/35/134724335.db2.gz TVWGZMUIGSVGPJ-GXFFZTMASA-N 0 0 246.285 2.556 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)c1ccc(Cl)cc1 ZINC000061888653 134802984 /nfs/dbraw/zinc/80/29/84/134802984.db2.gz PIZOLRYWOLYOHO-CMPLNLGQSA-N 0 0 248.713 2.762 10 30 BFEERN CC#CCCN1C[C@@H](C)O[C@@H](c2ccsc2)C1 ZINC000248392660 135002061 /nfs/dbraw/zinc/00/20/61/135002061.db2.gz KXUOUAKFZUAXGN-TZMCWYRMSA-N 0 0 249.379 2.923 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000342785751 135318537 /nfs/dbraw/zinc/31/85/37/135318537.db2.gz SLCFTQYGPDWZRB-JQWIXIFHSA-N 0 0 247.367 2.802 10 30 BFEERN Cc1cc(NCC(C)C)c(C#N)c(C)n1 ZINC000087969405 135514617 /nfs/dbraw/zinc/51/46/17/135514617.db2.gz HHXFLLUBVJZMLV-UHFFFAOYSA-N 0 0 203.289 2.638 10 30 BFEERN CCc1ccsc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000093655736 135603776 /nfs/dbraw/zinc/60/37/76/135603776.db2.gz VWTQUFVXEPJQOW-GHMZBOCLSA-N 0 0 248.351 2.733 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1nnc(C)c(C)c1C#N ZINC000231662101 135625784 /nfs/dbraw/zinc/62/57/84/135625784.db2.gz SNMRAWCWQWUYDK-JQWIXIFHSA-N 0 0 230.315 2.566 10 30 BFEERN N#Cc1nnc(-c2cccc(Cl)c2)s1 ZINC000259553433 397957030 /nfs/dbraw/zinc/95/70/30/397957030.db2.gz HOVVTPBDSQSZFH-UHFFFAOYSA-N 0 0 221.672 2.730 10 30 BFEERN N#CC1([C@@H](O)c2cc(Cl)cs2)CC1 ZINC000307264456 398047934 /nfs/dbraw/zinc/04/79/34/398047934.db2.gz BOFJUWVOUPCDHH-QMMMGPOBSA-N 0 0 213.689 2.739 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)N(C)c1ccccc1C#N ZINC000230059751 398041627 /nfs/dbraw/zinc/04/16/27/398041627.db2.gz YZJBLMWQUDEAQG-YPMHNXCESA-N 0 0 242.322 2.957 10 30 BFEERN CCOC(=O)c1c(C#N)cccc1C(F)(F)F ZINC000260110676 398043208 /nfs/dbraw/zinc/04/32/08/398043208.db2.gz HZFLZAJTVIOUDX-UHFFFAOYSA-N 0 0 243.184 2.754 10 30 BFEERN CCc1cc(OC)c(CC#N)cc1OC(F)F ZINC000575656107 398052374 /nfs/dbraw/zinc/05/23/74/398052374.db2.gz FQRSIIDXUSEDGX-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000061891063 398107729 /nfs/dbraw/zinc/10/77/29/398107729.db2.gz LGXWSWSQIFGJEK-UKRRQHHQSA-N 0 0 244.338 2.867 10 30 BFEERN CCc1ccc(CN[C@@H]2CCC[C@@H]2C#N)o1 ZINC000061892558 398107882 /nfs/dbraw/zinc/10/78/82/398107882.db2.gz NBLWZYVCPJJTSB-ZWNOBZJWSA-N 0 0 218.300 2.624 10 30 BFEERN Cc1cc(CN[C@@H]2CCC[C@@H]2C#N)ccc1F ZINC000061892570 398108208 /nfs/dbraw/zinc/10/82/08/398108208.db2.gz RWISAHXAESKNAM-TZMCWYRMSA-N 0 0 232.302 2.916 10 30 BFEERN COC(=O)Cc1c(C)ccc(C#N)c1C(F)F ZINC000575343761 398127702 /nfs/dbraw/zinc/12/77/02/398127702.db2.gz GZJPEEOJDBHVMH-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN C#CC(O)(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000039953763 166113699 /nfs/dbraw/zinc/11/36/99/166113699.db2.gz YNCDJMPHQPGFDQ-UHFFFAOYSA-N 0 0 244.240 2.834 10 30 BFEERN C#CCCOc1ccc(C=O)cc1C(F)(F)F ZINC000104361350 166150376 /nfs/dbraw/zinc/15/03/76/166150376.db2.gz PGTFHYAAINIJPA-UHFFFAOYSA-N 0 0 242.196 2.920 10 30 BFEERN C#CCCC(=O)C1(c2ccccc2)CCOCC1 ZINC000104348212 166117794 /nfs/dbraw/zinc/11/77/94/166117794.db2.gz PUTLKBWOUJLQKW-UHFFFAOYSA-N 0 0 242.318 2.717 10 30 BFEERN C#CCCC(=O)Nc1ccc(Cl)cc1 ZINC000075421213 166118258 /nfs/dbraw/zinc/11/82/58/166118258.db2.gz CBWLTCIOGWVTFU-UHFFFAOYSA-N 0 0 207.660 2.692 10 30 BFEERN C#CCCN1CCCC[C@@H]1c1nccs1 ZINC000270649917 166136706 /nfs/dbraw/zinc/13/67/06/166136706.db2.gz TUQSPTZAILVLCX-LLVKDONJSA-N 0 0 220.341 2.693 10 30 BFEERN C#CCn1cnc(-c2c(F)cccc2Cl)c1N ZINC000103500077 166207565 /nfs/dbraw/zinc/20/75/65/166207565.db2.gz RBJPXRGDNIXTFK-UHFFFAOYSA-N 0 0 249.676 2.558 10 30 BFEERN C#CCn1cnc(-c2c(C)cc(C)cc2C)c1N ZINC000103500386 166207752 /nfs/dbraw/zinc/20/77/52/166207752.db2.gz NELMJMSSFZNDJL-UHFFFAOYSA-N 0 0 239.322 2.691 10 30 BFEERN C(=NN=c1[nH]c2ccccc2o1)c1cccnc1 ZINC000005777955 166230407 /nfs/dbraw/zinc/23/04/07/166230407.db2.gz PIQDJLOOVWJWFX-OQLLNIDSSA-N 0 0 238.250 2.669 10 30 BFEERN C=CCNC(=O)/C(C)=C(\C)c1ccccc1 ZINC000001567586 166361957 /nfs/dbraw/zinc/36/19/57/166361957.db2.gz GCLBGKOMNXDAFZ-VAWYXSNFSA-N 0 0 215.296 2.782 10 30 BFEERN C=CCNC(=O)c1ccc(N[C@H](C)C2CC2)cc1 ZINC000037783495 166393597 /nfs/dbraw/zinc/39/35/97/166393597.db2.gz UNENBXFRRRTJKV-LLVKDONJSA-N 0 0 244.338 2.813 10 30 BFEERN C=CCNc1c(C#N)cnc2ccccc21 ZINC000036913264 166407612 /nfs/dbraw/zinc/40/76/12/166407612.db2.gz GHZNPTFGMHOXKL-UHFFFAOYSA-N 0 0 209.252 2.704 10 30 BFEERN CC(C)(C#N)NC(=O)c1c(F)cccc1Cl ZINC000040349650 166500654 /nfs/dbraw/zinc/50/06/54/166500654.db2.gz KECDMQRXQLXDDD-UHFFFAOYSA-N 0 0 240.665 2.511 10 30 BFEERN CC(C)CCCOc1ncccc1C#N ZINC000020514149 166818229 /nfs/dbraw/zinc/81/82/29/166818229.db2.gz XAZYJQKPGYDTIF-UHFFFAOYSA-N 0 0 204.273 2.768 10 30 BFEERN CC(C)CCC[C@@H](C)CCOS(C)(=O)=O ZINC000222916396 166820469 /nfs/dbraw/zinc/82/04/69/166820469.db2.gz SOXDUDWOJKDOQC-LLVKDONJSA-N 0 0 236.377 2.815 10 30 BFEERN CC(C)CN[C@@](C)(C#N)c1ccc(N(C)C)cc1 ZINC000037939062 167012463 /nfs/dbraw/zinc/01/24/63/167012463.db2.gz RWRJAUPJPYJHOM-HNNXBMFYSA-N 0 0 245.370 2.737 10 30 BFEERN CC(C)N[C@@H](C#N)c1cc(F)c(F)c(F)c1 ZINC000062711926 167130409 /nfs/dbraw/zinc/13/04/09/167130409.db2.gz HMKGJLKGEPELKW-JTQLQIEISA-N 0 0 228.217 2.667 10 30 BFEERN CC(C)N[C@H](C#N)c1cccc(Cl)c1 ZINC000020173878 167136050 /nfs/dbraw/zinc/13/60/50/167136050.db2.gz ZKJHRJAIRBEJCR-LLVKDONJSA-N 0 0 208.692 2.903 10 30 BFEERN CC(C)N[C@H](C#N)c1cc(F)c(F)c(F)c1 ZINC000062711928 167136956 /nfs/dbraw/zinc/13/69/56/167136956.db2.gz HMKGJLKGEPELKW-SNVBAGLBSA-N 0 0 228.217 2.667 10 30 BFEERN CC(C)Oc1cc(OC2CC2)ccc1C#N ZINC000095721845 167288358 /nfs/dbraw/zinc/28/83/58/167288358.db2.gz AZUXYCXTDXDZBB-UHFFFAOYSA-N 0 0 217.268 2.887 10 30 BFEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CCCC(CC)(CC)C1 ZINC000656764227 411348109 /nfs/dbraw/zinc/34/81/09/411348109.db2.gz WNMKWRJKVXQJDT-NSHDSACASA-N 0 0 225.332 2.528 10 30 BFEERN CC1CCC(C#N)(N2CCCCC2)CC1 ZINC000019935193 168149298 /nfs/dbraw/zinc/14/92/98/168149298.db2.gz MZBFZKXPCZJMFQ-UHFFFAOYSA-N 0 0 206.333 2.945 10 30 BFEERN CC1CCC(CNc2n[nH]cc2C#N)CC1 ZINC000309733384 168155982 /nfs/dbraw/zinc/15/59/82/168155982.db2.gz BQYVEHJUFOEMNZ-UHFFFAOYSA-N 0 0 218.304 2.520 10 30 BFEERN CCC(=O)O[C@H](C#N)c1ccccc1C ZINC000106881096 168250210 /nfs/dbraw/zinc/25/02/10/168250210.db2.gz LFKQNXTZVKNUIY-LLVKDONJSA-N 0 0 203.241 2.513 10 30 BFEERN CCC(C)(C)Nc1ccc(C#N)cc1N ZINC000035674450 168302571 /nfs/dbraw/zinc/30/25/71/168302571.db2.gz NISGHKGBFGJCNV-UHFFFAOYSA-N 0 0 203.289 2.741 10 30 BFEERN CCC(C)(C)c1ccc(OCC[C@H](N)C#N)cc1 ZINC000062446254 168305549 /nfs/dbraw/zinc/30/55/49/168305549.db2.gz FLKGIRWJQFIGKY-ZDUSSCGKSA-N 0 0 246.354 2.994 10 30 BFEERN CCN[C@H](C#N)CCOc1c(C)cccc1C ZINC000062445134 170155713 /nfs/dbraw/zinc/15/57/13/170155713.db2.gz JIISBFFPKKFCSP-ZDUSSCGKSA-N 0 0 232.327 2.574 10 30 BFEERN CCN[C@](C#N)(COC1CCC1)c1ccccc1 ZINC000050521442 170169658 /nfs/dbraw/zinc/16/96/58/170169658.db2.gz DPFOLWFLGMPQJA-OAHLLOKOSA-N 0 0 244.338 2.584 10 30 BFEERN CCNc1cc(CN(CCC#N)C(C)C)ccn1 ZINC000052729782 170171965 /nfs/dbraw/zinc/17/19/65/170171965.db2.gz FEKNTWUXTCIRPH-UHFFFAOYSA-N 0 0 246.358 2.637 10 30 BFEERN CCOC(=O)C=C(C)NCc1ccccc1 ZINC000100218349 170188730 /nfs/dbraw/zinc/18/87/30/170188730.db2.gz MAINUTYGYVAGIJ-SDNWHVSQSA-N 0 0 219.284 2.601 10 30 BFEERN CCOC(=O)[C@@]1(CC)C=CC=C[C@H]1CC#N ZINC000095931695 170262290 /nfs/dbraw/zinc/26/22/90/170262290.db2.gz WNIZCQRACMWFFH-AAEUAGOBSA-N 0 0 219.284 2.602 10 30 BFEERN CCOC(=O)[C@](C)(C#N)Cc1cc(C)ccc1C ZINC000057535098 170282826 /nfs/dbraw/zinc/28/28/26/170282826.db2.gz SBEDEXSIGVLRAP-HNNXBMFYSA-N 0 0 245.322 2.939 10 30 BFEERN CCOC(=O)c1ccc(C[C@@H](C=O)CC)cc1 ZINC000039117817 170295148 /nfs/dbraw/zinc/29/51/48/170295148.db2.gz IMPTZNPZCVOIPX-NSHDSACASA-N 0 0 234.295 2.631 10 30 BFEERN CCOC(=O)c1ccc(C#N)cc1C(F)(F)F ZINC000299890003 170295772 /nfs/dbraw/zinc/29/57/72/170295772.db2.gz SEHWNQGNWLOASJ-UHFFFAOYSA-N 0 0 243.184 2.754 10 30 BFEERN CCOCCC(=O)[C@@H](C#N)c1ccc(C)c(C)c1 ZINC000061682018 170363778 /nfs/dbraw/zinc/36/37/78/170363778.db2.gz KWHDAXIVPXJTMJ-AWEZNQCLSA-N 0 0 245.322 2.906 10 30 BFEERN C=C(C)CCNc1nccnc1CCC ZINC000663965628 411794439 /nfs/dbraw/zinc/79/44/39/411794439.db2.gz IOKZQIOTONRSAH-UHFFFAOYSA-N 0 0 205.305 2.807 10 30 BFEERN C=C(CC)CNc1nccnc1CCC ZINC000663984859 411802264 /nfs/dbraw/zinc/80/22/64/411802264.db2.gz CAHJFPGKRHYFSV-UHFFFAOYSA-N 0 0 205.305 2.807 10 30 BFEERN CC[C@@H](C)N(CCOC)c1ccc(C#N)cc1 ZINC000042591871 170730561 /nfs/dbraw/zinc/73/05/61/170730561.db2.gz JLBMDDBOHHRZFQ-GFCCVEGCSA-N 0 0 232.327 2.810 10 30 BFEERN CC[C@@H](C)N[C@H](C#N)c1cc(OC)cc(OC)c1 ZINC000038064420 170757020 /nfs/dbraw/zinc/75/70/20/170757020.db2.gz XUBPAPNKKYCWDD-QMTHXVAHSA-N 0 0 248.326 2.657 10 30 BFEERN C=CCOCCCNc1nccnc1C(C)C ZINC000664388483 411938006 /nfs/dbraw/zinc/93/80/06/411938006.db2.gz PAHYEWRJNAUNOX-UHFFFAOYSA-N 0 0 235.331 2.605 10 30 BFEERN CC[C@@H]1CC[C@H](C#N)[C@H](N(CC)CCC#N)C1 ZINC000042450545 171046535 /nfs/dbraw/zinc/04/65/35/171046535.db2.gz YOWBQFYMWWEPQJ-MGPQQGTHSA-N 0 0 233.359 2.940 10 30 BFEERN CC[C@@](C#N)(C(=O)OC)C1=CCCCCC1 ZINC000038636632 171162783 /nfs/dbraw/zinc/16/27/83/171162783.db2.gz VYFVOYXLQYHQFL-ZDUSSCGKSA-N 0 0 221.300 2.970 10 30 BFEERN CC[C@@](C)(C#N)NC(=O)C[C@@H](C)C(C)(C)C ZINC000104442252 171163486 /nfs/dbraw/zinc/16/34/86/171163486.db2.gz RYKVORHVVRGLJD-MFKMUULPSA-N 0 0 224.348 2.867 10 30 BFEERN CC[C@]1(C)Cc2ccccc2/C(=N\N)C1 ZINC000039100794 171198118 /nfs/dbraw/zinc/19/81/18/171198118.db2.gz ZPKHCUFCDQZDJG-DKXRRRNBSA-N 0 0 202.301 2.712 10 30 BFEERN CC[C@H](C#N)Oc1cccc([N+](=O)[O-])c1C ZINC000043557406 171219273 /nfs/dbraw/zinc/21/92/73/171219273.db2.gz BUPURNFWCAOVDO-SECBINFHSA-N 0 0 220.228 2.584 10 30 BFEERN CC[C@H](C#N)Oc1ccc(N)c(Cl)c1 ZINC000050471243 171219374 /nfs/dbraw/zinc/21/93/74/171219374.db2.gz ALYQHLIGPCNNFI-SSDOTTSWSA-N 0 0 210.664 2.603 10 30 BFEERN CC[C@H](C#N)Oc1ccccc1/C(C)=N/O ZINC000043542911 171219409 /nfs/dbraw/zinc/21/94/09/171219409.db2.gz VHFRAPJNSSJCLZ-GMROUXNLSA-N 0 0 218.256 2.566 10 30 BFEERN CC[C@H](C#N)Oc1ccc(Cl)cc1N ZINC000043538511 171219758 /nfs/dbraw/zinc/21/97/58/171219758.db2.gz WLCZYIHDAHKOOC-MRVPVSSYSA-N 0 0 210.664 2.603 10 30 BFEERN CC[C@H](C#N)Sc1ccccc1[N+](=O)[O-] ZINC000043557651 171220467 /nfs/dbraw/zinc/22/04/67/171220467.db2.gz WSIRVMQVCCKXKC-MRVPVSSYSA-N 0 0 222.269 2.989 10 30 BFEERN CC[C@H](C)C[C@@H](C=O)NC(=O)OC(C)(C)C ZINC000095757639 171295603 /nfs/dbraw/zinc/29/56/03/171295603.db2.gz IABYPLPSKVCPGX-UWVGGRQHSA-N 0 0 229.320 2.515 10 30 BFEERN CC[C@H](C)N(C)C(=O)[C@H](C#N)c1ccccc1 ZINC000061614395 171304045 /nfs/dbraw/zinc/30/40/45/171304045.db2.gz ABJQFLIJEYFXAW-WCQYABFASA-N 0 0 230.311 2.551 10 30 BFEERN CC[C@H](C)N(CC)c1ncccc1C#N ZINC000037113428 171311597 /nfs/dbraw/zinc/31/15/97/171311597.db2.gz KCLNPBIEPIROME-JTQLQIEISA-N 0 0 203.289 2.578 10 30 BFEERN CC[C@H](C)N(CCOC)c1ccc(C#N)cc1 ZINC000042591874 171314756 /nfs/dbraw/zinc/31/47/56/171314756.db2.gz JLBMDDBOHHRZFQ-LBPRGKRZSA-N 0 0 232.327 2.810 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1cccc(OC)c1OC ZINC000038064725 171345046 /nfs/dbraw/zinc/34/50/46/171345046.db2.gz KPQXLSNDKBZPJD-JQWIXIFHSA-N 0 0 248.326 2.657 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1ccc2c(c1)CCN2C ZINC000050287687 171345231 /nfs/dbraw/zinc/34/52/31/171345231.db2.gz IKBVXJRLAUZUJU-FZMZJTMJSA-N 0 0 243.354 2.632 10 30 BFEERN CC[C@H](C)OC1=C(C)C(=O)[C@@H](C)S1 ZINC000100243224 171351701 /nfs/dbraw/zinc/35/17/01/171351701.db2.gz ZVYVWWFUWFWQQV-POYBYMJQSA-N 0 0 200.303 2.737 10 30 BFEERN CC[C@H](C)[C@@H](C)Nc1ccc(C#N)cc1N ZINC000042552607 171367660 /nfs/dbraw/zinc/36/76/60/171367660.db2.gz YKPQYZAAYHYBLF-VHSXEESVSA-N 0 0 217.316 2.987 10 30 BFEERN CC[C@H]1CCCC[C@@H]1Nc1nccnc1C#N ZINC000054377903 171610461 /nfs/dbraw/zinc/61/04/61/171610461.db2.gz BHJNAUXSYXQUGJ-QWRGUYRKSA-N 0 0 230.315 2.729 10 30 BFEERN CCn1nc(C#N)cc1-c1cccs1 ZINC000076845922 172240877 /nfs/dbraw/zinc/24/08/77/172240877.db2.gz MRTUQNAXGSPRQZ-UHFFFAOYSA-N 0 0 203.270 2.503 10 30 BFEERN CN(C)/C=C/C(=O)/C=C\C=C/c1ccccc1 ZINC000033374100 172349607 /nfs/dbraw/zinc/34/96/07/172349607.db2.gz UBLXAPPOEZMQTH-CKQFSBRNSA-N 0 0 227.307 2.900 10 30 BFEERN CN[C@H](C#N)CCOc1cccc(C(C)C)c1 ZINC000019666974 173441806 /nfs/dbraw/zinc/44/18/06/173441806.db2.gz IMOCQRSZUGQBNW-ZDUSSCGKSA-N 0 0 232.327 2.690 10 30 BFEERN COc1c(C#N)cnc2c(C)cc(C)cc21 ZINC000072236955 174918513 /nfs/dbraw/zinc/91/85/13/174918513.db2.gz OFDZHUIXTUEALM-UHFFFAOYSA-N 0 0 212.252 2.732 10 30 BFEERN COc1cc(CS)ccc1OC(F)F ZINC000019414292 174987020 /nfs/dbraw/zinc/98/70/20/174987020.db2.gz CSKRSHFDHMHIKX-UHFFFAOYSA-N 0 0 220.240 2.726 10 30 BFEERN COc1cc(N[C@H](C)C#N)c(OC)cc1Cl ZINC000047826402 175004402 /nfs/dbraw/zinc/00/44/02/175004402.db2.gz DHRMXNKUDWJJEC-SSDOTTSWSA-N 0 0 240.690 2.681 10 30 BFEERN COc1cc(OC)cc([C@@H](C#N)NCC(C)C)c1 ZINC000037939259 175010918 /nfs/dbraw/zinc/01/09/18/175010918.db2.gz XFBLDTSNDPPUGJ-CQSZACIVSA-N 0 0 248.326 2.514 10 30 BFEERN COc1ccc(/C=N/NC2=NCCCCC2)cc1 ZINC000003213923 175048833 /nfs/dbraw/zinc/04/88/33/175048833.db2.gz WDADAMAONNDWKR-LFIBNONCSA-N 0 0 245.326 2.591 10 30 BFEERN COc1ccc(C(C)(C)C=O)cc1Cl ZINC000041226480 175067352 /nfs/dbraw/zinc/06/73/52/175067352.db2.gz MYQGSAGXPHRQFG-UHFFFAOYSA-N 0 0 212.676 2.825 10 30 BFEERN COc1ccc(C)cc1NC[C@H](C)C#N ZINC000032010318 175078712 /nfs/dbraw/zinc/07/87/12/175078712.db2.gz IWAFQUNGMBCMNW-SNVBAGLBSA-N 0 0 204.273 2.575 10 30 BFEERN COc1ccc(CN[C@@H]2CCC[C@@H]2C#N)cc1F ZINC000061890934 175109919 /nfs/dbraw/zinc/10/99/19/175109919.db2.gz QDDOGXAOUHWAOS-DGCLKSJQSA-N 0 0 248.301 2.616 10 30 BFEERN COc1ccc(NCCCC#N)c(C)c1 ZINC000039105341 175150651 /nfs/dbraw/zinc/15/06/51/175150651.db2.gz CWTJEPCWJTZCIP-UHFFFAOYSA-N 0 0 204.273 2.719 10 30 BFEERN COc1ccc(NC[C@@H](C)C#N)c(C)c1 ZINC000061567587 175151808 /nfs/dbraw/zinc/15/18/08/175151808.db2.gz BWCIYCOGYFHWJH-VIFPVBQESA-N 0 0 204.273 2.575 10 30 BFEERN COc1ccc(N[C@@H]2CCC[C@@H]2C#N)cc1 ZINC000054824353 175154293 /nfs/dbraw/zinc/15/42/93/175154293.db2.gz OQCISOBEAHGDNO-ZWNOBZJWSA-N 0 0 216.284 2.799 10 30 BFEERN COc1ccc(OCC=O)c(C(C)(C)C)c1 ZINC000011584337 175171666 /nfs/dbraw/zinc/17/16/66/175171666.db2.gz UMVXVTIPCMPIKW-UHFFFAOYSA-N 0 0 222.284 2.570 10 30 BFEERN COc1ccc(Oc2ccc(C#N)nc2)cc1 ZINC000129285316 175174041 /nfs/dbraw/zinc/17/40/41/175174041.db2.gz BOMDOHJJXRMXNK-UHFFFAOYSA-N 0 0 226.235 2.754 10 30 BFEERN COc1ccc([C@H](C)NC[C@H](C)C#N)c(OC)c1 ZINC000054179358 175188384 /nfs/dbraw/zinc/18/83/84/175188384.db2.gz UQMQBVURFNZAJO-MNOVXSKESA-N 0 0 248.326 2.514 10 30 BFEERN COc1ccc2[nH]c(Cl)c(C#N)c2c1 ZINC000071465478 175202362 /nfs/dbraw/zinc/20/23/62/175202362.db2.gz OPHQNWSEPKSDES-UHFFFAOYSA-N 0 0 206.632 2.702 10 30 BFEERN COc1ccc2[nH]cc(CCC#N)c2c1 ZINC000006174617 175203220 /nfs/dbraw/zinc/20/32/20/175203220.db2.gz CZUSHSVLSVISPO-UHFFFAOYSA-N 0 0 200.241 2.633 10 30 BFEERN COc1cccc(-c2cc(N)c(C#N)s2)c1 ZINC000044273420 175233319 /nfs/dbraw/zinc/23/33/19/175233319.db2.gz BUXFBFQGODZOSI-UHFFFAOYSA-N 0 0 230.292 2.878 10 30 BFEERN COc1cccc(N[C@@]2(C#N)CCSC2)c1 ZINC000037937694 175279938 /nfs/dbraw/zinc/27/99/38/175279938.db2.gz BPELEJPHMABTBW-GFCCVEGCSA-N 0 0 234.324 2.506 10 30 BFEERN COc1cccc([C@@H](C#N)C(=O)C(C)C)c1 ZINC000040907834 175285975 /nfs/dbraw/zinc/28/59/75/175285975.db2.gz SKAYUIUERZRSMH-GFCCVEGCSA-N 0 0 217.268 2.527 10 30 BFEERN COc1cccc([C@@H](C#N)NCCC(C)C)c1 ZINC000020173409 175286005 /nfs/dbraw/zinc/28/60/05/175286005.db2.gz WGVPOKCHNUDWMM-CQSZACIVSA-N 0 0 232.327 2.896 10 30 BFEERN COc1cccc2c(OC[C@@H]3CO3)cccc12 ZINC000065743256 175300457 /nfs/dbraw/zinc/30/04/57/175300457.db2.gz MLFOCCNTZVTFBH-JTQLQIEISA-N 0 0 230.263 2.626 10 30 in-vitro BFEERN COc1ccccc1C[C@](C)(C#N)NC(C)C ZINC000037734976 175333439 /nfs/dbraw/zinc/33/34/39/175333439.db2.gz KGXGGJMBIZIMST-CQSZACIVSA-N 0 0 232.327 2.518 10 30 BFEERN COc1ccccc1N[C@@H]1CCC[C@H]1C#N ZINC000054823065 175338698 /nfs/dbraw/zinc/33/86/98/175338698.db2.gz XQIBIWKWLBHDNF-WDEREUQCSA-N 0 0 216.284 2.799 10 30 BFEERN COc1ccccc1N[C@@H]1CCC[C@@H]1C#N ZINC000054823063 175339221 /nfs/dbraw/zinc/33/92/21/175339221.db2.gz XQIBIWKWLBHDNF-GHMZBOCLSA-N 0 0 216.284 2.799 10 30 BFEERN COc1ccccc1N[C@](C)(C#N)C1CC1 ZINC000037938701 175340235 /nfs/dbraw/zinc/34/02/35/175340235.db2.gz CXKKRRRWWIAGCC-CYBMUJFWSA-N 0 0 216.284 2.799 10 30 BFEERN COc1ccccc1Oc1ncccc1C#N ZINC000019511166 175342780 /nfs/dbraw/zinc/34/27/80/175342780.db2.gz LIOJWCKOJVTCEI-UHFFFAOYSA-N 0 0 226.235 2.754 10 30 BFEERN COc1ccccc1C(C#N)C(F)(F)F ZINC000033606989 175350009 /nfs/dbraw/zinc/35/00/09/175350009.db2.gz SWVVGQSOWXDMQT-QMMMGPOBSA-N 0 0 215.174 2.865 10 30 BFEERN CSc1nc2ccc(C#N)cc2s1 ZINC000045236063 175590213 /nfs/dbraw/zinc/59/02/13/175590213.db2.gz JCVHNSLJWKYZGG-UHFFFAOYSA-N 0 0 206.295 2.890 10 30 BFEERN C[C@@H](CCC#N)Oc1ccc2c(c1)CCC(=O)N2 ZINC000082308848 175659089 /nfs/dbraw/zinc/65/90/89/175659089.db2.gz DPRNQKIADLWWFE-JTQLQIEISA-N 0 0 244.294 2.642 10 30 BFEERN C[C@@H](S)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095089580 176007149 /nfs/dbraw/zinc/00/71/49/176007149.db2.gz YBGIFYRKKYZAQH-ZJUUUORDSA-N 0 0 245.388 2.952 10 30 BFEERN C[C@@H](S)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000095089578 176007618 /nfs/dbraw/zinc/00/76/18/176007618.db2.gz YBGIFYRKKYZAQH-NXEZZACHSA-N 0 0 245.388 2.952 10 30 BFEERN C[C@@H](c1ncccc1C#N)C(F)(F)F ZINC000075839845 176039246 /nfs/dbraw/zinc/03/92/46/176039246.db2.gz IFJZTYWVIZJTMY-LURJTMIESA-N 0 0 200.163 2.619 10 30 BFEERN C[C@@H]1CCCC[C@@]1(C#N)NCC(F)(F)F ZINC000037970897 176083231 /nfs/dbraw/zinc/08/32/31/176083231.db2.gz PKLAIZADPJIGDT-BDAKNGLRSA-N 0 0 220.238 2.611 10 30 BFEERN C[C@@H]1CC[C@@H](C#N)[C@H](Sc2ccncn2)C1 ZINC000104363816 176194696 /nfs/dbraw/zinc/19/46/96/176194696.db2.gz SWADCYIYWMJOLY-OUAUKWLOSA-N 0 0 233.340 2.897 10 30 BFEERN C[C@@H]1[C@H](C#N)CCCN1C(=O)OC(C)(C)C ZINC000197212511 176499186 /nfs/dbraw/zinc/49/91/86/176499186.db2.gz HWOZEZOUTHQHSW-ZJUUUORDSA-N 0 0 224.304 2.546 10 30 BFEERN C[C@H](CC#N)N(CCC#N)c1ccccc1 ZINC000048246610 176596491 /nfs/dbraw/zinc/59/64/91/176596491.db2.gz XBSLNYDVKYCNMF-GFCCVEGCSA-N 0 0 213.284 2.709 10 30 BFEERN C[C@H](CC#N)N(C)c1nc2ccc(N)cc2s1 ZINC000063104759 176596789 /nfs/dbraw/zinc/59/67/89/176596789.db2.gz BHKHXJQVCYTYHS-MRVPVSSYSA-N 0 0 246.339 2.617 10 30 BFEERN C[C@H](CC#N)[C@H](O)c1ccc(Cl)cc1 ZINC000049814671 176597784 /nfs/dbraw/zinc/59/77/84/176597784.db2.gz DAUJQCJNTCWDTF-KCJUWKMLSA-N 0 0 209.676 2.923 10 30 BFEERN C[C@H](Nc1nccnc1C#N)c1ccc(F)cc1 ZINC000054378009 176939901 /nfs/dbraw/zinc/93/99/01/176939901.db2.gz ICLDSPSJYYPQTE-VIFPVBQESA-N 0 0 242.257 2.660 10 30 BFEERN C[C@H](CC#N)N(C)c1cccc(F)c1[C@H](C)O ZINC000103921487 177015802 /nfs/dbraw/zinc/01/58/02/177015802.db2.gz LZCZVPURRMLPBC-ZJUUUORDSA-N 0 0 236.290 2.617 10 30 BFEERN C[C@H](O)c1c(F)cccc1N(C)[C@@H](C)CC#N ZINC000103921483 177016334 /nfs/dbraw/zinc/01/63/34/177016334.db2.gz LZCZVPURRMLPBC-UWVGGRQHSA-N 0 0 236.290 2.617 10 30 BFEERN C[C@H](O)c1ccc(-c2ccc(C#N)n2C)cc1 ZINC000062224473 177016614 /nfs/dbraw/zinc/01/66/14/177016614.db2.gz RPEVCZKZUHHEQQ-JTQLQIEISA-N 0 0 226.279 2.617 10 30 BFEERN C[C@H]1CCCC[C@H]1CNc1ncc(N)cc1C#N ZINC000042860141 177086415 /nfs/dbraw/zinc/08/64/15/177086415.db2.gz BIRPUPIGONLHCV-QWRGUYRKSA-N 0 0 244.342 2.774 10 30 BFEERN C[C@H]1CCC[C@H](C)N1C(=O)C1(C#N)CCCC1 ZINC000044765144 177129955 /nfs/dbraw/zinc/12/99/55/177129955.db2.gz DTKFEWJQEJEEPU-RYUDHWBXSA-N 0 0 234.343 2.860 10 30 BFEERN C[C@H]1CCN(C(=O)C2(C#N)CCCC2)[C@@H](C)C1 ZINC000051733758 177145020 /nfs/dbraw/zinc/14/50/20/177145020.db2.gz OCFYDDDTLUFUCB-RYUDHWBXSA-N 0 0 234.343 2.717 10 30 BFEERN C[C@H]1C[C@@H](OCCC/C(N)=N/O)CC(C)(C)C1 ZINC000034958310 177338688 /nfs/dbraw/zinc/33/86/88/177338688.db2.gz FPWKIPWNGMNUPK-WDEREUQCSA-N 0 0 242.363 2.744 10 30 BFEERN C[C@H]1C[C@@H]1NC(=O)Nc1cnc2c(c1)CCCC2 ZINC000329465198 177349805 /nfs/dbraw/zinc/34/98/05/177349805.db2.gz RGUWGCNYIQSUNV-ZANVPECISA-N 0 0 245.326 2.504 10 30 BFEERN C[C@@H]1CCN(C(=O)C2(C#N)CCCC2)[C@@H](C)C1 ZINC000051733756 177355026 /nfs/dbraw/zinc/35/50/26/177355026.db2.gz OCFYDDDTLUFUCB-NEPJUHHUSA-N 0 0 234.343 2.717 10 30 BFEERN C[C@@H]1C[C@@H](CNc2cc(C#N)ccn2)C[C@H](C)O1 ZINC000287658816 177363603 /nfs/dbraw/zinc/36/36/03/177363603.db2.gz ILNYYHNSFRYHHF-PTEHBNRSSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@H]1C[C@H](OCCC/C(N)=N/O)CC(C)(C)C1 ZINC000034958308 177374588 /nfs/dbraw/zinc/37/45/88/177374588.db2.gz FPWKIPWNGMNUPK-QWRGUYRKSA-N 0 0 242.363 2.744 10 30 BFEERN C[C@H]1C[C@H]1C(=O)NC1(C#N)CCCCCCC1 ZINC000040222094 177376342 /nfs/dbraw/zinc/37/63/42/177376342.db2.gz CHCDHPOKNUDAMG-NWDGAFQWSA-N 0 0 234.343 2.765 10 30 BFEERN Cc1cc([C@@H](C)Nc2cnc(C#N)cn2)c(C)o1 ZINC000083647220 487732471 /nfs/dbraw/zinc/73/24/71/487732471.db2.gz NVJIWQTZVONUFH-SECBINFHSA-N 0 0 242.282 2.731 10 30 BFEERN CC1CC(C(=O)N[C@H](C#N)C2CCCCC2)C1 ZINC000531477883 323098235 /nfs/dbraw/zinc/09/82/35/323098235.db2.gz QRQCYOFBMABSAI-KGPNIALWSA-N 0 0 234.343 2.621 10 30 BFEERN C#C[C@@](O)(C1CCCCC1)C1(C#N)CCC1 ZINC000584600202 488018285 /nfs/dbraw/zinc/01/82/85/488018285.db2.gz BKXMRACQEMIUTH-CQSZACIVSA-N 0 0 217.312 2.625 10 30 BFEERN Cc1ccoc1CSCCO[C@H](C)C#N ZINC000757166148 582548408 /nfs/dbraw/zinc/54/84/08/582548408.db2.gz PDIWEILDEUSKNO-SNVBAGLBSA-N 0 0 225.313 2.750 10 30 BFEERN C[C@]1(c2ccc(F)cc2Cl)O[C@H]1C#N ZINC000306521026 582653025 /nfs/dbraw/zinc/65/30/25/582653025.db2.gz KLOFTXCGNJWSAX-VHSXEESVSA-N 0 0 211.623 2.617 10 30 BFEERN Fc1c(C[C@H]2CO2)ccc2ccccc21 ZINC000307295782 582655234 /nfs/dbraw/zinc/65/52/34/582655234.db2.gz PDVOUQKUCTZLFY-NSHDSACASA-N 0 0 202.228 2.920 10 30 BFEERN CCOC=Nc1oc(-c2ccccc2)nc1C#N ZINC000254748956 521660543 /nfs/dbraw/zinc/66/05/43/521660543.db2.gz HPARQAUNSSJOSQ-UHFFFAOYSA-N 0 0 241.250 2.910 10 30 BFEERN C=CCC1(C(=O)N[C@H](C)C(C)C)CCC1 ZINC000191668094 534591652 /nfs/dbraw/zinc/59/16/52/534591652.db2.gz DUKOFQAVQMBFQF-LLVKDONJSA-N 0 0 209.333 2.894 10 30 BFEERN C=C[C@@](C)(CC)C(=O)N[C@@H]1COc2ccccc21 ZINC000134993318 534613470 /nfs/dbraw/zinc/61/34/70/534613470.db2.gz WYPGMVHIWYTTGH-DOMZBBRYSA-N 0 0 245.322 2.839 10 30 BFEERN COc1ccc(CC#N)c(C2(O)CCCCC2)c1 ZINC000087491421 523886289 /nfs/dbraw/zinc/88/62/89/523886289.db2.gz FVXZCUNGWGVTNG-UHFFFAOYSA-N 0 0 245.322 2.913 10 30 BFEERN Cc1nc2sccc2c(SCC#N)n1 ZINC000040538546 527210381 /nfs/dbraw/zinc/21/03/81/527210381.db2.gz HHKSXMKVZKKYQG-UHFFFAOYSA-N 0 0 221.310 2.615 10 30 BFEERN FC(F)(Cl)C(F)(F)[C@@]1(F)OC1(F)F ZINC000080440388 527661944 /nfs/dbraw/zinc/66/19/44/527661944.db2.gz OOUGAPJYKWGUNR-UWTATZPHSA-N 0 0 232.482 2.742 10 30 BFEERN CC(C)(C#N)c1nc(CC2=CCCC2)no1 ZINC000329560508 535006000 /nfs/dbraw/zinc/00/60/00/535006000.db2.gz IVQHDIJDSOKUPT-UHFFFAOYSA-N 0 0 217.272 2.524 10 30 BFEERN CC1(C)[C@H]2CC[C@]1(C)C(=NOC[C@@H]1CO1)C2 ZINC000238808732 535095848 /nfs/dbraw/zinc/09/58/48/535095848.db2.gz OJBHYQHZQDEUEM-OUJBWJOFSA-N 0 0 223.316 2.604 10 30 BFEERN Cc1coc2c1C(=O)C1=C(C)CC[C@H](O)[C@@]1(C)C2 ZINC000013412523 560103290 /nfs/dbraw/zinc/10/32/90/560103290.db2.gz PFIXJSCFTAVWBW-XHDPSFHLSA-N 0 0 246.306 2.804 10 30 endogenous,in-man BFEERN CC1=CC(=O)CC(C)(C)[C@]12CC[C@H](C)O2 ZINC000014765844 571722473 /nfs/dbraw/zinc/72/24/73/571722473.db2.gz AXQMCYYCOKLZPP-GWCFXTLKSA-N 0 0 208.301 2.869 10 30 endogenous,in-man BFEERN C[C@@]12CC[C@H]3[C@H](CC3(C)C)C(=O)CC[C@@H]1O2 ZINC000003978553 574412147 /nfs/dbraw/zinc/41/21/47/574412147.db2.gz UETZJEZFLKASPR-JYYRZZBQSA-N 0 0 222.328 2.949 10 30 endogenous,in-man BFEERN Cc1coc2c1C[C@@H]1O[C@]1(C)CC[C@H]1O[C@]1(C)C2 ZINC000005663090 574412561 /nfs/dbraw/zinc/41/25/61/574412561.db2.gz FNQFNSGVMLMZNV-LXTVHRRPSA-N 0 0 248.322 2.782 10 30 endogenous,in-man BFEERN C[C@]12CC[C@H]3[C@H](CC3(C)C)C(=O)CC[C@@H]1O2 ZINC000008681392 574412949 /nfs/dbraw/zinc/41/29/49/574412949.db2.gz UETZJEZFLKASPR-WRZDFSGXSA-N 0 0 222.328 2.949 10 30 endogenous,in-man BFEERN COC(=O)[C@]1(Cl)OC12CCC(C(C)C)CC2 ZINC000234589704 582460457 /nfs/dbraw/zinc/46/04/57/582460457.db2.gz ZDYSFARGNBQVHA-NHNAUAITSA-N 0 0 246.734 2.710 10 30 BFEERN C=C[C@H](C)N1C(=S)N=NC1c1ccc(O)cc1 ZINC000757127588 582503046 /nfs/dbraw/zinc/50/30/46/582503046.db2.gz CTGMADXOMNIXDN-QMMMGPOBSA-N 0 0 247.323 2.686 10 30 BFEERN C=C[C@@H](C)N1C(=S)N=NC1c1ccccc1O ZINC000757131702 582505534 /nfs/dbraw/zinc/50/55/34/582505534.db2.gz OYHBBIWMUXBRMM-MRVPVSSYSA-N 0 0 247.323 2.686 10 30 BFEERN C[C@@H]1[C@H](S)CCCN1C(=O)OC(C)(C)C ZINC000757159961 582541415 /nfs/dbraw/zinc/54/14/15/582541415.db2.gz IHZHEYUSRLOSHN-RKDXNWHRSA-N 0 0 231.361 2.704 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](S)C12CCC2 ZINC000757163111 582545398 /nfs/dbraw/zinc/54/53/98/582545398.db2.gz KNXCQCIAIDFMGJ-RKDXNWHRSA-N 0 0 243.372 2.752 10 30 BFEERN Cc1nc(CS)sc1Br ZINC000757164283 582545897 /nfs/dbraw/zinc/54/58/97/582545897.db2.gz ZFWUNPXFUGPSNU-UHFFFAOYSA-N 0 0 224.148 2.644 10 30 BFEERN Clc1ccc(CSC[C@H]2CO2)o1 ZINC000757168771 582549918 /nfs/dbraw/zinc/54/99/18/582549918.db2.gz DAVDVGXHOMMBMD-SSDOTTSWSA-N 0 0 204.678 2.565 10 30 BFEERN C[C@@]1(c2ccc(F)cc2Cl)O[C@@H]1C#N ZINC000306521027 582653175 /nfs/dbraw/zinc/65/31/75/582653175.db2.gz KLOFTXCGNJWSAX-ZJUUUORDSA-N 0 0 211.623 2.617 10 30 BFEERN CC(=O)[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000111690964 582861124 /nfs/dbraw/zinc/86/11/24/582861124.db2.gz QZHKBNVUAXHMIX-LLVKDONJSA-N 0 0 246.285 2.503 10 30 BFEERN C=C[C@H](C)NC(=S)NCCCCCC ZINC000757135179 586427062 /nfs/dbraw/zinc/42/70/62/586427062.db2.gz RGDWLGVKOLXDEL-JTQLQIEISA-N 0 0 214.378 2.605 10 30 BFEERN Cc1cc(CN(C)C/C=N/O)ccc1Cl ZINC000757157668 586430627 /nfs/dbraw/zinc/43/06/27/586430627.db2.gz MMWHQZVDNDFYPQ-WLRTZDKTSA-N 0 0 226.707 2.540 10 30 BFEERN Oc1cccc(CS)c1Br ZINC000757158864 586430648 /nfs/dbraw/zinc/43/06/48/586430648.db2.gz BNPCAECFPUPADX-UHFFFAOYSA-N 0 0 219.103 2.585 10 30 BFEERN C[C@@H]1CC[C@H](S)CN1C(=O)OC(C)(C)C ZINC000757162467 586432238 /nfs/dbraw/zinc/43/22/38/586432238.db2.gz IGFLESYXCOJZPP-BDAKNGLRSA-N 0 0 231.361 2.704 10 30 BFEERN Cc1cc(CN[C@H]2CCC[C@H]2C#N)c(C)o1 ZINC000132451872 591710372 /nfs/dbraw/zinc/71/03/72/591710372.db2.gz FOUQPNSOYALNOM-AAEUAGOBSA-N 0 0 218.300 2.678 10 30 BFEERN Cc1ccc(-c2nc(Cl)c(C#N)[nH]2)cc1 ZINC000221204032 592401544 /nfs/dbraw/zinc/40/15/44/592401544.db2.gz YZSMUEDGCRSSDL-UHFFFAOYSA-N 0 0 217.659 2.910 10 30 BFEERN CC[C@H](Nc1nc(C)cc(C#N)n1)C(C)C ZINC000231898359 635507884 /nfs/dbraw/zinc/50/78/84/635507884.db2.gz CFWBVKDBSJDBHJ-NSHDSACASA-N 0 0 218.304 2.503 10 30 BFEERN C=C(Cl)COC(=O)[C@H]1CCC[C@H]1C ZINC000308271537 631235638 /nfs/dbraw/zinc/23/56/38/631235638.db2.gz SCXDAXUNMXGYHK-APPZFPTMSA-N 0 0 202.681 2.718 10 30 BFEERN CC[C@H](Nc1cc(C#N)nc(C)n1)C(C)C ZINC000308428275 631333320 /nfs/dbraw/zinc/33/33/20/631333320.db2.gz SCUFBXUBBLJSGM-NSHDSACASA-N 0 0 218.304 2.503 10 30 BFEERN C/C(=C/C(=O)N[C@H](C)C#N)c1cccc(Cl)c1 ZINC000255724088 632705672 /nfs/dbraw/zinc/70/56/72/632705672.db2.gz SLGFUVLWSDCVJF-ABRRARGCSA-N 0 0 248.713 2.772 10 30 BFEERN C[C@@H]1C(=O)CC[C@@H]1CC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000330011228 633128750 /nfs/dbraw/zinc/12/87/50/633128750.db2.gz IPYVVJYVMDBOSJ-IRCOFANPSA-N 0 0 248.326 2.640 10 30 BFEERN CCCCCCCN1C(=O)[C@H]2CC=CC[C@@H]2C1=O ZINC000123669020 634252141 /nfs/dbraw/zinc/25/21/41/634252141.db2.gz KKWZOKFHCRRPMB-STQMWFEESA-N 0 0 249.354 2.908 10 30 BFEERN CC(C)CN(CCC#N)C(=O)[C@H]1CCC[C@H]1C ZINC000230170742 641031619 /nfs/dbraw/zinc/03/16/19/641031619.db2.gz SIBKNDJSHZDDCG-OLZOCXBDSA-N 0 0 236.359 2.821 10 30 BFEERN CCCCC[C@H](C)CC(=O)N[C@H](C)C#N ZINC000173865364 641208868 /nfs/dbraw/zinc/20/88/68/641208868.db2.gz ZNTCMEQDPASZRF-WDEREUQCSA-N 0 0 210.321 2.621 10 30 BFEERN CCCCC[C@@H](C)CC(=O)N[C@H](C)C#N ZINC000173865355 641209501 /nfs/dbraw/zinc/20/95/01/641209501.db2.gz ZNTCMEQDPASZRF-GHMZBOCLSA-N 0 0 210.321 2.621 10 30 BFEERN C#CCCOC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000174058137 641232324 /nfs/dbraw/zinc/23/23/24/641232324.db2.gz CQXZVXUJTMGREG-QWHCGFSZSA-N 0 0 220.312 2.769 10 30 BFEERN CC(C)(C#N)OC(=O)c1cccc2cc[nH]c21 ZINC000181839633 642911453 /nfs/dbraw/zinc/91/14/53/642911453.db2.gz UYEVXAAZNPLBMF-UHFFFAOYSA-N 0 0 228.251 2.627 10 30 BFEERN C[C@H](OC(=O)CSCC#N)c1cccs1 ZINC000194557626 644329475 /nfs/dbraw/zinc/32/94/75/644329475.db2.gz RXCFVRLYHLPXIE-QMMMGPOBSA-N 0 0 241.337 2.609 10 30 BFEERN C#CC[C@H](OC(=O)[C@@H]1C[C@H]1C1CC1)C(C)C ZINC000246204282 644573108 /nfs/dbraw/zinc/57/31/08/644573108.db2.gz XJUKKNQCUGJOHA-XQQFMLRXSA-N 0 0 220.312 2.624 10 30 BFEERN CCCCCCCCC(=O)NCC1CC(O)C1 ZINC000091525938 644629982 /nfs/dbraw/zinc/62/99/82/644629982.db2.gz BHUNSAXVDKKTHE-UHFFFAOYSA-N 0 0 241.375 2.624 10 30 BFEERN C[C@H](OC(=O)Cc1cccc(F)c1)C(C)(C)C#N ZINC000178813489 711764807 /nfs/dbraw/zinc/76/48/07/711764807.db2.gz BLZZRUZTSDNUIG-JTQLQIEISA-N 0 0 249.285 2.850 10 30 BFEERN CSC1CC(Nc2cc(C#N)cc(C)n2)C1 ZINC000708313143 712186206 /nfs/dbraw/zinc/18/62/06/712186206.db2.gz RXZQLPRTVDIBQL-UHFFFAOYSA-N 0 0 233.340 2.568 10 30 BFEERN C=C(Br)COC(=O)[C@@H]1CCC[C@@H]1C ZINC000379379737 712379867 /nfs/dbraw/zinc/37/98/67/712379867.db2.gz BGRQUDRWTDDNJR-IONNQARKSA-N 0 0 247.132 2.874 10 30 BFEERN C#CC[N@H+](Cc1cccc(C(=O)[O-])c1)C(C)(C)C ZINC000723035906 955199694 /nfs/dbraw/zinc/19/96/94/955199694.db2.gz JCMJESGKFUKHEL-UHFFFAOYSA-N 0 0 245.322 2.619 10 30 BFEERN C#C[C@@H](C)NC(=O)C/C=C\c1ccc(C)cc1 ZINC000588512799 958878749 /nfs/dbraw/zinc/87/87/49/958878749.db2.gz PXRFUFRWEUUQAH-CFHLNLSMSA-N 0 0 227.307 2.536 10 30 BFEERN C=C[C@@H](C)OC(=O)/C=C\c1cccs1 ZINC000588539605 959013130 /nfs/dbraw/zinc/01/31/30/959013130.db2.gz HJFUCHSXTFTQSB-ATJFRQLMSA-N 0 0 208.282 2.879 10 30 BFEERN CC[C@H](CC#N)OC(=O)/C=C\c1cccs1 ZINC000588558096 959168096 /nfs/dbraw/zinc/16/80/96/959168096.db2.gz AHPNUQBDMYYFOK-WWQCOOJYSA-N 0 0 235.308 2.997 10 30 BFEERN COc1ccsc1C(=O)/C=C\c1cocn1 ZINC000588580361 959355490 /nfs/dbraw/zinc/35/54/90/959355490.db2.gz NXZATVOXRDCVIS-IHWYPQMZSA-N 0 0 235.264 2.641 10 30 BFEERN C#CCCCCC[N@@H+](CC(=O)[O-])C1CCCC1 ZINC000686676233 976114762 /nfs/dbraw/zinc/11/47/62/976114762.db2.gz RUVHRVIXPHBZNU-UHFFFAOYSA-N 0 0 237.343 2.509 10 30 BFEERN C=CC[C@@H]1CCCC[C@H]1[NH2+]CCCCC(=O)[O-] ZINC000692241399 976407905 /nfs/dbraw/zinc/40/79/05/976407905.db2.gz UCEWBFZTXRVGFI-CHWSQXEVSA-N 0 0 239.359 2.966 10 30 BFEERN CC(C)(C)OC(=O)C#C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000685954020 538898478 /nfs/dbraw/zinc/89/84/78/538898478.db2.gz RKHDUYOXXGAUGU-QJPTWQEYSA-N 0 0 220.312 2.768 10 30 BFEERN C/C=C/C(=O)C1(NC(=O)OC(C)(C)C)CCC1 ZINC000685959095 538906276 /nfs/dbraw/zinc/90/62/76/538906276.db2.gz KQZRTOSMJMSAKT-FNORWQNLSA-N 0 0 239.315 2.579 10 30 BFEERN C[C@@H]1CC[C@@H](C#CC(=O)OC(C)(C)C)C1 ZINC000685952781 538896813 /nfs/dbraw/zinc/89/68/13/538896813.db2.gz CZLHDBVSGDRPMC-MNOVXSKESA-N 0 0 208.301 2.768 10 30 BFEERN C=CC[C@@H](C)n1cc2ccc(N)cc2n1 ZINC000685965746 538912381 /nfs/dbraw/zinc/91/23/81/538912381.db2.gz RDZDOUVEIBUHMJ-SECBINFHSA-N 0 0 201.273 2.756 10 30 BFEERN Cc1cc(CN[C@@H]2CCC[C@@H]2C#N)cc(C)c1O ZINC000061891758 178033643 /nfs/dbraw/zinc/03/36/43/178033643.db2.gz MFYNIMIPXQYKJT-ZIAGYGMSSA-N 0 0 244.338 2.791 10 30 BFEERN Cc1cc(F)ccc1[C@H](C#N)NC(C)C ZINC000050579385 178092401 /nfs/dbraw/zinc/09/24/01/178092401.db2.gz YVNZAHLQLQIEQW-LBPRGKRZSA-N 0 0 206.264 2.697 10 30 BFEERN Cc1cc(N2CC[C@@H](C)[C@@H]2C)c(C#N)c(C)n1 ZINC000160768746 178117827 /nfs/dbraw/zinc/11/78/27/178117827.db2.gz QKIJCDNDFDFFPV-SKDRFNHKSA-N 0 0 229.327 2.805 10 30 BFEERN Cc1cc(N2C[C@H]3CCC[C@@H]3C2)c(C#N)c(C)n1 ZINC000125087582 178122686 /nfs/dbraw/zinc/12/26/86/178122686.db2.gz QWANWOKTJOQMLB-CHWSQXEVSA-N 0 0 241.338 2.806 10 30 BFEERN C=C(C)C(=O)c1cc(F)c(F)c(OC)c1 ZINC000379775391 361737530 /nfs/dbraw/zinc/73/75/30/361737530.db2.gz MLXNGZCFMQVPJV-UHFFFAOYSA-N 0 0 212.195 2.732 10 30 BFEERN COC(=O)[C@]1(C)OC1(CC(C)C)CC(C)C ZINC000163903102 538931020 /nfs/dbraw/zinc/93/10/20/538931020.db2.gz VLJHGWDOGFLQIC-LBPRGKRZSA-N 0 0 228.332 2.779 10 30 BFEERN Cc1cc(OCC#N)c(C)cc1Br ZINC000011834423 178208600 /nfs/dbraw/zinc/20/86/00/178208600.db2.gz VNUOIWTXDPXWJB-UHFFFAOYSA-N 0 0 240.100 2.968 10 30 BFEERN Cc1cc([C@@H](C)N[C@H](C)C#N)c(C)s1 ZINC000043515489 178230153 /nfs/dbraw/zinc/23/01/53/178230153.db2.gz TXCYTWXWPBWOPB-VXNVDRBHSA-N 0 0 208.330 2.928 10 30 BFEERN C=CC(=O)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000164968170 538934436 /nfs/dbraw/zinc/93/44/36/538934436.db2.gz GOHHAXADXDZDHP-JTQLQIEISA-N 0 0 239.315 2.531 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@@]1(C)CC1CCC1 ZINC000229762680 538941309 /nfs/dbraw/zinc/94/13/09/538941309.db2.gz PBTUMSQJWAQGPZ-STQMWFEESA-N 0 0 226.316 2.677 10 30 BFEERN CC#CCCn1c2ccccc2nc1[C@@H](C)O ZINC000184900268 136229265 /nfs/dbraw/zinc/22/92/65/136229265.db2.gz DGYVDJPNZIENGV-LLVKDONJSA-N 0 0 228.295 2.503 10 30 BFEERN Cc1cc2ncn(-c3ncccc3C#N)c2cc1C ZINC000019801858 178304779 /nfs/dbraw/zinc/30/47/79/178304779.db2.gz AKVUVSJTZAFHEM-UHFFFAOYSA-N 0 0 248.289 2.909 10 30 BFEERN Cc1ccc(-c2[nH]c(C#N)nc2Cl)cc1 ZINC000095830599 178316773 /nfs/dbraw/zinc/31/67/73/178316773.db2.gz AHLIZUWPYRQFHY-UHFFFAOYSA-N 0 0 217.659 2.910 10 30 BFEERN CCC(CC)N(C)c1ccc(C#N)cn1 ZINC000036789339 168368857 /nfs/dbraw/zinc/36/88/57/168368857.db2.gz VBXMVDVVMOFUSY-UHFFFAOYSA-N 0 0 203.289 2.578 10 30 BFEERN Cc1ccc(C#N)c(NCc2nccs2)c1 ZINC000051579635 178364679 /nfs/dbraw/zinc/36/46/79/178364679.db2.gz XEAHHJZOLKPDLZ-UHFFFAOYSA-N 0 0 229.308 2.935 10 30 BFEERN C=CC(=O)c1cccc(NC(=O)OC(C)(C)C)n1 ZINC000405980371 538962236 /nfs/dbraw/zinc/96/22/36/538962236.db2.gz NLUMICYAJNESHK-UHFFFAOYSA-N 0 0 248.282 2.797 10 30 BFEERN N#CCOc1c(Cl)cc(Cl)cc1C=O ZINC000035662306 342754996 /nfs/dbraw/zinc/75/49/96/342754996.db2.gz GRYVSQPYRHAJTG-UHFFFAOYSA-N 0 0 230.050 2.708 10 30 BFEERN CCCCOc1ccc(/C=C/C(=O)NO)cc1C ZINC000005298789 342761567 /nfs/dbraw/zinc/76/15/67/342761567.db2.gz MPNVSKLDSKNFBT-SOFGYWHQSA-N 0 0 249.310 2.693 10 30 BFEERN CCCCC/C(=N\NC(N)=S)c1ccccc1 ZINC000005417739 342763582 /nfs/dbraw/zinc/76/35/82/342763582.db2.gz JDUCHZITNJKBHX-NTCAYCPXSA-N 0 0 249.383 2.804 10 30 BFEERN N#Cc1nc2cc3c(cc2s1)NCCC3 ZINC000147241889 342774033 /nfs/dbraw/zinc/77/40/33/342774033.db2.gz NMVMBRQVPABUDM-UHFFFAOYSA-N 0 0 215.281 2.526 10 30 BFEERN C=C1N(CC(=O)OCC)c2ccccc2C1(C)C ZINC000147443047 342775907 /nfs/dbraw/zinc/77/59/07/342775907.db2.gz MUYXLKOZOFMOBF-UHFFFAOYSA-N 0 0 245.322 2.861 10 30 BFEERN CC[C@](C)(C#N)NC(=O)OCc1ccccc1 ZINC000148982366 342792830 /nfs/dbraw/zinc/79/28/30/342792830.db2.gz YEXQEZABGXFXRB-CYBMUJFWSA-N 0 0 232.283 2.605 10 30 BFEERN C=C(Cl)CNc1ccc(F)cc1C#N ZINC000097635665 342813707 /nfs/dbraw/zinc/81/37/07/342813707.db2.gz SFFFBFJUKVSYBF-UHFFFAOYSA-N 0 0 210.639 2.862 10 30 BFEERN CCC[C@]1(C(=O)OCC)O[C@]12CC[C@H](C)C2 ZINC000212073758 539027498 /nfs/dbraw/zinc/02/74/98/539027498.db2.gz HFWAORXFRMGJIA-WCFLWFBJSA-N 0 0 226.316 2.677 10 30 BFEERN C=CCSCC(=O)c1ccccc1F ZINC000388682868 539015251 /nfs/dbraw/zinc/01/52/51/539015251.db2.gz JRHGZZZJRVGHFJ-UHFFFAOYSA-N 0 0 210.273 2.928 10 30 BFEERN Cc1ccc(CN[C@@H]2CCC[C@@H]2C#N)c(F)c1 ZINC000602608179 349630708 /nfs/dbraw/zinc/63/07/08/349630708.db2.gz QKQFIUFLVWLTKP-BXUZGUMPSA-N 0 0 232.302 2.916 10 30 BFEERN O=C1C=CO[C@H](c2cc(F)cc(F)c2)C1 ZINC000236153913 398306475 /nfs/dbraw/zinc/30/64/75/398306475.db2.gz PWWLMIUGCFDPAU-NSHDSACASA-N 0 0 210.179 2.509 10 30 BFEERN CC(=O)/C(C)=C/c1sc(N(C)C)nc1Cl ZINC000308774833 342870721 /nfs/dbraw/zinc/87/07/21/342870721.db2.gz VUBRVUHGDZPVJW-AATRIKPKSA-N 0 0 244.747 2.855 10 30 BFEERN N#Cc1cc(OC(F)(F)F)cnc1C(F)F ZINC000309180551 342903376 /nfs/dbraw/zinc/90/33/76/342903376.db2.gz CNFLKUMXMXPZHW-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN CC(C)(C)Oc1nc(Cl)c(F)cc1C#N ZINC000575433887 398327701 /nfs/dbraw/zinc/32/77/01/398327701.db2.gz UEXIKLMRZOXTCA-UHFFFAOYSA-N 0 0 228.654 2.923 10 30 BFEERN CC(C)(C)c1nc(Cl)c(C#N)cc1C#N ZINC000575433759 398327856 /nfs/dbraw/zinc/32/78/56/398327856.db2.gz HHWDNUBVWPOBKT-UHFFFAOYSA-N 0 0 219.675 2.776 10 30 BFEERN COc1cc(C)ccc1OCCCC#N ZINC000019510560 342950625 /nfs/dbraw/zinc/95/06/25/342950625.db2.gz XRWTUYXTFBEDRO-UHFFFAOYSA-N 0 0 205.257 2.686 10 30 BFEERN C#CCC(=O)c1cccc(Br)c1C ZINC000167709268 346901412 /nfs/dbraw/zinc/90/14/12/346901412.db2.gz JCPKKCCZXOZRFC-UHFFFAOYSA-N 0 0 237.096 2.964 10 30 BFEERN C#CCC(=O)c1ccc(C)cc1Br ZINC000167707982 346900932 /nfs/dbraw/zinc/90/09/32/346900932.db2.gz WLQUMPBBYUDRDB-UHFFFAOYSA-N 0 0 237.096 2.964 10 30 BFEERN N#Cc1ccc(/C=C/Br)cc1 ZINC000036405041 342992321 /nfs/dbraw/zinc/99/23/21/342992321.db2.gz VYWMRUNSZWVTKD-AATRIKPKSA-N 0 0 208.058 2.924 10 30 BFEERN C=CC[C@H](CCc1ccccc1)NC(=O)OC ZINC000036405730 342992895 /nfs/dbraw/zinc/99/28/95/342992895.db2.gz VJXOABLGMIJUOE-CYBMUJFWSA-N 0 0 233.311 2.920 10 30 BFEERN C=CCSCC(=O)c1ccc(C#N)cc1 ZINC000308793790 346914183 /nfs/dbraw/zinc/91/41/83/346914183.db2.gz JHOZIAVUOBQTNW-UHFFFAOYSA-N 0 0 217.293 2.660 10 30 BFEERN Cc1cc2ncc(C#Cc3ccc(C)cc3)cn2n1 ZINC000117725846 343013551 /nfs/dbraw/zinc/01/35/51/343013551.db2.gz XZZAALUPGOKECY-UHFFFAOYSA-N 0 0 247.301 2.746 10 30 BFEERN CCC(F)(F)CN[C@H]1CCCC[C@H]1C#N ZINC000602882843 349791818 /nfs/dbraw/zinc/79/18/18/349791818.db2.gz FTQNJHSXPAJNDI-UWVGGRQHSA-N 0 0 216.275 2.704 10 30 BFEERN N#CCCC(=O)c1ccc(Cl)c(F)c1 ZINC000043388942 343061660 /nfs/dbraw/zinc/06/16/60/343061660.db2.gz URMOSUWENLVQCT-UHFFFAOYSA-N 0 0 211.623 2.966 10 30 BFEERN O=C(C#Cc1ccsc1)c1ccccc1 ZINC000140764295 343079260 /nfs/dbraw/zinc/07/92/60/343079260.db2.gz OOWRDECSKRISQH-UHFFFAOYSA-N 0 0 212.273 2.983 10 30 BFEERN C#CC(C)(C)OCc1cccc(OC)c1 ZINC000584882446 343084559 /nfs/dbraw/zinc/08/45/59/343084559.db2.gz IFRYOLMYMHSGAQ-UHFFFAOYSA-N 0 0 204.269 2.624 10 30 BFEERN C[C@@H]1CCC[C@H](C(=O)N[C@H]2CCC[C@H]2C#N)C1 ZINC000383211542 362013493 /nfs/dbraw/zinc/01/34/93/362013493.db2.gz PZTCZTFXCGHFFR-VOAKCMCISA-N 0 0 234.343 2.621 10 30 BFEERN C=C(C(=O)C(OCC)OCC)c1ccccc1 ZINC000043504235 343101304 /nfs/dbraw/zinc/10/13/04/343101304.db2.gz NXCQANRJKFRLNB-UHFFFAOYSA-N 0 0 234.295 2.668 10 30 BFEERN C[C@@H](N=C(NC#N)Nc1ccccc1)C(C)(C)C ZINC000013777065 343104004 /nfs/dbraw/zinc/10/40/04/343104004.db2.gz BNIZYODSEJZOIY-LLVKDONJSA-N 0 0 244.342 2.960 10 30 BFEERN CC[C@H]1CN=C(Nc2ccccc2)S1 ZINC000026441369 343105172 /nfs/dbraw/zinc/10/51/72/343105172.db2.gz IMIAIEHSUWQWLJ-JTQLQIEISA-N 0 0 206.314 2.789 10 30 BFEERN CC[C@@H]1CN=C(Nc2ccccc2)S1 ZINC000026441365 343105263 /nfs/dbraw/zinc/10/52/63/343105263.db2.gz IMIAIEHSUWQWLJ-SNVBAGLBSA-N 0 0 206.314 2.789 10 30 BFEERN CCC=C=C[S@@](=O)c1ccc(C)cc1 ZINC000196092540 343107784 /nfs/dbraw/zinc/10/77/84/343107784.db2.gz BWHIAZCSYOJMMP-CQSZACIVSA-N 0 0 206.310 2.864 10 30 BFEERN C[C@H](Sc1ccccc1Cl)/C(N)=N/O ZINC000043517079 343118040 /nfs/dbraw/zinc/11/80/40/343118040.db2.gz NDKDDOCDJUKMJL-LURJTMIESA-N 0 0 230.720 2.567 10 30 BFEERN C=C(CC)COc1ccccc1CC(=O)OC ZINC000201356722 343120962 /nfs/dbraw/zinc/12/09/62/343120962.db2.gz OWNLUYJQYKKIEL-UHFFFAOYSA-N 0 0 234.295 2.747 10 30 BFEERN CC(=O)Nc1cc(C(F)(F)F)ccc1C#N ZINC000039647855 343126041 /nfs/dbraw/zinc/12/60/41/343126041.db2.gz ZGYLAXRVUNBNIS-UHFFFAOYSA-N 0 0 228.173 2.535 10 30 BFEERN CC[C@@H](C#N)Oc1ccc(Cl)cc1N ZINC000043538510 343132184 /nfs/dbraw/zinc/13/21/84/343132184.db2.gz WLCZYIHDAHKOOC-QMMMGPOBSA-N 0 0 210.664 2.603 10 30 BFEERN CC[C@@H](C#N)Oc1ccc(N)cc1Cl ZINC000043538514 343132367 /nfs/dbraw/zinc/13/23/67/343132367.db2.gz PVINWXGLGWOPQH-QMMMGPOBSA-N 0 0 210.664 2.603 10 30 BFEERN CCN(Cc1cccs1)[C@@H](C)CC#N ZINC000042487728 136272797 /nfs/dbraw/zinc/27/27/97/136272797.db2.gz ZQXICCJXOALFOX-JTQLQIEISA-N 0 0 208.330 2.872 10 30 BFEERN C#CCCCOc1ccc(F)cc1[C@H](C)O ZINC000145064083 343197891 /nfs/dbraw/zinc/19/78/91/343197891.db2.gz JMPOTCYNSLEIBH-JTQLQIEISA-N 0 0 222.259 2.671 10 30 BFEERN COc1ccc(OC)c(C(=O)C=C(C)C)c1 ZINC000156102118 343198649 /nfs/dbraw/zinc/19/86/49/343198649.db2.gz HGBMCQFAGYODOX-UHFFFAOYSA-N 0 0 220.268 2.853 10 30 BFEERN C=C(CCCc1ccccc1)C(=O)NCC ZINC000238281355 343253797 /nfs/dbraw/zinc/25/37/97/343253797.db2.gz UMNMTGYGKKIFKK-UHFFFAOYSA-N 0 0 217.312 2.702 10 30 BFEERN CCSC#Cc1cccc([N+](=O)[O-])c1 ZINC000207460845 343263686 /nfs/dbraw/zinc/26/36/86/343263686.db2.gz KOMAIAOWBTVYNN-UHFFFAOYSA-N 0 0 207.254 2.657 10 30 BFEERN N#C[C@@H](C(=O)c1ccncc1)c1ccc(F)cc1 ZINC000034245841 343267103 /nfs/dbraw/zinc/26/71/03/343267103.db2.gz KWUNMXGYSDRFGV-CYBMUJFWSA-N 0 0 240.237 2.711 10 30 BFEERN CCCC(=N[C@@H]1CCc2ccccc21)NC#N ZINC000034381323 343268870 /nfs/dbraw/zinc/26/88/70/343268870.db2.gz XXYMYKWCGJLLTF-CYBMUJFWSA-N 0 0 227.311 2.943 10 30 BFEERN C#C[C@@H](O)CCc1ccc2ccccc2c1 ZINC000145862376 343270229 /nfs/dbraw/zinc/27/02/29/343270229.db2.gz TZWLNYYYNMRBEV-OAHLLOKOSA-N 0 0 210.276 2.767 10 30 BFEERN N#Cc1ccccc1C(=O)C(F)(F)C(F)F ZINC000309328150 343271110 /nfs/dbraw/zinc/27/11/10/343271110.db2.gz RSRRYWKSEBLFKP-UHFFFAOYSA-N 0 0 231.148 2.641 10 30 BFEERN C[C@H]1CC[C@H](C(=O)CC#CC(C)(C)C)O1 ZINC000300719745 343323535 /nfs/dbraw/zinc/32/35/35/343323535.db2.gz BCHFKJSZBRKHOR-CMPLNLGQSA-N 0 0 208.301 2.563 10 30 BFEERN Cc1[nH]c(C=O)cc1-c1ccc(C#N)cc1 ZINC000217567005 343297001 /nfs/dbraw/zinc/29/70/01/343297001.db2.gz KQSYRTJSUYWSLN-UHFFFAOYSA-N 0 0 210.236 2.674 10 30 BFEERN C[Si](C)(C)C#CC(=O)c1ccccc1[N+](=O)[O-] ZINC000217627669 343308869 /nfs/dbraw/zinc/30/88/69/343308869.db2.gz CURALSTWHPOHFN-UHFFFAOYSA-N 0 0 247.326 2.658 10 30 BFEERN Cn1cccc1/C=N/Cc1cccs1 ZINC000039105328 343384843 /nfs/dbraw/zinc/38/48/43/343384843.db2.gz GAOCYCGYMQVUID-XYOKQWHBSA-N 0 0 204.298 2.706 10 30 BFEERN O=C1c2ccccc2N/C1=C/c1cc(F)c[nH]1 ZINC000045817544 343534880 /nfs/dbraw/zinc/53/48/80/343534880.db2.gz KPCFSQZKBMRRQJ-WUXMJOGZSA-N 0 0 228.226 2.803 10 30 BFEERN O=C(C#Cc1ccccc1)C(F)(F)C(F)(F)F ZINC000039253751 346948687 /nfs/dbraw/zinc/94/86/87/346948687.db2.gz VCARCPYEXCPAJO-UHFFFAOYSA-N 0 0 248.150 2.805 10 30 BFEERN N#CC1([C@@H](O)c2ccccc2)CCCC1 ZINC000085884367 343607208 /nfs/dbraw/zinc/60/72/08/343607208.db2.gz RMRNYRBANMKDLW-LBPRGKRZSA-N 0 0 201.269 2.804 10 30 BFEERN CC#C[C@H](O)C1(Cc2cccs2)CCC1 ZINC000167823139 343607535 /nfs/dbraw/zinc/60/75/35/343607535.db2.gz WQPSXFFUTIEQNM-LBPRGKRZSA-N 0 0 220.337 2.845 10 30 BFEERN O=CCn1ccc2cc(Br)ccc21 ZINC000050129968 343609818 /nfs/dbraw/zinc/60/98/18/343609818.db2.gz ATIRRRGZTAFTTN-UHFFFAOYSA-N 0 0 238.084 2.603 10 30 BFEERN CC[C@](C)(C=O)C[N@H+](C)Cc1ccccc1 ZINC000051175730 343623244 /nfs/dbraw/zinc/62/32/44/343623244.db2.gz HBEMMLWPNVLPNE-AWEZNQCLSA-N 0 0 219.328 2.734 10 30 BFEERN N#Cc1c(F)cccc1NCCC1=CCOCC1 ZINC000158123237 133497733 /nfs/dbraw/zinc/49/77/33/133497733.db2.gz AIMYODGKMUHUFD-UHFFFAOYSA-N 0 0 246.285 2.846 10 30 BFEERN N#Cc1c(OC(F)(F)F)cncc1C(F)F ZINC000309518264 343662405 /nfs/dbraw/zinc/66/24/05/343662405.db2.gz WOGVGAHVUBIVNR-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN CC[C@@H]1CCC[C@]2(CC1)O[C@]2(Cl)C(=O)OC ZINC000300033546 537802428 /nfs/dbraw/zinc/80/24/28/537802428.db2.gz XMQALVKYWYDAPZ-YUSALJHKSA-N 0 0 246.734 2.854 10 30 BFEERN C[Si](C)(C)C#Cc1ccc(N)c(F)c1 ZINC000196759608 343715813 /nfs/dbraw/zinc/71/58/13/343715813.db2.gz RIZOZHFUVNVWSJ-UHFFFAOYSA-N 0 0 207.324 2.637 10 30 BFEERN C=CC1(CN(C)C(=O)OC(C)(C)C)CC1 ZINC000409432557 343826919 /nfs/dbraw/zinc/82/69/19/343826919.db2.gz ONIIUYBSIZKGTP-UHFFFAOYSA-N 0 0 211.305 2.820 10 30 BFEERN Cc1[nH]nc(-c2cccs2)c1CCC#N ZINC000409441067 343855149 /nfs/dbraw/zinc/85/51/49/343855149.db2.gz PWCZJKTXABNACZ-UHFFFAOYSA-N 0 0 217.297 2.903 10 30 BFEERN N#CCn1nc(-c2ccccc2)c2c1CCC2 ZINC000409437543 343843593 /nfs/dbraw/zinc/84/35/93/343843593.db2.gz HYZVOQIOBKKKGN-UHFFFAOYSA-N 0 0 223.279 2.562 10 30 BFEERN C#CCn1nc(-c2ccncc2)cc1C(C)C ZINC000409439630 343847833 /nfs/dbraw/zinc/84/78/33/343847833.db2.gz JFPAPNMJQCWBLB-UHFFFAOYSA-N 0 0 225.295 2.702 10 30 BFEERN O=CCn1nc(-c2ccsc2)cc1C1CC1 ZINC000409437986 343849411 /nfs/dbraw/zinc/84/94/11/343849411.db2.gz BKKMWPSLDHYZGI-UHFFFAOYSA-N 0 0 232.308 2.688 10 30 BFEERN N#Cc1cc(Cl)nc(OC2CCCC2)c1 ZINC000215408927 349878138 /nfs/dbraw/zinc/87/81/38/349878138.db2.gz DEFNTUWZDVCJII-UHFFFAOYSA-N 0 0 222.675 2.928 10 30 BFEERN CC#CCCN1CCC(Cl)=C(Cl)C1 ZINC000306624919 343879606 /nfs/dbraw/zinc/87/96/06/343879606.db2.gz GETGVLXDMSIDSP-UHFFFAOYSA-N 0 0 218.127 2.795 10 30 BFEERN CN(c1cc(Cl)ccc1C#N)C1CC1 ZINC000062789878 347023608 /nfs/dbraw/zinc/02/36/08/347023608.db2.gz ASSIMJWRDBNETN-UHFFFAOYSA-N 0 0 206.676 2.810 10 30 BFEERN CC(C)(CF)Nc1nc(Cl)c(C#N)s1 ZINC000306309959 344104471 /nfs/dbraw/zinc/10/44/71/344104471.db2.gz LWTDGQWTELPORF-UHFFFAOYSA-N 0 0 233.699 2.828 10 30 BFEERN N#Cc1ccc(OC(=O)c2ccccc2)cc1C#N ZINC000000053710 344101186 /nfs/dbraw/zinc/10/11/86/344101186.db2.gz SXDJWZFTPLKQJW-UHFFFAOYSA-N 0 0 248.241 2.649 10 30 BFEERN C[C@H](C=O)Sc1nc2ccccc2s1 ZINC000616571897 344181972 /nfs/dbraw/zinc/18/19/72/344181972.db2.gz INYHSSKUZXTDFR-SSDOTTSWSA-N 0 0 223.322 2.976 10 30 BFEERN COc1ccc(Br)c(CS)c1 ZINC000234820120 344270537 /nfs/dbraw/zinc/27/05/37/344270537.db2.gz VRSPHBVPMIQERQ-UHFFFAOYSA-N 0 0 233.130 2.888 10 30 BFEERN O=C(c1ccoc1Cl)C1=COCCC1 ZINC000236035529 344284735 /nfs/dbraw/zinc/28/47/35/344284735.db2.gz CMLOVINMCIFACI-UHFFFAOYSA-N 0 0 212.632 2.810 10 30 BFEERN O=C1C=C/C(=C/Oc2ccc([N+](=O)[O-])cc2)S1 ZINC000199944459 344352299 /nfs/dbraw/zinc/35/22/99/344352299.db2.gz XSTCLNCPNGNRQI-YFHOEESVSA-N 0 0 249.247 2.645 10 30 BFEERN C=CCNc1cc(Cl)c(F)cc1N ZINC000236338043 344356745 /nfs/dbraw/zinc/35/67/45/344356745.db2.gz ACKSGSQJKJGCCT-UHFFFAOYSA-N 0 0 200.644 2.659 10 30 BFEERN O=C(C1=CCCCCC1)C1(O)CCCC1 ZINC000236472524 344390006 /nfs/dbraw/zinc/39/00/06/344390006.db2.gz QYIVKSJUYXJPJE-UHFFFAOYSA-N 0 0 208.301 2.751 10 30 BFEERN N#CCc1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000247746613 344391357 /nfs/dbraw/zinc/39/13/57/344391357.db2.gz QDBJHQCNPXIRII-UHFFFAOYSA-N 0 0 231.038 2.968 10 30 BFEERN CCCCOc1c(OC)cc(CC#N)cc1OC ZINC000037627717 344405128 /nfs/dbraw/zinc/40/51/28/344405128.db2.gz SWYPAENKBHIXLB-UHFFFAOYSA-N 0 0 249.310 2.949 10 30 BFEERN CCCOc1c(OC)cc(CC#N)cc1OC ZINC000037628161 344405689 /nfs/dbraw/zinc/40/56/89/344405689.db2.gz RHXGPIYVRAYMOC-UHFFFAOYSA-N 0 0 235.283 2.559 10 30 BFEERN CCn1cc(C#N)c(-c2ccsc2)n1 ZINC000409437104 344463411 /nfs/dbraw/zinc/46/34/11/344463411.db2.gz DPFQTMMKZBEPDB-UHFFFAOYSA-N 0 0 203.270 2.503 10 30 BFEERN Cc1cccc(CN[C@H]2CCCC[C@H]2C#N)n1 ZINC000054829155 344474166 /nfs/dbraw/zinc/47/41/66/344474166.db2.gz KTFLPVHIOIQVLV-JSGCOSHPSA-N 0 0 229.327 2.562 10 30 BFEERN N#Cc1cc(C(F)(F)F)ncc1C(F)(F)F ZINC000396088511 344599056 /nfs/dbraw/zinc/59/90/56/344599056.db2.gz SSODIWNMCIZUTC-UHFFFAOYSA-N 0 0 240.106 2.991 10 30 BFEERN CC1(C)CSC[C@](Br)(C#N)C1 ZINC000127704944 344610767 /nfs/dbraw/zinc/61/07/67/344610767.db2.gz OEDFNVKRDZVTFF-MRVPVSSYSA-N 0 0 234.162 2.807 10 30 BFEERN N#Cc1ccc(OC(F)(F)F)c(N)c1Cl ZINC000396144999 344618357 /nfs/dbraw/zinc/61/83/57/344618357.db2.gz RPYZZMRBXNTRNH-UHFFFAOYSA-N 0 0 236.580 2.692 10 30 BFEERN CC1(C)CCC[C@@]1(Br)C#N ZINC000127686059 344601733 /nfs/dbraw/zinc/60/17/33/344601733.db2.gz VYYIAKMKBARGOA-MRVPVSSYSA-N 0 0 202.095 2.854 10 30 BFEERN N#CCc1cccc(C#N)c1C(F)(F)F ZINC000396101002 344602416 /nfs/dbraw/zinc/60/24/16/344602416.db2.gz FZFKIGARYKEASJ-UHFFFAOYSA-N 0 0 210.158 2.643 10 30 BFEERN O=CCOc1ccc(OCc2ccccc2)cc1 ZINC000050160677 344650053 /nfs/dbraw/zinc/65/00/53/344650053.db2.gz ZDZDZYQTOULLTP-UHFFFAOYSA-N 0 0 242.274 2.843 10 30 BFEERN N#Cc1cc(N)c(Cl)cc1OC(F)(F)F ZINC000396147925 344621456 /nfs/dbraw/zinc/62/14/56/344621456.db2.gz ZCLSOYGJANRHBQ-UHFFFAOYSA-N 0 0 236.580 2.692 10 30 BFEERN N#CCCC(=O)c1c(F)cccc1Cl ZINC000033426761 344741716 /nfs/dbraw/zinc/74/17/16/344741716.db2.gz HKDXFHNYIUYYFK-UHFFFAOYSA-N 0 0 211.623 2.966 10 30 BFEERN CCCCCCC[C@@H](CO)CCCO ZINC000114654216 344692797 /nfs/dbraw/zinc/69/27/97/344692797.db2.gz OLIFWZDWJUIAHI-GFCCVEGCSA-N 0 0 202.338 2.728 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1NC(=O)c1cccs1 ZINC000259854349 344694865 /nfs/dbraw/zinc/69/48/65/344694865.db2.gz GEPQHCPHYMWVEH-UWVGGRQHSA-N 0 0 234.324 2.560 10 30 BFEERN C#C[C@@H](C)OCc1cnc(Cl)cc1Cl ZINC000235225063 344849666 /nfs/dbraw/zinc/84/96/66/344849666.db2.gz PQLBZQXXYINQKL-SSDOTTSWSA-N 0 0 230.094 2.927 10 30 BFEERN N#Cc1ccncc1SC1CCCC1 ZINC000135774160 344889738 /nfs/dbraw/zinc/88/97/38/344889738.db2.gz LMNFSKCKUCAFHC-UHFFFAOYSA-N 0 0 204.298 2.988 10 30 BFEERN Cc1nc(C[C@]2(C#N)CCCS2)cs1 ZINC000166453677 344900514 /nfs/dbraw/zinc/90/05/14/344900514.db2.gz UNVNXRPHKYAPGW-JTQLQIEISA-N 0 0 224.354 2.783 10 30 BFEERN Cc1ccc(N[C@@H](C)C(C)C)nc1C#N ZINC000302707655 178770207 /nfs/dbraw/zinc/77/02/07/178770207.db2.gz KHQKLSDWTLIUAQ-JTQLQIEISA-N 0 0 203.289 2.718 10 30 BFEERN C[C@H](CC#N)C(=O)c1cc(F)cc(F)c1 ZINC000235399533 344902179 /nfs/dbraw/zinc/90/21/79/344902179.db2.gz MXLYARHCONPOCI-SSDOTTSWSA-N 0 0 209.195 2.697 10 30 BFEERN CCOC(=O)c1cc2cc(Cl)cc(C#N)c2[nH]1 ZINC000514264995 344907920 /nfs/dbraw/zinc/90/79/20/344907920.db2.gz BQGHRUCZPNLILA-UHFFFAOYSA-N 0 0 248.669 2.870 10 30 BFEERN C#C[C@@H](C)NCc1cccc(F)c1Cl ZINC000166706512 344966862 /nfs/dbraw/zinc/96/68/62/344966862.db2.gz JMNRZGHIAGKKKE-MRVPVSSYSA-N 0 0 211.667 2.590 10 30 BFEERN CC(C)(C)Nc1nc(Cl)ccc1C#N ZINC000146029117 345029845 /nfs/dbraw/zinc/02/98/45/345029845.db2.gz FSYYDTJOVVLBJA-UHFFFAOYSA-N 0 0 209.680 2.817 10 30 BFEERN N#CCc1cc(C(F)(F)F)ccc1C#N ZINC000044371493 345044475 /nfs/dbraw/zinc/04/44/75/345044475.db2.gz ZJXPGUMRXIRYKD-UHFFFAOYSA-N 0 0 210.158 2.643 10 30 BFEERN N#Cc1ncc(Cl)cc1OC(F)(F)F ZINC000238530199 345068434 /nfs/dbraw/zinc/06/84/34/345068434.db2.gz PKKDHJAOFASJKF-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#Cc1cc(Cl)cnc1OC(F)(F)F ZINC000238548396 345074895 /nfs/dbraw/zinc/07/48/95/345074895.db2.gz UXKMRVQUBGCTCR-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#Cc1cc(Cl)cnc1C(F)(F)F ZINC000238582165 345084420 /nfs/dbraw/zinc/08/44/20/345084420.db2.gz ZNRJOWGNENOZAW-UHFFFAOYSA-N 0 0 206.554 2.625 10 30 BFEERN C=CC[C@]1(C(=O)[O-])CC[N@H+](Cc2ccccc2)C1 ZINC000667644195 537887913 /nfs/dbraw/zinc/88/79/13/537887913.db2.gz XIHBETZVHLAPNN-HNNXBMFYSA-N 0 0 245.322 2.539 10 30 BFEERN N#CCc1cnc(OC(F)(F)F)cc1Cl ZINC000238529189 345068110 /nfs/dbraw/zinc/06/81/10/345068110.db2.gz XMJJMONVIXGGLU-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN CC#CCCC(=O)c1cc(C)ccc1N ZINC000226507301 345229191 /nfs/dbraw/zinc/22/91/91/345229191.db2.gz BPTYPEFSSPWCFV-UHFFFAOYSA-N 0 0 201.269 2.563 10 30 BFEERN C=CCOc1nnc(Cl)c2ccccc21 ZINC000024576636 347086196 /nfs/dbraw/zinc/08/61/96/347086196.db2.gz JLAXRUWZVPWJSX-UHFFFAOYSA-N 0 0 220.659 2.848 10 30 BFEERN CCC[C@@H]1C[C@](Br)(C#N)CCO1 ZINC000127718761 345216650 /nfs/dbraw/zinc/21/66/50/345216650.db2.gz HQZKSMBGJSRAAC-BDAKNGLRSA-N 0 0 232.121 2.623 10 30 BFEERN C/C=C/C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000307250731 345311903 /nfs/dbraw/zinc/31/19/03/345311903.db2.gz MQNBXGUCLZPTMZ-STUBTGCMSA-N 0 0 239.315 2.531 10 30 BFEERN CCSC[C@@H](C)N(C)c1ccc(C#N)cn1 ZINC000080606125 345341748 /nfs/dbraw/zinc/34/17/48/345341748.db2.gz QXOUFQONTCSLFS-SNVBAGLBSA-N 0 0 235.356 2.531 10 30 BFEERN Cc1ccc([C@@H]2CN(CCCCC#N)CCO2)o1 ZINC000158905235 345386355 /nfs/dbraw/zinc/38/63/55/345386355.db2.gz RECBTTNOWWHSIE-AWEZNQCLSA-N 0 0 248.326 2.655 10 30 BFEERN N#Cc1cnc(Cc2cccs2)nc1Cl ZINC000307299234 345428716 /nfs/dbraw/zinc/42/87/16/345428716.db2.gz VBEAKZZXBIGXBG-UHFFFAOYSA-N 0 0 235.699 2.654 10 30 BFEERN C#C[C@H](C)Nc1cccc(Br)c1 ZINC000135162828 345434449 /nfs/dbraw/zinc/43/44/49/345434449.db2.gz LQDGFCZYVDUEGK-QMMMGPOBSA-N 0 0 224.101 2.883 10 30 BFEERN C#Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000159732907 345472639 /nfs/dbraw/zinc/47/26/39/345472639.db2.gz SSIJUHZFAGKQQB-UHFFFAOYSA-N 0 0 211.051 2.622 10 30 BFEERN N#Cc1cc(O)cc(OCc2ccccc2)c1 ZINC000113323431 345753497 /nfs/dbraw/zinc/75/34/97/345753497.db2.gz BIWMVSRQFQPUFX-UHFFFAOYSA-N 0 0 225.247 2.843 10 30 BFEERN N#Cc1cccc(CO[C@H]2CCCCO2)c1 ZINC000113924810 345755130 /nfs/dbraw/zinc/75/51/30/345755130.db2.gz BHVKGQFVWYMARD-ZDUSSCGKSA-N 0 0 217.268 2.601 10 30 BFEERN N#Cc1ccc(Sc2ccccn2)cc1C#N ZINC000114014970 345755560 /nfs/dbraw/zinc/75/55/60/345755560.db2.gz KPSZTDXZSPJCIT-UHFFFAOYSA-N 0 0 237.287 2.976 10 30 BFEERN OCCCCC#Cc1cnc2ccccc2c1 ZINC000034088728 345817034 /nfs/dbraw/zinc/81/70/34/345817034.db2.gz CNCHCMOANXTVPQ-UHFFFAOYSA-N 0 0 225.291 2.749 10 30 BFEERN CCCC(=O)N(CCC#N)c1ccccc1 ZINC000011638313 168535961 /nfs/dbraw/zinc/53/59/61/168535961.db2.gz AZIHCTIZFLVNFK-UHFFFAOYSA-N 0 0 216.284 2.733 10 30 BFEERN C[C@](O)(CC#N)Cc1ccc(Cl)cc1 ZINC000235716595 345792594 /nfs/dbraw/zinc/79/25/94/345792594.db2.gz GYRCZZGRBIIEHL-NSHDSACASA-N 0 0 209.676 2.547 10 30 BFEERN CC[C@@H](C)Nc1c(Cl)nsc1C#N ZINC000307601722 345842370 /nfs/dbraw/zinc/84/23/70/345842370.db2.gz SLALKYZDZMOUCJ-RXMQYKEDSA-N 0 0 215.709 2.879 10 30 BFEERN CCOP(=O)(C#CC(F)(F)F)OCC ZINC000136906861 345827167 /nfs/dbraw/zinc/82/71/67/345827167.db2.gz KSPDHXSREUTSBM-UHFFFAOYSA-N 0 0 230.122 2.776 10 30 BFEERN CO[C@H](C/C(N)=N/O)c1ccc2ccccc2c1 ZINC000034412758 345827535 /nfs/dbraw/zinc/82/75/35/345827535.db2.gz NWILWOWOONQXNE-CYBMUJFWSA-N 0 0 244.294 2.664 10 30 BFEERN C=CCc1cc2c(cc1O)C(C)(C)[C@@H](OC)O2 ZINC000034490736 345835496 /nfs/dbraw/zinc/83/54/96/345835496.db2.gz LMROIRXINMXQGS-ZDUSSCGKSA-N 0 0 234.295 2.763 10 30 BFEERN C=CCOc1ccc(OCC=C)c(C=O)c1 ZINC000034623358 345835959 /nfs/dbraw/zinc/83/59/59/345835959.db2.gz CLOKIYZKEMUQTE-UHFFFAOYSA-N 0 0 218.252 2.629 10 30 BFEERN Cc1ccc(F)cc1[C@H]1CC(=O)C=CO1 ZINC000235809362 345915631 /nfs/dbraw/zinc/91/56/31/345915631.db2.gz HVAWGUUXULVQGW-GFCCVEGCSA-N 0 0 206.216 2.678 10 30 BFEERN O=CC[C@@H](C1CCCCC1)n1cccn1 ZINC000144509657 345922385 /nfs/dbraw/zinc/92/23/85/345922385.db2.gz YOLCUCVMTIUDPU-LBPRGKRZSA-N 0 0 206.289 2.594 10 30 BFEERN [O-]/N=C/c1[nH+]c(-c2cccs2)n2ccccc12 ZINC000033960835 345956961 /nfs/dbraw/zinc/95/69/61/345956961.db2.gz GHKNJACQEKTTPO-MDWZMJQESA-N 0 0 243.291 2.871 10 30 BFEERN C#C[C@@H](C)Nc1ncc(Cl)cc1Cl ZINC000166901792 345949296 /nfs/dbraw/zinc/94/92/96/345949296.db2.gz YIMNFNOFOPGKPO-ZCFIWIBFSA-N 0 0 215.083 2.822 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)CCC1CCCC1 ZINC000061888585 346173384 /nfs/dbraw/zinc/17/33/84/346173384.db2.gz MPXGDBJEUJHNSU-QWHCGFSZSA-N 0 0 234.343 2.765 10 30 BFEERN Cc1coc(S[C@@H]2CCC[C@@H]2C#N)n1 ZINC000235941084 346173516 /nfs/dbraw/zinc/17/35/16/346173516.db2.gz AYYSBPUIXSOJKZ-RKDXNWHRSA-N 0 0 208.286 2.767 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)CCC1CCCC1 ZINC000061888586 346173616 /nfs/dbraw/zinc/17/36/16/346173616.db2.gz MPXGDBJEUJHNSU-STQMWFEESA-N 0 0 234.343 2.765 10 30 BFEERN C[C@@H]1CC(=O)N(O)[C@@H](C2CCCCC2)C1 ZINC000167234155 346218739 /nfs/dbraw/zinc/21/87/39/346218739.db2.gz UROBTFUKKTVWHY-GXSJLCMTSA-N 0 0 211.305 2.583 10 30 BFEERN C[C@@H]1CC(=O)N(O)[C@H](C2CCCCC2)C1 ZINC000167234367 346219135 /nfs/dbraw/zinc/21/91/35/346219135.db2.gz UROBTFUKKTVWHY-ONGXEEELSA-N 0 0 211.305 2.583 10 30 BFEERN O=C(C1=CCCCCCC1)[C@@H](O)C1CC1 ZINC000236519514 346247332 /nfs/dbraw/zinc/24/73/32/346247332.db2.gz IWIWZWZFHCFOFU-ZDUSSCGKSA-N 0 0 208.301 2.607 10 30 BFEERN C=CCNc1nc2ccccc2nc1Cl ZINC000034453046 346289006 /nfs/dbraw/zinc/28/90/06/346289006.db2.gz GFEDQORZBCOPQU-UHFFFAOYSA-N 0 0 219.675 2.881 10 30 BFEERN CC(C)(C)c1ccc([C@@H](O)CC#N)s1 ZINC000166295918 346671203 /nfs/dbraw/zinc/67/12/03/346671203.db2.gz MHVASSJXTXRQSE-QMMMGPOBSA-N 0 0 209.314 2.993 10 30 BFEERN CCO/C=C(\C)C(=O)C(F)(F)C(F)(F)F ZINC000206221702 346738744 /nfs/dbraw/zinc/73/87/44/346738744.db2.gz ZOVBCJZQXJNBOU-SNAWJCMRSA-N 0 0 232.148 2.693 10 30 BFEERN Cc1cccc([C@@H](C#N)NCC(F)(F)F)c1 ZINC000037970861 179178955 /nfs/dbraw/zinc/17/89/55/179178955.db2.gz PUUXSIPRSXUBTK-SNVBAGLBSA-N 0 0 228.217 2.712 10 30 BFEERN N#Cc1ccc(-c2cn3cc(C#N)ccc3n2)cc1 ZINC000039171229 347182733 /nfs/dbraw/zinc/18/27/33/347182733.db2.gz PMWZMAMMNGDNJG-UHFFFAOYSA-N 0 0 244.257 2.745 10 30 BFEERN C=C(Cl)CNC(=O)c1cnc(C)cc1Cl ZINC000167816169 347225548 /nfs/dbraw/zinc/22/55/48/347225548.db2.gz XEOVGLFDGYDXAT-UHFFFAOYSA-N 0 0 245.109 2.526 10 30 BFEERN Cc1cccc2c(CC(C#N)C#N)c[nH]c21 ZINC000039105810 179209002 /nfs/dbraw/zinc/20/90/02/179209002.db2.gz OPXWZVOWJFOGPN-UHFFFAOYSA-N 0 0 209.252 2.682 10 30 BFEERN Cc1cccc2nc(-c3ccc(C#N)cc3)c(N)n21 ZINC000104366947 179228642 /nfs/dbraw/zinc/22/86/42/179228642.db2.gz BKTQLTNDYAIABW-UHFFFAOYSA-N 0 0 248.289 2.764 10 30 BFEERN COC(=O)CC1=CC(=O)C[C@H](c2ccccc2)C1 ZINC000196105142 347483709 /nfs/dbraw/zinc/48/37/09/347483709.db2.gz OWSNBTDAKAEPJS-CYBMUJFWSA-N 0 0 244.290 2.623 10 30 BFEERN Cc1ccccc1/N=C1/NC(=O)[C@H](C(C)C)S1 ZINC000028826726 179244629 /nfs/dbraw/zinc/24/46/29/179244629.db2.gz WTDVJQRSTXJXKV-NSHDSACASA-N 0 0 248.351 2.870 10 30 in-vivo BFEERN Cc1ccccc1CN=Nc1ccc(Cl)nn1 ZINC000006566461 179245004 /nfs/dbraw/zinc/24/50/04/179245004.db2.gz QIWZZMUPNOESPA-RIYZIHGNSA-N 0 0 246.701 2.884 10 30 BFEERN COC(=O)C[C@]1([C@H]2CO2)CCCC(C)(C)C1 ZINC000675055300 537990208 /nfs/dbraw/zinc/99/02/08/537990208.db2.gz ZRDZBHURRUYZRD-ZWNOBZJWSA-N 0 0 226.316 2.535 10 30 BFEERN Cc1nnc(N[C@@H]2CCC[C@H]3C[C@H]32)c(C#N)c1C ZINC000591991345 347721034 /nfs/dbraw/zinc/72/10/34/347721034.db2.gz FIVXOJZBUBDREH-DMDPSCGWSA-N 0 0 242.326 2.566 10 30 BFEERN Cc1c(C)n(Cc2ccccc2C)c(N)c1C#N ZINC000048266023 179293678 /nfs/dbraw/zinc/29/36/78/179293678.db2.gz LESPEHNKNZQOEL-UHFFFAOYSA-N 0 0 239.322 2.916 10 30 BFEERN COc1ccc([C@@H](O)C#C[Si](C)(C)C)cc1 ZINC000196129812 347806184 /nfs/dbraw/zinc/80/61/84/347806184.db2.gz RHNOMHWPDDHIIF-ZDUSSCGKSA-N 0 0 234.371 2.609 10 30 BFEERN C[Si](C)(C)C#Cc1cc([N+](=O)[O-])ccc1F ZINC000196163105 347815473 /nfs/dbraw/zinc/81/54/73/347815473.db2.gz SMRCYJAYINPOKU-UHFFFAOYSA-N 0 0 237.306 2.963 10 30 BFEERN Cc1ccccc1Nc1ncc(N)cc1C#N ZINC000037759015 179308691 /nfs/dbraw/zinc/30/86/91/179308691.db2.gz SJGANIUVNLUQRQ-UHFFFAOYSA-N 0 0 224.267 2.588 10 30 BFEERN Cc1ccccc1Oc1ccc(/C(N)=N/O)cc1 ZINC000019866018 179314574 /nfs/dbraw/zinc/31/45/74/179314574.db2.gz FGKVLFLNTUBPMJ-UHFFFAOYSA-N 0 0 242.278 2.882 10 30 BFEERN Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000042207172 179320567 /nfs/dbraw/zinc/32/05/67/179320567.db2.gz ZWSCVOSYJDBUQN-ZYHUDNBSSA-N 0 0 202.301 2.805 10 30 BFEERN CC[C@H](C#N)C(=O)c1ccc(C)c(F)c1 ZINC000036915911 347963743 /nfs/dbraw/zinc/96/37/43/347963743.db2.gz ZOXCVWUZTTWOLR-SECBINFHSA-N 0 0 205.232 2.867 10 30 BFEERN CC[C@H](C#N)C(=O)c1cc2c(s1)CCC2 ZINC000036915857 347963789 /nfs/dbraw/zinc/96/37/89/347963789.db2.gz XVHJINRFIQJFMC-MRVPVSSYSA-N 0 0 219.309 2.969 10 30 BFEERN CSc1cccc(NC[C@H](C)C#N)c1 ZINC000036985004 347997312 /nfs/dbraw/zinc/99/73/12/347997312.db2.gz WSLLGPWUBHABGT-SECBINFHSA-N 0 0 206.314 2.980 10 30 BFEERN CCC#C[C@H](C)N[C@H](C)c1csc(C)n1 ZINC000389624504 538000113 /nfs/dbraw/zinc/00/01/13/538000113.db2.gz JWSLWWHZKKMNGO-VHSXEESVSA-N 0 0 222.357 2.904 10 30 BFEERN Cc1ccoc1C(=O)NC1(C#N)CCCCCC1 ZINC000040221669 179505992 /nfs/dbraw/zinc/50/59/92/179505992.db2.gz HAJWTVJCCAQAGJ-UHFFFAOYSA-N 0 0 246.310 2.934 10 30 BFEERN CCc1cc(OC)c(C/C(C)=N/O)cc1OC ZINC000205499230 348534319 /nfs/dbraw/zinc/53/43/19/348534319.db2.gz XOQWRHJVJAUJLF-NTEUORMPSA-N 0 0 237.299 2.659 10 30 BFEERN Cc1cc(C#N)cc(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000597145934 348670978 /nfs/dbraw/zinc/67/09/78/348670978.db2.gz DNNJBVFOIKYPCM-GJZGRUSLSA-N 0 0 242.322 2.846 10 30 BFEERN N#CCc1cccc(N[C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000597148193 348664964 /nfs/dbraw/zinc/66/49/64/348664964.db2.gz SQNDRPYZMQWWJM-HUUCEWRRSA-N 0 0 242.322 2.732 10 30 BFEERN Cc1cccc(C#Cc2cccc(N)c2)c1 ZINC000037470994 348612283 /nfs/dbraw/zinc/61/22/83/348612283.db2.gz MSCBSWGJSHPUBQ-UHFFFAOYSA-N 0 0 207.276 2.977 10 30 BFEERN N#Cc1cccc(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000596977353 348638547 /nfs/dbraw/zinc/63/85/47/348638547.db2.gz KGFYKLQCUKDNSR-KBPBESRZSA-N 0 0 228.295 2.538 10 30 BFEERN C=C(CCc1cccc(C#N)c1)C(=O)OCC ZINC000039076629 348798678 /nfs/dbraw/zinc/79/86/78/348798678.db2.gz YZXPZFLLGRNRGA-UHFFFAOYSA-N 0 0 229.279 2.610 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1cncc(Cl)c1 ZINC000598615806 349000394 /nfs/dbraw/zinc/00/03/94/349000394.db2.gz GDZGTCRPRFOPHW-CMPLNLGQSA-N 0 0 235.718 2.517 10 30 BFEERN C=CCN(C(=O)c1ccc(C)c(N)c1)C(C)C ZINC000037817739 166313135 /nfs/dbraw/zinc/31/31/35/166313135.db2.gz NQZPPXZCDUBFRM-UHFFFAOYSA-N 0 0 232.327 2.614 10 30 BFEERN Cc1csc(Oc2ccc(N)cc2C#N)n1 ZINC000042410860 179790416 /nfs/dbraw/zinc/79/04/16/179790416.db2.gz GKLNYZZRAWAYNQ-UHFFFAOYSA-N 0 0 231.280 2.698 10 30 BFEERN Cc1csc(-c2cc(CS)no2)n1 ZINC000725252372 538033062 /nfs/dbraw/zinc/03/30/62/538033062.db2.gz IVYKWUWVTLKULB-UHFFFAOYSA-N 0 0 212.299 2.536 10 30 BFEERN SCc1noc2c1[C@H]1CC[C@@H](C2)S1 ZINC000725253012 538034647 /nfs/dbraw/zinc/03/46/47/538034647.db2.gz RVUZJJBBLBBPID-YLWLKBPMSA-N 0 0 213.327 2.597 10 30 BFEERN CCc1ccc(C#C[C@@H]2CCC[C@H]2O)cc1 ZINC000616581079 349261247 /nfs/dbraw/zinc/26/12/47/349261247.db2.gz DBAMDBCBZXMBBX-LSDHHAIUSA-N 0 0 214.308 2.762 10 30 BFEERN Cc1cccc(C#C[C@H]2CCCC[C@@H]2O)c1 ZINC000616581190 349262594 /nfs/dbraw/zinc/26/25/94/349262594.db2.gz JPXKDHYQCAQDMQ-CABCVRRESA-N 0 0 214.308 2.898 10 30 BFEERN CC#CC[C@H](O)Cc1ccccc1Cl ZINC000051664873 350022551 /nfs/dbraw/zinc/02/25/51/350022551.db2.gz YWNXIEMULBZXNA-NSHDSACASA-N 0 0 208.688 2.657 10 30 BFEERN CC#CC[C@@H](O)Cc1ccccc1Cl ZINC000051664874 350022768 /nfs/dbraw/zinc/02/27/68/350022768.db2.gz YWNXIEMULBZXNA-LLVKDONJSA-N 0 0 208.688 2.657 10 30 BFEERN Cc1nc(CNc2ccc(C#N)cn2)c(C)s1 ZINC000301835091 179975461 /nfs/dbraw/zinc/97/54/61/179975461.db2.gz KXDXZUCBJWIBTR-UHFFFAOYSA-N 0 0 244.323 2.639 10 30 BFEERN O=C(C#Cc1cccs1)C#Cc1cccs1 ZINC000039171161 350113049 /nfs/dbraw/zinc/11/30/49/350113049.db2.gz RUPQHTSNRNOSFJ-UHFFFAOYSA-N 0 0 242.324 2.782 10 30 BFEERN Cc1nc(N=NCc2ccc(O)cc2)sc1C ZINC000103777276 180001423 /nfs/dbraw/zinc/00/14/23/180001423.db2.gz LJDSIKIFEDXBHV-QPEQYQDCSA-N 0 0 247.323 2.912 10 30 BFEERN Cc1nc([C@@H](C)NC[C@@H](C)C#N)c(C)s1 ZINC000054179691 180037772 /nfs/dbraw/zinc/03/77/72/180037772.db2.gz ZCOWCOKQMXNMSW-JGVFFNPUSA-N 0 0 223.345 2.570 10 30 BFEERN C=CCc1c(O)c(C)c(C)c2ccc(=O)oc21 ZINC000039477201 350117089 /nfs/dbraw/zinc/11/70/89/350117089.db2.gz CQOOEGHSEMFPQY-UHFFFAOYSA-N 0 0 230.263 2.844 10 30 BFEERN Cc1nc([C@H](C)NC[C@H](C)C#N)c(C)s1 ZINC000054179697 180048921 /nfs/dbraw/zinc/04/89/21/180048921.db2.gz ZCOWCOKQMXNMSW-SFYZADRCSA-N 0 0 223.345 2.570 10 30 BFEERN Cc1c2cccc(F)c2oc1C(=O)N[C@H](C)C#N ZINC000604543678 350144250 /nfs/dbraw/zinc/14/42/50/350144250.db2.gz XRVRMOUHARXRID-SSDOTTSWSA-N 0 0 246.241 2.522 10 30 BFEERN N#Cc1c[nH]c(-c2ccc(Cl)cc2)n1 ZINC000220020346 350156927 /nfs/dbraw/zinc/15/69/27/350156927.db2.gz MFHHIMNJGUTYFC-UHFFFAOYSA-N 0 0 203.632 2.602 10 30 BFEERN Cc1ncc(CN[C@H]2CCCC[C@H]2C#N)s1 ZINC000054826244 180158898 /nfs/dbraw/zinc/15/88/98/180158898.db2.gz PHOGDKHTOQQRJM-JQWIXIFHSA-N 0 0 235.356 2.624 10 30 BFEERN CC#CCC(=O)c1cc(C)ccc1OC ZINC000167892354 350273335 /nfs/dbraw/zinc/27/33/35/350273335.db2.gz IMDQOHOSFVKBME-UHFFFAOYSA-N 0 0 202.253 2.600 10 30 BFEERN CC[C@](C)(C#N)NC(=O)[C@@H]1CCCCC1(F)F ZINC000327942160 350364519 /nfs/dbraw/zinc/36/45/19/350364519.db2.gz XLGDLVXTULMTAY-GXSJLCMTSA-N 0 0 244.285 2.620 10 30 BFEERN Cc1nn(C)c(OC[C@@H]2CC=CC[C@@H]2C)c1C#N ZINC000104319218 180360173 /nfs/dbraw/zinc/36/01/73/180360173.db2.gz NNABCDGLRCDFED-JQWIXIFHSA-N 0 0 245.326 2.581 10 30 BFEERN Cc1nn(C)c(C)c1[C@@H](C#N)Nc1ccccc1 ZINC000037935422 180347604 /nfs/dbraw/zinc/34/76/04/180347604.db2.gz OCXGMBMMWQYITA-CYBMUJFWSA-N 0 0 240.310 2.714 10 30 BFEERN Cc1nn(C)c(N(C)c2cccc(F)c2)c1C#N ZINC000104325572 180352590 /nfs/dbraw/zinc/35/25/90/180352590.db2.gz SFDLHVMLYLMMIM-UHFFFAOYSA-N 0 0 244.273 2.507 10 30 BFEERN Cc1nn(C)c(Oc2ccc(F)cc2)c1C#N ZINC000104314985 180361534 /nfs/dbraw/zinc/36/15/34/180361534.db2.gz IFRQEJMKNBIOEK-UHFFFAOYSA-N 0 0 231.230 2.532 10 30 BFEERN C=CCc1cc(C(=O)OCC)ccc1NC(C)=O ZINC000039042837 350448744 /nfs/dbraw/zinc/44/87/44/350448744.db2.gz HKCDHAWTPVVHMR-UHFFFAOYSA-N 0 0 247.294 2.550 10 30 BFEERN CCCN(CC#N)C[C@H]1CCOc2ccccc21 ZINC000162838582 350442650 /nfs/dbraw/zinc/44/26/50/350442650.db2.gz OTTJCBSGMOASFS-CYBMUJFWSA-N 0 0 244.338 2.788 10 30 BFEERN Cc1ccncc1-c1cccc2c1ncn2CC#N ZINC000095562821 187455002 /nfs/dbraw/zinc/45/50/02/187455002.db2.gz LGIFLSIUYAIIAH-UHFFFAOYSA-N 0 0 248.289 2.930 10 30 BFEERN Cc1nnc(Sc2ccc(F)cc2C#N)o1 ZINC000104345571 187460763 /nfs/dbraw/zinc/46/07/63/187460763.db2.gz UPGYGDIBIYZLNF-UHFFFAOYSA-N 0 0 235.243 2.540 10 30 BFEERN CC(=O)N1CCCC[C@@H]1c1ccccc1C#N ZINC000616614303 350831257 /nfs/dbraw/zinc/83/12/57/350831257.db2.gz CUYQRYCNLYZCSJ-CQSZACIVSA-N 0 0 228.295 2.632 10 30 BFEERN Cc1cccc(C(=O)C2=COCC2)c1C ZINC000306727883 350898530 /nfs/dbraw/zinc/89/85/30/350898530.db2.gz MYOIBNPVPLLHOI-UHFFFAOYSA-N 0 0 202.253 2.790 10 30 BFEERN C[C@H]1C[C@H]1CN(C)c1nc(Cl)c(C#N)s1 ZINC000306734162 350903591 /nfs/dbraw/zinc/90/35/91/350903591.db2.gz UNYRIAFKZRQLGY-BQBZGAKWSA-N 0 0 241.747 2.760 10 30 BFEERN CC1CCC(C=O)([C@@H]2CCC[C@@H]2O)CC1 ZINC000306734113 350904136 /nfs/dbraw/zinc/90/41/36/350904136.db2.gz UGWRPOCYARLEOE-QBHFIFKDSA-N 0 0 210.317 2.543 10 30 BFEERN CC1CCC(C=O)([C@H]2CCC[C@H]2O)CC1 ZINC000306734112 350904231 /nfs/dbraw/zinc/90/42/31/350904231.db2.gz UGWRPOCYARLEOE-CMOBGSAGSA-N 0 0 210.317 2.543 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1nnc(C)c(C)c1C#N ZINC000231662098 351046302 /nfs/dbraw/zinc/04/63/02/351046302.db2.gz SNMRAWCWQWUYDK-PWSUYJOCSA-N 0 0 230.315 2.566 10 30 BFEERN CC(=O)N1CCC[C@@H](c2ccccc2C#N)CC1 ZINC000616627309 351107836 /nfs/dbraw/zinc/10/78/36/351107836.db2.gz HRHNGGLYJGYOOA-CYBMUJFWSA-N 0 0 242.322 2.674 10 30 BFEERN CC(=O)N1CCC[C@H](c2ccccc2C#N)CC1 ZINC000616627577 351095758 /nfs/dbraw/zinc/09/57/58/351095758.db2.gz HRHNGGLYJGYOOA-ZDUSSCGKSA-N 0 0 242.322 2.674 10 30 BFEERN C=C(Cl)CNc1cc(F)cc([N+](=O)[O-])c1 ZINC000168009844 351251032 /nfs/dbraw/zinc/25/10/32/351251032.db2.gz JUAQYILPRBEYNM-UHFFFAOYSA-N 0 0 230.626 2.898 10 30 BFEERN CC(=O)/C(C)=C/c1ccc(Br)cn1 ZINC000231745739 351288596 /nfs/dbraw/zinc/28/85/96/351288596.db2.gz KXIAHORGKJFJEH-FNORWQNLSA-N 0 0 240.100 2.836 10 30 BFEERN C[C@]1([C@@H]2CC[C@H](CC#N)O2)CCCS1 ZINC000306884390 351289883 /nfs/dbraw/zinc/28/98/83/351289883.db2.gz MAWGAWHDNUBQLK-OUAUKWLOSA-N 0 0 211.330 2.733 10 30 BFEERN C=C[C@@H](NN)c1ccc2sccc2c1 ZINC000306878854 351271894 /nfs/dbraw/zinc/27/18/94/351271894.db2.gz IXKXTTWOSFVYCD-SNVBAGLBSA-N 0 0 204.298 2.592 10 30 BFEERN O=C(c1sccc1Cl)C1=CCCO1 ZINC000168356029 351388646 /nfs/dbraw/zinc/38/86/46/351388646.db2.gz IBAJQBVJUFDJFZ-UHFFFAOYSA-N 0 0 214.673 2.888 10 30 BFEERN N#CCCOc1ccc(C(F)(F)F)cc1 ZINC000034937007 351351363 /nfs/dbraw/zinc/35/13/63/351351363.db2.gz DPBIRGYLANCZTN-UHFFFAOYSA-N 0 0 215.174 2.998 10 30 BFEERN CC#CCOc1ccnc(Br)c1C ZINC000307023559 351427306 /nfs/dbraw/zinc/42/73/06/351427306.db2.gz GENYQCVODXGMQS-UHFFFAOYSA-N 0 0 240.100 2.555 10 30 BFEERN CC[C@@H](C)N(Cc1ccccc1)C(=O)CS ZINC000307026664 351435473 /nfs/dbraw/zinc/43/54/73/351435473.db2.gz YQTNMTYZKRQWOX-LLVKDONJSA-N 0 0 237.368 2.744 10 30 BFEERN C#CCNc1c(C)cc(Br)cc1F ZINC000307058244 351456567 /nfs/dbraw/zinc/45/65/67/351456567.db2.gz AZVCDUKGAIENHK-UHFFFAOYSA-N 0 0 242.091 2.942 10 30 BFEERN C[C@@H]1Cc2nc(Cl)c(C#N)cc2[C@H](C)O1 ZINC000133627117 351413457 /nfs/dbraw/zinc/41/34/57/351413457.db2.gz HVIKXUNMVPSDOU-RQJHMYQMSA-N 0 0 222.675 2.629 10 30 BFEERN C=C(Cl)CNc1c(Cl)nsc1C#N ZINC000307136120 351494052 /nfs/dbraw/zinc/49/40/52/351494052.db2.gz SVFSRGOSYODWEF-UHFFFAOYSA-N 0 0 234.111 2.833 10 30 BFEERN CC(C)(C=O)Oc1ccc(C#N)cc1Cl ZINC000307144055 351501860 /nfs/dbraw/zinc/50/18/60/351501860.db2.gz FSOJWJFUJDZZCF-UHFFFAOYSA-N 0 0 223.659 2.568 10 30 BFEERN Cc1ccc([C@H]2CC[C@@H](C=O)O2)cc1C ZINC000307163868 351529619 /nfs/dbraw/zinc/52/96/19/351529619.db2.gz MDKDGAYLMXAXJK-QWHCGFSZSA-N 0 0 204.269 2.722 10 30 BFEERN C#C[C@H](Nc1ncc(Cl)cc1F)C(C)C ZINC000300865010 363074859 /nfs/dbraw/zinc/07/48/59/363074859.db2.gz GWTQTJDGOKVBOO-JTQLQIEISA-N 0 0 226.682 2.944 10 30 BFEERN CO[C@](C)(C#N)c1c(F)cccc1Cl ZINC000307183369 351580529 /nfs/dbraw/zinc/58/05/29/351580529.db2.gz XPXLPHJLNJHBHX-SNVBAGLBSA-N 0 0 213.639 2.864 10 30 BFEERN O=C[C@@H]1CC[C@@H](c2c(F)cccc2Cl)O1 ZINC000307206665 351609918 /nfs/dbraw/zinc/60/99/18/351609918.db2.gz HSYQWHQOVYEEBG-XVKPBYJWSA-N 0 0 228.650 2.898 10 30 BFEERN C#Cc1ccc(OCC2CC(CC)C2)nc1 ZINC000606302534 351553589 /nfs/dbraw/zinc/55/35/89/351553589.db2.gz OPHWBSSEZUINCM-UHFFFAOYSA-N 0 0 215.296 2.878 10 30 BFEERN C#Cc1ccc(Oc2ccccc2F)nc1 ZINC000606302763 351558617 /nfs/dbraw/zinc/55/86/17/351558617.db2.gz VQHPHNUHNVVEJD-UHFFFAOYSA-N 0 0 213.211 2.994 10 30 BFEERN CCCCCCC[C@H](O)CC(=O)OCC ZINC000002581381 168657613 /nfs/dbraw/zinc/65/76/13/168657613.db2.gz NOAJFMNAQIUPEX-NSHDSACASA-N 0 0 216.321 2.661 10 30 BFEERN CC(=O)[C@@](C)(C#N)CC1CC(F)(F)C1 ZINC000307236685 351723643 /nfs/dbraw/zinc/72/36/43/351723643.db2.gz GHQXTHPWTSUBAD-SECBINFHSA-N 0 0 201.216 2.541 10 30 BFEERN COc1cccc(C#Cc2csc(F)n2)c1 ZINC000066080361 187497578 /nfs/dbraw/zinc/49/75/78/187497578.db2.gz VREUDDBRHQFAEQ-UHFFFAOYSA-N 0 0 233.267 2.691 10 30 BFEERN C=CCN[C@H](C(=O)OCC)c1ccc(CC)cc1 ZINC000051961896 187532037 /nfs/dbraw/zinc/53/20/37/187532037.db2.gz FFYFLQJWCBGCQV-AWEZNQCLSA-N 0 0 247.338 2.629 10 30 BFEERN N#CCNc1cc(F)c(Br)cc1F ZINC000232165562 352001764 /nfs/dbraw/zinc/00/17/64/352001764.db2.gz PQLFKDDGNKYNON-UHFFFAOYSA-N 0 0 247.042 2.663 10 30 BFEERN O=C[C@@H]1CC[C@@H](c2ccc(Cl)s2)O1 ZINC000307335968 352052864 /nfs/dbraw/zinc/05/28/64/352052864.db2.gz NGMAYNAAGPFZKU-BQBZGAKWSA-N 0 0 216.689 2.821 10 30 BFEERN CC=CC(=O)c1nscc1Br ZINC000404764260 352093200 /nfs/dbraw/zinc/09/32/00/352093200.db2.gz LFUXBQDMALAJMN-UHFFFAOYSA-N 0 0 232.102 2.664 10 30 BFEERN COC(=O)c1cc(C#N)cc(C(C)(C)C)c1 ZINC000044699964 352381132 /nfs/dbraw/zinc/38/11/32/352381132.db2.gz DSRARMMVRWKOLG-UHFFFAOYSA-N 0 0 217.268 2.642 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@]12CCC[C@H]2CC ZINC000252953709 538103829 /nfs/dbraw/zinc/10/38/29/538103829.db2.gz QGTCHHGAUIOKAO-WXHSDQCUSA-N 0 0 226.316 2.677 10 30 BFEERN Cn1ccnc1S[C@@H]1CCCCC[C@@H]1C#N ZINC000037154214 180754499 /nfs/dbraw/zinc/75/44/99/180754499.db2.gz UYLBWYBTPBMRAF-GHMZBOCLSA-N 0 0 235.356 2.985 10 30 BFEERN Cc1cccc(C(=O)C2=COCCC2)c1 ZINC000160006920 352557290 /nfs/dbraw/zinc/55/72/90/352557290.db2.gz IUBKDYKLIOTIFF-UHFFFAOYSA-N 0 0 202.253 2.872 10 30 BFEERN C=C(C)[C@@H]1CC2=C(O1)C(=O)c1ccccc1C2=O ZINC000005601362 187741507 /nfs/dbraw/zinc/74/15/07/187741507.db2.gz ZDMOREUAQLXRCQ-LBPRGKRZSA-N 0 0 240.258 2.685 10 30 BFEERN O=C[C@H]1CC[C@@H](c2ccc(Cl)cc2)O1 ZINC000307477444 352618351 /nfs/dbraw/zinc/61/83/51/352618351.db2.gz DFIUWNVXPGTQTE-MNOVXSKESA-N 0 0 210.660 2.759 10 30 BFEERN CSc1ccc(C(=O)C2=COCC2)cc1 ZINC000307400381 352571488 /nfs/dbraw/zinc/57/14/88/352571488.db2.gz CLGGJSONPNHMDT-UHFFFAOYSA-N 0 0 220.293 2.895 10 30 BFEERN Cc1ccsc1[C@H]1CC[C@@](C)(C=O)O1 ZINC000307407991 352582106 /nfs/dbraw/zinc/58/21/06/352582106.db2.gz FQSALFQLZACSAL-KOLCDFICSA-N 0 0 210.298 2.866 10 30 BFEERN Cc1ccc(Cl)c(NC(=O)[C@H](C)S)c1 ZINC000232254111 352583987 /nfs/dbraw/zinc/58/39/87/352583987.db2.gz HCUQINAHMXLABO-ZETCQYMHSA-N 0 0 229.732 2.905 10 30 BFEERN C[C@@H]1CCC[C@@]1(C=O)Cc1ccccn1 ZINC000307569115 352657757 /nfs/dbraw/zinc/65/77/57/352657757.db2.gz VLOIBPBUXVLSIE-YPMHNXCESA-N 0 0 203.285 2.629 10 30 BFEERN N#Cc1cccc([C@H](C#N)N2CCCCCC2)c1 ZINC000038086158 187772621 /nfs/dbraw/zinc/77/26/21/187772621.db2.gz BVRIUGMONAMWOF-HNNXBMFYSA-N 0 0 239.322 2.999 10 30 BFEERN O=CC[C@@H](O)c1cc(Cl)sc1Cl ZINC000307601068 352667198 /nfs/dbraw/zinc/66/71/98/352667198.db2.gz UIMQNTUKNOKVQA-RXMQYKEDSA-N 0 0 225.096 2.677 10 30 BFEERN CC[C@H]1CC[C@](C#N)(c2ncns2)C1 ZINC000307515619 352632382 /nfs/dbraw/zinc/63/23/82/352632382.db2.gz FHECPDMAMVIGNJ-WPRPVWTQSA-N 0 0 207.302 2.510 10 30 BFEERN N#Cc1ccc(Cl)c(C(F)(F)F)n1 ZINC000307519099 352633480 /nfs/dbraw/zinc/63/34/80/352633480.db2.gz VWLMAAUFRXIFTQ-UHFFFAOYSA-N 0 0 206.554 2.625 10 30 BFEERN Cc1c(Br)cc(Cl)nc1C#N ZINC000095774463 187801446 /nfs/dbraw/zinc/80/14/46/187801446.db2.gz FGTFSYZEMGRPAE-UHFFFAOYSA-N 0 0 231.480 2.678 10 30 BFEERN C[C@@]1(c2ccsc2)CCC[C@H](C=O)O1 ZINC000307648037 352738080 /nfs/dbraw/zinc/73/80/80/352738080.db2.gz FZYIEPOLROXRLZ-MNOVXSKESA-N 0 0 210.298 2.731 10 30 BFEERN Cn1nc(CS)cc1-c1cccs1 ZINC000057939117 180806077 /nfs/dbraw/zinc/80/60/77/180806077.db2.gz MICGIORPOWSLDT-UHFFFAOYSA-N 0 0 210.327 2.578 10 30 BFEERN CC(C)CN=Nc1cc(Br)ccn1 ZINC000307685561 352843570 /nfs/dbraw/zinc/84/35/70/352843570.db2.gz ZFBTYOVTRJZVAQ-WUXMJOGZSA-N 0 0 242.120 2.898 10 30 BFEERN CC[C@H](S)C(=O)Nc1ccccc1Cl ZINC000307695276 352971537 /nfs/dbraw/zinc/97/15/37/352971537.db2.gz JDVJNBKOESMTCB-VIFPVBQESA-N 0 0 229.732 2.987 10 30 BFEERN Cc1cnc(C2(C#N)CC2)c(Br)c1 ZINC000306172836 352987510 /nfs/dbraw/zinc/98/75/10/352987510.db2.gz TYDIVDKYGVSRCS-UHFFFAOYSA-N 0 0 237.100 2.708 10 30 BFEERN C=C(Cl)CN(C)c1nc(C)cs1 ZINC000306481179 353018692 /nfs/dbraw/zinc/01/86/92/353018692.db2.gz GJDCFCQFKGDTCC-UHFFFAOYSA-N 0 0 202.710 2.640 10 30 BFEERN Cc1cccc(Br)c1C(=O)CC#N ZINC000306665454 353033098 /nfs/dbraw/zinc/03/30/98/353033098.db2.gz YETFUNMOBZIIJH-UHFFFAOYSA-N 0 0 238.084 2.854 10 30 BFEERN CCOC(=O)[C@H]1O[C@]1(C)CCC(C)(C)C ZINC000308902735 538107536 /nfs/dbraw/zinc/10/75/36/538107536.db2.gz CLONSEXEJLHXHK-BXKDBHETSA-N 0 0 214.305 2.533 10 30 BFEERN C=C(CC)C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000336751879 353070763 /nfs/dbraw/zinc/07/07/63/353070763.db2.gz COXCEZYSQXFESK-CYBMUJFWSA-N 0 0 239.746 2.929 10 30 BFEERN C=CC(=O)Cc1ccsc1Br ZINC000306772749 353037759 /nfs/dbraw/zinc/03/77/59/353037759.db2.gz SSIMNUSNTVALNT-UHFFFAOYSA-N 0 0 231.114 2.808 10 30 BFEERN N#Cc1cc(Br)cc(NCCF)c1 ZINC000307704770 353051972 /nfs/dbraw/zinc/05/19/72/353051972.db2.gz UCYGFCHAIASVFZ-UHFFFAOYSA-N 0 0 243.079 2.702 10 30 BFEERN N#CCc1ccc(F)c(C(F)F)c1F ZINC000307076326 353053491 /nfs/dbraw/zinc/05/34/91/353053491.db2.gz LEKJBVXQQOSNDV-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN C=C[C@@H](C)Nc1cc(Br)nc(C)n1 ZINC000229320897 353110517 /nfs/dbraw/zinc/11/05/17/353110517.db2.gz MPOMHJAOIYJXDD-ZCFIWIBFSA-N 0 0 242.120 2.534 10 30 BFEERN N#CC[C@H]1CCC[C@H](c2nccs2)O1 ZINC000307709383 353102488 /nfs/dbraw/zinc/10/24/88/353102488.db2.gz MANOZJOIPVBYKF-RKDXNWHRSA-N 0 0 208.286 2.667 10 30 BFEERN Cc1ccccc1[C@@H]1CCC[C@@H](C=O)O1 ZINC000307750728 353126255 /nfs/dbraw/zinc/12/62/55/353126255.db2.gz KXRIAQQROLKYGW-AAEUAGOBSA-N 0 0 204.269 2.804 10 30 BFEERN C=C(C)CNc1cncc(Br)c1 ZINC000229341889 353131316 /nfs/dbraw/zinc/13/13/16/353131316.db2.gz HCLHTXJYVPPNQN-UHFFFAOYSA-N 0 0 227.105 2.832 10 30 BFEERN C=CCOc1ccc(CNc2cn[nH]c2)cc1 ZINC000035763682 188060825 /nfs/dbraw/zinc/06/08/25/188060825.db2.gz TUXORZFTIAFSDL-UHFFFAOYSA-N 0 0 229.283 2.587 10 30 BFEERN CC#CCN1CCC[C@H]1c1csc(C)n1 ZINC000189793975 188080733 /nfs/dbraw/zinc/08/07/33/188080733.db2.gz GIBLJOIUCSEGIO-LBPRGKRZSA-N 0 0 220.341 2.612 10 30 BFEERN C/C=C/C(=O)C1=C(C)C[C@@H](O)CC1(C)C ZINC000005132733 188081482 /nfs/dbraw/zinc/08/14/82/188081482.db2.gz UPRXEFYRIACHQZ-BRAIEQGRSA-N 0 0 208.301 2.629 10 30 endogenous,in-man BFEERN N#CCCn1ccc(=O)c2cc(Cl)ccc21 ZINC000045923759 188085390 /nfs/dbraw/zinc/08/53/90/188085390.db2.gz WVWYROPCEHSXFP-UHFFFAOYSA-N 0 0 232.670 2.569 10 30 BFEERN C[C@H]1C[C@H]1NC(=O)Nc1cnc2c(c1)CCCC2 ZINC000329465196 538109022 /nfs/dbraw/zinc/10/90/22/538109022.db2.gz RGUWGCNYIQSUNV-TVQRCGJNSA-N 0 0 245.326 2.504 10 30 BFEERN CNC(=S)NN=C(C)c1ccc(C)c(C)c1 ZINC000008692051 188104063 /nfs/dbraw/zinc/10/40/63/188104063.db2.gz DIEHCOWDEVGPAM-GXDHUFHOSA-N 0 0 235.356 2.533 10 30 BFEERN CC(Cl)c1nc2ccccc2c(=O)n1CC#N ZINC000009338526 188104276 /nfs/dbraw/zinc/10/42/76/188104276.db2.gz QTXDGRXYZBEQMB-DHZHZOJOSA-N 0 0 247.685 2.506 10 30 BFEERN CC(C)(C)c1ccccc1OCC[C@@H](N)C#N ZINC000019666602 188107810 /nfs/dbraw/zinc/10/78/10/188107810.db2.gz NFWCUJNOCUEKIP-LLVKDONJSA-N 0 0 232.327 2.604 10 30 BFEERN N#CCc1ccc(Oc2ccc(C#N)cn2)cc1 ZINC000019518492 188108028 /nfs/dbraw/zinc/10/80/28/188108028.db2.gz SZCOLIDTTYSJEQ-UHFFFAOYSA-N 0 0 235.246 2.812 10 30 BFEERN Cc1nc2[nH]ccc2c(Nc2ccc(C#N)cc2)n1 ZINC000027896172 188109720 /nfs/dbraw/zinc/10/97/20/188109720.db2.gz TVPPTSGBUKFKIR-UHFFFAOYSA-N 0 0 249.277 2.882 10 30 BFEERN C=C1C(=O)O[C@@H]2C[C@H](C)C(/C=C/C(C)=O)=CC[C@H]12 ZINC000038264323 188117494 /nfs/dbraw/zinc/11/74/94/188117494.db2.gz RBRPTFMVULVGIC-MDKNCZOUSA-N 0 0 246.306 2.586 10 30 BFEERN N#CCc1n[nH]c2cccc(C(F)(F)F)c21 ZINC000089195783 188144721 /nfs/dbraw/zinc/14/47/21/188144721.db2.gz JBIGBCWKWGSBSG-UHFFFAOYSA-N 0 0 225.173 2.648 10 30 BFEERN CC(C)[C@H](C#N)C(=O)NC1CCCCCC1 ZINC000044814672 188123910 /nfs/dbraw/zinc/12/39/10/188123910.db2.gz ZMPUJRLUJIJOFM-LBPRGKRZSA-N 0 0 222.332 2.621 10 30 BFEERN Cc1cccc(C)c1NC(=O)C(C)(C)C#N ZINC000044752455 188124046 /nfs/dbraw/zinc/12/40/46/188124046.db2.gz OIXKPGMZARAUEO-UHFFFAOYSA-N 0 0 216.284 2.792 10 30 BFEERN N#CC(C#N)Cc1ccc(Br)cc1 ZINC000049827071 188125239 /nfs/dbraw/zinc/12/52/39/188125239.db2.gz ZYGNUIZSPVENNJ-UHFFFAOYSA-N 0 0 235.084 2.655 10 30 BFEERN N#CCCCCn1cc(-c2ccc(N)cc2)cn1 ZINC000071415103 188130780 /nfs/dbraw/zinc/13/07/80/188130780.db2.gz WDZUTIOTOQNWPI-UHFFFAOYSA-N 0 0 240.310 2.826 10 30 BFEERN C=C(Cl)CSc1ccncc1N ZINC000037190286 188151572 /nfs/dbraw/zinc/15/15/72/188151572.db2.gz VTIHVMNGQKTAMD-UHFFFAOYSA-N 0 0 200.694 2.508 10 30 BFEERN CCCc1cc(C#N)cc(Br)n1 ZINC000082292235 188173214 /nfs/dbraw/zinc/17/32/14/188173214.db2.gz RHZXPKAJFHESHD-UHFFFAOYSA-N 0 0 225.089 2.668 10 30 BFEERN C#CCNc1nc2cc(C)ccc2s1 ZINC000045236619 188217112 /nfs/dbraw/zinc/21/71/12/188217112.db2.gz QXVOZFBNJHPTOE-UHFFFAOYSA-N 0 0 202.282 2.650 10 30 BFEERN CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC[C@@H]1CO1)C2 ZINC000100262636 188223879 /nfs/dbraw/zinc/22/38/79/188223879.db2.gz OJBHYQHZQDEUEM-XNBLIRIOSA-N 0 0 223.316 2.604 10 30 BFEERN C#C[C@H](C)Nc1ncc(C)cc1Br ZINC000163478296 353352520 /nfs/dbraw/zinc/35/25/20/353352520.db2.gz WDNDEZILFUUQIE-QMMMGPOBSA-N 0 0 239.116 2.586 10 30 BFEERN C=CCNC(=O)N[C@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182412821 353475540 /nfs/dbraw/zinc/47/55/40/353475540.db2.gz WDDHMSQOYYHSTH-SMDDNHRTSA-N 0 0 244.338 2.714 10 30 BFEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C#N)c(F)c1 ZINC000094239600 353510552 /nfs/dbraw/zinc/51/05/52/353510552.db2.gz BCCRCERYQJMTTK-GXFFZTMASA-N 0 0 246.285 2.556 10 30 BFEERN Cc1cc(C)cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061889107 353543060 /nfs/dbraw/zinc/54/30/60/353543060.db2.gz QONFTDILMBGLFO-TZMCWYRMSA-N 0 0 242.322 2.726 10 30 BFEERN CC(C)(C=O)c1cccc(Br)c1 ZINC000039476394 188474174 /nfs/dbraw/zinc/47/41/74/188474174.db2.gz XVLZFTUUEGICTB-UHFFFAOYSA-N 0 0 227.101 2.926 10 30 BFEERN CC(C)N(CC(F)(F)F)c1cc(C#N)ccn1 ZINC000042780627 188477765 /nfs/dbraw/zinc/47/77/65/188477765.db2.gz YTUPDKFOGGTYIN-UHFFFAOYSA-N 0 0 243.232 2.730 10 30 BFEERN C=CCOc1c(C)cc(Br)cc1N ZINC000066140722 353781092 /nfs/dbraw/zinc/78/10/92/353781092.db2.gz ZYXGBOGFWPVNDL-UHFFFAOYSA-N 0 0 242.116 2.905 10 30 BFEERN CC(C)=CCNc1cc(C)nc(C)c1C#N ZINC000232636653 353747223 /nfs/dbraw/zinc/74/72/23/353747223.db2.gz IIXQBTWAUKQQSS-UHFFFAOYSA-N 0 0 215.300 2.948 10 30 BFEERN N#CC1(NCC(F)(F)F)CCCCCC1 ZINC000037970986 181030499 /nfs/dbraw/zinc/03/04/99/181030499.db2.gz PCLLHDWGYNQWOE-UHFFFAOYSA-N 0 0 220.238 2.755 10 30 BFEERN N#CC1(Nc2ccccc2Cl)CCOCC1 ZINC000037938339 181030740 /nfs/dbraw/zinc/03/07/40/181030740.db2.gz OVPPVQXGJUYKKY-UHFFFAOYSA-N 0 0 236.702 2.825 10 30 BFEERN N#CCNc1ccccc1SC(F)F ZINC000020044148 181043209 /nfs/dbraw/zinc/04/32/09/181043209.db2.gz PUQCQVIHYUWSJS-UHFFFAOYSA-N 0 0 214.240 2.937 10 30 BFEERN N#CCOc1cccc(NCc2ccc[nH]2)c1 ZINC000051788748 181044147 /nfs/dbraw/zinc/04/41/47/181044147.db2.gz QXGGFXJJFGCMLO-UHFFFAOYSA-N 0 0 227.267 2.529 10 30 BFEERN N#CC[C@H](NC1CCC1)c1ccccc1 ZINC000055019221 181045940 /nfs/dbraw/zinc/04/59/40/181045940.db2.gz DJFZFXABBVSRAH-ZDUSSCGKSA-N 0 0 200.285 2.783 10 30 BFEERN N#Cc1cncc2cc(Br)sc21 ZINC000082328878 188533002 /nfs/dbraw/zinc/53/30/02/188533002.db2.gz VRZWALUYGFYKKC-UHFFFAOYSA-N 0 0 239.097 2.930 10 30 BFEERN N#CCc1c[nH]c2c1c(F)c(F)c(F)c2F ZINC000001495936 181047008 /nfs/dbraw/zinc/04/70/08/181047008.db2.gz UHVBBQZESSEQNC-UHFFFAOYSA-N 0 0 228.148 2.790 10 30 BFEERN N#CCc1nc2c(s1)CCCCCC2 ZINC000019480947 181050063 /nfs/dbraw/zinc/05/00/63/181050063.db2.gz DHBPRPLPTXIEDI-UHFFFAOYSA-N 0 0 206.314 2.868 10 30 BFEERN N#C[C@@H](Nc1ccccc1)c1ccc(O)c(O)c1 ZINC000037935232 181057533 /nfs/dbraw/zinc/05/75/33/181057533.db2.gz NCDZIRJYPMBQRV-GFCCVEGCSA-N 0 0 240.262 2.775 10 30 BFEERN N#C[C@@H](N)CCSc1nc2ccccc2s1 ZINC000062452689 181055274 /nfs/dbraw/zinc/05/52/74/181055274.db2.gz HELVSEGHZVNWIS-QMMMGPOBSA-N 0 0 249.364 2.629 10 30 BFEERN N#C[C@@H](Nc1ccc(F)cc1)c1cccnc1 ZINC000037935858 181057437 /nfs/dbraw/zinc/05/74/37/181057437.db2.gz WJUBWAREDRMDCY-CYBMUJFWSA-N 0 0 227.242 2.897 10 30 BFEERN N#C[C@H](NCC(F)(F)F)c1cccc(F)c1 ZINC000037970852 181065612 /nfs/dbraw/zinc/06/56/12/181065612.db2.gz GMMOMPDXAJGPBW-VIFPVBQESA-N 0 0 232.180 2.542 10 30 BFEERN N#C[C@@H](c1ccc(F)cc1)c1ccccn1 ZINC000032012671 181057883 /nfs/dbraw/zinc/05/78/83/181057883.db2.gz JZKCOKBJEDCZGK-LBPRGKRZSA-N 0 0 212.227 2.876 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1ccsc1 ZINC000061891136 181061079 /nfs/dbraw/zinc/06/10/79/181061079.db2.gz LMRKSZNLDYZBMA-WDEREUQCSA-N 0 0 206.314 2.530 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1cccc(F)c1F ZINC000104241321 181061152 /nfs/dbraw/zinc/06/11/52/181061152.db2.gz AJPBSGACZZJXAL-JOYOIKCWSA-N 0 0 236.265 2.747 10 30 BFEERN N#C[C@@]1(Nc2ccccc2)CCCSC1 ZINC000061590337 181062493 /nfs/dbraw/zinc/06/24/93/181062493.db2.gz WEARTQGVIDKQRT-LBPRGKRZSA-N 0 0 218.325 2.888 10 30 BFEERN N#C[C@@]1(Nc2cccc(F)c2)CCSC1 ZINC000037936943 181062884 /nfs/dbraw/zinc/06/28/84/181062884.db2.gz MMVZFFSGXOYLSQ-NSHDSACASA-N 0 0 222.288 2.637 10 30 BFEERN N#C[C@]1(c2ccc(Cl)cc2)CCOC1 ZINC000087493418 181071565 /nfs/dbraw/zinc/07/15/65/181071565.db2.gz OWPDMALZXSUTKT-LLVKDONJSA-N 0 0 207.660 2.522 10 30 BFEERN N#Cc1c(Cl)nc2ccc(Cl)cn12 ZINC000021948946 181073820 /nfs/dbraw/zinc/07/38/20/181073820.db2.gz NUNZLCUTXKOANJ-UHFFFAOYSA-N 0 0 212.039 2.513 10 30 BFEERN N#C[C@H]1CCC[C@@H]1Nc1ccc(F)cc1 ZINC000054824000 181068475 /nfs/dbraw/zinc/06/84/75/181068475.db2.gz VDROMUIJFUBKJK-SKDRFNHKSA-N 0 0 204.248 2.930 10 30 BFEERN C[C@H]1C[C@H]1Nc1nc2c(cc1C#N)CCCC2 ZINC000052290831 188577541 /nfs/dbraw/zinc/57/75/41/188577541.db2.gz APXVPGWSHWEXOI-TVQRCGJNSA-N 0 0 227.311 2.652 10 30 BFEERN N#Cc1cc(-c2cncc(O)c2)ccc1Cl ZINC000065339337 181081884 /nfs/dbraw/zinc/08/18/84/181081884.db2.gz OLYZATHUWQZVGS-UHFFFAOYSA-N 0 0 230.654 2.979 10 30 BFEERN N#Cc1c(F)cccc1N[C@H]1CCC[C@H]1C#N ZINC000054825344 181075679 /nfs/dbraw/zinc/07/56/79/181075679.db2.gz YMMWNNVTMCWOOL-CABZTGNLSA-N 0 0 229.258 2.802 10 30 BFEERN N#Cc1c(F)cccc1Oc1ccc(Cl)nn1 ZINC000038082425 181077675 /nfs/dbraw/zinc/07/76/75/181077675.db2.gz TXASLJAYLLNMJE-UHFFFAOYSA-N 0 0 249.632 2.933 10 30 BFEERN N#Cc1cc(-c2cc(F)ccc2O)ccc1O ZINC000065341376 181080397 /nfs/dbraw/zinc/08/03/97/181080397.db2.gz LZGASDXVPFZXOS-UHFFFAOYSA-N 0 0 229.210 2.776 10 30 BFEERN N#Cc1cc(C(F)(F)F)c(C(F)(F)F)cn1 ZINC000096308594 181085046 /nfs/dbraw/zinc/08/50/46/181085046.db2.gz BAGFZSAWDUBFMV-UHFFFAOYSA-N 0 0 240.106 2.991 10 30 BFEERN N#Cc1cc2cc(Cl)cc(Cl)c2[nH]c1=O ZINC000011956485 181094025 /nfs/dbraw/zinc/09/40/25/181094025.db2.gz MVNPQVSVLLECTO-UHFFFAOYSA-N 0 0 239.061 2.707 10 30 BFEERN N#Cc1ccc(-c2cc(O)cc(F)c2)cc1O ZINC000065341371 181094919 /nfs/dbraw/zinc/09/49/19/181094919.db2.gz ZJWKBOJPGPXHGN-UHFFFAOYSA-N 0 0 229.210 2.776 10 30 BFEERN N#Cc1ccc(-c2cccc(O)c2)cc1O ZINC000065341291 181095104 /nfs/dbraw/zinc/09/51/04/181095104.db2.gz OFWGYNSGKLVKNP-UHFFFAOYSA-N 0 0 211.220 2.636 10 30 BFEERN N#Cc1cc(N)cnc1NCC1CCCCC1 ZINC000037759067 181089264 /nfs/dbraw/zinc/08/92/64/181089264.db2.gz SZHPQEKCHKYGHP-UHFFFAOYSA-N 0 0 230.315 2.528 10 30 BFEERN N#Cc1cc(=O)c2cccc(Br)c2[nH]1 ZINC000062623508 181091901 /nfs/dbraw/zinc/09/19/01/181091901.db2.gz URUHNXRUQROTAO-UHFFFAOYSA-N 0 0 249.067 2.575 10 30 BFEERN N#Cc1ccc(Br)c2[nH]ccc21 ZINC000089204647 181097330 /nfs/dbraw/zinc/09/73/30/181097330.db2.gz SXFQLUABASHALO-UHFFFAOYSA-N 0 0 221.057 2.802 10 30 BFEERN N#Cc1ccc(CN2CCc3cc(N)ccc32)cc1 ZINC000019875034 181105463 /nfs/dbraw/zinc/10/54/63/181105463.db2.gz GZMNTUPIXURMQR-UHFFFAOYSA-N 0 0 249.317 2.703 10 30 BFEERN N#Cc1ccc(N2CCCCCCC2)c(N)c1 ZINC000035674267 181115729 /nfs/dbraw/zinc/11/57/29/181115729.db2.gz KUFMBYGIGSTIKW-UHFFFAOYSA-N 0 0 229.327 2.911 10 30 BFEERN N#Cc1ccc(NCc2cccc(O)c2O)cc1 ZINC000041116413 181124021 /nfs/dbraw/zinc/12/40/21/181124021.db2.gz UIIXZQDTFAKHKV-UHFFFAOYSA-N 0 0 240.262 2.582 10 30 BFEERN N#Cc1ccc(N[C@@H]2CCC[C@@H]2O)cc1Cl ZINC000037690093 181124361 /nfs/dbraw/zinc/12/43/61/181124361.db2.gz XRRPJQOTCZCFOR-NEPJUHHUSA-N 0 0 236.702 2.537 10 30 BFEERN N#Cc1ccc(N[C@H]2CCC[C@H]2O)cc1Cl ZINC000037690096 181126167 /nfs/dbraw/zinc/12/61/67/181126167.db2.gz XRRPJQOTCZCFOR-NWDGAFQWSA-N 0 0 236.702 2.537 10 30 BFEERN N#Cc1ccc2c(c1)CCC=C2n1ccnc1 ZINC000013827131 181132509 /nfs/dbraw/zinc/13/25/09/181132509.db2.gz WMFHHZOZJZSADW-UHFFFAOYSA-N 0 0 221.263 2.590 10 30 BFEERN N#Cc1ccc([C@H](C#N)NC2CCCC2)cc1 ZINC000037968472 181129681 /nfs/dbraw/zinc/12/96/81/181129681.db2.gz BMSLFQPCCYUNNP-AWEZNQCLSA-N 0 0 225.295 2.655 10 30 BFEERN N#Cc1ccc(Sc2nncs2)cc1 ZINC000019867990 181130215 /nfs/dbraw/zinc/13/02/15/181130215.db2.gz GRXOMNBQEUNPSU-UHFFFAOYSA-N 0 0 219.294 2.561 10 30 BFEERN N#Cc1cccc(N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000054823951 181142105 /nfs/dbraw/zinc/14/21/05/181142105.db2.gz QUPAUANOWCOLAM-DGCLKSJQSA-N 0 0 211.268 2.662 10 30 BFEERN N#Cc1cccc(OCc2ccccc2N)c1 ZINC000019273501 181143397 /nfs/dbraw/zinc/14/33/97/181143397.db2.gz ATTZNHFFSHZBPH-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN N#Cc1ccccc1COc1cccc(N)c1 ZINC000019272639 181146883 /nfs/dbraw/zinc/14/68/83/181146883.db2.gz WARREBRNIRCSKH-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN N#Cc1ccccc1CSc1ncccc1N ZINC000037190416 181147310 /nfs/dbraw/zinc/14/73/10/181147310.db2.gz SKZFLSQTTXKJPP-UHFFFAOYSA-N 0 0 241.319 2.828 10 30 BFEERN N#Cc1ccccc1NC[C@H](O)c1cccs1 ZINC000037879040 181147739 /nfs/dbraw/zinc/14/77/39/181147739.db2.gz RCVMGQUNCZYSPN-LBPRGKRZSA-N 0 0 244.319 2.765 10 30 BFEERN N#Cc1ccccc1NCCc1ccccn1 ZINC000020077312 181147824 /nfs/dbraw/zinc/14/78/24/181147824.db2.gz VFZWETADLZZBJD-UHFFFAOYSA-N 0 0 223.279 2.608 10 30 BFEERN N#Cc1ccccc1NCc1cccc(CO)c1 ZINC000071354678 181149346 /nfs/dbraw/zinc/14/93/46/181149346.db2.gz HUFFOXXFAASWBS-UHFFFAOYSA-N 0 0 238.290 2.663 10 30 BFEERN N#Cc1ccccc1Nc1ncc(N)cc1Cl ZINC000082552084 181149496 /nfs/dbraw/zinc/14/94/96/181149496.db2.gz NUCQTIJPOADONI-UHFFFAOYSA-N 0 0 244.685 2.932 10 30 BFEERN N#Cc1ccccc1Oc1nncc2ccoc21 ZINC000065502232 181149923 /nfs/dbraw/zinc/14/99/23/181149923.db2.gz PRCLVWDONRLFOL-UHFFFAOYSA-N 0 0 237.218 2.887 10 30 BFEERN N#Cc1ccccc1OCc1ccc(N)cc1 ZINC000019264951 181150264 /nfs/dbraw/zinc/15/02/64/181150264.db2.gz ZQFOTOFOSSGZAS-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN C=CCNC1(c2noc(C(C)C)n2)CCCC1 ZINC000173705789 166396928 /nfs/dbraw/zinc/39/69/28/166396928.db2.gz VSVQPVRFRLRLED-UHFFFAOYSA-N 0 0 235.331 2.738 10 30 BFEERN N#Cc1cccnc1Oc1ccc(Cl)cc1N ZINC000036667219 181154265 /nfs/dbraw/zinc/15/42/65/181154265.db2.gz IBYJIWTUHSUCON-UHFFFAOYSA-N 0 0 245.669 2.981 10 30 BFEERN N#Cc1ccnc(N2CCC[C@@H]2C2CCCC2)n1 ZINC000231899972 181155621 /nfs/dbraw/zinc/15/56/21/181155621.db2.gz CPNGUMQYRVQFJF-CYBMUJFWSA-N 0 0 242.326 2.507 10 30 BFEERN N#Cc1cn(Cc2ccccn2)c2ccccc12 ZINC000020533902 181161845 /nfs/dbraw/zinc/16/18/45/181161845.db2.gz SKFNKEVHLTUEHW-UHFFFAOYSA-N 0 0 233.274 2.956 10 30 BFEERN N#Cc1ccsc1NCc1ccc[nH]1 ZINC000083344022 181161607 /nfs/dbraw/zinc/16/16/07/181161607.db2.gz NYXDKQJTYLGGBK-UHFFFAOYSA-N 0 0 203.270 2.560 10 30 BFEERN N#Cc1ccsc1NC(=O)c1sccc1N ZINC000040310685 181161677 /nfs/dbraw/zinc/16/16/77/181161677.db2.gz IPGPWAXXHHXVFP-UHFFFAOYSA-N 0 0 249.320 2.516 10 30 BFEERN C[C@@H]1CC(C)(C)C[N@@H+]1CC1(C#N)CCC1 ZINC000335193949 355026703 /nfs/dbraw/zinc/02/67/03/355026703.db2.gz XDTJDLLAIHYJRX-LLVKDONJSA-N 0 0 206.333 2.801 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1ccncc1Cl ZINC000335183658 355081676 /nfs/dbraw/zinc/08/16/76/355081676.db2.gz DOFHXQFVCIPOLU-CABZTGNLSA-N 0 0 235.718 2.517 10 30 BFEERN CC(=O)Nc1ccccc1C#C[Si](C)(C)C ZINC000196420069 491074218 /nfs/dbraw/zinc/07/42/18/491074218.db2.gz AENRZZNOGPUCAO-UHFFFAOYSA-N 0 0 231.371 2.874 10 30 BFEERN N#Cc1sc2ncccc2c1Br ZINC000095830970 181178704 /nfs/dbraw/zinc/17/87/04/181178704.db2.gz VSPADNVBMOWRAH-UHFFFAOYSA-N 0 0 239.097 2.930 10 30 BFEERN N/C(=N\O)c1ccc(Sc2ccccc2)cc1 ZINC000019866354 181181779 /nfs/dbraw/zinc/18/17/79/181181779.db2.gz ORVBFFJNDMRRDU-UHFFFAOYSA-N 0 0 244.319 2.932 10 30 BFEERN C=CC(C)(C)CNc1nccnc1C(C)C ZINC000413307835 191370996 /nfs/dbraw/zinc/37/09/96/191370996.db2.gz BIQUHEWYXXOBLH-UHFFFAOYSA-N 0 0 219.332 2.646 10 30 BFEERN C#C[C@@H](C)N[C@@H](C)c1ccc(Br)o1 ZINC000166402528 355398697 /nfs/dbraw/zinc/39/86/97/355398697.db2.gz GRAQOIYMJBJVIV-SFYZADRCSA-N 0 0 242.116 2.714 10 30 BFEERN C[C@H](C#N)Oc1cc(F)ccc1Br ZINC000160245382 355621818 /nfs/dbraw/zinc/62/18/18/355621818.db2.gz GSPNXTWWQCHYIF-ZCFIWIBFSA-N 0 0 244.063 2.879 10 30 BFEERN Cc1cc(F)cc2c1CN(C(C)(C)C#N)CC2 ZINC000336037171 134060299 /nfs/dbraw/zinc/06/02/99/134060299.db2.gz QMMARVNYVXJIHH-UHFFFAOYSA-N 0 0 232.302 2.794 10 30 BFEERN C[C@H](Nc1ncccc1C#N)c1ccco1 ZINC000035135131 355842603 /nfs/dbraw/zinc/84/26/03/355842603.db2.gz IISYYLKVVRXPQF-VIFPVBQESA-N 0 0 213.240 2.719 10 30 BFEERN C[C@@H](Nc1ccc(C#N)cn1)c1ccco1 ZINC000035149775 355857614 /nfs/dbraw/zinc/85/76/14/355857614.db2.gz IRFUDGPXZWTQPU-SECBINFHSA-N 0 0 213.240 2.719 10 30 BFEERN CNC(=S)[C@@]1(c2ccccn2)CCCS1 ZINC000000000617 355889969 /nfs/dbraw/zinc/88/99/69/355889969.db2.gz ITNLONMDUMHEOK-NSHDSACASA-N 0 0 238.381 2.762 10 30 in-man BFEERN C=C(C)Cn1c(C)cc2c1CCCC2=O ZINC000167677665 356431880 /nfs/dbraw/zinc/43/18/80/356431880.db2.gz DDTLVYZCENHLRM-UHFFFAOYSA-N 0 0 203.285 2.892 10 30 BFEERN C=C(Cl)CNc1cc(F)ccc1N ZINC000168171660 356503153 /nfs/dbraw/zinc/50/31/53/356503153.db2.gz LBDIYEVXPKQSMK-UHFFFAOYSA-N 0 0 200.644 2.572 10 30 BFEERN C=C(Br)CNc1cc(N)cc(F)c1 ZINC000168188298 356544073 /nfs/dbraw/zinc/54/40/73/356544073.db2.gz AUFDHYSVKVFHOW-UHFFFAOYSA-N 0 0 245.095 2.728 10 30 BFEERN C=C(Br)CNc1cc(C)cc(N)c1 ZINC000168185691 356539345 /nfs/dbraw/zinc/53/93/45/356539345.db2.gz KIZNQWUEYIQWPP-UHFFFAOYSA-N 0 0 241.132 2.898 10 30 BFEERN C=C(Br)CNc1ccc(N)cc1 ZINC000168183698 356539920 /nfs/dbraw/zinc/53/99/20/356539920.db2.gz CQVDBWYXDBGYPF-UHFFFAOYSA-N 0 0 227.105 2.589 10 30 BFEERN C=C(Br)CNc1cc(N)ccc1C ZINC000168194770 356557578 /nfs/dbraw/zinc/55/75/78/356557578.db2.gz NLBXDWABVWZTDD-UHFFFAOYSA-N 0 0 241.132 2.898 10 30 BFEERN C[C@H](C#N)Oc1ccc(F)c(Br)c1 ZINC000137548851 356659380 /nfs/dbraw/zinc/65/93/80/356659380.db2.gz AWMGJXFIRGFOFE-ZCFIWIBFSA-N 0 0 244.063 2.879 10 30 BFEERN Nc1cc(Cl)ccc1C#CC(F)(F)F ZINC000675078185 538514970 /nfs/dbraw/zinc/51/49/70/538514970.db2.gz BUHHQPLCTWSWHZ-UHFFFAOYSA-N 0 0 219.593 2.836 10 30 BFEERN C#Cc1ccccc1NC(=O)NC(C)(C)CC ZINC000675078226 538515142 /nfs/dbraw/zinc/51/51/42/538515142.db2.gz CJQXHRRHTYFELR-UHFFFAOYSA-N 0 0 230.311 2.978 10 30 BFEERN C#Cc1ccccc1NC(=O)NC1CCCC1 ZINC000675079176 538517229 /nfs/dbraw/zinc/51/72/29/538517229.db2.gz QTVQMSLNIZYHRO-UHFFFAOYSA-N 0 0 228.295 2.732 10 30 BFEERN C#Cc1ccccc1NC(=O)N[C@@H](C)C(C)C ZINC000675079167 538517379 /nfs/dbraw/zinc/51/73/79/538517379.db2.gz QMYOAOAFWUIPAE-NSHDSACASA-N 0 0 230.311 2.834 10 30 BFEERN CCC[C@@H]1CCC[C@]2(CC1)O[C@H]2C(=O)OC ZINC000084324128 538531317 /nfs/dbraw/zinc/53/13/17/538531317.db2.gz GJGFYJGMQKUCDJ-NTZNESFSSA-N 0 0 226.316 2.677 10 30 BFEERN O=CC1(c2ccccc2Br)CC1 ZINC000084423478 538531904 /nfs/dbraw/zinc/53/19/04/538531904.db2.gz DJGQUBPCXVUKMN-UHFFFAOYSA-N 0 0 225.085 2.680 10 30 BFEERN C=CCN(CC=C)c1ccc(C=O)cc1[N+](=O)[O-] ZINC000033500574 356700856 /nfs/dbraw/zinc/70/08/56/356700856.db2.gz CDKFHVWQNXJBSR-UHFFFAOYSA-N 0 0 246.266 2.586 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@@]1(C)C1CCCC1 ZINC000086166080 538552221 /nfs/dbraw/zinc/55/22/21/538552221.db2.gz VETBGJPTHLNJHW-STQMWFEESA-N 0 0 226.316 2.677 10 30 BFEERN CCOC(=O)[C@@H]1O[C@]12CCCC[C@@H]2C(C)C ZINC000125957332 538526954 /nfs/dbraw/zinc/52/69/54/538526954.db2.gz FXJFMDZNTLZAFA-MDZLAQPJSA-N 0 0 226.316 2.533 10 30 BFEERN CCOC(=O)[C@@H]1O[C@@]12CCCC(C)(C)CC2 ZINC000084324459 538530378 /nfs/dbraw/zinc/53/03/78/538530378.db2.gz SQCPGUVKWXEYHH-GXFFZTMASA-N 0 0 226.316 2.677 10 30 BFEERN CCOC(=O)[C@@]1(CC)O[C@@]12CCC(C)(C)C2 ZINC000087770705 538569303 /nfs/dbraw/zinc/56/93/03/538569303.db2.gz URAWWXVXOLUCIV-CHWSQXEVSA-N 0 0 226.316 2.677 10 30 BFEERN CCCCCCC[C@]1(C)O[C@@H]1C(=O)OC ZINC000091365783 538594724 /nfs/dbraw/zinc/59/47/24/538594724.db2.gz GCTJTXYQFNFPJV-PWSUYJOCSA-N 0 0 214.305 2.677 10 30 BFEERN O[C@H]1CCCC[C@@H]1C#Cc1ccsc1 ZINC000035300895 356810281 /nfs/dbraw/zinc/81/02/81/356810281.db2.gz WGCAZLGREORNRX-NEPJUHHUSA-N 0 0 206.310 2.651 10 30 BFEERN N#Cc1cnccc1N[C@H]1CCCc2ccccc21 ZINC000399537108 356971913 /nfs/dbraw/zinc/97/19/13/356971913.db2.gz XCDKUUHWCQEXGB-INIZCTEOSA-N 0 0 249.317 2.865 10 30 BFEERN C#CC(=O)c1ccc(C)cc1Br ZINC000168757184 357218993 /nfs/dbraw/zinc/21/89/93/357218993.db2.gz RJJZEVDYVHSURD-UHFFFAOYSA-N 0 0 223.069 2.573 10 30 BFEERN COc1c(CC#N)cccc1OC(F)(F)F ZINC000380516188 357274288 /nfs/dbraw/zinc/27/42/88/357274288.db2.gz SUXHUDBANZPRNF-UHFFFAOYSA-N 0 0 231.173 2.660 10 30 BFEERN CCC[C@H]1C[C@H]1NC(=O)C(C#N)(CC)CC ZINC000233369903 325186581 /nfs/dbraw/zinc/18/65/81/325186581.db2.gz DQNKDWCFCBZOHS-WDEREUQCSA-N 0 0 222.332 2.621 10 30 BFEERN C[C@H](C#N)N1CCC(c2ccccc2)CC1 ZINC000193210780 357870928 /nfs/dbraw/zinc/87/09/28/357870928.db2.gz XANSQBLVFJEFTJ-GFCCVEGCSA-N 0 0 214.312 2.778 10 30 BFEERN CC1(C)CCCN1C(=O)c1sccc1C#N ZINC000102918455 357948521 /nfs/dbraw/zinc/94/85/21/357948521.db2.gz PKXKDMYPXSKIEN-UHFFFAOYSA-N 0 0 234.324 2.634 10 30 BFEERN Cc1cc(C(=O)N[C@H]2CCC[C@H]2C#N)c(C)s1 ZINC000610495633 357956367 /nfs/dbraw/zinc/95/63/67/357956367.db2.gz BWKCPYCQCULURJ-JQWIXIFHSA-N 0 0 248.351 2.787 10 30 BFEERN N#Cc1cc(C(F)(F)F)cc(F)c1F ZINC000137846239 358002550 /nfs/dbraw/zinc/00/25/50/358002550.db2.gz CESXTESOSNSYJM-UHFFFAOYSA-N 0 0 207.101 2.855 10 30 BFEERN CC[C@@H](C#N)C(=O)N[C@H]1CCCc2ccccc21 ZINC000051632496 358043629 /nfs/dbraw/zinc/04/36/29/358043629.db2.gz VCSWSQWWMGKUNC-FZMZJTMJSA-N 0 0 242.322 2.730 10 30 BFEERN CCN(CCC#N)c1ccc([C@@H](C)O)cc1F ZINC000042450978 169816636 /nfs/dbraw/zinc/81/66/36/169816636.db2.gz ITGQOLVTMFAJQZ-SNVBAGLBSA-N 0 0 236.290 2.619 10 30 BFEERN C=CC[C@@H](C)Nc1ncc(Cl)cc1N ZINC000169045978 358093783 /nfs/dbraw/zinc/09/37/83/358093783.db2.gz VOIZIWDZBUHUGJ-SSDOTTSWSA-N 0 0 211.696 2.694 10 30 BFEERN Cc1ccc2c(c1)C=C(C[C@@H](N)C#N)CC2 ZINC000039039886 358217187 /nfs/dbraw/zinc/21/71/87/358217187.db2.gz FHJHLPIYQREDMT-CQSZACIVSA-N 0 0 212.296 2.566 10 30 BFEERN CC(=O)C(=Cc1ccc(Cl)cc1)C(=O)CF ZINC000584611222 358275196 /nfs/dbraw/zinc/27/51/96/358275196.db2.gz POKRBFFBYYSAGO-WDZFZDKYSA-N 0 0 240.661 2.851 10 30 BFEERN C=CCOC1(OCC=C)C[C@@H]1C(=C)Cl ZINC000584614176 358279061 /nfs/dbraw/zinc/27/90/61/358279061.db2.gz YVYOSXIADMXOMU-SNVBAGLBSA-N 0 0 214.692 2.860 10 30 BFEERN C=CC[C@@H](C#N)c1cc(OC)c(OC)c(OC)c1 ZINC000584595544 358253090 /nfs/dbraw/zinc/25/30/90/358253090.db2.gz GUPXHYVUCHDTAV-JTQLQIEISA-N 0 0 247.294 2.896 10 30 BFEERN C[C@@](O)(C#CC1(O)CCCCC1)c1ccccc1 ZINC000584595947 358253937 /nfs/dbraw/zinc/25/39/37/358253937.db2.gz CPRKHGGXCFRZGC-OAHLLOKOSA-N 0 0 244.334 2.593 10 30 BFEERN CC[C@H](COc1cccc(C)c1)N=C(C)NC#N ZINC000584601796 358259367 /nfs/dbraw/zinc/25/93/67/358259367.db2.gz OSYLSGBUEWBCKG-CYBMUJFWSA-N 0 0 245.326 2.642 10 30 BFEERN CC[C@H](COc1ccccc1C)N=C(C)NC#N ZINC000584602037 358259383 /nfs/dbraw/zinc/25/93/83/358259383.db2.gz XRRFRUDCSIPUKM-CYBMUJFWSA-N 0 0 245.326 2.642 10 30 BFEERN CCOP(=O)(OCC)/C(C)=C\OCC#N ZINC000584602146 358260053 /nfs/dbraw/zinc/26/00/53/358260053.db2.gz PAQLPPOEKGJCDG-HJWRWDBZSA-N 0 0 233.204 2.654 10 30 BFEERN O=CC[C@H](C(=O)c1ccccc1)C(F)(F)F ZINC000584631070 358260608 /nfs/dbraw/zinc/26/06/08/358260608.db2.gz QXNSTSSDTIBCAW-SECBINFHSA-N 0 0 230.185 2.637 10 30 BFEERN C/C=N/c1nnc2c3ccccc3nc-2s1 ZINC000584604194 358263196 /nfs/dbraw/zinc/26/31/96/358263196.db2.gz SCTFJBUMFREGPE-SWGQDTFXSA-N 0 0 228.280 2.913 10 30 BFEERN C=CCC(F)(F)c1ccc(C(=O)OCC)cn1 ZINC000584604490 358263324 /nfs/dbraw/zinc/26/33/24/358263324.db2.gz JOZKUYCFGDWQLZ-UHFFFAOYSA-N 0 0 241.237 2.926 10 30 BFEERN COC(=O)CCCCCCC[C@H](C)C=O ZINC000584607077 358267411 /nfs/dbraw/zinc/26/74/11/358267411.db2.gz YASXWUKMQLJUAI-NSHDSACASA-N 0 0 214.305 2.725 10 30 BFEERN C=CC[C@@](C)(CC)N[S@@](=O)C(C)(C)C ZINC000584608976 358269954 /nfs/dbraw/zinc/26/99/54/358269954.db2.gz NNHYLPYISQIDKK-RISCZKNCSA-N 0 0 217.378 2.783 10 30 BFEERN C=C[C@@]1(c2ccc(Cl)cc2)COCO1 ZINC000584610510 358273781 /nfs/dbraw/zinc/27/37/81/358273781.db2.gz AGYHEKSMFREBPI-NSHDSACASA-N 0 0 210.660 2.726 10 30 BFEERN C=C(Br)[C@@H]1OC(C)(C)OC1(C)C ZINC000584610607 358273828 /nfs/dbraw/zinc/27/38/28/358273828.db2.gz RFHFAAKUNGMWJC-ZETCQYMHSA-N 0 0 235.121 2.825 10 30 BFEERN COc1ccc(C(=O)C=C(C)F)cc1OC ZINC000584611206 358274879 /nfs/dbraw/zinc/27/48/79/358274879.db2.gz XUKIQZRRSWXZAS-VURMDHGXSA-N 0 0 224.231 2.760 10 30 BFEERN CCCCC[C@@H]1CC(=O)C=C(OC(C)=O)C1 ZINC000584624693 358293094 /nfs/dbraw/zinc/29/30/94/358293094.db2.gz GJOKBIMTUJIYHO-LLVKDONJSA-N 0 0 224.300 2.993 10 30 BFEERN CCCCC[C@H]1CC(=O)C=C(OC(C)=O)C1 ZINC000584624694 358293114 /nfs/dbraw/zinc/29/31/14/358293114.db2.gz GJOKBIMTUJIYHO-NSHDSACASA-N 0 0 224.300 2.993 10 30 BFEERN C#Cc1ccc2ccn(C(=O)OC(C)(C)C)c2n1 ZINC000584662182 358312771 /nfs/dbraw/zinc/31/27/71/358312771.db2.gz QSYUYZVDQJVKSZ-UHFFFAOYSA-N 0 0 242.278 2.801 10 30 BFEERN N#CC1=NNN[C@H]1c1cccc2ccccc21 ZINC000584617227 358282227 /nfs/dbraw/zinc/28/22/27/358282227.db2.gz RDGPYFQYXAZHST-OLZOCXBDSA-N 0 0 222.251 2.743 10 30 BFEERN C=C[C@@]1(c2ccc(Cl)cc2)COC(=O)O1 ZINC000584634444 358318436 /nfs/dbraw/zinc/31/84/36/358318436.db2.gz BKRSXVKQBXOWLD-NSHDSACASA-N 0 0 224.643 2.888 10 30 BFEERN C=C[C@]1(c2ccc(C)cc2)COC(=O)O1 ZINC000584634469 358318495 /nfs/dbraw/zinc/31/84/95/358318495.db2.gz FTMHUFVBDNXYJO-GFCCVEGCSA-N 0 0 204.225 2.543 10 30 BFEERN O=C(OCC#CC(F)=C(F)F)c1ccccc1 ZINC000584634699 358318887 /nfs/dbraw/zinc/31/88/87/358318887.db2.gz UXRBNKJPIHMPOW-UHFFFAOYSA-N 0 0 240.180 2.924 10 30 BFEERN C#Cc1ccc(Cl)cc1[Si](C)(C)C ZINC000584635965 358320688 /nfs/dbraw/zinc/32/06/88/358320688.db2.gz UWODWOYRXCGZDH-UHFFFAOYSA-N 0 0 208.764 2.867 10 30 BFEERN C=C(C)COc1ccc2c(c1)occc2=O ZINC000584636314 358321088 /nfs/dbraw/zinc/32/10/88/358321088.db2.gz DETIQTVOKMEWNZ-UHFFFAOYSA-N 0 0 216.236 2.748 10 30 BFEERN Cc1csc(-c2cnc(C#N)c(C#N)n2)c1C ZINC000584637308 358322685 /nfs/dbraw/zinc/32/26/85/358322685.db2.gz UWVZINOBCHQPGR-UHFFFAOYSA-N 0 0 240.291 2.565 10 30 BFEERN C[Si](C)(C)C#CCc1ccc(C=O)o1 ZINC000584637638 358323330 /nfs/dbraw/zinc/32/33/30/358323330.db2.gz SALKCDRKCPHNRO-UHFFFAOYSA-N 0 0 206.317 2.515 10 30 BFEERN CC[C@H](C#N)N1CCSC(C)(C)CC1 ZINC000231046368 358540753 /nfs/dbraw/zinc/54/07/53/358540753.db2.gz VJNYYHRHTFHQKY-SNVBAGLBSA-N 0 0 212.362 2.506 10 30 BFEERN C[C@H](C#N)N1CC=C(c2ccccc2F)CC1 ZINC000127471900 358563419 /nfs/dbraw/zinc/56/34/19/358563419.db2.gz ZTNRXXBNSRAMEZ-LLVKDONJSA-N 0 0 230.286 2.827 10 30 BFEERN C#C[C@@H](NC)c1cccc(Cl)c1Cl ZINC000130191638 358749622 /nfs/dbraw/zinc/74/96/22/358749622.db2.gz AFFLBRPMGRAFAK-SECBINFHSA-N 0 0 214.095 2.887 10 30 BFEERN C=C(Cl)CNc1ncccc1Cl ZINC000130250546 358979495 /nfs/dbraw/zinc/97/94/95/358979495.db2.gz MLFYAMAYTRRDGB-UHFFFAOYSA-N 0 0 203.072 2.899 10 30 BFEERN C#C[C@@H](NC)c1ccc(Cl)cc1Cl ZINC000130207274 358952288 /nfs/dbraw/zinc/95/22/88/358952288.db2.gz QDSRBYLMSIXJIF-SNVBAGLBSA-N 0 0 214.095 2.887 10 30 BFEERN N#Cc1ccc(N)c(NCc2ccccc2)c1 ZINC000130271894 358996323 /nfs/dbraw/zinc/99/63/23/358996323.db2.gz GMZVQLJLYJPYQM-UHFFFAOYSA-N 0 0 223.279 2.753 10 30 BFEERN CO[C@H](C=O)c1ccc(Br)cc1C ZINC000306216656 359330182 /nfs/dbraw/zinc/33/01/82/359330182.db2.gz PXKMCXGQVMBUGG-SNVBAGLBSA-N 0 0 243.100 2.644 10 30 BFEERN C#CC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000306221134 359346581 /nfs/dbraw/zinc/34/65/81/359346581.db2.gz VRHCMTCPOIXUPQ-UHFFFAOYSA-N 0 0 214.051 2.565 10 30 BFEERN C=C[C@H](C)Nc1ncc2ccsc2n1 ZINC000306223666 359348418 /nfs/dbraw/zinc/34/84/18/359348418.db2.gz SMBQOKSGBSCLAR-ZETCQYMHSA-N 0 0 205.286 2.678 10 30 BFEERN C=C[C@H](C)Nc1nc(C)ncc1Br ZINC000306322852 359607870 /nfs/dbraw/zinc/60/78/70/359607870.db2.gz MDUIRDXCCHVANS-LURJTMIESA-N 0 0 242.120 2.534 10 30 BFEERN CC#CCC[C@H](O)c1ccnc(Cl)c1 ZINC000161029307 359808421 /nfs/dbraw/zinc/80/84/21/359808421.db2.gz NZZCLCTUXKCBPI-JTQLQIEISA-N 0 0 209.676 2.572 10 30 BFEERN N#Cc1c(N)scc1OCc1ccccc1 ZINC000306418177 359825937 /nfs/dbraw/zinc/82/59/37/359825937.db2.gz ZYRCFAPEBMPDBB-UHFFFAOYSA-N 0 0 230.292 2.781 10 30 BFEERN C[C@@]1(c2cccc(Cl)c2)CC[C@H](C=O)O1 ZINC000306420887 359865719 /nfs/dbraw/zinc/86/57/19/359865719.db2.gz GKODGGXSINWTPX-NEPJUHHUSA-N 0 0 224.687 2.933 10 30 BFEERN C#C[C@](C)(O)c1ccc(Cl)c(Cl)c1 ZINC000306429940 359883663 /nfs/dbraw/zinc/88/36/63/359883663.db2.gz KSADLTOZENANBE-JTQLQIEISA-N 0 0 215.079 2.834 10 30 BFEERN C[C@@H]1C[C@H]1CNc1c(Cl)nsc1C#N ZINC000306432927 359917151 /nfs/dbraw/zinc/91/71/51/359917151.db2.gz VFZVZHSEIJKUEG-RITPCOANSA-N 0 0 227.720 2.736 10 30 BFEERN C[C@H]1C[C@H]1CNc1c(Cl)nsc1C#N ZINC000306432928 359917204 /nfs/dbraw/zinc/91/72/04/359917204.db2.gz VFZVZHSEIJKUEG-WDSKDSINSA-N 0 0 227.720 2.736 10 30 BFEERN O=C[C@H]1CC[C@@H](c2cc(Cl)cs2)O1 ZINC000306472630 360100424 /nfs/dbraw/zinc/10/04/24/360100424.db2.gz CMVBWGGYONUVDH-SFYZADRCSA-N 0 0 216.689 2.821 10 30 BFEERN C[C@@H]1CC[C@H](C(=O)CC#CC(C)(C)C)O1 ZINC000300719749 360381541 /nfs/dbraw/zinc/38/15/41/360381541.db2.gz BCHFKJSZBRKHOR-ZYHUDNBSSA-N 0 0 208.301 2.563 10 30 BFEERN CC(C)[C@]1(c2cccs2)CC[C@@H](C=O)O1 ZINC000306569576 360447954 /nfs/dbraw/zinc/44/79/54/360447954.db2.gz WYNSVIWGSHMJGF-JQWIXIFHSA-N 0 0 224.325 2.977 10 30 BFEERN O=C(C=C1CCCCC1)C[C@@H]1CCOC1 ZINC000306589679 360495279 /nfs/dbraw/zinc/49/52/79/360495279.db2.gz UOKRHQOPKCLUBW-LBPRGKRZSA-N 0 0 208.301 2.873 10 30 BFEERN N#CCc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000306578574 360467404 /nfs/dbraw/zinc/46/74/04/360467404.db2.gz MJINFYXMZMDQJX-UHFFFAOYSA-N 0 0 231.038 2.968 10 30 BFEERN N#Cc1ccccc1-n1ccc(Br)n1 ZINC000238033652 360536706 /nfs/dbraw/zinc/53/67/06/360536706.db2.gz ZNMWAQYKUJFHSS-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN CC(C)(C)C#CCC(=O)C(F)(F)Cl ZINC000300816832 360517353 /nfs/dbraw/zinc/51/73/53/360517353.db2.gz YMGDUSDZPKKLKF-UHFFFAOYSA-N 0 0 208.635 2.827 10 30 BFEERN O=C1C=CO[C@]2(CCCc3sccc32)C1 ZINC000069852490 360722441 /nfs/dbraw/zinc/72/24/41/360722441.db2.gz LLFOMPGYZYDQAI-GFCCVEGCSA-N 0 0 220.293 2.783 10 30 BFEERN CSc1ccc([C@H]2CC(=O)C=CO2)cc1 ZINC000069850398 360702159 /nfs/dbraw/zinc/70/21/59/360702159.db2.gz PXCDIBWZDJUNBL-GFCCVEGCSA-N 0 0 220.293 2.953 10 30 BFEERN Cc1ccc([C@@H]2CC(=O)C=CO2)cc1F ZINC000069850464 360702904 /nfs/dbraw/zinc/70/29/04/360702904.db2.gz ZROBWCLQYRCUOZ-LBPRGKRZSA-N 0 0 206.216 2.678 10 30 BFEERN Cc1cc(F)ccc1[C@@H]1CC(=O)C=CO1 ZINC000069850488 360702940 /nfs/dbraw/zinc/70/29/40/360702940.db2.gz BKELBYQNULBWNA-LBPRGKRZSA-N 0 0 206.216 2.678 10 30 BFEERN C#CCCCCNc1nnc(CCC)s1 ZINC000153536421 360773539 /nfs/dbraw/zinc/77/35/39/360773539.db2.gz WQQFUCVRDYRUIY-UHFFFAOYSA-N 0 0 223.345 2.706 10 30 BFEERN COc1cccc(CC#N)c1C(F)(F)F ZINC000238367007 360950284 /nfs/dbraw/zinc/95/02/84/360950284.db2.gz NXVLSYPNVUZUHU-UHFFFAOYSA-N 0 0 215.174 2.780 10 30 BFEERN N#CCc1cc(Cl)c(OC(F)(F)F)cn1 ZINC000238541001 361147042 /nfs/dbraw/zinc/14/70/42/361147042.db2.gz IKMBCJXZBNPWPI-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN Cc1ccc([C@H]2CCC[C@@H](C=O)O2)cc1 ZINC000306638925 361584011 /nfs/dbraw/zinc/58/40/11/361584011.db2.gz CEDOIZLBOLGDFM-QWHCGFSZSA-N 0 0 204.269 2.804 10 30 BFEERN C=C(Cl)CN1CCC(=O)c2ccccc21 ZINC000070601239 361584311 /nfs/dbraw/zinc/58/43/11/361584311.db2.gz JUFPBBACZSQRMA-UHFFFAOYSA-N 0 0 221.687 2.832 10 30 BFEERN SCCc1csc(N2CCCCC2)n1 ZINC000306637843 361585458 /nfs/dbraw/zinc/58/54/58/361585458.db2.gz BPUBMSMPQMKFBO-UHFFFAOYSA-N 0 0 228.386 2.606 10 30 BFEERN COC(=O)[C@@]1(Cl)OC1(CC(C)C)CC(C)C ZINC000234579269 541311600 /nfs/dbraw/zinc/31/16/00/541311600.db2.gz FMORAKVEOLRZRV-GFCCVEGCSA-N 0 0 248.750 2.956 10 30 BFEERN CCO/C=C1\C(=O)c2ccccc2[C@H]1C ZINC000307068774 541314765 /nfs/dbraw/zinc/31/47/65/541314765.db2.gz XTNRPFCNZQOSDC-ZPBHHCQCSA-N 0 0 202.253 2.907 10 30 BFEERN CCCOc1nccc(C#N)c1Br ZINC000725273617 541341199 /nfs/dbraw/zinc/34/11/99/541341199.db2.gz PCERQHBCWQOUJT-UHFFFAOYSA-N 0 0 241.088 2.505 10 30 BFEERN N#Cc1cc(F)ccc1NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250777692 364490358 /nfs/dbraw/zinc/49/03/58/364490358.db2.gz ZTPVTQUAEOBIJJ-ILWJIGKKSA-N 0 0 244.269 2.682 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000397665804 541399972 /nfs/dbraw/zinc/39/99/72/541399972.db2.gz YAYGGCMBWYWZRI-AGIUHOORSA-N 0 0 234.343 2.575 10 30 BFEERN C#Cc1nc2ccc(F)cc2n1C(C)C ZINC000685964050 541498091 /nfs/dbraw/zinc/49/80/91/541498091.db2.gz RVLSNHNZZNBFCT-UHFFFAOYSA-N 0 0 202.232 2.738 10 30 BFEERN N#CCc1cc(Br)cc(CC#N)c1 ZINC000078037546 368304369 /nfs/dbraw/zinc/30/43/69/368304369.db2.gz RIMDRVCKJYDYER-UHFFFAOYSA-N 0 0 235.084 2.581 10 30 BFEERN C=C[C@@H]1C=C[C@H]2[C@@H]1[C@@H]1C[C@H]2C[C@@]1(C)C(=O)OC ZINC000001317819 368368202 /nfs/dbraw/zinc/36/82/02/368368202.db2.gz SKTHWNMNKDLRMY-RGOPTCMMSA-N 0 0 232.323 2.810 10 30 BFEERN O=C1C=C2CC[C@H]([C@@H]3CC[C@@H](O)C3)C[C@H]2CC1 ZINC000105131862 368394769 /nfs/dbraw/zinc/39/47/69/368394769.db2.gz NYMYGWPWODIOAR-FMVNMVDZSA-N 0 0 234.339 2.853 10 30 BFEERN C=C[C@]1(COCc2ccccc2)CC[C@H](OC)O1 ZINC000225946148 368418334 /nfs/dbraw/zinc/41/83/34/368418334.db2.gz MXBZONPALQWKLH-HUUCEWRRSA-N 0 0 248.322 2.911 10 30 BFEERN O[C@@H](C#Cc1ccccc1)c1ccc(F)cc1 ZINC000038272219 368408063 /nfs/dbraw/zinc/40/80/63/368408063.db2.gz YCJGYRMVZUESEW-HNNXBMFYSA-N 0 0 226.250 2.911 10 30 BFEERN C=C(CCc1ccccc1)C(=O)OCC ZINC000038271689 368408400 /nfs/dbraw/zinc/40/84/00/368408400.db2.gz LCEAZWWUDCMUQG-UHFFFAOYSA-N 0 0 204.269 2.739 10 30 BFEERN C=CC[C@H](O)[C@@H](C)OCc1ccccc1 ZINC000039039645 368409540 /nfs/dbraw/zinc/40/95/40/368409540.db2.gz WHJDLQGVVYDCOC-YPMHNXCESA-N 0 0 206.285 2.529 10 30 BFEERN C#Cc1ccc(OC)c(OC2CCCC2)c1 ZINC000039149816 368409575 /nfs/dbraw/zinc/40/95/75/368409575.db2.gz DBKWBPDIAPBLFM-UHFFFAOYSA-N 0 0 216.280 2.998 10 30 BFEERN C=CC[C@@H]1Cc2ccccc2CC12OCCO2 ZINC000082040655 368633068 /nfs/dbraw/zinc/63/30/68/368633068.db2.gz BIYKTYLYXDMOLI-CQSZACIVSA-N 0 0 230.307 2.721 10 30 BFEERN COc1cc(C(C)(C)C#N)c(OC)cc1C ZINC000084487977 368857074 /nfs/dbraw/zinc/85/70/74/368857074.db2.gz FAIJLGDRCXMIIM-UHFFFAOYSA-N 0 0 219.284 2.813 10 30 BFEERN C#Cc1ccc(P(=O)(OCC)OCC)cc1 ZINC000090474870 368984504 /nfs/dbraw/zinc/98/45/04/368984504.db2.gz VMNLJZCVBATJGP-UHFFFAOYSA-N 0 0 238.223 2.559 10 30 BFEERN Cc1ncc(C#N)n1[C@@H](C)c1ccccc1 ZINC000005504236 369027205 /nfs/dbraw/zinc/02/72/05/369027205.db2.gz PMQHYMYFNJILRD-JTQLQIEISA-N 0 0 211.268 2.673 10 30 BFEERN C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)C(F)F ZINC000106401348 369115684 /nfs/dbraw/zinc/11/56/84/369115684.db2.gz DPZBQJKAKIFNPH-UWTATZPHSA-N 0 0 246.097 2.538 10 30 BFEERN CCN(CCC#N)c1ccc(F)cc1[C@H](C)O ZINC000042450935 169817053 /nfs/dbraw/zinc/81/70/53/169817053.db2.gz VHAKBYGRJSCALB-JTQLQIEISA-N 0 0 236.290 2.619 10 30 BFEERN N#CC1(Nc2cccnc2)CCCCC1 ZINC000113286431 370398314 /nfs/dbraw/zinc/39/83/14/370398314.db2.gz ZJJVVYFGXVPKAI-UHFFFAOYSA-N 0 0 201.273 2.720 10 30 BFEERN Cn1c(C#N)cc2cc(Br)ccc21 ZINC000114609656 370580079 /nfs/dbraw/zinc/58/00/79/370580079.db2.gz KTXHQILIXKVUAE-UHFFFAOYSA-N 0 0 235.084 2.812 10 30 BFEERN Cc1cc(CN[C@H]2CCCC[C@@H]2C#N)ccn1 ZINC000391189533 371276100 /nfs/dbraw/zinc/27/61/00/371276100.db2.gz OOTDOGYPCHDIIS-KGLIPLIRSA-N 0 0 229.327 2.562 10 30 BFEERN Cc1ccc([C@@H](C)NC(=O)C2(C#N)CC(C)C2)o1 ZINC000125741332 371392771 /nfs/dbraw/zinc/39/27/71/371392771.db2.gz ODEYKHDRIVVHAI-GOSTWBGLSA-N 0 0 246.310 2.705 10 30 BFEERN Nc1ccc(C(=O)/C=C\c2ccco2)cc1 ZINC000033399972 181700131 /nfs/dbraw/zinc/70/01/31/181700131.db2.gz RAJXSKUOVLPIKF-FPLPWBNLSA-N 0 0 213.236 2.758 10 30 BFEERN C#C[C@H](CCC)Nc1ccncc1Cl ZINC000230005977 371632016 /nfs/dbraw/zinc/63/20/16/371632016.db2.gz VDSBAHXBVXXOSU-SECBINFHSA-N 0 0 208.692 2.949 10 30 BFEERN C[C@H](CO)S[C@@H]1CCCCC[C@@H]1C#N ZINC000162424613 371678243 /nfs/dbraw/zinc/67/82/43/371678243.db2.gz IWZQSFUDCCOQDK-GMTAPVOTSA-N 0 0 213.346 2.573 10 30 BFEERN C#C[C@@H](CC)Nc1ccncc1Br ZINC000230001053 371633151 /nfs/dbraw/zinc/63/31/51/371633151.db2.gz XMRPDEMOFBHSBM-QMMMGPOBSA-N 0 0 239.116 2.668 10 30 BFEERN CC#CCCC(=O)c1ccc(N)c(Cl)c1 ZINC000226513964 371685700 /nfs/dbraw/zinc/68/57/00/371685700.db2.gz HHIDNEZPRORVJK-UHFFFAOYSA-N 0 0 221.687 2.908 10 30 BFEERN O=C1C=C(c2ccncc2F)CCCC1 ZINC000230164326 371864412 /nfs/dbraw/zinc/86/44/12/371864412.db2.gz KRKHCFRTWPNEAI-UHFFFAOYSA-N 0 0 205.232 2.747 10 30 BFEERN Cc1ccncc1CN[C@@H]1CCCC[C@@H]1C#N ZINC000162755457 371840338 /nfs/dbraw/zinc/84/03/38/371840338.db2.gz RZZPBKAWCBLNSN-TZMCWYRMSA-N 0 0 229.327 2.562 10 30 BFEERN O=C(/C(F)=C/N1CCCC1)c1ccccc1 ZINC000039055810 181830642 /nfs/dbraw/zinc/83/06/42/181830642.db2.gz IIGHYABOEZDVKQ-BENRWUELSA-N 0 0 219.259 2.776 10 30 BFEERN C=C(Cl)CNc1cc(Cl)nc(C)n1 ZINC000227652895 371915060 /nfs/dbraw/zinc/91/50/60/371915060.db2.gz JLYFXGMRFBOTHO-UHFFFAOYSA-N 0 0 218.087 2.603 10 30 BFEERN C=CCN1CCCC(=O)c2ccccc21 ZINC000163063380 371923800 /nfs/dbraw/zinc/92/38/00/371923800.db2.gz ODWSQGVARXVCKC-UHFFFAOYSA-N 0 0 201.269 2.656 10 30 BFEERN C=C(C)C(=O)c1ccc(Br)cn1 ZINC000133041362 371977571 /nfs/dbraw/zinc/97/75/71/371977571.db2.gz SHHBUHMTTZQJIJ-UHFFFAOYSA-N 0 0 226.073 2.603 10 30 BFEERN CC(C)=CC(=O)[C@@H]1SCCS[C@H]1C ZINC000228075834 371985990 /nfs/dbraw/zinc/98/59/90/371985990.db2.gz AGAVQAWZAOJSAC-WCBMZHEXSA-N 0 0 216.371 2.759 10 30 BFEERN COc1c(F)ccc(Br)c1CC#N ZINC000217431545 371953186 /nfs/dbraw/zinc/95/31/86/371953186.db2.gz JHDDBLNZWIRCOT-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN C[C@@H]1C[C@](C#N)(NCc2ccccc2)[C@@H]1C ZINC000306458119 372022323 /nfs/dbraw/zinc/02/23/23/372022323.db2.gz XSQUPIGOLXWERK-YRGRVCCFSA-N 0 0 214.312 2.714 10 30 BFEERN O=C(C#Cc1ccccc1)CC(F)(F)F ZINC000306297160 372008218 /nfs/dbraw/zinc/00/82/18/372008218.db2.gz DAGWAIUCNNOOSV-UHFFFAOYSA-N 0 0 212.170 2.560 10 30 BFEERN COC(=O)c1cc(Cl)c(Cl)c(C#N)c1 ZINC000306755781 372064468 /nfs/dbraw/zinc/06/44/68/372064468.db2.gz QTLKCLGMAYLYCB-UHFFFAOYSA-N 0 0 230.050 2.652 10 30 BFEERN C=CC[C@@H](C)Nc1nc(Cl)ncc1F ZINC000229325333 372142523 /nfs/dbraw/zinc/14/25/23/372142523.db2.gz KKCIOHBIFKFOJM-ZCFIWIBFSA-N 0 0 215.659 2.646 10 30 BFEERN C=CCOc1nc(Cl)nc2ccccc21 ZINC000032236290 372165552 /nfs/dbraw/zinc/16/55/52/372165552.db2.gz YYOLRBNLFDZOLM-UHFFFAOYSA-N 0 0 220.659 2.848 10 30 BFEERN C[C@](Br)(C#N)CC1CCC1 ZINC000229753043 372190577 /nfs/dbraw/zinc/19/05/77/372190577.db2.gz BVEBOAUATKUVME-MRVPVSSYSA-N 0 0 202.095 2.854 10 30 BFEERN O=C1C=CO[C@@H](c2ccccc2Cl)C1 ZINC000038325431 372535535 /nfs/dbraw/zinc/53/55/35/372535535.db2.gz CRBDKHDPOSZABM-LLVKDONJSA-N 0 0 208.644 2.884 10 30 BFEERN Fc1ccc(C#Cc2ccnc(Cl)n2)cc1 ZINC000038880245 372802452 /nfs/dbraw/zinc/80/24/52/372802452.db2.gz CWXXPCRMUBMKIT-UHFFFAOYSA-N 0 0 232.645 2.669 10 30 BFEERN C#Cc1cc2cccnc2c2ncccc12 ZINC000039185932 372890244 /nfs/dbraw/zinc/89/02/44/372890244.db2.gz UGLYIDJFQYFXSZ-UHFFFAOYSA-N 0 0 204.232 2.764 10 30 BFEERN C=CCNc1cccc(C(F)(F)F)n1 ZINC000039325645 372941901 /nfs/dbraw/zinc/94/19/01/372941901.db2.gz IFXRFUMNSMOLRR-UHFFFAOYSA-N 0 0 202.179 2.698 10 30 BFEERN CC[C@@H](C#N)Oc1cc(N)ccc1Cl ZINC000069635127 373561304 /nfs/dbraw/zinc/56/13/04/373561304.db2.gz HVCPYVISBXXSNN-QMMMGPOBSA-N 0 0 210.664 2.603 10 30 BFEERN O=CCOc1cc(Br)ccc1Cl ZINC000069717794 373641748 /nfs/dbraw/zinc/64/17/48/373641748.db2.gz MRRVBEDKTDLWSE-UHFFFAOYSA-N 0 0 249.491 2.680 10 30 BFEERN O=C1C=CO[C@H](c2cccc(Cl)c2)C1 ZINC000069850294 373877101 /nfs/dbraw/zinc/87/71/01/373877101.db2.gz IEXZGQQLKRDZNF-NSHDSACASA-N 0 0 208.644 2.884 10 30 BFEERN CN(C)[C@@H](C#N)c1ccc(Br)s1 ZINC000041702936 374176840 /nfs/dbraw/zinc/17/68/40/374176840.db2.gz VCDIAKVETNCYQS-LURJTMIESA-N 0 0 245.145 2.637 10 30 BFEERN O=[N+]([O-])c1ccc(CS)c(Cl)c1 ZINC000143521826 374191793 /nfs/dbraw/zinc/19/17/93/374191793.db2.gz NMKNPHZGLIXWFM-UHFFFAOYSA-N 0 0 203.650 2.678 10 30 BFEERN C=CC(=O)c1ccc(Br)c(OC)c1 ZINC000143834595 374254276 /nfs/dbraw/zinc/25/42/76/374254276.db2.gz PAGYZLILKDEDOA-UHFFFAOYSA-N 0 0 241.084 2.826 10 30 BFEERN O=C1c2ccccc2CC/C1=C\c1cccnn1 ZINC000013746672 182712395 /nfs/dbraw/zinc/71/23/95/182712395.db2.gz QPJAJZLWZJXVSQ-ZRDIBKRKSA-N 0 0 236.274 2.689 10 30 BFEERN O=CC1(c2ccc(Br)cc2)CC1 ZINC000057516871 182849580 /nfs/dbraw/zinc/84/95/80/182849580.db2.gz WNPUSMVNRHDNHG-UHFFFAOYSA-N 0 0 225.085 2.680 10 30 BFEERN O=CCCOc1ccc2ccccc2c1 ZINC000011569671 182850761 /nfs/dbraw/zinc/85/07/61/182850761.db2.gz MGFAEEUBTBCRPI-UHFFFAOYSA-N 0 0 200.237 2.808 10 30 BFEERN OCC#Cc1ccc(COc2ccccc2)cc1 ZINC000049620416 183032586 /nfs/dbraw/zinc/03/25/86/183032586.db2.gz RMOINNUFISRKAB-UHFFFAOYSA-N 0 0 238.286 2.609 10 30 BFEERN OCC#Cc1c(OC(F)F)ccc2ccccc21 ZINC000038077800 183032714 /nfs/dbraw/zinc/03/27/14/183032714.db2.gz UDXZQLZTFIQZMP-UHFFFAOYSA-N 0 0 248.228 2.785 10 30 BFEERN OCC#Cc1ccccc1OC1CCCCC1 ZINC000037543740 183033888 /nfs/dbraw/zinc/03/38/88/183033888.db2.gz ZNIHITIGLWZZNV-UHFFFAOYSA-N 0 0 230.307 2.742 10 30 BFEERN OCC#Cc1cccc(COC2CCCCC2)c1 ZINC000049619828 183034206 /nfs/dbraw/zinc/03/42/06/183034206.db2.gz FFXLIMAJIYGEAE-UHFFFAOYSA-N 0 0 244.334 2.880 10 30 BFEERN CCCN(C)C(=O)C(C#N)(CCC)CCC ZINC000044815023 169051185 /nfs/dbraw/zinc/05/11/85/169051185.db2.gz UYPWDQKIJHBDPM-UHFFFAOYSA-N 0 0 224.348 2.965 10 30 BFEERN OCc1ccc(OCC#Cc2ccccc2)cc1 ZINC000051814557 183166593 /nfs/dbraw/zinc/16/65/93/183166593.db2.gz ITFGNKMKNRATAK-UHFFFAOYSA-N 0 0 238.286 2.609 10 30 BFEERN O[C@@H](C#Cc1ccccc1)C(Cl)(Cl)Cl ZINC000021989923 183172541 /nfs/dbraw/zinc/17/25/41/183172541.db2.gz IJDUJFBKDOWJEH-VIFPVBQESA-N 0 0 249.524 2.769 10 30 BFEERN CCCN(C)[C@H](CC#N)c1ccccc1 ZINC000055020088 169087059 /nfs/dbraw/zinc/08/70/59/169087059.db2.gz MKJCLEUZPGGHPF-CYBMUJFWSA-N 0 0 202.301 2.983 10 30 BFEERN Oc1ccc(/C=N/c2ccccc2)c(O)c1 ZINC000000552298 183266841 /nfs/dbraw/zinc/26/68/41/183266841.db2.gz XIMKJDNGTVVTKZ-NTEUORMPSA-N 0 0 213.236 2.848 10 30 BFEERN CCCN(c1cc(C#N)ccn1)C(C)C ZINC000037096310 169182973 /nfs/dbraw/zinc/18/29/73/169182973.db2.gz CTFJPNQGDSBCIU-UHFFFAOYSA-N 0 0 203.289 2.578 10 30 BFEERN CCCN(c1ccccc1C#N)C1CC1 ZINC000037097502 169183002 /nfs/dbraw/zinc/18/30/02/169183002.db2.gz ZMVZKHOBYJUJFS-UHFFFAOYSA-N 0 0 200.285 2.937 10 30 BFEERN CCCN[C@@H](C#N)CCN(C)c1ccc(F)cc1 ZINC000062438156 169273414 /nfs/dbraw/zinc/27/34/14/169273414.db2.gz OVPMQFABQMGMMI-CYBMUJFWSA-N 0 0 249.333 2.544 10 30 BFEERN CCCN[C@@H](C#N)c1ccc(Cl)cc1 ZINC000020174118 169273621 /nfs/dbraw/zinc/27/36/21/169273621.db2.gz OUMWTUILIQCCOC-NSHDSACASA-N 0 0 208.692 2.904 10 30 BFEERN CCCOCCOc1cc(C)ccc1C#N ZINC000104359982 169309605 /nfs/dbraw/zinc/30/96/05/169309605.db2.gz XPYMKEUMPPALEK-UHFFFAOYSA-N 0 0 219.284 2.672 10 30 BFEERN CCC[C@@H](C#N)C(=O)Nc1cc(C#N)ccc1C ZINC000050430478 169343177 /nfs/dbraw/zinc/34/31/77/169343177.db2.gz FNMWPYGHBCCPIZ-LBPRGKRZSA-N 0 0 241.294 2.745 10 30 BFEERN CCC[C@@H](C#N)C(=O)NC1(C)CCCCC1 ZINC000045047045 169343208 /nfs/dbraw/zinc/34/32/08/169343208.db2.gz PGGXEWLDHRPIQZ-NSHDSACASA-N 0 0 222.332 2.765 10 30 BFEERN CCCOc1ccc([C@H](C#N)N(C)C)cc1 ZINC000019934863 169321601 /nfs/dbraw/zinc/32/16/01/169321601.db2.gz BXVVPGORKVGONQ-ZDUSSCGKSA-N 0 0 218.300 2.602 10 30 BFEERN CCCOc1ncc(Br)cc1C#N ZINC000211565210 169328501 /nfs/dbraw/zinc/32/85/01/169328501.db2.gz LVLVCFZCBBVIRN-UHFFFAOYSA-N 0 0 241.088 2.505 10 30 BFEERN Cc1csc(C2CCN([C@@H](C)C#N)CC2)n1 ZINC000181652489 134338307 /nfs/dbraw/zinc/33/83/07/134338307.db2.gz TYAKLJGBCILIST-JTQLQIEISA-N 0 0 235.356 2.543 10 30 BFEERN C[C@H](C#N)N1CCC(Oc2ccc(F)cc2)CC1 ZINC000181888266 134340203 /nfs/dbraw/zinc/34/02/03/134340203.db2.gz DYLVJZNIRKKZLB-LLVKDONJSA-N 0 0 248.301 2.581 10 30 BFEERN CC(C)(C)[C@@H](C#N)NCc1ccccc1 ZINC000039170006 166692239 /nfs/dbraw/zinc/69/22/39/166692239.db2.gz NQEXMNYCHAHCKT-GFCCVEGCSA-N 0 0 202.301 2.714 10 30 BFEERN N#CCc1cc(C#N)cc(F)c1C(F)(F)F ZINC000575648224 383885215 /nfs/dbraw/zinc/88/52/15/383885215.db2.gz PGFVLVZOXPGNQP-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN CC(C)(C)CCCCCC(=O)OC[C@H]1CO1 ZINC000005352132 384111224 /nfs/dbraw/zinc/11/12/24/384111224.db2.gz FIWHJQPAGLNURC-LLVKDONJSA-N 0 0 228.332 2.925 10 30 BFEERN Cc1c(C)c(OC(F)F)ccc1CC#N ZINC000575653108 384124635 /nfs/dbraw/zinc/12/46/35/384124635.db2.gz VONVKTRLYXZULS-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN C=CC[C@H](O)/C(C)=C/c1csc(C)n1 ZINC000036420752 384261358 /nfs/dbraw/zinc/26/13/58/384261358.db2.gz SAMXUQPRBXCGFQ-IOCXFXADSA-N 0 0 209.314 2.792 10 30 BFEERN Cc1cc(Br)c(C#N)s1 ZINC000082381903 384317016 /nfs/dbraw/zinc/31/70/16/384317016.db2.gz WONRKQFJBPVWRL-UHFFFAOYSA-N 0 0 202.076 2.691 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1cc(C#N)ccn1 ZINC000233435395 384343430 /nfs/dbraw/zinc/34/34/30/384343430.db2.gz HPGSYPDOUDUGOS-QWRGUYRKSA-N 0 0 201.273 2.554 10 30 BFEERN N#Cc1ccc(F)cc1CN1C[C@@H]2CCC[C@H]21 ZINC000335771130 384374072 /nfs/dbraw/zinc/37/40/72/384374072.db2.gz UFKZTBAHEKHFGI-SMDDNHRTSA-N 0 0 230.286 2.682 10 30 BFEERN C[C@@H]1CCCCN1c1ccc(N)c(C#N)c1 ZINC000075625584 384332596 /nfs/dbraw/zinc/33/25/96/384332596.db2.gz BZAFMOIKJGKLII-SNVBAGLBSA-N 0 0 215.300 2.519 10 30 BFEERN C[C@H]1CCCCN1c1ccc(N)c(C#N)c1 ZINC000075625587 384332947 /nfs/dbraw/zinc/33/29/47/384332947.db2.gz BZAFMOIKJGKLII-JTQLQIEISA-N 0 0 215.300 2.519 10 30 BFEERN CCc1ccc(CC#N)c(OC(F)F)c1OC ZINC000575658319 384392705 /nfs/dbraw/zinc/39/27/05/384392705.db2.gz RSMQNCFGMVEKCF-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN Cc1c(F)ccc(CC#N)c1OC(F)F ZINC000575661089 384415382 /nfs/dbraw/zinc/41/53/82/384415382.db2.gz INIVUAZFAOPRGG-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN O=CCCc1ccc(F)c(C(F)(F)F)c1 ZINC000095938111 384417206 /nfs/dbraw/zinc/41/72/06/384417206.db2.gz WQTZLFQPENQUQE-UHFFFAOYSA-N 0 0 220.165 2.976 10 30 BFEERN Cc1ccc(OC(F)F)c(CC#N)c1F ZINC000575661963 384418915 /nfs/dbraw/zinc/41/89/15/384418915.db2.gz XJMTYSCIZSNHEY-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN CCCCCCC[C@H](O)C1=C[C@H](C)OC1=O ZINC000014261723 384386704 /nfs/dbraw/zinc/38/67/04/384386704.db2.gz YUMHJXLSSASJGN-JQWIXIFHSA-N 0 0 226.316 2.580 10 30 BFEERN CCc1cc(OC(F)F)cc([N+](=O)[O-])c1C#N ZINC000575657826 384388307 /nfs/dbraw/zinc/38/83/07/384388307.db2.gz BBQOVQZQGFGKDZ-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN Cc1ccc(CC#N)c(OC(F)F)c1[N+](=O)[O-] ZINC000575665364 384432061 /nfs/dbraw/zinc/43/20/61/384432061.db2.gz CRQDSBNVFXVXQE-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN Cc1cc(CC#N)c(OC(F)F)c([N+](=O)[O-])c1 ZINC000575667358 384441571 /nfs/dbraw/zinc/44/15/71/384441571.db2.gz MPPNRRUUCARGHG-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN Cc1cc(C#N)cc(C(F)F)c1[N+](=O)[O-] ZINC000575672285 384467285 /nfs/dbraw/zinc/46/72/85/384467285.db2.gz XEWNUBPQIHRYPN-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN Cc1cc(CC#N)c([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000575673221 384471205 /nfs/dbraw/zinc/47/12/05/384471205.db2.gz FJLALNQISSZCED-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN C#CCN(C(=O)[C@@H]1CCC[C@H]1C)C1CCCC1 ZINC000490934108 384508024 /nfs/dbraw/zinc/50/80/24/384508024.db2.gz HJQUEGDHFQKXCD-TZMCWYRMSA-N 0 0 233.355 2.827 10 30 BFEERN Cc1c(N)c(C#N)sc1-c1ccco1 ZINC000044273688 384570649 /nfs/dbraw/zinc/57/06/49/384570649.db2.gz UDLJMOKJYQWHMZ-UHFFFAOYSA-N 0 0 204.254 2.770 10 30 BFEERN C=CCCc1csc(NC[C@@H]2CCCO2)n1 ZINC000090065476 384574374 /nfs/dbraw/zinc/57/43/74/384574374.db2.gz PASVIQBKSCOQGP-NSHDSACASA-N 0 0 238.356 2.853 10 30 BFEERN C[C@@H]1Cc2sc(N)c(C#N)c2[C@@H](C)C1 ZINC000082857238 384580000 /nfs/dbraw/zinc/58/00/00/384580000.db2.gz CLDWILBRYDRQFF-BQBZGAKWSA-N 0 0 206.314 2.888 10 30 BFEERN N#CCCOCCCC(F)(F)C(F)(F)F ZINC000098210910 384604570 /nfs/dbraw/zinc/60/45/70/384604570.db2.gz FJCKPNUBQKKWMO-UHFFFAOYSA-N 0 0 231.164 2.894 10 30 BFEERN CCOc1c(F)ccc(CC)c1CC#N ZINC000575696401 384671668 /nfs/dbraw/zinc/67/16/68/384671668.db2.gz OXUMKAHGDYGLKJ-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN C[C@H]1CCC[C@H]1C(=O)N1CCC(CC#N)CC1 ZINC000335141480 384639584 /nfs/dbraw/zinc/63/95/84/384639584.db2.gz GKJSODJVPZHNAC-WCQYABFASA-N 0 0 234.343 2.575 10 30 BFEERN FC(F)=C1OC(F)(F)[C@@](F)(C(F)(F)F)O1 ZINC000100424238 384640477 /nfs/dbraw/zinc/64/04/77/384640477.db2.gz RFJVDJWCXSPUBY-GSVOUGTGSA-N 0 0 244.037 2.920 10 30 BFEERN CCCCCCCCCCCNC(=O)NCO ZINC000103600364 384778547 /nfs/dbraw/zinc/77/85/47/384778547.db2.gz MGEWLBHLBXKCOR-UHFFFAOYSA-N 0 0 244.379 2.766 10 30 BFEERN Cc1nc(Cl)c(C#N)cc1C(=O)C1CC1 ZINC000098180779 384735727 /nfs/dbraw/zinc/73/57/27/384735727.db2.gz UYOSBEVPPQWNOD-UHFFFAOYSA-N 0 0 220.659 2.508 10 30 BFEERN COC(=O)c1cc2c(cccc2C#N)s1 ZINC000098181452 384740145 /nfs/dbraw/zinc/74/01/45/384740145.db2.gz FKNBUSAFGFVOEW-UHFFFAOYSA-N 0 0 217.249 2.560 10 30 BFEERN C[Si](C)(C)C#Cc1cc(Cl)c[nH]c1=O ZINC000238853060 384818778 /nfs/dbraw/zinc/81/87/78/384818778.db2.gz IETNXEIOINXRIO-UHFFFAOYSA-N 0 0 225.751 2.670 10 30 BFEERN C#CCN(C)C(=O)[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000191149396 384824107 /nfs/dbraw/zinc/82/41/07/384824107.db2.gz DLEHNUVFZCQPEE-RYUDHWBXSA-N 0 0 221.344 2.540 10 30 BFEERN COCCNc1ccc(-c2ccco2)cc1C#N ZINC000536952334 384804134 /nfs/dbraw/zinc/80/41/34/384804134.db2.gz AZARJCFFAGWBMC-UHFFFAOYSA-N 0 0 242.278 2.877 10 30 BFEERN N#CCc1c(N)c(Cl)ccc1Cl ZINC000575716106 384875484 /nfs/dbraw/zinc/87/54/84/384875484.db2.gz JVJRWJGBJJSTPC-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN COc1c(C#N)cnc2cc(C)cc(C)c21 ZINC000072237058 384840988 /nfs/dbraw/zinc/84/09/88/384840988.db2.gz BLOFKKPRIAYLJK-UHFFFAOYSA-N 0 0 212.252 2.732 10 30 BFEERN C[C@H](O)c1ccncc1-c1ccc(C#N)c(F)c1 ZINC000207682192 385115192 /nfs/dbraw/zinc/11/51/92/385115192.db2.gz CKHUWUCSYYBBRT-VIFPVBQESA-N 0 0 242.253 2.813 10 30 BFEERN N#Cc1c(N)cccc1C#Cc1ccccc1 ZINC000238625878 385261264 /nfs/dbraw/zinc/26/12/64/385261264.db2.gz WXQVHIRPYMHRAU-UHFFFAOYSA-N 0 0 218.259 2.540 10 30 BFEERN C#CC[C@H](C)NC(=O)[C@@H]1CCCc2sccc21 ZINC000157744987 385271642 /nfs/dbraw/zinc/27/16/42/385271642.db2.gz JYSXRJDMZUBRIW-CMPLNLGQSA-N 0 0 247.363 2.696 10 30 BFEERN CCN(C)/C=N/c1nc2ccccc2s1 ZINC000196484158 385509457 /nfs/dbraw/zinc/50/94/57/385509457.db2.gz BNMVZWKLQLVDPQ-XYOKQWHBSA-N 0 0 219.313 2.908 10 30 BFEERN Cc1cc(F)c(Br)c(C#N)c1 ZINC000257979311 385523162 /nfs/dbraw/zinc/52/31/62/385523162.db2.gz DWGXSEGVTGHKDU-UHFFFAOYSA-N 0 0 214.037 2.768 10 30 BFEERN C[C@@H](CC#N)NC(=O)CC1CCC(C)CC1 ZINC000408172838 385605626 /nfs/dbraw/zinc/60/56/26/385605626.db2.gz BAKUJBUVSKDSDA-CXQJBGSLSA-N 0 0 222.332 2.621 10 30 BFEERN N#CCN[C@H]1CCC[C@H]1c1ccc(F)cc1 ZINC000309519950 385656448 /nfs/dbraw/zinc/65/64/48/385656448.db2.gz BCUMVZVYKDRFFX-STQMWFEESA-N 0 0 218.275 2.575 10 30 BFEERN Cc1ccc(C)c(C#N)c1Br ZINC000259863633 385787671 /nfs/dbraw/zinc/78/76/71/385787671.db2.gz AWHRXJNAGUXJGY-UHFFFAOYSA-N 0 0 210.074 2.938 10 30 BFEERN C/C=C/C(=O)c1cc(N)cc(Br)c1 ZINC000575576696 386191412 /nfs/dbraw/zinc/19/14/12/386191412.db2.gz AMJFOGQXNROXII-NSCUHMNNSA-N 0 0 240.100 2.790 10 30 BFEERN C[C@H]1CCC[C@H]1C(=O)N(CC#N)C1CCCC1 ZINC000230058225 386328428 /nfs/dbraw/zinc/32/84/28/386328428.db2.gz DCYZEARANRCUQN-WCQYABFASA-N 0 0 234.343 2.717 10 30 BFEERN N#CCc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC000306893453 386520631 /nfs/dbraw/zinc/52/06/31/386520631.db2.gz JMFANNCAZYXZTI-UHFFFAOYSA-N 0 0 231.038 2.968 10 30 BFEERN CC(C)CC(C)(C)C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000408421206 386566300 /nfs/dbraw/zinc/56/63/00/386566300.db2.gz GWABQYDUYHUZJI-NWDGAFQWSA-N 0 0 236.359 2.867 10 30 BFEERN C=C(CO)[C@@H]1CC[C@@]2(C)CCC[C@@](C)(O)[C@@H]2C1 ZINC000015208889 386568740 /nfs/dbraw/zinc/56/87/40/386568740.db2.gz RMARCXQAHOJNRB-KBUPBQIOSA-N 0 0 238.371 2.892 10 30 biogenic,in-vitro BFEERN Cc1ccsc1[C@@H]1CC[C@](C)(C=O)O1 ZINC000307407989 386636751 /nfs/dbraw/zinc/63/67/51/386636751.db2.gz FQSALFQLZACSAL-GXSJLCMTSA-N 0 0 210.298 2.866 10 30 BFEERN CCc1noc(C)c1NC(=O)N1C[C@H]2CCC[C@@H]21 ZINC000328874277 386639149 /nfs/dbraw/zinc/63/91/49/386639149.db2.gz ZCZXKHWEXRDZEX-KOLCDFICSA-N 0 0 249.314 2.575 10 30 BFEERN CCC[C@@H]1C[C@@H]1NC(=O)[C@H]1CCCC(=O)N1 ZINC000328899015 386643687 /nfs/dbraw/zinc/64/36/87/386643687.db2.gz YLUSOWBSPGMSOM-BBBLOLIVSA-N 0 0 224.304 2.641 10 30 BFEERN CCOC(=O)c1cccc(C(F)(F)F)c1C#N ZINC000575345338 386709596 /nfs/dbraw/zinc/70/95/96/386709596.db2.gz SFADBLBAHQUGKO-UHFFFAOYSA-N 0 0 243.184 2.754 10 30 BFEERN N#CCc1cc(F)c(F)c(C(F)F)c1 ZINC000307497221 386690005 /nfs/dbraw/zinc/69/00/05/386690005.db2.gz GKFMXIBSDZQIEW-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN CCOC(=O)c1c(C)c(C(F)F)ccc1C#N ZINC000575343593 386691939 /nfs/dbraw/zinc/69/19/39/386691939.db2.gz MZCMSCGDLUNYSL-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)Cc1ccc(C(F)F)c(C#N)c1C ZINC000575343970 386692267 /nfs/dbraw/zinc/69/22/67/386692267.db2.gz LBGALEXNPKYDIW-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN CC(C)(CO)S[C@H]1CCCC[C@@H]1C#N ZINC000307570675 386733052 /nfs/dbraw/zinc/73/30/52/386733052.db2.gz DPRNAIYOXNZQCP-ZJUUUORDSA-N 0 0 213.346 2.573 10 30 BFEERN N#CCc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000575345706 386713953 /nfs/dbraw/zinc/71/39/53/386713953.db2.gz QXNNKWWNQLMWSZ-UHFFFAOYSA-N 0 0 246.144 2.559 10 30 BFEERN C=CC[S@@](=O)c1nc2ccccc2s1 ZINC000045236211 386745719 /nfs/dbraw/zinc/74/57/19/386745719.db2.gz AQLIRLLECJXLJR-AWEZNQCLSA-N 0 0 223.322 2.590 10 30 BFEERN N#C[C@]1(NCc2ccccc2)C[C@H]2C=C[C@@H]1C2 ZINC000575453348 386808950 /nfs/dbraw/zinc/80/89/50/386808950.db2.gz FCZGYQQEVSPHGB-RRFJBIMHSA-N 0 0 224.307 2.635 10 30 BFEERN CCOC(=O)Cc1cc(C#N)c(CC)cc1CC ZINC000575385319 386943292 /nfs/dbraw/zinc/94/32/92/386943292.db2.gz KQDMAMAQFSXDNP-UHFFFAOYSA-N 0 0 245.322 2.789 10 30 BFEERN CCOC(=O)c1ccc(CC)c(C#N)c1CC ZINC000575385621 386945568 /nfs/dbraw/zinc/94/55/68/386945568.db2.gz VABZHPLMFULIJG-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN Cc1nnc(N[C@H](C)c2ccco2)c(C#N)c1C ZINC000040217347 386952505 /nfs/dbraw/zinc/95/25/05/386952505.db2.gz ZLWMKAHNLQMECQ-SNVBAGLBSA-N 0 0 242.282 2.731 10 30 BFEERN CCOC(=O)Cc1c(C#N)ccc(C)c1CC ZINC000575389043 386953331 /nfs/dbraw/zinc/95/33/31/386953331.db2.gz SNECCFQMVFCILD-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOC(=O)c1cc(C(F)F)c(C#N)cc1F ZINC000575389433 386953403 /nfs/dbraw/zinc/95/34/03/386953403.db2.gz HXYFOMKBYDVQEQ-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)Cc1cc(C)c(C#N)c(CC)c1 ZINC000575388950 386953587 /nfs/dbraw/zinc/95/35/87/386953587.db2.gz MUYXHFAXVFPXAN-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1c(C(=O)OC)ccc(C(F)F)c1C#N ZINC000575389718 386954053 /nfs/dbraw/zinc/95/40/53/386954053.db2.gz LYEXMUAMSMRILQ-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN COC(=O)c1cc(C(F)(F)F)cc(C#N)c1C ZINC000575395198 386997258 /nfs/dbraw/zinc/99/72/58/386997258.db2.gz ROGHWDAPJSVQGB-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN CCc1cc(OC(F)F)cc(CC#N)c1O ZINC000575655467 387039471 /nfs/dbraw/zinc/03/94/71/387039471.db2.gz OHDSTQHCHIKLRY-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCOc1c(C#N)ccc(C)c1OC(F)F ZINC000575655757 387039508 /nfs/dbraw/zinc/03/95/08/387039508.db2.gz AWUQILDJZZXJIL-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCc1cc(O)c(OC(F)F)c(CC#N)c1 ZINC000575655329 387040107 /nfs/dbraw/zinc/04/01/07/387040107.db2.gz LQLDZMZLRZMFSA-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCOc1cc(C#N)cc(C)c1OC(F)F ZINC000575656561 387042442 /nfs/dbraw/zinc/04/24/42/387042442.db2.gz IKQUJXBNPAUAQG-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1c(F)cc(C#N)cc1OC(F)F ZINC000575656653 387042688 /nfs/dbraw/zinc/04/26/88/387042688.db2.gz RKASEJOPXUGFGD-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1cc(F)cc(C#N)c1OC(F)F ZINC000575657294 387044176 /nfs/dbraw/zinc/04/41/76/387044176.db2.gz UBZTWBQQMOIQRS-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCc1c(CC#N)cc(OC(F)F)cc1OC ZINC000575657775 387044502 /nfs/dbraw/zinc/04/45/02/387044502.db2.gz OWNJRWPPGUDRIE-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1ccc(C#N)c(OC(F)F)c1C ZINC000575658224 387045144 /nfs/dbraw/zinc/04/51/44/387045144.db2.gz RKMQAJGSQIFQAY-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1cc(C)c(OC(F)F)cc1C#N ZINC000575659188 387049891 /nfs/dbraw/zinc/04/98/91/387049891.db2.gz ZVMWJKRBMKDFRN-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN Cc1cc(F)c(C#N)cc1OC(F)F ZINC000575660981 387050623 /nfs/dbraw/zinc/05/06/23/387050623.db2.gz FQZNJPVPEXGSCF-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN COc1ccc(CC#N)c(F)c1OC(F)F ZINC000575660653 387050694 /nfs/dbraw/zinc/05/06/94/387050694.db2.gz WHIKYSUWWUJRMB-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN COc1c(F)c(OC(F)F)ccc1CC#N ZINC000575659727 387052216 /nfs/dbraw/zinc/05/22/16/387052216.db2.gz JXFCYHMAYWZFDE-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN C[C@H](CC#N)NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248621200 387009787 /nfs/dbraw/zinc/00/97/87/387009787.db2.gz YBSSVBPIVINWBG-IJLUTSLNSA-N 0 0 236.359 2.867 10 30 BFEERN C=C1CCCN(C(=O)NCc2ccccc2)C1 ZINC000575468711 387087245 /nfs/dbraw/zinc/08/72/45/387087245.db2.gz XXSPZEMYADRITB-UHFFFAOYSA-N 0 0 230.311 2.548 10 30 BFEERN Cc1ccc(OC(F)F)c(C#N)c1F ZINC000575661708 387112164 /nfs/dbraw/zinc/11/21/64/387112164.db2.gz UXDYJJIKWDXRAB-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN N#C[C@@]1(c2ccccc2Cl)CCOC1 ZINC000238504053 387157603 /nfs/dbraw/zinc/15/76/03/387157603.db2.gz RCCBBDHKDKLDLI-NSHDSACASA-N 0 0 207.660 2.522 10 30 BFEERN CN[C@@H](C#N)c1cc2cscc2s1 ZINC000575478581 387163386 /nfs/dbraw/zinc/16/33/86/387163386.db2.gz IBSFYNSUHWRIRT-ZETCQYMHSA-N 0 0 208.311 2.747 10 30 BFEERN Cc1c(F)cc(C#N)cc1OC(F)F ZINC000575661983 387164919 /nfs/dbraw/zinc/16/49/19/387164919.db2.gz YDNGBYZTXANLBJ-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN CCOc1cc(CC#N)c(C(F)F)cc1O ZINC000575665726 387311205 /nfs/dbraw/zinc/31/12/05/387311205.db2.gz GYYOHXVNBYSZPU-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN COc1c(C)cc(CC#N)cc1OC(F)F ZINC000575665781 387313583 /nfs/dbraw/zinc/31/35/83/387313583.db2.gz UGWBRBUNXADBKC-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN C=CC[C@H](C(=O)N[C@H]1C[C@@H]1C)c1ccccc1 ZINC000189063396 387275365 /nfs/dbraw/zinc/27/53/65/387275365.db2.gz SXWNSXBOHIFSOU-UBHSHLNASA-N 0 0 229.323 2.871 10 30 BFEERN SCCc1csc(-c2cccnc2)n1 ZINC000259383135 387302845 /nfs/dbraw/zinc/30/28/45/387302845.db2.gz SAEWYQJHPFNPMI-UHFFFAOYSA-N 0 0 222.338 2.677 10 30 BFEERN N#CCc1cc(Br)c(Cl)cc1O ZINC000575675454 387358239 /nfs/dbraw/zinc/35/82/39/387358239.db2.gz JXIXYXLAUMONSP-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN N#Cc1ccn(C[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000575601459 387358829 /nfs/dbraw/zinc/35/88/29/387358829.db2.gz AZHXKARKWMZQKQ-GXTWGEPZSA-N 0 0 223.279 2.558 10 30 BFEERN N#Cc1ccn(C[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000575601463 387360170 /nfs/dbraw/zinc/36/01/70/387360170.db2.gz AZHXKARKWMZQKQ-TZMCWYRMSA-N 0 0 223.279 2.558 10 30 BFEERN CCOc1cc(O)c(C(F)F)c(CC#N)c1 ZINC000575667677 387323632 /nfs/dbraw/zinc/32/36/32/387323632.db2.gz UGADTLFLARTDKC-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN CCOc1cc(C#N)cc(F)c1OC(F)(F)F ZINC000575669838 387330670 /nfs/dbraw/zinc/33/06/70/387330670.db2.gz AKXQRALOMXTMOV-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN C[C@H]1CCC[C@@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575497487 387330862 /nfs/dbraw/zinc/33/08/62/387330862.db2.gz VSCIMNRIDPQYEI-GXFFZTMASA-N 0 0 238.331 2.984 10 30 BFEERN CCOc1cc(OC(F)(F)F)c(C#N)cc1F ZINC000575671422 387334891 /nfs/dbraw/zinc/33/48/91/387334891.db2.gz XRQKHQDKHQHUSE-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN COc1cc(C#N)cc(OC)c1C(F)(F)F ZINC000575670762 387335711 /nfs/dbraw/zinc/33/57/11/387335711.db2.gz AORIFSLJDSUPEV-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN CCc1cc(O)c(C#N)c(C(F)(F)F)c1 ZINC000575672869 387339438 /nfs/dbraw/zinc/33/94/38/387339438.db2.gz RGZGYEYOTASBQX-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN COc1cc(OC)c(C#N)c(C(F)(F)F)c1 ZINC000575671978 387340898 /nfs/dbraw/zinc/34/08/98/387340898.db2.gz SUHBBLNJQZFLDW-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN O=C(/C=C/Cl)c1cc(F)ccc1F ZINC000575501326 387352100 /nfs/dbraw/zinc/35/21/00/387352100.db2.gz JZEAUWVMVBIOSH-ONEGZZNKSA-N 0 0 202.587 2.900 10 30 BFEERN CCc1ccc(N)c(C(F)(F)F)c1CC#N ZINC000575718960 387428656 /nfs/dbraw/zinc/42/86/56/387428656.db2.gz RXCKGALNCUIURC-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN N#CCc1cc(N)c(Cl)cc1Br ZINC000575715016 387428745 /nfs/dbraw/zinc/42/87/45/387428745.db2.gz XJYORPSNYJXOLL-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN N#CCc1c(N)cc(Cl)cc1OC(F)F ZINC000575715133 387429369 /nfs/dbraw/zinc/42/93/69/387429369.db2.gz SUVFBYSAYFGFNX-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN O=C(/C=C/Cl)c1ccoc1Br ZINC000575518288 387435944 /nfs/dbraw/zinc/43/59/44/387435944.db2.gz YRDNJDPCLWWQOI-HNQUOIGGSA-N 0 0 235.464 2.977 10 30 BFEERN CCOc1c(CC#N)cc(N)cc1C(F)(F)F ZINC000575717631 387436108 /nfs/dbraw/zinc/43/61/08/387436108.db2.gz JRVCYOCGEYLONZ-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN N#CCc1ccc(N)c(Br)c1Cl ZINC000575714379 387409433 /nfs/dbraw/zinc/40/94/33/387409433.db2.gz MZZCOXHGWLNAGW-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN COc1cc(CC#N)c(SC)cc1F ZINC000575708254 387412051 /nfs/dbraw/zinc/41/20/51/387412051.db2.gz LRTWRFKJRMYXLD-UHFFFAOYSA-N 0 0 211.261 2.622 10 30 BFEERN N#CCc1c(Cl)c(N)ccc1OC(F)F ZINC000575714553 387414936 /nfs/dbraw/zinc/41/49/36/387414936.db2.gz LDZLGYHNHCYYAO-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN CCc1cc(N)c(CC#N)c(Br)c1 ZINC000575713975 387419351 /nfs/dbraw/zinc/41/93/51/387419351.db2.gz HOPOXYRJUSLFFO-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN C/C=C/C(=O)c1ccc(Br)cn1 ZINC000575549301 387647788 /nfs/dbraw/zinc/64/77/88/387647788.db2.gz HYWSRTPESQOHSF-NSCUHMNNSA-N 0 0 226.073 2.603 10 30 BFEERN CCc1cc(OC(F)F)cc(CC#N)c1C#N ZINC000575639106 387835155 /nfs/dbraw/zinc/83/51/55/387835155.db2.gz CVXHXUQVBMVKAH-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN CCc1cc(C#N)cc(CC#N)c1OC(F)F ZINC000575641045 387840603 /nfs/dbraw/zinc/84/06/03/387840603.db2.gz SSWFIEFJCHXPDI-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN CCOc1cc(CC#N)c(C#N)cc1C(F)F ZINC000575639791 387840760 /nfs/dbraw/zinc/84/07/60/387840760.db2.gz BPXBSDUZJARSFU-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN CCc1cc(CC#N)c(OC(F)F)cc1C#N ZINC000575641184 387841008 /nfs/dbraw/zinc/84/10/08/387841008.db2.gz VNEBJMUJCKZPQG-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN COc1cc(CC#N)c(C(F)F)cc1C#N ZINC000575642592 387844243 /nfs/dbraw/zinc/84/42/43/387844243.db2.gz DRDSJCDKKWWOGA-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN CCOc1c(C#N)cc(CC#N)cc1CC ZINC000575642508 387844258 /nfs/dbraw/zinc/84/42/58/387844258.db2.gz DTQMXESFAKJRBL-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN Cc1cc(C#N)c(OC(F)F)c(CC#N)c1 ZINC000575642105 387846378 /nfs/dbraw/zinc/84/63/78/387846378.db2.gz XEZIAAAYOHRDOW-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN C=C(Br)C[C@H](C#N)c1cccnc1 ZINC000015042664 387850012 /nfs/dbraw/zinc/85/00/12/387850012.db2.gz YXBBAPOCHWTZHH-SNVBAGLBSA-N 0 0 237.100 2.987 10 30 BFEERN COc1cc(C(F)F)cc(CC#N)c1C#N ZINC000575643237 387854355 /nfs/dbraw/zinc/85/43/55/387854355.db2.gz MNORPJDWSAPAIA-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN COc1cc(CC#N)cc(C(F)F)c1C#N ZINC000575643324 387862262 /nfs/dbraw/zinc/86/22/62/387862262.db2.gz PHBASXWXNVSNHV-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN CCOc1cc(CC)c(C#N)c(CC#N)c1 ZINC000575644064 387870496 /nfs/dbraw/zinc/87/04/96/387870496.db2.gz VANWOEQCBLDUCO-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN N#CCc1cc(C(F)(F)F)cc(F)c1C#N ZINC000575648203 387893412 /nfs/dbraw/zinc/89/34/12/387893412.db2.gz PBZLKLHVHBVOKD-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN CCc1c(C#N)ccc(OC(F)F)c1F ZINC000575653416 387896477 /nfs/dbraw/zinc/89/64/77/387896477.db2.gz GTMOIAILDHWCTK-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1cc(CC#N)c(O)c(OC(F)F)c1 ZINC000575654442 387897218 /nfs/dbraw/zinc/89/72/18/387897218.db2.gz CUYGWUICPIQHFU-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN CCOc1ccc(F)c(OC(F)F)c1C#N ZINC000575654560 387897633 /nfs/dbraw/zinc/89/76/33/387897633.db2.gz BEAGIIHCMMRWNW-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCc1c(F)cc(C#N)cc1OC(F)F ZINC000575654188 387897821 /nfs/dbraw/zinc/89/78/21/387897821.db2.gz WQVVBKWYIYQQBN-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN COc1c(C#N)cc(C(F)(F)F)cc1CC#N ZINC000575644745 387876104 /nfs/dbraw/zinc/87/61/04/387876104.db2.gz AQORUOZIWQWEGD-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN N#CCc1cc(F)cc(C#N)c1C(F)(F)F ZINC000575646784 387882089 /nfs/dbraw/zinc/88/20/89/387882089.db2.gz JRMGZDGPJHNXJW-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN N#CCc1c(F)ccc(C#N)c1C(F)(F)F ZINC000575647599 387884041 /nfs/dbraw/zinc/88/40/41/387884041.db2.gz LOBIVOGFTHXDHM-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN Cc1ccc(OC(F)F)c(C)c1CC#N ZINC000575652493 387900712 /nfs/dbraw/zinc/90/07/12/387900712.db2.gz HJLPFXLHQGPFCK-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN C=C(Cl)CN[C@H]1CCc2c1cccc2O ZINC000167738703 388256323 /nfs/dbraw/zinc/25/63/23/388256323.db2.gz LYEMCFGFXHIUKD-NSHDSACASA-N 0 0 223.703 2.722 10 30 BFEERN C[C@H]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000461962611 388263368 /nfs/dbraw/zinc/26/33/68/388263368.db2.gz DGPJXHLCRGBAMB-ZDEQEGDKSA-N 0 0 249.358 2.557 10 30 BFEERN C[C@H]1CCC[C@@H]1C(=O)N1CCC(C)(C#N)CC1 ZINC000230176681 388364020 /nfs/dbraw/zinc/36/40/20/388364020.db2.gz POTBDSMIWQLRAI-RYUDHWBXSA-N 0 0 234.343 2.575 10 30 BFEERN C[C@H]1OCC[C@H]1Nc1c(Cl)cccc1C#N ZINC000270826707 388368027 /nfs/dbraw/zinc/36/80/27/388368027.db2.gz ZWJISPBKMSVPGW-LDYMZIIASA-N 0 0 236.702 2.801 10 30 BFEERN C[C@H]1OCC[C@@H]1Nc1cc(Cl)ccc1C#N ZINC000134382999 388398279 /nfs/dbraw/zinc/39/82/79/388398279.db2.gz SYRMXYRVIFWIQV-KCJUWKMLSA-N 0 0 236.702 2.801 10 30 BFEERN CCOC(=O)Cc1cc(CC)c(C)cc1C#N ZINC000575388749 388471642 /nfs/dbraw/zinc/47/16/42/388471642.db2.gz CAWNRBPCZSQMTN-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CC[C@H](CC(C)C)C(=O)N[C@H]1CCC[C@H]1C#N ZINC000308086734 388431439 /nfs/dbraw/zinc/43/14/39/388431439.db2.gz JHRKLLSIMQUWAL-AGIUHOORSA-N 0 0 236.359 2.867 10 30 BFEERN CC[C@H](CC(C)C)C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000308086736 388431791 /nfs/dbraw/zinc/43/17/91/388431791.db2.gz JHRKLLSIMQUWAL-JHJVBQTASA-N 0 0 236.359 2.867 10 30 BFEERN C[C@@H](Nc1ccc(F)cc1C#N)[C@@H]1CCCO1 ZINC000112636010 388667963 /nfs/dbraw/zinc/66/79/63/388667963.db2.gz GMWBPHDVEHZDMI-RNCFNFMXSA-N 0 0 234.274 2.677 10 30 BFEERN C[C@@H](Nc1ccc(F)cc1C#N)[C@H]1CCCO1 ZINC000112636013 388668450 /nfs/dbraw/zinc/66/84/50/388668450.db2.gz GMWBPHDVEHZDMI-NOZJJQNGSA-N 0 0 234.274 2.677 10 30 BFEERN C[C@@H](CC1CC1)NC(=O)c1sccc1C#N ZINC000112608932 388668526 /nfs/dbraw/zinc/66/85/26/388668526.db2.gz MSBDGVOLWVJCEU-QMMMGPOBSA-N 0 0 234.324 2.538 10 30 BFEERN C[C@H](C#N)CNC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000248527987 388681982 /nfs/dbraw/zinc/68/19/82/388681982.db2.gz DGVBTJPTXPZASM-UTUOFQBUSA-N 0 0 236.359 2.725 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)Nc1ccccc1C#N ZINC000230042366 388632335 /nfs/dbraw/zinc/63/23/35/388632335.db2.gz PWKUMRDOIWARRR-ZYHUDNBSSA-N 0 0 228.295 2.933 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)N(C)c1cccc(C#N)c1 ZINC000230057083 388632435 /nfs/dbraw/zinc/63/24/35/388632435.db2.gz UWQOKKPYAKDJQO-RISCZKNCSA-N 0 0 242.322 2.957 10 30 BFEERN N#Cc1ccccc1C1(O)CCCCC1 ZINC000260765701 388728878 /nfs/dbraw/zinc/72/88/78/388728878.db2.gz REHAHEDIWHCDJZ-UHFFFAOYSA-N 0 0 201.269 2.710 10 30 BFEERN C[C@@H](Nc1ccc(C#N)cc1F)[C@H]1CCCO1 ZINC000037412634 388770601 /nfs/dbraw/zinc/77/06/01/388770601.db2.gz VNZAKPQCRLZYIA-NOZJJQNGSA-N 0 0 234.274 2.677 10 30 BFEERN Cc1cccc(C#N)c1SC(=O)N(C)C ZINC000095829645 388787028 /nfs/dbraw/zinc/78/70/28/388787028.db2.gz FDERNKXTWIAHLD-UHFFFAOYSA-N 0 0 220.297 2.640 10 30 BFEERN Cc1cc(/N=C/c2ccc(N(C)C)cc2)no1 ZINC000003159999 177700760 /nfs/dbraw/zinc/70/07/60/177700760.db2.gz WBLALHVDBAPDHX-NTEUORMPSA-N 0 0 229.283 2.800 10 30 BFEERN Cc1cc(NC[C@H]2CCCS2)c(C#N)c(C)n1 ZINC000157463420 388835980 /nfs/dbraw/zinc/83/59/80/388835980.db2.gz ULIUYPZBKYMGPI-LLVKDONJSA-N 0 0 247.367 2.878 10 30 BFEERN Cc1cc(Br)c(Cl)c(C#N)c1N ZINC000575465684 388836809 /nfs/dbraw/zinc/83/68/09/388836809.db2.gz SBDDKFNSPBVGBZ-UHFFFAOYSA-N 0 0 245.507 2.865 10 30 BFEERN Cc1ccccc1C=Nc1ccc(C(N)=O)cc1 ZINC000254589262 388838001 /nfs/dbraw/zinc/83/80/01/388838001.db2.gz KZZOGXFIFPSRRV-UHFFFAOYSA-N 0 0 238.290 2.845 10 30 BFEERN COC(=O)Cc1cc(C)cc(C#N)c1C(F)F ZINC000575344173 388841764 /nfs/dbraw/zinc/84/17/64/388841764.db2.gz SMKHUQXXUFFBCT-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN N#Cc1ccc(C(=O)C(F)(F)C(F)F)cc1F ZINC000575361942 388880547 /nfs/dbraw/zinc/88/05/47/388880547.db2.gz SMHSGHQVKGVVID-UHFFFAOYSA-N 0 0 249.138 2.780 10 30 BFEERN CC(C)(C)OC(=O)N[C@@]1(C#N)CCC1(C)C ZINC000575497440 388981319 /nfs/dbraw/zinc/98/13/19/388981319.db2.gz XVAHQROKXQUXRF-GFCCVEGCSA-N 0 0 224.304 2.593 10 30 BFEERN C=C(C)CN(C)c1nnc(CCC)s1 ZINC000302073972 533496451 /nfs/dbraw/zinc/49/64/51/533496451.db2.gz WZEZRNAYMFNOAI-UHFFFAOYSA-N 0 0 211.334 2.503 10 30 BFEERN CC(C)C[C@H]1CCCCN1c1nccc(C#N)n1 ZINC000297456297 132221503 /nfs/dbraw/zinc/22/15/03/132221503.db2.gz JSYLZZZYBORESC-CYBMUJFWSA-N 0 0 244.342 2.753 10 30 BFEERN Cc1ccc(N2CCS[C@@H](C)[C@@H]2C)nc1C#N ZINC000302656109 132265318 /nfs/dbraw/zinc/26/53/18/132265318.db2.gz OAHLWZIYKOHBIB-QWRGUYRKSA-N 0 0 247.367 2.592 10 30 BFEERN Cc1ccc(N2CCS[C@@H](C)[C@H]2C)nc1C#N ZINC000302656107 132265325 /nfs/dbraw/zinc/26/53/25/132265325.db2.gz OAHLWZIYKOHBIB-MNOVXSKESA-N 0 0 247.367 2.592 10 30 BFEERN Cc1ccc(N2CCS[C@H](C)[C@@H]2C)nc1C#N ZINC000302656111 132265327 /nfs/dbraw/zinc/26/53/27/132265327.db2.gz OAHLWZIYKOHBIB-WDEREUQCSA-N 0 0 247.367 2.592 10 30 BFEERN C[C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000020076112 132329640 /nfs/dbraw/zinc/32/96/40/132329640.db2.gz GOJMBOQWZPJMQP-LLVKDONJSA-N 0 0 200.285 2.795 10 30 BFEERN CCO[C@@H]1CCCN(c2ccccc2C#N)C1 ZINC000042425030 132351724 /nfs/dbraw/zinc/35/17/24/132351724.db2.gz WOOGJEPDOQFLEV-CYBMUJFWSA-N 0 0 230.311 2.564 10 30 BFEERN N#Cc1c(Cl)cccc1N1CCCC[C@@H]1C=O ZINC000054268111 132363802 /nfs/dbraw/zinc/36/38/02/132363802.db2.gz KCWVPEVCLQNYQU-SNVBAGLBSA-N 0 0 248.713 2.769 10 30 BFEERN O=CC1CCN(c2ccc3ccccc3n2)CC1 ZINC000054268440 132363906 /nfs/dbraw/zinc/36/39/06/132363906.db2.gz AHGFZJUVXHKNSO-UHFFFAOYSA-N 0 0 240.306 2.650 10 30 BFEERN N#Cc1ccc(N2CCC[C@@H](C=O)C2)c(Cl)c1 ZINC000062791699 132388347 /nfs/dbraw/zinc/38/83/47/132388347.db2.gz SRKCPIFNXYKXEK-LLVKDONJSA-N 0 0 248.713 2.627 10 30 BFEERN N#Cc1ccc(Cl)cc1N1CCCC[C@H]1C=O ZINC000062786619 132388835 /nfs/dbraw/zinc/38/88/35/132388835.db2.gz HCWHYUDFYBAOEU-LBPRGKRZSA-N 0 0 248.713 2.769 10 30 BFEERN C[C@H]1C[C@@H]1Nc1cc(C#N)c2ccccc2n1 ZINC000069052392 133531313 /nfs/dbraw/zinc/53/13/13/133531313.db2.gz ZWBNSVMLPDITBH-ZANVPECISA-N 0 0 223.279 2.927 10 30 BFEERN C[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1ccon1 ZINC000330174434 133997810 /nfs/dbraw/zinc/99/78/10/133997810.db2.gz ZCABRNSAIHIJJA-LPEHRKFASA-N 0 0 238.287 2.507 10 30 BFEERN O=C(C[C@@H]1C=CCCC1)N[C@@H]1CCCNC1=O ZINC000330258282 133999160 /nfs/dbraw/zinc/99/91/60/133999160.db2.gz MIDOOWBQSIYAJD-GHMZBOCLSA-N 0 0 236.315 2.808 10 30 BFEERN N#CC1(C(=O)N2C[C@@H]3CCCCC[C@H]32)CCCC1 ZINC000370244748 134225103 /nfs/dbraw/zinc/22/51/03/134225103.db2.gz RCAHXLVMYUFNRX-QWHCGFSZSA-N 0 0 246.354 2.861 10 30 BFEERN C[C@@]1(Nc2cccc(F)c2C#N)CCCOC1 ZINC000221179564 134316961 /nfs/dbraw/zinc/31/69/61/134316961.db2.gz QHWQBEQHHGDCCZ-CYBMUJFWSA-N 0 0 234.274 2.678 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1Nc1ncnc2ccsc21 ZINC000408103379 134392747 /nfs/dbraw/zinc/39/27/47/134392747.db2.gz AIZXYDSNZYMZNM-IUCAKERBSA-N 0 0 244.323 2.795 10 30 BFEERN CO[C@H]1CC[C@H](Nc2cc(C)nc(C)c2C#N)C1 ZINC000231682110 134543197 /nfs/dbraw/zinc/54/31/97/134543197.db2.gz BKADPPVLXZFVNJ-RYUDHWBXSA-N 0 0 245.326 2.550 10 30 BFEERN CC(C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232598939 134554118 /nfs/dbraw/zinc/55/41/18/134554118.db2.gz NGELZVCFHSCBIL-SECBINFHSA-N 0 0 248.286 2.708 10 30 BFEERN CC#CCN1CC2(CCOCC2)c2ccccc21 ZINC000192280572 134583371 /nfs/dbraw/zinc/58/33/71/134583371.db2.gz IVAIXIDLVFKPPX-UHFFFAOYSA-N 0 0 241.334 2.578 10 30 BFEERN C[C@H](C#N)N1CCC2(CCCCC2)CC1 ZINC000061819910 134802927 /nfs/dbraw/zinc/80/29/27/134802927.db2.gz KSDUBXFUEUNFSS-GFCCVEGCSA-N 0 0 206.333 2.945 10 30 BFEERN Cc1cccc(NC(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000061889339 134804349 /nfs/dbraw/zinc/80/43/49/134804349.db2.gz QLFSZDIFLRIMCL-DGCLKSJQSA-N 0 0 243.310 2.809 10 30 BFEERN Cc1cc(CN[C@H]2CCC[C@H]2C#N)ccc1F ZINC000061892573 134804719 /nfs/dbraw/zinc/80/47/19/134804719.db2.gz RWISAHXAESKNAM-JSGCOSHPSA-N 0 0 232.302 2.916 10 30 BFEERN CC#CCCN1C[C@H](C)O[C@@H](c2ccccc2)C1 ZINC000248388356 135002180 /nfs/dbraw/zinc/00/21/80/135002180.db2.gz DOPRJTHNLUTSLH-GOEBONIOSA-N 0 0 243.350 2.862 10 30 BFEERN CCC1CCC(NC(=O)C2(C#N)CCC2)CC1 ZINC000083795145 135456600 /nfs/dbraw/zinc/45/66/00/135456600.db2.gz FNKGGVRAJUBIFG-UHFFFAOYSA-N 0 0 234.343 2.765 10 30 BFEERN CCCn1ccc(CN[C@H]2CCC[C@H]2C#N)c1 ZINC000091015749 135558799 /nfs/dbraw/zinc/55/87/99/135558799.db2.gz STFVUFFPWQXSCI-KBPBESRZSA-N 0 0 231.343 2.680 10 30 BFEERN Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C#N)cc1F ZINC000061889150 135563194 /nfs/dbraw/zinc/56/31/94/135563194.db2.gz IIMXRPPJGHOZBM-AAEUAGOBSA-N 0 0 246.285 2.556 10 30 BFEERN Cc1cc(F)ccc1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000135351064 135569508 /nfs/dbraw/zinc/56/95/08/135569508.db2.gz NHAZSOISJFGHSB-ZWNOBZJWSA-N 0 0 246.285 2.556 10 30 BFEERN CC(C)c1noc([C@@]2(C#N)CC23CCCC3)n1 ZINC000335160449 135923550 /nfs/dbraw/zinc/92/35/50/135923550.db2.gz XIEYSUQWJVXYIO-ZDUSSCGKSA-N 0 0 231.299 2.918 10 30 BFEERN CC(C)CCOCc1ccccc1C#CCO ZINC000049620651 166877039 /nfs/dbraw/zinc/87/70/39/166877039.db2.gz MTXKHZARDIXIHJ-UHFFFAOYSA-N 0 0 232.323 2.593 10 30 BFEERN COc1ccc2c(cccc2OC[C@@H]2CO2)c1 ZINC000196144959 397951680 /nfs/dbraw/zinc/95/16/80/397951680.db2.gz CSQLSHSSJOWZJM-LBPRGKRZSA-N 0 0 230.263 2.626 10 30 BFEERN C=C(c1cnc[nH]c1=S)C(F)(F)F ZINC000307154226 397990256 /nfs/dbraw/zinc/99/02/56/397990256.db2.gz KPLXTYXEXJFASE-UHFFFAOYSA-N 0 0 206.192 2.715 10 30 BFEERN Cc1ccc(C(=O)C2=COCC2)c(F)c1 ZINC000307175748 398004866 /nfs/dbraw/zinc/00/48/66/398004866.db2.gz WWIHUHRROZWUND-UHFFFAOYSA-N 0 0 206.216 2.621 10 30 BFEERN CCc1cc(CC#N)c(OC)c(OC(F)F)c1 ZINC000575656668 398038005 /nfs/dbraw/zinc/03/80/05/398038005.db2.gz IOOPCAYQHMQXFY-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1cc(OC(F)F)cc(CC#N)c1F ZINC000575657233 398039687 /nfs/dbraw/zinc/03/96/87/398039687.db2.gz RCVQWHWUFJKGDA-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN C=C(C#Cc1ccc(Cl)cc1)COC ZINC000584616372 398078485 /nfs/dbraw/zinc/07/84/85/398078485.db2.gz HGVFZQDGRRWFJA-UHFFFAOYSA-N 0 0 206.672 2.894 10 30 BFEERN C=C[C@](CO)(c1ccc(OC)cc1)C(F)(F)F ZINC000584623324 398078973 /nfs/dbraw/zinc/07/89/73/398078973.db2.gz HASOQIBZYIOUAA-NSHDSACASA-N 0 0 246.228 2.674 10 30 BFEERN Cc1cc(F)ccc1CN[C@@H]1CCC[C@@H]1C#N ZINC000061892566 398107653 /nfs/dbraw/zinc/10/76/53/398107653.db2.gz LYZDCPLCVPPSPX-BXUZGUMPSA-N 0 0 232.302 2.916 10 30 BFEERN CCOc1ccccc1CN[C@@H]1CCC[C@H]1C#N ZINC000061891061 398108241 /nfs/dbraw/zinc/10/82/41/398108241.db2.gz ZMTGZNHCPROFFW-GXTWGEPZSA-N 0 0 244.338 2.867 10 30 BFEERN CC(C)N[C@@H](C#N)c1ccc(F)c(F)c1 ZINC000034973844 167130544 /nfs/dbraw/zinc/13/05/44/167130544.db2.gz UZHZHOJACUSCSE-NSHDSACASA-N 0 0 210.227 2.527 10 30 BFEERN CSCC[C@@H](C#N)NC1CCCCC1 ZINC000037969570 175501536 /nfs/dbraw/zinc/50/15/36/175501536.db2.gz DXCXJIDUUHEPEG-NSHDSACASA-N 0 0 212.362 2.554 10 30 BFEERN C#CCCOc1ccccc1C(=O)CC ZINC000019514562 166150331 /nfs/dbraw/zinc/15/03/31/166150331.db2.gz BQYVFRYTMYIZHL-UHFFFAOYSA-N 0 0 202.253 2.681 10 30 BFEERN Cc1cncc(C#Cc2ccc(F)cc2)c1 ZINC000116292253 409667191 /nfs/dbraw/zinc/66/71/91/409667191.db2.gz IHZJSEHZEXWVEW-UHFFFAOYSA-N 0 0 211.239 2.929 10 30 BFEERN C#CCOc1c2ccccc2ccc1[C@@H](C)O ZINC000035628058 166197987 /nfs/dbraw/zinc/19/79/87/166197987.db2.gz KANFEKYKRRYSKO-LLVKDONJSA-N 0 0 226.275 2.905 10 30 BFEERN C#C[C@@](CC)(OCOC)c1ccccc1 ZINC000222922774 166213613 /nfs/dbraw/zinc/21/36/13/166213613.db2.gz ZBJGXOLSTBEJLJ-ZDUSSCGKSA-N 0 0 204.269 2.546 10 30 BFEERN C=CCN(C(C)=O)c1cc2c(C)c[nH]c2c(O)c1 ZINC000082308821 166314773 /nfs/dbraw/zinc/31/47/73/166314773.db2.gz ZIEAWUHXNBWXQK-UHFFFAOYSA-N 0 0 244.294 2.721 10 30 BFEERN C=CCN1N=C(/C=C\c2ccccc2)CCC1=O ZINC000033336298 166361556 /nfs/dbraw/zinc/36/15/56/166361556.db2.gz PDPWYHQARMDUBQ-HJWRWDBZSA-N 0 0 240.306 2.864 10 30 BFEERN C=CCNC1(C(=O)OC)CCC(C(C)C)CC1 ZINC000054557475 166397658 /nfs/dbraw/zinc/39/76/58/166397658.db2.gz LJFCPNGZLAPMNA-UHFFFAOYSA-N 0 0 239.359 2.520 10 30 BFEERN C=CCN[C@@H](C#N)c1cccc(Cl)c1 ZINC000020173886 166403678 /nfs/dbraw/zinc/40/36/78/166403678.db2.gz RTEMNZYDYVAIME-NSHDSACASA-N 0 0 206.676 2.680 10 30 BFEERN C=CCN[C@@H](C#N)c1cccc(C)c1C ZINC000051960334 166403834 /nfs/dbraw/zinc/40/38/34/166403834.db2.gz IFKSHFTTXZGAHH-ZDUSSCGKSA-N 0 0 200.285 2.644 10 30 BFEERN C=CC[NH2+][C@]1(C(=O)[O-])CCCC[C@H]1C(C)(C)C ZINC000041731537 166408607 /nfs/dbraw/zinc/40/86/07/166408607.db2.gz GCPXVBNYVXXVPK-SMDDNHRTSA-N 0 0 239.359 2.822 10 30 BFEERN C=CC[C@@H](C(=O)n1ccnc1)C(C)(C)C ZINC000005114271 166428853 /nfs/dbraw/zinc/42/88/53/166428853.db2.gz AKTLNVKWGKAQEE-JTQLQIEISA-N 0 0 206.289 2.762 10 30 BFEERN CC(C)(C)OC(=O)c1ccc(F)c(C#N)c1 ZINC000038284097 166675476 /nfs/dbraw/zinc/67/54/76/166675476.db2.gz GDJNBXWXPKBGEV-UHFFFAOYSA-N 0 0 221.231 2.653 10 30 BFEERN CC(C)CN(C(=O)C1(C#N)CCCC1)C(C)C ZINC000044767085 166923861 /nfs/dbraw/zinc/92/38/61/166923861.db2.gz FNQCBKNXWDOLAI-UHFFFAOYSA-N 0 0 236.359 2.963 10 30 BFEERN CC(C)N[C@@H](C#N)[C@@H](C)c1ccccc1 ZINC000041046392 167129453 /nfs/dbraw/zinc/12/94/53/167129453.db2.gz DQEXAQMMBONNEU-AAEUAGOBSA-N 0 0 202.301 2.680 10 30 BFEERN CC(C)Oc1ccc([C@@H](C#N)CC#N)cc1 ZINC000002750045 167299202 /nfs/dbraw/zinc/29/92/02/167299202.db2.gz JLIZGPDMDLCPIS-GFCCVEGCSA-N 0 0 214.268 2.995 10 30 BFEERN CC(C)[C@@H](C#N)N[C@@H](C)c1ccccc1 ZINC000057491338 167340325 /nfs/dbraw/zinc/34/03/25/167340325.db2.gz WJAKQMNUCFVBDO-WCQYABFASA-N 0 0 202.301 2.885 10 30 BFEERN CC(C)[C@@H](C)Nc1ccc(C#N)cc1N ZINC000035674440 167386109 /nfs/dbraw/zinc/38/61/09/167386109.db2.gz RDEQRBUOHSVMDJ-SECBINFHSA-N 0 0 203.289 2.597 10 30 BFEERN N#CCc1ccc([N+](=O)[O-])c(OC(F)(F)F)c1 ZINC000575345604 411264902 /nfs/dbraw/zinc/26/49/02/411264902.db2.gz DFWQPZNLXGFGOM-UHFFFAOYSA-N 0 0 246.144 2.559 10 30 BFEERN CC1=C(CC#N)C(=O)Nc2ccccc2S1 ZINC000072416387 168086948 /nfs/dbraw/zinc/08/69/48/168086948.db2.gz AFWZNHHYHXAGGI-UHFFFAOYSA-N 0 0 230.292 2.918 10 30 BFEERN CC1=CC(=O)N(O)[C@H](C2CCCCC2)C1 ZINC000071789432 168092863 /nfs/dbraw/zinc/09/28/63/168092863.db2.gz CLJFISYTVWVUGS-NSHDSACASA-N 0 0 209.289 2.503 10 30 BFEERN CC1CCC(Oc2cc(C#N)ccn2)CC1 ZINC000019804588 168168064 /nfs/dbraw/zinc/16/80/64/168168064.db2.gz FVZJKTMYIJAPEI-UHFFFAOYSA-N 0 0 216.284 2.911 10 30 BFEERN CCC(C)(C)OCc1cccc(C#CCO)c1 ZINC000049621575 168304709 /nfs/dbraw/zinc/30/47/09/168304709.db2.gz KVPGDPMTRIJGLP-UHFFFAOYSA-N 0 0 232.323 2.736 10 30 BFEERN CCN(C[C@@H](C)C#N)c1ccc(N)cc1Cl ZINC000042448180 169879215 /nfs/dbraw/zinc/87/92/15/169879215.db2.gz UXWCJBQRMCPZHH-VIFPVBQESA-N 0 0 237.734 2.908 10 30 BFEERN CCN[C@@H](C#N)c1ccc(Br)cc1 ZINC000020176207 170138209 /nfs/dbraw/zinc/13/82/09/170138209.db2.gz BHGLQIHISMXXGA-JTQLQIEISA-N 0 0 239.116 2.623 10 30 BFEERN CCN[C@@H](C#N)CCN(C)c1cc(C)cc(C)c1 ZINC000062438377 170138322 /nfs/dbraw/zinc/13/83/22/170138322.db2.gz WFKYFPXZDGUGJL-CQSZACIVSA-N 0 0 245.370 2.631 10 30 BFEERN CCN[C@@H](C#N)c1ccc(Br)s1 ZINC000041678746 170138421 /nfs/dbraw/zinc/13/84/21/170138421.db2.gz WAMSZZARSMKRTM-LURJTMIESA-N 0 0 245.145 2.685 10 30 BFEERN CCN[C@H](C#N)c1ccccc1OC(F)(F)F ZINC000020379250 170155721 /nfs/dbraw/zinc/15/57/21/170155721.db2.gz KWDAHSHSCIEZIM-SECBINFHSA-N 0 0 244.216 2.759 10 30 BFEERN CCN[C@H](C#N)CCN(C)c1cc(C)cc(C)c1 ZINC000062438375 170156047 /nfs/dbraw/zinc/15/60/47/170156047.db2.gz WFKYFPXZDGUGJL-AWEZNQCLSA-N 0 0 245.370 2.631 10 30 BFEERN CCNc1c(C#N)cnc2c(F)cc(C)cc21 ZINC000050842618 170170543 /nfs/dbraw/zinc/17/05/43/170170543.db2.gz JOASBQWMJAXEPU-UHFFFAOYSA-N 0 0 229.258 2.986 10 30 BFEERN CCNc1nc2c(cc1C#N)C[C@H](CC)CC2 ZINC000050871579 170176617 /nfs/dbraw/zinc/17/66/17/170176617.db2.gz NJTRDEIWZWJNKC-SNVBAGLBSA-N 0 0 229.327 2.900 10 30 BFEERN CCOC(=O)CS[C@H](CC#N)c1ccccc1 ZINC000055022800 170230100 /nfs/dbraw/zinc/23/01/00/170230100.db2.gz JDDBXXVYCCAVIZ-GFCCVEGCSA-N 0 0 249.335 2.938 10 30 BFEERN CCOC(=O)[C@H](C#N)c1c(F)cccc1Cl ZINC000044197767 170264030 /nfs/dbraw/zinc/26/40/30/170264030.db2.gz KIOPBGOGCNWZLD-SSDOTTSWSA-N 0 0 241.649 2.649 10 30 BFEERN CCOc1cccc(C2=CC(=O)CC2)c1 ZINC000032010051 170573617 /nfs/dbraw/zinc/57/36/17/170573617.db2.gz SEEORACTGTWJHG-UHFFFAOYSA-N 0 0 202.253 2.832 10 30 BFEERN CCOc1ccccc1[C@H](C#N)NC(C)C ZINC000020174753 170599333 /nfs/dbraw/zinc/59/93/33/170599333.db2.gz CVTSFDRYOPAZAN-LBPRGKRZSA-N 0 0 218.300 2.648 10 30 BFEERN CC[C@@H](CC#N)N(CC(F)(F)F)C(C)C ZINC000042765346 170811015 /nfs/dbraw/zinc/81/10/15/170811015.db2.gz GPZJMNYCRUXSPX-VIFPVBQESA-N 0 0 222.254 2.951 10 30 BFEERN CC[C@@H]1C[C@@H]1Nc1ccc(C#N)cc1[N+](=O)[O-] ZINC000227014126 171123000 /nfs/dbraw/zinc/12/30/00/171123000.db2.gz IAGLGPZCIXMQHJ-KOLCDFICSA-N 0 0 231.255 2.677 10 30 BFEERN CC[C@H](C#N)N(C)Cc1cccc(F)c1 ZINC000043556180 171219569 /nfs/dbraw/zinc/21/95/69/171219569.db2.gz NZHLFVHNPZKXTQ-GFCCVEGCSA-N 0 0 206.264 2.560 10 30 BFEERN CC[C@H](C#N)Oc1cc(Cl)ccc1N ZINC000051609441 171219901 /nfs/dbraw/zinc/21/99/01/171219901.db2.gz TYAAPDXBLLDYCN-MRVPVSSYSA-N 0 0 210.664 2.603 10 30 BFEERN CC[C@H](C#N)Sc1ccc(F)cc1N ZINC000043542953 171220425 /nfs/dbraw/zinc/22/04/25/171220425.db2.gz BPQQNLAODPPBIN-MRVPVSSYSA-N 0 0 210.277 2.802 10 30 BFEERN CC[C@H](C)CN(C)c1ccc(C#N)cc1N ZINC000035674701 171276120 /nfs/dbraw/zinc/27/61/20/171276120.db2.gz RZFPAIMGHQSDCA-JTQLQIEISA-N 0 0 217.316 2.623 10 30 BFEERN CC[C@H](C)N(C)C(=O)[C@@H](C#N)c1ccccc1 ZINC000061614393 171302796 /nfs/dbraw/zinc/30/27/96/171302796.db2.gz ABJQFLIJEYFXAW-AAEUAGOBSA-N 0 0 230.311 2.551 10 30 BFEERN CC[C@H](C)N(CC)c1ccc(N)cc1C#N ZINC000041020742 171312651 /nfs/dbraw/zinc/31/26/51/171312651.db2.gz SAYXVAZMGNWYQM-JTQLQIEISA-N 0 0 217.316 2.765 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1c(F)cccc1F ZINC000038064249 171346808 /nfs/dbraw/zinc/34/68/08/171346808.db2.gz FDGILULOUNJCIJ-GZMMTYOYSA-N 0 0 224.254 2.918 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1cccc(OC)c1OC ZINC000038064727 171347067 /nfs/dbraw/zinc/34/70/67/171347067.db2.gz KPQXLSNDKBZPJD-CMPLNLGQSA-N 0 0 248.326 2.657 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1ccc(NC(C)=O)cc1 ZINC000038064563 171347094 /nfs/dbraw/zinc/34/70/94/171347094.db2.gz BXPXQVWPVIMBSO-IINYFYTJSA-N 0 0 245.326 2.598 10 30 BFEERN CC[C@H](C)N[C@@](C)(C#N)CCc1ccc(O)cc1 ZINC000038064665 171347434 /nfs/dbraw/zinc/34/74/34/171347434.db2.gz MQGZVFXRGQUDOJ-SWLSCSKDSA-N 0 0 246.354 2.995 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1cccc(C#N)c1 ZINC000038064557 171347508 /nfs/dbraw/zinc/34/75/08/171347508.db2.gz OKXVPMVOZSXJEH-GXFFZTMASA-N 0 0 213.284 2.511 10 30 BFEERN CC[C@H](C)N[C@]1(C#N)CCOc2ccccc21 ZINC000038064395 171348631 /nfs/dbraw/zinc/34/86/31/171348631.db2.gz XSGNKLJESMTVRF-FZMZJTMJSA-N 0 0 230.311 2.576 10 30 BFEERN CC[C@H](C)OCCOc1ccc(CC#N)cc1 ZINC000048264644 171355722 /nfs/dbraw/zinc/35/57/22/171355722.db2.gz FLJXMMIXKNLYOJ-LBPRGKRZSA-N 0 0 233.311 2.947 10 30 BFEERN CC[C@](C)(C#N)Nc1ccc(OC)cc1 ZINC000037936603 171690420 /nfs/dbraw/zinc/69/04/20/171690420.db2.gz DQRFTMLASQWMSL-GFCCVEGCSA-N 0 0 204.273 2.799 10 30 BFEERN CCc1nc2ccccc2n1CCCC#N ZINC000057406708 172013536 /nfs/dbraw/zinc/01/35/36/172013536.db2.gz RQWBHQPMCABOAW-UHFFFAOYSA-N 0 0 213.284 2.902 10 30 BFEERN CCc1nnc(N[C@H]2C[C@@H]2CC)c(C#N)c1CC ZINC000229726654 172061532 /nfs/dbraw/zinc/06/15/32/172061532.db2.gz TWNOPONJBNCGNB-ZANVPECISA-N 0 0 244.342 2.683 10 30 BFEERN CCn1c2ccc(C)cc2nc1CS ZINC000074295637 172144157 /nfs/dbraw/zinc/14/41/57/172144157.db2.gz KBHMAJSNRPHYHR-UHFFFAOYSA-N 0 0 206.314 2.794 10 30 BFEERN CCn1c(Cl)c(/C=N/N)c2ccccc21 ZINC000097694394 172145182 /nfs/dbraw/zinc/14/51/82/172145182.db2.gz FZBGSPBXJROBLL-VGOFMYFVSA-N 0 0 221.691 2.607 10 30 BFEERN CN(C)/C=C\C(=O)c1sccc1Cl ZINC000033337161 172351214 /nfs/dbraw/zinc/35/12/14/172351214.db2.gz JDJRLADAALOSDU-HYXAFXHYSA-N 0 0 215.705 2.660 10 30 BFEERN CN(C)/C=C/C(=O)/C=C\c1ccc(Cl)cc1 ZINC000033290866 172349590 /nfs/dbraw/zinc/34/95/90/172349590.db2.gz QUKRUPURRGVIDX-RGPKZFNQSA-N 0 0 235.714 2.998 10 30 BFEERN CN(C)/C=C\C(=O)/C=C\c1ccc(Cl)cc1 ZINC000033290865 172350581 /nfs/dbraw/zinc/35/05/81/172350581.db2.gz QUKRUPURRGVIDX-IVXNCWGASA-N 0 0 235.714 2.998 10 30 BFEERN CN=CNc1ccc(Cl)cc1Cl ZINC000029475062 172957728 /nfs/dbraw/zinc/95/77/28/172957728.db2.gz NLLSDZFMWQHOJU-UHFFFAOYSA-N 0 0 203.072 2.873 10 30 BFEERN COC1=C(C(=O)C(F)(F)F)CCCC1 ZINC000034493996 174011963 /nfs/dbraw/zinc/01/19/63/174011963.db2.gz DQDMBFWSWBXMGP-UHFFFAOYSA-N 0 0 208.179 2.592 10 30 BFEERN COCCCN[C@H](C#N)c1ccc(Cl)cc1 ZINC000020174175 174250110 /nfs/dbraw/zinc/25/01/10/174250110.db2.gz GDGMIWXXOIJPHG-GFCCVEGCSA-N 0 0 238.718 2.531 10 30 BFEERN COCCCOc1cccc(Cl)c1C#N ZINC000052909131 174256916 /nfs/dbraw/zinc/25/69/16/174256916.db2.gz KONHPYCRLPPWIQ-UHFFFAOYSA-N 0 0 225.675 2.627 10 30 BFEERN COC[C@H](C)Nc1ccc(C(C)(C)C#N)cc1 ZINC000053173039 174552998 /nfs/dbraw/zinc/55/29/98/174552998.db2.gz NEXQLNSVKZPMIW-NSHDSACASA-N 0 0 232.327 2.935 10 30 BFEERN CO[C@@H]1CCC[C@H]1Nc1ccccc1C#N ZINC000050374334 174754005 /nfs/dbraw/zinc/75/40/05/174754005.db2.gz VFKBZGYAAGACSB-CHWSQXEVSA-N 0 0 216.284 2.538 10 30 BFEERN CO[C@H]1CCC[C@@H]1Nc1ccc(C#N)cc1 ZINC000050374329 174882071 /nfs/dbraw/zinc/88/20/71/174882071.db2.gz VYPRZVPOOYHFIJ-STQMWFEESA-N 0 0 216.284 2.538 10 30 BFEERN COc1cc(Cl)c(C#N)cc1Cl ZINC000105903441 174987778 /nfs/dbraw/zinc/98/77/78/174987778.db2.gz UUNFJRVRZCULIU-UHFFFAOYSA-N 0 0 202.040 2.874 10 30 BFEERN COc1cc2c(cc1OC)[C@@](C)(C#N)OC(C)=C2 ZINC000005306311 175025135 /nfs/dbraw/zinc/02/51/35/175025135.db2.gz LCVQKJUBUNZYDA-CQSZACIVSA-N 0 0 245.278 2.834 10 30 BFEERN COc1ccc(/C(C)=N/N2CCCCC2)c(O)c1 ZINC000102848436 175045437 /nfs/dbraw/zinc/04/54/37/175045437.db2.gz LAYOKEVAZVLUSZ-RVDMUPIBSA-N 0 0 248.326 2.611 10 30 BFEERN COc1ccc(C#N)c(C(F)(F)F)c1OC ZINC000261212168 175051051 /nfs/dbraw/zinc/05/10/51/175051051.db2.gz QDGKLRBOWBRORQ-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN COc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1F ZINC000061890937 175111952 /nfs/dbraw/zinc/11/19/52/175111952.db2.gz QDDOGXAOUHWAOS-AAEUAGOBSA-N 0 0 248.301 2.616 10 30 BFEERN COc1ccc(F)c(CC#N)c1Br ZINC000075898789 175124453 /nfs/dbraw/zinc/12/44/53/175124453.db2.gz UYKJRVNDWMIJPP-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN COc1ccc(NN=Cc2ccc(O)cc2)cc1 ZINC000028636349 175138626 /nfs/dbraw/zinc/13/86/26/175138626.db2.gz LCQIFXVKHXEZAW-XNTDXEJSSA-N 0 0 242.278 2.847 10 30 BFEERN COc1ccc(N[C@@H](C#N)c2cccnc2)cc1 ZINC000037936570 175153230 /nfs/dbraw/zinc/15/32/30/175153230.db2.gz MULVUCCJKXOMDY-AWEZNQCLSA-N 0 0 239.278 2.767 10 30 BFEERN COc1ccc(N[C@H](C)CC#N)c(C)c1 ZINC000061567673 175154491 /nfs/dbraw/zinc/15/44/91/175154491.db2.gz OFXDKAMDZKORSJ-SNVBAGLBSA-N 0 0 204.273 2.718 10 30 BFEERN COc1ccc(N[C@H]2CCC[C@@H]2C#N)c(OC)c1 ZINC000054823120 175155704 /nfs/dbraw/zinc/15/57/04/175155704.db2.gz MGCOKYBPQBMBSX-PWSUYJOCSA-N 0 0 246.310 2.808 10 30 BFEERN COc1ccc(N[C@H]2CCC[C@H]2C#N)c(OC)c1 ZINC000054823122 175155787 /nfs/dbraw/zinc/15/57/87/175155787.db2.gz MGCOKYBPQBMBSX-JQWIXIFHSA-N 0 0 246.310 2.808 10 30 BFEERN COc1ccc(Oc2cc(C#N)ccn2)cc1 ZINC000019441469 175173982 /nfs/dbraw/zinc/17/39/82/175173982.db2.gz BHXJGDJCBHPWAL-UHFFFAOYSA-N 0 0 226.235 2.754 10 30 BFEERN COc1ccc([C@@H](C)C=O)cc1Br ZINC000036164734 175176171 /nfs/dbraw/zinc/17/61/71/175176171.db2.gz YJWSHCKMBNCPKJ-ZETCQYMHSA-N 0 0 243.100 2.760 10 30 BFEERN COc1cccc(-c2csc(CC#N)n2)c1 ZINC000019437168 175235448 /nfs/dbraw/zinc/23/54/48/175235448.db2.gz REWUMADPDDAQJX-UHFFFAOYSA-N 0 0 230.292 2.885 10 30 BFEERN COc1cccc(-c2csc(N)c2C#N)c1 ZINC000033501098 175235666 /nfs/dbraw/zinc/23/56/66/175235666.db2.gz OHGHKJAQTIDJHJ-UHFFFAOYSA-N 0 0 230.292 2.878 10 30 BFEERN COc1cccc(N(C)c2ccc(C#N)cc2)n1 ZINC000104122286 175275673 /nfs/dbraw/zinc/27/56/73/175275673.db2.gz ITZHRUWHTUCJKT-UHFFFAOYSA-N 0 0 239.278 2.730 10 30 BFEERN COc1cccc([C@@H](C#N)N2CCCCC2)c1 ZINC000019934318 175286056 /nfs/dbraw/zinc/28/60/56/175286056.db2.gz OACWYKQOEJKMRK-CQSZACIVSA-N 0 0 230.311 2.746 10 30 BFEERN COc1cccc2c(OC[C@H]3CO3)cccc12 ZINC000065743257 175300003 /nfs/dbraw/zinc/30/00/03/175300003.db2.gz MLFOCCNTZVTFBH-SNVBAGLBSA-N 0 0 230.263 2.626 10 30 in-vitro BFEERN COc1ccccc1CN[C@@H](C#N)CC(C)C ZINC000057520959 175330269 /nfs/dbraw/zinc/33/02/69/175330269.db2.gz JIRITWIKUWYZNI-CYBMUJFWSA-N 0 0 232.327 2.723 10 30 BFEERN COc1ccccc1C[C@@](C)(C#N)NCC1CC1 ZINC000037947003 175332731 /nfs/dbraw/zinc/33/27/31/175332731.db2.gz PLGVBUASWXPFKA-HNNXBMFYSA-N 0 0 244.338 2.520 10 30 BFEERN COc1ccccc1N(C)c1ccnc(C#N)c1 ZINC000061815180 175335926 /nfs/dbraw/zinc/33/59/26/175335926.db2.gz JNLZPNUJMIAHIS-UHFFFAOYSA-N 0 0 239.278 2.730 10 30 BFEERN COc1ccccc1N[C@H](C#N)C(C)C ZINC000041049478 175338647 /nfs/dbraw/zinc/33/86/47/175338647.db2.gz FTMIJJQHTDFUAT-LLVKDONJSA-N 0 0 204.273 2.655 10 30 BFEERN COc1ccccc1[C@@H](C#N)NC1CCCC1 ZINC000019989675 175343960 /nfs/dbraw/zinc/34/39/60/175343960.db2.gz IFAGPBLPJJMIFG-CYBMUJFWSA-N 0 0 230.311 2.792 10 30 BFEERN CSc1cc(C#N)ccc1OC1CC1 ZINC000095732611 175571930 /nfs/dbraw/zinc/57/19/30/175571930.db2.gz PRVRDVADEMOKGI-UHFFFAOYSA-N 0 0 205.282 2.821 10 30 BFEERN C[C@@H](CC#N)N(C)c1nc2ccc(N)cc2s1 ZINC000063104757 175638269 /nfs/dbraw/zinc/63/82/69/175638269.db2.gz BHKHXJQVCYTYHS-QMMMGPOBSA-N 0 0 246.339 2.617 10 30 BFEERN C[C@@H](S)CN1CSc2ccccc21 ZINC000039118893 176006429 /nfs/dbraw/zinc/00/64/29/176006429.db2.gz FURLAHNSRMKDTI-MRVPVSSYSA-N 0 0 211.355 2.875 10 30 BFEERN C[C@@H](Oc1ncc(N)cc1C#N)c1ccccc1 ZINC000037759322 176006552 /nfs/dbraw/zinc/00/65/52/176006552.db2.gz DRGUIQFGCAXBLA-SNVBAGLBSA-N 0 0 239.278 2.675 10 30 BFEERN C[C@@H]1CCCC[C@@H]1N(C)c1ncc(N)cc1C#N ZINC000042603327 176078413 /nfs/dbraw/zinc/07/84/13/176078413.db2.gz QVSFBLLKIAOPDH-MFKMUULPSA-N 0 0 244.342 2.550 10 30 BFEERN C[C@@H]1CCc2nc(Cl)c(C#N)cc2C1 ZINC000043404696 176240543 /nfs/dbraw/zinc/24/05/43/176240543.db2.gz FGTOMWDOLDQAQK-SSDOTTSWSA-N 0 0 206.676 2.731 10 30 BFEERN C[C@H](C#N)C(=O)Nc1ccccc1C(F)(F)F ZINC000036240598 176551354 /nfs/dbraw/zinc/55/13/54/176551354.db2.gz SNBJIOJELZGPAD-SSDOTTSWSA-N 0 0 242.200 2.804 10 30 BFEERN C[C@H](O)c1ccccc1N(CCC#N)C1CC1 ZINC000042547535 177018142 /nfs/dbraw/zinc/01/81/42/177018142.db2.gz QAKPBASOVGHKIT-NSHDSACASA-N 0 0 230.311 2.622 10 30 BFEERN C[C@H](c1cccc(N)c1)N(CCC#N)C1CC1 ZINC000042531014 177036215 /nfs/dbraw/zinc/03/62/15/177036215.db2.gz ZPDSEKYODSVMMF-LLVKDONJSA-N 0 0 229.327 2.708 10 30 BFEERN C[C@@H]1[C@@H](C)CCC[C@@H]1Nc1ncc(N)cc1C#N ZINC000037758893 177138135 /nfs/dbraw/zinc/13/81/35/177138135.db2.gz PCTWKYXQJQCXID-CWSCBRNRSA-N 0 0 244.342 2.772 10 30 BFEERN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC000067176071 177151591 /nfs/dbraw/zinc/15/15/91/177151591.db2.gz NDHOTKDFCPMGGW-UWVGGRQHSA-N 0 0 224.304 2.546 10 30 BFEERN C[C@H]1C[C@H](S)CCN1C(=O)OC(C)(C)C ZINC000073657043 177374913 /nfs/dbraw/zinc/37/49/13/177374913.db2.gz VMYQICBYCQSTAK-DTWKUNHWSA-N 0 0 231.361 2.704 10 30 BFEERN C[C@]1(O)CC(=O)C=C(c2cccc(Cl)c2)C1 ZINC000040174920 177471486 /nfs/dbraw/zinc/47/14/86/177471486.db2.gz OLTSFTQWVIAGGQ-CYBMUJFWSA-N 0 0 236.698 2.837 10 30 BFEERN Cc1c(Cl)cccc1N1C[C@H](C#N)CC1=O ZINC000011894256 177600437 /nfs/dbraw/zinc/60/04/37/177600437.db2.gz CBBNXPJJBCPIKF-VIFPVBQESA-N 0 0 234.686 2.525 10 30 BFEERN CC/C(=C\c1cccc([N+](=O)[O-])c1)C(C)=O ZINC000196513726 487826089 /nfs/dbraw/zinc/82/60/89/487826089.db2.gz FHTZYYQHBKUTMC-YRNVUSSQSA-N 0 0 219.240 2.977 10 30 BFEERN C=C[C@H](SCc1ccc(Cl)o1)C(=O)OC ZINC000757169284 586432561 /nfs/dbraw/zinc/43/25/61/586432561.db2.gz HMXHYIGZYQEMEP-QMMMGPOBSA-N 0 0 246.715 2.894 10 30 BFEERN CCCCCCCC[N@H+](C)[C@H](C)C(=O)[O-] ZINC000107577636 588380785 /nfs/dbraw/zinc/38/07/85/588380785.db2.gz KOGGKPFKWYAPKW-LLVKDONJSA-N 0 0 215.337 2.752 10 30 BFEERN C[Si](C)(C)C#CC(=O)Cc1ccccc1 ZINC000169894363 487910186 /nfs/dbraw/zinc/91/01/86/487910186.db2.gz LTMMBZAAXWLFCH-UHFFFAOYSA-N 0 0 216.356 2.679 10 30 BFEERN CCC(/C=N/N1C(=O)c2ccccc2C1=O)CC ZINC000005417272 322814935 /nfs/dbraw/zinc/81/49/35/322814935.db2.gz CHQVCGBVLBCRTM-OQLLNIDSSA-N 0 0 244.294 2.705 10 30 BFEERN CC1CC(C(=O)N(C)c2ccccc2C#N)C1 ZINC000532793432 323298195 /nfs/dbraw/zinc/29/81/95/323298195.db2.gz SFIHQVBSGJMPRM-UHFFFAOYSA-N 0 0 228.295 2.567 10 30 BFEERN N#C[C@@]1(c2ccccc2Cl)CCCOC1 ZINC000536949815 323952001 /nfs/dbraw/zinc/95/20/01/323952001.db2.gz FPWFEIIXLHPUSG-LBPRGKRZSA-N 0 0 221.687 2.912 10 30 BFEERN C[C@H]1CCC[C@H]1C(=O)N(C)c1cccc(C#N)c1 ZINC000230057100 324993827 /nfs/dbraw/zinc/99/38/27/324993827.db2.gz UWQOKKPYAKDJQO-SMDDNHRTSA-N 0 0 242.322 2.957 10 30 BFEERN C[C@@]1(C=O)CC[C@@H](O[C@@H]2CCCCO2)CC1 ZINC000584600245 488018320 /nfs/dbraw/zinc/01/83/20/488018320.db2.gz AZOJAACJKJLTSR-JHJVBQTASA-N 0 0 226.316 2.677 10 30 BFEERN C=CCSC(=S)N1N[C@@H]1c1ccccc1 ZINC000584650221 488020216 /nfs/dbraw/zinc/02/02/16/488020216.db2.gz QEJJDZRPKDDREF-NKUHCKNESA-N 0 0 236.365 2.710 10 30 BFEERN Cc1ccc([C@H](C)NCc2ccnc(C#N)c2)o1 ZINC000068753204 488128947 /nfs/dbraw/zinc/12/89/47/488128947.db2.gz GIFUCDAMRJWWRP-NSHDSACASA-N 0 0 241.294 2.706 10 30 BFEERN C#Cc1cccc(CO[C@@H]2CCCCO2)c1 ZINC000166130592 487675575 /nfs/dbraw/zinc/67/55/75/487675575.db2.gz WHZHARKNHHDNPQ-CQSZACIVSA-N 0 0 216.280 2.711 10 30 BFEERN CC(C)C[C@H]1CC=C([C@H](C)C(=O)NO)CC1 ZINC000584616337 491070099 /nfs/dbraw/zinc/07/00/99/491070099.db2.gz CIEHPOYXJZSOGH-QWRGUYRKSA-N 0 0 225.332 2.901 10 30 BFEERN CC(C)C[C@@H]1CC=C([C@H](C)C(=O)NO)CC1 ZINC000584616338 491070087 /nfs/dbraw/zinc/07/00/87/491070087.db2.gz CIEHPOYXJZSOGH-WDEREUQCSA-N 0 0 225.332 2.901 10 30 BFEERN CCc1ccccc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000161905897 535925112 /nfs/dbraw/zinc/92/51/12/535925112.db2.gz JFQSQZVFSLYZNV-JSGCOSHPSA-N 0 0 242.322 2.671 10 30 BFEERN N#CCCN(C(=O)Nc1cccc(F)c1)C1CC1 ZINC000042548913 518196319 /nfs/dbraw/zinc/19/63/19/518196319.db2.gz HKIQONYARRVFCA-UHFFFAOYSA-N 0 0 247.273 2.736 10 30 BFEERN C=CCn1cc(NCc2ccoc2C)cn1 ZINC000085396055 519282083 /nfs/dbraw/zinc/28/20/83/519282083.db2.gz LUICWXYYXOOPSC-UHFFFAOYSA-N 0 0 217.272 2.583 10 30 BFEERN C=C(Cl)CN1CCO[C@@H](c2ccc(C)o2)C1 ZINC000158697677 534439205 /nfs/dbraw/zinc/43/92/05/534439205.db2.gz GPRKYRWMABBLNB-GFCCVEGCSA-N 0 0 241.718 2.714 10 30 BFEERN CC(C)(C)CCC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000303251505 534577811 /nfs/dbraw/zinc/57/78/11/534577811.db2.gz MKDFWMBNQYXWED-WDEREUQCSA-N 0 0 222.332 2.621 10 30 BFEERN Cc1csc2nc(C)nc(SCC#N)c12 ZINC000040538540 526453877 /nfs/dbraw/zinc/45/38/77/526453877.db2.gz FBIYOKZLBKVVQT-UHFFFAOYSA-N 0 0 235.337 2.924 10 30 BFEERN O/N=C\c1csc(COc2ccccc2)n1 ZINC000102176614 527589749 /nfs/dbraw/zinc/58/97/49/527589749.db2.gz FSVATIOOWRUXNH-SDQBBNPISA-N 0 0 234.280 2.530 10 30 BFEERN ON=Cc1csc(COc2ccccc2)n1 ZINC000252486145 527643715 /nfs/dbraw/zinc/64/37/15/527643715.db2.gz FSVATIOOWRUXNH-UHFFFAOYSA-N 0 0 234.280 2.530 10 30 BFEERN FC(F)(Cl)C(F)(F)[C@]1(F)OC1(F)F ZINC000080440392 527661664 /nfs/dbraw/zinc/66/16/64/527661664.db2.gz OOUGAPJYKWGUNR-REOHCLBHSA-N 0 0 232.482 2.742 10 30 BFEERN CC1(C)C[C@H]1c1noc(C2(C#N)CCCC2)n1 ZINC000336011805 534933123 /nfs/dbraw/zinc/93/31/23/534933123.db2.gz ZYRUMODWVPPUJR-VIFPVBQESA-N 0 0 231.299 2.918 10 30 BFEERN CCC[C@@H]1[C@@H](C)CCCN1c1nccc(C#N)n1 ZINC000297437023 535506355 /nfs/dbraw/zinc/50/63/55/535506355.db2.gz IHNOCEUTIWIJDV-WCQYABFASA-N 0 0 244.342 2.753 10 30 BFEERN CCCc1noc([C@]2(C#N)CC23CCCC3)n1 ZINC000333794175 535567215 /nfs/dbraw/zinc/56/72/15/535567215.db2.gz DYSQLBRLAKDIKD-CYBMUJFWSA-N 0 0 231.299 2.748 10 30 BFEERN CCCCCCCCCn1cnc(N)n1 ZINC000103464585 583326447 /nfs/dbraw/zinc/32/64/47/583326447.db2.gz KCGZXCJVPGOBAN-UHFFFAOYSA-N 0 0 210.325 2.611 10 30 BFEERN O=C(CCCCCCS)Nc1cccnc1 ZINC000013609376 581101974 /nfs/dbraw/zinc/10/19/74/581101974.db2.gz SHPVLBRAGPXPLH-UHFFFAOYSA-N 0 0 238.356 2.900 10 30 in-vivo BFEERN COC(=O)[C@]1(Cl)O[C@@]12CCCC[C@@H]2C(C)C ZINC000234594453 582460852 /nfs/dbraw/zinc/46/08/52/582460852.db2.gz FBGJHESYLGDVBU-JLLWLGSASA-N 0 0 246.734 2.710 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@]12CCCC[C@@H]2C(C)C ZINC000234599877 582461810 /nfs/dbraw/zinc/46/18/10/582461810.db2.gz FBGJHESYLGDVBU-USWWRNFRSA-N 0 0 246.734 2.710 10 30 BFEERN C=C[C@H](C)N1C(=S)N=NC1c1ccc(N)cc1 ZINC000757134284 582511027 /nfs/dbraw/zinc/51/10/27/582511027.db2.gz WQNGZIKWQDAVIL-QMMMGPOBSA-N 0 0 246.339 2.563 10 30 BFEERN Cn1ccnc1[C@@H](S)c1cccs1 ZINC000757160217 582543462 /nfs/dbraw/zinc/54/34/62/582543462.db2.gz MICYEKQZMFUFTJ-QMMMGPOBSA-N 0 0 210.327 2.501 10 30 BFEERN CC(C)(C)OC(=O)Nc1ncc(CS)s1 ZINC000757160223 582543503 /nfs/dbraw/zinc/54/35/03/582543503.db2.gz MVBVKLTZPUICQL-UHFFFAOYSA-N 0 0 246.357 2.920 10 30 BFEERN CSc1cc2c(cc1CS)OCCO2 ZINC000757163719 582545099 /nfs/dbraw/zinc/54/50/99/582545099.db2.gz RJJCQMVGLDZZCC-UHFFFAOYSA-N 0 0 228.338 2.610 10 30 BFEERN COc1cc(CS)cc(Br)c1O ZINC000757165714 582547117 /nfs/dbraw/zinc/54/71/17/582547117.db2.gz NOGHQWQTONLZKP-UHFFFAOYSA-N 0 0 249.129 2.593 10 30 BFEERN Clc1ccc(CSC[C@@H]2CO2)o1 ZINC000757168775 582550178 /nfs/dbraw/zinc/55/01/78/582550178.db2.gz DAVDVGXHOMMBMD-ZETCQYMHSA-N 0 0 204.678 2.565 10 30 BFEERN CCN[C@@H](C#N)CSCc1ccc(Cl)o1 ZINC000757169430 582550602 /nfs/dbraw/zinc/55/06/02/582550602.db2.gz HXCOGKXIQHOAHF-QMMMGPOBSA-N 0 0 244.747 2.668 10 30 BFEERN CN[C@@](C)(C#N)CSCc1ccc(Cl)o1 ZINC000757171635 582551096 /nfs/dbraw/zinc/55/10/96/582551096.db2.gz VEUUTKPUFVRMTB-JTQLQIEISA-N 0 0 244.747 2.668 10 30 BFEERN CCCCCCCCc1cc(N)n(C)n1 ZINC000114576538 588876065 /nfs/dbraw/zinc/87/60/65/588876065.db2.gz YXRWIMBRCJUKRG-UHFFFAOYSA-N 0 0 209.337 2.905 10 30 BFEERN CC1(C)CCCN(C(=O)N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000335329820 583613056 /nfs/dbraw/zinc/61/30/56/583613056.db2.gz MCRYOPXCTDJITL-VXGBXAGGSA-N 0 0 249.358 2.510 10 30 BFEERN CCCC1CCC2(CC1)O[C@]2(Cl)C(=O)OC ZINC000232902062 585033041 /nfs/dbraw/zinc/03/30/41/585033041.db2.gz VBQBGVYRKMIFHA-QEWOUOOISA-N 0 0 246.734 2.854 10 30 BFEERN C[C@@H]1C[C@@H](S)CN(C(=O)OC(C)(C)C)C1 ZINC000757159162 586430662 /nfs/dbraw/zinc/43/06/62/586430662.db2.gz GZCKIAXOQFDIIG-RKDXNWHRSA-N 0 0 231.361 2.562 10 30 BFEERN C[C@@H](S)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000757162346 586432387 /nfs/dbraw/zinc/43/23/87/586432387.db2.gz GCTVQJRCBCSFPN-RKDXNWHRSA-N 0 0 231.361 2.562 10 30 BFEERN C=C[C@@H](SCc1ccc(Cl)o1)C(=O)OC ZINC000757169283 586432475 /nfs/dbraw/zinc/43/24/75/586432475.db2.gz HMXHYIGZYQEMEP-MRVPVSSYSA-N 0 0 246.715 2.894 10 30 BFEERN C=CCc1ccccc1OC(=O)[C@@H]1CC[C@H](C)O1 ZINC000121426374 587809859 /nfs/dbraw/zinc/80/98/59/587809859.db2.gz IDQKQWKQULWNLL-FZMZJTMJSA-N 0 0 246.306 2.888 10 30 BFEERN C#CC[C@H](OC(=O)c1ccco1)c1ccccn1 ZINC000105549328 588199713 /nfs/dbraw/zinc/19/97/13/588199713.db2.gz OIFMHRLWFBCWON-LBPRGKRZSA-N 0 0 241.246 2.596 10 30 BFEERN C/C(=C\c1ccccc1Cl)C(=O)N[C@H](C)C#N ZINC000123475815 589719899 /nfs/dbraw/zinc/71/98/99/589719899.db2.gz VQJUWDUTJSGJIZ-TTZKWOQHSA-N 0 0 248.713 2.772 10 30 BFEERN CCCCC[C@@H](C(=O)N[C@H](C)C#N)C(C)C ZINC000128518534 591102081 /nfs/dbraw/zinc/10/20/81/591102081.db2.gz SSJXHDRVOSKQFQ-VXGBXAGGSA-N 0 0 224.348 2.867 10 30 BFEERN COC(=O)[C@]1(C)O[C@]12CCCC[C@H]2C(C)C ZINC000251343800 635542872 /nfs/dbraw/zinc/54/28/72/635542872.db2.gz QTNZYZMWBBRZFG-DRZSPHRISA-N 0 0 226.316 2.533 10 30 BFEERN Cc1cc(C#N)ccc1N[C@H]1CCCC[C@H]1O ZINC000052005802 632042955 /nfs/dbraw/zinc/04/29/55/632042955.db2.gz ODCDPEOVFRMJLO-UONOGXRCSA-N 0 0 230.311 2.582 10 30 BFEERN N#Cc1ccc(OCc2ccccc2)cc1N ZINC000089064091 636369658 /nfs/dbraw/zinc/36/96/58/636369658.db2.gz NFCBDANMIORJDY-UHFFFAOYSA-N 0 0 224.263 2.719 10 30 BFEERN COc1ccc(CN[C@H]2CCC[C@H]2C#N)cc1C ZINC000061892397 641005011 /nfs/dbraw/zinc/00/50/11/641005011.db2.gz UKCBSBPKLPIIHP-KBPBESRZSA-N 0 0 244.338 2.786 10 30 BFEERN CC(C)CN(CCC#N)C(=O)[C@@H]1CCC[C@H]1C ZINC000230170739 641032215 /nfs/dbraw/zinc/03/22/15/641032215.db2.gz SIBKNDJSHZDDCG-CHWSQXEVSA-N 0 0 236.359 2.821 10 30 BFEERN CC#CCCOc1cccc([C@H](C)O)c1 ZINC000154888486 642295579 /nfs/dbraw/zinc/29/55/79/642295579.db2.gz KBAFCGXGVVJJEG-NSHDSACASA-N 0 0 204.269 2.532 10 30 BFEERN C[C@H](C#N)NC(=O)c1cc2c(cccc2F)s1 ZINC000068925232 642811153 /nfs/dbraw/zinc/81/11/53/642811153.db2.gz RISJCNGDEKOMBH-SSDOTTSWSA-N 0 0 248.282 2.682 10 30 BFEERN C#CCC[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000069768748 642904570 /nfs/dbraw/zinc/90/45/70/642904570.db2.gz CSWOLCSLKDIYHL-UHFFFAOYSA-N 0 0 245.294 2.848 10 30 BFEERN C#CCC(C)(C)COC(=O)Cc1cccc(F)c1 ZINC000185376330 643303002 /nfs/dbraw/zinc/30/30/02/643303002.db2.gz JOSIYRPWIZPGFJ-UHFFFAOYSA-N 0 0 248.297 2.961 10 30 BFEERN COc1ccc(Br)cc1CS ZINC000049596249 643621606 /nfs/dbraw/zinc/62/16/06/643621606.db2.gz GRGLMZKKCKHART-UHFFFAOYSA-N 0 0 233.130 2.888 10 30 BFEERN C=CCC1(C(=O)O[C@@H](C)[C@H]2CCOC2)CCC1 ZINC000192243790 644139406 /nfs/dbraw/zinc/13/94/06/644139406.db2.gz QYEPTXWMWGNBHN-RYUDHWBXSA-N 0 0 238.327 2.701 10 30 BFEERN C=CCCCCCn1ccc([C@@H](C)O)n1 ZINC000195394493 644384894 /nfs/dbraw/zinc/38/48/94/644384894.db2.gz PYQPXMXTIKFPHV-LLVKDONJSA-N 0 0 208.305 2.683 10 30 BFEERN C/C(=C\N(C)C)C(=O)/C=C\c1ccccc1 ZINC000083310991 644402847 /nfs/dbraw/zinc/40/28/47/644402847.db2.gz PCHDJRQCFNATCA-XAZJVICWSA-N 0 0 215.296 2.734 10 30 BFEERN N#C[C@H]1CCCN(C[C@H]2Cc3ccccc32)C1 ZINC000090977034 644609272 /nfs/dbraw/zinc/60/92/72/644609272.db2.gz ITQTZQQGNMTHLH-TZMCWYRMSA-N 0 0 226.323 2.562 10 30 BFEERN COc1cccc(/C=C\C(=O)C(F)(F)F)c1 ZINC000095845678 644777258 /nfs/dbraw/zinc/77/72/58/644777258.db2.gz ONWCMCXRYGCTCF-WAYWQWQTSA-N 0 0 230.185 2.840 10 30 BFEERN N#Cc1sc(N2C[C@@H]3CCC[C@@H]32)nc1Cl ZINC000706881763 712158139 /nfs/dbraw/zinc/15/81/39/712158139.db2.gz JUUZIROGAVBSAH-BQBZGAKWSA-N 0 0 239.731 2.657 10 30 BFEERN COCC1CC(Nc2cccc(F)c2C#N)C1 ZINC000713916431 712472785 /nfs/dbraw/zinc/47/27/85/712472785.db2.gz VTZHDCHJCJPVFY-UHFFFAOYSA-N 0 0 234.274 2.534 10 30 BFEERN CC(C)(C)c1coc(CN[C@H]2CCC[C@@H]2C#N)n1 ZINC000724420828 710740757 /nfs/dbraw/zinc/74/07/57/710740757.db2.gz WETHBATYWIPOBT-MNOVXSKESA-N 0 0 247.342 2.754 10 30 BFEERN C#Cc1cccc(N[C@H]2CO[C@H](C3CC3)C2)c1 ZINC000700986372 712010782 /nfs/dbraw/zinc/01/07/82/712010782.db2.gz CMRDUVMAMWOUHK-CABCVRRESA-N 0 0 227.307 2.647 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)/C=C\c1cccs1 ZINC000701157222 712017113 /nfs/dbraw/zinc/01/71/13/712017113.db2.gz JODCOURJWVHITE-UJYRLZNBSA-N 0 0 246.335 2.570 10 30 BFEERN C#CC[N@H+](Cc1ccc(C(=O)[O-])cc1)C(C)(C)C ZINC000723036455 955199017 /nfs/dbraw/zinc/19/90/17/955199017.db2.gz PIQUSFLEYDTVES-UHFFFAOYSA-N 0 0 245.322 2.619 10 30 BFEERN C#CCC(C)(C)COC(=O)/C(C)=C\CC ZINC000588404969 958260808 /nfs/dbraw/zinc/26/08/08/958260808.db2.gz MFNBKUFZVICFNV-FLIBITNWSA-N 0 0 208.301 2.935 10 30 BFEERN C#C[C@H](OC(=O)/C(C)=C\C(C)(C)C)C1CC1 ZINC000588508178 958873132 /nfs/dbraw/zinc/87/31/32/958873132.db2.gz PBYSEZSSZNVGBT-PRDAAYKISA-N 0 0 220.312 2.934 10 30 BFEERN N#Cc1ccc(C(=O)/C=C\c2cocn2)s1 ZINC000588580193 959349303 /nfs/dbraw/zinc/34/93/03/959349303.db2.gz WUMMGSRLYPTLHU-IWQZZHSRSA-N 0 0 230.248 2.504 10 30 BFEERN C#CCCCCC[N@H+]1CCCC[C@@H]1CC(=O)[O-] ZINC000686685944 976116542 /nfs/dbraw/zinc/11/65/42/976116542.db2.gz QDGOTWBPBYXGHJ-CYBMUJFWSA-N 0 0 237.343 2.509 10 30 BFEERN C[C@@H](C#CC(=O)OC(C)(C)C)c1ccco1 ZINC000685954691 538899283 /nfs/dbraw/zinc/89/92/83/538899283.db2.gz YNADYXMNEVLIAZ-JTQLQIEISA-N 0 0 220.268 2.728 10 30 BFEERN C[C@H](C#CC(=O)OC(C)(C)C)c1ccco1 ZINC000685954693 538899445 /nfs/dbraw/zinc/89/94/45/538899445.db2.gz YNADYXMNEVLIAZ-SNVBAGLBSA-N 0 0 220.268 2.728 10 30 BFEERN CC(C)[C@@H](C#N)c1ccc2c(c1)OCCO2 ZINC000019728934 167340933 /nfs/dbraw/zinc/34/09/33/167340933.db2.gz OTMXTQLTACGINF-LLVKDONJSA-N 0 0 217.268 2.721 10 30 BFEERN N#CCOc1cccc(/C=C/Br)c1 ZINC000685963697 538910600 /nfs/dbraw/zinc/91/06/00/538910600.db2.gz CBXWJNRPEDOSDX-SNAWJCMRSA-N 0 0 238.084 2.955 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C1CCC=CCC1 ZINC000602116475 349445601 /nfs/dbraw/zinc/44/56/01/349445601.db2.gz NYWCOIDEFJMARF-STQMWFEESA-N 0 0 232.327 2.541 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)C1CCC=CCC1 ZINC000602116473 349445877 /nfs/dbraw/zinc/44/58/77/349445877.db2.gz NYWCOIDEFJMARF-OLZOCXBDSA-N 0 0 232.327 2.541 10 30 BFEERN Cc1cc(Cl)cn2c(C#N)c(Cl)nc12 ZINC000082693404 178069727 /nfs/dbraw/zinc/06/97/27/178069727.db2.gz IDHXDOMOAJXBOG-UHFFFAOYSA-N 0 0 226.066 2.821 10 30 BFEERN Cc1cc(N)ccc1N(CCC#N)C(C)C ZINC000042528820 178106046 /nfs/dbraw/zinc/10/60/46/178106046.db2.gz FCXXFARHACMHKB-UHFFFAOYSA-N 0 0 217.316 2.706 10 30 BFEERN N#C[C@H](NC(=O)[C@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000119731121 136220799 /nfs/dbraw/zinc/22/07/99/136220799.db2.gz VDVLFUUPKSJKSD-IHRRRGAJSA-N 0 0 246.354 2.621 10 30 BFEERN Cc1cc(NCCOCC(C)C)c(C#N)c(C)n1 ZINC000123694026 178161427 /nfs/dbraw/zinc/16/14/27/178161427.db2.gz VGOKWFPAYSYUAZ-UHFFFAOYSA-N 0 0 247.342 2.655 10 30 BFEERN Cc1cc(OCCC=O)cc(C)c1Cl ZINC000011569678 178209938 /nfs/dbraw/zinc/20/99/38/178209938.db2.gz NBIYXTBPRJYHGK-UHFFFAOYSA-N 0 0 212.676 2.925 10 30 BFEERN Cc1cc(Oc2ccc(C#N)cn2)c(C)cc1N ZINC000062997994 178214886 /nfs/dbraw/zinc/21/48/86/178214886.db2.gz VDZMCUJQYFLUKB-UHFFFAOYSA-N 0 0 239.278 2.945 10 30 BFEERN COc1ccc(C[C@@](C)(Cl)C#N)cc1 ZINC000070820416 361771411 /nfs/dbraw/zinc/77/14/11/361771411.db2.gz BOQTVOGMGXTRNZ-LLVKDONJSA-N 0 0 209.676 2.759 10 30 BFEERN [O-]/N=C(/Cc1ccncc1)c1ccc(F)cc1 ZINC000213816734 349524563 /nfs/dbraw/zinc/52/45/63/349524563.db2.gz KKJWNJIGAPLVHN-SSZFMOIBSA-N 0 0 230.242 2.642 10 30 BFEERN CCOC(=O)[C@]1(CC)O[C@]12CCC[C@@H]2CC ZINC000229673743 538940345 /nfs/dbraw/zinc/94/03/45/538940345.db2.gz QGTCHHGAUIOKAO-DRZSPHRISA-N 0 0 226.316 2.677 10 30 BFEERN CC/C=C/C(=O)[C@H]1CCOC2(CCC2)C1 ZINC000232797289 398242965 /nfs/dbraw/zinc/24/29/65/398242965.db2.gz TYFKBHHXZSKHHU-TZNOJPMFSA-N 0 0 208.301 2.871 10 30 BFEERN Cc1cc2ccc3c(c2o1)C(=O)C=CC3=O ZINC000169350646 178297793 /nfs/dbraw/zinc/29/77/93/178297793.db2.gz RHLDUCBWFXQHQZ-UHFFFAOYSA-N 0 0 212.204 2.676 10 30 BFEERN Cc1nn(-c2ccc(C)c(Cl)c2)c(N)c1C#N ZINC000032106102 178348755 /nfs/dbraw/zinc/34/87/55/178348755.db2.gz OAGCOHMGFVLCLE-UHFFFAOYSA-N 0 0 246.701 2.596 10 30 BFEERN Cc1ccc(C#N)c(NC2(CO)CCCCC2)c1 ZINC000053096576 178363566 /nfs/dbraw/zinc/36/35/66/178363566.db2.gz AOMNOZAZFNPQJJ-UHFFFAOYSA-N 0 0 244.338 2.974 10 30 BFEERN Cc1n[nH]cc1CNc1cc(C)ccc1C#N ZINC000051579333 178364226 /nfs/dbraw/zinc/36/42/26/178364226.db2.gz NXJZMAYJCJIVCS-UHFFFAOYSA-N 0 0 226.283 2.510 10 30 BFEERN Cc1ccc(C#N)c(N[C@H](C)C(C)C)n1 ZINC000044419417 178365655 /nfs/dbraw/zinc/36/56/55/178365655.db2.gz RPSSITQOOQGNDP-SNVBAGLBSA-N 0 0 203.289 2.718 10 30 BFEERN Cc1ccc(C#N)cc1N[C@@H](C)c1cnn(C)c1 ZINC000050430071 178367429 /nfs/dbraw/zinc/36/74/29/178367429.db2.gz CABCBENBGGGQLK-NSHDSACASA-N 0 0 240.310 2.773 10 30 BFEERN Cc1cccc([C@H](C)c2ncc[nH]2)c1C#N ZINC000114417738 343998859 /nfs/dbraw/zinc/99/88/59/343998859.db2.gz DZDGZHBZWAOSJD-JTQLQIEISA-N 0 0 211.268 2.742 10 30 BFEERN CCOC(=O)[C@@H]1O[C@]12CCC[C@@H](C(C)C)C2 ZINC000231019575 538951698 /nfs/dbraw/zinc/95/16/98/538951698.db2.gz ZTLXDOPHPFVEAQ-MDZLAQPJSA-N 0 0 226.316 2.533 10 30 BFEERN CCC(CC)N(CCO)c1ccc(C#N)cc1 ZINC000044414893 168374203 /nfs/dbraw/zinc/37/42/03/168374203.db2.gz GRTQVXIDNFLDRM-UHFFFAOYSA-N 0 0 232.327 2.546 10 30 BFEERN C#CCC(=O)Cc1ccc(Br)cc1 ZINC000051074313 346825930 /nfs/dbraw/zinc/82/59/30/346825930.db2.gz XRJVTQPNYLRAIZ-UHFFFAOYSA-N 0 0 237.096 2.584 10 30 BFEERN C=C(C)C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000405420332 538959420 /nfs/dbraw/zinc/95/94/20/538959420.db2.gz CNERWNOMTZKZGE-JTQLQIEISA-N 0 0 239.315 2.531 10 30 BFEERN C=CC(=O)CCN(C(=O)OC(C)(C)C)C1CC1 ZINC000405535614 538960594 /nfs/dbraw/zinc/96/05/94/538960594.db2.gz XFPVVRHQHKUHGB-UHFFFAOYSA-N 0 0 239.315 2.531 10 30 BFEERN CC(C)(C#N)N1CC2(CCCC2)OC(C)(C)C1 ZINC000336138839 342692376 /nfs/dbraw/zinc/69/23/76/342692376.db2.gz MOYJZLTVSVPCGL-UHFFFAOYSA-N 0 0 236.359 2.712 10 30 BFEERN C=C(C)C(=O)O[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000144118899 342699937 /nfs/dbraw/zinc/69/99/37/342699937.db2.gz VGOGDAILWQCKBV-SECBINFHSA-N 0 0 235.239 2.775 10 30 BFEERN O=C1C=C(N2CCCC23CCCC3)CC1 ZINC000306657833 361865753 /nfs/dbraw/zinc/86/57/53/361865753.db2.gz IGHLIRLFZZFGAY-UHFFFAOYSA-N 0 0 205.301 2.642 10 30 BFEERN Cc1ccc([S@@](=O)/N=C/C(C)C)cc1 ZINC000008550557 342800274 /nfs/dbraw/zinc/80/02/74/342800274.db2.gz MBDKDEQCBUDADQ-BCNIOPEESA-N 0 0 209.314 2.744 10 30 BFEERN CC[C@@](C)(O)C#CC(=O)c1ccc(SC)cc1 ZINC000138281114 342809736 /nfs/dbraw/zinc/80/97/36/342809736.db2.gz APVDCUQYNZRHOX-CQSZACIVSA-N 0 0 248.347 2.756 10 30 BFEERN CC[C@@H]1CCCC[C@@H]1N(C)c1cnc(C#N)cn1 ZINC000126991435 342810274 /nfs/dbraw/zinc/81/02/74/342810274.db2.gz QISHXMAAWBHSSC-YPMHNXCESA-N 0 0 244.342 2.753 10 30 BFEERN COCC#CC[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000381654656 539005893 /nfs/dbraw/zinc/00/58/93/539005893.db2.gz DYPNPWGGSXUYSA-NSHDSACASA-N 0 0 237.730 2.640 10 30 BFEERN C=CCCC(=O)c1ccc(F)cc1OC ZINC000382704498 361977785 /nfs/dbraw/zinc/97/77/85/361977785.db2.gz RMARLIPKVPNJNN-UHFFFAOYSA-N 0 0 208.232 2.983 10 30 BFEERN C=CCSCC(=O)Cc1ccccc1 ZINC000308559796 342853973 /nfs/dbraw/zinc/85/39/73/342853973.db2.gz VGEKTCGQYWIEEG-UHFFFAOYSA-N 0 0 206.310 2.717 10 30 BFEERN CC[C@@H]([NH3+])C#Cc1cc(F)ccc1Cl ZINC000229908852 342854630 /nfs/dbraw/zinc/85/46/30/342854630.db2.gz WFAGTTBNEUUOQF-SNVBAGLBSA-N 0 0 211.667 2.568 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1cc(C#N)cc(C)n1 ZINC000233435338 342862461 /nfs/dbraw/zinc/86/24/61/342862461.db2.gz YRAKTIJNRPOXMI-RYUDHWBXSA-N 0 0 215.300 2.862 10 30 BFEERN CCN(C)c1cccc(Br)c1C#N ZINC000164982720 342863061 /nfs/dbraw/zinc/86/30/61/342863061.db2.gz FVSNCYSWGHOGLH-UHFFFAOYSA-N 0 0 239.116 2.777 10 30 BFEERN CCC[C@H]1C[C@@H]1Nc1snc(C)c1C#N ZINC000233449775 342863072 /nfs/dbraw/zinc/86/30/72/342863072.db2.gz WDMMQGZEHKCLFU-WPRPVWTQSA-N 0 0 221.329 2.924 10 30 BFEERN C=C(C)C(=O)c1cc(F)cc(F)c1OC ZINC000308808041 342872228 /nfs/dbraw/zinc/87/22/28/342872228.db2.gz PGTZWYYROSJGFP-UHFFFAOYSA-N 0 0 212.195 2.732 10 30 BFEERN Oc1ccc(N=Cc2ccc(O)cc2O)cc1 ZINC000254441289 398315673 /nfs/dbraw/zinc/31/56/73/398315673.db2.gz OXKHCZODIOUJKP-UHFFFAOYSA-N 0 0 229.235 2.554 10 30 BFEERN N#C[C@H](c1cccs1)c1ccccn1 ZINC000015042103 342891113 /nfs/dbraw/zinc/89/11/13/342891113.db2.gz MQNMVUUQBIBIOF-VIFPVBQESA-N 0 0 200.266 2.799 10 30 BFEERN C=C=CC(=O)c1cc(Br)ccc1F ZINC000165311389 342903833 /nfs/dbraw/zinc/90/38/33/342903833.db2.gz PCNPUYPQIVPVGW-UHFFFAOYSA-N 0 0 241.059 2.794 10 30 BFEERN N#Cc1c(C(F)F)ccnc1OC(F)(F)F ZINC000309190565 342904438 /nfs/dbraw/zinc/90/44/38/342904438.db2.gz NKIJDCPFQVNTBL-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN Cc1cc([N+](=O)[O-])c(OC(F)F)cc1CC#N ZINC000218127544 398325701 /nfs/dbraw/zinc/32/57/01/398325701.db2.gz VDWQHZXXZGJVHU-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN C=CCCC(=O)c1ccc(OC(C)=O)cc1 ZINC000309241884 342920602 /nfs/dbraw/zinc/92/06/02/342920602.db2.gz KYMDKZYOLDUSPM-UHFFFAOYSA-N 0 0 218.252 2.761 10 30 BFEERN C/C(=N\S(=O)(=O)c1ccc(C)cc1)C(C)C ZINC000136676502 398343297 /nfs/dbraw/zinc/34/32/97/398343297.db2.gz NYOJCJWQKORGRB-ACCUITESSA-N 0 0 239.340 2.801 10 30 BFEERN C(#Cc1cccs1)CO[C@H]1CCCCO1 ZINC000034521199 346892055 /nfs/dbraw/zinc/89/20/55/346892055.db2.gz OIJCFMHSGWYGON-LBPRGKRZSA-N 0 0 222.309 2.643 10 30 BFEERN C#CCC(=O)c1cccc(F)c1Br ZINC000167704958 346900249 /nfs/dbraw/zinc/90/02/49/346900249.db2.gz IZKWNFLBWGBMKV-UHFFFAOYSA-N 0 0 241.059 2.794 10 30 BFEERN O=[N+]([O-])c1ccc(C#C/C=C/Cl)cc1 ZINC000036405040 342992388 /nfs/dbraw/zinc/99/23/88/342992388.db2.gz VBSGRUSHCMLHAO-KRXBUXKQSA-N 0 0 207.616 2.699 10 30 BFEERN CC[C@H](C)c1noc(-c2ccc(C#N)cn2)n1 ZINC000234010767 342979792 /nfs/dbraw/zinc/97/97/92/342979792.db2.gz AQJLHFUAVAQTNW-QMMMGPOBSA-N 0 0 228.255 2.517 10 30 BFEERN N#Cc1ccc(Cc2nc3cc(N)ccc3[nH]2)cc1 ZINC000036439872 342999977 /nfs/dbraw/zinc/99/99/77/342999977.db2.gz FLSRVOYZJWRIQQ-UHFFFAOYSA-N 0 0 248.289 2.608 10 30 BFEERN Fc1cc(NC2=NCCS2)ccc1Cl ZINC000042581525 362011039 /nfs/dbraw/zinc/01/10/39/362011039.db2.gz HELXPRJWODYTLA-UHFFFAOYSA-N 0 0 230.695 2.803 10 30 BFEERN C=C(C)Cc1ccc(C2OCCO2)cc1 ZINC000043502449 343098480 /nfs/dbraw/zinc/09/84/80/343098480.db2.gz MVTOOEMJBADLGE-UHFFFAOYSA-N 0 0 204.269 2.851 10 30 BFEERN N#Cc1ccc(CO[C@H]2CCCCO2)cc1 ZINC000142602462 343111036 /nfs/dbraw/zinc/11/10/36/343111036.db2.gz UUMBEXIRHNHQOG-ZDUSSCGKSA-N 0 0 217.268 2.601 10 30 BFEERN CC[C@@H](C#N)Sc1ccc(F)cc1N ZINC000043542952 343135758 /nfs/dbraw/zinc/13/57/58/343135758.db2.gz BPQQNLAODPPBIN-QMMMGPOBSA-N 0 0 210.277 2.802 10 30 BFEERN C[C@@H]1CC[C@H](NC(=O)CC#N)c2ccccc21 ZINC000185557727 136275187 /nfs/dbraw/zinc/27/51/87/136275187.db2.gz ZTXZKKCVEWLWBQ-MFKMUULPSA-N 0 0 228.295 2.655 10 30 BFEERN C=CC(=O)c1ccc(OC(F)(F)F)cc1 ZINC000168975032 343210460 /nfs/dbraw/zinc/21/04/60/343210460.db2.gz NTIPXOMDDHBFCT-UHFFFAOYSA-N 0 0 216.158 2.954 10 30 BFEERN CC(C)(C)OC(=O)N1CC(CC(C)(C)C#N)C1 ZINC000260558379 343223065 /nfs/dbraw/zinc/22/30/65/343223065.db2.gz OOERZWYLOPPZAG-UHFFFAOYSA-N 0 0 238.331 2.793 10 30 BFEERN N#CCc1nccc(Cl)c1OC(F)(F)F ZINC000238520784 343256676 /nfs/dbraw/zinc/25/66/76/343256676.db2.gz RVEBABKPNNKHED-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN C[C@@H]1CCCC[C@@]1(O)C#C[Si](C)(C)C ZINC000200890146 343319289 /nfs/dbraw/zinc/31/92/89/343319289.db2.gz ZACBSHBQFXVIHL-VXGBXAGGSA-N 0 0 210.393 2.808 10 30 BFEERN CC(C)(C)C[C@H]1CCCN1C(=O)NCCC#N ZINC000408367516 133477744 /nfs/dbraw/zinc/47/77/44/133477744.db2.gz WVKGQVBUNBIGFH-LLVKDONJSA-N 0 0 237.347 2.510 10 30 BFEERN CC1(C)CCC[C@@H](CC(=O)NCCC#N)C1 ZINC000408371591 133478339 /nfs/dbraw/zinc/47/83/39/133478339.db2.gz ZHLHJHBKDUTREP-NSHDSACASA-N 0 0 222.332 2.623 10 30 BFEERN CCC1=CC(=O)[C@@](C)(c2ccccc2)O1 ZINC000039100790 343384023 /nfs/dbraw/zinc/38/40/23/343384023.db2.gz JDGDKXNZFHZQKC-CYBMUJFWSA-N 0 0 202.253 2.795 10 30 BFEERN C=CC[C@H](C)OS(=O)(=O)c1ccc(C)cc1 ZINC000039252866 343387614 /nfs/dbraw/zinc/38/76/14/343387614.db2.gz WIWURRFVCSTIAY-NSHDSACASA-N 0 0 240.324 2.665 10 30 BFEERN C[C@H](CC#N)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000247250606 343416269 /nfs/dbraw/zinc/41/62/69/343416269.db2.gz DQOSNDRBADQIAO-KGYLQXTDSA-N 0 0 234.343 2.621 10 30 BFEERN C[C@@H](C#N)CN(C)Cc1ccc2ccccc2n1 ZINC000042461062 343439619 /nfs/dbraw/zinc/43/96/19/343439619.db2.gz UOYFPFBWAHYNFX-LBPRGKRZSA-N 0 0 239.322 2.826 10 30 BFEERN C=CCN(Cc1ccco1)CC(F)(F)F ZINC000102673854 136332197 /nfs/dbraw/zinc/33/21/97/136332197.db2.gz GZCXRHVUTIFXTB-UHFFFAOYSA-N 0 0 219.206 2.830 10 30 BFEERN N#CC[C@@H](O)c1ccc(Cl)cc1Cl ZINC000035962670 343522602 /nfs/dbraw/zinc/52/26/02/343522602.db2.gz OZYOJTQZHXVRGH-SECBINFHSA-N 0 0 216.067 2.940 10 30 BFEERN C[Si](C)(C)C#CCOc1ccccc1 ZINC000196494486 343524111 /nfs/dbraw/zinc/52/41/11/343524111.db2.gz JKTOAHPAMPPVRB-UHFFFAOYSA-N 0 0 204.345 2.946 10 30 BFEERN CC(C)n1cc(CC#N)c(C(F)(F)F)n1 ZINC000205592132 343635028 /nfs/dbraw/zinc/63/50/28/343635028.db2.gz HVYYMEBGYANFMG-UHFFFAOYSA-N 0 0 217.194 2.549 10 30 BFEERN CC(C)SCC[NH2+][C@@H]1CCCC[C@@H]1C#N ZINC000379778634 343624812 /nfs/dbraw/zinc/62/48/12/343624812.db2.gz BFWUSPJVGCXAON-VXGBXAGGSA-N 0 0 226.389 2.800 10 30 BFEERN CC[C@H](Nc1cnc(C#N)cn1)c1ccccc1 ZINC000071178079 343625213 /nfs/dbraw/zinc/62/52/13/343625213.db2.gz WUKQTUHKLYAWLR-ZDUSSCGKSA-N 0 0 238.294 2.911 10 30 BFEERN CC[C@@H](Nc1cnc(C#N)cn1)c1ccccc1 ZINC000071178080 343625315 /nfs/dbraw/zinc/62/53/15/343625315.db2.gz WUKQTUHKLYAWLR-CYBMUJFWSA-N 0 0 238.294 2.911 10 30 BFEERN Cc1cc(-c2cnccc2[C@@H](C)O)ccc1C#N ZINC000166632230 343708585 /nfs/dbraw/zinc/70/85/85/343708585.db2.gz LMBVXEOQMITRIG-LLVKDONJSA-N 0 0 238.290 2.982 10 30 BFEERN Cc1c(C#N)cccc1[C@@H](C)c1ncc[nH]1 ZINC000114419768 346962156 /nfs/dbraw/zinc/96/21/56/346962156.db2.gz OORQCQNNSPMCHK-SNVBAGLBSA-N 0 0 211.268 2.742 10 30 BFEERN C#CCOc1cc(Cl)cnc1Br ZINC000306303385 343771403 /nfs/dbraw/zinc/77/14/03/343771403.db2.gz CUJIUUAVTVQMJK-UHFFFAOYSA-N 0 0 246.491 2.510 10 30 BFEERN CCc1cc(-c2cccs2)nn1CC#N ZINC000409439875 343853537 /nfs/dbraw/zinc/85/35/37/343853537.db2.gz KCOAANMSPUVRNY-UHFFFAOYSA-N 0 0 217.297 2.698 10 30 BFEERN CCn1cc(CC#N)c(-c2ccccc2)n1 ZINC000409437892 343849457 /nfs/dbraw/zinc/84/94/57/343849457.db2.gz JPQYVDKBVOYJRH-UHFFFAOYSA-N 0 0 211.268 2.636 10 30 BFEERN FC(F)(F)c1cccc(C#CC2CC2)n1 ZINC000585144009 343878779 /nfs/dbraw/zinc/87/87/79/343878779.db2.gz ZABJZXWSZRTZTK-UHFFFAOYSA-N 0 0 211.186 2.862 10 30 BFEERN CC(C)c1cc(-c2cccs2)nn1CC=O ZINC000409442122 343857544 /nfs/dbraw/zinc/85/75/44/343857544.db2.gz WSMOCHKWHYZFSJ-UHFFFAOYSA-N 0 0 234.324 2.934 10 30 BFEERN N#CCc1cc(-c2cccs2)nn1CCF ZINC000409443106 343865669 /nfs/dbraw/zinc/86/56/69/343865669.db2.gz HCGVJOMXFLMXCD-UHFFFAOYSA-N 0 0 235.287 2.647 10 30 BFEERN C=CCSc1ncc(N)cc1Cl ZINC000307500480 343943014 /nfs/dbraw/zinc/94/30/14/343943014.db2.gz SQBYREUZXSQIAN-UHFFFAOYSA-N 0 0 200.694 2.595 10 30 BFEERN C=C(C)CNc1nc(C)ncc1Br ZINC000307584950 343943806 /nfs/dbraw/zinc/94/38/06/343943806.db2.gz KDYCMHAMTOHMNJ-UHFFFAOYSA-N 0 0 242.120 2.536 10 30 BFEERN N#CCc1cc(NCc2ccccc2)ccc1N ZINC000127181393 343919666 /nfs/dbraw/zinc/91/96/66/343919666.db2.gz GSHXZSQJLHWWAQ-UHFFFAOYSA-N 0 0 237.306 2.947 10 30 BFEERN C=CC[C@H](CC)NC(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000393731337 343922143 /nfs/dbraw/zinc/92/21/43/343922143.db2.gz AYZWMNKDQSDKHY-USZNOCQGSA-N 0 0 207.317 2.503 10 30 BFEERN C[C@H](O)C#Cc1cc(Cl)cc(Cl)c1 ZINC000022203356 343926326 /nfs/dbraw/zinc/92/63/26/343926326.db2.gz BJTWTEIEJRIJHH-ZETCQYMHSA-N 0 0 215.079 2.726 10 30 BFEERN C#C[C@@H](C)Nc1ccc(Br)cc1 ZINC000135162802 343955279 /nfs/dbraw/zinc/95/52/79/343955279.db2.gz HMKJRNVZIWIRRA-MRVPVSSYSA-N 0 0 224.101 2.883 10 30 BFEERN C=C(Cl)CNc1ccc(Cl)cn1 ZINC000127303204 344128570 /nfs/dbraw/zinc/12/85/70/344128570.db2.gz MEEFCDQYEVNJGG-UHFFFAOYSA-N 0 0 203.072 2.899 10 30 BFEERN CCc1ncnc(C#CC(C)(C)C)c1F ZINC000585143703 344178146 /nfs/dbraw/zinc/17/81/46/344178146.db2.gz HRCKJCKMKFCTDP-UHFFFAOYSA-N 0 0 206.264 2.576 10 30 BFEERN CC[C@H](C#N)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000247432549 344213787 /nfs/dbraw/zinc/21/37/87/344213787.db2.gz OULRLRIYKURFHP-FRRDWIJNSA-N 0 0 234.343 2.621 10 30 BFEERN C=C(C)Cn1cc2c(c1)C(=O)CCCC2 ZINC000135383009 344245235 /nfs/dbraw/zinc/24/52/35/344245235.db2.gz YNBXKOLVGVIDEW-UHFFFAOYSA-N 0 0 203.285 2.973 10 30 BFEERN C#Cc1ccnc(NCc2ccccc2)c1 ZINC000222923079 344281137 /nfs/dbraw/zinc/28/11/37/344281137.db2.gz KODFTFATMSBSDL-UHFFFAOYSA-N 0 0 208.264 2.675 10 30 BFEERN N#Cc1cncc(OC(F)(F)F)c1C(F)F ZINC000309383372 347044478 /nfs/dbraw/zinc/04/44/78/347044478.db2.gz ZRKAHLHBPNPESG-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1Sc1ncco1 ZINC000236216601 344320732 /nfs/dbraw/zinc/32/07/32/344320732.db2.gz CRKWKWIBRLCWDQ-BDAKNGLRSA-N 0 0 208.286 2.849 10 30 BFEERN Cc1ccc2ccc(CCC(=O)NO)cc2c1 ZINC000028113281 344334234 /nfs/dbraw/zinc/33/42/34/344334234.db2.gz BYAUMYQMTMBNQC-UHFFFAOYSA-N 0 0 229.279 2.586 10 30 BFEERN Nc1cccc(C#Cc2cccc(F)c2)c1 ZINC000037471003 344504859 /nfs/dbraw/zinc/50/48/59/344504859.db2.gz CYVHAUOXNQKYBK-UHFFFAOYSA-N 0 0 211.239 2.808 10 30 BFEERN CCOc1ccccc1-c1cnc(C#N)o1 ZINC000409429381 344451076 /nfs/dbraw/zinc/45/10/76/344451076.db2.gz RIDAZTZHXPNJGA-UHFFFAOYSA-N 0 0 214.224 2.612 10 30 BFEERN C[C@H](N[C@H]1CCCC[C@@H]1C#N)c1ccncc1 ZINC000054825131 344457104 /nfs/dbraw/zinc/45/71/04/344457104.db2.gz FENADJPWGVQYPX-YUTCNCBUSA-N 0 0 229.327 2.815 10 30 BFEERN COc1ccc(CN[C@H]2CCCC[C@H]2C#N)cc1 ZINC000054823508 344457570 /nfs/dbraw/zinc/45/75/70/344457570.db2.gz LFXRVFKYLYDMJD-ZFWWWQNUSA-N 0 0 244.338 2.867 10 30 BFEERN COc1ccc(CN[C@H]2CCCC[C@@H]2C#N)cc1 ZINC000054823506 344457770 /nfs/dbraw/zinc/45/77/70/344457770.db2.gz LFXRVFKYLYDMJD-HIFRSBDPSA-N 0 0 244.338 2.867 10 30 BFEERN N#Cc1cc(CCCc2ccccc2)ncn1 ZINC000409436740 344461054 /nfs/dbraw/zinc/46/10/54/344461054.db2.gz ZGIDHNZQHBTMEI-UHFFFAOYSA-N 0 0 223.279 2.524 10 30 BFEERN N#Cc1cc(-c2c(F)cccc2Cl)ncn1 ZINC000409436564 344462732 /nfs/dbraw/zinc/46/27/32/344462732.db2.gz JGHLHVYNNSMBJK-UHFFFAOYSA-N 0 0 233.633 2.808 10 30 BFEERN N#Cc1cccc(CN[C@H]2CCCC[C@H]2C#N)c1 ZINC000054825648 344472195 /nfs/dbraw/zinc/47/21/95/344472195.db2.gz UOGVERWRTWTTHQ-GJZGRUSLSA-N 0 0 239.322 2.730 10 30 BFEERN ON=C1c2ccccc2Cc2ccccc21 ZINC000003160889 344531518 /nfs/dbraw/zinc/53/15/18/344531518.db2.gz DHSLOIFKVQGCQU-UHFFFAOYSA-N 0 0 209.248 2.817 10 30 BFEERN N#CCc1c(C#N)cccc1OC(F)(F)F ZINC000396074494 344595659 /nfs/dbraw/zinc/59/56/59/344595659.db2.gz GTQIIKSGGIWXLV-UHFFFAOYSA-N 0 0 226.157 2.523 10 30 BFEERN CC[C@@H]1CC[C@@](Br)(C#N)C1 ZINC000127721561 344611159 /nfs/dbraw/zinc/61/11/59/344611159.db2.gz JBMVGDLRDZYXIN-SFYZADRCSA-N 0 0 202.095 2.854 10 30 BFEERN N#C[C@]1(Br)CCc2c1cccc2F ZINC000127691410 344600879 /nfs/dbraw/zinc/60/08/79/344600879.db2.gz ZGYBDYQZWJWPMS-SNVBAGLBSA-N 0 0 240.075 2.886 10 30 BFEERN Cc1ccoc1CN[C@@H]1CCCC[C@@H]1C#N ZINC000309453628 347065389 /nfs/dbraw/zinc/06/53/89/347065389.db2.gz PAVZGSZZOWLOTF-VXGBXAGGSA-N 0 0 218.300 2.760 10 30 BFEERN CCNc1ccc2nc(C#N)sc2c1 ZINC000116224133 344727788 /nfs/dbraw/zinc/72/77/88/344727788.db2.gz OVQYOMXAWUNAOO-UHFFFAOYSA-N 0 0 203.270 2.600 10 30 BFEERN CCOc1cc(OCC)c(CC)cc1C#N ZINC000221356319 344734654 /nfs/dbraw/zinc/73/46/54/344734654.db2.gz TXHFQJFLFIRDCU-UHFFFAOYSA-N 0 0 219.284 2.918 10 30 BFEERN CO[C@@]1(C#N)CCc2cc(Cl)ccc21 ZINC000128022982 344714178 /nfs/dbraw/zinc/71/41/78/344714178.db2.gz UBAAENRBGFJYTQ-LLVKDONJSA-N 0 0 207.660 2.651 10 30 BFEERN CCOc1c(Cl)cc(N)c(C#N)c1Cl ZINC000135616531 344804112 /nfs/dbraw/zinc/80/41/12/344804112.db2.gz IBZLKVAFQRSFRH-UHFFFAOYSA-N 0 0 231.082 2.846 10 30 BFEERN CC(C)Cc1ccc([C@@H](C)NC(=O)CC#N)cc1 ZINC000119417918 344848356 /nfs/dbraw/zinc/84/83/56/344848356.db2.gz HGHBPDQZORZMOE-GFCCVEGCSA-N 0 0 244.338 2.976 10 30 BFEERN C#C[C@@H](C)Nc1ccc(Br)c(C)n1 ZINC000235264753 344863782 /nfs/dbraw/zinc/86/37/82/344863782.db2.gz VHLGJBVYXBHLMM-SSDOTTSWSA-N 0 0 239.116 2.586 10 30 BFEERN C[C@H](C#N)[C@H](O)c1ccc(F)cc1Cl ZINC000235406849 344903930 /nfs/dbraw/zinc/90/39/30/344903930.db2.gz RZPBHRMKUFIRLS-LDWIPMOCSA-N 0 0 213.639 2.672 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1cc(F)cc(F)c1 ZINC000224371029 344904888 /nfs/dbraw/zinc/90/48/88/344904888.db2.gz LJRUZWNNOZYPJX-GWCFXTLKSA-N 0 0 236.265 2.747 10 30 BFEERN C=CC[C@@H](C)Nc1ncc(N)cc1Cl ZINC000235430235 344909803 /nfs/dbraw/zinc/90/98/03/344909803.db2.gz XTYUJACLPOQYKE-SSDOTTSWSA-N 0 0 211.696 2.694 10 30 BFEERN N#CCc1nc2c(cccc2OC(F)F)s1 ZINC000380473139 344984111 /nfs/dbraw/zinc/98/41/11/344984111.db2.gz JGGGVSQNYVWZBA-UHFFFAOYSA-N 0 0 240.234 2.964 10 30 BFEERN C[C@H]1SCC[C@@]1(C#N)NCc1ccccc1 ZINC000235673022 345012137 /nfs/dbraw/zinc/01/21/37/345012137.db2.gz HCBYOIZZILXGBX-YPMHNXCESA-N 0 0 232.352 2.564 10 30 BFEERN N#Cc1nc(Cl)ccc1OC(F)(F)F ZINC000238535079 345071755 /nfs/dbraw/zinc/07/17/55/345071755.db2.gz PBACUUFSRWSQBB-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN N#Cc1cc(NC(=O)[C@@H]2C[C@H]3C[C@H]3C2)ccc1F ZINC000249894994 362550232 /nfs/dbraw/zinc/55/02/32/362550232.db2.gz GKBMTMCWXLKIRR-ILWJIGKKSA-N 0 0 244.269 2.682 10 30 BFEERN Cc1c(Br)cc(F)cc1C#N ZINC000238503649 345065278 /nfs/dbraw/zinc/06/52/78/345065278.db2.gz IZKFFHQCXXOLGW-UHFFFAOYSA-N 0 0 214.037 2.768 10 30 BFEERN N#Cc1cnc(OC(F)(F)F)cc1Cl ZINC000238528979 345068087 /nfs/dbraw/zinc/06/80/87/345068087.db2.gz FMBFHOWCWJIRBC-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN Cc1cccc(-c2ccc(C)nc2C#N)n1 ZINC000146231373 345105451 /nfs/dbraw/zinc/10/54/51/345105451.db2.gz LGIMMVOJMNDKJO-UHFFFAOYSA-N 0 0 209.252 2.632 10 30 BFEERN Cc1ccc([C@@H](C#N)NC[C@H]2CCCO2)cc1C ZINC000037940290 178832024 /nfs/dbraw/zinc/83/20/24/178832024.db2.gz RSKKTSQIVDVLFZ-HUUCEWRRSA-N 0 0 244.338 2.637 10 30 BFEERN CC#CCCC(=O)c1cc(N)cc(Cl)c1 ZINC000226772546 345240878 /nfs/dbraw/zinc/24/08/78/345240878.db2.gz SSIAPFHIERYJDT-UHFFFAOYSA-N 0 0 221.687 2.908 10 30 BFEERN CC1(C)C[C@](Br)(C#N)C(C)(C)O1 ZINC000127643314 345209076 /nfs/dbraw/zinc/20/90/76/345209076.db2.gz PXRALSMOLKNHHW-VIFPVBQESA-N 0 0 232.121 2.621 10 30 BFEERN C[C@@H]1CCCC[C@]1(Br)C#N ZINC000127661057 345211838 /nfs/dbraw/zinc/21/18/38/345211838.db2.gz RSCCYQATYTUPSN-SFYZADRCSA-N 0 0 202.095 2.854 10 30 BFEERN C=C(Cl)CNc1nc(C)c(C)nc1Cl ZINC000229315147 345500764 /nfs/dbraw/zinc/50/07/64/345500764.db2.gz IYWRIOBJXPDYPM-UHFFFAOYSA-N 0 0 232.114 2.911 10 30 BFEERN C=C[C@H](C)Nc1cc(Br)nc(C)n1 ZINC000229320914 345505063 /nfs/dbraw/zinc/50/50/63/345505063.db2.gz MPOMHJAOIYJXDD-LURJTMIESA-N 0 0 242.120 2.534 10 30 BFEERN C=C(C)C(=O)OCCc1cccc(C)c1 ZINC000113214020 345753495 /nfs/dbraw/zinc/75/34/95/345753495.db2.gz JPTHRABUTMVMHR-UHFFFAOYSA-N 0 0 204.269 2.657 10 30 BFEERN C=C(C)C1=N[C@](C)(Cc2ccccc2)C(=O)O1 ZINC000113988492 345755343 /nfs/dbraw/zinc/75/53/43/345755343.db2.gz PAWWCZYDPHQUEE-CQSZACIVSA-N 0 0 229.279 2.519 10 30 BFEERN C[C@@H](O)C#Cc1ccc(Oc2ccc(F)cc2)o1 ZINC000138637464 345806189 /nfs/dbraw/zinc/80/61/89/345806189.db2.gz YOCOHNYADVILHM-SNVBAGLBSA-N 0 0 246.237 2.943 10 30 BFEERN C=CCCCCCCOCCOCCOC ZINC000034197409 345818702 /nfs/dbraw/zinc/81/87/02/345818702.db2.gz XPBXHELXCOPYQG-UHFFFAOYSA-N 0 0 230.348 2.803 10 30 BFEERN C#C[C@H](C)Nc1ccc(Cl)cc1C#N ZINC000164468111 345784443 /nfs/dbraw/zinc/78/44/43/345784443.db2.gz RBNSFGJSRKZVAY-QMMMGPOBSA-N 0 0 204.660 2.645 10 30 BFEERN COCOc1cc(C#N)ccc1-c1ccncc1 ZINC000140848560 345858284 /nfs/dbraw/zinc/85/82/84/345858284.db2.gz HXLLGJYCHSDOGN-UHFFFAOYSA-N 0 0 240.262 2.603 10 30 BFEERN Cc1ccc2c(c1)CCC(C[C@H](N)C#N)=C2 ZINC000034452326 345834003 /nfs/dbraw/zinc/83/40/03/345834003.db2.gz SGIFNQSVXBYNJY-AWEZNQCLSA-N 0 0 212.296 2.566 10 30 BFEERN C=CCCN(CC(=O)OC)[C@@H](C)c1ccccc1 ZINC000034584366 345834035 /nfs/dbraw/zinc/83/40/35/345834035.db2.gz OUCHLRSQZVZAOB-ZDUSSCGKSA-N 0 0 247.338 2.799 10 30 BFEERN N#CCOc1c(C#N)ccc2ccccc21 ZINC000136984779 345835130 /nfs/dbraw/zinc/83/51/30/345835130.db2.gz ZRSZQYDTSQAXBF-UHFFFAOYSA-N 0 0 208.220 2.614 10 30 BFEERN CC1=C(Br)C=CC(=O)[C@]1(C)F ZINC000143649981 345908577 /nfs/dbraw/zinc/90/85/77/345908577.db2.gz GVBSIJMCQKZPET-MRVPVSSYSA-N 0 0 219.053 2.522 10 30 BFEERN Cc1nnsc1C(=O)C1=CCCCC1 ZINC000235821684 345937334 /nfs/dbraw/zinc/93/73/34/345937334.db2.gz ZCRAHMRTHNWYBQ-UHFFFAOYSA-N 0 0 208.286 2.530 10 30 BFEERN N#CCc1csc(Cc2cccs2)n1 ZINC000061798208 345949790 /nfs/dbraw/zinc/94/97/90/345949790.db2.gz AHEKGTFXSVIGHE-UHFFFAOYSA-N 0 0 220.322 2.861 10 30 BFEERN CC(C)(C)c1ccc2oc(C#N)nc2c1 ZINC000075847273 537931786 /nfs/dbraw/zinc/93/17/86/537931786.db2.gz YAQFFBCUWNZFMC-UHFFFAOYSA-N 0 0 200.241 2.997 10 30 BFEERN C#CC(=O)c1cc(Cl)sc1Cl ZINC000236034739 346185268 /nfs/dbraw/zinc/18/52/68/346185268.db2.gz NWFWPNBEZQEAFM-UHFFFAOYSA-N 0 0 205.065 2.871 10 30 BFEERN N#Cc1sc(NCc2ccccc2)cc1N ZINC000236365370 346232172 /nfs/dbraw/zinc/23/21/72/346232172.db2.gz XQERGAMRTZNHLJ-UHFFFAOYSA-N 0 0 229.308 2.814 10 30 BFEERN O=C(C1=CCCCCCC1)[C@@H]1CCOC1 ZINC000236398524 346234898 /nfs/dbraw/zinc/23/48/98/346234898.db2.gz IQUCAZBAGVIRAJ-GFCCVEGCSA-N 0 0 208.301 2.873 10 30 BFEERN O=CCCSc1ccc(F)cc1F ZINC000062546551 346279026 /nfs/dbraw/zinc/27/90/26/346279026.db2.gz SULGYDZSCOTUED-UHFFFAOYSA-N 0 0 202.225 2.646 10 30 BFEERN Cc1cccc(CC(=NN)Nc2ccccc2)c1 ZINC000060393393 179051001 /nfs/dbraw/zinc/05/10/01/179051001.db2.gz KJLCSXHLQBGSPZ-UHFFFAOYSA-N 0 0 239.322 2.922 10 30 BFEERN CCN1c2cc(O)ccc2S/C1=C/C(C)=O ZINC000100766569 346426853 /nfs/dbraw/zinc/42/68/53/346426853.db2.gz GCSZJMUFYOAHFY-WUXMJOGZSA-N 0 0 235.308 2.755 10 30 in-vitro BFEERN Cc1c(C)n(Cc2cccc(C)c2)c(N)c1C#N ZINC000048266361 179109518 /nfs/dbraw/zinc/10/95/18/179109518.db2.gz AEYAHNBQGVIGLJ-UHFFFAOYSA-N 0 0 239.322 2.916 10 30 BFEERN Cc1cc(C#N)cc(NC2C[C@@H](C)O[C@H](C)C2)n1 ZINC000588009648 346618352 /nfs/dbraw/zinc/61/83/52/346618352.db2.gz KGLAGYNAPKQKDI-GHMZBOCLSA-N 0 0 245.326 2.630 10 30 BFEERN C=CCC[C@H](O)COc1ccc(F)cc1 ZINC000165998200 346662350 /nfs/dbraw/zinc/66/23/50/346662350.db2.gz FGVAPXDYQUSQPT-NSHDSACASA-N 0 0 210.248 2.532 10 30 BFEERN C=C(C(=O)OCC)[C@@H](O)c1ccc(C(C)C)cc1 ZINC000019836156 187370143 /nfs/dbraw/zinc/37/01/43/187370143.db2.gz DDFJHGVFSKGJOG-CQSZACIVSA-N 0 0 248.322 2.963 10 30 BFEERN Cc1cccc(OCCCC/C(N)=N/O)c1C ZINC000049580427 179164297 /nfs/dbraw/zinc/16/42/97/179164297.db2.gz PSSRHXVXKCIQGW-UHFFFAOYSA-N 0 0 236.315 2.599 10 30 BFEERN CCOC(=O)CC1([C@H]2CO2)CCC(CC)CC1 ZINC000675055245 537986930 /nfs/dbraw/zinc/98/69/30/537986930.db2.gz ZOSWYLFUEZJDLY-MBHSVXNSSA-N 0 0 240.343 2.925 10 30 BFEERN Cc1cccc([C@@H](C)NC[C@@H](C)C#N)c1 ZINC000054181151 179182440 /nfs/dbraw/zinc/18/24/40/179182440.db2.gz FCQWEBLIMVHLGK-NWDGAFQWSA-N 0 0 202.301 2.805 10 30 BFEERN COc1ccccc(-c2cccc(C#N)c2)c1=O ZINC000038977048 347174088 /nfs/dbraw/zinc/17/40/88/347174088.db2.gz YHDAZNHQHWDOLA-UHFFFAOYSA-N 0 0 237.258 2.594 10 30 BFEERN O=C1C=CO[C@@H](c2ccc(Cl)cc2)C1 ZINC000034590539 347181592 /nfs/dbraw/zinc/18/15/92/347181592.db2.gz WFZKKRQMSKMLNT-LLVKDONJSA-N 0 0 208.644 2.884 10 30 BFEERN Cc1ccccc1/N=C1/NC(=O)[C@@H](C(C)C)S1 ZINC000028826727 179244083 /nfs/dbraw/zinc/24/40/83/179244083.db2.gz WTDVJQRSTXJXKV-LLVKDONJSA-N 0 0 248.351 2.870 10 30 in-vivo BFEERN CC[C@](C)(C#N)C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000367704706 347580766 /nfs/dbraw/zinc/58/07/66/347580766.db2.gz FTVPSNDNEVQIEI-OUCADQQQSA-N 0 0 234.343 2.717 10 30 BFEERN CC[C@H](C#N)[S@](=O)[C@H]1CCC[C@H](C)C1 ZINC000251227818 362847969 /nfs/dbraw/zinc/84/79/69/362847969.db2.gz PFJGNSWELOHHSD-MIJXAVMKSA-N 0 0 213.346 2.616 10 30 BFEERN C[C@@H]1CC(CNc2ncccc2C#N)C[C@@H](C)O1 ZINC000359947750 187380186 /nfs/dbraw/zinc/38/01/86/187380186.db2.gz RZBZRWSMXIFSLL-GHMZBOCLSA-N 0 0 245.326 2.569 10 30 BFEERN CC(C)=CCC[C@H](C)CC(=O)N[C@H](C)C#N ZINC000592614401 347804015 /nfs/dbraw/zinc/80/40/15/347804015.db2.gz UETDXATWPXPAJE-NWDGAFQWSA-N 0 0 222.332 2.787 10 30 BFEERN N#CC1(C(=O)N[C@@H]2CCC[C@H]3C[C@H]32)CCCCC1 ZINC000592712400 347808383 /nfs/dbraw/zinc/80/83/83/347808383.db2.gz JABAPPPDWWCJKN-YNEHKIRRSA-N 0 0 246.354 2.765 10 30 BFEERN CCOP(=O)(OCC)[C@H]1CCC(C)=CC1=O ZINC000196324092 347867858 /nfs/dbraw/zinc/86/78/58/347867858.db2.gz SGKQJAJAXMWPGY-NSHDSACASA-N 0 0 246.243 2.930 10 30 BFEERN C=CCc1cc(CC)c2c(c1O)C(=O)CC2 ZINC000196524487 347918559 /nfs/dbraw/zinc/91/85/59/347918559.db2.gz CETSCMFRZLUPFZ-UHFFFAOYSA-N 0 0 216.280 2.812 10 30 BFEERN CCOC(=O)c1ccc2c(c1)C[C@H](CCC=O)C2 ZINC000216137702 349982477 /nfs/dbraw/zinc/98/24/77/349982477.db2.gz CLCZXGHMEGJKCL-LLVKDONJSA-N 0 0 246.306 2.557 10 30 BFEERN C=CCCC(=O)N[C@@H]1CCOc2ccccc21 ZINC000171423885 187390580 /nfs/dbraw/zinc/39/05/80/187390580.db2.gz DWGRNEVOXZATJJ-GFCCVEGCSA-N 0 0 231.295 2.593 10 30 BFEERN C[C@@H](C=O)Sc1ccc2c(c1)CCC2 ZINC000616571257 348193840 /nfs/dbraw/zinc/19/38/40/348193840.db2.gz GEDNOQJNXREVAM-VIFPVBQESA-N 0 0 206.310 2.855 10 30 BFEERN C[C@@H](C#N)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000051609397 349983515 /nfs/dbraw/zinc/98/35/15/349983515.db2.gz HNPHYFNCFNJNEJ-LURJTMIESA-N 0 0 226.619 2.539 10 30 BFEERN C[C@H](C=O)Sc1cc2ccccc2[nH]1 ZINC000616571398 348201282 /nfs/dbraw/zinc/20/12/82/348201282.db2.gz GQNRLANMPIKDTO-MRVPVSSYSA-N 0 0 205.282 2.847 10 30 BFEERN N#C[C@@H](c1ccsc1)N1CCCCC1 ZINC000037356900 348346632 /nfs/dbraw/zinc/34/66/32/348346632.db2.gz URNMAZBYXQAQBX-NSHDSACASA-N 0 0 206.314 2.799 10 30 BFEERN Cc1cc(Br)c2cc(C#N)cn2c1 ZINC000261507648 187396022 /nfs/dbraw/zinc/39/60/22/187396022.db2.gz KRDPSYOQBNTFLJ-UHFFFAOYSA-N 0 0 235.084 2.882 10 30 BFEERN C=C1CN(C(=O)OC(C)(C)C)C2(CC2)C1 ZINC000261507929 187396434 /nfs/dbraw/zinc/39/64/34/187396434.db2.gz NXFXDDPTQYRBHX-UHFFFAOYSA-N 0 0 209.289 2.716 10 30 BFEERN N#CCc1cccc(N[C@@H]2CO[C@H](C3CC3)C2)c1 ZINC000597148191 348664941 /nfs/dbraw/zinc/66/49/41/348664941.db2.gz SQNDRPYZMQWWJM-GJZGRUSLSA-N 0 0 242.322 2.732 10 30 BFEERN N#Cc1cccc(N[C@@H]2CO[C@@H](C3CC3)C2)c1 ZINC000596977355 348638552 /nfs/dbraw/zinc/63/85/52/348638552.db2.gz KGFYKLQCUKDNSR-UONOGXRCSA-N 0 0 228.295 2.538 10 30 BFEERN CC(=O)c1ccc(C#N)c(N[C@@H]2C[C@@H]2C)c1 ZINC000273192722 187399988 /nfs/dbraw/zinc/39/99/88/187399988.db2.gz JIUPATLNUUFCDC-QPUJVOFHSA-N 0 0 214.268 2.581 10 30 BFEERN COc1cccc(C#Cc2cccc(N)c2)c1 ZINC000037547744 348845978 /nfs/dbraw/zinc/84/59/78/348845978.db2.gz UFKOFDSNFVJXDN-UHFFFAOYSA-N 0 0 223.275 2.677 10 30 BFEERN C=CCOc1ccc(OCC)c(C#N)c1 ZINC000039099194 348931682 /nfs/dbraw/zinc/93/16/82/348931682.db2.gz MVEZNKOCPOPUPZ-UHFFFAOYSA-N 0 0 203.241 2.522 10 30 BFEERN N#CCC[C@](C#N)(c1ccccc1)c1cnccn1 ZINC000005490091 187411617 /nfs/dbraw/zinc/41/16/17/187411617.db2.gz FWZLSJMQKWJVGA-HNNXBMFYSA-N 0 0 248.289 2.590 10 30 BFEERN Cc1cnn([C@H](CC#N)c2ccccc2)c1 ZINC000055020860 179748199 /nfs/dbraw/zinc/74/81/99/179748199.db2.gz RKNFKILKKVTZMQ-CYBMUJFWSA-N 0 0 211.268 2.695 10 30 BFEERN N#Cc1cnc2c(Cl)cc(Cl)cn12 ZINC000036291655 187421778 /nfs/dbraw/zinc/42/17/78/187421778.db2.gz ASVHMJZXIZMNDX-UHFFFAOYSA-N 0 0 212.039 2.513 10 30 BFEERN C[C@@H](C=O)Sc1cc(F)ccc1F ZINC000616573544 349071526 /nfs/dbraw/zinc/07/15/26/349071526.db2.gz STQDCCRGHQSQTE-LURJTMIESA-N 0 0 202.225 2.644 10 30 BFEERN CCn1nc(C)c(-c2cc(CS)no2)c1C ZINC000725252157 538033753 /nfs/dbraw/zinc/03/37/53/538033753.db2.gz GLPBZTFQSCFIEL-UHFFFAOYSA-N 0 0 237.328 2.605 10 30 BFEERN OC1(CC#Cc2cccs2)CCCC1 ZINC000616581047 349261098 /nfs/dbraw/zinc/26/10/98/349261098.db2.gz CFMUIENUCTUWFH-UHFFFAOYSA-N 0 0 206.310 2.795 10 30 BFEERN CO/C(SC)=C1\Cc2ccccc2C1=O ZINC000201129499 490246645 /nfs/dbraw/zinc/24/66/45/490246645.db2.gz YGWCZZFYAWJGFH-BENRWUELSA-N 0 0 220.293 2.646 10 30 BFEERN CC(C)(C)OC(=O)N1CC(C)(C)CC[C@@H]1C=O ZINC000616583214 349307203 /nfs/dbraw/zinc/30/72/03/349307203.db2.gz XRUPEDVKHIJTTG-SNVBAGLBSA-N 0 0 241.331 2.611 10 30 BFEERN Cc1nc(-c2ccco2)sc1CC#N ZINC000082421434 179869128 /nfs/dbraw/zinc/86/91/28/179869128.db2.gz GLHJYILIEUZFPI-UHFFFAOYSA-N 0 0 204.254 2.778 10 30 BFEERN C[C@@](C#N)(CC1CC1)c1cnc(C(F)F)nc1 ZINC000217350563 350051342 /nfs/dbraw/zinc/05/13/42/350051342.db2.gz ASQUHVHDQLACLK-LBPRGKRZSA-N 0 0 237.253 2.996 10 30 BFEERN Cc1nc(N[C@H]2C[C@@H]2C)c(Cl)cc1C#N ZINC000292796050 180025203 /nfs/dbraw/zinc/02/52/03/180025203.db2.gz YFQDRBKELFPNPM-WKEGUHRASA-N 0 0 221.691 2.735 10 30 BFEERN CC(N=O)=NN=c1[nH]c2ccccc2s1 ZINC000100298907 191062502 /nfs/dbraw/zinc/06/25/02/191062502.db2.gz ZFSFHAGITKKLTE-IZZDOVSWSA-N 0 0 220.257 2.808 10 30 BFEERN C[C@H](Oc1cc(F)ccc1N)C(C)(C)C#N ZINC000309225579 350212830 /nfs/dbraw/zinc/21/28/30/350212830.db2.gz TWRVTHTYYJHALV-QMMMGPOBSA-N 0 0 222.263 2.725 10 30 BFEERN Cc1c(C#N)cc(Br)cc1[N+](=O)[O-] ZINC000014984977 350228563 /nfs/dbraw/zinc/22/85/63/350228563.db2.gz HBONHUOGXRYXIG-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN Cc1nccn1-c1cc(Cl)ccc1C#N ZINC000062790120 180229237 /nfs/dbraw/zinc/22/92/37/180229237.db2.gz JSYIFPLOXRFISK-UHFFFAOYSA-N 0 0 217.659 2.706 10 30 BFEERN C=C(F)C1(CC(=O)OC)CCSCC1 ZINC000725260470 538082583 /nfs/dbraw/zinc/08/25/83/538082583.db2.gz SXXCVVMHOKDGKR-UHFFFAOYSA-N 0 0 218.293 2.546 10 30 BFEERN CCc1nc(CN[C@H]2CCCC[C@H]2C#N)cs1 ZINC000328158099 350376487 /nfs/dbraw/zinc/37/64/87/350376487.db2.gz UQMITVPHAQQASE-JQWIXIFHSA-N 0 0 249.383 2.877 10 30 BFEERN Cc1nn(C)c(NC2CCCCCC2)c1C#N ZINC000111349886 180358909 /nfs/dbraw/zinc/35/89/09/180358909.db2.gz HLFURYCITPMUFW-UHFFFAOYSA-N 0 0 232.331 2.735 10 30 BFEERN Cc1nn(C)c(O[C@H]2CCCC[C@H]2C)c1C#N ZINC000104312455 180361837 /nfs/dbraw/zinc/36/18/37/180361837.db2.gz CLACOTXGHPLTOS-SKDRFNHKSA-N 0 0 233.315 2.558 10 30 BFEERN Cc1nn(C)c(Sc2ccccc2)c1C#N ZINC000095347684 180362180 /nfs/dbraw/zinc/36/21/80/180362180.db2.gz UBYZQZMWDGWXNK-UHFFFAOYSA-N 0 0 229.308 2.751 10 30 BFEERN CCCN(CC#N)C[C@@H]1CCOc2ccccc21 ZINC000162838454 350442537 /nfs/dbraw/zinc/44/25/37/350442537.db2.gz OTTJCBSGMOASFS-ZDUSSCGKSA-N 0 0 244.338 2.788 10 30 BFEERN C#CCn1nc(-c2cccs2)c2c1CCC2 ZINC000409437381 350481150 /nfs/dbraw/zinc/48/11/50/350481150.db2.gz GLDLXGWBUCDAOR-UHFFFAOYSA-N 0 0 228.320 2.734 10 30 BFEERN CN[C@H](C#N)c1cc(Br)c(C)s1 ZINC000227888521 350518023 /nfs/dbraw/zinc/51/80/23/350518023.db2.gz DNEWBWAUEJTODO-SSDOTTSWSA-N 0 0 245.145 2.603 10 30 BFEERN CC(C)=CCCNc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000302719695 191120957 /nfs/dbraw/zinc/12/09/57/191120957.db2.gz KTTCJKANMPEOSO-UHFFFAOYSA-N 0 0 246.270 2.630 10 30 BFEERN Cc1ccc(C(=O)[C@H](C)C#N)cc1Cl ZINC000063021908 350782250 /nfs/dbraw/zinc/78/22/50/350782250.db2.gz CDPJSHQUDWJWCL-MRVPVSSYSA-N 0 0 207.660 2.991 10 30 BFEERN N#Cc1ccc([C@H]2CCCCCN2C(N)=O)cc1 ZINC000616605775 350794968 /nfs/dbraw/zinc/79/49/68/350794968.db2.gz RAEBZQLXUIIHFT-CYBMUJFWSA-N 0 0 243.310 2.554 10 30 BFEERN C[C@@H]1C[C@H]1CN(C)c1nc(Cl)c(C#N)s1 ZINC000306734265 350904141 /nfs/dbraw/zinc/90/41/41/350904141.db2.gz UNYRIAFKZRQLGY-RQJHMYQMSA-N 0 0 241.747 2.760 10 30 BFEERN O=C[C@@H]1CC[C@@H](c2cc(F)cc(Cl)c2)O1 ZINC000306722098 350889206 /nfs/dbraw/zinc/88/92/06/350889206.db2.gz FHPYINXIZAASAY-QWRGUYRKSA-N 0 0 228.650 2.898 10 30 BFEERN O=C(C1=COCC1)c1c(F)cccc1Cl ZINC000306723161 350892179 /nfs/dbraw/zinc/89/21/79/350892179.db2.gz GNXJDELLWJBBDG-UHFFFAOYSA-N 0 0 226.634 2.966 10 30 BFEERN C=CCCC(=O)c1cc(F)cc(OC)c1 ZINC000382676788 350944080 /nfs/dbraw/zinc/94/40/80/350944080.db2.gz VCSSIXNSMUFYAB-UHFFFAOYSA-N 0 0 208.232 2.983 10 30 BFEERN C[C@@](O)(CC=O)c1ccc(Cl)cc1Cl ZINC000306824743 351132044 /nfs/dbraw/zinc/13/20/44/351132044.db2.gz VAKKFBBPZNQEEN-SNVBAGLBSA-N 0 0 233.094 2.790 10 30 BFEERN C=C(Cl)CNc1nc(Cl)cs1 ZINC000168015287 351260280 /nfs/dbraw/zinc/26/02/80/351260280.db2.gz FRZBXWSHIZNERU-UHFFFAOYSA-N 0 0 209.101 2.961 10 30 BFEERN CC(=O)/C(C)=C/c1cncc(Br)c1 ZINC000231745599 351288714 /nfs/dbraw/zinc/28/87/14/351288714.db2.gz YILYQXVOIZDELX-XVNBXDOJSA-N 0 0 240.100 2.836 10 30 BFEERN C[C@]1([C@H]2CC[C@@H](CC#N)O2)CCCS1 ZINC000306884389 351290366 /nfs/dbraw/zinc/29/03/66/351290366.db2.gz MAWGAWHDNUBQLK-HBNTYKKESA-N 0 0 211.330 2.733 10 30 BFEERN C[C@]1([C@H]2CC[C@H](CC#N)O2)CCCS1 ZINC000306884388 351290550 /nfs/dbraw/zinc/29/05/50/351290550.db2.gz MAWGAWHDNUBQLK-GMTAPVOTSA-N 0 0 211.330 2.733 10 30 BFEERN Cc1cc(F)cc(C(=O)C2=CCCO2)c1 ZINC000168107025 351295253 /nfs/dbraw/zinc/29/52/53/351295253.db2.gz KYPSGGCJRODDNA-UHFFFAOYSA-N 0 0 206.216 2.621 10 30 BFEERN C(#Cc1ccccc1)CO[C@@H]1CCCCO1 ZINC000038212819 351335304 /nfs/dbraw/zinc/33/53/04/351335304.db2.gz XUAWRPGYBOPXTL-CQSZACIVSA-N 0 0 216.280 2.581 10 30 BFEERN N#CCc1c(Cl)cncc1C(F)(F)F ZINC000306897281 351309577 /nfs/dbraw/zinc/30/95/77/351309577.db2.gz SMQMHEMECWQVEP-UHFFFAOYSA-N 0 0 220.581 2.820 10 30 BFEERN N#CCCNc1nc(Cl)ccc1Cl ZINC000306981107 351401054 /nfs/dbraw/zinc/40/10/54/351401054.db2.gz GNJWDQKSVKMYMI-UHFFFAOYSA-N 0 0 216.071 2.714 10 30 BFEERN Cc1ccc(Cl)c(CC#N)c1[N+](=O)[O-] ZINC000307070719 351465794 /nfs/dbraw/zinc/46/57/94/351465794.db2.gz FLESXRYZCHENIY-UHFFFAOYSA-N 0 0 210.620 2.623 10 30 BFEERN COc1ccc(CN[C@@H]2CCC[C@H]2C#N)c(F)c1 ZINC000405028376 351468902 /nfs/dbraw/zinc/46/89/02/351468902.db2.gz OILSLVUTEHZPIN-IINYFYTJSA-N 0 0 248.301 2.616 10 30 BFEERN CC(C)(C=O)Oc1ccc(F)c(Cl)c1 ZINC000307166205 351530769 /nfs/dbraw/zinc/53/07/69/351530769.db2.gz OIGGRWYKZDTWFS-UHFFFAOYSA-N 0 0 216.639 2.835 10 30 BFEERN Cn1c2cccc(C#N)c2nc1C(C)(C)C ZINC000076212881 180615496 /nfs/dbraw/zinc/61/54/96/180615496.db2.gz JJEIVQNJDLATIA-UHFFFAOYSA-N 0 0 213.284 2.742 10 30 BFEERN C[C@@H]1CC[C@H](C[C@@]2(C#N)CCCS2)O1 ZINC000232059584 351605577 /nfs/dbraw/zinc/60/55/77/351605577.db2.gz KKUYVHIWXHAMFL-GMTAPVOTSA-N 0 0 211.330 2.733 10 30 BFEERN N#CC1CC(OCc2cccc(F)c2)C1 ZINC000606302527 351556718 /nfs/dbraw/zinc/55/67/18/351556718.db2.gz OKXZNQIHJJWOQU-UHFFFAOYSA-N 0 0 205.232 2.644 10 30 BFEERN Cc1cc(F)ccc1[C@H]1CC[C@@H](C=O)O1 ZINC000307215104 351615544 /nfs/dbraw/zinc/61/55/44/351615544.db2.gz AVJVQZZGAWLPKA-CMPLNLGQSA-N 0 0 208.232 2.553 10 30 BFEERN O=CCCC1(O)CCC2(CCCC2)CC1 ZINC000307241485 351747240 /nfs/dbraw/zinc/74/72/40/351747240.db2.gz IRXJQNQNKJEIHQ-UHFFFAOYSA-N 0 0 210.317 2.831 10 30 BFEERN CC[C@H](S)C(=O)N(CC)Cc1ccccc1 ZINC000307254264 351788546 /nfs/dbraw/zinc/78/85/46/351788546.db2.gz XHDZVFVBMCVXIW-LBPRGKRZSA-N 0 0 237.368 2.744 10 30 BFEERN COc1cc(F)cc(C(=O)C=C(C)C)c1 ZINC000307254564 351789388 /nfs/dbraw/zinc/78/93/88/351789388.db2.gz XZGZPSBTFFYQAZ-UHFFFAOYSA-N 0 0 208.232 2.983 10 30 BFEERN C[C@@H](C#N)Nc1c(F)cccc1Br ZINC000232125343 351835118 /nfs/dbraw/zinc/83/51/18/351835118.db2.gz BNPBHDJLTIYMOG-LURJTMIESA-N 0 0 243.079 2.912 10 30 BFEERN N#CCc1cc(Cl)c(Cl)c([N+](=O)[O-])c1 ZINC000307288332 351853886 /nfs/dbraw/zinc/85/38/86/351853886.db2.gz BNPHUSBTIOFIHF-UHFFFAOYSA-N 0 0 231.038 2.968 10 30 BFEERN CC(C)COCc1ccc(C#CCCO)cc1 ZINC000049620926 187531065 /nfs/dbraw/zinc/53/10/65/187531065.db2.gz YJZNPJOHLNTMFM-UHFFFAOYSA-N 0 0 232.323 2.593 10 30 BFEERN C=CC[C@@H]1CCC(=O)N1CCc1ccccc1 ZINC000005480651 187537428 /nfs/dbraw/zinc/53/74/28/187537428.db2.gz PDLANASAQHMCLY-CQSZACIVSA-N 0 0 229.323 2.796 10 30 BFEERN CCOc1ccc(C2=CC(=O)C[C@](C)(O)C2)cc1 ZINC000040175000 351989179 /nfs/dbraw/zinc/98/91/79/351989179.db2.gz ZRTQNHOXKUNKSJ-OAHLLOKOSA-N 0 0 246.306 2.583 10 30 BFEERN O=C[C@@H]1CC[C@H](c2ccc(Cl)s2)O1 ZINC000307335969 352052586 /nfs/dbraw/zinc/05/25/86/352052586.db2.gz NGMAYNAAGPFZKU-NKWVEPMBSA-N 0 0 216.689 2.821 10 30 BFEERN O=C[C@H]1CC[C@@H](c2ccc(Cl)s2)O1 ZINC000307335971 352052620 /nfs/dbraw/zinc/05/26/20/352052620.db2.gz NGMAYNAAGPFZKU-RQJHMYQMSA-N 0 0 216.689 2.821 10 30 BFEERN CCOc1ccc(-c2cc(C#N)no2)cc1 ZINC000040175382 352163700 /nfs/dbraw/zinc/16/37/00/352163700.db2.gz GJGCJAFCWOXLPW-UHFFFAOYSA-N 0 0 214.224 2.612 10 30 BFEERN Cc1c2c(Br)c[nH]c2ncc1C#N ZINC000044712629 352384335 /nfs/dbraw/zinc/38/43/35/352384335.db2.gz TVRMCXFWGLWFBP-UHFFFAOYSA-N 0 0 236.072 2.506 10 30 BFEERN C=CCNC(=S)Nc1ccsc1Cl ZINC000307380020 352477087 /nfs/dbraw/zinc/47/70/87/352477087.db2.gz ZMLFUEOYENRMRJ-UHFFFAOYSA-N 0 0 232.761 2.874 10 30 BFEERN N#Cc1ccc(Br)c(Cl)c1N ZINC000307471590 352612868 /nfs/dbraw/zinc/61/28/68/352612868.db2.gz RSWRJLHPURAGKJ-UHFFFAOYSA-N 0 0 231.480 2.556 10 30 BFEERN CC#C[C@@H](O)c1ccc(Br)s1 ZINC000307534374 352639803 /nfs/dbraw/zinc/63/98/03/352639803.db2.gz AVCLWSZSGUZEDP-ZCFIWIBFSA-N 0 0 231.114 2.567 10 30 BFEERN O=C1C=CO[C@H](c2sccc2Cl)C1 ZINC000307545256 352644219 /nfs/dbraw/zinc/64/42/19/352644219.db2.gz JGXPOZPDKCDOHI-QMMMGPOBSA-N 0 0 214.673 2.946 10 30 BFEERN Cc1ccc(F)c([C@@H]2CC[C@@H](C=O)O2)c1 ZINC000307542820 352644401 /nfs/dbraw/zinc/64/44/01/352644401.db2.gz ARYMZSHEQHEBIV-CABZTGNLSA-N 0 0 208.232 2.553 10 30 BFEERN Cc1c(Br)cc(C#N)cc1[N+](=O)[O-] ZINC000043220577 187777202 /nfs/dbraw/zinc/77/72/02/187777202.db2.gz BCEZUDAZGZYEIW-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN C=C(Cl)COc1ccc(CC#N)cc1 ZINC000019519532 187825652 /nfs/dbraw/zinc/82/56/52/187825652.db2.gz WAOVSSIVHRSIML-UHFFFAOYSA-N 0 0 207.660 2.884 10 30 BFEERN [N-]=[N+]=Nc1c(Br)cncc1[N+](=O)[O-] ZINC000232478057 352740512 /nfs/dbraw/zinc/74/05/12/352740512.db2.gz HULAUPJSRIUEMZ-UHFFFAOYSA-N 0 0 244.008 2.694 10 30 BFEERN Cn1cnnc1S[C@H](CC#N)c1ccccc1 ZINC000055022467 180797744 /nfs/dbraw/zinc/79/77/44/180797744.db2.gz AZIJQPXAMYRMDJ-LLVKDONJSA-N 0 0 244.323 2.562 10 30 BFEERN C[C@@H]1CC(=O)C=C(CC[C@@H]2CCCO2)C1 ZINC000306234610 352998184 /nfs/dbraw/zinc/99/81/84/352998184.db2.gz JUCLPVNTVGYTMK-GWCFXTLKSA-N 0 0 208.301 2.871 10 30 BFEERN Cc1cc(C)c(C)c(OC(C)(C)C=O)c1 ZINC000307166111 353058644 /nfs/dbraw/zinc/05/86/44/353058644.db2.gz NZWOMXSERVZNGO-UHFFFAOYSA-N 0 0 206.285 2.968 10 30 BFEERN CCOC(=O)[C@@H]1O[C@@]1(C)CCC(C)(C)C ZINC000308902737 538107324 /nfs/dbraw/zinc/10/73/24/538107324.db2.gz CLONSEXEJLHXHK-CABZTGNLSA-N 0 0 214.305 2.533 10 30 BFEERN C[C@]1(c2cccs2)CCC[C@H](C=O)O1 ZINC000307728896 353114975 /nfs/dbraw/zinc/11/49/75/353114975.db2.gz FOXDRUDWMGFHSO-MWLCHTKSSA-N 0 0 210.298 2.731 10 30 BFEERN O=C(c1ccc(Cl)nc1)C1=COCCC1 ZINC000160026580 353096165 /nfs/dbraw/zinc/09/61/65/353096165.db2.gz BHKWDPDNFBKSGL-UHFFFAOYSA-N 0 0 223.659 2.612 10 30 BFEERN CC#CCCNc1cncc(Br)c1 ZINC000229331006 353125045 /nfs/dbraw/zinc/12/50/45/353125045.db2.gz MTECYDAKVKXDPA-UHFFFAOYSA-N 0 0 239.116 2.669 10 30 BFEERN Cc1ccccc1[C@@H]1CCC[C@H](C=O)O1 ZINC000307750731 353125957 /nfs/dbraw/zinc/12/59/57/353125957.db2.gz KXRIAQQROLKYGW-YPMHNXCESA-N 0 0 204.269 2.804 10 30 BFEERN N#C[C@H](C(=O)C1CCC1)c1cccs1 ZINC000052902545 353132057 /nfs/dbraw/zinc/13/20/57/353132057.db2.gz XDAXQBDPMCMCNZ-VIFPVBQESA-N 0 0 205.282 2.724 10 30 BFEERN C#CC(C)(C)Oc1ccc(C=O)c(Cl)c1 ZINC000232580399 353138418 /nfs/dbraw/zinc/13/84/18/353138418.db2.gz BDMDMCUFLZYCLR-UHFFFAOYSA-N 0 0 222.671 2.943 10 30 BFEERN C=C(C(=O)OCC)[C@@H](O)c1cc2ccccc2o1 ZINC000019835528 188059164 /nfs/dbraw/zinc/05/91/64/188059164.db2.gz LZZCOEDHHCMHRY-CYBMUJFWSA-N 0 0 246.262 2.586 10 30 BFEERN CC(C)[C@@H]1CCCN(c2nccc(C#N)n2)CC1 ZINC000231902292 188081045 /nfs/dbraw/zinc/08/10/45/188081045.db2.gz ZTCNHFXEMVDDBZ-GFCCVEGCSA-N 0 0 244.342 2.611 10 30 BFEERN C#CCC(=O)c1cccc(Br)c1 ZINC000051074321 353173463 /nfs/dbraw/zinc/17/34/63/353173463.db2.gz MFCDFVKZSLSXHX-UHFFFAOYSA-N 0 0 223.069 2.655 10 30 BFEERN C[C@@H](Nc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000035238217 188111890 /nfs/dbraw/zinc/11/18/90/188111890.db2.gz GYNCABRLGDCZDN-MFKMUULPSA-N 0 0 216.284 2.538 10 30 BFEERN CC(C)(C)c1cc(N)n(-c2cccc(C#N)c2)n1 ZINC000035779292 188112483 /nfs/dbraw/zinc/11/24/83/188112483.db2.gz PLBIIYNGXZDKGO-UHFFFAOYSA-N 0 0 240.310 2.624 10 30 BFEERN SCCOc1ccc2ncccc2c1 ZINC000041213719 188119003 /nfs/dbraw/zinc/11/90/03/188119003.db2.gz CXSMCNVAVNRUOI-UHFFFAOYSA-N 0 0 205.282 2.543 10 30 BFEERN N#Cc1c(OC2CC2)cncc1C(F)(F)F ZINC000095734709 188146245 /nfs/dbraw/zinc/14/62/45/188146245.db2.gz JCHGGJBVTLDNOT-UHFFFAOYSA-N 0 0 228.173 2.513 10 30 BFEERN CC(C)(C)c1cc(C#N)ncc1OC1CC1 ZINC000095736500 188147295 /nfs/dbraw/zinc/14/72/95/188147295.db2.gz MIXPNJZRZWTMCZ-UHFFFAOYSA-N 0 0 216.284 2.792 10 30 BFEERN CC(C)[C@H]1CCc2nc(CC#N)sc2C1 ZINC000054556827 188177589 /nfs/dbraw/zinc/17/75/89/188177589.db2.gz CBIXMNPIQSSHEC-VIFPVBQESA-N 0 0 220.341 2.970 10 30 BFEERN N#C[C@@]1(N2CCCCCC2)CCCSC1 ZINC000061590829 188184163 /nfs/dbraw/zinc/18/41/63/188184163.db2.gz VDWCUKXRVCHWMI-LBPRGKRZSA-N 0 0 224.373 2.652 10 30 BFEERN CC#CC[C@H](O)c1cc(Br)cs1 ZINC000070598922 353259029 /nfs/dbraw/zinc/25/90/29/353259029.db2.gz LZQBKWONJNRMPF-QMMMGPOBSA-N 0 0 245.141 2.957 10 30 BFEERN CC(C)C[C@H](C)OCc1ccc(C#CC[NH3+])cc1 ZINC000049610808 188219066 /nfs/dbraw/zinc/21/90/66/188219066.db2.gz SPFSFIQSGDBRCM-AWEZNQCLSA-N 0 0 245.366 2.948 10 30 BFEERN C=CCn1cnc(-c2ccc(C)cc2)c1N ZINC000105032774 188225496 /nfs/dbraw/zinc/22/54/96/188225496.db2.gz HDQJTVWDCDYNEY-UHFFFAOYSA-N 0 0 213.284 2.627 10 30 BFEERN CC(=O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000090756206 353394098 /nfs/dbraw/zinc/39/40/98/353394098.db2.gz KVROLDLJNLTIEV-UHFFFAOYSA-N 0 0 212.170 2.646 10 30 BFEERN CC[C@@H]1CC[C@@]2(C1)O[C@]2(C(=O)OC)C(C)C ZINC000227251797 538116962 /nfs/dbraw/zinc/11/69/62/538116962.db2.gz SBXSFMDMOAKLPG-WXHSDQCUSA-N 0 0 226.316 2.533 10 30 BFEERN C=C(C)CSCc1nnc(C(C)C)n1C ZINC000182356559 353470357 /nfs/dbraw/zinc/47/03/57/353470357.db2.gz ACYVCLHUGODCIR-UHFFFAOYSA-N 0 0 225.361 2.748 10 30 BFEERN CC(C)[C@@H](S)C(=O)Nc1ccsc1 ZINC000232791699 353473721 /nfs/dbraw/zinc/47/37/21/353473721.db2.gz WONMQENSKWBILH-MRVPVSSYSA-N 0 0 215.343 2.641 10 30 BFEERN CCc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000061889072 353543079 /nfs/dbraw/zinc/54/30/79/353543079.db2.gz SPOQSMKMNAFKKA-KGLIPLIRSA-N 0 0 242.322 2.671 10 30 BFEERN C/C=C/C(=O)c1cc(F)c(F)cc1F ZINC000231142269 353568925 /nfs/dbraw/zinc/56/89/25/353568925.db2.gz YFKZQIDXVNRFOQ-NSCUHMNNSA-N 0 0 200.159 2.863 10 30 BFEERN Fc1cccc(C[C@H]2COCC[C@H]2S)c1 ZINC000095077106 180999616 /nfs/dbraw/zinc/99/96/16/180999616.db2.gz VRSLPLZYMKLYDD-CMPLNLGQSA-N 0 0 226.316 2.703 10 30 BFEERN C[C@H](C#N)Nc1cc(F)ccc1Br ZINC000232247477 353704621 /nfs/dbraw/zinc/70/46/21/353704621.db2.gz DUARXUHRWBLHFO-ZCFIWIBFSA-N 0 0 243.079 2.912 10 30 BFEERN N#Cc1cccc(CNc2cccc(F)c2N)c1 ZINC000051667504 188482071 /nfs/dbraw/zinc/48/20/71/188482071.db2.gz JRFNCGWRCDKOEP-UHFFFAOYSA-N 0 0 241.269 2.892 10 30 BFEERN C#C[C@H](O)c1ccc(Cl)c(Br)c1 ZINC000137217079 353758607 /nfs/dbraw/zinc/75/86/07/353758607.db2.gz HUZAURKRAVPQTL-VIFPVBQESA-N 0 0 245.503 2.769 10 30 BFEERN C=C(C)C[C@H](C)C(=O)N1CCS[C@H](C)C1 ZINC000185472639 353808562 /nfs/dbraw/zinc/80/85/62/353808562.db2.gz KKQHPAVKYLTMSB-WDEREUQCSA-N 0 0 227.373 2.553 10 30 BFEERN N#CC1(NCc2cccs2)CCSCC1 ZINC000041048781 181030902 /nfs/dbraw/zinc/03/09/02/181030902.db2.gz SFBMXMKDJCWGSZ-UHFFFAOYSA-N 0 0 238.381 2.627 10 30 BFEERN N#CC[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000085878239 181044808 /nfs/dbraw/zinc/04/48/08/181044808.db2.gz PPTNXEHDMZHGOJ-SECBINFHSA-N 0 0 216.067 2.940 10 30 BFEERN N#CC[C@H](C#N)c1c(F)cccc1Cl ZINC000041218116 181046058 /nfs/dbraw/zinc/04/60/58/181046058.db2.gz YMQWKXDWRNDKRV-SSDOTTSWSA-N 0 0 208.623 3.000 10 30 BFEERN N#C[C@@H](C=O)c1ccc(Cl)cc1Cl ZINC000005248722 181054148 /nfs/dbraw/zinc/05/41/48/181054148.db2.gz JJCRMZQGSNLGHK-LURJTMIESA-N 0 0 214.051 2.799 10 30 BFEERN N#CCc1ccc(N[C@@H]2CCC[C@H]2C#N)cc1 ZINC000054829173 181048483 /nfs/dbraw/zinc/04/84/83/181048483.db2.gz XWZBBARTUOZFCC-GXTWGEPZSA-N 0 0 225.295 2.857 10 30 BFEERN N#CCc1ccc(NCc2ccc[nH]2)cc1 ZINC000051788754 181048549 /nfs/dbraw/zinc/04/85/49/181048549.db2.gz WIDJDWBECRQPRC-UHFFFAOYSA-N 0 0 211.268 2.693 10 30 BFEERN N#C[C@@H](NCc1ccccc1)c1cccc(O)c1 ZINC000037939427 181057192 /nfs/dbraw/zinc/05/71/92/181057192.db2.gz ODKJQKRDWHWHSQ-OAHLLOKOSA-N 0 0 238.290 2.747 10 30 BFEERN N#C[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000071621959 181066892 /nfs/dbraw/zinc/06/68/92/181066892.db2.gz SKXSIKZORVYEAN-MRVPVSSYSA-N 0 0 203.138 2.995 10 30 BFEERN N#C[C@H](NCc1ccccc1)c1ccc(O)cc1 ZINC000037939428 181066189 /nfs/dbraw/zinc/06/61/89/181066189.db2.gz RZOUAIKGSNOAJG-HNNXBMFYSA-N 0 0 238.290 2.747 10 30 BFEERN N#C[C@@H](c1ccc(F)cc1)N1CCCCC1 ZINC000019934231 181057836 /nfs/dbraw/zinc/05/78/36/181057836.db2.gz LSGCTWYYXBJXOA-ZDUSSCGKSA-N 0 0 218.275 2.876 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1Nc1ccccc1F ZINC000054824050 181060090 /nfs/dbraw/zinc/06/00/90/181060090.db2.gz JXSRXQUWPHVPQE-ONGXEEELSA-N 0 0 204.248 2.930 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(F)cc1 ZINC000054824037 181061062 /nfs/dbraw/zinc/06/10/62/181061062.db2.gz NWOZUASYHXJRFT-WCQYABFASA-N 0 0 218.275 2.608 10 30 BFEERN N#C[C@H](C(=O)c1ccco1)c1cccc(F)c1 ZINC000036931202 181063045 /nfs/dbraw/zinc/06/30/45/181063045.db2.gz SGDYQWFTYHOSPE-NSHDSACASA-N 0 0 229.210 2.909 10 30 BFEERN N#CC1=C(c2ccccc2)CSC1=O ZINC000031862564 181071947 /nfs/dbraw/zinc/07/19/47/181071947.db2.gz SQTMVNBTYUFRAC-UHFFFAOYSA-N 0 0 201.250 2.992 10 30 BFEERN N#Cc1c(Cl)cc(Cl)nc1Cl ZINC000033506548 181073273 /nfs/dbraw/zinc/07/32/73/181073273.db2.gz GCNVFPGCHKJKJK-UHFFFAOYSA-N 0 0 207.447 2.913 10 30 BFEERN N#Cc1c(Cl)nc2c(Cl)cc(F)cn12 ZINC000082694120 181073487 /nfs/dbraw/zinc/07/34/87/181073487.db2.gz FSRVKMRZEIBUGG-UHFFFAOYSA-N 0 0 230.029 2.652 10 30 BFEERN N#Cc1c(Cl)cccc1NCc1ncc[nH]1 ZINC000070819944 181074091 /nfs/dbraw/zinc/07/40/91/181074091.db2.gz WOPIKRQXNCZWDB-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN N#C[C@H]1CCCC[C@@H]1NCc1ccc(F)cc1 ZINC000054824040 181067739 /nfs/dbraw/zinc/06/77/39/181067739.db2.gz SMXXKXDXYTWCJA-OCCSQVGLSA-N 0 0 232.302 2.998 10 30 BFEERN N#C[C@H]1CCCC[C@H]1NCc1ccc(F)cc1 ZINC000054824039 181068442 /nfs/dbraw/zinc/06/84/42/181068442.db2.gz SMXXKXDXYTWCJA-TZMCWYRMSA-N 0 0 232.302 2.998 10 30 BFEERN N#C[C@H]1CCC[C@@H]1Nc1cccc(F)c1 ZINC000054823916 181068810 /nfs/dbraw/zinc/06/88/10/181068810.db2.gz NRAWQOHQVPSNHA-SKDRFNHKSA-N 0 0 204.248 2.930 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1cccc(F)c1F ZINC000104241318 181069262 /nfs/dbraw/zinc/06/92/62/181069262.db2.gz AJPBSGACZZJXAL-SKDRFNHKSA-N 0 0 236.265 2.747 10 30 BFEERN N#C[C@H]1CCC[C@H]1Nc1cccc(F)c1 ZINC000054823915 181070202 /nfs/dbraw/zinc/07/02/02/181070202.db2.gz NRAWQOHQVPSNHA-BXKDBHETSA-N 0 0 204.248 2.930 10 30 BFEERN C=C[C@H](C)Oc1cc(OCCC)ccc1CO ZINC000052142652 188577981 /nfs/dbraw/zinc/57/79/81/188577981.db2.gz QYVGUHQMOQUZIQ-NSHDSACASA-N 0 0 236.311 2.921 10 30 BFEERN N#Cc1c(F)cccc1N[C@H]1CCCCC[C@H]1O ZINC000037892742 181076047 /nfs/dbraw/zinc/07/60/47/181076047.db2.gz IZAHBJNOPQNIRY-UONOGXRCSA-N 0 0 248.301 2.803 10 30 BFEERN N#Cc1cc(-c2ccc(F)cc2O)ccc1O ZINC000065341373 181080217 /nfs/dbraw/zinc/08/02/17/181080217.db2.gz JWTFDOWGZJHCDB-UHFFFAOYSA-N 0 0 229.210 2.776 10 30 BFEERN N#Cc1cc(-c2ccc(C=O)cc2)ccc1O ZINC000065341313 181080415 /nfs/dbraw/zinc/08/04/15/181080415.db2.gz LTQQLQAABOEUAO-UHFFFAOYSA-N 0 0 223.231 2.743 10 30 BFEERN N#Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000000376547 181080642 /nfs/dbraw/zinc/08/06/42/181080642.db2.gz JWASQKPUXFVVAX-UHFFFAOYSA-N 0 0 204.616 2.867 10 30 BFEERN N#Cc1cc(-c2ccc(Cl)cc2)cnc1N ZINC000039433175 181080776 /nfs/dbraw/zinc/08/07/76/181080776.db2.gz FKPDXOLQFRRISW-UHFFFAOYSA-N 0 0 229.670 2.856 10 30 BFEERN N#Cc1cc(Br)c(F)c(F)c1F ZINC000075842727 181081352 /nfs/dbraw/zinc/08/13/52/181081352.db2.gz GAHJQDHPDKXJSK-UHFFFAOYSA-N 0 0 235.990 2.738 10 30 BFEERN N#Cc1cc(CNc2cccc(F)n2)ccc1F ZINC000083373370 181086232 /nfs/dbraw/zinc/08/62/32/181086232.db2.gz ZURZWSIDZSLGNT-UHFFFAOYSA-N 0 0 245.232 2.844 10 30 BFEERN N#Cc1ccc(-c2ccc(N)cc2)s1 ZINC000050266913 181094712 /nfs/dbraw/zinc/09/47/12/181094712.db2.gz VETVDTPGPNJKQD-UHFFFAOYSA-N 0 0 200.266 2.869 10 30 BFEERN N#Cc1cc(N)cnc1Sc1ccccc1 ZINC000037759398 181090070 /nfs/dbraw/zinc/09/00/70/181090070.db2.gz IDQJMQAQMAVWAG-UHFFFAOYSA-N 0 0 227.292 2.687 10 30 BFEERN N#Cc1cc(N)cnc1Nc1cc(F)ccc1F ZINC000037758959 181090483 /nfs/dbraw/zinc/09/04/83/181090483.db2.gz LAQPXNAEPLSWFM-UHFFFAOYSA-N 0 0 246.220 2.557 10 30 BFEERN N#Cc1cc(O)cc(-c2ccc(C=O)s2)c1 ZINC000065341384 181091909 /nfs/dbraw/zinc/09/19/09/181091909.db2.gz RAGRECQIMVMSLG-UHFFFAOYSA-N 0 0 229.260 2.805 10 30 BFEERN N#Cc1cc2c(nc1NCC(F)F)CCCC2 ZINC000136600502 181092956 /nfs/dbraw/zinc/09/29/56/181092956.db2.gz LEFFUWXACSMLAG-UHFFFAOYSA-N 0 0 237.253 2.509 10 30 BFEERN N#Cc1ccc(NC[C@@H]2CCCC[C@@H]2O)cc1 ZINC000086015710 181122747 /nfs/dbraw/zinc/12/27/47/181122747.db2.gz PUZAIHWBDODJCX-JSGCOSHPSA-N 0 0 230.311 2.521 10 30 BFEERN C#CC(C)(C)Oc1cc(Cl)ncc1C ZINC000165956401 354383275 /nfs/dbraw/zinc/38/32/75/354383275.db2.gz VVCMJQJNASSUOW-UHFFFAOYSA-N 0 0 209.676 2.834 10 30 BFEERN N#Cc1ccc(Cl)nc1-c1ccccn1 ZINC000095081478 181112089 /nfs/dbraw/zinc/11/20/89/181112089.db2.gz NXYPTONBLJTSIJ-UHFFFAOYSA-N 0 0 215.643 2.669 10 30 BFEERN N#Cc1ccc(N2CC[C@@H]3CCCC[C@H]32)nc1 ZINC000229104918 181116784 /nfs/dbraw/zinc/11/67/84/181116784.db2.gz KVAXWZFQEYPKDP-QWHCGFSZSA-N 0 0 227.311 2.722 10 30 BFEERN CCC1CCN(C(=O)N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000334646354 354436677 /nfs/dbraw/zinc/43/66/77/354436677.db2.gz PDKVQTCEQAUZOO-OLZOCXBDSA-N 0 0 249.358 2.510 10 30 BFEERN N#Cc1ccc(Nc2cc(N)ccc2Cl)nc1 ZINC000038033897 181126156 /nfs/dbraw/zinc/12/61/56/181126156.db2.gz TVJKZUWNMMXCHR-UHFFFAOYSA-N 0 0 244.685 2.932 10 30 BFEERN N#Cc1ccc(Nc2ccc(F)cc2F)nc1 ZINC000019519140 181126940 /nfs/dbraw/zinc/12/69/40/181126940.db2.gz IWWQIABFYMVGST-UHFFFAOYSA-N 0 0 231.205 2.975 10 30 BFEERN N#Cc1ccc(OCc2cc(F)ccc2N)cc1 ZINC000035057944 181128746 /nfs/dbraw/zinc/12/87/46/181128746.db2.gz ZKFJUMSISCPBLH-UHFFFAOYSA-N 0 0 242.253 2.859 10 30 BFEERN N#Cc1ccc(NCc2cccs2)c(N)c1 ZINC000035674662 181123388 /nfs/dbraw/zinc/12/33/88/181123388.db2.gz ANROWPGCLLKXLP-UHFFFAOYSA-N 0 0 229.308 2.814 10 30 BFEERN N#Cc1cccc(-c2ccn(-c3ccccn3)n2)c1 ZINC000013582316 181133750 /nfs/dbraw/zinc/13/37/50/181133750.db2.gz LQROCYQCXGUXNA-UHFFFAOYSA-N 0 0 246.273 2.806 10 30 in-vivo BFEERN N#Cc1ccc([C@H](O)c2ccsc2)cc1 ZINC000111874524 181130212 /nfs/dbraw/zinc/13/02/12/181130212.db2.gz TUTYVGLLPKEZIO-LBPRGKRZSA-N 0 0 215.277 2.701 10 30 BFEERN N#Cc1ccc2[nH]cc(Br)c2c1 ZINC000084326624 181131275 /nfs/dbraw/zinc/13/12/75/181131275.db2.gz DLRFWHURXGFVTA-UHFFFAOYSA-N 0 0 221.057 2.802 10 30 BFEERN N#Cc1ccc([C@H]2c3ccccc3C[C@H]2O)cc1 ZINC000098178841 181131480 /nfs/dbraw/zinc/13/14/80/181131480.db2.gz NKKIXDDJZBFHJA-CVEARBPZSA-N 0 0 235.286 2.607 10 30 BFEERN N#Cc1ccc2c(Br)nccc2c1 ZINC000082766523 181131624 /nfs/dbraw/zinc/13/16/24/181131624.db2.gz VHBYIXALBSJEBN-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN N#Cc1cccc(NC[C@H]2CCCCO2)c1 ZINC000035150827 181141378 /nfs/dbraw/zinc/14/13/78/181141378.db2.gz HRVBOSYVOKZSKP-CYBMUJFWSA-N 0 0 216.284 2.539 10 30 BFEERN N#Cc1cccc(OCCc2cccnc2)c1 ZINC000063222611 181143448 /nfs/dbraw/zinc/14/34/48/181143448.db2.gz YEDYCLMCHYKDRG-UHFFFAOYSA-N 0 0 224.263 2.575 10 30 BFEERN N#Cc1ccccc1-n1ccnc1Br ZINC000075842603 181144099 /nfs/dbraw/zinc/14/40/99/181144099.db2.gz PFWHNJJGYLNVSI-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN N#Cc1ccccc1N(C(N)=O)c1ccccc1 ZINC000095931938 181146772 /nfs/dbraw/zinc/14/67/72/181146772.db2.gz BSBXHOGBLGENFB-UHFFFAOYSA-N 0 0 237.262 2.775 10 30 BFEERN N#Cc1ccccc1Cn1ncc2ccc(N)cc21 ZINC000011756983 181146857 /nfs/dbraw/zinc/14/68/57/181146857.db2.gz BNIYPDNBBRBALV-UHFFFAOYSA-N 0 0 248.289 2.538 10 30 BFEERN N#Cc1ccccc1NC(=O)Nc1ccncc1 ZINC000027896631 181148400 /nfs/dbraw/zinc/14/84/00/181148400.db2.gz IWSZJGGKJYWWKV-UHFFFAOYSA-N 0 0 238.250 2.597 10 30 BFEERN N#Cc1ccccc1NCc1cn2ccccc2n1 ZINC000020051379 181148886 /nfs/dbraw/zinc/14/88/86/181148886.db2.gz TXOKHZZRFXQALR-UHFFFAOYSA-N 0 0 248.289 2.818 10 30 BFEERN N#Cc1ccccc1N[C@@H](CO)c1ccccc1 ZINC000063001533 181149196 /nfs/dbraw/zinc/14/91/96/181149196.db2.gz XDJWUOIFJHDDBA-HNNXBMFYSA-N 0 0 238.290 2.704 10 30 BFEERN N#Cc1ccccc1Oc1nsnc1Cl ZINC000037981659 181149987 /nfs/dbraw/zinc/14/99/87/181149987.db2.gz RBSLCLCPIYQJQN-UHFFFAOYSA-N 0 0 237.671 2.855 10 30 BFEERN N#Cc1cccnc1N1CCCC12CCCC2 ZINC000310102272 181151454 /nfs/dbraw/zinc/15/14/54/181151454.db2.gz BUJHXXPWOHGHOT-UHFFFAOYSA-N 0 0 227.311 2.866 10 30 BFEERN C=C[C@@H]([NH3+])c1cc2c(s1)CCSC2 ZINC000130600774 363435399 /nfs/dbraw/zinc/43/53/99/363435399.db2.gz TVIFJNUAUSDBJL-MRVPVSSYSA-N 0 0 211.355 2.723 10 30 BFEERN N#Cc1nc(N2C[C@@H]3CCC[C@@H]32)ccc1Cl ZINC000336340490 181168884 /nfs/dbraw/zinc/16/88/84/181168884.db2.gz DCFPSMSIICWFFT-KWQFWETISA-N 0 0 233.702 2.595 10 30 BFEERN N#Cc1nc2ccc([O-])c(Cl)c2s1 ZINC000045236303 181169073 /nfs/dbraw/zinc/16/90/73/181169073.db2.gz LFIAFWQCLOVMQA-UHFFFAOYSA-N 0 0 210.645 2.527 10 30 BFEERN N#Cc1nc2ccccc2n1Cc1ccccc1 ZINC000034539601 181169545 /nfs/dbraw/zinc/16/95/45/181169545.db2.gz GTQLCZRSSFJFIL-UHFFFAOYSA-N 0 0 233.274 2.956 10 30 BFEERN N#Cc1ncccc1CNc1ccc(F)cc1F ZINC000061657079 181170547 /nfs/dbraw/zinc/17/05/47/181170547.db2.gz KNDIJOIWPFQJJB-UHFFFAOYSA-N 0 0 245.232 2.844 10 30 BFEERN N#Cc1ncccc1Cn1ccc2cc(N)ccc21 ZINC000061659072 181171010 /nfs/dbraw/zinc/17/10/10/181171010.db2.gz WOOYFIVBQOBGHB-UHFFFAOYSA-N 0 0 248.289 2.538 10 30 BFEERN C=CCN[C@@H](C#N)c1ccc(C)cc1C ZINC000051959930 166403333 /nfs/dbraw/zinc/40/33/33/166403333.db2.gz MNVAOMOZACLDOD-ZDUSSCGKSA-N 0 0 200.285 2.644 10 30 BFEERN N/C(=N\O)c1ccc(COC2CCCCC2)cc1 ZINC000019431433 181181771 /nfs/dbraw/zinc/18/17/71/181181771.db2.gz JSBBNHKOFJGMLU-UHFFFAOYSA-N 0 0 248.326 2.630 10 30 BFEERN N/C(CCOc1ccc(Cl)cc1Cl)=N\O ZINC000019480748 181182018 /nfs/dbraw/zinc/18/20/18/181182018.db2.gz CCGSCKXGIZOVKS-UHFFFAOYSA-N 0 0 249.097 2.509 10 30 BFEERN N/C(CCN(c1ccccc1)C1CCCC1)=N\O ZINC000019442370 181182223 /nfs/dbraw/zinc/18/22/23/181182223.db2.gz HYVPQPSRMCWLOW-UHFFFAOYSA-N 0 0 247.342 2.572 10 30 BFEERN N/C(CCCOc1ccc2ccccc2c1)=N\O ZINC000019429525 181182281 /nfs/dbraw/zinc/18/22/81/181182281.db2.gz CFQXGDKFYOOZPY-UHFFFAOYSA-N 0 0 244.294 2.745 10 30 BFEERN N/C(CCOc1cc(Cl)ccc1Cl)=N\O ZINC000019477046 181182680 /nfs/dbraw/zinc/18/26/80/181182680.db2.gz UBWCGVMSGMBOMG-UHFFFAOYSA-N 0 0 249.097 2.509 10 30 BFEERN N=NC(=CCc1ccccc1)c1ccccc1O ZINC000095934787 181183386 /nfs/dbraw/zinc/18/33/86/181183386.db2.gz AVMGXXCTNFBLOD-FKXZENLISA-N 0 0 238.290 2.768 10 30 BFEERN CCCCC[C@H](C)Nc1ncc(N)cc1C#N ZINC000042561648 168744276 /nfs/dbraw/zinc/74/42/76/168744276.db2.gz WZYHHRMBDRDLGD-JTQLQIEISA-N 0 0 232.331 2.916 10 30 BFEERN C[C@](O)(CC=O)c1cc2ccccc2s1 ZINC000166241085 355339615 /nfs/dbraw/zinc/33/96/15/355339615.db2.gz ZKORGKLFBSDMDT-LBPRGKRZSA-N 0 0 220.293 2.698 10 30 BFEERN C[C@@H](Nc1ncccc1C#N)c1ccco1 ZINC000035135132 355842406 /nfs/dbraw/zinc/84/24/06/355842406.db2.gz IISYYLKVVRXPQF-SECBINFHSA-N 0 0 213.240 2.719 10 30 BFEERN C[C@H](Nc1ccc(C#N)cn1)c1ccco1 ZINC000035149774 355857322 /nfs/dbraw/zinc/85/73/22/355857322.db2.gz IRFUDGPXZWTQPU-VIFPVBQESA-N 0 0 213.240 2.719 10 30 BFEERN CC(=O)c1ccc(C#CC(F)(F)F)cc1 ZINC000200692709 356363835 /nfs/dbraw/zinc/36/38/35/356363835.db2.gz CNWOXRFYSSUQGV-UHFFFAOYSA-N 0 0 212.170 2.803 10 30 BFEERN CCSC#Cc1cc(OC)ccc1OC ZINC000207460458 356504137 /nfs/dbraw/zinc/50/41/37/356504137.db2.gz VDGIXZRDGQUQQX-UHFFFAOYSA-N 0 0 222.309 2.766 10 30 BFEERN C=C(Br)CNc1ccc(C)c(N)c1 ZINC000168193836 356554748 /nfs/dbraw/zinc/55/47/48/356554748.db2.gz SWNOCCXLGMLHCE-UHFFFAOYSA-N 0 0 241.132 2.898 10 30 BFEERN Cc1c2nc(C#N)oc2ccc1Br ZINC000675057967 538481009 /nfs/dbraw/zinc/48/10/09/538481009.db2.gz ONOUDOFKBXITFU-UHFFFAOYSA-N 0 0 237.056 2.770 10 30 BFEERN CC1(C)Cc2c(C#N)c(N)ncc2C(C)(C)C1 ZINC000675063816 538490566 /nfs/dbraw/zinc/49/05/66/538490566.db2.gz PGYWFBPVCOPKIO-UHFFFAOYSA-N 0 0 229.327 2.785 10 30 BFEERN CC(C)(C)OC(=O)C#Cc1ccccc1F ZINC000675078004 538514972 /nfs/dbraw/zinc/51/49/72/538514972.db2.gz ABTCPFPVWBMVOM-UHFFFAOYSA-N 0 0 220.243 2.519 10 30 BFEERN CC[C@H](CC#N)NC(=O)C[C@@H](C)C(C)(C)C ZINC000108943378 134160231 /nfs/dbraw/zinc/16/02/31/134160231.db2.gz XNYKUVRUOGSWNK-GHMZBOCLSA-N 0 0 224.348 2.867 10 30 BFEERN Fc1ccc(C#CC(F)(F)F)cc1F ZINC000675078891 538516035 /nfs/dbraw/zinc/51/60/35/538516035.db2.gz MVFMXNPOQIDRBS-UHFFFAOYSA-N 0 0 206.113 2.879 10 30 BFEERN Cc1ccccc1C#CC(=O)OC(C)(C)C ZINC000675079681 538518523 /nfs/dbraw/zinc/51/85/23/538518523.db2.gz WMNAZDBHRZBKJL-UHFFFAOYSA-N 0 0 216.280 2.688 10 30 BFEERN Fc1cccc(F)c1C#CC(F)(F)F ZINC000675079792 538518976 /nfs/dbraw/zinc/51/89/76/538518976.db2.gz XYMGUZBPEMWWLA-UHFFFAOYSA-N 0 0 206.113 2.879 10 30 BFEERN CCC[C@@H]1CCC[C@@]2(CC1)O[C@H]2C(=O)OC ZINC000084324130 538530899 /nfs/dbraw/zinc/53/08/99/538530899.db2.gz GJGFYJGMQKUCDJ-MDZLAQPJSA-N 0 0 226.316 2.677 10 30 BFEERN CCCC[C@@]1(CC)O[C@@]1(C(=O)OC)C(C)C ZINC000086182732 538552769 /nfs/dbraw/zinc/55/27/69/538552769.db2.gz DFNVYJRYTLKSGD-CHWSQXEVSA-N 0 0 228.332 2.923 10 30 BFEERN C#Cc1ccccc1NC(=O)C(C)(C)C ZINC000224828404 538599764 /nfs/dbraw/zinc/59/97/64/538599764.db2.gz DCAQFOFGCZVZEA-UHFFFAOYSA-N 0 0 201.269 2.653 10 30 BFEERN Cc1cc(C)c(C#N)c(NCC[C@@H]2CCCO2)n1 ZINC000037987991 357020912 /nfs/dbraw/zinc/02/09/12/357020912.db2.gz TXADHVVGIFKYHV-LBPRGKRZSA-N 0 0 245.326 2.551 10 30 BFEERN C#C[C@@H](O)c1cc2cc(F)ccc2s1 ZINC000160565239 357070374 /nfs/dbraw/zinc/07/03/74/357070374.db2.gz WMAPHJWRQRQOEF-SECBINFHSA-N 0 0 206.241 2.707 10 30 BFEERN C#C[C@@H]([NH3+])c1cccc(Br)c1Cl ZINC000130052643 357166066 /nfs/dbraw/zinc/16/60/66/357166066.db2.gz AHXPFCQESPYECV-MRVPVSSYSA-N 0 0 244.519 2.736 10 30 BFEERN C#CC(=O)c1cc2ccc(F)cc2s1 ZINC000168753808 357220655 /nfs/dbraw/zinc/22/06/55/357220655.db2.gz ATUGUHGUFTWRCR-UHFFFAOYSA-N 0 0 204.225 2.856 10 30 BFEERN C#CC(=O)c1cccc(Br)c1Cl ZINC000168769275 357226479 /nfs/dbraw/zinc/22/64/79/357226479.db2.gz QCELGYVSDHRXNE-UHFFFAOYSA-N 0 0 243.487 2.918 10 30 BFEERN O=[N+]([O-])c1ccccc1N=NC1C[C@H]2CC=C[C@@H]12 ZINC000035418429 357232692 /nfs/dbraw/zinc/23/26/92/357232692.db2.gz MQGJLLGDRSSQQU-HDNPNFOBSA-N 0 0 243.266 2.959 10 30 BFEERN N#Cc1ccc(-c2nc([C@@H]3CC34CC4)no2)s1 ZINC000351281748 358169896 /nfs/dbraw/zinc/16/98/96/358169896.db2.gz LTCDGCODYIJJQC-QMMMGPOBSA-N 0 0 243.291 2.937 10 30 BFEERN N#Cc1ccc(-c2nc([C@@H]3CC34CC4)no2)cc1 ZINC000351285576 358170276 /nfs/dbraw/zinc/17/02/76/358170276.db2.gz OLFJPLJFEWLNDC-NSHDSACASA-N 0 0 237.262 2.876 10 30 BFEERN CCOC(=O)[C@]1(CCCCc2ccccc2)CO1 ZINC000040801501 358246852 /nfs/dbraw/zinc/24/68/52/358246852.db2.gz MCSXZQIOJBOPDJ-HNNXBMFYSA-N 0 0 248.322 2.732 10 30 BFEERN C/C=C(\OC(=O)OC)C(=O)c1ccccc1 ZINC000584611866 358275791 /nfs/dbraw/zinc/27/57/91/358275791.db2.gz NPQDRBIXVJZJRF-KMKOMSMNSA-N 0 0 220.224 2.556 10 30 BFEERN CC(C)(C)S(=O)(=O)/N=C1\C=CCCCC1 ZINC000584611718 358275946 /nfs/dbraw/zinc/27/59/46/358275946.db2.gz QJWLTPHIYWVAJI-ZRDIBKRKSA-N 0 0 229.345 2.686 10 30 BFEERN C=C[C@H](C)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218867739 134265407 /nfs/dbraw/zinc/26/54/07/134265407.db2.gz QHGSCIAYYLZFOQ-VIFPVBQESA-N 0 0 206.245 2.890 10 30 BFEERN COc1ccc([C@@](C)(CCC#N)C(C)=O)cc1 ZINC000584594662 358251749 /nfs/dbraw/zinc/25/17/49/358251749.db2.gz RGWAJZGRJRKWLM-AWEZNQCLSA-N 0 0 231.295 2.846 10 30 BFEERN COc1ccc(C(=O)C(C)(C)CC#N)cc1 ZINC000584594682 358252215 /nfs/dbraw/zinc/25/22/15/358252215.db2.gz TUZINYUZLDLSPI-UHFFFAOYSA-N 0 0 217.268 2.818 10 30 BFEERN C=CC[C@@H](Cc1ccc(F)cc1)NC(=O)OC ZINC000584600934 358257722 /nfs/dbraw/zinc/25/77/22/358257722.db2.gz UMUOXJKILPORPX-LBPRGKRZSA-N 0 0 237.274 2.669 10 30 BFEERN CC(=NC#N)N[C@H](c1ccccc1)C(C)C ZINC000584601943 358259395 /nfs/dbraw/zinc/25/93/95/358259395.db2.gz SUIXXVAUNLTRNN-ZDUSSCGKSA-N 0 0 215.300 2.873 10 30 BFEERN COc1cccc([C@@H]2CC[C@@H](C=O)C2)c1 ZINC000584602875 358260713 /nfs/dbraw/zinc/26/07/13/358260713.db2.gz GOLCAMKBUMDBTP-ZYHUDNBSSA-N 0 0 204.269 2.778 10 30 BFEERN C/C(=N\O)c1cnn(-c2cccc(F)c2)c1C ZINC000584603734 358262288 /nfs/dbraw/zinc/26/22/88/358262288.db2.gz RACOPPGVWXTRGN-OVCLIPMQSA-N 0 0 233.246 2.518 10 30 BFEERN C/C=C1\COc2ccc(Cl)cc2C1=O ZINC000584610190 358272526 /nfs/dbraw/zinc/27/25/26/358272526.db2.gz YHKQLKCCROOXIL-FARCUNLSSA-N 0 0 208.644 2.861 10 30 BFEERN CC(=O)C([N+]#N)=C([O-])O[C@H]1C=C(C)CCC1 ZINC000584610505 358273904 /nfs/dbraw/zinc/27/39/04/358273904.db2.gz AEVZAPLXCJSCSX-SECBINFHSA-O 0 0 223.252 2.671 10 30 BFEERN C[Si](C)(C)C#Cc1cc2cccnc2[nH]1 ZINC000584621917 358290158 /nfs/dbraw/zinc/29/01/58/358290158.db2.gz XPDUPBKWZYTSJE-UHFFFAOYSA-N 0 0 214.344 2.792 10 30 BFEERN C=C[C@](CO)(c1cccc(OC)c1)C(F)(F)F ZINC000584622785 358290579 /nfs/dbraw/zinc/29/05/79/358290579.db2.gz GUGRFYYOUSYRJB-NSHDSACASA-N 0 0 246.228 2.674 10 30 BFEERN CCOP(=O)(OCC)O[C@](C)(C#N)CC ZINC000584624645 358293118 /nfs/dbraw/zinc/29/31/18/358293118.db2.gz AXWKSRLTVCTTAV-VIFPVBQESA-N 0 0 235.220 2.876 10 30 BFEERN CCOC(=O)C1=CC(C)(C)c2ccccc2C1=O ZINC000584626805 358296213 /nfs/dbraw/zinc/29/62/13/358296213.db2.gz PTEALTUTFYGWKU-UHFFFAOYSA-N 0 0 244.290 2.650 10 30 BFEERN N#C[C@H](CC1(C(F)(F)F)CC1)c1cncnc1 ZINC000584647558 358302272 /nfs/dbraw/zinc/30/22/72/358302272.db2.gz ZFSGACBUUGLDSJ-QMMMGPOBSA-N 0 0 241.216 2.816 10 30 BFEERN CCC(=NC#N)N[C@H]1CCc2ccccc21 ZINC000584649942 358304614 /nfs/dbraw/zinc/30/46/14/358304614.db2.gz DHOPTBLQYOGPCR-LBPRGKRZSA-N 0 0 213.284 2.553 10 30 BFEERN C=C[C@@](C)(CC1(C)SCCS1)C(=O)OC ZINC000584657750 358309610 /nfs/dbraw/zinc/30/96/10/358309610.db2.gz JMOXVTIKIYVIOS-JTQLQIEISA-N 0 0 246.397 2.938 10 30 BFEERN N#CC1=NNN[C@@H]1c1ccc2ccccc2c1 ZINC000584617039 358281370 /nfs/dbraw/zinc/28/13/70/358281370.db2.gz CEXNWSQPDVQPHQ-CHWSQXEVSA-N 0 0 222.251 2.743 10 30 BFEERN C=CCCC[C@H]1C[C@@H]1OC(=O)n1ccnc1 ZINC000584616925 358281452 /nfs/dbraw/zinc/28/14/52/358281452.db2.gz TWAJRUOYQXGYKL-QWRGUYRKSA-N 0 0 220.272 2.613 10 30 BFEERN N#CC1=NNN[C@H]1c1ccc2ccccc2c1 ZINC000584617043 358281454 /nfs/dbraw/zinc/28/14/54/358281454.db2.gz CEXNWSQPDVQPHQ-STQMWFEESA-N 0 0 222.251 2.743 10 30 BFEERN COc1ccc(/N=C2/O[C@@H](C)CS2)cc1 ZINC000584636202 358320703 /nfs/dbraw/zinc/32/07/03/358320703.db2.gz UVLRRTIEJZGGPZ-WYNUBKAASA-N 0 0 223.297 2.835 10 30 BFEERN CC(C)Oc1cc2c(cc[nH]c2=O)cc1C#N ZINC000584639850 358325711 /nfs/dbraw/zinc/32/57/11/358325711.db2.gz WECPDPAXSNOFCA-UHFFFAOYSA-N 0 0 228.251 2.599 10 30 BFEERN CC(C)N(CCC#N)C(=O)[C@H]1CCC[C@@H]1C ZINC000230170862 358394367 /nfs/dbraw/zinc/39/43/67/358394367.db2.gz LPIOZGOUFJPFPN-RYUDHWBXSA-N 0 0 222.332 2.573 10 30 BFEERN CCNc1cc(C#N)ccc1C(=O)OC(C)(C)C ZINC000231404657 358419596 /nfs/dbraw/zinc/41/95/96/358419596.db2.gz XVJMCTOWTTUKHI-UHFFFAOYSA-N 0 0 246.310 2.945 10 30 BFEERN CCC1CCC(NC(=O)C(C)(C)C#N)CC1 ZINC000044351715 358548261 /nfs/dbraw/zinc/54/82/61/358548261.db2.gz PZRBYCKXGJXEEU-UHFFFAOYSA-N 0 0 222.332 2.621 10 30 BFEERN C=C(C)C(=O)[C@@H]1SCCS[C@H]1CC ZINC000228083685 358562888 /nfs/dbraw/zinc/56/28/88/358562888.db2.gz OFQCUWQGNDOHCW-WCBMZHEXSA-N 0 0 216.371 2.759 10 30 BFEERN C=C(C)C(=O)[C@H]1SCCS[C@H]1CC ZINC000228083692 358564318 /nfs/dbraw/zinc/56/43/18/358564318.db2.gz OFQCUWQGNDOHCW-WPRPVWTQSA-N 0 0 216.371 2.759 10 30 BFEERN Cc1cc(F)cc(C(=O)N[C@@H]2CCC[C@@H]2C#N)c1 ZINC000134856864 358808552 /nfs/dbraw/zinc/80/85/52/358808552.db2.gz TVWGZMUIGSVGPJ-ZWNOBZJWSA-N 0 0 246.285 2.556 10 30 BFEERN O=[N+]([O-])c1ccc(CS)c(Br)c1 ZINC000306160557 358958812 /nfs/dbraw/zinc/95/88/12/358958812.db2.gz FSXXXAWEFXDLDW-UHFFFAOYSA-N 0 0 248.101 2.787 10 30 BFEERN C#CC[C@@H](C)Nc1cc(Cl)nc(Cl)n1 ZINC000306195077 359023890 /nfs/dbraw/zinc/02/38/90/359023890.db2.gz YDIUFBLIDLNLMB-ZCFIWIBFSA-N 0 0 230.098 2.607 10 30 BFEERN C=C(c1c[nH]c(=S)cn1)C(F)(F)F ZINC000306209141 359301657 /nfs/dbraw/zinc/30/16/57/359301657.db2.gz IBWPCZWALGFUED-UHFFFAOYSA-N 0 0 206.192 2.715 10 30 BFEERN Cc1csc([C@@H]2CC[C@@H](CC#N)O2)n1 ZINC000306212801 359308688 /nfs/dbraw/zinc/30/86/88/359308688.db2.gz WFVBGQSSUCOYPW-IUCAKERBSA-N 0 0 208.286 2.585 10 30 BFEERN C[C@@H](C#N)[C@H](O)c1ccsc1Cl ZINC000306220910 359346593 /nfs/dbraw/zinc/34/65/93/359346593.db2.gz IQSSCTWKBFVNNT-FSPLSTOPSA-N 0 0 201.678 2.595 10 30 BFEERN CC#CCCC(=O)[C@H]1SCCS[C@@H]1C ZINC000160954791 359563232 /nfs/dbraw/zinc/56/32/32/359563232.db2.gz CGQQGNDGXHLKGA-KOLCDFICSA-N 0 0 228.382 2.596 10 30 BFEERN CC#CCCC(=O)[C@@H]1SCCS[C@H]1C ZINC000160954658 359563979 /nfs/dbraw/zinc/56/39/79/359563979.db2.gz CGQQGNDGXHLKGA-GXSJLCMTSA-N 0 0 228.382 2.596 10 30 BFEERN CC(C)[C@@H](C)C(=O)C#Cc1ccccc1 ZINC000306326878 359609332 /nfs/dbraw/zinc/60/93/32/359609332.db2.gz XGQCWUCROAYSAJ-GFCCVEGCSA-N 0 0 200.281 2.899 10 30 BFEERN N#Cc1cccc(-c2n[nH]cc2Br)c1 ZINC000069637457 359687573 /nfs/dbraw/zinc/68/75/73/359687573.db2.gz WQDFCGLPASKOQF-UHFFFAOYSA-N 0 0 248.083 2.711 10 30 BFEERN C=C(Cl)CNc1snc(Cl)c1C#N ZINC000306413465 359824127 /nfs/dbraw/zinc/82/41/27/359824127.db2.gz NLVKSGJSQQCOPQ-UHFFFAOYSA-N 0 0 234.111 2.833 10 30 BFEERN C#C[C@@](C)(O)c1ccc(Cl)c(Cl)c1 ZINC000306429941 359883605 /nfs/dbraw/zinc/88/36/05/359883605.db2.gz KSADLTOZENANBE-SNVBAGLBSA-N 0 0 215.079 2.834 10 30 BFEERN CO[C@@H](C=O)c1ccc(C)cc1Br ZINC000306464134 360076392 /nfs/dbraw/zinc/07/63/92/360076392.db2.gz IWXFKIAOXUVABL-JTQLQIEISA-N 0 0 243.100 2.644 10 30 BFEERN N#CCc1c(Cl)ccc(Cl)c1[N+](=O)[O-] ZINC000306532599 360392466 /nfs/dbraw/zinc/39/24/66/360392466.db2.gz BQQQMCAFJWPXQJ-UHFFFAOYSA-N 0 0 231.038 2.968 10 30 BFEERN C=C[C@H](C)Nc1ncc(Br)s1 ZINC000306531104 360393728 /nfs/dbraw/zinc/39/37/28/360393728.db2.gz HXRCCQCXBYTLMU-YFKPBYRVSA-N 0 0 233.134 2.892 10 30 BFEERN C#C[C@](C)(O)c1c(Cl)cccc1Cl ZINC000306560689 360437938 /nfs/dbraw/zinc/43/79/38/360437938.db2.gz BHQZFRYWUVFDTI-JTQLQIEISA-N 0 0 215.079 2.834 10 30 BFEERN C#C[C@](C)(CC)n1c(C)cc(C=O)c1C ZINC000306587621 360492022 /nfs/dbraw/zinc/49/20/22/360492022.db2.gz VDWLVQNBJCTYBQ-CYBMUJFWSA-N 0 0 203.285 2.676 10 30 BFEERN N#CCc1cc(OC(F)(F)F)cc(Cl)n1 ZINC000238530742 361140686 /nfs/dbraw/zinc/14/06/86/361140686.db2.gz YMKANCJHLMYGKC-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN Cc1ccc(C(=O)[C@H](C#N)C(C)C)cc1 ZINC000041045682 361182741 /nfs/dbraw/zinc/18/27/41/361182741.db2.gz LQSKYWFLNPVRKF-GFCCVEGCSA-N 0 0 201.269 2.974 10 30 BFEERN CC(C)[C@H](C#N)C(=O)c1ccc(F)cc1 ZINC000041045664 361183238 /nfs/dbraw/zinc/18/32/38/361183238.db2.gz GYEOKRCNVNRWGO-NSHDSACASA-N 0 0 205.232 2.804 10 30 BFEERN O=CCc1c(Cl)cccc1Br ZINC000306620080 361195879 /nfs/dbraw/zinc/19/58/79/361195879.db2.gz WKFZINZTHRXSCK-UHFFFAOYSA-N 0 0 233.492 2.844 10 30 BFEERN O=[N+]([O-])c1ccccc1N=NC1C[C@H]2CC=C[C@H]12 ZINC000013136596 361237873 /nfs/dbraw/zinc/23/78/73/361237873.db2.gz MQGJLLGDRSSQQU-ULVWRBEMSA-N 0 0 243.266 2.959 10 30 BFEERN N#Cc1cc(Br)ccc1CS ZINC000238724312 361372126 /nfs/dbraw/zinc/37/21/26/361372126.db2.gz BOIOQQXYMUSNKQ-UHFFFAOYSA-N 0 0 228.114 2.751 10 30 BFEERN CC[C@@H](C#N)Oc1cncc(Br)c1 ZINC000070043444 361384241 /nfs/dbraw/zinc/38/42/41/361384241.db2.gz RWKVTEBALCTORS-QMMMGPOBSA-N 0 0 241.088 2.525 10 30 BFEERN C=CCCC(=O)c1ccc(OC)c(OC)c1 ZINC000070593422 361579737 /nfs/dbraw/zinc/57/97/37/361579737.db2.gz WBNWIJWGHVABGT-UHFFFAOYSA-N 0 0 220.268 2.853 10 30 BFEERN N#Cc1ccc(C2=NC(=S)SC2)cc1 ZINC000070598251 361582034 /nfs/dbraw/zinc/58/20/34/361582034.db2.gz OHOKWOMLBWQSRZ-UHFFFAOYSA-N 0 0 218.306 2.970 10 30 BFEERN C[C@H]1CC[C@](C#N)(NCc2ccccc2)C1 ZINC000070644597 361693764 /nfs/dbraw/zinc/69/37/64/361693764.db2.gz ABLIEKHIVCEFOX-JSGCOSHPSA-N 0 0 214.312 2.859 10 30 BFEERN CCOC(=O)C[C@@]1([C@H]2CO2)C[C@H](C)C[C@H](C)C1 ZINC000675053056 541430759 /nfs/dbraw/zinc/43/07/59/541430759.db2.gz KWULXXXTKYYALA-GFQSEFKGSA-N 0 0 240.343 2.781 10 30 BFEERN Cc1cccc(CN[C@H]2CCC[C@@H]2C#N)c1F ZINC000335626552 365294723 /nfs/dbraw/zinc/29/47/23/365294723.db2.gz SQFDNDVBMCHESQ-YPMHNXCESA-N 0 0 232.302 2.916 10 30 BFEERN CCCCCC[C@@]1(C)O[C@@]1(Cl)C(=O)OC ZINC000232953400 541508701 /nfs/dbraw/zinc/50/87/01/541508701.db2.gz SGXNNOARFSTBPK-MNOVXSKESA-N 0 0 234.723 2.854 10 30 BFEERN COC(=O)c1sc2ccccc2c1C#N ZINC000002243466 368128397 /nfs/dbraw/zinc/12/83/97/368128397.db2.gz AUONLJJLLQNQCK-UHFFFAOYSA-N 0 0 217.249 2.560 10 30 BFEERN C=C(Br)CNN1[C@@H](C)CCC[C@@H]1C ZINC000215068238 368303029 /nfs/dbraw/zinc/30/30/29/368303029.db2.gz XLNDQRDUICYBKS-UWVGGRQHSA-N 0 0 247.180 2.663 10 30 BFEERN N#Cc1ccc(C2(O)CCCCC2)cc1 ZINC000113390830 368384673 /nfs/dbraw/zinc/38/46/73/368384673.db2.gz SCXHIMYAMJQNQB-UHFFFAOYSA-N 0 0 201.269 2.710 10 30 BFEERN N#C[C@@H]1c2ccccc2OCc2ncccc21 ZINC000038674080 368409108 /nfs/dbraw/zinc/40/91/08/368409108.db2.gz DSYKJIHNLLOKEQ-LBPRGKRZSA-N 0 0 222.247 2.629 10 30 BFEERN CCC[C@@H](OC[C@H]1CO1)c1ccccc1 ZINC000081170414 368579892 /nfs/dbraw/zinc/57/98/92/368579892.db2.gz RTUWTVUKLJWROC-CHWSQXEVSA-N 0 0 206.285 2.943 10 30 BFEERN CCC[C@H](OC[C@H]1CO1)c1ccccc1 ZINC000081170412 368580190 /nfs/dbraw/zinc/58/01/90/368580190.db2.gz RTUWTVUKLJWROC-OLZOCXBDSA-N 0 0 206.285 2.943 10 30 BFEERN C=CC[C@H]1Cc2ccccc2CC12OCCO2 ZINC000082040656 368632359 /nfs/dbraw/zinc/63/23/59/368632359.db2.gz BIYKTYLYXDMOLI-AWEZNQCLSA-N 0 0 230.307 2.721 10 30 BFEERN C=C1CC2(OC1=O)C1CC3CC(C1)CC2C3 ZINC000001576362 368650882 /nfs/dbraw/zinc/65/08/82/368650882.db2.gz OIQBNMZOEXDGLK-UHFFFAOYSA-N 0 0 218.296 2.684 10 30 BFEERN Cc1cc(NC(=O)OC(C)(C)C)nc(C)c1C#N ZINC000114079017 368919143 /nfs/dbraw/zinc/91/91/43/368919143.db2.gz XNBKAPBUZHEDAX-UHFFFAOYSA-N 0 0 247.298 2.917 10 30 BFEERN N#Cc1cccc(/C(=C\c2ccccc2)C(N)=O)c1 ZINC000114248277 368931830 /nfs/dbraw/zinc/93/18/30/368931830.db2.gz IEKNNMPKDQYMQA-XNTDXEJSSA-N 0 0 248.285 2.584 10 30 BFEERN CC(C)(C)[S@@](=O)/N=C/c1ccc(F)cc1 ZINC000115614603 369003327 /nfs/dbraw/zinc/00/33/27/369003327.db2.gz BORKUOMEZNUZAA-NRUITVPNSA-N 0 0 227.304 2.707 10 30 BFEERN N#Cc1cccnc1-n1cc(-c2ccccc2)cn1 ZINC000054961353 369088552 /nfs/dbraw/zinc/08/85/52/369088552.db2.gz NUSCZIWNFWSRDN-UHFFFAOYSA-N 0 0 246.273 2.806 10 30 BFEERN CN(Cc1ccccc1)c1cccc(C#N)c1N ZINC000130848125 369118290 /nfs/dbraw/zinc/11/82/90/369118290.db2.gz JXRLRSRJZCZGMB-UHFFFAOYSA-N 0 0 237.306 2.777 10 30 BFEERN O=CCn1cc(Br)c2ccccc21 ZINC000055310341 369190300 /nfs/dbraw/zinc/19/03/00/369190300.db2.gz NYKJUZYRPXXIRB-UHFFFAOYSA-N 0 0 238.084 2.603 10 30 BFEERN N#Cc1cnc(C2CCCC2)nc1Cl ZINC000106889284 369215770 /nfs/dbraw/zinc/21/57/70/369215770.db2.gz GTUUZPDOHNPHMT-UHFFFAOYSA-N 0 0 207.664 2.659 10 30 BFEERN C[C@@H](C=O)Cc1cc(F)ccc1Cl ZINC000107190257 369330112 /nfs/dbraw/zinc/33/01/12/369330112.db2.gz QMAGZFIUYOCALO-SSDOTTSWSA-N 0 0 200.640 2.857 10 30 BFEERN COc1ccc(C[C@@H](C=O)C(C)C)cc1 ZINC000107200745 369338298 /nfs/dbraw/zinc/33/82/98/369338298.db2.gz LRTDZZGHYKSVFJ-LBPRGKRZSA-N 0 0 206.285 2.709 10 30 BFEERN N#C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2C1)C1CCCCC1 ZINC000251466252 369821201 /nfs/dbraw/zinc/82/12/01/369821201.db2.gz VGVXUSHMYKLOOQ-CRWXNKLISA-N 0 0 246.354 2.621 10 30 BFEERN N#Cc1ncc(-c2ccc(Br)cc2)o1 ZINC000409426108 369975987 /nfs/dbraw/zinc/97/59/87/369975987.db2.gz CZHBODRBFKHDCX-UHFFFAOYSA-N 0 0 249.067 2.976 10 30 BFEERN CCc1[nH]nc(-c2ccsc2)c1C#N ZINC000409441333 369977774 /nfs/dbraw/zinc/97/77/74/369977774.db2.gz RDKRKIYTEVCBOY-UHFFFAOYSA-N 0 0 203.270 2.572 10 30 BFEERN CCc1nc(C#N)cc(N[C@H](CC)C(C)C)n1 ZINC000308162777 370105009 /nfs/dbraw/zinc/10/50/09/370105009.db2.gz AEJKJEJRGHXIFG-LLVKDONJSA-N 0 0 232.331 2.757 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1NCc1ccsc1 ZINC000063152796 370136697 /nfs/dbraw/zinc/13/66/97/370136697.db2.gz HAJIRZWHQULUBP-RYUDHWBXSA-N 0 0 220.341 2.920 10 30 BFEERN Cc1ccccc1/[N+]([O-])=C/c1ccco1 ZINC000225429200 370614349 /nfs/dbraw/zinc/61/43/49/370614349.db2.gz KFKHTKLSDIATGJ-LCYFTJDESA-N 0 0 202.233 2.740 10 30 BFEERN C=CCCCCCN(C)C(=O)N[C@H]1C[C@H]1C ZINC000154114029 371081453 /nfs/dbraw/zinc/08/14/53/371081453.db2.gz JSVHVHIKGAQGNB-NEPJUHHUSA-N 0 0 224.348 2.783 10 30 BFEERN Cc1cc2c(nc(C#N)cc2Br)[nH]1 ZINC000096321090 371469473 /nfs/dbraw/zinc/46/94/73/371469473.db2.gz OXJQOSVZCGGODD-UHFFFAOYSA-N 0 0 236.072 2.506 10 30 BFEERN N#Cc1cc2[nH]cc(C=O)c2cc1Br ZINC000216006956 371675304 /nfs/dbraw/zinc/67/53/04/371675304.db2.gz RQFYGMVPDHMXSH-UHFFFAOYSA-N 0 0 249.067 2.615 10 30 BFEERN COc1cc(CC#N)ccc1C(F)(F)F ZINC000215755144 371627305 /nfs/dbraw/zinc/62/73/05/371627305.db2.gz DUVALNHHHAEZLP-UHFFFAOYSA-N 0 0 215.174 2.780 10 30 BFEERN C#C[C@H](CC)Nc1ncnc(Cl)c1CC ZINC000230020312 371636751 /nfs/dbraw/zinc/63/67/51/371636751.db2.gz HUKAMXCSJHTRSI-MRVPVSSYSA-N 0 0 223.707 2.516 10 30 BFEERN C#C[C@@H](CC)Nc1cncc(Br)c1 ZINC000230020443 371637154 /nfs/dbraw/zinc/63/71/54/371637154.db2.gz AFECVEIWLKSJSA-VIFPVBQESA-N 0 0 239.116 2.668 10 30 BFEERN C[C@@H](C=O)Cc1cc2cccc(F)c2o1 ZINC000131915193 371712881 /nfs/dbraw/zinc/71/28/81/371712881.db2.gz CLLFKOVXARMYKI-MRVPVSSYSA-N 0 0 206.216 2.949 10 30 BFEERN N#CCn1cc(C=O)c2ccc(Cl)cc21 ZINC000132418521 371817038 /nfs/dbraw/zinc/81/70/38/371817038.db2.gz DECVRJJOMOOJAK-UHFFFAOYSA-N 0 0 218.643 2.631 10 30 BFEERN C=CCNc1ccc(Br)cc1C#N ZINC000132721270 371906205 /nfs/dbraw/zinc/90/62/05/371906205.db2.gz SULGGOPIFHCJTM-UHFFFAOYSA-N 0 0 237.100 2.919 10 30 BFEERN C[C@H](C#N)[C@@H](O)c1sccc1Br ZINC000228023898 371978264 /nfs/dbraw/zinc/97/82/64/371978264.db2.gz HPZNCNDGQJAAEI-IYSWYEEDSA-N 0 0 246.129 2.704 10 30 BFEERN CO[C@@H](C#N)c1sccc1Br ZINC000228023591 371978634 /nfs/dbraw/zinc/97/86/34/371978634.db2.gz JKRUGXMLXNGOSW-LURJTMIESA-N 0 0 232.102 2.722 10 30 BFEERN CO[C@H](C#N)c1sccc1Br ZINC000228023601 371979083 /nfs/dbraw/zinc/97/90/83/371979083.db2.gz JKRUGXMLXNGOSW-ZCFIWIBFSA-N 0 0 232.102 2.722 10 30 BFEERN C=C(C)CC(=O)[C@@H]1SCCS[C@@H]1C ZINC000228078955 371986678 /nfs/dbraw/zinc/98/66/78/371986678.db2.gz AVDCBCXLCWXQCR-PSASIEDQSA-N 0 0 216.371 2.759 10 30 BFEERN COc1cc(Br)c(F)c(CC#N)c1 ZINC000217432285 371955476 /nfs/dbraw/zinc/95/54/76/371955476.db2.gz FAAVDWJHHBIQQU-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN COc1cc(F)c(Br)cc1CC#N ZINC000217435338 371955709 /nfs/dbraw/zinc/95/57/09/371955709.db2.gz HHUUQIRKAZZPOT-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN C=CCCN1CCC(Cl)=C(Cl)C1 ZINC000306594262 372041789 /nfs/dbraw/zinc/04/17/89/372041789.db2.gz FFXIMZPXOCLQLZ-UHFFFAOYSA-N 0 0 206.116 2.957 10 30 BFEERN C=C(C)C[C@H](O)[C@H]1SCCS[C@H]1C ZINC000228276690 372010182 /nfs/dbraw/zinc/01/01/82/372010182.db2.gz RAGXPWZNAFJMJI-GUBZILKMSA-N 0 0 218.387 2.551 10 30 BFEERN N#Cc1c(N)ccc(Cl)c1C(F)(F)F ZINC000306778108 372067569 /nfs/dbraw/zinc/06/75/69/372067569.db2.gz OGZISNJWMBXTEI-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN C#CC[C@H](C)Nc1nc(Cl)cs1 ZINC000228988265 372100462 /nfs/dbraw/zinc/10/04/62/372100462.db2.gz RMYNMDMSLKUJIL-LURJTMIESA-N 0 0 200.694 2.620 10 30 BFEERN C#CC[C@H](C)Nc1nc(Br)cs1 ZINC000228988581 372100617 /nfs/dbraw/zinc/10/06/17/372100617.db2.gz HBKRPYJXRUSUKJ-LURJTMIESA-N 0 0 245.145 2.729 10 30 BFEERN C=C[C@@H](C)Nc1nc(Cl)ncc1Cl ZINC000229319210 372142733 /nfs/dbraw/zinc/14/27/33/372142733.db2.gz FWMQGCNDYWQVPY-RXMQYKEDSA-N 0 0 218.087 2.770 10 30 BFEERN C=C(C)C(=O)[C@@H]1CCCc2cccnc21 ZINC000232576826 372146739 /nfs/dbraw/zinc/14/67/39/372146739.db2.gz ZPMZXPLKBGFHKD-LLVKDONJSA-N 0 0 201.269 2.647 10 30 BFEERN O=C(CCCCCCc1ccccc1)NO ZINC000026500475 181909365 /nfs/dbraw/zinc/90/93/65/181909365.db2.gz NNJQOJGUOHTKTF-UHFFFAOYSA-N 0 0 221.300 2.685 10 30 BFEERN COC(=O)c1cc(C(F)(F)F)c(C#N)cc1C ZINC000140466765 372688397 /nfs/dbraw/zinc/68/83/97/372688397.db2.gz WWCREVUKBPXGJJ-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN O=C(CS)c1ccc(Br)cc1 ZINC000039644479 182006522 /nfs/dbraw/zinc/00/65/22/182006522.db2.gz SSJRAUUZYUCFPO-UHFFFAOYSA-N 0 0 231.114 2.562 10 30 BFEERN N#CCc1ccc(O[C@H]2CCCCO2)cc1 ZINC000039214191 372907862 /nfs/dbraw/zinc/90/78/62/372907862.db2.gz IHOOKYJGJVMIBW-ZDUSSCGKSA-N 0 0 217.268 2.658 10 30 BFEERN N#Cc1ccc(-n2ccnc2)c(Br)c1 ZINC000142689342 373832692 /nfs/dbraw/zinc/83/26/92/373832692.db2.gz CHIKGZXBSHFSDU-UHFFFAOYSA-N 0 0 248.083 2.506 10 30 BFEERN O=C1C=CO[C@H](c2cccc(F)c2F)C1 ZINC000069850346 373876942 /nfs/dbraw/zinc/87/69/42/373876942.db2.gz ZEZPKUDCSNVIPB-JTQLQIEISA-N 0 0 210.179 2.509 10 30 BFEERN C#CC(C)(C)Nc1ccc(Br)cn1 ZINC000070119365 374121169 /nfs/dbraw/zinc/12/11/69/374121169.db2.gz JOKMWAHSJGSSMX-UHFFFAOYSA-N 0 0 239.116 2.668 10 30 BFEERN Cc1nn([C@H]2CCC[C@@H]2C#N)cc1Cl ZINC000070689295 374176709 /nfs/dbraw/zinc/17/67/09/374176709.db2.gz RECUMVPXGUAQGV-SCZZXKLOSA-N 0 0 209.680 2.710 10 30 BFEERN OCCC#Cc1ccc(COC2CCCC2)cc1 ZINC000049619844 183042961 /nfs/dbraw/zinc/04/29/61/183042961.db2.gz LMROGHCJQIRERQ-UHFFFAOYSA-N 0 0 244.334 2.880 10 30 BFEERN OCCOc1ccc(/C=N/c2ccccc2)cc1 ZINC000068591923 183087509 /nfs/dbraw/zinc/08/75/09/183087509.db2.gz LKCKQTBDHKGNFC-FOWTUZBSSA-N 0 0 241.290 2.808 10 30 BFEERN SCc1cc(Br)cs1 ZINC000060148388 183316066 /nfs/dbraw/zinc/31/60/66/183316066.db2.gz JJFMZLGLNKPDAW-UHFFFAOYSA-N 0 0 209.133 2.940 10 30 BFEERN CCCN[C@](C)(C#N)CCc1ccc(O)cc1 ZINC000020379986 169292603 /nfs/dbraw/zinc/29/26/03/169292603.db2.gz FROHLBBOQXDDAQ-AWEZNQCLSA-N 0 0 232.327 2.607 10 30 BFEERN CCCN[C@](C)(C#N)c1ccc(F)cc1 ZINC000040177208 169293053 /nfs/dbraw/zinc/29/30/53/169293053.db2.gz JCZKMOTXRKTAEL-GFCCVEGCSA-N 0 0 206.264 2.564 10 30 BFEERN CCCNc1c(C#N)cnc2ccccc21 ZINC000037507609 169293850 /nfs/dbraw/zinc/29/38/50/169293850.db2.gz LBJGBPWEMCVGBB-UHFFFAOYSA-N 0 0 211.268 2.928 10 30 BFEERN CCCSCc1ccc(/C(N)=N/O)cc1F ZINC000019870323 169339676 /nfs/dbraw/zinc/33/96/76/169339676.db2.gz MJGWKIXXUHBDMZ-UHFFFAOYSA-N 0 0 242.319 2.563 10 30 BFEERN CCC[C@@H](C#N)C(=O)N[C@H](C)C(CC)CC ZINC000104431835 169342872 /nfs/dbraw/zinc/34/28/72/169342872.db2.gz HUJIYOHIOBONNV-PWSUYJOCSA-N 0 0 224.348 2.867 10 30 BFEERN CCCOc1ccc2ccccc2c1C#CCO ZINC000038077813 169322907 /nfs/dbraw/zinc/32/29/07/169322907.db2.gz PCLWQZIWECUUFA-UHFFFAOYSA-N 0 0 240.302 2.972 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1ccc(C#N)cn1 ZINC000231663439 169434364 /nfs/dbraw/zinc/43/43/64/169434364.db2.gz ZNIDSUCJAJGXTA-MNOVXSKESA-N 0 0 201.273 2.554 10 30 BFEERN CCCc1noc(-c2ccc(C#N)cc2C)n1 ZINC000227793735 169600080 /nfs/dbraw/zinc/60/00/80/169600080.db2.gz HTUPHTZLTRHMMA-UHFFFAOYSA-N 0 0 227.267 2.869 10 30 BFEERN Cc1cc(CC#N)c(C(F)(F)F)cc1C#N ZINC000575645400 383949791 /nfs/dbraw/zinc/94/97/91/383949791.db2.gz FWEKEOSLXUNKPM-UHFFFAOYSA-N 0 0 224.185 2.952 10 30 BFEERN COc1ccc(C#N)c(CC#N)c1C(F)(F)F ZINC000575650673 384046144 /nfs/dbraw/zinc/04/61/44/384046144.db2.gz YPLJADMJMTZOFH-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN C=C(OC)C(C(C)=O)C(=O)c1ccc(C)cc1 ZINC000072416120 384118005 /nfs/dbraw/zinc/11/80/05/384118005.db2.gz BRDLWGAOYRWWNH-ACCUITESSA-N 0 0 232.279 2.687 10 30 BFEERN N#CCc1cc(OC(F)(F)F)cc(F)c1C#N ZINC000575646038 384192330 /nfs/dbraw/zinc/19/23/30/384192330.db2.gz GZAJYSJZSKMQOL-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN C[C@@H]1SCC[C@@]1(C#N)NCc1ccccc1 ZINC000235397989 384194893 /nfs/dbraw/zinc/19/48/93/384194893.db2.gz HCBYOIZZILXGBX-AAEUAGOBSA-N 0 0 232.352 2.564 10 30 BFEERN N#C[C@H]1CCCC[C@H]1Sc1ncc[nH]1 ZINC000236218191 384262255 /nfs/dbraw/zinc/26/22/55/384262255.db2.gz VWPGDPITRLKONX-RKDXNWHRSA-N 0 0 207.302 2.584 10 30 BFEERN CCOc1ccc(CC[C@H](C)C=O)cc1 ZINC000045805696 384408874 /nfs/dbraw/zinc/40/88/74/384408874.db2.gz SANFDYKKEKXTTR-NSHDSACASA-N 0 0 206.285 2.853 10 30 BFEERN O=C[C@]1(Cl)C=Cc2cc(Cl)ccc2N1 ZINC000095931630 384410713 /nfs/dbraw/zinc/41/07/13/384410713.db2.gz MJEJLYZCSWVZNB-JTQLQIEISA-N 0 0 228.078 2.913 10 30 BFEERN CC(=O)Nc1ccc([C@H](C)C#N)cc1Cl ZINC000095934876 384413408 /nfs/dbraw/zinc/41/34/08/384413408.db2.gz VHIRLDHNBREVHW-SSDOTTSWSA-N 0 0 222.675 2.925 10 30 BFEERN Cc1c(F)cc(OC(F)F)cc1CC#N ZINC000575661057 384414277 /nfs/dbraw/zinc/41/42/77/384414277.db2.gz HJDZBKAEJWFCOB-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN O=CCCc1cc(C(F)(F)F)ccc1F ZINC000095938092 384417185 /nfs/dbraw/zinc/41/71/85/384417185.db2.gz PQFSSZYGBZWGKV-UHFFFAOYSA-N 0 0 220.165 2.976 10 30 BFEERN Cc1cc(F)c(OC(F)F)c(CC#N)c1 ZINC000575661933 384418151 /nfs/dbraw/zinc/41/81/51/384418151.db2.gz WGRYKLXVQLAPDV-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN CCCCCCC[C@@H](O)C1=C[C@H](C)OC1=O ZINC000014261721 384386192 /nfs/dbraw/zinc/38/61/92/384386192.db2.gz YUMHJXLSSASJGN-CMPLNLGQSA-N 0 0 226.316 2.580 10 30 BFEERN COc1ccc(C)c(CC#N)c1OC(F)F ZINC000575664841 384429759 /nfs/dbraw/zinc/42/97/59/384429759.db2.gz LOMZMMBGWKMDRN-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN COC(=O)c1cc2c(cccc2Cl)n1CC#N ZINC000097053460 384492461 /nfs/dbraw/zinc/49/24/61/384492461.db2.gz NHISGCMLSOQLPM-UHFFFAOYSA-N 0 0 248.669 2.605 10 30 BFEERN C=CCN(C)C(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000161626550 384542910 /nfs/dbraw/zinc/54/29/10/384542910.db2.gz YYJDDDOVNDUULP-STQMWFEESA-N 0 0 221.344 2.847 10 30 BFEERN C[C@H]1CC[C@](O)(c2ccc(C#N)cc2)C1 ZINC000521400738 384629192 /nfs/dbraw/zinc/62/91/92/384629192.db2.gz CRJKAYMBGAANNK-GXFFZTMASA-N 0 0 201.269 2.566 10 30 BFEERN C[C@@H]1CC[C@@](O)(c2ccc(C#N)cc2)C1 ZINC000521400740 384630045 /nfs/dbraw/zinc/63/00/45/384630045.db2.gz CRJKAYMBGAANNK-MFKMUULPSA-N 0 0 201.269 2.566 10 30 BFEERN C#CCN(C)C(=O)[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000191149431 384825515 /nfs/dbraw/zinc/82/55/15/384825515.db2.gz DLEHNUVFZCQPEE-NWDGAFQWSA-N 0 0 221.344 2.540 10 30 BFEERN CCOc1ccc(C(F)(F)F)c(CC#N)c1N ZINC000575717465 384883824 /nfs/dbraw/zinc/88/38/24/384883824.db2.gz HNIJDCVXCBGRDX-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN FCCCOC(F)(F)[C@@H](F)C(F)(F)F ZINC000072265687 384888256 /nfs/dbraw/zinc/88/82/56/384888256.db2.gz CNWHQAFZRKHOBL-BYPYZUCNSA-N 0 0 228.107 2.856 10 30 BFEERN CCn1cc(C#N)c(=O)c2c(C)cc(C)cc21 ZINC000072237061 384843313 /nfs/dbraw/zinc/84/33/13/384843313.db2.gz LWYWAIUDMQPMGE-UHFFFAOYSA-N 0 0 226.279 2.510 10 30 BFEERN COC(=O)c1c(Cl)cc(C#N)cc1C(F)F ZINC000575713703 384857226 /nfs/dbraw/zinc/85/72/26/384857226.db2.gz XSOPXICZXDSBNH-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN N#CCc1cc(N)cc(Cl)c1OC(F)F ZINC000575715129 384865963 /nfs/dbraw/zinc/86/59/63/384865963.db2.gz SUBLCCXNMGRUHF-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN Cc1nc(CN[C@H]2CCC[C@H]2C#N)sc1C ZINC000336145077 384925096 /nfs/dbraw/zinc/92/50/96/384925096.db2.gz PLWQBODVJPVNJW-QWRGUYRKSA-N 0 0 235.356 2.542 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NC(=O)C1CCCCCC1 ZINC000061888458 384989610 /nfs/dbraw/zinc/98/96/10/384989610.db2.gz ACFWSACDVSMOMF-STQMWFEESA-N 0 0 234.343 2.765 10 30 BFEERN CCC(C)(C)CC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000408331342 385161661 /nfs/dbraw/zinc/16/16/61/385161661.db2.gz QXMOFPMDQJTSSR-GHMZBOCLSA-N 0 0 222.332 2.621 10 30 BFEERN C[C@H]1CC(CNc2cc(C#N)ccn2)C[C@H](C)O1 ZINC000287658820 385217548 /nfs/dbraw/zinc/21/75/48/385217548.db2.gz ILNYYHNSFRYHHF-QWRGUYRKSA-N 0 0 245.326 2.569 10 30 BFEERN CC(C)Oc1ccc([C@@H]2C[C@H]2C=O)cc1 ZINC000575602044 385266754 /nfs/dbraw/zinc/26/67/54/385266754.db2.gz KDFLFPRDNVWNHC-AAEUAGOBSA-N 0 0 204.269 2.776 10 30 BFEERN C#CC[C@@H](C)NC(=O)[C@H]1CCCc2sccc21 ZINC000157745412 385271621 /nfs/dbraw/zinc/27/16/21/385271621.db2.gz JYSXRJDMZUBRIW-PWSUYJOCSA-N 0 0 247.363 2.696 10 30 BFEERN C=CCCCN(C)c1cc(C)nc(C)c1C#N ZINC000158082352 385334684 /nfs/dbraw/zinc/33/46/84/385334684.db2.gz BVOFKXFPNBEXID-UHFFFAOYSA-N 0 0 229.327 2.973 10 30 BFEERN C=C[C@@H](C)Nc1cc(F)ccc1[N+](=O)[O-] ZINC000229241761 134449987 /nfs/dbraw/zinc/44/99/87/134449987.db2.gz QWVWYCKQXAQDDM-SSDOTTSWSA-N 0 0 210.208 2.720 10 30 BFEERN Cc1ccc(F)c(Br)c1C#N ZINC000258021494 385528906 /nfs/dbraw/zinc/52/89/06/385528906.db2.gz JJGYYWDEBDQXKC-UHFFFAOYSA-N 0 0 214.037 2.768 10 30 BFEERN C[C@@H]1[C@@H](C#N)CCCN1C(=O)OC(C)(C)C ZINC000197212523 385525541 /nfs/dbraw/zinc/52/55/41/385525541.db2.gz HWOZEZOUTHQHSW-NXEZZACHSA-N 0 0 224.304 2.546 10 30 BFEERN CC[C@@H]1CCCC[C@@H]1N(C)c1nccc(C#N)n1 ZINC000408459748 385726633 /nfs/dbraw/zinc/72/66/33/385726633.db2.gz ZJYXIFZFUFGWOO-YPMHNXCESA-N 0 0 244.342 2.753 10 30 BFEERN COC(=O)C[C@H](C#N)c1ccc(Cl)cc1 ZINC000057516326 385937339 /nfs/dbraw/zinc/93/73/39/385937339.db2.gz LQFDPZVOVHFIQX-SECBINFHSA-N 0 0 223.659 2.510 10 30 BFEERN CC(C)C(=O)[C@H](C#N)Cc1ccccc1 ZINC000261508462 386028986 /nfs/dbraw/zinc/02/89/86/386028986.db2.gz SRPUVKGWIRBDLJ-LBPRGKRZSA-N 0 0 201.269 2.594 10 30 BFEERN CN1c2ccccc2SC1=CC(=O)C(F)F ZINC000318815812 386072033 /nfs/dbraw/zinc/07/20/33/386072033.db2.gz PNNBYLQQNLNNKQ-UXBLZVDNSA-N 0 0 241.262 2.904 10 30 BFEERN C[C@H](Nc1cccc(F)c1C#N)[C@H]1CCCO1 ZINC000112011829 386185365 /nfs/dbraw/zinc/18/53/65/386185365.db2.gz HGNRBAYUXPLLCB-TVQRCGJNSA-N 0 0 234.274 2.677 10 30 BFEERN C[C@H]1CC[C@@](O)(c2cccc(C#N)c2)C1 ZINC000521400467 386446300 /nfs/dbraw/zinc/44/63/00/386446300.db2.gz AALBEBAQAZROEY-GWCFXTLKSA-N 0 0 201.269 2.566 10 30 BFEERN Cc1cc(C#N)nc(N2CCC23CCCCC3)n1 ZINC000367417443 386516392 /nfs/dbraw/zinc/51/63/92/386516392.db2.gz GLODEGAQCFQJIH-UHFFFAOYSA-N 0 0 242.326 2.570 10 30 BFEERN C/C=C/CCNc1cc(C)nc(C)c1C#N ZINC000135511168 386519151 /nfs/dbraw/zinc/51/91/51/386519151.db2.gz BEIDHWPDGSNQOQ-SNAWJCMRSA-N 0 0 215.300 2.948 10 30 BFEERN CCOc1c(CC#N)ccc(C#N)c1C(F)F ZINC000575641272 386573803 /nfs/dbraw/zinc/57/38/03/386573803.db2.gz MVVRNAZAYOYQMF-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN COC(=O)c1cc(F)cc(C(F)(F)F)c1C#N ZINC000575344975 386711708 /nfs/dbraw/zinc/71/17/08/386711708.db2.gz LIYNPMRCOCMVGR-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN COC(=O)Cc1cc(C)c(C#N)c(C(F)F)c1 ZINC000575344025 386690700 /nfs/dbraw/zinc/69/07/00/386690700.db2.gz MRIGEXWHXSMONB-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN COC(=O)Cc1cc(C#N)cc(C(F)F)c1C ZINC000575343710 386691157 /nfs/dbraw/zinc/69/11/57/386691157.db2.gz CRBRVNQSGRQVQH-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN CCOC(=O)c1ccc(C)c(C(F)F)c1C#N ZINC000575343634 386691179 /nfs/dbraw/zinc/69/11/79/386691179.db2.gz UDICGIQVOSXCEK-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)Cc1c(C#N)ccc(C)c1C(F)F ZINC000575343771 386691301 /nfs/dbraw/zinc/69/13/01/386691301.db2.gz HTAQACQYOJZDKV-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN CCOC(=O)c1cc(C#N)cc(C)c1C(F)F ZINC000575343611 386691330 /nfs/dbraw/zinc/69/13/30/386691330.db2.gz QAIWHMSMWQKXJF-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN CCOC(=O)c1c(C)c(C#N)ccc1C(F)F ZINC000575343640 386691982 /nfs/dbraw/zinc/69/19/82/386691982.db2.gz UPLBAQRYOXCPKZ-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN CCOC(=O)c1cc(C(F)F)c(C#N)cc1C ZINC000575343582 386692047 /nfs/dbraw/zinc/69/20/47/386692047.db2.gz LNRYXGNDVQVIQX-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN CCOC(=O)c1cc(C(F)F)cc(C#N)c1C ZINC000575343561 386692295 /nfs/dbraw/zinc/69/22/95/386692295.db2.gz JBRNGUJJBOFHSG-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN C=CCCC(=O)c1ccc(C(=O)OC)cc1C ZINC000575362305 386766497 /nfs/dbraw/zinc/76/64/97/386766497.db2.gz FGTPYKKZSMULFK-UHFFFAOYSA-N 0 0 232.279 2.931 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)CC1=CCCCC1 ZINC000334639982 386785006 /nfs/dbraw/zinc/78/50/06/386785006.db2.gz WEOLGTUNLJRBEM-QWHCGFSZSA-N 0 0 232.327 2.685 10 30 BFEERN CCc1c(C#N)ccc(C(F)F)c1C(=O)OC ZINC000575389427 386952893 /nfs/dbraw/zinc/95/28/93/386952893.db2.gz HJBRCUWFSXUYIU-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCc1cc(C#N)cc(C(F)F)c1C(=O)OC ZINC000575389973 386955096 /nfs/dbraw/zinc/95/50/96/386955096.db2.gz XMFNJEHRQYVDOM-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)c1ccc(C#N)c(F)c1C(F)F ZINC000575389699 386955201 /nfs/dbraw/zinc/95/52/01/386955201.db2.gz KJTMYLBZTOFCPA-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCc1c(C(=O)OC)ccc(C#N)c1C(F)F ZINC000575389971 386955347 /nfs/dbraw/zinc/95/53/47/386955347.db2.gz XJKMXJFQIMKMFS-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN COC(=O)c1cc(C#N)c(C)c(C(F)(F)F)c1 ZINC000575395130 386996771 /nfs/dbraw/zinc/99/67/71/386996771.db2.gz OUCXKECOWAOBBK-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1c(C#N)c(C)ccc1C(F)(F)F ZINC000575395291 386997185 /nfs/dbraw/zinc/99/71/85/386997185.db2.gz WTRYUTOBEYFVKL-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN COC(=O)c1cc(C(F)(F)F)c(C)cc1C#N ZINC000575394694 386998231 /nfs/dbraw/zinc/99/82/31/386998231.db2.gz LLKUWIJTCKGZKV-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN CCOC(=O)Cc1cc(C#N)cc(CC)c1C ZINC000575388761 386951398 /nfs/dbraw/zinc/95/13/98/386951398.db2.gz DGDWVDOCWATIGH-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOc1c(C)c(OC(F)F)ccc1C#N ZINC000575655935 387036826 /nfs/dbraw/zinc/03/68/26/387036826.db2.gz CFIUJVDEGILMPF-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN O=C(/C=C/Cl)c1cc(Cl)ccc1[O-] ZINC000575460857 387038500 /nfs/dbraw/zinc/03/85/00/387038500.db2.gz CHSLIJUQQQIMOC-ONEGZZNKSA-N 0 0 217.051 2.981 10 30 BFEERN CCOc1c(F)ccc(OC(F)F)c1C#N ZINC000575655732 387040102 /nfs/dbraw/zinc/04/01/02/387040102.db2.gz MBDFHFUBNWACHN-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1c(C#N)cc(C)cc1OC(F)F ZINC000575656849 387042418 /nfs/dbraw/zinc/04/24/18/387042418.db2.gz KKHBQHQJRSKIGS-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1cc(C#N)c(OC(F)F)cc1C ZINC000575658296 387045906 /nfs/dbraw/zinc/04/59/06/387045906.db2.gz RYLFCJJGVFRIJV-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1cc(OC(F)F)c(C#N)cc1C ZINC000575658088 387046246 /nfs/dbraw/zinc/04/62/46/387046246.db2.gz QQXUKFQTPMMDFD-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCOc1c(C#N)c(C)ccc1OC(F)F ZINC000575658970 387048910 /nfs/dbraw/zinc/04/89/10/387048910.db2.gz XMZQEWXPUMKEIY-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN COc1ccc(OC(F)F)c(CC#N)c1F ZINC000575659147 387049005 /nfs/dbraw/zinc/04/90/05/387049005.db2.gz CLRICBOMNXOLFH-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN CCOc1cc(C#N)c(C)cc1OC(F)F ZINC000575659040 387049701 /nfs/dbraw/zinc/04/97/01/387049701.db2.gz YJZYRRWBOJZMBJ-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN COc1cc(F)c(CC#N)cc1OC(F)F ZINC000575660066 387052147 /nfs/dbraw/zinc/05/21/47/387052147.db2.gz OUFPDOOLQBYEJZ-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN Cc1c(CC#N)cc(F)cc1OC(F)F ZINC000575661080 387052499 /nfs/dbraw/zinc/05/24/99/387052499.db2.gz IHHKMHHOTOMHHF-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN CCc1c(C#N)cc([N+](=O)[O-])cc1OC(F)F ZINC000575660074 387052594 /nfs/dbraw/zinc/05/25/94/387052594.db2.gz SDHRULKJVFUUDZ-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN CCc1ccc(OC(F)F)c(C#N)c1[N+](=O)[O-] ZINC000575660435 387054087 /nfs/dbraw/zinc/05/40/87/387054087.db2.gz VREOJTOHZBVRHN-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN Cc1c(CC#N)ccc(F)c1OC(F)F ZINC000575661404 387059586 /nfs/dbraw/zinc/05/95/86/387059586.db2.gz OTMMLDFKLGWBMA-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN Cc1ccc(CC#N)c(OC(F)F)c1F ZINC000575661376 387060099 /nfs/dbraw/zinc/06/00/99/387060099.db2.gz MZTRJGNVEDXYKD-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN COC(=O)C#Cc1cc(Cl)cc(Cl)c1 ZINC000070835449 387076899 /nfs/dbraw/zinc/07/68/99/387076899.db2.gz MUATVVRPLPDPII-UHFFFAOYSA-N 0 0 229.062 2.518 10 30 BFEERN C/C=C/C(=O)c1nscc1Br ZINC000575469226 387088771 /nfs/dbraw/zinc/08/87/71/387088771.db2.gz TVDLSWDTFXEPRY-NSCUHMNNSA-N 0 0 232.102 2.664 10 30 BFEERN [N-]=[N+]=Nc1ccc(I)cn1 ZINC000575471872 387110641 /nfs/dbraw/zinc/11/06/41/387110641.db2.gz REXOGCIJBQIVQF-UHFFFAOYSA-N 0 0 246.011 2.628 10 30 BFEERN Cc1cc(C#N)cc(OC(F)F)c1F ZINC000575661657 387112650 /nfs/dbraw/zinc/11/26/50/387112650.db2.gz RMCSBNJQFOUJBJ-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN Cc1ccc(CC#N)c(F)c1OC(F)F ZINC000575661663 387113271 /nfs/dbraw/zinc/11/32/71/387113271.db2.gz SAWNRRJTBOKGIP-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN C[C@@H](Nc1cnccc1C#N)c1cccc(O)c1 ZINC000354577134 387126140 /nfs/dbraw/zinc/12/61/40/387126140.db2.gz YQZPVFLGFIYASS-SNVBAGLBSA-N 0 0 239.278 2.832 10 30 BFEERN CCOc1cc(C(F)F)c(O)cc1CC#N ZINC000575664857 387310916 /nfs/dbraw/zinc/31/09/16/387310916.db2.gz AOKXESIXBJRDQC-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN Cc1c(CC#N)c(OC(F)F)ccc1[N+](=O)[O-] ZINC000575666242 387316927 /nfs/dbraw/zinc/31/69/27/387316927.db2.gz HNRCYEABCWAEGV-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN CCOc1cc(CC#N)cc(C(F)F)c1O ZINC000575666790 387319197 /nfs/dbraw/zinc/31/91/97/387319197.db2.gz MEKIXQCETXQYDZ-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN CCc1cccc2c(Cl)c(C#N)nnc12 ZINC000575601007 387361066 /nfs/dbraw/zinc/36/10/66/387361066.db2.gz DYFICGUDQGBYHR-UHFFFAOYSA-N 0 0 217.659 2.717 10 30 BFEERN COc1ccc(/C=C2\CCCCC2=O)c(O)c1 ZINC000575601627 387361513 /nfs/dbraw/zinc/36/15/13/387361513.db2.gz KCRZGBGYRDPNRZ-CSKARUKUSA-N 0 0 232.279 2.927 10 30 BFEERN CC(C)Oc1ccc([C@@H]2C[C@@H]2C=O)cc1 ZINC000575602056 387369495 /nfs/dbraw/zinc/36/94/95/387369495.db2.gz KDFLFPRDNVWNHC-YPMHNXCESA-N 0 0 204.269 2.776 10 30 BFEERN Cc1cc(Br)c(O)c(CC#N)c1 ZINC000575691582 387378936 /nfs/dbraw/zinc/37/89/36/387378936.db2.gz OEQAEIBVVOOIMR-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN COc1c(C)c(OC(F)F)ccc1CC#N ZINC000575666654 387319404 /nfs/dbraw/zinc/31/94/04/387319404.db2.gz YBPKAIWVNXPVIE-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN N#CCc1c(F)cc(O)cc1C(F)F ZINC000575667773 387324017 /nfs/dbraw/zinc/32/40/17/387324017.db2.gz MGJDKWXIDWMYQN-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN Cc1ccc(CC#N)c([N+](=O)[O-])c1OC(F)F ZINC000575668275 387325825 /nfs/dbraw/zinc/32/58/25/387325825.db2.gz UDUGELQEDQPAAQ-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN CC(C)(C)OC(=O)N[C@]1(C#N)CCC(C)(C)C1 ZINC000575497457 387328127 /nfs/dbraw/zinc/32/81/27/387328127.db2.gz VORGFLGWUCTGRP-CYBMUJFWSA-N 0 0 238.331 2.984 10 30 BFEERN N#Cc1cc(C(F)F)c([N+](=O)[O-])cc1F ZINC000575669647 387329518 /nfs/dbraw/zinc/32/95/18/387329518.db2.gz HKJDECJOBJAPHY-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN N#Cc1cc(C(F)F)cc([N+](=O)[O-])c1F ZINC000575669761 387330578 /nfs/dbraw/zinc/33/05/78/387330578.db2.gz MYKPISKOCHYOAF-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN CCOc1c(F)cc(OC(F)(F)F)cc1C#N ZINC000575671467 387334954 /nfs/dbraw/zinc/33/49/54/387334954.db2.gz XZCTXFOPRFRXQO-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN CCOc1c(O)cc(C(F)(F)F)cc1C#N ZINC000575671073 387337389 /nfs/dbraw/zinc/33/73/89/387337389.db2.gz SRMNKZQPZHTWJV-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN CCc1cc(N)c(CC#N)cc1Br ZINC000575714862 387428357 /nfs/dbraw/zinc/42/83/57/387428357.db2.gz UTXBLJXPAXHCPG-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN CCOc1cc(CC#N)c(N)c(C(F)(F)F)c1 ZINC000575718779 387428919 /nfs/dbraw/zinc/42/89/19/387428919.db2.gz YSXYAGNJTPLBAK-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN N#CCc1cc(OC(F)F)cc(N)c1Cl ZINC000575714942 387429217 /nfs/dbraw/zinc/42/92/17/387429217.db2.gz QEAXUIJXHOZDMF-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN CCOc1c(N)ccc(C(F)(F)F)c1CC#N ZINC000575717192 387434773 /nfs/dbraw/zinc/43/47/73/387434773.db2.gz CRRDRKKLDDTPMS-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN C[C@H](C#N)Nc1cccc(Br)c1F ZINC000575523515 387457376 /nfs/dbraw/zinc/45/73/76/387457376.db2.gz LYOKYXQGXHIQGH-ZCFIWIBFSA-N 0 0 243.079 2.912 10 30 BFEERN CCOc1cc(F)c(CC#N)c(CC)c1 ZINC000575695456 387395921 /nfs/dbraw/zinc/39/59/21/387395921.db2.gz KQHRGYFRIWSZRJ-UHFFFAOYSA-N 0 0 207.248 2.853 10 30 BFEERN COc1c(OC(F)(F)F)ccc(F)c1CC#N ZINC000575708272 387412844 /nfs/dbraw/zinc/41/28/44/387412844.db2.gz LXAVTVACWLKILP-UHFFFAOYSA-N 0 0 249.163 2.799 10 30 BFEERN COC(=O)c1c(Cl)ccc(C#N)c1C(F)F ZINC000575712865 387416587 /nfs/dbraw/zinc/41/65/87/387416587.db2.gz MCMOKIIHBIUYBL-UHFFFAOYSA-N 0 0 245.612 2.936 10 30 BFEERN CCc1cc(Br)c(CC#N)cc1N ZINC000575713797 387419174 /nfs/dbraw/zinc/41/91/74/387419174.db2.gz CXVZMJPVIDAOPR-UHFFFAOYSA-N 0 0 239.116 2.660 10 30 BFEERN N#CCc1cc(Cl)c(N)c(Br)c1 ZINC000575713759 387419284 /nfs/dbraw/zinc/41/92/84/387419284.db2.gz BPELDNGGERSFCI-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN C=C(C)[C@H](C)C(=O)c1ccc([N+](=O)[O-])cc1 ZINC000584623764 387502879 /nfs/dbraw/zinc/50/28/79/387502879.db2.gz GWZFEOKMZREUCG-VIFPVBQESA-N 0 0 219.240 2.990 10 30 BFEERN CC(C)[C@H](C)NC(=O)C1(C#N)CCCCC1 ZINC000044385471 387679045 /nfs/dbraw/zinc/67/90/45/387679045.db2.gz GKMVMWBBXLVIDF-NSHDSACASA-N 0 0 222.332 2.621 10 30 BFEERN CCc1c(C#N)cc(OC(F)F)cc1CC#N ZINC000575640272 387838231 /nfs/dbraw/zinc/83/82/31/387838231.db2.gz NBGCGYSVSIQYDC-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN CCOc1cc(C#N)c(C(F)F)c(CC#N)c1 ZINC000575640647 387839489 /nfs/dbraw/zinc/83/94/89/387839489.db2.gz HVUCMGRXDYLGIR-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN Cc1c(C#N)cc(OC(F)F)cc1CC#N ZINC000575641135 387841643 /nfs/dbraw/zinc/84/16/43/387841643.db2.gz NJUOEQSASMCXFF-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CCOc1cc(CC#N)c(C(F)F)cc1C#N ZINC000575642318 387848018 /nfs/dbraw/zinc/84/80/18/387848018.db2.gz ZBOMAFKHKQBSEL-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C#N)cc1C ZINC000061888847 387848737 /nfs/dbraw/zinc/84/87/37/387848737.db2.gz WGGSHDVCMYWNIL-ZIAGYGMSSA-N 0 0 242.322 2.726 10 30 BFEERN COc1c(C#N)cc(C(F)F)cc1CC#N ZINC000575643313 387858757 /nfs/dbraw/zinc/85/87/57/387858757.db2.gz OTGTUFJOBXTAOV-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)N(C)c1ccc(C#N)cc1 ZINC000230058394 387868549 /nfs/dbraw/zinc/86/85/49/387868549.db2.gz VJZGPZCVOJIEBH-BXUZGUMPSA-N 0 0 242.322 2.957 10 30 BFEERN COc1cc(CC#N)c(C#N)cc1C(F)F ZINC000575643854 387869121 /nfs/dbraw/zinc/86/91/21/387869121.db2.gz VKJXQOMGDLJYLP-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN C#CCNC(=O)/C(C)=C(\C)c1ccc(C)cc1 ZINC000169339183 387818277 /nfs/dbraw/zinc/81/82/77/387818277.db2.gz AJCDAZJNFUARBH-OUKQBFOZSA-N 0 0 227.307 2.538 10 30 BFEERN N#CCc1cc(C(F)(F)F)c(C#N)cc1F ZINC000575650708 387891329 /nfs/dbraw/zinc/89/13/29/387891329.db2.gz ZTWQSVXAMTUEEP-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN N#CCc1ccc(C#N)c(C(F)(F)F)c1F ZINC000575648204 387893472 /nfs/dbraw/zinc/89/34/72/387893472.db2.gz PCHSPBHYLSTWAZ-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN CCc1cc(OC(F)F)cc(F)c1C#N ZINC000575653282 387894526 /nfs/dbraw/zinc/89/45/26/387894526.db2.gz DJUZXABQGQKSEX-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN CCc1c(CC#N)cc(O)cc1OC(F)F ZINC000575654275 387897849 /nfs/dbraw/zinc/89/78/49/387897849.db2.gz APCAYTYCLISWMK-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN COc1ccc(CC#N)c(C#N)c1C(F)(F)F ZINC000575646996 387880361 /nfs/dbraw/zinc/88/03/61/387880361.db2.gz LXPXCBJNHQMMCS-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN N#CCc1c(C#N)cc(F)cc1C(F)(F)F ZINC000575649855 387888771 /nfs/dbraw/zinc/88/87/71/387888771.db2.gz UZQLNCUEKCCOIN-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN Cc1csc([C@@H]2CCC[N@H+](CCCC#N)C2)n1 ZINC000195329325 387920073 /nfs/dbraw/zinc/92/00/73/387920073.db2.gz VXNRHRBGGCBRPB-GFCCVEGCSA-N 0 0 249.383 2.935 10 30 BFEERN CC(C)=CC(=O)c1ncccc1Br ZINC000133057949 388377261 /nfs/dbraw/zinc/37/72/61/388377261.db2.gz BABOGHWHKGEOFT-UHFFFAOYSA-N 0 0 240.100 2.993 10 30 BFEERN CC#CCC(=O)[C@@H]1SCCS[C@@H]1CC ZINC000228083501 388378499 /nfs/dbraw/zinc/37/84/99/388378499.db2.gz OZGBJZMUYPXDEA-MNOVXSKESA-N 0 0 228.382 2.596 10 30 BFEERN CO[C@@H]1CC[C@H](Nc2cc(C)nc(C)c2C#N)C1 ZINC000231682107 388387456 /nfs/dbraw/zinc/38/74/56/388387456.db2.gz BKADPPVLXZFVNJ-NWDGAFQWSA-N 0 0 245.326 2.550 10 30 BFEERN C[C@H]1OCC[C@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000134381484 388398585 /nfs/dbraw/zinc/39/85/85/388398585.db2.gz XCRYDOYIRDPZSY-PRHODGIISA-N 0 0 236.702 2.801 10 30 BFEERN CC(C)[C@H](C)CC(=O)NC1(C#N)CCCC1 ZINC000069382474 388415770 /nfs/dbraw/zinc/41/57/70/388415770.db2.gz FHUKNRJUXAHZCE-LLVKDONJSA-N 0 0 222.332 2.621 10 30 BFEERN N#Cc1cccc(NC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)c1 ZINC000245483607 388420520 /nfs/dbraw/zinc/42/05/20/388420520.db2.gz FUMMQVTUVNPWNR-WDNDVIMCSA-N 0 0 240.306 2.933 10 30 BFEERN CCOC(=O)c1cc(C#N)cc(F)c1C(F)F ZINC000575389359 388484712 /nfs/dbraw/zinc/48/47/12/388484712.db2.gz BRBAKHPONJWYMI-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN C=C(Br)CSc1ccncc1N ZINC000037681578 388569480 /nfs/dbraw/zinc/56/94/80/388569480.db2.gz RHLCTYMHUMWRME-UHFFFAOYSA-N 0 0 245.145 2.665 10 30 BFEERN CC(C)COCCNc1cccc(F)c1C#N ZINC000076847831 388670391 /nfs/dbraw/zinc/67/03/91/388670391.db2.gz JIAIGPWZASNXHU-UHFFFAOYSA-N 0 0 236.290 2.782 10 30 BFEERN C[C@H]1CCC[C@@]1(O)c1ccccc1C#N ZINC000521401503 388671934 /nfs/dbraw/zinc/67/19/34/388671934.db2.gz IQHJMOKJXKFJBL-GWCFXTLKSA-N 0 0 201.269 2.566 10 30 BFEERN CCc1ccc(CNc2ccc(C#N)nn2)cc1 ZINC000302006510 388618523 /nfs/dbraw/zinc/61/85/23/388618523.db2.gz UGHUZLAKTKYCFM-UHFFFAOYSA-N 0 0 238.294 2.523 10 30 BFEERN Cc1cccc(NC(=O)CS)c1Cl ZINC000300935650 388623112 /nfs/dbraw/zinc/62/31/12/388623112.db2.gz WVMJXQGQVZYTMC-UHFFFAOYSA-N 0 0 215.705 2.517 10 30 BFEERN Cc1cc(CN[C@@H]2CCC[C@H]2C#N)cs1 ZINC000328512251 388644783 /nfs/dbraw/zinc/64/47/83/388644783.db2.gz BZADEVAWXTVSTN-NWDGAFQWSA-N 0 0 220.341 2.838 10 30 BFEERN CCC[C@H]1C[C@H]1Nc1nc(C)ccc1C#N ZINC000161641557 388707532 /nfs/dbraw/zinc/70/75/32/388707532.db2.gz FZWCEBJDLRPYNI-CMPLNLGQSA-N 0 0 215.300 2.862 10 30 BFEERN CC1CC(C(=O)Nc2ccc(C#N)cc2)C1 ZINC000531000974 388716845 /nfs/dbraw/zinc/71/68/45/388716845.db2.gz DDLWRBXVUPWOQA-UHFFFAOYSA-N 0 0 214.268 2.543 10 30 BFEERN C[C@H]1CC(CNc2ccc(C#N)cn2)C[C@H](C)O1 ZINC000281945758 388811207 /nfs/dbraw/zinc/81/12/07/388811207.db2.gz SOMOHCVNELLBMI-QWRGUYRKSA-N 0 0 245.326 2.569 10 30 BFEERN COC(=O)Cc1cc(C)c(C(F)F)cc1C#N ZINC000575343702 388812621 /nfs/dbraw/zinc/81/26/21/388812621.db2.gz CARFNEJNSPKKCA-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN COC(=O)Cc1cc(C#N)c(C)c(C(F)F)c1 ZINC000575343946 388819586 /nfs/dbraw/zinc/81/95/86/388819586.db2.gz KMXZJLCJEFQAFC-UHFFFAOYSA-N 0 0 239.221 2.520 10 30 BFEERN N#Cc1cccc(N=Cc2ccc(O)c(O)c2)c1 ZINC000254565634 388829089 /nfs/dbraw/zinc/82/90/89/388829089.db2.gz BUCMAJIKBMRFDL-UHFFFAOYSA-N 0 0 238.246 2.720 10 30 BFEERN CCOC=Nc1sc2c(c1C#N)CCC2 ZINC000254570284 388830006 /nfs/dbraw/zinc/83/00/06/388830006.db2.gz FFAUOYQUGWVXPD-UHFFFAOYSA-N 0 0 220.297 2.805 10 30 BFEERN C=C(C)[C@@H](O)c1cc(N)ccc1Br ZINC000575465742 388836098 /nfs/dbraw/zinc/83/60/98/388836098.db2.gz TUGQINDWQGYSIQ-SNVBAGLBSA-N 0 0 242.116 2.641 10 30 BFEERN COc1ccc2c(c1)CCC1=C(C)C(=O)CCN21 ZINC000013580662 132322019 /nfs/dbraw/zinc/32/20/19/132322019.db2.gz QIIKIKZTZRTDQO-UHFFFAOYSA-N 0 0 243.306 2.695 10 30 BFEERN ON=C1CCN(c2ccc3ccccc3n2)CC1 ZINC000019437610 132325244 /nfs/dbraw/zinc/32/52/44/132325244.db2.gz LFKYOASSOVGCEN-UHFFFAOYSA-N 0 0 241.294 2.665 10 30 BFEERN C[C@@H](C#N)CN1c2ccccc2CC[C@H]1C ZINC000036668768 132342206 /nfs/dbraw/zinc/34/22/06/132342206.db2.gz QSPILPRPWAJHFS-NWDGAFQWSA-N 0 0 214.312 2.987 10 30 BFEERN N#CCCCCN1CCCc2c(N)cccc21 ZINC000037906186 132345636 /nfs/dbraw/zinc/34/56/36/132345636.db2.gz JHDXCSRVXDRDHQ-UHFFFAOYSA-N 0 0 229.327 2.715 10 30 BFEERN CCCO[C@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000042425011 132351664 /nfs/dbraw/zinc/35/16/64/132351664.db2.gz KFKZUFAGTOBTDZ-HNNXBMFYSA-N 0 0 244.338 2.954 10 30 BFEERN N#CCCCCN1CCCc2cc(N)ccc21 ZINC000049578657 132356222 /nfs/dbraw/zinc/35/62/22/132356222.db2.gz FSBVUNMRPJOHHC-UHFFFAOYSA-N 0 0 229.327 2.715 10 30 BFEERN Cc1ccc(C#N)c(N2CC[C@H](C)C[C@@H]2C)n1 ZINC000051733980 132361797 /nfs/dbraw/zinc/36/17/97/132361797.db2.gz NMONVARKDRDYCD-JQWIXIFHSA-N 0 0 229.327 2.887 10 30 BFEERN N#Cc1cc(Cl)ccc1N1CCC[C@@H](C=O)C1 ZINC000054268601 132364138 /nfs/dbraw/zinc/36/41/38/132364138.db2.gz YVUFKPSOZSFTDQ-SNVBAGLBSA-N 0 0 248.713 2.627 10 30 BFEERN N#Cc1cccc(Nc2cc(C#N)ccn2)c1 ZINC000019422322 133452394 /nfs/dbraw/zinc/45/23/94/133452394.db2.gz WEPBSKUPRILNKY-UHFFFAOYSA-N 0 0 220.235 2.569 10 30 BFEERN CC1CC(NC(=O)C[C@H]2CCCCNC2=O)C1 ZINC000329282394 133962845 /nfs/dbraw/zinc/96/28/45/133962845.db2.gz MVBBTQRKIIXGTF-HSOILSAZSA-N 0 0 238.331 2.888 10 30 BFEERN C[C@]12CCN(CC3(C#N)CCC3)C[C@H]1C2(F)F ZINC000336275665 134141953 /nfs/dbraw/zinc/14/19/53/134141953.db2.gz XCOZKFQOMLXGJV-MNOVXSKESA-N 0 0 240.297 2.657 10 30 BFEERN N#CC1(C(=O)N2C[C@@H]3CCCCC[C@@H]32)CCCC1 ZINC000370244749 134225099 /nfs/dbraw/zinc/22/50/99/134225099.db2.gz RCAHXLVMYUFNRX-STQMWFEESA-N 0 0 246.354 2.861 10 30 BFEERN N#CC1(C(=O)N2CCC23CCCCC3)CCC1 ZINC000376428699 134242273 /nfs/dbraw/zinc/24/22/73/134242273.db2.gz SATFPRHHLPAIIF-UHFFFAOYSA-N 0 0 232.327 2.615 10 30 BFEERN Cc1cnc([C@@H](C)NCc2ccc(C#N)cc2)o1 ZINC000220909176 134314904 /nfs/dbraw/zinc/31/49/04/134314904.db2.gz CCEOCBWCXBYOOT-LLVKDONJSA-N 0 0 241.294 2.706 10 30 BFEERN C=C(C)CN(C)C(=O)[C@@H]1Oc2ccccc2[C@H]1C ZINC000180434307 134327406 /nfs/dbraw/zinc/32/74/06/134327406.db2.gz LTPHNMDTJKWFKT-BXUZGUMPSA-N 0 0 245.322 2.586 10 30 BFEERN C=C(C)C[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000182853063 134349204 /nfs/dbraw/zinc/34/92/04/134349204.db2.gz NCUZZRRDRRCQNX-UHFFFAOYSA-N 0 0 246.354 2.809 10 30 BFEERN Cc1cnc([C@H](C)NCc2ccc(C#N)s2)o1 ZINC000227556022 134383560 /nfs/dbraw/zinc/38/35/60/134383560.db2.gz GCJIDNCPCSBRHV-VIFPVBQESA-N 0 0 247.323 2.767 10 30 BFEERN N#CCc1ccc(NCC2CCOCC2)cc1 ZINC000052172686 134384628 /nfs/dbraw/zinc/38/46/28/134384628.db2.gz HFJNCMNUNMCHKR-UHFFFAOYSA-N 0 0 230.311 2.591 10 30 BFEERN CC[C@@H]1C[C@@H]1Nc1ccc(F)cc1C#N ZINC000230905969 134535124 /nfs/dbraw/zinc/53/51/24/134535124.db2.gz OBBYYYXSJOMDRM-PELKAZGASA-N 0 0 204.248 2.908 10 30 BFEERN CC[C@@H](OC)c1noc(-c2ccc(C#N)s2)n1 ZINC000233902254 134570867 /nfs/dbraw/zinc/57/08/67/134570867.db2.gz BYZQWPJUUGTHGB-MRVPVSSYSA-N 0 0 249.295 2.767 10 30 BFEERN CCC1CCC(C(=O)N[C@@H](C#N)C(C)C)CC1 ZINC000328321574 134602319 /nfs/dbraw/zinc/60/23/19/134602319.db2.gz FFSHOLMQTKYJIV-BPCQOVAHSA-N 0 0 236.359 2.867 10 30 BFEERN N#Cc1cnc(N[C@H]2CCC[C@H]2C#N)c(Cl)c1 ZINC000408328671 134724355 /nfs/dbraw/zinc/72/43/55/134724355.db2.gz KDQZMEAQFPDLAH-ONGXEEELSA-N 0 0 246.701 2.711 10 30 BFEERN C=C(C)CN(C[C@@H](O)CC)c1ccccc1 ZINC000103472828 134845830 /nfs/dbraw/zinc/84/58/30/134845830.db2.gz LZFBPFIJWZUTCX-AWEZNQCLSA-N 0 0 219.328 2.840 10 30 BFEERN C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000163845082 135208720 /nfs/dbraw/zinc/20/87/20/135208720.db2.gz NXJKQTPTOWSAPB-MRVWCRGKSA-N 0 0 248.370 2.963 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1csc(C2CC2)n1 ZINC000342785753 135318620 /nfs/dbraw/zinc/31/86/20/135318620.db2.gz SLCFTQYGPDWZRB-PWSUYJOCSA-N 0 0 247.367 2.802 10 30 BFEERN C=C1C(=O)O[C@@H]2/C=C(\C)CC/C=C(\C)C[C@H](O)[C@@H]12 ZINC000238732522 397960823 /nfs/dbraw/zinc/96/08/23/397960823.db2.gz PDEJECFRCJOMEN-WQURXQIUSA-N 0 0 248.322 2.522 10 30 BFEERN COc1ccc2c(c1)C=C(CC=O)CC2 ZINC000584626030 398079593 /nfs/dbraw/zinc/07/95/93/398079593.db2.gz DMNZKMGGNIDRGU-UHFFFAOYSA-N 0 0 202.253 2.614 10 30 BFEERN CCOC(=O)[C@@H]1C(C)=C(CC)C(=O)C[C@H]1C ZINC000584624786 398079609 /nfs/dbraw/zinc/07/96/09/398079609.db2.gz WMQYZBLUMOGYDU-PELKAZGASA-N 0 0 224.300 2.501 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1c(F)cccc1F ZINC000061891083 398107584 /nfs/dbraw/zinc/10/75/84/398107584.db2.gz STDOXWUPIPTMGJ-NOZJJQNGSA-N 0 0 236.265 2.747 10 30 BFEERN Cc1cc(CN[C@@H]2CCC[C@H]2C#N)ccc1F ZINC000061892572 398107945 /nfs/dbraw/zinc/10/79/45/398107945.db2.gz RWISAHXAESKNAM-GXTWGEPZSA-N 0 0 232.302 2.916 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccccc1F ZINC000061889332 398108007 /nfs/dbraw/zinc/10/80/07/398108007.db2.gz UDJYISUGDXJZMV-KOLCDFICSA-N 0 0 247.273 2.639 10 30 BFEERN CC(C)N[C@H](C#N)c1ccc(F)c(F)c1 ZINC000034973846 167136826 /nfs/dbraw/zinc/13/68/26/167136826.db2.gz UZHZHOJACUSCSE-LLVKDONJSA-N 0 0 210.227 2.527 10 30 BFEERN CC(C)OCCOCc1cc(C#N)ccc1F ZINC000019480477 167249220 /nfs/dbraw/zinc/24/92/20/167249220.db2.gz MFABHLOZDXZVPE-UHFFFAOYSA-N 0 0 237.274 2.639 10 30 BFEERN C[C@@H]1CCCC[C@@]1(C#N)N1CCCCC1 ZINC000037356932 409737206 /nfs/dbraw/zinc/73/72/06/409737206.db2.gz OUTNLMFUYNJVEQ-OLZOCXBDSA-N 0 0 206.333 2.945 10 30 BFEERN CCN(CC)C(=NNc1cccc(C)c1)C(C)=O ZINC000100186776 169743986 /nfs/dbraw/zinc/74/39/86/169743986.db2.gz JCUHRGQFOUQIJE-PEZBUJJGSA-N 0 0 247.342 2.651 10 30 BFEERN C#C[C@H](C)NCc1[nH]c(CCCC)nc1Cl ZINC000166428096 166216819 /nfs/dbraw/zinc/21/68/19/166216819.db2.gz MJGGPLSRCUHFDE-VIFPVBQESA-N 0 0 239.750 2.517 10 30 BFEERN C#Cc1cccc(NCc2ccc(O)cc2O)c1 ZINC000019876860 166223717 /nfs/dbraw/zinc/22/37/17/166223717.db2.gz GPVBLAWDUROQGC-UHFFFAOYSA-N 0 0 239.274 2.691 10 30 BFEERN C=CCCOCc1cc(C#N)ccc1F ZINC000034958463 166270291 /nfs/dbraw/zinc/27/02/91/166270291.db2.gz JFSURZSJSHBYCE-UHFFFAOYSA-N 0 0 205.232 2.790 10 30 BFEERN CC(C)CNc1oc(-c2ccncc2)nc1C#N ZINC000095616731 167019414 /nfs/dbraw/zinc/01/94/14/167019414.db2.gz KKGGKZKCRZNOBB-UHFFFAOYSA-N 0 0 242.282 2.676 10 30 BFEERN CC(C)N[C@@H](C#N)CCOCC1CCCCC1 ZINC000062450894 167130447 /nfs/dbraw/zinc/13/04/47/167130447.db2.gz YZZRMVSTYCKXDG-CQSZACIVSA-N 0 0 238.375 2.864 10 30 BFEERN CC(C)Oc1ccc(C#N)cc1OC1CC1 ZINC000095719574 167290032 /nfs/dbraw/zinc/29/00/32/167290032.db2.gz ZZCLXYCIKQPGJR-UHFFFAOYSA-N 0 0 217.268 2.887 10 30 BFEERN CC(C)Oc1ccc2nc(C#N)ccc2c1 ZINC000062570532 167303634 /nfs/dbraw/zinc/30/36/34/167303634.db2.gz VVLGDFWBKMUFTL-UHFFFAOYSA-N 0 0 212.252 2.894 10 30 BFEERN CC(C)Oc1cccc([C@H](C#N)N(C)C)c1 ZINC000019934947 167309135 /nfs/dbraw/zinc/30/91/35/167309135.db2.gz QRCMBWOPDNRCIW-ZDUSSCGKSA-N 0 0 218.300 2.600 10 30 BFEERN CO[C@@H]1CC[C@@H](Nc2cc(C)nc(C)c2C#N)C1 ZINC000231682101 411185433 /nfs/dbraw/zinc/18/54/33/411185433.db2.gz BKADPPVLXZFVNJ-VXGBXAGGSA-N 0 0 245.326 2.550 10 30 BFEERN CC/C(=N\O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000019514142 167820888 /nfs/dbraw/zinc/82/08/88/167820888.db2.gz HYTVGNYQAXGIAU-LTOKCNDWSA-N 0 0 249.310 2.833 10 30 BFEERN C=C[C@@H](C(=O)[O-])[N@@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000656760553 411345369 /nfs/dbraw/zinc/34/53/69/411345369.db2.gz DIZAAFZLMQHAMX-OLZOCXBDSA-N 0 0 237.343 2.528 10 30 BFEERN C=C[C@H](C(=O)[O-])[N@@H+]1CCC(C)(C)CC(C)(C)C1 ZINC000656766772 411346513 /nfs/dbraw/zinc/34/65/13/411346513.db2.gz PTVHNAPMPFEPPB-LLVKDONJSA-N 0 0 239.359 2.774 10 30 BFEERN CC1CCC(C#N)(NCC(F)(F)F)CC1 ZINC000037970985 168149100 /nfs/dbraw/zinc/14/91/00/168149100.db2.gz BPGMCVAIJLBBEE-UHFFFAOYSA-N 0 0 220.238 2.611 10 30 BFEERN CC1CCC(Oc2ccc(/C(N)=N/O)cc2)CC1 ZINC000019866210 168168306 /nfs/dbraw/zinc/16/83/06/168168306.db2.gz DNWZSFNTDCDRFY-UHFFFAOYSA-N 0 0 248.326 2.739 10 30 BFEERN CCC(C)(C)n1c(C)c(C)c(C#N)c1N ZINC000036938883 168307430 /nfs/dbraw/zinc/30/74/30/168307430.db2.gz HCUBMTLLSZFQDN-UHFFFAOYSA-N 0 0 205.305 2.704 10 30 BFEERN CCN(C[C@@H](C)C#N)c1ccc([N+](=O)[O-])cc1C ZINC000042450093 169879130 /nfs/dbraw/zinc/87/91/30/169879130.db2.gz AYUTUVUNDQNHBO-JTQLQIEISA-N 0 0 247.298 2.889 10 30 BFEERN CCN(C[C@H](C)C#N)c1ccc(C#N)cc1F ZINC000042448222 169889424 /nfs/dbraw/zinc/88/94/24/169889424.db2.gz GQSYFJJSVWTENY-SNVBAGLBSA-N 0 0 231.274 2.683 10 30 BFEERN CCNC1=CC(=O)C[C@@H](c2ccc(C)cc2)C1 ZINC000058836389 170108219 /nfs/dbraw/zinc/10/82/19/170108219.db2.gz IVMWYBPMCOITGX-ZDUSSCGKSA-N 0 0 229.323 2.935 10 30 BFEERN CCN[C@@H](C#N)c1ccccc1OC(F)(F)F ZINC000020379246 170137674 /nfs/dbraw/zinc/13/76/74/170137674.db2.gz KWDAHSHSCIEZIM-VIFPVBQESA-N 0 0 244.216 2.759 10 30 BFEERN CCN[C@@H](C#N)c1cccc(OC(C)C)c1 ZINC000020176754 170137767 /nfs/dbraw/zinc/13/77/67/170137767.db2.gz OLOCWKNKQARJTA-ZDUSSCGKSA-N 0 0 218.300 2.648 10 30 BFEERN CCNc1c(C#N)cnc2c(COC)cccc21 ZINC000050843034 170170468 /nfs/dbraw/zinc/17/04/68/170170468.db2.gz CRMQONJKTDKNQX-UHFFFAOYSA-N 0 0 241.294 2.685 10 30 BFEERN CCNc1c(C#N)cnc2c(F)ccc(C)c21 ZINC000050842281 170170846 /nfs/dbraw/zinc/17/08/46/170170846.db2.gz SWQJTXNMTBDVPE-UHFFFAOYSA-N 0 0 229.258 2.986 10 30 BFEERN CCNc1ccc(CN(CCC#N)C(C)C)cn1 ZINC000050817285 170173300 /nfs/dbraw/zinc/17/33/00/170173300.db2.gz PYTLJUNVJKYZCH-UHFFFAOYSA-N 0 0 246.358 2.637 10 30 BFEERN CCOC(=O)C=C(C)Nc1ccccc1F ZINC000100487145 170188784 /nfs/dbraw/zinc/18/87/84/170188784.db2.gz PHPVDMZLLKOYRG-ZROIWOOFSA-N 0 0 223.247 2.871 10 30 BFEERN CCOC(=O)[C@@H](C#N)C1(C)CCCCC1 ZINC000032175696 170244546 /nfs/dbraw/zinc/24/45/46/170244546.db2.gz ROHCCJIABRKISQ-SNVBAGLBSA-N 0 0 209.289 2.660 10 30 BFEERN CCOC(=O)[C@@H](C#N)c1c(F)cccc1Cl ZINC000002530102 170244662 /nfs/dbraw/zinc/24/46/62/170244662.db2.gz KIOPBGOGCNWZLD-ZETCQYMHSA-N 0 0 241.649 2.649 10 30 BFEERN CCOC(=O)c1ccc(C[C@H](C=O)CC)cc1 ZINC000039117818 170295779 /nfs/dbraw/zinc/29/57/79/170295779.db2.gz IMPTZNPZCVOIPX-LLVKDONJSA-N 0 0 234.295 2.631 10 30 BFEERN CCOc1cc(CC#N)cc(OCC)c1 ZINC000039099354 170520931 /nfs/dbraw/zinc/52/09/31/170520931.db2.gz WUHRWZXXDBFSOD-UHFFFAOYSA-N 0 0 205.257 2.550 10 30 BFEERN CCOc1cc(CO)ccc1OCCCCC#N ZINC000049578712 170523272 /nfs/dbraw/zinc/52/32/72/170523272.db2.gz ZQINLACTYFLWKY-UHFFFAOYSA-N 0 0 249.310 2.650 10 30 BFEERN CCOc1ccc([C@@H](C#N)C(=O)C2CC2)cc1 ZINC000036931432 170557504 /nfs/dbraw/zinc/55/75/04/170557504.db2.gz JGCVWLCJFYGRBQ-CYBMUJFWSA-N 0 0 229.279 2.672 10 30 BFEERN CCOc1ccccc1[C@H]1CC(=O)C=CO1 ZINC000039100372 170599584 /nfs/dbraw/zinc/59/95/84/170599584.db2.gz UYKFLVXIMIJHKK-CYBMUJFWSA-N 0 0 218.252 2.630 10 30 BFEERN CC[C@@H](C#N)Sc1ccccc1[N+](=O)[O-] ZINC000043557650 170660295 /nfs/dbraw/zinc/66/02/95/170660295.db2.gz WSIRVMQVCCKXKC-QMMMGPOBSA-N 0 0 222.269 2.989 10 30 BFEERN CC[C@@H](CC#N)Nc1ccc2c(c1)OCCO2 ZINC000036679489 170812150 /nfs/dbraw/zinc/81/21/50/170812150.db2.gz BJZJBIFEWKDYTA-JTQLQIEISA-N 0 0 232.283 2.562 10 30 BFEERN CC[C@@H]1C[C@H]1Nc1cc(C(C)=O)ccc1C#N ZINC000302085032 171142589 /nfs/dbraw/zinc/14/25/89/171142589.db2.gz DNAAAKUFKPZVJW-ZWNOBZJWSA-N 0 0 228.295 2.971 10 30 BFEERN CC[C@@H]1C[C@H]1Nc1cc(C#N)ccc1C(C)=O ZINC000302133817 171142650 /nfs/dbraw/zinc/14/26/50/171142650.db2.gz ZBHMLWGKPUEQNV-DGCLKSJQSA-N 0 0 228.295 2.971 10 30 BFEERN CC[C@@](C)(C#N)Nc1ccc(OC)cc1 ZINC000037936602 171163821 /nfs/dbraw/zinc/16/38/21/171163821.db2.gz DQRFTMLASQWMSL-LBPRGKRZSA-N 0 0 204.273 2.799 10 30 BFEERN CC[C@H](C#N)N(C)Cc1ccccc1C ZINC000043556462 171219790 /nfs/dbraw/zinc/21/97/90/171219790.db2.gz KLZACCAMLDPMRL-CYBMUJFWSA-N 0 0 202.301 2.729 10 30 BFEERN CC[C@H](C#N)Sc1nc2cc(N)ccc2[nH]1 ZINC000043554054 171220658 /nfs/dbraw/zinc/22/06/58/171220658.db2.gz VNZFNSUHOKNRIW-MRVPVSSYSA-N 0 0 232.312 2.539 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1ccc(F)c(F)c1 ZINC000038064251 171345386 /nfs/dbraw/zinc/34/53/86/171345386.db2.gz WTKXSTLTHBVNKC-UFBFGSQYSA-N 0 0 224.254 2.918 10 30 BFEERN CC[C@H](C)Nc1c(C#N)nnc2ccccc21 ZINC000041529701 171349710 /nfs/dbraw/zinc/34/97/10/171349710.db2.gz WNRDOEWWRXZZJG-VIFPVBQESA-N 0 0 226.283 2.712 10 30 BFEERN CC[C@H]1CCCN1c1ccc(C#N)cc1N ZINC000037913026 171622215 /nfs/dbraw/zinc/62/22/15/171622215.db2.gz MZAQBMLANWFREA-NSHDSACASA-N 0 0 215.300 2.519 10 30 BFEERN CC[C@H]1C[C@H]1Nc1cc(C)nc(C)c1C#N ZINC000227593782 171679735 /nfs/dbraw/zinc/67/97/35/171679735.db2.gz NCANUCULUISVTF-CMPLNLGQSA-N 0 0 215.300 2.781 10 30 BFEERN CCc1nccn1[C@H]1CCCC[C@H]1C#N ZINC000042419832 172029184 /nfs/dbraw/zinc/02/91/84/172029184.db2.gz UDHKDGGWVYRMCS-QWRGUYRKSA-N 0 0 203.289 2.700 10 30 BFEERN CCc1nccn1[C@@H]1CCCC[C@H]1C#N ZINC000042419831 172029957 /nfs/dbraw/zinc/02/99/57/172029957.db2.gz UDHKDGGWVYRMCS-WDEREUQCSA-N 0 0 203.289 2.700 10 30 BFEERN CN(C)/N=C/c1c(Cl)cccc1Cl ZINC000038283971 172351699 /nfs/dbraw/zinc/35/16/99/172351699.db2.gz BDLFIKFWSSYXMB-WUXMJOGZSA-N 0 0 217.099 2.889 10 30 BFEERN CN(C)/C=C\c1nc(C(F)(F)F)c(C#N)s1 ZINC000033337137 172352052 /nfs/dbraw/zinc/35/20/52/172352052.db2.gz BHDFFHFUQCAESY-ARJAWSKDSA-N 0 0 247.245 2.566 10 30 BFEERN CN(CC(F)(F)F)[C@@H]1CCCC[C@@H]1C#N ZINC000037664638 172630259 /nfs/dbraw/zinc/63/02/59/172630259.db2.gz FFRYXQZTBQBVPC-RKDXNWHRSA-N 0 0 220.238 2.563 10 30 BFEERN CN(Cc1ccccc1)c1ccc(N)c(C#N)c1 ZINC000082303062 172874099 /nfs/dbraw/zinc/87/40/99/172874099.db2.gz XPNBAYVPJWMEQN-UHFFFAOYSA-N 0 0 237.306 2.777 10 30 BFEERN CNc1ccc(C(F)(F)F)cc1C#N ZINC000036926883 173478464 /nfs/dbraw/zinc/47/84/64/173478464.db2.gz DABGQOTYDLUBQM-UHFFFAOYSA-N 0 0 200.163 2.619 10 30 BFEERN CNc1nc(-c2ccccc2)ccc1C#N ZINC000049814513 173484782 /nfs/dbraw/zinc/48/47/82/173484782.db2.gz DKQPFQHPARWINK-UHFFFAOYSA-N 0 0 209.252 2.662 10 30 BFEERN COCCC(=O)[C@H](C#N)c1ccccc1Cl ZINC000044268099 174139743 /nfs/dbraw/zinc/13/97/43/174139743.db2.gz PCOBNHURULGNJE-SNVBAGLBSA-N 0 0 237.686 2.553 10 30 BFEERN COCCN(c1ccccc1C#N)[C@H](C)C1CC1 ZINC000042681524 174303054 /nfs/dbraw/zinc/30/30/54/174303054.db2.gz JWQRVNJJQOCQKT-GFCCVEGCSA-N 0 0 244.338 2.810 10 30 BFEERN COC[C@@H](C)Nc1ccc(Cl)cc1C#N ZINC000052856745 174461820 /nfs/dbraw/zinc/46/18/20/174461820.db2.gz BJJCYTUUYMFPLB-MRVPVSSYSA-N 0 0 224.691 2.658 10 30 BFEERN CO[C@@]1(C(F)(F)F)C=CC=C[C@H]1CC#N ZINC000095080787 174792360 /nfs/dbraw/zinc/79/23/60/174792360.db2.gz JXQZTVJRBSOUNR-IUCAKERBSA-N 0 0 217.190 2.590 10 30 BFEERN COc1c(C#N)ccc(Cl)c1Cl ZINC000299889317 174918135 /nfs/dbraw/zinc/91/81/35/174918135.db2.gz HOSPJMNKLUPVGL-UHFFFAOYSA-N 0 0 202.040 2.874 10 30 BFEERN COc1cc(N[C@@H](C)C#N)c(OC)cc1Cl ZINC000047826400 175003087 /nfs/dbraw/zinc/00/30/87/175003087.db2.gz DHRMXNKUDWJJEC-ZETCQYMHSA-N 0 0 240.690 2.681 10 30 BFEERN COc1cc2sc(CC#N)nc2cc1F ZINC000045235869 175029322 /nfs/dbraw/zinc/02/93/22/175029322.db2.gz RDAJOHPZWCDUMY-UHFFFAOYSA-N 0 0 222.244 2.510 10 30 BFEERN COc1ccc(-c2cc(N)c(C#N)s2)cc1 ZINC000044273386 175031456 /nfs/dbraw/zinc/03/14/56/175031456.db2.gz FNZOFVHMSHNXSZ-UHFFFAOYSA-N 0 0 230.292 2.878 10 30 BFEERN COc1ccc(/N=C/c2cccnc2)cc1 ZINC000017888290 175050121 /nfs/dbraw/zinc/05/01/21/175050121.db2.gz VYCMFVIWGXDRQM-XNTDXEJSSA-N 0 0 212.252 2.841 10 30 BFEERN COc1ccc(C2CCCC(=O)C2=O)cc1 ZINC000022003504 175084205 /nfs/dbraw/zinc/08/42/05/175084205.db2.gz YZZPXYHBAFESSG-UHFFFAOYSA-N 0 0 218.252 2.717 10 30 BFEERN COc1ccc(CCC=O)c(Br)c1 ZINC000095938090 175088625 /nfs/dbraw/zinc/08/86/25/175088625.db2.gz HGEYKRVCUIUVSZ-UHFFFAOYSA-N 0 0 243.100 2.589 10 30 BFEERN COc1ccc(CN(CCC#N)C2CC2)cc1F ZINC000042549140 175097872 /nfs/dbraw/zinc/09/78/72/175097872.db2.gz JWLPSHHLNIJHQC-UHFFFAOYSA-N 0 0 248.301 2.712 10 30 BFEERN COc1ccc(Cl)c(N[C@@H](C)C#N)c1 ZINC000043515586 175118852 /nfs/dbraw/zinc/11/88/52/175118852.db2.gz BULXWPHRDJMHKC-ZETCQYMHSA-N 0 0 210.664 2.673 10 30 BFEERN COc1ccc(F)cc1CCCCC=O ZINC000098123937 175129103 /nfs/dbraw/zinc/12/91/03/175129103.db2.gz FJMPWLFGGHGIRS-UHFFFAOYSA-N 0 0 210.248 2.746 10 30 BFEERN COc1ccc(N[C@@](C)(C#N)C2CC2)cc1 ZINC000037936534 175154845 /nfs/dbraw/zinc/15/48/45/175154845.db2.gz RVTLRLFDPAIWSC-ZDUSSCGKSA-N 0 0 216.284 2.799 10 30 BFEERN COc1ccc(N[C@H]2CCC[C@@H]2C#N)cc1 ZINC000054824354 175155580 /nfs/dbraw/zinc/15/55/80/175155580.db2.gz OQCISOBEAHGDNO-MFKMUULPSA-N 0 0 216.284 2.799 10 30 BFEERN COc1ccc(Oc2ccccc2C#N)c(N)c1 ZINC000036667202 175173639 /nfs/dbraw/zinc/17/36/39/175173639.db2.gz JYOROODCOMWLQU-UHFFFAOYSA-N 0 0 240.262 2.941 10 30 BFEERN COc1ccc(Oc2ncccc2C#N)cc1 ZINC000019513379 175173763 /nfs/dbraw/zinc/17/37/63/175173763.db2.gz KZZCDTDBQHHTBS-UHFFFAOYSA-N 0 0 226.235 2.754 10 30 BFEERN COc1ccc([C@@H](C)NC[C@H](C)C#N)c(OC)c1 ZINC000054179362 175177426 /nfs/dbraw/zinc/17/74/26/175177426.db2.gz UQMQBVURFNZAJO-GHMZBOCLSA-N 0 0 248.326 2.514 10 30 BFEERN COc1ccc([C@H](C)C=O)cc1Br ZINC000036164737 175187564 /nfs/dbraw/zinc/18/75/64/175187564.db2.gz YJWSHCKMBNCPKJ-SSDOTTSWSA-N 0 0 243.100 2.760 10 30 BFEERN COc1ccc2c(c1)c(C#N)c1n2CCCC1 ZINC000082293371 175218114 /nfs/dbraw/zinc/21/81/14/175218114.db2.gz YDMWTVAQBIOVKV-UHFFFAOYSA-N 0 0 226.279 2.858 10 30 BFEERN COc1ccc2c(c1OC)CCC[C@@H]2C#N ZINC000039119117 175221903 /nfs/dbraw/zinc/22/19/03/175221903.db2.gz ZLXZKBRPXNTGHS-SECBINFHSA-N 0 0 217.268 2.647 10 30 BFEERN COc1ccc2cc(/C=N/O)ccc2c1 ZINC000057324122 175223488 /nfs/dbraw/zinc/22/34/88/175223488.db2.gz AGQKMDQKTWXGMX-MDWZMJQESA-N 0 0 201.225 2.657 10 30 BFEERN COc1ccc2[nH]c(S[C@@H](C)CC#N)nc2c1 ZINC000048247698 175228472 /nfs/dbraw/zinc/22/84/72/175228472.db2.gz IYYTUXASMKLEFS-QMMMGPOBSA-N 0 0 247.323 2.966 10 30 BFEERN COc1cccc(N[C@@H]2CCC[C@H]2C#N)c1 ZINC000054824307 175279839 /nfs/dbraw/zinc/27/98/39/175279839.db2.gz OYOONFKMBUUDNA-GXFFZTMASA-N 0 0 216.284 2.799 10 30 BFEERN COc1cccc(N[C@@](C)(C#N)C2CC2)c1 ZINC000037937759 175280003 /nfs/dbraw/zinc/28/00/03/175280003.db2.gz QSRZRMHEVDYXAQ-ZDUSSCGKSA-N 0 0 216.284 2.799 10 30 BFEERN COc1cccc(N[C@](C)(C#N)C2CC2)c1 ZINC000037937758 175280295 /nfs/dbraw/zinc/28/02/95/175280295.db2.gz QSRZRMHEVDYXAQ-CYBMUJFWSA-N 0 0 216.284 2.799 10 30 BFEERN COc1cccc2c(C#N)c(Cl)[nH]c21 ZINC000071466057 175298208 /nfs/dbraw/zinc/29/82/08/175298208.db2.gz MLOFXPFECCLRMN-UHFFFAOYSA-N 0 0 206.632 2.702 10 30 BFEERN COc1ccccc1-c1csc(CC#N)n1 ZINC000019476418 175309733 /nfs/dbraw/zinc/30/97/33/175309733.db2.gz XZSGJSBHNNVPBL-UHFFFAOYSA-N 0 0 230.292 2.885 10 30 BFEERN COc1ccccc1[C@@H](C#N)C(=O)CC1CC1 ZINC000049730701 175343461 /nfs/dbraw/zinc/34/34/61/175343461.db2.gz CXFNGBZGMCALGX-GFCCVEGCSA-N 0 0 229.279 2.672 10 30 BFEERN COc1ccccc1[C@H](C#N)C(=O)CC1CC1 ZINC000049730703 175350318 /nfs/dbraw/zinc/35/03/18/175350318.db2.gz CXFNGBZGMCALGX-LBPRGKRZSA-N 0 0 229.279 2.672 10 30 BFEERN CSc1cc(-c2ccccc2)c(C#N)c(N)n1 ZINC000082306720 175571792 /nfs/dbraw/zinc/57/17/92/175571792.db2.gz PMJHPBMMLSZZGX-UHFFFAOYSA-N 0 0 241.319 2.924 10 30 BFEERN CSc1ccc([C@H](C#N)NC(C)C)cc1 ZINC000036924619 175578192 /nfs/dbraw/zinc/57/81/92/175578192.db2.gz RCTQDCBLYUBYCU-LBPRGKRZSA-N 0 0 220.341 2.971 10 30 BFEERN C[C@@H](N[C@@H](C)C#N)c1ccc(Cl)cc1 ZINC000047826450 175598348 /nfs/dbraw/zinc/59/83/48/175598348.db2.gz YZKVSMAQZWVKEA-DTWKUNHWSA-N 0 0 208.692 2.903 10 30 BFEERN C[C@@H](Nc1cnc(C#N)cn1)c1cccs1 ZINC000070581206 175935519 /nfs/dbraw/zinc/93/55/19/175935519.db2.gz DSPMULKUPNORCX-MRVPVSSYSA-N 0 0 230.296 2.583 10 30 BFEERN C[C@@H](O)c1ccc(N(CCC#N)C2CC2)cc1 ZINC000042547512 175999104 /nfs/dbraw/zinc/99/91/04/175999104.db2.gz SCELWMULBNZPLS-LLVKDONJSA-N 0 0 230.311 2.622 10 30 BFEERN C[C@@H](S)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000095089582 176006087 /nfs/dbraw/zinc/00/60/87/176006087.db2.gz IRXUDUKFMSMBCX-SECBINFHSA-N 0 0 245.388 2.952 10 30 BFEERN C[C@@H]1CCCC[C@@H]1Nc1ncc(N)cc1C#N ZINC000037758898 176081688 /nfs/dbraw/zinc/08/16/88/176081688.db2.gz NETWILIWINXQFH-SKDRFNHKSA-N 0 0 230.315 2.526 10 30 BFEERN C[C@@H]1CS[C@H](c2ccc(C#N)cc2)O1 ZINC000039105448 176357251 /nfs/dbraw/zinc/35/72/51/176357251.db2.gz VSFZZQZBZSRIHI-LDYMZIIASA-N 0 0 205.282 2.709 10 30 BFEERN C[C@@H]1C[C@@H](S)CCN1C(=O)OC(C)(C)C ZINC000073657046 176383609 /nfs/dbraw/zinc/38/36/09/176383609.db2.gz VMYQICBYCQSTAK-BDAKNGLRSA-N 0 0 231.361 2.704 10 30 BFEERN C[C@@H]1C[C@H]1Nc1c(C#N)cnc2ccccc21 ZINC000052291450 176447489 /nfs/dbraw/zinc/44/74/89/176447489.db2.gz PPWHRBRWIOWECE-NOZJJQNGSA-N 0 0 223.279 2.927 10 30 BFEERN C[C@H](C#N)Sc1c(N)cccc1Cl ZINC000043516643 176556083 /nfs/dbraw/zinc/55/60/83/176556083.db2.gz VJDIOLKQAZOARO-ZCFIWIBFSA-N 0 0 212.705 2.926 10 30 BFEERN C[C@H]1CCCC[C@@H]1Nc1ncc(N)cc1C#N ZINC000037758899 177083733 /nfs/dbraw/zinc/08/37/33/177083733.db2.gz NETWILIWINXQFH-CABZTGNLSA-N 0 0 230.315 2.526 10 30 BFEERN C[C@H]1CCCC[C@@]1(C#N)NC1CCCC1 ZINC000037968396 177084466 /nfs/dbraw/zinc/08/44/66/177084466.db2.gz MKTCLQGECGJOKX-AAEUAGOBSA-N 0 0 206.333 2.991 10 30 BFEERN C[C@H]1CCC[C@@](C#N)(NC2CCCC2)C1 ZINC000037968408 177128012 /nfs/dbraw/zinc/12/80/12/177128012.db2.gz MTCYMHPRRPTCIL-WCQYABFASA-N 0 0 206.333 2.991 10 30 BFEERN C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1S ZINC000073654899 177222153 /nfs/dbraw/zinc/22/21/53/177222153.db2.gz JUGWHHKIXZGOAD-IUCAKERBSA-N 0 0 231.361 2.562 10 30 BFEERN C[C@H]1Cc2cc(C#Cc3cccc(N)c3)ccc2O1 ZINC000037547795 177388233 /nfs/dbraw/zinc/38/82/33/177388233.db2.gz NUIBCPBZUPABOW-LBPRGKRZSA-N 0 0 249.313 2.992 10 30 BFEERN C[C@](C#N)(Cc1ccccc1F)N1CCCC1 ZINC000041258932 177440676 /nfs/dbraw/zinc/44/06/76/177440676.db2.gz IKPLSZCQDVVJLF-CQSZACIVSA-N 0 0 232.302 2.746 10 30 BFEERN C[C@](N)(C#N)CCc1cccc(Cl)c1 ZINC000041218196 177443015 /nfs/dbraw/zinc/44/30/15/177443015.db2.gz BZVAIELAMACZEY-LLVKDONJSA-N 0 0 208.692 2.514 10 30 BFEERN Cc1c(C)n(CCC(C)C)c(N)c1C#N ZINC000036938792 177556733 /nfs/dbraw/zinc/55/67/33/177556733.db2.gz BZTVDTMWNGTYOU-UHFFFAOYSA-N 0 0 205.305 2.605 10 30 BFEERN CC1CC(C(=O)Nc2cccc(CC#N)c2)C1 ZINC000562640266 323026093 /nfs/dbraw/zinc/02/60/93/323026093.db2.gz DZDMOXQNECRRLN-UHFFFAOYSA-N 0 0 228.295 2.737 10 30 BFEERN C=C[C@H](O)c1ccc(OC)cc1C(F)(F)F ZINC000536950585 323954507 /nfs/dbraw/zinc/95/45/07/323954507.db2.gz PWXXZGATUWWQEQ-JTQLQIEISA-N 0 0 232.201 2.933 10 30 BFEERN CCC[C@@H]1C[C@@H]1NC(=O)C(C#N)(CC)CC ZINC000233302203 324072500 /nfs/dbraw/zinc/07/25/00/324072500.db2.gz DQNKDWCFCBZOHS-MNOVXSKESA-N 0 0 222.332 2.621 10 30 BFEERN C=CCOc1ccc2[nH]cc(C=O)c2c1 ZINC000147970105 488076628 /nfs/dbraw/zinc/07/66/28/488076628.db2.gz CFNKUQSVVJIVBW-UHFFFAOYSA-N 0 0 201.225 2.545 10 30 BFEERN Cc1ccc([C@@H](C)Nc2nc(C)cc(C#N)n2)o1 ZINC000231898472 491101523 /nfs/dbraw/zinc/10/15/23/491101523.db2.gz AUZQVUPQZJXSCA-SNVBAGLBSA-N 0 0 242.282 2.731 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](S)C1(C)C ZINC000757166877 582547934 /nfs/dbraw/zinc/54/79/34/582547934.db2.gz XCGPZULJCOUZSW-HTQZYQBOSA-N 0 0 231.361 2.608 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](CC#N)C1 ZINC000144077603 518837667 /nfs/dbraw/zinc/83/76/67/518837667.db2.gz VTQYAEKCJLVFBU-VHSXEESVSA-N 0 0 224.304 2.593 10 30 BFEERN C=CCCC(=O)Nc1cccc(-c2ncon2)c1 ZINC000171007914 534627376 /nfs/dbraw/zinc/62/73/76/534627376.db2.gz GOQYYWXIJOYEDC-UHFFFAOYSA-N 0 0 243.266 2.641 10 30 BFEERN C=CCCCC(=O)N1CCO[C@H]2CCCC[C@@H]21 ZINC000175370886 534650497 /nfs/dbraw/zinc/65/04/97/534650497.db2.gz VVCMZBWBGFGSGY-STQMWFEESA-N 0 0 237.343 2.513 10 30 BFEERN Cc1coc2c1C(=O)C1=C(C)CC[C@@H](O)[C@]1(C)C2 ZINC000013412520 526292017 /nfs/dbraw/zinc/29/20/17/526292017.db2.gz PFIXJSCFTAVWBW-ABAIWWIYSA-N 0 0 246.306 2.804 10 30 endogenous,in-man BFEERN OCCOc1ccc(C=Nc2ccccc2)cc1 ZINC000245239646 527558472 /nfs/dbraw/zinc/55/84/72/527558472.db2.gz LKCKQTBDHKGNFC-UHFFFAOYSA-N 0 0 241.290 2.808 10 30 BFEERN CC1(C)CCc2ccccc2[C@@H]1NCC#N ZINC000183134990 535330652 /nfs/dbraw/zinc/33/06/52/535330652.db2.gz UOIHYGDFHHCDDN-ZDUSSCGKSA-N 0 0 214.312 2.813 10 30 BFEERN CC[C@@H]1OCCC[C@@H]1C(=O)Nc1ncc(C)o1 ZINC000330302196 535931737 /nfs/dbraw/zinc/93/17/37/535931737.db2.gz JKDWJCXTGXDAOI-UWVGGRQHSA-N 0 0 238.287 2.776 10 30 BFEERN C=C(F)C1(CC(=O)OC)CCCCC1 ZINC000725259414 566306305 /nfs/dbraw/zinc/30/63/05/566306305.db2.gz ATQZZVXUXQVXOK-UHFFFAOYSA-N 0 0 200.253 2.983 10 30 BFEERN C=CCO/C=C/c1ccc(OC)c(OC)c1 ZINC000001532506 560181889 /nfs/dbraw/zinc/18/18/89/560181889.db2.gz LLOQMOYWWWKULV-VQHVLOKHSA-N 0 0 220.268 2.877 10 30 in-vitro BFEERN C=C1C(=O)O[C@@H]2C[C@@H](C)C(/C=C\C(C)=O)=CC[C@H]12 ZINC000105227203 571843071 /nfs/dbraw/zinc/84/30/71/571843071.db2.gz RBRPTFMVULVGIC-ZBXLOPFXSA-N 0 0 246.306 2.586 10 30 endogenous,in-man BFEERN COC(=O)[C@]1(Cl)OC1(CC(C)C)CC(C)C ZINC000234589487 582460433 /nfs/dbraw/zinc/46/04/33/582460433.db2.gz FMORAKVEOLRZRV-LBPRGKRZSA-N 0 0 248.750 2.956 10 30 BFEERN C=C[C@@H](C)NC(=S)NCc1ccccc1C ZINC000757133306 582509727 /nfs/dbraw/zinc/50/97/27/582509727.db2.gz HTSKVOMGDYRWNJ-LLVKDONJSA-N 0 0 234.368 2.534 10 30 BFEERN C[C@@H](S)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000757159466 582540269 /nfs/dbraw/zinc/54/02/69/582540269.db2.gz KZWQATUXFCWRDD-BDAKNGLRSA-N 0 0 231.361 2.704 10 30 BFEERN C[C@H](S)c1ccc(-n2ccnc2)cc1 ZINC000757158800 582541008 /nfs/dbraw/zinc/54/10/08/582541008.db2.gz APVLSXSYODFBAN-VIFPVBQESA-N 0 0 204.298 2.863 10 30 BFEERN CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H](S)C1 ZINC000757162878 582545570 /nfs/dbraw/zinc/54/55/70/582545570.db2.gz JKQUYICPJRPHQY-VHSXEESVSA-N 0 0 245.388 3.000 10 30 BFEERN Cc1nn(C2CCCCCC2)cc1C#N ZINC000757192533 582556995 /nfs/dbraw/zinc/55/69/95/582556995.db2.gz VOQXYMIGTADTKG-UHFFFAOYSA-N 0 0 203.289 2.959 10 30 BFEERN CC1(C)CCCN(C(=O)N[C@@H]2CCC[C@H]2C#N)C1 ZINC000335329818 583612916 /nfs/dbraw/zinc/61/29/16/583612916.db2.gz MCRYOPXCTDJITL-NWDGAFQWSA-N 0 0 249.358 2.510 10 30 BFEERN C[C@@H]1C[C@H](S)CN(C(=O)OC(C)(C)C)C1 ZINC000757159154 586430455 /nfs/dbraw/zinc/43/04/55/586430455.db2.gz GZCKIAXOQFDIIG-BDAKNGLRSA-N 0 0 231.361 2.562 10 30 BFEERN C=CCCC(=O)Oc1cc(OC)cc(OC)c1 ZINC000102219310 587818254 /nfs/dbraw/zinc/81/82/54/587818254.db2.gz BBKHTOZZCGCFKL-UHFFFAOYSA-N 0 0 236.267 2.575 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](S)C1 ZINC000218744912 592176593 /nfs/dbraw/zinc/17/65/93/592176593.db2.gz PCDOFJVVBXRUHP-RKDXNWHRSA-N 0 0 231.361 2.752 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)[C@H](C#N)c1ccccn1 ZINC000300240417 592505721 /nfs/dbraw/zinc/50/57/21/592505721.db2.gz NEILRJNZIWLIJB-GRYCIOLGSA-N 0 0 228.295 2.694 10 30 BFEERN C=C(Cl)COC(=O)[C@@H]1CCC[C@@H]1C ZINC000308271540 631235628 /nfs/dbraw/zinc/23/56/28/631235628.db2.gz SCXDAXUNMXGYHK-IONNQARKSA-N 0 0 202.681 2.718 10 30 BFEERN C=C(Cl)COC(=O)[C@@H]1CCC[C@H]1C ZINC000308271541 631237004 /nfs/dbraw/zinc/23/70/04/631237004.db2.gz SCXDAXUNMXGYHK-VXNVDRBHSA-N 0 0 202.681 2.718 10 30 BFEERN C=C(Cl)CN[C@H](C)c1c(C)nn(CC)c1C ZINC000161730826 632394215 /nfs/dbraw/zinc/39/42/15/632394215.db2.gz VSTGXCBNEPMDPC-SECBINFHSA-N 0 0 241.766 2.923 10 30 BFEERN C#CC[C@H](OC(=O)[C@H]1C[C@H]1C1CC1)C(C)C ZINC000246204278 632424990 /nfs/dbraw/zinc/42/49/90/632424990.db2.gz XJUKKNQCUGJOHA-AVGNSLFASA-N 0 0 220.312 2.624 10 30 BFEERN CCCCCCC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000225119003 640664724 /nfs/dbraw/zinc/66/47/24/640664724.db2.gz JOPVOZHNJISXNX-VXGBXAGGSA-N 0 0 222.332 2.765 10 30 BFEERN CCCCCCC[NH2+][C@H](CCC)C(=O)[O-] ZINC000059389971 640807855 /nfs/dbraw/zinc/80/78/55/640807855.db2.gz QHFPYXBDVZVOJQ-LLVKDONJSA-N 0 0 215.337 2.800 10 30 BFEERN C=CCNc1nn2cc(C(C)(C)C)nc2s1 ZINC000043535481 641566199 /nfs/dbraw/zinc/56/61/99/641566199.db2.gz YRZKAWDVMPRMKK-UHFFFAOYSA-N 0 0 236.344 2.686 10 30 BFEERN C=CCC[C@H](OC(=O)[C@H]1CC[C@@H](C)O1)C1CC1 ZINC000159646955 641692015 /nfs/dbraw/zinc/69/20/15/641692015.db2.gz VPNHYHDXGIDBOZ-KGYLQXTDSA-N 0 0 238.327 2.842 10 30 BFEERN CCCCCC(C)(C)C(=O)N[C@H](C)C#N ZINC000177621861 643448327 /nfs/dbraw/zinc/44/83/27/643448327.db2.gz YVKRDEMXYUVYLD-SNVBAGLBSA-N 0 0 210.321 2.621 10 30 BFEERN COc1ccc(CS)cc1Br ZINC000049596250 643621355 /nfs/dbraw/zinc/62/13/55/643621355.db2.gz SRBQTXLCPKHXNH-UHFFFAOYSA-N 0 0 233.130 2.888 10 30 BFEERN CC(C)(CCC#N)COC(=O)[C@@H]1C[C@@H]1C1CC1 ZINC000195039722 644359030 /nfs/dbraw/zinc/35/90/30/644359030.db2.gz FXDPCTUJXYNZIH-VXGBXAGGSA-N 0 0 235.327 2.906 10 30 BFEERN C/C(=C/N(C)C)C(=O)/C=C\c1ccccc1 ZINC000083310993 644404602 /nfs/dbraw/zinc/40/46/02/644404602.db2.gz PCHDJRQCFNATCA-BASFJDSNSA-N 0 0 215.296 2.734 10 30 BFEERN C[C@@H]1C[C@H]1Nc1nc2ccccc2cc1C#N ZINC000083686408 644405944 /nfs/dbraw/zinc/40/59/44/644405944.db2.gz PCBGFZIBWQLRGA-NOZJJQNGSA-N 0 0 223.279 2.927 10 30 BFEERN CCCC(=CC(=O)N[C@H](C)C#N)CCC ZINC000092347022 644654837 /nfs/dbraw/zinc/65/48/37/644654837.db2.gz VKPVFJXYMJKIBS-SNVBAGLBSA-N 0 0 208.305 2.541 10 30 BFEERN C=CCCCCCCNC(=O)n1ccnc1 ZINC000380756343 712902945 /nfs/dbraw/zinc/90/29/45/712902945.db2.gz VEJBLLCAQVDBJM-UHFFFAOYSA-N 0 0 221.304 2.577 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC=CCCC1 ZINC000719063837 712794481 /nfs/dbraw/zinc/79/44/81/712794481.db2.gz XXQRQXQRPCGGJP-HZSPNIEDSA-N 0 0 246.354 2.931 10 30 BFEERN C/C(=C/C(C)(C)C)C(=O)OC(C)(C)C#N ZINC000588508443 958874105 /nfs/dbraw/zinc/87/41/05/958874105.db2.gz BIVHEQGMOMIPFN-CLFYSBASSA-N 0 0 209.289 2.824 10 30 BFEERN CC(C)(C)/C=C\C(=O)OCC1(C#N)CCC1 ZINC000588478120 958729046 /nfs/dbraw/zinc/72/90/46/958729046.db2.gz UFARPAYLPAVDPK-YVMONPNESA-N 0 0 221.300 2.826 10 30 BFEERN C#C[C@H](C)NC(=O)C/C=C\c1ccc(C)cc1 ZINC000588512800 958876570 /nfs/dbraw/zinc/87/65/70/958876570.db2.gz PXRFUFRWEUUQAH-SZZPACECSA-N 0 0 227.307 2.536 10 30 BFEERN C=C[C@@H](C)OC(=O)/C=C\c1ccc([N+](=O)[O-])cc1 ZINC000588539639 959014441 /nfs/dbraw/zinc/01/44/41/959014441.db2.gz GKKYEGQAKRYEDL-ABRRARGCSA-N 0 0 247.250 2.726 10 30 BFEERN C=C[C@@H](C)OC(=O)/C=C\c1cncc(C)c1 ZINC000588539818 959018547 /nfs/dbraw/zinc/01/85/47/959018547.db2.gz UNNHXYWYOFKSNN-ISALQUGTSA-N 0 0 217.268 2.521 10 30 BFEERN C=C[C@H](C)OC(=O)/C=C\c1cncc(C)c1 ZINC000588539811 959019794 /nfs/dbraw/zinc/01/97/94/959019794.db2.gz UNNHXYWYOFKSNN-GZTOBOFZSA-N 0 0 217.268 2.521 10 30 BFEERN CC[C@@H](CC#N)OC(=O)/C=C\c1ncccc1C ZINC000588558295 959168436 /nfs/dbraw/zinc/16/84/36/959168436.db2.gz WXTAGIGIMQQJHS-DGMVEKRQSA-N 0 0 244.294 2.639 10 30 BFEERN O=C(/C=C\c1cocn1)c1ccc(F)c(F)c1 ZINC000588561465 959176183 /nfs/dbraw/zinc/17/61/83/959176183.db2.gz ZPTGGSKDHNOGOC-RQOWECAXSA-N 0 0 235.189 2.849 10 30 BFEERN C/C=C(/CC)C(=O)O[C@@H](C)C(C)(C)C#N ZINC000588570008 959258348 /nfs/dbraw/zinc/25/83/48/959258348.db2.gz NHQGNOXJIGCTSJ-LKJZUNMESA-N 0 0 209.289 2.824 10 30 BFEERN O=C(/C=C\c1cocn1)c1ccccc1F ZINC000588579249 959336214 /nfs/dbraw/zinc/33/62/14/959336214.db2.gz KTQVSRKMJWOJLW-WAYWQWQTSA-N 0 0 217.199 2.710 10 30 BFEERN C=CCCCCC[N@@H+](CC)[C@H](C)C(=O)[O-] ZINC000707960127 969031048 /nfs/dbraw/zinc/03/10/48/969031048.db2.gz IZVXHESNEKUBPB-LLVKDONJSA-N 0 0 213.321 2.528 10 30 BFEERN C#CCCCCC[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000686686277 976117036 /nfs/dbraw/zinc/11/70/36/976117036.db2.gz SHHOVMCHXCUGRY-CQSZACIVSA-N 0 0 245.322 2.596 10 30 BFEERN C=CC[C@H]1CCCC[C@H]1[NH2+]CCCCC(=O)[O-] ZINC000692241401 976407546 /nfs/dbraw/zinc/40/75/46/976407546.db2.gz UCEWBFZTXRVGFI-QWHCGFSZSA-N 0 0 239.359 2.966 10 30 BFEERN C=C[C@@H]([NH2+][C@H](C)CC1CCCCC1)C(=O)[O-] ZINC000694654769 976708629 /nfs/dbraw/zinc/70/86/29/976708629.db2.gz BTODPIMFWXWMSI-ZYHUDNBSSA-N 0 0 225.332 2.574 10 30 BFEERN C=C(C)CC[N@@H+]1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1 ZINC000715884129 977798580 /nfs/dbraw/zinc/79/85/80/977798580.db2.gz SXRDCSGVKBCTMG-TZMCWYRMSA-N 0 0 237.343 2.529 10 30 BFEERN CC(C)(C)OC(=O)C#C[C@@H]1CC12CCC2 ZINC000685954095 538898688 /nfs/dbraw/zinc/89/86/88/538898688.db2.gz SBFBNTQNZGDGKC-SNVBAGLBSA-N 0 0 206.285 2.522 10 30 BFEERN C#Cc1nc2c(cccc2F)n1CCC ZINC000685963617 538910505 /nfs/dbraw/zinc/91/05/05/538910505.db2.gz AOPFTPNSIWQPNK-UHFFFAOYSA-N 0 0 202.232 2.567 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)C1CCC=CCC1 ZINC000602116474 349445763 /nfs/dbraw/zinc/44/57/63/349445763.db2.gz NYWCOIDEFJMARF-QWHCGFSZSA-N 0 0 232.327 2.541 10 30 BFEERN O=C(/C=C/Cl)c1ccc(Cl)cn1 ZINC000575518096 398181134 /nfs/dbraw/zinc/18/11/34/398181134.db2.gz KIBOEUIAZRCHPR-ONEGZZNKSA-N 0 0 202.040 2.670 10 30 BFEERN Cc1cc(Cl)c2nc(Cl)c(C#N)n2c1 ZINC000082694125 178062170 /nfs/dbraw/zinc/06/21/70/178062170.db2.gz ZMFGTFRWFDAOGH-UHFFFAOYSA-N 0 0 226.066 2.821 10 30 BFEERN Cc1cc(Cl)c2ncc(C#N)c(N)c2c1 ZINC000050842203 178062672 /nfs/dbraw/zinc/06/26/72/178062672.db2.gz TWENOAPXSCBGNI-UHFFFAOYSA-N 0 0 217.659 2.651 10 30 BFEERN Cc1cc(N2CCC(C)(C)C2)c(C#N)c(C)n1 ZINC000157461824 178112861 /nfs/dbraw/zinc/11/28/61/178112861.db2.gz WQCQSTQUSLCAJS-UHFFFAOYSA-N 0 0 229.327 2.806 10 30 BFEERN Cc1cc(N2C[C@@H]3CCC[C@@H]3C2)c(C#N)c(C)n1 ZINC000125087355 178122529 /nfs/dbraw/zinc/12/25/29/178122529.db2.gz QWANWOKTJOQMLB-BETUJISGSA-N 0 0 241.338 2.806 10 30 BFEERN Cc1cnc([C@@H](C)Nc2cc(C)nc(C#N)c2)o1 ZINC000308271596 178187307 /nfs/dbraw/zinc/18/73/07/178187307.db2.gz AXBSDLOHWMAADD-SNVBAGLBSA-N 0 0 242.282 2.731 10 30 BFEERN Cc1cc(OCC#N)c2cccc(C)c2n1 ZINC000045928515 178208676 /nfs/dbraw/zinc/20/86/76/178208676.db2.gz KSZUVHUKQZOBKG-UHFFFAOYSA-N 0 0 212.252 2.754 10 30 BFEERN Cc1cc(OCC=O)cc(C)c1Br ZINC000019776836 178209450 /nfs/dbraw/zinc/20/94/50/178209450.db2.gz SVQKJZKPTVPEDT-UHFFFAOYSA-N 0 0 243.100 2.644 10 30 BFEERN Cc1cc(SC[C@H]2CCCO2)c(C#N)c(C)n1 ZINC000235837477 178218852 /nfs/dbraw/zinc/21/88/52/178218852.db2.gz OUCQMGHEHOWWOV-LLVKDONJSA-N 0 0 248.351 2.841 10 30 BFEERN Cc1cc([C@@H](C#N)NCC(C)C)cc(C)c1O ZINC000037939262 178220155 /nfs/dbraw/zinc/22/01/55/178220155.db2.gz JYDGWJLLVNICGC-CYBMUJFWSA-N 0 0 232.327 2.819 10 30 BFEERN Cc1cc([C@H](C#N)NCC(C)C)cc(C)c1O ZINC000037939263 178244043 /nfs/dbraw/zinc/24/40/43/178244043.db2.gz JYDGWJLLVNICGC-ZDUSSCGKSA-N 0 0 232.327 2.819 10 30 BFEERN Cc1cc([N+](=O)[O-])ccc1N(C)[C@H](C)CC#N ZINC000063096238 178271438 /nfs/dbraw/zinc/27/14/38/178271438.db2.gz ZQXOKRXTMZUDFR-SNVBAGLBSA-N 0 0 233.271 2.642 10 30 BFEERN CC#CCCn1c2ccccc2nc1[C@H](C)O ZINC000184900292 136229282 /nfs/dbraw/zinc/22/92/82/136229282.db2.gz DGYVDJPNZIENGV-NSHDSACASA-N 0 0 228.295 2.503 10 30 BFEERN Cc1ccc(C#N)c(N(CCC#N)CC(C)C)n1 ZINC000043419786 178363315 /nfs/dbraw/zinc/36/33/15/178363315.db2.gz RBROOMQSDCNVQM-UHFFFAOYSA-N 0 0 242.326 2.638 10 30 BFEERN Cc1ccc(C#N)c(N(C)Cc2ccncc2)c1 ZINC000051597721 178363605 /nfs/dbraw/zinc/36/36/05/178363605.db2.gz QEGJGAXUKNDJQZ-UHFFFAOYSA-N 0 0 237.306 2.898 10 30 BFEERN Cc1ccc(C#N)cc1N[C@H](C)c1cnn(C)c1 ZINC000050430072 178368007 /nfs/dbraw/zinc/36/80/07/178368007.db2.gz CABCBENBGGGQLK-LLVKDONJSA-N 0 0 240.310 2.773 10 30 BFEERN Cc1ccc(C#N)c(NCc2ccncc2)c1 ZINC000051578877 178364692 /nfs/dbraw/zinc/36/46/92/178364692.db2.gz WNUFOFQLBBICIK-UHFFFAOYSA-N 0 0 223.279 2.874 10 30 BFEERN Cc1ccc(C#N)c(OCCC(C)C)n1 ZINC000043400056 178366233 /nfs/dbraw/zinc/36/62/33/178366233.db2.gz KFJZNGQGYLIDTL-UHFFFAOYSA-N 0 0 204.273 2.687 10 30 BFEERN Cc1ccc(C#N)cc1NCc1ccc[nH]1 ZINC000051789750 178367022 /nfs/dbraw/zinc/36/70/22/178367022.db2.gz GCMSNSKYUPAOLB-UHFFFAOYSA-N 0 0 211.268 2.807 10 30 BFEERN COc1ccc(C#CC(F)(F)F)cc1 ZINC000034484791 538954321 /nfs/dbraw/zinc/95/43/21/538954321.db2.gz COAQVIICEASPPR-UHFFFAOYSA-N 0 0 200.159 2.609 10 30 BFEERN C[C@@H](C#N)N1CCc2sc(Cl)cc2C1 ZINC000335381329 136234727 /nfs/dbraw/zinc/23/47/27/136234727.db2.gz QZCZIWTVALDEDZ-ZETCQYMHSA-N 0 0 226.732 2.672 10 30 BFEERN C=CC(=O)C1(N(C)C(=O)OC(C)(C)C)CCC1 ZINC000405796920 538961172 /nfs/dbraw/zinc/96/11/72/538961172.db2.gz XKOGSDTVXNUREX-UHFFFAOYSA-N 0 0 239.315 2.531 10 30 BFEERN C=C(C)C(=O)CC1(NC(=O)OC(C)(C)C)CC1 ZINC000405855603 538961399 /nfs/dbraw/zinc/96/13/99/538961399.db2.gz MFRKHIBERTUSFM-UHFFFAOYSA-N 0 0 239.315 2.579 10 30 BFEERN C#CCCNc1nccc2ccsc21 ZINC000306653255 361860442 /nfs/dbraw/zinc/86/04/42/361860442.db2.gz UVQBNSLPRQISFC-UHFFFAOYSA-N 0 0 202.282 2.732 10 30 BFEERN O=C(O/N=C/c1ccccc1O)c1ccccc1 ZINC000003160048 342730999 /nfs/dbraw/zinc/73/09/99/342730999.db2.gz VEBQJAPVQDSNOV-XNTDXEJSSA-N 0 0 241.246 2.583 10 30 BFEERN Nc1ccccc1C#Cc1cccc([N+](=O)[O-])c1 ZINC000003467926 342807246 /nfs/dbraw/zinc/80/72/46/342807246.db2.gz VJPQJIISOPZBIS-UHFFFAOYSA-N 0 0 238.246 2.577 10 30 BFEERN C#Cc1cccc(NC(=O)N[C@@H](C)C(C)C)c1 ZINC000043986190 538985955 /nfs/dbraw/zinc/98/59/55/538985955.db2.gz LYHMPKROSYOHRW-NSHDSACASA-N 0 0 230.311 2.834 10 30 BFEERN CC[C@H](C#N)N[C@@H](C)c1ccccc1OC ZINC000088162746 398293804 /nfs/dbraw/zinc/29/38/04/398293804.db2.gz MVBTVFPIRLJBBX-WDEREUQCSA-N 0 0 218.300 2.648 10 30 BFEERN CN(C)/C=C1/C[C@H](C2CCC2)CCC1=O ZINC000710194560 539027829 /nfs/dbraw/zinc/02/78/29/539027829.db2.gz YJHFKXXULSYAFT-ZGSOTFDTSA-N 0 0 207.317 2.601 10 30 BFEERN C=CCCC(=O)c1ccccc1N(C)C ZINC000382687195 361975477 /nfs/dbraw/zinc/97/54/77/361975477.db2.gz GKCNXJDBRGGZGS-UHFFFAOYSA-N 0 0 203.285 2.902 10 30 BFEERN CCC[C@@H]1C[C@H]1Nc1snc(C)c1C#N ZINC000233312654 342855435 /nfs/dbraw/zinc/85/54/35/342855435.db2.gz WDMMQGZEHKCLFU-PSASIEDQSA-N 0 0 221.329 2.924 10 30 BFEERN C#C[C@@H](CC)Nc1nc(Br)cs1 ZINC000229998707 342862834 /nfs/dbraw/zinc/86/28/34/342862834.db2.gz JSDFVOVPNYCNKD-LURJTMIESA-N 0 0 245.145 2.729 10 30 BFEERN CC[C@H](C)C(=O)c1ccc(C#N)c(F)c1 ZINC000308778144 342870617 /nfs/dbraw/zinc/87/06/17/342870617.db2.gz BHBMVHXZEYSTPV-QMMMGPOBSA-N 0 0 205.232 2.926 10 30 BFEERN CC(=O)c1ccc(OC(F)(F)F)c(C#N)c1 ZINC000060041909 342885464 /nfs/dbraw/zinc/88/54/64/342885464.db2.gz BVZVIDQWQQMCCX-UHFFFAOYSA-N 0 0 229.157 2.659 10 30 BFEERN N#C[C@@H](c1cccs1)c1ccccn1 ZINC000015042106 342891005 /nfs/dbraw/zinc/89/10/05/342891005.db2.gz MQNMVUUQBIBIOF-SECBINFHSA-N 0 0 200.266 2.799 10 30 BFEERN C=C=CC(=O)c1cc2c(s1)CCCC2 ZINC000167693315 346888717 /nfs/dbraw/zinc/88/87/17/346888717.db2.gz APMALTLXICVQQC-UHFFFAOYSA-N 0 0 204.294 2.833 10 30 BFEERN C#CCC(=O)c1ccc(Br)c(C)c1 ZINC000167694620 346890757 /nfs/dbraw/zinc/89/07/57/346890757.db2.gz IOAHEBRJNMXCLR-UHFFFAOYSA-N 0 0 237.096 2.964 10 30 BFEERN C#CCC(=O)c1ccccc1C(F)(F)F ZINC000167708571 346901069 /nfs/dbraw/zinc/90/10/69/346901069.db2.gz LQNAQZJCGPMDDV-UHFFFAOYSA-N 0 0 212.170 2.911 10 30 BFEERN C=C=CC(=O)c1cc2c(s1)CCSC2 ZINC000167708219 346901245 /nfs/dbraw/zinc/90/12/45/346901245.db2.gz OVZXLMCVPBXXMR-UHFFFAOYSA-N 0 0 222.334 2.743 10 30 BFEERN C#CCC(=O)c1ccc(Br)c(F)c1 ZINC000167714467 346904506 /nfs/dbraw/zinc/90/45/06/346904506.db2.gz GBKYTPHBDCMXMK-UHFFFAOYSA-N 0 0 241.059 2.794 10 30 BFEERN C[C@@]1(C(=O)C2=CCCCO2)CCCS1 ZINC000167727086 346910539 /nfs/dbraw/zinc/91/05/39/346910539.db2.gz NRKPBPXMFTZYJK-NSHDSACASA-N 0 0 212.314 2.536 10 30 BFEERN COc1cc(-c2ccc(CC#N)cc2)sn1 ZINC000584881015 343082073 /nfs/dbraw/zinc/08/20/73/343082073.db2.gz BUKCYIJGGJMMNG-UHFFFAOYSA-N 0 0 230.292 2.885 10 30 BFEERN O=C1C(=Cc2c[nH]cn2)CCc2ccccc21 ZINC000013746655 343102823 /nfs/dbraw/zinc/10/28/23/343102823.db2.gz SEHNFQNDEFTGRO-YRNVUSSQSA-N 0 0 224.263 2.622 10 30 BFEERN CC(C)CCC#C[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000013795259 343104447 /nfs/dbraw/zinc/10/44/47/343104447.db2.gz OWZPODIBWTYIFN-VXGBXAGGSA-N 0 0 202.301 2.953 10 30 BFEERN C[Si](C)(C)C#Cc1ccc(C#CCCO)cc1 ZINC000203554048 343121976 /nfs/dbraw/zinc/12/19/76/343121976.db2.gz LCHFUGASRGCYDN-UHFFFAOYSA-N 0 0 242.394 2.649 10 30 BFEERN CC1CCC(NC(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000360081214 136268465 /nfs/dbraw/zinc/26/84/65/136268465.db2.gz DGPJXHLCRGBAMB-MVKMKZAISA-N 0 0 249.358 2.557 10 30 BFEERN C[C@@]1(c2cccc(C#N)c2)C=CC(=O)CC1 ZINC000021988573 343137128 /nfs/dbraw/zinc/13/71/28/343137128.db2.gz GJUZBFWYTYYOPJ-CQSZACIVSA-N 0 0 211.264 2.735 10 30 BFEERN CC(C)(C)c1cccc(OC[C@@H]2CO2)c1 ZINC000036969961 343143742 /nfs/dbraw/zinc/14/37/42/343143742.db2.gz BIDCSWWLNMDWEZ-GFCCVEGCSA-N 0 0 206.285 2.762 10 30 BFEERN C[C@@H](CC(=O)NC1(C#N)CCC1)C(C)(C)C ZINC000108788008 136273975 /nfs/dbraw/zinc/27/39/75/136273975.db2.gz XTCHZHZEOJPZSM-JTQLQIEISA-N 0 0 222.332 2.621 10 30 BFEERN CCOc1ccccc1/C=N\NC(C)(C)C ZINC000039098878 343383009 /nfs/dbraw/zinc/38/30/09/343383009.db2.gz AMDVZTFMHPBDAK-UVTDQMKNSA-N 0 0 220.316 2.807 10 30 BFEERN CCOc1cc(CCS)ccc1OC ZINC000039099849 343383590 /nfs/dbraw/zinc/38/35/90/343383590.db2.gz ADRRJYQSGHNFKG-UHFFFAOYSA-N 0 0 212.314 2.566 10 30 BFEERN CCC1=CC(=O)C[C@H](c2ccccc2)N1 ZINC000039100707 343383926 /nfs/dbraw/zinc/38/39/26/343383926.db2.gz NVOMKRPDROLOAM-CYBMUJFWSA-N 0 0 201.269 2.584 10 30 BFEERN N#Cc1cc(Cl)cc([N+](=O)[O-])c1Cl ZINC000060298357 343388824 /nfs/dbraw/zinc/38/88/24/343388824.db2.gz SHWJQQYDDNJBRE-UHFFFAOYSA-N 0 0 217.011 2.773 10 30 BFEERN Cc1nc[nH]c1CCCOc1ccc(C#N)cc1 ZINC000201647610 343389601 /nfs/dbraw/zinc/38/96/01/343389601.db2.gz YISFBVZDKQGSHS-UHFFFAOYSA-N 0 0 241.294 2.601 10 30 BFEERN Cc1cnc([C@@H](C)NC(=O)N2CC=C(C)CC2)o1 ZINC000329308070 136364995 /nfs/dbraw/zinc/36/49/95/136364995.db2.gz ZMTKEZCTYHNPPB-LLVKDONJSA-N 0 0 249.314 2.610 10 30 BFEERN Cc1ccc([C@H](C)NCCC#N)cc1F ZINC000087284229 343642802 /nfs/dbraw/zinc/64/28/02/343642802.db2.gz MLQGGCJMSUXOCI-JTQLQIEISA-N 0 0 206.264 2.698 10 30 BFEERN C/C=C/C(=O)c1ccc(Cl)cc1C(=O)OC ZINC000309515425 343661802 /nfs/dbraw/zinc/66/18/02/343661802.db2.gz ULEPSCKLIQFJOA-ONEGZZNKSA-N 0 0 238.670 2.885 10 30 BFEERN Cc1cccc(-c2cc(C#N)c(Cl)nn2)c1 ZINC000084019910 343711702 /nfs/dbraw/zinc/71/17/02/343711702.db2.gz SKIJHNXWVLGTGS-UHFFFAOYSA-N 0 0 229.670 2.977 10 30 BFEERN Cc1ccccc1C1CC(=O)CC(=O)C1 ZINC000206786437 343712921 /nfs/dbraw/zinc/71/29/21/343712921.db2.gz LRZNJFUAQFODNS-JTQLQIEISA-N 0 0 202.253 2.883 10 30 BFEERN O=CCCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000059829133 343713690 /nfs/dbraw/zinc/71/36/90/343713690.db2.gz JOLBBHBNIPHUID-UHFFFAOYSA-N 0 0 247.172 2.745 10 30 BFEERN N#CCCC(=O)c1cc(F)c(F)c(F)c1 ZINC000062706401 343744373 /nfs/dbraw/zinc/74/43/73/343744373.db2.gz YGSPBOWOVIYDDL-UHFFFAOYSA-N 0 0 213.158 2.590 10 30 BFEERN CN(C)[C@H](C#N)c1ccc(F)cc1Cl ZINC000234250151 343747084 /nfs/dbraw/zinc/74/70/84/343747084.db2.gz KFLUJZFLTOAEDP-SNVBAGLBSA-N 0 0 212.655 2.605 10 30 BFEERN COC(=O)[C@@H]1O[C@@]12CCC[C@H](CC(C)C)C2 ZINC000300239458 537813889 /nfs/dbraw/zinc/81/38/89/537813889.db2.gz ACFNIPRKUCMYBK-NTZNESFSSA-N 0 0 226.316 2.533 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@@]12CCC[C@H](C(C)C)C2 ZINC000300236162 537814166 /nfs/dbraw/zinc/81/41/66/537814166.db2.gz JOWIEFUXIFMCRE-WCQGTBRESA-N 0 0 246.734 2.710 10 30 BFEERN Cc1[nH]nc(C2CCCC2)c1CCC#N ZINC000409442053 343856692 /nfs/dbraw/zinc/85/66/92/343856692.db2.gz WGVZVWXMHJCAQN-UHFFFAOYSA-N 0 0 203.289 2.832 10 30 BFEERN CCOc1cncc(C#C[Si](C)(C)C)c1 ZINC000208797022 343844226 /nfs/dbraw/zinc/84/42/26/343844226.db2.gz WQMLDKDUCMGABR-UHFFFAOYSA-N 0 0 219.360 2.709 10 30 BFEERN N#CCc1cn(CCF)nc1-c1ccccc1 ZINC000409438226 343849652 /nfs/dbraw/zinc/84/96/52/343849652.db2.gz KXYJNZVCOYWMFZ-UHFFFAOYSA-N 0 0 229.258 2.586 10 30 BFEERN Cc1nc(C#Cc2ccccc2)ccc1F ZINC000585144804 343880042 /nfs/dbraw/zinc/88/00/42/343880042.db2.gz GSYRURIJTAZABO-UHFFFAOYSA-N 0 0 211.239 2.929 10 30 BFEERN N#CCc1cc(-c2ccccc2)nn1CCF ZINC000409443892 343863369 /nfs/dbraw/zinc/86/33/69/343863369.db2.gz WEAXRZLKZKOLJI-UHFFFAOYSA-N 0 0 229.258 2.586 10 30 BFEERN CC(C)Cn1nc(C(F)(F)F)cc1CC#N ZINC000409442789 343864730 /nfs/dbraw/zinc/86/47/30/343864730.db2.gz AOIKBEZVTCTDSM-UHFFFAOYSA-N 0 0 231.221 2.624 10 30 BFEERN C[C@]1(C#N)CCCN1Cc1ccccc1 ZINC000208093264 343889427 /nfs/dbraw/zinc/88/94/27/343889427.db2.gz KSDNXKKNELKONC-CYBMUJFWSA-N 0 0 200.285 2.565 10 30 BFEERN C[C@H](O)C#Cc1ccc(Cl)c(Cl)c1 ZINC000022203308 343926468 /nfs/dbraw/zinc/92/64/68/343926468.db2.gz GSGNQJWHQDHBFE-ZETCQYMHSA-N 0 0 215.079 2.726 10 30 BFEERN CC(C)Cc1ccc([C@@H](C)C(=O)N(C)O)cc1 ZINC000026181027 344128040 /nfs/dbraw/zinc/12/80/40/344128040.db2.gz LIUJRXOTKOJLOG-LLVKDONJSA-N 0 0 235.327 2.836 10 30 BFEERN CO[C@H](C#N)c1cc(F)ccc1Br ZINC000234767140 344247287 /nfs/dbraw/zinc/24/72/87/344247287.db2.gz YJUHPMJHGHCUOK-SECBINFHSA-N 0 0 244.063 2.799 10 30 BFEERN C=CC(=O)c1cc(Cl)c(N)c(Cl)c1 ZINC000135435541 344275187 /nfs/dbraw/zinc/27/51/87/344275187.db2.gz DETQFOLBVDVUFP-UHFFFAOYSA-N 0 0 216.067 2.944 10 30 BFEERN C=CCCC(=O)Nc1c(Cl)ncnc1Cl ZINC000236064118 344291477 /nfs/dbraw/zinc/29/14/77/344291477.db2.gz KDINKMMFVOTKPL-UHFFFAOYSA-N 0 0 246.097 2.688 10 30 BFEERN O=C(CCS)Nc1ccc(Cl)c(F)c1 ZINC000236143251 344301038 /nfs/dbraw/zinc/30/10/38/344301038.db2.gz NMOIPTUGAQNFPM-UHFFFAOYSA-N 0 0 233.695 2.738 10 30 BFEERN COc1ccccc1CN[C@H]1CCCC[C@@H]1C#N ZINC000054823112 344457531 /nfs/dbraw/zinc/45/75/31/344457531.db2.gz VOAYDDGIDYVGHY-OCCSQVGLSA-N 0 0 244.338 2.867 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1NCc1ccccc1F ZINC000054824089 344457630 /nfs/dbraw/zinc/45/76/30/344457630.db2.gz RCCROTOPWWREPW-SMDDNHRTSA-N 0 0 232.302 2.998 10 30 BFEERN N#Cc1cccc(CN[C@H]2CCCC[C@@H]2C#N)c1 ZINC000054825646 344472338 /nfs/dbraw/zinc/47/23/38/344472338.db2.gz UOGVERWRTWTTHQ-CABCVRRESA-N 0 0 239.322 2.730 10 30 BFEERN N#Cc1cc(NCCC2(O)CC2)ccc1Cl ZINC000381500078 344513419 /nfs/dbraw/zinc/51/34/19/344513419.db2.gz OMSUHKHDMHJXPB-UHFFFAOYSA-N 0 0 236.702 2.539 10 30 BFEERN O=CCSCc1ccc(Cl)cc1 ZINC000159114604 344533641 /nfs/dbraw/zinc/53/36/41/344533641.db2.gz FELUGQMTDCNMJS-UHFFFAOYSA-N 0 0 200.690 2.772 10 30 BFEERN N#CCc1ccc(C#N)c(OC(F)(F)F)c1 ZINC000396075697 344595654 /nfs/dbraw/zinc/59/56/54/344595654.db2.gz ISASFBOWLAXHBP-UHFFFAOYSA-N 0 0 226.157 2.523 10 30 BFEERN N#Cc1cc(C(F)(F)F)cnc1C(F)(F)F ZINC000396089528 344599061 /nfs/dbraw/zinc/59/90/61/344599061.db2.gz VPIQEOBPOYYJLB-UHFFFAOYSA-N 0 0 240.106 2.991 10 30 BFEERN N#CCc1cc(F)cc(F)c1OC(F)F ZINC000396124654 344609438 /nfs/dbraw/zinc/60/94/38/344609438.db2.gz ICAVOYPHSJUJAO-UHFFFAOYSA-N 0 0 219.137 2.632 10 30 BFEERN CN(C)c1ccc(C#N)cc1OC(F)(F)F ZINC000396123565 344609545 /nfs/dbraw/zinc/60/95/45/344609545.db2.gz XAZDUIIXJFCYCR-UHFFFAOYSA-N 0 0 230.189 2.523 10 30 BFEERN N#Cc1cc(N)c(Cl)c(OC(F)(F)F)c1 ZINC000396141509 344615925 /nfs/dbraw/zinc/61/59/25/344615925.db2.gz DWBZNRYLDYSIFW-UHFFFAOYSA-N 0 0 236.580 2.692 10 30 BFEERN N#C[C@@]1(Br)CCc2c1cccc2F ZINC000127691183 344600416 /nfs/dbraw/zinc/60/04/16/344600416.db2.gz ZGYBDYQZWJWPMS-JTQLQIEISA-N 0 0 240.075 2.886 10 30 BFEERN C=C[C@@H](NN)c1ccc(Cl)cc1Cl ZINC000158420347 344646727 /nfs/dbraw/zinc/64/67/27/344646727.db2.gz ONTVZPSWZSDKOC-SECBINFHSA-N 0 0 217.099 2.684 10 30 BFEERN CSc1sc(C#N)c(N)c1C1CC1 ZINC000235078349 344765641 /nfs/dbraw/zinc/76/56/41/344765641.db2.gz GNFPRVQEABGQRN-UHFFFAOYSA-N 0 0 210.327 2.801 10 30 BFEERN CC(C)(C)[C@H]1CCCC[C@H]1OS(C)(=O)=O ZINC000166202718 344787642 /nfs/dbraw/zinc/78/76/42/344787642.db2.gz ZGMKTHOQALOUIA-VHSXEESVSA-N 0 0 234.361 2.568 10 30 BFEERN C#C[C@@H](C)Nc1nccc(C)c1Br ZINC000235289162 344872784 /nfs/dbraw/zinc/87/27/84/344872784.db2.gz MXNZNPQDNXZHOE-MRVPVSSYSA-N 0 0 239.116 2.586 10 30 BFEERN C#C[C@H](C)N[C@H](C)c1ccc(Br)o1 ZINC000166402642 344888650 /nfs/dbraw/zinc/88/86/50/344888650.db2.gz GRAQOIYMJBJVIV-JGVFFNPUSA-N 0 0 242.116 2.714 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1cc(F)cc(F)c1 ZINC000224371116 344905223 /nfs/dbraw/zinc/90/52/23/344905223.db2.gz LJRUZWNNOZYPJX-GXFFZTMASA-N 0 0 236.265 2.747 10 30 BFEERN CN(C)c1ccc(CC#N)c(OC(F)(F)F)c1 ZINC000514263353 344908138 /nfs/dbraw/zinc/90/81/38/344908138.db2.gz QFRTWEMNJUFSTK-UHFFFAOYSA-N 0 0 244.216 2.717 10 30 BFEERN C#C[C@H](C)Nc1nccc(C)c1Br ZINC000235541507 344936437 /nfs/dbraw/zinc/93/64/37/344936437.db2.gz MXNZNPQDNXZHOE-QMMMGPOBSA-N 0 0 239.116 2.586 10 30 BFEERN N#Cc1c(Br)cccc1OC(F)F ZINC000238528545 345068467 /nfs/dbraw/zinc/06/84/67/345068467.db2.gz HEZIOFLOSYOBPM-UHFFFAOYSA-N 0 0 248.026 2.922 10 30 BFEERN N#Cc1ccnc(Cl)c1OC(F)(F)F ZINC000238521982 345068775 /nfs/dbraw/zinc/06/87/75/345068775.db2.gz UPBXCCFQVKVXJD-UHFFFAOYSA-N 0 0 222.553 2.505 10 30 BFEERN Cc1ccc(Oc2ccnc(C#N)c2)c(N)c1 ZINC000061812402 178820689 /nfs/dbraw/zinc/82/06/89/178820689.db2.gz BOIXJAGWXLJXLO-UHFFFAOYSA-N 0 0 225.251 2.636 10 30 BFEERN C[C@H](C#N)Oc1cccc(Br)c1 ZINC000011944469 345081875 /nfs/dbraw/zinc/08/18/75/345081875.db2.gz DRMNFZDLHCNANJ-SSDOTTSWSA-N 0 0 226.073 2.740 10 30 BFEERN N#CCc1cc(Br)cc(Cl)c1N ZINC000238673783 345106050 /nfs/dbraw/zinc/10/60/50/345106050.db2.gz MEGOYUYCBNLXPX-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN N#Cc1ccc(Cl)c(N)c1C(F)(F)F ZINC000307180385 345130180 /nfs/dbraw/zinc/13/01/80/345130180.db2.gz OGCRPRVELUHYDJ-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN C[C@@H]1CCC[C@@](Br)(C#N)C1 ZINC000127609168 345203184 /nfs/dbraw/zinc/20/31/84/345203184.db2.gz RTHISMPAGWLZPM-SFYZADRCSA-N 0 0 202.095 2.854 10 30 BFEERN C=CCCC(=O)c1cc(OC)cc(OC)c1 ZINC000168409299 345314748 /nfs/dbraw/zinc/31/47/48/345314748.db2.gz NCXXAMRRCSOHGZ-UHFFFAOYSA-N 0 0 220.268 2.853 10 30 BFEERN C#C[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000261507857 166213338 /nfs/dbraw/zinc/21/33/38/166213338.db2.gz MXYAPLCIFKXWOM-GHMZBOCLSA-N 0 0 223.316 2.703 10 30 BFEERN CO[C@@H](C#N)c1ccc(C)cc1Br ZINC000129812881 345262733 /nfs/dbraw/zinc/26/27/33/345262733.db2.gz PTKBFBCVCODLSH-JTQLQIEISA-N 0 0 240.100 2.969 10 30 BFEERN CCSC[C@H](C)N(C)c1ccc(C#N)cn1 ZINC000080606126 345341802 /nfs/dbraw/zinc/34/18/02/345341802.db2.gz QXOUFQONTCSLFS-JTQLQIEISA-N 0 0 235.356 2.531 10 30 BFEERN CN(C)c1c(C#N)cnc2ccc(Cl)cc21 ZINC000053994984 192088080 /nfs/dbraw/zinc/08/80/80/192088080.db2.gz GYCBCVMEKVJQHD-UHFFFAOYSA-N 0 0 231.686 2.826 10 30 BFEERN C#CC[C@@H](C)Nc1nc(Br)cs1 ZINC000228988592 345423070 /nfs/dbraw/zinc/42/30/70/345423070.db2.gz HBKRPYJXRUSUKJ-ZCFIWIBFSA-N 0 0 245.145 2.729 10 30 BFEERN O=C(C=C1C(=O)CCCC1O)c1ccccc1 ZINC000138062085 345718457 /nfs/dbraw/zinc/71/84/57/345718457.db2.gz RSEKXQMJIKZISB-UHFFFAOYSA-N 0 0 230.263 2.825 10 30 BFEERN O=C(C1=CCCCCC1)C1CCOCC1 ZINC000061671289 345810442 /nfs/dbraw/zinc/81/04/42/345810442.db2.gz DTWUQPLHIRJQSV-UHFFFAOYSA-N 0 0 208.301 2.873 10 30 BFEERN CC(=NC#N)N[C@H](C)c1ccc(C)cc1C ZINC000034279020 345820937 /nfs/dbraw/zinc/82/09/37/345820937.db2.gz BSGIQSZFQUNWOE-LLVKDONJSA-N 0 0 215.300 2.854 10 30 BFEERN N#Cc1ncccc1CCc1cccc(F)c1 ZINC000034349772 345821401 /nfs/dbraw/zinc/82/14/01/345821401.db2.gz XVAMITHMESXOEA-UHFFFAOYSA-N 0 0 226.254 2.878 10 30 BFEERN CC[C@@H](NC(C)=NC#N)c1ccc(OC)cc1 ZINC000136853603 345821736 /nfs/dbraw/zinc/82/17/36/345821736.db2.gz NRNVDSJNGICISD-CYBMUJFWSA-N 0 0 231.299 2.635 10 30 BFEERN COc1cc(/C=C/C(C)=O)ccc1OCCF ZINC000035050569 345847067 /nfs/dbraw/zinc/84/70/67/345847067.db2.gz UNGUWRSINLFCBT-ONEGZZNKSA-N 0 0 238.258 2.646 10 30 BFEERN CC1(C)OC[C@H](CC=O)[C@@H](c2ccccc2)O1 ZINC000141864513 345857065 /nfs/dbraw/zinc/85/70/65/345857065.db2.gz ZLWPKYPPQHITJE-QWHCGFSZSA-N 0 0 234.295 2.716 10 30 BFEERN C=CCCc1nc2cc(C=O)ccc2o1 ZINC000219822714 345860133 /nfs/dbraw/zinc/86/01/33/345860133.db2.gz CWEDPZLXNUSMTM-UHFFFAOYSA-N 0 0 201.225 2.759 10 30 BFEERN N#Cc1cccc(-c2ccc([N+](=O)[O-])cn2)c1 ZINC000141719463 345861047 /nfs/dbraw/zinc/86/10/47/345861047.db2.gz OCWFANGEQJFSQJ-UHFFFAOYSA-N 0 0 225.207 2.528 10 30 BFEERN CCCC(=N[C@H]1CCc2ccccc21)NC#N ZINC000034381324 345824653 /nfs/dbraw/zinc/82/46/53/345824653.db2.gz XXYMYKWCGJLLTF-ZDUSSCGKSA-N 0 0 227.311 2.943 10 30 BFEERN C#C[C@H](O)CCc1cc2ccccc2s1 ZINC000137073891 345831926 /nfs/dbraw/zinc/83/19/26/345831926.db2.gz FQDVDYXKZIOYLV-NSHDSACASA-N 0 0 216.305 2.828 10 30 BFEERN CCC/C=N/S(=O)(=O)c1ccc(C)cc1 ZINC000034428488 345832717 /nfs/dbraw/zinc/83/27/17/345832717.db2.gz LTLUFWJKMDDMIJ-FMIVXFBMSA-N 0 0 225.313 2.555 10 30 BFEERN CC(C)(C)OC(=O)N(CC=O)c1ccccc1 ZINC000034492022 345835958 /nfs/dbraw/zinc/83/59/58/345835958.db2.gz WFDSOPIDPCMTCA-UHFFFAOYSA-N 0 0 235.283 2.627 10 30 BFEERN N#Cc1ccc(-c2ccc(N)c(N)c2)c(F)c1 ZINC000143632455 345866410 /nfs/dbraw/zinc/86/64/10/345866410.db2.gz BQYVPLQQAJNJSG-UHFFFAOYSA-N 0 0 227.242 2.529 10 30 BFEERN C=CCNc1nccc(C)c1Br ZINC000235788704 345869840 /nfs/dbraw/zinc/86/98/40/345869840.db2.gz FDMJFAAECGDOGM-UHFFFAOYSA-N 0 0 227.105 2.750 10 30 BFEERN O=CCCCc1nccc(-c2ccccc2)n1 ZINC000142635374 345873053 /nfs/dbraw/zinc/87/30/53/345873053.db2.gz RGANJURAWUWTNL-UHFFFAOYSA-N 0 0 226.279 2.665 10 30 BFEERN C[C@H]1C[C@H](C(=O)NC2(C#N)CC2)CC(C)(C)C1 ZINC000181156664 345929255 /nfs/dbraw/zinc/92/92/55/345929255.db2.gz GJVIDTVKHOSYLM-QWRGUYRKSA-N 0 0 234.343 2.621 10 30 BFEERN O=CC[C@H](C1CCCCC1)n1cccn1 ZINC000144509846 345921957 /nfs/dbraw/zinc/92/19/57/345921957.db2.gz YOLCUCVMTIUDPU-GFCCVEGCSA-N 0 0 206.289 2.594 10 30 BFEERN CC(=O)c1cccnc1C#Cc1ccccc1 ZINC000146097427 345953613 /nfs/dbraw/zinc/95/36/13/345953613.db2.gz FWRONPKOJGCVJE-UHFFFAOYSA-N 0 0 221.259 2.684 10 30 BFEERN C=C(C)c1cc2c(o1)C(=O)c1occ(C)c1C2=O ZINC000000899255 290767344 /nfs/dbraw/zinc/76/73/44/290767344.db2.gz KFMPVUGBZZOSGH-UHFFFAOYSA-N 0 0 242.230 2.990 10 30 biogenic,in-vitro BFEERN N#Cc1ccc(F)cc1COC1CCC1 ZINC000236194046 346206114 /nfs/dbraw/zinc/20/61/14/346206114.db2.gz RVYYCIPYWHUNBP-UHFFFAOYSA-N 0 0 205.232 2.766 10 30 BFEERN CCOC(=O)CC1([C@H]2CO2)CCCCCC1 ZINC000675054674 537957322 /nfs/dbraw/zinc/95/73/22/537957322.db2.gz WNWVRXZXZFBYHG-LLVKDONJSA-N 0 0 226.316 2.679 10 30 BFEERN CCOC(=O)CC1([C@@H]2CO2)CCCCCC1 ZINC000675054677 537960568 /nfs/dbraw/zinc/96/05/68/537960568.db2.gz WNWVRXZXZFBYHG-NSHDSACASA-N 0 0 226.316 2.679 10 30 BFEERN O=C(C1=CCCCO1)[C@@H]1CCCCS1 ZINC000167521465 346258587 /nfs/dbraw/zinc/25/85/87/346258587.db2.gz GTTYZWNQTMICNH-JTQLQIEISA-N 0 0 212.314 2.536 10 30 BFEERN CC(C)(C)OC(=O)/C=C/c1ccc(C#N)cc1 ZINC000034444852 346283265 /nfs/dbraw/zinc/28/32/65/346283265.db2.gz ZRSOTKSRUXHKQV-CMDGGOBGSA-N 0 0 229.279 2.913 10 30 BFEERN FC(F)(F)Oc1ccccc1C[C@@H]1CO1 ZINC000148367416 537965589 /nfs/dbraw/zinc/96/55/89/537965589.db2.gz DBJOXFXVRIJQGR-MRVPVSSYSA-N 0 0 218.174 2.527 10 30 BFEERN CCOC(=O)CC1([C@H]2CO2)CCC(F)(F)CC1 ZINC000675054725 537972255 /nfs/dbraw/zinc/97/22/55/537972255.db2.gz WTKYBLOAGGOSMD-SECBINFHSA-N 0 0 248.269 2.534 10 30 BFEERN Cc1cc(C#N)cc(NCC2CC(C)(C)C2)n1 ZINC000588027155 346626125 /nfs/dbraw/zinc/62/61/25/346626125.db2.gz CWLMREOKOHTTMS-UHFFFAOYSA-N 0 0 229.327 2.532 10 30 BFEERN N#Cc1c(F)cccc1N1CC[C@@H](C(F)F)C1 ZINC000588040663 346628012 /nfs/dbraw/zinc/62/80/12/346628012.db2.gz JONANOAUYGQOQH-MRVPVSSYSA-N 0 0 240.228 2.789 10 30 BFEERN CCC[C@@H](C)/C(=N/[S@](=O)C(C)(C)C)OC ZINC000197978054 347603098 /nfs/dbraw/zinc/60/30/98/347603098.db2.gz ZENRXCZMQMNPAZ-JJHINSKMSA-N 0 0 233.377 2.930 10 30 BFEERN C=CC1CCN(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000111442348 347574890 /nfs/dbraw/zinc/57/48/90/347574890.db2.gz TUKGLKVQXQGLIQ-NSHDSACASA-N 0 0 224.348 2.639 10 30 BFEERN C[C@H](CC1CCC1)[NH2+][C@@H]1CCC[C@H]1C#N ZINC000252911213 347702618 /nfs/dbraw/zinc/70/26/18/347702618.db2.gz GLKDEDYPRDMGFV-KGYLQXTDSA-N 0 0 206.333 2.847 10 30 BFEERN Cc1ccc(O)c(C#C[Si](C)(C)C)c1 ZINC000196021702 347766110 /nfs/dbraw/zinc/76/61/10/347766110.db2.gz HSQYXLBUBHMHMH-UHFFFAOYSA-N 0 0 204.345 2.930 10 30 BFEERN Cc1nc(C#N)sc1-c1cc(N)ccc1C ZINC000669380820 537992830 /nfs/dbraw/zinc/99/28/30/537992830.db2.gz QKZIBMJAWOZYOH-UHFFFAOYSA-N 0 0 229.308 2.881 10 30 BFEERN Cc1ccccc1C[C@@H]1COCC[C@@H]1S ZINC000095090231 179290279 /nfs/dbraw/zinc/29/02/79/179290279.db2.gz YTLRIRTYWKQGOT-OLZOCXBDSA-N 0 0 222.353 2.872 10 30 BFEERN C[Si](C)(C)C#Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000196192204 347828306 /nfs/dbraw/zinc/82/83/06/347828306.db2.gz XXXRZXFZDKPNCW-UHFFFAOYSA-N 0 0 244.326 2.695 10 30 BFEERN Cc1ccccc1Oc1ncc(N)cc1C#N ZINC000037759263 179313590 /nfs/dbraw/zinc/31/35/90/179313590.db2.gz QXVRMJUREFIDNG-UHFFFAOYSA-N 0 0 225.251 2.636 10 30 BFEERN Cc1ccccc1[C@@H](C#N)N1CCCC1 ZINC000019934091 179315859 /nfs/dbraw/zinc/31/58/59/179315859.db2.gz ZCLUWJIRXJJWLR-CYBMUJFWSA-N 0 0 200.285 2.656 10 30 BFEERN Cc1ccccc1Sc1ncc(N)cc1C#N ZINC000037759455 179315941 /nfs/dbraw/zinc/31/59/41/179315941.db2.gz DFBXDVCRWBTPEK-UHFFFAOYSA-N 0 0 241.319 2.995 10 30 BFEERN CC(C)(C)COc1cccc(C#N)c1C#N ZINC000196568354 347937360 /nfs/dbraw/zinc/93/73/60/347937360.db2.gz QSCFARORRFXZGS-UHFFFAOYSA-N 0 0 214.268 2.855 10 30 BFEERN c1cc(SC[C@H]2CO2)cc2c1CCC2 ZINC000036926419 347964894 /nfs/dbraw/zinc/96/48/94/347964894.db2.gz DMGAYSBLFZWBMC-LLVKDONJSA-N 0 0 206.310 2.666 10 30 BFEERN C[C@@H](C#N)C(=O)c1ccc(Br)s1 ZINC000036935173 347964991 /nfs/dbraw/zinc/96/49/91/347964991.db2.gz VUTCZZDTUNHKAB-YFKPBYRVSA-N 0 0 244.113 2.853 10 30 BFEERN N#C[C@H]1CCC[C@@H]1Sc1ccccn1 ZINC000037155189 348025564 /nfs/dbraw/zinc/02/55/64/348025564.db2.gz ARFBZQKGWVFQFF-ZJUUUORDSA-N 0 0 204.298 2.866 10 30 BFEERN Cc1cc([N+](=O)[O-])c(C#N)cc1N1CCCCC1 ZINC000196859072 348042958 /nfs/dbraw/zinc/04/29/58/348042958.db2.gz YAEMVHKHFLUQGU-UHFFFAOYSA-N 0 0 245.282 2.765 10 30 BFEERN C=CCCCC(=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000177857179 187391113 /nfs/dbraw/zinc/39/11/13/187391113.db2.gz AQRXXKKCFIWFCE-CYBMUJFWSA-N 0 0 247.342 2.820 10 30 BFEERN Cc1nc(CN[C@@H]2CCCC[C@H]2C#N)sc1C ZINC000595688981 348314892 /nfs/dbraw/zinc/31/48/92/348314892.db2.gz JQUWLSDSZWPDDI-NWDGAFQWSA-N 0 0 249.383 2.932 10 30 BFEERN C[C@H]1CCCCN1c1nc(C#N)ccc1Cl ZINC000669382066 538002257 /nfs/dbraw/zinc/00/22/57/538002257.db2.gz FOKCZKDBSWUDPA-VIFPVBQESA-N 0 0 235.718 2.985 10 30 BFEERN CC(=O)Nc1ccc(/C=N/c2cc(C)on2)cc1 ZINC000048544987 348668341 /nfs/dbraw/zinc/66/83/41/348668341.db2.gz AAGVVIZMDIMBFZ-RIYZIHGNSA-N 0 0 243.266 2.692 10 30 BFEERN N#Cc1c(=S)[nH]c2c(c1C(F)(F)F)CCC2 ZINC000006855313 187412858 /nfs/dbraw/zinc/41/28/58/187412858.db2.gz WWWKLEKLTWAOCJ-UHFFFAOYSA-N 0 0 244.241 2.749 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1cncc(Cl)c1 ZINC000598615809 349000362 /nfs/dbraw/zinc/00/03/62/349000362.db2.gz GDZGTCRPRFOPHW-JQWIXIFHSA-N 0 0 235.718 2.517 10 30 BFEERN N#C[C@@H]1CCCC[C@@H]1NCc1cncc(Cl)c1 ZINC000598627362 349004780 /nfs/dbraw/zinc/00/47/80/349004780.db2.gz RGSLYQOYPLTOKI-AAEUAGOBSA-N 0 0 249.745 2.907 10 30 BFEERN N#Cc1cccc(CSc2ccc(N)cn2)c1 ZINC000037191692 187422892 /nfs/dbraw/zinc/42/28/92/187422892.db2.gz LIEFCNYJCUMYBU-UHFFFAOYSA-N 0 0 241.319 2.828 10 30 BFEERN N#Cc1nc(C2CCC2)oc1N1CCCCC1 ZINC000616573370 349069681 /nfs/dbraw/zinc/06/96/81/349069681.db2.gz HNELAWFYJYDMAD-UHFFFAOYSA-N 0 0 231.299 2.804 10 30 BFEERN N#CCCN(c1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000042549631 187431406 /nfs/dbraw/zinc/43/14/06/187431406.db2.gz ZKEJRYIVSDXGGM-UHFFFAOYSA-N 0 0 249.245 2.616 10 30 BFEERN C[C@H](C=O)Sc1ccc2ccccc2n1 ZINC000616573516 349071755 /nfs/dbraw/zinc/07/17/55/349071755.db2.gz SDKOEDZETYZLHE-SECBINFHSA-N 0 0 217.293 2.914 10 30 BFEERN CC(C)Cc1nc(C#N)c(N2CCCCC2)o1 ZINC000616574524 349079920 /nfs/dbraw/zinc/07/99/20/349079920.db2.gz RJNMGKVGBFWPRZ-UHFFFAOYSA-N 0 0 233.315 2.735 10 30 BFEERN C[C@@H](C=O)Sc1nc2ccccc2s1 ZINC000616571912 349061893 /nfs/dbraw/zinc/06/18/93/349061893.db2.gz INYHSSKUZXTDFR-ZETCQYMHSA-N 0 0 223.322 2.976 10 30 BFEERN O=[N+]([O-])c1ccc(-c2cc(CS)no2)cc1 ZINC000725252140 538032353 /nfs/dbraw/zinc/03/23/53/538032353.db2.gz FTMAJGUTFFKTHB-UHFFFAOYSA-N 0 0 236.252 2.680 10 30 BFEERN CC(C)(C)CC[C@H](C=O)NC(=O)OC(C)(C)C ZINC000299805582 538030623 /nfs/dbraw/zinc/03/06/23/538030623.db2.gz VWUGDJHCFAEDMX-SNVBAGLBSA-N 0 0 243.347 2.905 10 30 BFEERN CCCCCCCCOCCC(=O)OC ZINC000059082868 349202777 /nfs/dbraw/zinc/20/27/77/349202777.db2.gz HIJKSJKLOOEWOX-UHFFFAOYSA-N 0 0 216.321 2.927 10 30 BFEERN CC(C)[C@@H]1CCc2onc(CS)c2C1 ZINC000725253109 538036378 /nfs/dbraw/zinc/03/63/78/538036378.db2.gz WVQIZCVEXZYCET-MRVPVSSYSA-N 0 0 211.330 2.865 10 30 BFEERN Cc1cc(C)nc(/C=C/C(=O)c2ccccc2)n1 ZINC000616581832 349287230 /nfs/dbraw/zinc/28/72/30/349287230.db2.gz GOOPNVFHIKVMKK-CMDGGOBGSA-N 0 0 238.290 2.990 10 30 BFEERN Cc1nc(-c2cccc(C#N)c2)c(N)s1 ZINC000050308068 179866482 /nfs/dbraw/zinc/86/64/82/179866482.db2.gz HSSWCCHVXHFBRP-UHFFFAOYSA-N 0 0 215.281 2.572 10 30 BFEERN Cc1nc(C)n([C@@H]2CCCCC[C@H]2C#N)n1 ZINC000041062782 179922841 /nfs/dbraw/zinc/92/28/41/179922841.db2.gz AVHWCVKFLIYUFN-NWDGAFQWSA-N 0 0 218.304 2.540 10 30 BFEERN CC#CCOc1c(C)cc(C=O)cc1C ZINC000051663878 350020815 /nfs/dbraw/zinc/02/08/15/350020815.db2.gz PSXDBRLYDJWNDL-UHFFFAOYSA-N 0 0 202.253 2.518 10 30 BFEERN CC#CC[C@@H](O)Cc1ccc(Cl)cc1 ZINC000051664735 350021624 /nfs/dbraw/zinc/02/16/24/350021624.db2.gz IXGLOLGUFWUZFV-GFCCVEGCSA-N 0 0 208.688 2.657 10 30 BFEERN CC#CC[C@@H](O)c1ccc(Br)cc1 ZINC000051664669 350021899 /nfs/dbraw/zinc/02/18/99/350021899.db2.gz XWABZGVHUDWXFO-LLVKDONJSA-N 0 0 239.112 2.896 10 30 BFEERN Cc1ncc(C2(C#N)CCC(F)(F)CC2)cn1 ZINC000217352695 350051227 /nfs/dbraw/zinc/05/12/27/350051227.db2.gz IGCOUHSHBPYFSO-UHFFFAOYSA-N 0 0 237.253 2.756 10 30 BFEERN N#CCc1cc(Cl)c(Br)cc1O ZINC000217559154 350061801 /nfs/dbraw/zinc/06/18/01/350061801.db2.gz BTMWGXLXNABFDU-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN O=CC[C@H](O)c1cccc(Cl)c1Cl ZINC000159366787 350069029 /nfs/dbraw/zinc/06/90/29/350069029.db2.gz QHDIOZPBWORPSM-QMMMGPOBSA-N 0 0 219.067 2.616 10 30 BFEERN NC(/C=C/c1ccc2ccccc2c1)=N/O ZINC000218350686 350089348 /nfs/dbraw/zinc/08/93/48/350089348.db2.gz NXBIGAXMNVWWFA-SOFGYWHQSA-N 0 0 212.252 2.599 10 30 BFEERN Cc1nc[nH]c1CNc1cc(Cl)ccc1C#N ZINC000054794907 180122149 /nfs/dbraw/zinc/12/21/49/180122149.db2.gz CDXYXNQKQHYWJT-UHFFFAOYSA-N 0 0 246.701 2.855 10 30 BFEERN Cc1nc(C)c(C#N)c(C)c1Br ZINC000098179560 191061816 /nfs/dbraw/zinc/06/18/16/191061816.db2.gz PETCMRIYDBHIEE-UHFFFAOYSA-N 0 0 225.089 2.641 10 30 BFEERN C#Cc1ccc(CNC(=O)OC(C)(C)C)c(F)c1 ZINC000221240050 350201285 /nfs/dbraw/zinc/20/12/85/350201285.db2.gz HSRSBZYKNYMHDH-UHFFFAOYSA-N 0 0 249.285 2.832 10 30 BFEERN N#C[C@H]1CCCC[C@H]1n1cc(Cl)cn1 ZINC000038053525 350300209 /nfs/dbraw/zinc/30/02/09/350300209.db2.gz XYDSBESPPIGNTE-PSASIEDQSA-N 0 0 209.680 2.791 10 30 BFEERN C[C@@H](C#N)Nc1cccc(Br)c1 ZINC000037937580 350292893 /nfs/dbraw/zinc/29/28/93/350292893.db2.gz WOZNWHNIAFLOHW-ZETCQYMHSA-N 0 0 225.089 2.773 10 30 BFEERN Cc1nn(C)c(OC[C@@H]2CC=CC[C@H]2C)c1C#N ZINC000104319224 180359772 /nfs/dbraw/zinc/35/97/72/180359772.db2.gz NNABCDGLRCDFED-PWSUYJOCSA-N 0 0 245.326 2.581 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)CCC1CCCC1 ZINC000061888583 350532067 /nfs/dbraw/zinc/53/20/67/350532067.db2.gz MPXGDBJEUJHNSU-CHWSQXEVSA-N 0 0 234.343 2.765 10 30 BFEERN CC(C)[C@H](C)Nc1ccc(C#N)c([N+](=O)[O-])c1 ZINC000094591582 187455082 /nfs/dbraw/zinc/45/50/82/187455082.db2.gz FOYLOPIMLZNOFO-VIFPVBQESA-N 0 0 233.271 2.923 10 30 BFEERN CN[C@H](C#N)c1cc(Cl)ccc1Cl ZINC000234449959 350697913 /nfs/dbraw/zinc/69/79/13/350697913.db2.gz YLIDRBPCMYZVMH-SECBINFHSA-N 0 0 215.083 2.777 10 30 BFEERN C=C(C)CNC(=O)N[C@@H](C)c1ccccc1C ZINC000156562835 187467437 /nfs/dbraw/zinc/46/74/37/187467437.db2.gz ZJGLMKYSRHHUJD-LBPRGKRZSA-N 0 0 232.327 2.931 10 30 BFEERN CCCCOc1ccc(/C(C)=N/N)cc1 ZINC000238239137 350762643 /nfs/dbraw/zinc/76/26/43/350762643.db2.gz LOYCTJYNGWHODZ-GXDHUFHOSA-N 0 0 206.289 2.548 10 30 BFEERN CC=CC(=O)Cc1ccc(Br)o1 ZINC000306672488 350815058 /nfs/dbraw/zinc/81/50/58/350815058.db2.gz MCTLBRYSJGBOII-NSCUHMNNSA-N 0 0 229.073 2.730 10 30 BFEERN CC(=O)N1CCC[C@H](c2ccc(C#N)cc2)CC1 ZINC000616602218 350790624 /nfs/dbraw/zinc/79/06/24/350790624.db2.gz YXVSMZWUFUFGQM-AWEZNQCLSA-N 0 0 242.322 2.674 10 30 BFEERN O=C[C@H]1CCC[C@]2(CC3CCC2CC3)O1 ZINC000306682974 350839301 /nfs/dbraw/zinc/83/93/01/350839301.db2.gz UCQMEXVTSNGZDP-FIYWTHMPSA-N 0 0 208.301 2.703 10 30 BFEERN O=C[C@@H]1CCC[C@@]2(CC3CCC2CC3)O1 ZINC000306682977 350839385 /nfs/dbraw/zinc/83/93/85/350839385.db2.gz UCQMEXVTSNGZDP-TYUFSLCMSA-N 0 0 208.301 2.703 10 30 BFEERN C/C(=C\Cl)C[C@@]1(C=O)CCCOC1 ZINC000306697846 350847430 /nfs/dbraw/zinc/84/74/30/350847430.db2.gz CUFIDDKMGUDGSP-OLKPEBQYSA-N 0 0 202.681 2.515 10 30 BFEERN C=C(C(=O)c1coc(C)c1)C(F)(F)F ZINC000306708998 350856104 /nfs/dbraw/zinc/85/61/04/350856104.db2.gz OOUKEJAVWRENDC-UHFFFAOYSA-N 0 0 204.147 2.889 10 30 BFEERN COc1ccc(F)cc1/C=C(/C)C(C)=O ZINC000306729793 350899588 /nfs/dbraw/zinc/89/95/88/350899588.db2.gz DELSVTFVTVOPDG-VURMDHGXSA-N 0 0 208.232 2.827 10 30 BFEERN O=C(C1=COCC1)[C@H]1CCCC(F)(F)C1 ZINC000306733695 350903312 /nfs/dbraw/zinc/90/33/12/350903312.db2.gz UBTJHGVKINZFNU-QMMMGPOBSA-N 0 0 216.227 2.685 10 30 BFEERN Cc1cc(F)c(CC#N)c(Br)c1 ZINC000306746155 350933581 /nfs/dbraw/zinc/93/35/81/350933581.db2.gz DDCHKTBXQNTVJR-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN C=C(C)[C@H](NN)c1cc(F)ccc1Cl ZINC000306724947 350892083 /nfs/dbraw/zinc/89/20/83/350892083.db2.gz JOCACEMESUACRY-JTQLQIEISA-N 0 0 214.671 2.560 10 30 BFEERN COc1ccsc1CN[C@@H]1CCC[C@@H]1C#N ZINC000336691704 350992233 /nfs/dbraw/zinc/99/22/33/350992233.db2.gz KSPRRYQUWSOQPQ-NXEZZACHSA-N 0 0 236.340 2.539 10 30 BFEERN N#CCNc1ccc(F)c(Br)c1 ZINC000159900606 351018797 /nfs/dbraw/zinc/01/87/97/351018797.db2.gz PUIKVVJDXASASC-UHFFFAOYSA-N 0 0 229.052 2.524 10 30 BFEERN N#Cc1cccc(F)c1OC(F)(F)F ZINC000306788343 351038467 /nfs/dbraw/zinc/03/84/67/351038467.db2.gz RTZQYKIVVUBLTR-UHFFFAOYSA-N 0 0 205.110 2.596 10 30 BFEERN C=C(C)C(=O)c1c(F)ccc(F)c1OC ZINC000306795365 351042703 /nfs/dbraw/zinc/04/27/03/351042703.db2.gz GKBXRHUIQVPZNS-UHFFFAOYSA-N 0 0 212.195 2.732 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1ncccc1C#N ZINC000231662524 351047490 /nfs/dbraw/zinc/04/74/90/351047490.db2.gz YXGJUDOQZYEQES-KOLCDFICSA-N 0 0 201.273 2.554 10 30 BFEERN COC(=O)N1CCCC[C@@H]1c1cccc(C#N)c1 ZINC000616625999 351086623 /nfs/dbraw/zinc/08/66/23/351086623.db2.gz OJWGDFCKXCVJDB-CYBMUJFWSA-N 0 0 244.294 2.852 10 30 BFEERN CC(C)(C)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000616649542 351178939 /nfs/dbraw/zinc/17/89/39/351178939.db2.gz YDOXEEWDPRNFMH-AWEZNQCLSA-N 0 0 244.338 2.730 10 30 BFEERN C=CCSc1c(N)cc(N)c(Cl)c1F ZINC000306821607 351129530 /nfs/dbraw/zinc/12/95/30/351129530.db2.gz KWNJCRMURFLNSY-UHFFFAOYSA-N 0 0 232.711 2.922 10 30 BFEERN CCCCCCCC[N+](C)(C)CC(=O)[O-] ZINC000001628241 168655114 /nfs/dbraw/zinc/65/51/14/168655114.db2.gz YPUUGRMTUUCONZ-UHFFFAOYSA-O 0 0 216.345 2.508 10 30 BFEERN C=C(C)[C@H]([NH3+])c1cc(Br)oc1C ZINC000306865313 351245256 /nfs/dbraw/zinc/24/52/56/351245256.db2.gz MKFSLWQVCNVIFP-VIFPVBQESA-N 0 0 230.105 2.926 10 30 BFEERN CC[C@@H]1C[C@@H]1Nc1cc(C#N)ccc1[N+](=O)[O-] ZINC000231776811 351329539 /nfs/dbraw/zinc/32/95/39/351329539.db2.gz ZSGMRIDPGFMXHK-ZJUUUORDSA-N 0 0 231.255 2.677 10 30 BFEERN C=C[C@H](O)Cc1ccc(F)cc1Cl ZINC000306881253 351279081 /nfs/dbraw/zinc/27/90/81/351279081.db2.gz LWSVCXFHDRTANX-VIFPVBQESA-N 0 0 200.640 2.569 10 30 BFEERN C=C(Br)CNc1ncc(F)cc1F ZINC000168327243 351377623 /nfs/dbraw/zinc/37/76/23/351377623.db2.gz YVYSRYQYXCFGQO-UHFFFAOYSA-N 0 0 249.058 2.680 10 30 BFEERN C=C(Br)CNc1nc(C)cs1 ZINC000168327351 351378007 /nfs/dbraw/zinc/37/80/07/351378007.db2.gz HYLNSIUTDNFLCM-UHFFFAOYSA-N 0 0 233.134 2.772 10 30 BFEERN N#Cc1ccc2c(F)ccc(Cl)c2n1 ZINC000231838310 351392798 /nfs/dbraw/zinc/39/27/98/351392798.db2.gz AESCWHQAIOJHII-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN N#Cc1ccccc1C(=O)C(F)(F)Cl ZINC000306972144 351395597 /nfs/dbraw/zinc/39/55/97/351395597.db2.gz VNEQKOQYFCEDKU-UHFFFAOYSA-N 0 0 215.586 2.573 10 30 BFEERN N#CC[C@@H](O)c1cccc(F)c1Br ZINC000306976089 351396011 /nfs/dbraw/zinc/39/60/11/351396011.db2.gz ADLYQCYFTOZYNQ-MRVPVSSYSA-N 0 0 244.063 2.535 10 30 BFEERN CCN(c1nccc(C#N)n1)C1CCCCC1 ZINC000231895968 351442465 /nfs/dbraw/zinc/44/24/65/351442465.db2.gz NMHMKYZGJVDLAC-UHFFFAOYSA-N 0 0 230.315 2.507 10 30 BFEERN C#C[C@@](C)(CC)Oc1ncnc(Cl)c1C ZINC000307074120 351464618 /nfs/dbraw/zinc/46/46/18/351464618.db2.gz JZTZZVPZRXDDRA-NSHDSACASA-N 0 0 224.691 2.619 10 30 BFEERN Cc1cccc([C@H]2CC[C@H](C=O)O2)c1C ZINC000307162019 351526572 /nfs/dbraw/zinc/52/65/72/351526572.db2.gz HHCJWBCQMHVNMW-DGCLKSJQSA-N 0 0 204.269 2.722 10 30 BFEERN Cc1ccc([C@@H]2CC[C@@H](C=O)O2)cc1C ZINC000307163869 351529860 /nfs/dbraw/zinc/52/98/60/351529860.db2.gz MDKDGAYLMXAXJK-STQMWFEESA-N 0 0 204.269 2.722 10 30 BFEERN CO[C@@](C)(C#N)c1c(F)cccc1Cl ZINC000307183368 351580536 /nfs/dbraw/zinc/58/05/36/351580536.db2.gz XPXLPHJLNJHBHX-JTQLQIEISA-N 0 0 213.639 2.864 10 30 BFEERN Cc1cc(N)c(C#N)c(C)c1Br ZINC000232042893 351594310 /nfs/dbraw/zinc/59/43/10/351594310.db2.gz RCZDMBHJTPXCQI-UHFFFAOYSA-N 0 0 225.089 2.520 10 30 BFEERN N#CC1(CO)CC(Cc2cccc(Cl)c2)C1 ZINC000606302533 351553576 /nfs/dbraw/zinc/55/35/76/351553576.db2.gz OOMXFDSGDXDDNO-UHFFFAOYSA-N 0 0 235.714 2.795 10 30 BFEERN C[C@@H]1CC[C@H](C)[C@@]2(CC[C@@](C)(C=O)O2)C1 ZINC000307217843 351617095 /nfs/dbraw/zinc/61/70/95/351617095.db2.gz COOCBMQVPXQFOZ-MROQNXINSA-N 0 0 210.317 2.949 10 30 BFEERN C=C[C@@H](C)Nc1cc(Cl)nc(Cl)n1 ZINC000307259084 351800324 /nfs/dbraw/zinc/80/03/24/351800324.db2.gz KIOSSCBJTKRYDH-RXMQYKEDSA-N 0 0 218.087 2.770 10 30 BFEERN N#C[C@]1(Cc2sccc2Cl)CCCN1 ZINC000307288516 351855182 /nfs/dbraw/zinc/85/51/82/351855182.db2.gz CDPKERAXTHINCO-SNVBAGLBSA-N 0 0 226.732 2.590 10 30 BFEERN CCCCCCCn1c(C)ccc(C#N)c1=O ZINC000104437926 168659406 /nfs/dbraw/zinc/65/94/06/168659406.db2.gz NXQUOCUDNSZTDH-UHFFFAOYSA-N 0 0 232.327 2.999 10 30 BFEERN CC(C)CCc1ncc(C#N)c(Cl)n1 ZINC000307332281 352048127 /nfs/dbraw/zinc/04/81/27/352048127.db2.gz AEFUNQFADJNLEE-UHFFFAOYSA-N 0 0 209.680 2.590 10 30 BFEERN O=C[C@H]1CC[C@H](c2ccc(Cl)s2)O1 ZINC000307335970 352052648 /nfs/dbraw/zinc/05/26/48/352052648.db2.gz NGMAYNAAGPFZKU-RNFRBKRXSA-N 0 0 216.689 2.821 10 30 BFEERN COc1nc(C2=CC(=O)C[C@H](C)C2)cs1 ZINC000307324003 352019196 /nfs/dbraw/zinc/01/91/96/352019196.db2.gz HLBQPPBGARGAIT-SSDOTTSWSA-N 0 0 223.297 2.534 10 30 BFEERN CC[C@H](C#N)Nc1cncc(Br)c1 ZINC000300940395 363177169 /nfs/dbraw/zinc/17/71/69/363177169.db2.gz NEKICMLNEWIRHW-MRVPVSSYSA-N 0 0 240.104 2.558 10 30 BFEERN N#Cc1ccc(N)c(Cl)c1C(F)(F)F ZINC000307369562 352457569 /nfs/dbraw/zinc/45/75/69/352457569.db2.gz OSCSAJVHHBZVHZ-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN C[C@@H]1CC[C@](C=O)(Cc2cscn2)C1 ZINC000307374712 352472081 /nfs/dbraw/zinc/47/20/81/352472081.db2.gz YEAOXFGLCQNJEY-MWLCHTKSSA-N 0 0 209.314 2.691 10 30 BFEERN Cn1ccnc1S[C@H]1CCCCC[C@@H]1C#N ZINC000037154216 180754598 /nfs/dbraw/zinc/75/45/98/180754598.db2.gz UYLBWYBTPBMRAF-MNOVXSKESA-N 0 0 235.356 2.985 10 30 BFEERN COC(=O)c1c(Cl)ccc(C#N)c1Cl ZINC000307412106 352589633 /nfs/dbraw/zinc/58/96/33/352589633.db2.gz SCVVBDPEOJYMPH-UHFFFAOYSA-N 0 0 230.050 2.652 10 30 BFEERN N#CCc1c(F)cc(C(F)F)cc1F ZINC000307427484 352593335 /nfs/dbraw/zinc/59/33/35/352593335.db2.gz GUVFLEQWGMUBNV-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN C=CCNc1cccc(Br)c1N ZINC000307548237 352646623 /nfs/dbraw/zinc/64/66/23/352646623.db2.gz LZEVSWOPEJNDMN-UHFFFAOYSA-N 0 0 227.105 2.629 10 30 BFEERN C[C@@H](Nc1ccc(C#N)cc1F)[C@@H]1CCCO1 ZINC000037412630 187768880 /nfs/dbraw/zinc/76/88/80/187768880.db2.gz VNZAKPQCRLZYIA-RNCFNFMXSA-N 0 0 234.274 2.677 10 30 BFEERN N#Cc1cc(NC[C@H]2CCOC2)ccc1Cl ZINC000036973388 187769073 /nfs/dbraw/zinc/76/90/73/187769073.db2.gz QEVAPAZYXZJBMJ-SECBINFHSA-N 0 0 236.702 2.660 10 30 BFEERN C[C@H]1CCC[C@@H](Nc2ncc(N)cc2C#N)C1 ZINC000037759065 187769979 /nfs/dbraw/zinc/76/99/79/187769979.db2.gz MOXFKJTWEANEMG-JOYOIKCWSA-N 0 0 230.315 2.526 10 30 BFEERN N#Cc1cc(Cl)c(Br)cc1N ZINC000307573281 352658437 /nfs/dbraw/zinc/65/84/37/352658437.db2.gz DVBKSOOYTVGRPH-UHFFFAOYSA-N 0 0 231.480 2.556 10 30 BFEERN O=C(C=Cc1ccc(Cl)cc1)Nc1nc[nH]n1 ZINC000083306853 187778239 /nfs/dbraw/zinc/77/82/39/187778239.db2.gz MFTWOYHZFJGGAB-UTCJRWHESA-N 0 0 248.673 2.760 10 30 BFEERN CC[C@@]1(c2ccco2)CCC[C@@H](C=O)O1 ZINC000307622191 352692532 /nfs/dbraw/zinc/69/25/32/352692532.db2.gz KWVYNOKVRTVLRP-JQWIXIFHSA-N 0 0 208.257 2.653 10 30 BFEERN C=Cc1ccc(C#Cc2csc(C)n2)cn1 ZINC000013680978 187819735 /nfs/dbraw/zinc/81/97/35/187819735.db2.gz FEWYFDSOTZFXLM-UHFFFAOYSA-N 0 0 226.304 2.889 10 30 BFEERN N#C[C@]1(CCOCc2ccccc2)CCOC1 ZINC000307669380 352749529 /nfs/dbraw/zinc/74/95/29/352749529.db2.gz NCCMKHOMFBKDCP-AWEZNQCLSA-N 0 0 231.295 2.524 10 30 BFEERN C[C@]1(c2c(F)cccc2Cl)O[C@H]1C#N ZINC000307678962 352756481 /nfs/dbraw/zinc/75/64/81/352756481.db2.gz PPHDRTKABFZDLX-WPRPVWTQSA-N 0 0 211.623 2.617 10 30 BFEERN C=C([C@H](O)c1cccs1)C(F)(F)F ZINC000307693665 352966078 /nfs/dbraw/zinc/96/60/78/352966078.db2.gz XTEIVSWYIKRDDF-ZETCQYMHSA-N 0 0 208.204 2.900 10 30 BFEERN N#C[C@]1(c2ccccc2Cl)CCOC1 ZINC000238503442 323947578 /nfs/dbraw/zinc/94/75/78/323947578.db2.gz RCCBBDHKDKLDLI-LLVKDONJSA-N 0 0 207.660 2.522 10 30 BFEERN N#CC1(C(=O)Nc2ccsc2Cl)CC1 ZINC000307005450 353049559 /nfs/dbraw/zinc/04/95/59/353049559.db2.gz FGAKALQXSHCDHU-UHFFFAOYSA-N 0 0 226.688 2.644 10 30 BFEERN C[C@@]1(Cc2ccc(Cl)cc2)O[C@@H]1C#N ZINC000307743907 353122790 /nfs/dbraw/zinc/12/27/90/353122790.db2.gz NLHVGGNQNWUOIJ-MNOVXSKESA-N 0 0 207.660 2.564 10 30 BFEERN C#CC[C@@H](C)Nc1ncc(Br)s1 ZINC000307748375 353125590 /nfs/dbraw/zinc/12/55/90/353125590.db2.gz BMFBFIBFIYWKAD-ZCFIWIBFSA-N 0 0 245.145 2.729 10 30 BFEERN Cc1ccccc1[C@H]1CCC[C@H](C=O)O1 ZINC000307750729 353126221 /nfs/dbraw/zinc/12/62/21/353126221.db2.gz KXRIAQQROLKYGW-DGCLKSJQSA-N 0 0 204.269 2.804 10 30 BFEERN C#C[C@H](C)Nc1nc(Cl)nc2sccc21 ZINC000229335609 353126356 /nfs/dbraw/zinc/12/63/56/353126356.db2.gz RKRUMDFBWWGWGT-LURJTMIESA-N 0 0 237.715 2.778 10 30 BFEERN C=C(C)C(=O)c1ccoc1Br ZINC000232580305 353137893 /nfs/dbraw/zinc/13/78/93/353137893.db2.gz GTQWLODBOKIZQV-UHFFFAOYSA-N 0 0 215.046 2.801 10 30 BFEERN CC#CCNc1cc(Cl)nc(C(C)C)n1 ZINC000229322822 353120533 /nfs/dbraw/zinc/12/05/33/353120533.db2.gz FGJLMGKXYFHLBP-UHFFFAOYSA-N 0 0 223.707 2.689 10 30 BFEERN C=C(C(=O)OC)[C@@H](O)c1ccc(C(C)C)cc1 ZINC000019836153 188059086 /nfs/dbraw/zinc/05/90/86/188059086.db2.gz RCNMQHMUYBMQJX-CYBMUJFWSA-N 0 0 234.295 2.573 10 30 BFEERN C=C1CC[C@H](O)[C@@]2(C)CC[C@H](C(C)(C)O)C[C@H]12 ZINC000049021814 188086445 /nfs/dbraw/zinc/08/64/45/188086445.db2.gz MQOLOUZWNJHZLN-XFMPKHEZSA-N 0 0 238.371 2.891 10 30 BFEERN CC(=O)Nc1cccc([C@@H](C)N[C@@H](C)CC#N)c1 ZINC000037900887 188082651 /nfs/dbraw/zinc/08/26/51/188082651.db2.gz FFEBUEUJDMHHMT-WDEREUQCSA-N 0 0 245.326 2.598 10 30 BFEERN C#CCC(=O)c1cccc(C(F)(F)F)c1 ZINC000051074307 353173537 /nfs/dbraw/zinc/17/35/37/353173537.db2.gz CCVSYGDIRZXHDN-UHFFFAOYSA-N 0 0 212.170 2.911 10 30 BFEERN C#CC[C@@H](O)c1cccc(Br)c1 ZINC000051074410 353173541 /nfs/dbraw/zinc/17/35/41/353173541.db2.gz PSUDKKWCQRBNMZ-SNVBAGLBSA-N 0 0 225.085 2.506 10 30 BFEERN N#Cc1ccc(OC(F)(F)Cl)cc1 ZINC000002529889 188100873 /nfs/dbraw/zinc/10/08/73/188100873.db2.gz BADKSUZGIXYOJL-UHFFFAOYSA-N 0 0 203.575 2.726 10 30 BFEERN CCc1cc(Br)ccc1OCC#N ZINC000011834458 188104658 /nfs/dbraw/zinc/10/46/58/188104658.db2.gz BEVILGHYPAFWLB-UHFFFAOYSA-N 0 0 240.100 2.914 10 30 BFEERN CC(=O)CCc1ccc(OCCCC#N)cc1 ZINC000019426545 188107929 /nfs/dbraw/zinc/10/79/29/188107929.db2.gz OIUDLBKWKRHXAP-UHFFFAOYSA-N 0 0 231.295 2.891 10 30 BFEERN N#Cc1cccc(-c2cc(Cl)ccn2)n1 ZINC000072204190 188114782 /nfs/dbraw/zinc/11/47/82/188114782.db2.gz QZVUCBNGPIKXOS-UHFFFAOYSA-N 0 0 215.643 2.669 10 30 BFEERN CC(C)C[C@H](C)Nc1ccc(N)cc1C#N ZINC000041020791 188118576 /nfs/dbraw/zinc/11/85/76/188118576.db2.gz NITJUIWTFDIRKW-JTQLQIEISA-N 0 0 217.316 2.987 10 30 BFEERN CC(C)C[C@H](C)N(C)c1ccccc1/C(N)=N/O ZINC000042583506 188120621 /nfs/dbraw/zinc/12/06/21/188120621.db2.gz HPGRKRIUECATPZ-NSHDSACASA-N 0 0 249.358 2.652 10 30 BFEERN CCC[C@@H](C#N)C(=O)N1CCCC[C@H]1CC ZINC000044814906 188123965 /nfs/dbraw/zinc/12/39/65/188123965.db2.gz YHUCURNOYNKHDN-NWDGAFQWSA-N 0 0 222.332 2.717 10 30 BFEERN C[C@H]1C[C@H]1Nc1nc(C(F)(F)F)ccc1C#N ZINC000078835736 188136162 /nfs/dbraw/zinc/13/61/62/188136162.db2.gz HBRXHGKCQCRZTI-POYBYMJQSA-N 0 0 241.216 2.792 10 30 BFEERN C/C(=N/O)c1cccc(OCCCCC#N)c1 ZINC000049578651 188153570 /nfs/dbraw/zinc/15/35/70/188153570.db2.gz XFCJHUGKHVMLGE-PTNGSMBKSA-N 0 0 232.283 2.957 10 30 BFEERN CC(C)[C@H](N[C@H](C)C#N)c1cccs1 ZINC000050499394 188154122 /nfs/dbraw/zinc/15/41/22/188154122.db2.gz SUQKEZOJZGYBIG-KOLCDFICSA-N 0 0 208.330 2.947 10 30 BFEERN C/C(=N\O)c1ccc(OCCCCC#N)cc1 ZINC000103350897 188160775 /nfs/dbraw/zinc/16/07/75/188160775.db2.gz VTTDILWIRWBZED-RVDMUPIBSA-N 0 0 232.283 2.957 10 30 BFEERN C/C(=N\O)c1cccc(NC(=O)C(C)(C)C)c1 ZINC000019512724 188172969 /nfs/dbraw/zinc/17/29/69/188172969.db2.gz LMIMQHYMNPYTGF-OQLLNIDSSA-N 0 0 234.299 2.869 10 30 BFEERN C=C(C)CN(CCC#N)c1ccccc1 ZINC000019502929 188173026 /nfs/dbraw/zinc/17/30/26/188173026.db2.gz SMMPANPUJOXEQW-UHFFFAOYSA-N 0 0 200.285 2.983 10 30 BFEERN CC(C)COCc1ccc(C#N)cc1F ZINC000019509816 188173402 /nfs/dbraw/zinc/17/34/02/188173402.db2.gz AGIKQZWCZWGVPM-UHFFFAOYSA-N 0 0 207.248 2.870 10 30 BFEERN CC(C)c1ncc(C#N)cc1OC1CC1 ZINC000095734814 188146435 /nfs/dbraw/zinc/14/64/35/188146435.db2.gz RDMOPKNIELKRQJ-UHFFFAOYSA-N 0 0 202.257 2.618 10 30 BFEERN C#C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC ZINC000039093565 188178082 /nfs/dbraw/zinc/17/80/82/188178082.db2.gz ZBGFTPOXAWNXGV-NXEZZACHSA-N 0 0 211.305 2.559 10 30 BFEERN C=CCn1nc(-c2ccc(Cl)cc2)ccc1=O ZINC000038479441 188178542 /nfs/dbraw/zinc/17/85/42/188178542.db2.gz UAQIWASIPZXUBE-UHFFFAOYSA-N 0 0 246.697 2.750 10 30 BFEERN N#CCCCNc1cc(F)cc(F)c1F ZINC000061095342 188184396 /nfs/dbraw/zinc/18/43/96/188184396.db2.gz JQENNTMVZCFQTI-UHFFFAOYSA-N 0 0 214.190 2.820 10 30 BFEERN C=C(Cl)CNc1ccc(F)cc1OC ZINC000049567105 188218586 /nfs/dbraw/zinc/21/85/86/188218586.db2.gz LHOVPAUBDQAYMD-UHFFFAOYSA-N 0 0 215.655 2.999 10 30 BFEERN CC[C@H]1CCCC[C@@H]1N(C)c1cnc(C#N)cn1 ZINC000126991645 188221403 /nfs/dbraw/zinc/22/14/03/188221403.db2.gz QISHXMAAWBHSSC-AAEUAGOBSA-N 0 0 244.342 2.753 10 30 BFEERN C=CC(C)(C)[C@H](O)c1ccc(C#N)cc1 ZINC000075601976 188221779 /nfs/dbraw/zinc/22/17/79/188221779.db2.gz DWBMYAJEOONOPN-GFCCVEGCSA-N 0 0 201.269 2.804 10 30 BFEERN C=C[C@](C)(OCC)[C@@](C)(O)CCCC ZINC000005309856 188225125 /nfs/dbraw/zinc/22/51/25/188225125.db2.gz XOBKUCHMISOQSI-RYUDHWBXSA-N 0 0 200.322 2.909 10 30 BFEERN C#C[C@H](NC)c1cc(Cl)ccc1Cl ZINC000130031595 353339312 /nfs/dbraw/zinc/33/93/12/353339312.db2.gz MUBLGLVCJMXEES-JTQLQIEISA-N 0 0 214.095 2.887 10 30 BFEERN C[C@@H](NCC#N)c1ccc(F)c(Cl)c1 ZINC000180720753 353406685 /nfs/dbraw/zinc/40/66/85/353406685.db2.gz GXAQNQUBAQDTFD-SSDOTTSWSA-N 0 0 212.655 2.653 10 30 BFEERN C=CCNC(=O)N[C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182412786 353475352 /nfs/dbraw/zinc/47/53/52/353475352.db2.gz WDDHMSQOYYHSTH-BXUZGUMPSA-N 0 0 244.338 2.714 10 30 BFEERN C=CC(=O)Cc1ccc(Br)cc1 ZINC000002579466 188456377 /nfs/dbraw/zinc/45/63/77/188456377.db2.gz YJFZHXVDZYYRPZ-UHFFFAOYSA-N 0 0 225.085 2.747 10 30 BFEERN Cc1c(C)c(OCC=O)ccc1Br ZINC000019776838 188461606 /nfs/dbraw/zinc/46/16/06/188461606.db2.gz UTFCEDPKFJMAIF-UHFFFAOYSA-N 0 0 243.100 2.644 10 30 BFEERN CC(C)C[C@@H](C)Nc1ccc(N)cc1C#N ZINC000041020788 188475254 /nfs/dbraw/zinc/47/52/54/188475254.db2.gz NITJUIWTFDIRKW-SNVBAGLBSA-N 0 0 217.316 2.987 10 30 BFEERN CC(=O)Nc1sc2ccccc2c1C#N ZINC000144981443 188499865 /nfs/dbraw/zinc/49/98/65/188499865.db2.gz RWABYXVDJUFVQY-UHFFFAOYSA-N 0 0 216.265 2.731 10 30 BFEERN N#CC1(c2cccc(N)c2)CCCCC1 ZINC000039111308 181031183 /nfs/dbraw/zinc/03/11/83/181031183.db2.gz MNUQZTMZESOCIM-UHFFFAOYSA-N 0 0 200.285 2.994 10 30 BFEERN N#CCCN(C(=O)Nc1ccccc1F)C1CC1 ZINC000042249051 181037094 /nfs/dbraw/zinc/03/70/94/181037094.db2.gz ISHVXTBYUBITFZ-UHFFFAOYSA-N 0 0 247.273 2.736 10 30 BFEERN N#CCCN(C1CC1)[C@H]1CCCCC[C@H]1C#N ZINC000042531128 181037374 /nfs/dbraw/zinc/03/73/74/181037374.db2.gz ZKDPEYUTSNSQCN-JSGCOSHPSA-N 0 0 231.343 2.837 10 30 BFEERN N#CCNc1ccc(F)cc1Br ZINC000020430855 181043381 /nfs/dbraw/zinc/04/33/81/181043381.db2.gz IGPADICFXQZKDE-UHFFFAOYSA-N 0 0 229.052 2.524 10 30 BFEERN N#CC[C@H](C(=O)c1ccccn1)c1ccccc1 ZINC000055026253 181046078 /nfs/dbraw/zinc/04/60/78/181046078.db2.gz UNWFQJHJWXEKRK-ZDUSSCGKSA-N 0 0 236.274 2.962 10 30 BFEERN C#C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)CC ZINC000039093567 188536468 /nfs/dbraw/zinc/53/64/68/188536468.db2.gz ZBGFTPOXAWNXGV-VHSXEESVSA-N 0 0 211.305 2.559 10 30 BFEERN N#CCc1nc2cc(Br)ccc2o1 ZINC000082330756 181049511 /nfs/dbraw/zinc/04/95/11/181049511.db2.gz YEKKLPWAZGAGKQ-UHFFFAOYSA-N 0 0 237.056 2.656 10 30 BFEERN N#CCc1nc2ccccc2n1C/C=C/Cl ZINC000104345560 181049619 /nfs/dbraw/zinc/04/96/19/181049619.db2.gz IBTRNYHJOYBDFW-XVNBXDOJSA-N 0 0 231.686 2.855 10 30 BFEERN N#C[C@@H](C(=O)c1ccncc1)c1ccccc1 ZINC000005486120 181054035 /nfs/dbraw/zinc/05/40/35/181054035.db2.gz LEGNMYSJXBLEAG-CYBMUJFWSA-N 0 0 222.247 2.572 10 30 BFEERN N#C[C@@H](C(=O)c1cccnc1)c1ccccc1F ZINC000049671702 181054132 /nfs/dbraw/zinc/05/41/32/181054132.db2.gz KOKJKIYLQDWCHN-GFCCVEGCSA-N 0 0 240.237 2.711 10 30 BFEERN N#C[C@@H](Nc1ccc(Cl)cc1)[C@@H]1CCOC1 ZINC000037936020 181057452 /nfs/dbraw/zinc/05/74/52/181057452.db2.gz JRCBSRFFNCQCLA-BXKDBHETSA-N 0 0 236.702 2.681 10 30 BFEERN N#CCc1cc(Cl)c2c(c1)CCCO2 ZINC000095938928 181047906 /nfs/dbraw/zinc/04/79/06/181047906.db2.gz OGCYQIBWMPUKDV-UHFFFAOYSA-N 0 0 207.660 2.731 10 30 BFEERN N#C[C@H](N)CSc1ccc2ccccc2c1 ZINC000045365772 181064832 /nfs/dbraw/zinc/06/48/32/181064832.db2.gz NTVRKUZNAJGRDW-LBPRGKRZSA-N 0 0 228.320 2.783 10 30 BFEERN N#C[C@H](NC1CCCC1)c1cccc(F)c1 ZINC000037968376 181066125 /nfs/dbraw/zinc/06/61/25/181066125.db2.gz NFCGUOLBEFIUOU-ZDUSSCGKSA-N 0 0 218.275 2.923 10 30 BFEERN N#C[C@H](c1c(F)cccc1F)N1CCCC1 ZINC000037355604 181066671 /nfs/dbraw/zinc/06/66/71/181066671.db2.gz UCRDPMQKRFAXNI-LLVKDONJSA-N 0 0 222.238 2.625 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1cccc(F)c1F ZINC000104241326 181060124 /nfs/dbraw/zinc/06/01/24/181060124.db2.gz AJPBSGACZZJXAL-CABZTGNLSA-N 0 0 236.265 2.747 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)Nc1ccccc1 ZINC000061889329 181060243 /nfs/dbraw/zinc/06/02/43/181060243.db2.gz PHBIUSBTFWOIFB-CMPLNLGQSA-N 0 0 229.283 2.500 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1cccc(F)c1 ZINC000054824655 181060751 /nfs/dbraw/zinc/06/07/51/181060751.db2.gz OSXQIJJGHJFTGB-WCQYABFASA-N 0 0 218.275 2.608 10 30 BFEERN N#C[C@@]1(NCc2cccs2)CCCSC1 ZINC000061590373 181062872 /nfs/dbraw/zinc/06/28/72/181062872.db2.gz YALBCJUSISIAQI-NSHDSACASA-N 0 0 238.381 2.627 10 30 BFEERN N#C[C@@]1(c2ccc(Cl)cc2)CCOC1 ZINC000087493417 181063007 /nfs/dbraw/zinc/06/30/07/181063007.db2.gz OWPDMALZXSUTKT-NSHDSACASA-N 0 0 207.660 2.522 10 30 BFEERN N#C[C@H]1CCC[C@@H]1Nc1ccccc1F ZINC000054824048 181068746 /nfs/dbraw/zinc/06/87/46/181068746.db2.gz JXSRXQUWPHVPQE-KOLCDFICSA-N 0 0 204.248 2.930 10 30 BFEERN N#C[C@H]1CCC[C@@H]1Sc1nnc2ccccn21 ZINC000061406594 181069086 /nfs/dbraw/zinc/06/90/86/181069086.db2.gz URAZXYVQKMZDGB-ZJUUUORDSA-N 0 0 244.323 2.514 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1cccc(F)c1F ZINC000104241315 181070296 /nfs/dbraw/zinc/07/02/96/181070296.db2.gz AJPBSGACZZJXAL-BXKDBHETSA-N 0 0 236.265 2.747 10 30 BFEERN N#Cc1c(F)c(F)c(F)c(F)c1Cl ZINC000021304486 181075165 /nfs/dbraw/zinc/07/51/65/181075165.db2.gz DHLZPRHUUULMTP-UHFFFAOYSA-N 0 0 209.529 2.768 10 30 BFEERN N#Cc1cc(-c2ccccc2C=O)ccc1O ZINC000065341307 181081534 /nfs/dbraw/zinc/08/15/34/181081534.db2.gz KCSGXUKPCCMNJX-UHFFFAOYSA-N 0 0 223.231 2.743 10 30 BFEERN N#Cc1cc(-c2ccccc2O)ccc1O ZINC000065341287 181081548 /nfs/dbraw/zinc/08/15/48/181081548.db2.gz JVGQYSNTQLRMTR-UHFFFAOYSA-N 0 0 211.220 2.636 10 30 BFEERN N#Cc1cc(Br)cc2c1NCCC2 ZINC000076188335 181081618 /nfs/dbraw/zinc/08/16/18/181081618.db2.gz JARMAFANPNQQLH-UHFFFAOYSA-N 0 0 237.100 2.679 10 30 BFEERN N#Cc1c(F)cccc1N[C@@H]1CCC[C@@H]1C#N ZINC000054825341 181076249 /nfs/dbraw/zinc/07/62/49/181076249.db2.gz YMMWNNVTMCWOOL-BXKDBHETSA-N 0 0 229.258 2.802 10 30 BFEERN N#Cc1c(F)cccc1NCc1ccc[nH]1 ZINC000051788242 181076394 /nfs/dbraw/zinc/07/63/94/181076394.db2.gz KKOUPOYXQKLCJT-UHFFFAOYSA-N 0 0 215.231 2.638 10 30 BFEERN N#Cc1cc(C#N)c(-c2ccccc2)cc1C#N ZINC000082295989 181082536 /nfs/dbraw/zinc/08/25/36/181082536.db2.gz KFLDELCJHPDWFU-UHFFFAOYSA-N 0 0 229.242 2.969 10 30 BFEERN N#Cc1cc(C(=O)C2CC2)ccc1Cl ZINC000032010601 181082973 /nfs/dbraw/zinc/08/29/73/181082973.db2.gz VHGJHTXHIFTJSL-UHFFFAOYSA-N 0 0 205.644 2.804 10 30 BFEERN C=C1CCC[C@]2(C)C[C@]3(O)OC(=O)C(C)=C3C[C@H]12 ZINC000005373271 188584498 /nfs/dbraw/zinc/58/44/98/188584498.db2.gz FBMORZZOJSDNRQ-DFBGVHRSSA-N 0 0 248.322 2.705 10 30 biogenic,in-vitro BFEERN N#Cc1cc(Cl)cc(C(F)(F)F)c1N ZINC000015443866 181086473 /nfs/dbraw/zinc/08/64/73/181086473.db2.gz APBLBZKGAATRCZ-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN N#Cc1cc2nc(-c3ccccc3)[nH]c2cc1C#N ZINC000021999546 181094202 /nfs/dbraw/zinc/09/42/02/181094202.db2.gz HCPMWHDOUZIHNI-UHFFFAOYSA-N 0 0 244.257 2.973 10 30 BFEERN N#Cc1cc2nccc(Cl)c2cc1F ZINC000238544896 181094212 /nfs/dbraw/zinc/09/42/12/181094212.db2.gz AEBUOGOMXOCMTH-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN N#Cc1cc(N)ccc1OCC1CCCC1 ZINC000048732272 181088966 /nfs/dbraw/zinc/08/89/66/181088966.db2.gz JCOBULGJRYRZNC-UHFFFAOYSA-N 0 0 216.284 2.709 10 30 BFEERN N#Cc1ccc(-c2cnc3ccccn32)cc1 ZINC000091691893 181095985 /nfs/dbraw/zinc/09/59/85/181095985.db2.gz KMLHPZYUFMGBJR-UHFFFAOYSA-N 0 0 219.247 2.873 10 30 BFEERN N#Cc1cc(O)cc(-c2cccs2)c1 ZINC000065341271 181091815 /nfs/dbraw/zinc/09/18/15/181091815.db2.gz IOIOKJOOIVLWOC-UHFFFAOYSA-N 0 0 201.250 2.992 10 30 BFEERN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2C#N)cc1 ZINC000054825633 181109119 /nfs/dbraw/zinc/10/91/19/181109119.db2.gz LLCHSJSTEGGLAP-HUUCEWRRSA-N 0 0 239.322 2.730 10 30 BFEERN N#Cc1ccc(NCC(F)F)cc1Cl ZINC000037755860 181119969 /nfs/dbraw/zinc/11/99/69/181119969.db2.gz HMHVBBIAFPOFHU-UHFFFAOYSA-N 0 0 216.618 2.889 10 30 BFEERN N#Cc1ccc(NC2CCSCC2)cc1 ZINC000035651953 181118998 /nfs/dbraw/zinc/11/89/98/181118998.db2.gz CSJFMINDGSGKPA-UHFFFAOYSA-N 0 0 218.325 2.866 10 30 BFEERN N#Cc1ccc(NC2(CO)CCCCC2)c(F)c1 ZINC000053096340 181119276 /nfs/dbraw/zinc/11/92/76/181119276.db2.gz JCNVUKKOMVLTIM-UHFFFAOYSA-N 0 0 248.301 2.804 10 30 BFEERN N#Cc1ccc(NC(=O)c2cccc(O)c2)cc1 ZINC000019477116 181119653 /nfs/dbraw/zinc/11/96/53/181119653.db2.gz YCOSSFZOWQVXCR-UHFFFAOYSA-N 0 0 238.246 2.516 10 30 BFEERN N#Cc1ccc(NCc2cc[nH]n2)c(Cl)c1 ZINC000062791040 181123548 /nfs/dbraw/zinc/12/35/48/181123548.db2.gz SPOWYUIZAPXNBV-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN CC1(C)CC([C@@H]2C[C@@H]2C=O)CC(C)(C)O1 ZINC000521401455 259455135 /nfs/dbraw/zinc/45/51/35/259455135.db2.gz YOCDZAFGWFJUHU-MWLCHTKSSA-N 0 0 210.317 2.805 10 30 BFEERN N#Cc1ccc(NCc2cn[nH]c2)cc1Cl ZINC000061846093 181124839 /nfs/dbraw/zinc/12/48/39/181124839.db2.gz KUBACSRYMHYZIM-UHFFFAOYSA-N 0 0 232.674 2.547 10 30 BFEERN N#Cc1ccc(Nc2cc(F)ccc2F)nc1 ZINC000019505568 181126070 /nfs/dbraw/zinc/12/60/70/181126070.db2.gz RBMDSYDUHWAROJ-UHFFFAOYSA-N 0 0 231.205 2.975 10 30 BFEERN N#Cc1ccc(N[C@H]2CCC[C@H]2C#N)cc1 ZINC000054824098 181126599 /nfs/dbraw/zinc/12/65/99/181126599.db2.gz IRQFSFMSSVAJKQ-AAEUAGOBSA-N 0 0 211.268 2.662 10 30 BFEERN N#Cc1nccc2c(Cl)cc(F)cc12 ZINC000521401198 259455435 /nfs/dbraw/zinc/45/54/35/259455435.db2.gz HWDDGDLYGDXOOQ-UHFFFAOYSA-N 0 0 206.607 2.899 10 30 BFEERN N#Cc1ccc2ccnc(Br)c2c1 ZINC000082766522 181133360 /nfs/dbraw/zinc/13/33/60/181133360.db2.gz DDQPRZDQMFJTAE-UHFFFAOYSA-N 0 0 233.068 2.869 10 30 BFEERN N#Cc1ccc([C@@H](O)c2ccccc2)cc1 ZINC000095935487 181129658 /nfs/dbraw/zinc/12/96/58/181129658.db2.gz OWRXYWOWZYCGKX-AWEZNQCLSA-N 0 0 209.248 2.640 10 30 BFEERN N#Cc1ccc2c(c1)O[C@@](F)(Cl)C(F)(F)O2 ZINC000091252456 181132350 /nfs/dbraw/zinc/13/23/50/181132350.db2.gz KTCVZQPDMJUMSC-MRVPVSSYSA-N 0 0 249.575 2.784 10 30 BFEERN N#Cc1cccc(N2CC[C@@H]3CCCC[C@H]32)n1 ZINC000228852089 181139402 /nfs/dbraw/zinc/13/94/02/181139402.db2.gz ZBORNHFIRCVLLC-WCQYABFASA-N 0 0 227.311 2.722 10 30 BFEERN N#Cc1ccccc1-c1nc2ncccc2o1 ZINC000013208925 181144287 /nfs/dbraw/zinc/14/42/87/181144287.db2.gz KKCBDNQVZSPIJD-UHFFFAOYSA-N 0 0 221.219 2.761 10 30 BFEERN N#Cc1cccc2nc(Br)sc21 ZINC000095932300 181144397 /nfs/dbraw/zinc/14/43/97/181144397.db2.gz OXEVQAKLRLHYLG-UHFFFAOYSA-N 0 0 239.097 2.930 10 30 BFEERN N#Cc1cccn1Cc1cc(Cl)ccc1N ZINC000039251614 181151046 /nfs/dbraw/zinc/15/10/46/181151046.db2.gz WWHDSGGMZMHTNV-UHFFFAOYSA-N 0 0 231.686 2.644 10 30 BFEERN N#Cc1ccccc1NCCOCC(F)(F)F ZINC000042238273 181148355 /nfs/dbraw/zinc/14/83/55/181148355.db2.gz PYPIBYIUKHKURK-UHFFFAOYSA-N 0 0 244.216 2.549 10 30 BFEERN N#Cc1ccccc1NCc1ccc([N+](=O)[O-])o1 ZINC000037202978 181149485 /nfs/dbraw/zinc/14/94/85/181149485.db2.gz ZVJLTXPNUWNGQE-UHFFFAOYSA-N 0 0 243.222 2.672 10 30 BFEERN N#Cc1cccnc1OCCc1cccs1 ZINC000049585389 181154367 /nfs/dbraw/zinc/15/43/67/181154367.db2.gz IKADJODDQZACBE-UHFFFAOYSA-N 0 0 230.292 2.636 10 30 BFEERN N#Cc1ccnc(Oc2ccc(Cl)cc2N)c1 ZINC000036667218 181157847 /nfs/dbraw/zinc/15/78/47/181157847.db2.gz JHSKGKPIRFDIAE-UHFFFAOYSA-N 0 0 245.669 2.981 10 30 BFEERN N#Cc1cn2cc(Cl)cc(Cl)c2n1 ZINC000082694315 181161556 /nfs/dbraw/zinc/16/15/56/181161556.db2.gz LNEUXFFIVIVKHU-UHFFFAOYSA-N 0 0 212.039 2.513 10 30 BFEERN N#Cc1conc1-c1cccc(Br)c1 ZINC000071563924 181165410 /nfs/dbraw/zinc/16/54/10/181165410.db2.gz DMWIDUOUIATYRY-UHFFFAOYSA-N 0 0 249.067 2.976 10 30 BFEERN N#Cc1nc(-c2cccc3ccccc32)oc1N ZINC000036380709 181166826 /nfs/dbraw/zinc/16/68/26/181166826.db2.gz XXGBLYFVTUUMGE-UHFFFAOYSA-N 0 0 235.246 2.949 10 30 BFEERN N#Cc1nc(NC2CCCCC2)ccc1[N+](=O)[O-] ZINC000236420070 181168339 /nfs/dbraw/zinc/16/83/39/181168339.db2.gz QTVWWLFNMVEELC-UHFFFAOYSA-N 0 0 246.270 2.606 10 30 BFEERN N#Cc1nccnc1-c1nc2ccccc2s1 ZINC000040537995 181173043 /nfs/dbraw/zinc/17/30/43/181173043.db2.gz PBCVNMPMALOQBT-UHFFFAOYSA-N 0 0 238.275 2.625 10 30 BFEERN C=CC(=O)c1ccc(Br)cc1F ZINC000166083964 355214326 /nfs/dbraw/zinc/21/43/26/355214326.db2.gz QTFIHBIVGIVRCY-UHFFFAOYSA-N 0 0 229.048 2.957 10 30 BFEERN N/C(=N\O)c1cccc(COC2CCCCC2)c1 ZINC000019515287 181181177 /nfs/dbraw/zinc/18/11/77/181181177.db2.gz ILXPEPBKZAGKHH-UHFFFAOYSA-N 0 0 248.326 2.630 10 30 BFEERN N/C(=N\O)c1ccc(OCC2CCCCC2)cc1 ZINC000019808542 181181545 /nfs/dbraw/zinc/18/15/45/181181545.db2.gz IJXRSCJPWQAUNM-UHFFFAOYSA-N 0 0 248.326 2.740 10 30 BFEERN CCCCC[C@H](C)Nc1nccnc1C#N ZINC000054377889 168743871 /nfs/dbraw/zinc/74/38/71/168743871.db2.gz QJPIEHJTCDOGNV-JTQLQIEISA-N 0 0 218.304 2.729 10 30 BFEERN N/N=C(\C=C\c1ccccc1)c1ccccc1O ZINC000095934786 181185601 /nfs/dbraw/zinc/18/56/01/181185601.db2.gz AVMGXXCTNFBLOD-PKAMWHFSSA-N 0 0 238.290 2.768 10 30 BFEERN CCCCN(C(=O)C1(C#N)CCCC1)C1CC1 ZINC000044766332 168752341 /nfs/dbraw/zinc/75/23/41/168752341.db2.gz KQTAADNSNPRAIS-UHFFFAOYSA-N 0 0 234.343 2.861 10 30 BFEERN Cc1csc(SC2=CC(=O)CC2)n1 ZINC000160273180 355805957 /nfs/dbraw/zinc/80/59/57/355805957.db2.gz TZPLNWQHJCRPGD-UHFFFAOYSA-N 0 0 211.311 2.790 10 30 BFEERN CCCC(=O)NCc1nc(CC2=CCCC2)no1 ZINC000329581480 355931281 /nfs/dbraw/zinc/93/12/81/355931281.db2.gz QATGBGCYYLDCTG-UHFFFAOYSA-N 0 0 249.314 2.979 10 30 BFEERN CC(C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000232634189 535300511 /nfs/dbraw/zinc/30/05/11/535300511.db2.gz NGELZVCFHSCBIL-VIFPVBQESA-N 0 0 248.286 2.708 10 30 BFEERN Cc1cc(NCC2CCC2)c(C#N)c(C)n1 ZINC000087969412 356384796 /nfs/dbraw/zinc/38/47/96/356384796.db2.gz UCZAGXXOQIGGLZ-UHFFFAOYSA-N 0 0 215.300 2.782 10 30 BFEERN CCOc1ccc(OC(F)(F)F)cc1C#N ZINC000002540437 356417353 /nfs/dbraw/zinc/41/73/53/356417353.db2.gz CIWZQABVMURQJI-UHFFFAOYSA-N 0 0 231.173 2.856 10 30 BFEERN C[C@H](Nc1ccc(C#N)cc1)[C@@H]1CCCO1 ZINC000035238215 356422097 /nfs/dbraw/zinc/42/20/97/356422097.db2.gz GYNCABRLGDCZDN-GWCFXTLKSA-N 0 0 216.284 2.538 10 30 BFEERN C=C(Br)CNc1cc(C)ccc1N ZINC000168187295 356547871 /nfs/dbraw/zinc/54/78/71/356547871.db2.gz BSXPTXPUQKSFDO-UHFFFAOYSA-N 0 0 241.132 2.898 10 30 BFEERN C[C@]1(F)CCCN(CC2(C#N)CCC2)C1 ZINC000336267484 134141323 /nfs/dbraw/zinc/14/13/23/134141323.db2.gz RZCSYSMOKBILNO-NSHDSACASA-N 0 0 210.296 2.504 10 30 BFEERN C#Cc1ccccc1NC(=O)N[C@H](C)C(C)C ZINC000675079166 538517881 /nfs/dbraw/zinc/51/78/81/538517881.db2.gz QMYOAOAFWUIPAE-LLVKDONJSA-N 0 0 230.311 2.834 10 30 BFEERN Nc1cc(C#CC(F)(F)F)ccc1Cl ZINC000675079608 538518301 /nfs/dbraw/zinc/51/83/01/538518301.db2.gz VIUHCRXDDIXTSM-UHFFFAOYSA-N 0 0 219.593 2.836 10 30 BFEERN C=C(C)CNc1ccncc1Br ZINC000160394524 356699303 /nfs/dbraw/zinc/69/93/03/356699303.db2.gz GTVGIOQLSJNWJD-UHFFFAOYSA-N 0 0 227.105 2.832 10 30 BFEERN CCCCCC[C@@]1(C)O[C@@]1(C)C(=O)OC ZINC000085657950 538544732 /nfs/dbraw/zinc/54/47/32/538544732.db2.gz KBTUPMSCKUVXGS-NEPJUHHUSA-N 0 0 214.305 2.677 10 30 BFEERN COC(=O)[C@]1(C(C)C)O[C@@]1(C)CCC(C)C ZINC000086182545 538550210 /nfs/dbraw/zinc/55/02/10/538550210.db2.gz HGZWQJBQIGDTAH-STQMWFEESA-N 0 0 228.332 2.779 10 30 BFEERN CCCCC[C@@]1(C)O[C@@]1(C(=O)OC)C(C)C ZINC000087649343 538567610 /nfs/dbraw/zinc/56/76/10/538567610.db2.gz XRNGTOYHQOFQRI-CHWSQXEVSA-N 0 0 228.332 2.923 10 30 BFEERN CCCCC[C@]1(C)O[C@@]1(C(=O)OC)C(C)C ZINC000087649344 538568274 /nfs/dbraw/zinc/56/82/74/538568274.db2.gz XRNGTOYHQOFQRI-QWHCGFSZSA-N 0 0 228.332 2.923 10 30 BFEERN CC(C)(C)OC(=O)/C=C/c1cccc(C#N)c1 ZINC000094755553 538603839 /nfs/dbraw/zinc/60/38/39/538603839.db2.gz QTHPENSMHCZBRQ-BQYQJAHWSA-N 0 0 229.279 2.913 10 30 BFEERN CCOC(=O)C#Cc1cc(Cl)ccc1Cl ZINC000135335572 538616922 /nfs/dbraw/zinc/61/69/22/538616922.db2.gz CVJQXDRWPGXHOH-UHFFFAOYSA-N 0 0 243.089 2.908 10 30 BFEERN CCC[C@]1(C(=O)OCC)O[C@@]12CCC[C@@H]2C ZINC000211759895 538681073 /nfs/dbraw/zinc/68/10/73/538681073.db2.gz UNFYRXGJOCQUBE-CYZMBNFOSA-N 0 0 226.316 2.677 10 30 BFEERN CCC[C@]1(C(=O)OCC)O[C@]12CCC[C@@H]2C ZINC000211760033 538681106 /nfs/dbraw/zinc/68/11/06/538681106.db2.gz UNFYRXGJOCQUBE-WCFLWFBJSA-N 0 0 226.316 2.677 10 30 BFEERN SCc1cc(Cl)cc2c1OCC2 ZINC000160452372 356981619 /nfs/dbraw/zinc/98/16/19/356981619.db2.gz IVSGAMIXNDYPJA-UHFFFAOYSA-N 0 0 200.690 2.705 10 30 BFEERN C#C[C@H](O)c1cc2cc(F)ccc2s1 ZINC000160565126 357070254 /nfs/dbraw/zinc/07/02/54/357070254.db2.gz WMAPHJWRQRQOEF-VIFPVBQESA-N 0 0 206.241 2.707 10 30 BFEERN N#CCc1cnc(C(F)(F)F)cc1Cl ZINC000218711326 357276776 /nfs/dbraw/zinc/27/67/76/357276776.db2.gz LXDUHZZSAFENER-UHFFFAOYSA-N 0 0 220.581 2.820 10 30 BFEERN CC(C)(C)[S@@](=O)/N=C/c1ccnc(Cl)c1 ZINC000224964716 357403038 /nfs/dbraw/zinc/40/30/38/357403038.db2.gz OUPJDFYEBVGNNR-MYWXAZLQSA-N 0 0 244.747 2.616 10 30 BFEERN C=CC(C)(C)C(=O)N1CCCCC1=S ZINC000039124734 358221244 /nfs/dbraw/zinc/22/12/44/358221244.db2.gz IJRACFSIMASZAG-UHFFFAOYSA-N 0 0 211.330 2.539 10 30 BFEERN Nc1c(F)cc(C#Cc2cccnc2)cc1Cl ZINC000584592587 358250377 /nfs/dbraw/zinc/25/03/77/358250377.db2.gz OALYMNSYRATITN-UHFFFAOYSA-N 0 0 246.672 2.856 10 30 BFEERN CC(C)Cc1ccc(C[C@H](O)CC#N)cc1 ZINC000584594632 358251794 /nfs/dbraw/zinc/25/17/94/358251794.db2.gz OBNQJOGTTQLVGK-CQSZACIVSA-N 0 0 217.312 2.702 10 30 BFEERN CCCCOc1ccc(C[C@H](O)CC#N)cc1 ZINC000584594731 358251998 /nfs/dbraw/zinc/25/19/98/358251998.db2.gz WTMTYHCKCDWCSQ-CYBMUJFWSA-N 0 0 233.311 2.683 10 30 BFEERN CC(C)Cc1ccc(C[C@@H](O)CC#N)cc1 ZINC000584594627 358252107 /nfs/dbraw/zinc/25/21/07/358252107.db2.gz OBNQJOGTTQLVGK-AWEZNQCLSA-N 0 0 217.312 2.702 10 30 BFEERN C=C[C@@](O)(CCC)c1ccc(OC)cc1 ZINC000584596157 358253764 /nfs/dbraw/zinc/25/37/64/358253764.db2.gz UVWLQBFWNOTSKP-CYBMUJFWSA-N 0 0 206.285 2.869 10 30 BFEERN CC[C@@H](CCC=O)c1ccc(C(=O)OC)cc1 ZINC000584597735 358255027 /nfs/dbraw/zinc/25/50/27/358255027.db2.gz GOUYEJGUZKVKNT-NSHDSACASA-N 0 0 234.295 2.946 10 30 BFEERN C=CC[C@H](Cc1ccc(F)cc1)NC(=O)OC ZINC000584600933 358257689 /nfs/dbraw/zinc/25/76/89/358257689.db2.gz UMUOXJKILPORPX-GFCCVEGCSA-N 0 0 237.274 2.669 10 30 BFEERN CC[C@@H](COc1cccc(C)c1)N=C(C)NC#N ZINC000584601797 358259477 /nfs/dbraw/zinc/25/94/77/358259477.db2.gz OSYLSGBUEWBCKG-ZDUSSCGKSA-N 0 0 245.326 2.642 10 30 BFEERN CC(=NC#N)N[C@@H](C)c1cccc(C)c1C ZINC000584602208 358260014 /nfs/dbraw/zinc/26/00/14/358260014.db2.gz ZZSBTYFXSWMZOT-NSHDSACASA-N 0 0 215.300 2.854 10 30 BFEERN COc1ccccc1[C@@H]1CC[C@@H](C=O)C1 ZINC000584603135 358261370 /nfs/dbraw/zinc/26/13/70/358261370.db2.gz KKROFDMSWIYQCP-GHMZBOCLSA-N 0 0 204.269 2.778 10 30 BFEERN COC(=O)c1cccc(C#CCC(F)(F)F)c1 ZINC000584606633 358265753 /nfs/dbraw/zinc/26/57/53/358265753.db2.gz JRVLDGNEAHALMZ-UHFFFAOYSA-N 0 0 242.196 2.777 10 30 BFEERN COC(=O)CCCCCCC[C@@H](C)C=O ZINC000584607076 358267123 /nfs/dbraw/zinc/26/71/23/358267123.db2.gz YASXWUKMQLJUAI-LLVKDONJSA-N 0 0 214.305 2.725 10 30 BFEERN C=CC(CC)(CC)N[S@@](=O)C(C)(C)C ZINC000584608474 358269000 /nfs/dbraw/zinc/26/90/00/358269000.db2.gz XDMMIIASFKXGAV-AWEZNQCLSA-N 0 0 217.378 2.783 10 30 BFEERN Clc1ccc(C#C[C@@H]2CCCO2)cc1 ZINC000584621930 358290141 /nfs/dbraw/zinc/29/01/41/358290141.db2.gz ZDEICQFLBYSTBK-LBPRGKRZSA-N 0 0 206.672 2.871 10 30 BFEERN N#Cc1nc(-c2ccco2)nc2ccccc12 ZINC000584622304 358290160 /nfs/dbraw/zinc/29/01/60/358290160.db2.gz HVIQGUYFEHHUQQ-UHFFFAOYSA-N 0 0 221.219 2.761 10 30 BFEERN COc1cc([C@@H](C)/C(C)=N/O)c(OC)cc1C ZINC000584624370 358292305 /nfs/dbraw/zinc/29/23/05/358292305.db2.gz BGLRYQHBPQPJKU-SUFRGBFDSA-N 0 0 237.299 2.966 10 30 BFEERN Cc1ccc(C2(C#N)CCOCC2)cc1F ZINC000584625691 358294756 /nfs/dbraw/zinc/29/47/56/358294756.db2.gz OXMCKRJHOOAYPB-UHFFFAOYSA-N 0 0 219.259 2.706 10 30 BFEERN CC[C@@](C)(C#N)Nc1ccc([N+](=O)[O-])cc1 ZINC000584626545 358295770 /nfs/dbraw/zinc/29/57/70/358295770.db2.gz LDAVNYQZNDXMTQ-NSHDSACASA-N 0 0 219.244 2.699 10 30 BFEERN CCCC/N=C1/SCC(=O)N1CCCC ZINC000584631575 358313557 /nfs/dbraw/zinc/31/35/57/358313557.db2.gz SWSBMZPYKOXAFH-VAWYXSNFSA-N 0 0 228.361 2.518 10 30 BFEERN C[Si](C)(C)C#Cc1ccc([N+](=O)[O-])s1 ZINC000584650461 358305114 /nfs/dbraw/zinc/30/51/14/358305114.db2.gz NTVSSRXSVDKSTP-UHFFFAOYSA-N 0 0 225.345 2.885 10 30 BFEERN N#CC1=NNN[C@@H]1c1cccc2ccccc21 ZINC000584617228 358282090 /nfs/dbraw/zinc/28/20/90/358282090.db2.gz RDGPYFQYXAZHST-QWHCGFSZSA-N 0 0 222.251 2.743 10 30 BFEERN C=CCNc1cncc(C(F)(F)F)c1 ZINC000584647039 358331685 /nfs/dbraw/zinc/33/16/85/358331685.db2.gz RAAYTKIGEWROGU-UHFFFAOYSA-N 0 0 202.179 2.698 10 30 BFEERN Cc1c(O)cnc(Oc2cccc(F)c2)c1C#N ZINC000584633315 358316956 /nfs/dbraw/zinc/31/69/56/358316956.db2.gz BJJIHHUKGBAABN-UHFFFAOYSA-N 0 0 244.225 2.899 10 30 BFEERN CC(C)(C)O/N=C/c1ccc(C#N)cc1 ZINC000584635734 358320223 /nfs/dbraw/zinc/32/02/23/358320223.db2.gz LRLJNUSZIVKITA-NTEUORMPSA-N 0 0 202.257 2.707 10 30 BFEERN Cc1csc(N=NC(C)c2ccncc2)n1 ZINC000584636196 358320469 /nfs/dbraw/zinc/32/04/69/358320469.db2.gz SRBTUFCYRZJVEF-NTEUORMPSA-N 0 0 232.312 2.683 10 30 BFEERN CCOP(=O)(OCC)[C@@H]1CC(C)=CC1=O ZINC000584636747 358321574 /nfs/dbraw/zinc/32/15/74/358321574.db2.gz ZHEVAXRQOOCOFD-SNVBAGLBSA-N 0 0 232.216 2.540 10 30 BFEERN C=C(C#Cc1ccc(Cl)cc1)CCO ZINC000584637202 358322215 /nfs/dbraw/zinc/32/22/15/358322215.db2.gz LCPWBWHGHOZRDE-UHFFFAOYSA-N 0 0 206.672 2.630 10 30 BFEERN CC(C)N(CCC#N)C(=O)[C@H]1CCC[C@H]1C ZINC000230170871 358394688 /nfs/dbraw/zinc/39/46/88/358394688.db2.gz LPIOZGOUFJPFPN-NEPJUHHUSA-N 0 0 222.332 2.573 10 30 BFEERN CC[C@@H](C#N)N1CCSC(C)(C)CC1 ZINC000231046366 358541195 /nfs/dbraw/zinc/54/11/95/358541195.db2.gz VJNYYHRHTFHQKY-JTQLQIEISA-N 0 0 212.362 2.506 10 30 BFEERN C=C(Cl)CNc1csc(Cl)n1 ZINC000306169129 358978215 /nfs/dbraw/zinc/97/82/15/358978215.db2.gz JGNGCIUZCSKMEF-UHFFFAOYSA-N 0 0 209.101 2.961 10 30 BFEERN C[C@@H]1CC[C@@H](C[C@]2(C#N)CCCS2)O1 ZINC000299994932 359016879 /nfs/dbraw/zinc/01/68/79/359016879.db2.gz KKUYVHIWXHAMFL-VWYCJHECSA-N 0 0 211.330 2.733 10 30 BFEERN CCc1nc(C)c(CN[C@H]2CCCC[C@H]2C#N)o1 ZINC000385550183 359288539 /nfs/dbraw/zinc/28/85/39/359288539.db2.gz WVVOXJNYKHHROJ-RYUDHWBXSA-N 0 0 247.342 2.717 10 30 BFEERN C=C(c1cn[nH]c(=S)c1)C(F)(F)F ZINC000306207106 359299013 /nfs/dbraw/zinc/29/90/13/359299013.db2.gz XXLFXIHRAIXJQJ-UHFFFAOYSA-N 0 0 206.192 2.715 10 30 BFEERN Cc1csc([C@H]2CC[C@@H](CC#N)O2)n1 ZINC000306212799 359308470 /nfs/dbraw/zinc/30/84/70/359308470.db2.gz WFVBGQSSUCOYPW-DTWKUNHWSA-N 0 0 208.286 2.585 10 30 BFEERN C=CCC(=O)c1cc(F)c(F)cc1F ZINC000306229372 359360297 /nfs/dbraw/zinc/36/02/97/359360297.db2.gz JJABBNALTYXOGP-UHFFFAOYSA-N 0 0 200.159 2.863 10 30 BFEERN C[C@H](C#N)[C@H](O)c1ccsc1Cl ZINC000306220912 359346659 /nfs/dbraw/zinc/34/66/59/359346659.db2.gz IQSSCTWKBFVNNT-VDTYLAMSSA-N 0 0 201.678 2.595 10 30 BFEERN C=CCSc1nnc(Br)s1 ZINC000306245990 359431785 /nfs/dbraw/zinc/43/17/85/359431785.db2.gz AQGPXSWFJKMTSO-UHFFFAOYSA-N 0 0 237.147 2.579 10 30 BFEERN C[C@@H]1CCC[C@]1(C=O)Cc1ccncc1 ZINC000306247939 359434612 /nfs/dbraw/zinc/43/46/12/359434612.db2.gz UHOOZZWFHNYCJQ-DGCLKSJQSA-N 0 0 203.285 2.629 10 30 BFEERN C[C@H]1CCC[C@@]1(C=O)Cc1ccncc1 ZINC000306247937 359434635 /nfs/dbraw/zinc/43/46/35/359434635.db2.gz UHOOZZWFHNYCJQ-AAEUAGOBSA-N 0 0 203.285 2.629 10 30 BFEERN C[C@H]1CCC[C@]1(C=O)Cc1ccncc1 ZINC000306247941 359434639 /nfs/dbraw/zinc/43/46/39/359434639.db2.gz UHOOZZWFHNYCJQ-WCQYABFASA-N 0 0 203.285 2.629 10 30 BFEERN O=C[C@@H]1CC[C@H](c2ccsc2Cl)O1 ZINC000306268454 359489939 /nfs/dbraw/zinc/48/99/39/359489939.db2.gz JJKWPTKYOOLQOW-POYBYMJQSA-N 0 0 216.689 2.821 10 30 BFEERN O=C[C@H]1CC[C@@H](c2ccsc2Cl)O1 ZINC000306268455 359490075 /nfs/dbraw/zinc/49/00/75/359490075.db2.gz JJKWPTKYOOLQOW-SVRRBLITSA-N 0 0 216.689 2.821 10 30 BFEERN C=CCNc1ccc(C#N)cc1Br ZINC000169186105 359700014 /nfs/dbraw/zinc/70/00/14/359700014.db2.gz ATJYZJLSALLPHW-UHFFFAOYSA-N 0 0 237.100 2.919 10 30 BFEERN N#Cc1ccnc(C(F)(F)F)c1C(F)(F)F ZINC000396075991 359805984 /nfs/dbraw/zinc/80/59/84/359805984.db2.gz BDEGJSINPOVEEX-UHFFFAOYSA-N 0 0 240.106 2.991 10 30 BFEERN COCc1ccc(CN[C@H]2CCC[C@@H]2C#N)cc1 ZINC000088568452 359967043 /nfs/dbraw/zinc/96/70/43/359967043.db2.gz GZHNMFCZHUMAAJ-CABCVRRESA-N 0 0 244.338 2.615 10 30 BFEERN O=C[C@@H]1CC[C@@H](c2cc(Cl)cs2)O1 ZINC000306472631 360099903 /nfs/dbraw/zinc/09/99/03/360099903.db2.gz CMVBWGGYONUVDH-YUMQZZPRSA-N 0 0 216.689 2.821 10 30 BFEERN C#CC[C@H](C)Nc1csc(Cl)n1 ZINC000306494163 360217079 /nfs/dbraw/zinc/21/70/79/360217079.db2.gz AVFYBKZCQZETRS-LURJTMIESA-N 0 0 200.694 2.620 10 30 BFEERN C=C([C@@H](O)[C@]1(C)CCCS1)C(F)(F)F ZINC000306498623 360238285 /nfs/dbraw/zinc/23/82/85/360238285.db2.gz FUSJBOIEEUVVJM-SFYZADRCSA-N 0 0 226.263 2.752 10 30 BFEERN CCc1ccsc1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000093655738 360267430 /nfs/dbraw/zinc/26/74/30/360267430.db2.gz VWTQUFVXEPJQOW-WDEREUQCSA-N 0 0 248.351 2.733 10 30 BFEERN CCc1ccsc1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000093655739 360267475 /nfs/dbraw/zinc/26/74/75/360267475.db2.gz VWTQUFVXEPJQOW-QWRGUYRKSA-N 0 0 248.351 2.733 10 30 BFEERN C[C@@H]1CC[C@]2(CCC[C@@H](C=O)O2)C[C@@H]1C ZINC000306520095 360343305 /nfs/dbraw/zinc/34/33/05/360343305.db2.gz JRXSWYSGXKUBKB-MROQNXINSA-N 0 0 210.317 2.949 10 30 BFEERN C=C([C@@H](O)c1nc(C)cs1)C(F)(F)F ZINC000306503362 360315006 /nfs/dbraw/zinc/31/50/06/360315006.db2.gz WDIVHMJDPHPCAD-ZCFIWIBFSA-N 0 0 223.219 2.603 10 30 BFEERN CCN(C[C@H](C)C#N)c1ccc(C)cc1N ZINC000042448018 169889030 /nfs/dbraw/zinc/88/90/30/169889030.db2.gz FLWRYLBKRFXXTJ-LLVKDONJSA-N 0 0 217.316 2.563 10 30 BFEERN C=C(C)[C@H](O)c1coc(Br)c1 ZINC000306532062 360391328 /nfs/dbraw/zinc/39/13/28/360391328.db2.gz GINOTOPJUFXYKU-QMMMGPOBSA-N 0 0 217.062 2.652 10 30 BFEERN CCN(C[C@H](C)C#N)c1ccc(F)cc1 ZINC000050011888 169889235 /nfs/dbraw/zinc/88/92/35/169889235.db2.gz KBZIFJZTJHTTAS-SNVBAGLBSA-N 0 0 206.264 2.812 10 30 BFEERN C#C[C@@](C)(O)c1c(Cl)cccc1Cl ZINC000306560692 360437996 /nfs/dbraw/zinc/43/79/96/360437996.db2.gz BHQZFRYWUVFDTI-SNVBAGLBSA-N 0 0 215.079 2.834 10 30 BFEERN N#Cc1csc(CNc2ccsc2)n1 ZINC000306566818 360447475 /nfs/dbraw/zinc/44/74/75/360447475.db2.gz ZCDQIYCJRXASPY-UHFFFAOYSA-N 0 0 221.310 2.688 10 30 BFEERN C=C[C@@H](C)n1cc(C)c(=O)c(Br)c1 ZINC000306557711 360431110 /nfs/dbraw/zinc/43/11/10/360431110.db2.gz NJPSIJBRDBVIII-MRVPVSSYSA-N 0 0 242.116 2.666 10 30 BFEERN N#CCc1cc(C(F)F)c(F)cc1F ZINC000306584551 360482199 /nfs/dbraw/zinc/48/21/99/360482199.db2.gz QEXRBSKLJNFAFY-UHFFFAOYSA-N 0 0 203.138 2.968 10 30 BFEERN C/C=C/C(=O)c1cc(F)cc(F)c1F ZINC000306603182 360528914 /nfs/dbraw/zinc/52/89/14/360528914.db2.gz XBPOJNDYGIFKCX-NSCUHMNNSA-N 0 0 200.159 2.863 10 30 BFEERN CC(C)(S)CC(=O)Nc1ccccc1 ZINC000238097184 360556700 /nfs/dbraw/zinc/55/67/00/360556700.db2.gz IICDVEFFLPKVJX-UHFFFAOYSA-N 0 0 209.314 2.724 10 30 BFEERN Cc1ccc([C@@H]2CC(=O)C=CO2)cc1C ZINC000069850486 360702726 /nfs/dbraw/zinc/70/27/26/360702726.db2.gz HAQBMCAPORGKSU-ZDUSSCGKSA-N 0 0 202.253 2.848 10 30 BFEERN Cc1ccc([C@H]2CC(=O)C=CO2)cc1F ZINC000069850465 360702736 /nfs/dbraw/zinc/70/27/36/360702736.db2.gz ZROBWCLQYRCUOZ-GFCCVEGCSA-N 0 0 206.216 2.678 10 30 BFEERN Cc1cccc([C@@H]2CC(=O)C=CO2)c1C ZINC000069850513 360703078 /nfs/dbraw/zinc/70/30/78/360703078.db2.gz DYWMQTILYWQCIF-ZDUSSCGKSA-N 0 0 202.253 2.848 10 30 BFEERN N#CCc1nccc(OC(F)(F)F)c1Cl ZINC000238538024 361141673 /nfs/dbraw/zinc/14/16/73/361141673.db2.gz WDNSNSBUKLGQHY-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN N#CCc1cncc(OC(F)(F)F)c1Cl ZINC000238543585 361146555 /nfs/dbraw/zinc/14/65/55/361146555.db2.gz PXZJLFBRSLPHJH-UHFFFAOYSA-N 0 0 236.580 2.700 10 30 BFEERN N#Cc1cc(Cl)ccc1OCC(F)F ZINC000130627378 363846220 /nfs/dbraw/zinc/84/62/20/363846220.db2.gz IJDMZDRUZZHXIB-UHFFFAOYSA-N 0 0 217.602 2.856 10 30 BFEERN CCCCc1ccc(C#CCCO)cc1 ZINC000037470685 364054631 /nfs/dbraw/zinc/05/46/31/364054631.db2.gz ROXRSHLZBRYHMI-UHFFFAOYSA-N 0 0 202.297 2.763 10 30 BFEERN Cn1cc(C(F)F)c(-c2ccc(C#N)s2)n1 ZINC000725269819 541339175 /nfs/dbraw/zinc/33/91/75/541339175.db2.gz DQPOITHFBIMVAW-UHFFFAOYSA-N 0 0 239.250 2.958 10 30 BFEERN OCC#Cc1ccccc1OCc1ccccc1 ZINC000037653956 364436456 /nfs/dbraw/zinc/43/64/56/364436456.db2.gz KWPYEMWFXQPQKQ-UHFFFAOYSA-N 0 0 238.286 2.609 10 30 BFEERN CC(C)(C)[S@](=O)/N=C/c1ccnc(Cl)c1 ZINC000224964752 364450656 /nfs/dbraw/zinc/45/06/56/364450656.db2.gz OUPJDFYEBVGNNR-COSNYCCFSA-N 0 0 244.747 2.616 10 30 BFEERN C=C(Br)COc1cccc(O)c1C ZINC000037681812 364517671 /nfs/dbraw/zinc/51/76/71/364517671.db2.gz OMLIUIHBSDRDER-UHFFFAOYSA-N 0 0 243.100 2.988 10 30 BFEERN C[C@@H]1CCC[C@H]1C(=O)N1CCC[C@@H](CC#N)C1 ZINC000397665805 541400208 /nfs/dbraw/zinc/40/02/08/541400208.db2.gz YAYGGCMBWYWZRI-FRRDWIJNSA-N 0 0 234.343 2.575 10 30 BFEERN CCOC(=O)CC1([C@@H]2CO2)C[C@H](C)C[C@@H](C)C1 ZINC000675053059 541430734 /nfs/dbraw/zinc/43/07/34/541430734.db2.gz KWULXXXTKYYALA-UTUOFQBUSA-N 0 0 240.343 2.781 10 30 BFEERN CCC[C@@]1(CC)O[C@]1(C(=O)OC)C(C)C ZINC000233317962 541508601 /nfs/dbraw/zinc/50/86/01/541508601.db2.gz QFPZEUBFWIHIFT-NEPJUHHUSA-N 0 0 214.305 2.533 10 30 BFEERN CC(C)(C)OC(=O)N1CCCC[C@@H](C#N)C1 ZINC000215051268 368142885 /nfs/dbraw/zinc/14/28/85/368142885.db2.gz QGYWDIMUFLWANK-JTQLQIEISA-N 0 0 224.304 2.547 10 30 BFEERN CCN(CCC#N)c1cccc(F)c1[C@H](C)O ZINC000042450943 169817005 /nfs/dbraw/zinc/81/70/05/169817005.db2.gz YGOWFSZNRAWAER-JTQLQIEISA-N 0 0 236.290 2.619 10 30 BFEERN COc1ccccc1/N=C/c1ccc[nH]1 ZINC000105133131 368394558 /nfs/dbraw/zinc/39/45/58/368394558.db2.gz YMXYOFJYNNMBMG-NTEUORMPSA-N 0 0 200.241 2.774 10 30 BFEERN C=C(C)C(=C)S(=O)(=O)c1ccccc1 ZINC000038435303 368409509 /nfs/dbraw/zinc/40/95/09/368409509.db2.gz OYMQANWQKCTSBQ-UHFFFAOYSA-N 0 0 208.282 2.550 10 30 BFEERN CCC[C@@H](OC[C@@H]1CO1)c1ccccc1 ZINC000081170411 368580204 /nfs/dbraw/zinc/58/02/04/368580204.db2.gz RTUWTVUKLJWROC-QWHCGFSZSA-N 0 0 206.285 2.943 10 30 BFEERN COc1ccc(C[C@H](C=O)C(C)C)cc1 ZINC000107200747 369338139 /nfs/dbraw/zinc/33/81/39/369338139.db2.gz LRTDZZGHYKSVFJ-GFCCVEGCSA-N 0 0 206.285 2.709 10 30 BFEERN CCN(c1ccc(Cl)c(C#N)n1)C1CC1 ZINC000301559987 369377013 /nfs/dbraw/zinc/37/70/13/369377013.db2.gz XRQKPHUGOUJHOO-UHFFFAOYSA-N 0 0 221.691 2.595 10 30 BFEERN CCCCc1cc(C#N)nc(C2CC2)n1 ZINC000409440533 369975433 /nfs/dbraw/zinc/97/54/33/369975433.db2.gz XJDKPNXNLXQGAX-UHFFFAOYSA-N 0 0 201.273 2.568 10 30 BFEERN CC(C)(O)C#Cc1ccc(C(F)(F)F)cc1 ZINC000002386377 370442530 /nfs/dbraw/zinc/44/25/30/370442530.db2.gz OKTRUYSUCGJWKY-UHFFFAOYSA-N 0 0 228.213 2.828 10 30 BFEERN C=C(C)CN(CC)C(=O)N[C@H](C)C(C)C ZINC000125940771 371454170 /nfs/dbraw/zinc/45/41/70/371454170.db2.gz APHNOBJJLGEVTK-LLVKDONJSA-N 0 0 212.337 2.639 10 30 BFEERN Cc1cc(Cl)c(N)c(C#N)c1Cl ZINC000131881719 371704958 /nfs/dbraw/zinc/70/49/58/371704958.db2.gz MKTDMZXUFVVQSH-UHFFFAOYSA-N 0 0 201.056 2.756 10 30 BFEERN C[C@H](C=O)Cc1cc2cccc(F)c2o1 ZINC000131915058 371713315 /nfs/dbraw/zinc/71/33/15/371713315.db2.gz CLLFKOVXARMYKI-QMMMGPOBSA-N 0 0 206.216 2.949 10 30 BFEERN C[C@H](C=O)c1ccc(Br)cc1F ZINC000132280917 371783140 /nfs/dbraw/zinc/78/31/40/371783140.db2.gz LLQXECHSKUWMGE-ZCFIWIBFSA-N 0 0 231.064 2.891 10 30 BFEERN Cc1ccncc1CN[C@H]1CCCC[C@@H]1C#N ZINC000162755578 371839955 /nfs/dbraw/zinc/83/99/55/371839955.db2.gz RZZPBKAWCBLNSN-OCCSQVGLSA-N 0 0 229.327 2.562 10 30 BFEERN CCN[C@@H](C#N)c1sccc1Br ZINC000228006440 371967257 /nfs/dbraw/zinc/96/72/57/371967257.db2.gz MPFPGKDGIGQRQT-ZETCQYMHSA-N 0 0 245.145 2.685 10 30 BFEERN C=C(C)CC(=O)c1ccc(Br)cn1 ZINC000133034455 371976462 /nfs/dbraw/zinc/97/64/62/371976462.db2.gz LDVRMOSGMYPMFF-UHFFFAOYSA-N 0 0 240.100 2.993 10 30 BFEERN CC[C@H](C)SC1(C#N)CC2(COC2)C1 ZINC000228058477 371983026 /nfs/dbraw/zinc/98/30/26/371983026.db2.gz CMZVVTLKVBDOLW-VIFPVBQESA-N 0 0 211.330 2.591 10 30 BFEERN C=C(C)C[C@H](O)[C@H]1SCCS[C@@H]1C ZINC000228088893 371988243 /nfs/dbraw/zinc/98/82/43/371988243.db2.gz RAGXPWZNAFJMJI-UTLUCORTSA-N 0 0 218.387 2.551 10 30 BFEERN COc1cc(F)c(CC#N)cc1Br ZINC000217435229 371955441 /nfs/dbraw/zinc/95/54/41/371955441.db2.gz AZVJQRMYBBNMGM-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN C#C[C@@](C)(CC)Nc1nc(Cl)ncc1Cl ZINC000306682825 372054141 /nfs/dbraw/zinc/05/41/41/372054141.db2.gz SOHXSRMPYVGIMV-JTQLQIEISA-N 0 0 244.125 2.997 10 30 BFEERN C#C[C@](C)(CC)Nc1nc(Cl)ncc1Cl ZINC000306682826 372054653 /nfs/dbraw/zinc/05/46/53/372054653.db2.gz SOHXSRMPYVGIMV-SNVBAGLBSA-N 0 0 244.125 2.997 10 30 BFEERN OCCCC#Cc1ccc(Cl)cc1F ZINC000163526127 372007611 /nfs/dbraw/zinc/00/76/11/372007611.db2.gz RCYPBMLXTUVIAO-UHFFFAOYSA-N 0 0 212.651 2.603 10 30 BFEERN C=CC[C@H](C)Nc1nc(Cl)ncc1F ZINC000229325342 372142533 /nfs/dbraw/zinc/14/25/33/372142533.db2.gz KKCIOHBIFKFOJM-LURJTMIESA-N 0 0 215.659 2.646 10 30 BFEERN C#CC[C@@H](CC)Nc1nc(Cl)ncc1C ZINC000229318868 372142891 /nfs/dbraw/zinc/14/28/91/372142891.db2.gz DCJXREAVXSLFGG-SECBINFHSA-N 0 0 223.707 2.652 10 30 BFEERN CN(C/C=C/Cl)c1cccc(C#N)c1 ZINC000059191397 372150091 /nfs/dbraw/zinc/15/00/91/372150091.db2.gz QTBLRPGFDNBMMO-ZZXKWVIFSA-N 0 0 206.676 2.747 10 30 BFEERN O=CCCOc1cccc2ccccc21 ZINC000032299678 372175629 /nfs/dbraw/zinc/17/56/29/372175629.db2.gz UIOADKXJRSSNGS-UHFFFAOYSA-N 0 0 200.237 2.808 10 30 BFEERN Cc1sc(C#N)cc1Br ZINC000038540789 372698214 /nfs/dbraw/zinc/69/82/14/372698214.db2.gz BCFHPZPVPAVAIA-UHFFFAOYSA-N 0 0 202.076 2.691 10 30 BFEERN Cc1ccc2c(c1)cc(C#N)c(=O)n2CC(C)C ZINC000039288573 372932630 /nfs/dbraw/zinc/93/26/30/372932630.db2.gz VGNSVZOIIASIBI-UHFFFAOYSA-N 0 0 240.306 2.838 10 30 BFEERN N#Cc1nccc(OC(F)(F)F)c1C(F)F ZINC000381019608 373751827 /nfs/dbraw/zinc/75/18/27/373751827.db2.gz VXIDHABZXJPTNV-UHFFFAOYSA-N 0 0 238.115 2.789 10 30 BFEERN O=C1C=CO[C@@H](c2cccc(Cl)c2)C1 ZINC000069850295 373876282 /nfs/dbraw/zinc/87/62/82/373876282.db2.gz IEXZGQQLKRDZNF-LLVKDONJSA-N 0 0 208.644 2.884 10 30 BFEERN CCc1ccccc1[C@@H]1CC(=O)C=CO1 ZINC000069850344 373876354 /nfs/dbraw/zinc/87/63/54/373876354.db2.gz MTRRZXNKVRIOCL-ZDUSSCGKSA-N 0 0 202.253 2.793 10 30 BFEERN Cc1ccc([C@@H]2CC(=O)C=CO2)c(C)c1 ZINC000069850331 373877023 /nfs/dbraw/zinc/87/70/23/373877023.db2.gz COKKSTAHDMQGET-ZDUSSCGKSA-N 0 0 202.253 2.848 10 30 BFEERN N#CCC[C@@H](O)c1cccc(Br)c1 ZINC000041283106 374128602 /nfs/dbraw/zinc/12/86/02/374128602.db2.gz BCYUOLBQDZDZDN-SNVBAGLBSA-N 0 0 240.100 2.786 10 30 BFEERN CC1(C)CCc2c(C#N)c(N)sc2C1 ZINC000070653849 374169620 /nfs/dbraw/zinc/16/96/20/374169620.db2.gz UTAQFTUFMXAZCA-UHFFFAOYSA-N 0 0 206.314 2.717 10 30 BFEERN Nc1ccc(F)c(C(=O)C2=CCCC2)c1 ZINC000070671438 374171156 /nfs/dbraw/zinc/17/11/56/374171156.db2.gz VHQCDETYLDVXMK-UHFFFAOYSA-N 0 0 205.232 2.701 10 30 BFEERN O=CCOc1cc(Cl)cc(Cl)c1 ZINC000011584314 182851413 /nfs/dbraw/zinc/85/14/13/182851413.db2.gz YMMNUOZUHNBBBK-UHFFFAOYSA-N 0 0 205.040 2.571 10 30 BFEERN O=CCSc1ccc(Br)cc1 ZINC000019686063 182851943 /nfs/dbraw/zinc/85/19/43/182851943.db2.gz SKVXWEQQTLUNJJ-UHFFFAOYSA-N 0 0 231.114 2.740 10 30 BFEERN O=C[C@@]1(Cl)C=Cc2cc(Cl)ccc2N1 ZINC000095931629 182856532 /nfs/dbraw/zinc/85/65/32/182856532.db2.gz MJEJLYZCSWVZNB-SNVBAGLBSA-N 0 0 228.078 2.913 10 30 BFEERN CC(C)(C)NC(=O)c1ccccc1SCC#N ZINC000070236883 166626786 /nfs/dbraw/zinc/62/67/86/166626786.db2.gz WYYOQPAUOYLOLT-UHFFFAOYSA-N 0 0 248.351 2.831 10 30 BFEERN O[C@H](C#Cc1ccccc1)C(Cl)(Cl)Cl ZINC000021989926 183218237 /nfs/dbraw/zinc/21/82/37/183218237.db2.gz IJDUJFBKDOWJEH-SECBINFHSA-N 0 0 249.524 2.769 10 30 BFEERN SCc1nnc(-c2cccc(Cl)c2)o1 ZINC000057953203 183315980 /nfs/dbraw/zinc/31/59/80/183315980.db2.gz BRFNEEAKOCEFCF-UHFFFAOYSA-N 0 0 226.688 2.820 10 30 BFEERN CCCN[C@@]1(C#N)CCCc2sccc21 ZINC000061329605 169284303 /nfs/dbraw/zinc/28/43/03/169284303.db2.gz OVMCEQOKIQWKHT-GFCCVEGCSA-N 0 0 220.341 2.803 10 30 BFEERN CCCN[C@@H](C#N)c1ccccc1OCC ZINC000020174749 169273474 /nfs/dbraw/zinc/27/34/74/169273474.db2.gz DTVPQJPXQDGHHI-LBPRGKRZSA-N 0 0 218.300 2.650 10 30 BFEERN CCCN[C@@H](C#N)c1cccc(Cl)c1 ZINC000020173870 169273721 /nfs/dbraw/zinc/27/37/21/169273721.db2.gz SDAAFHARIYBYCC-NSHDSACASA-N 0 0 208.692 2.904 10 30 BFEERN CCCN[C@@H](C#N)CCN(CC)c1ccccc1 ZINC000062369388 169273877 /nfs/dbraw/zinc/27/38/77/169273877.db2.gz NFWYYKOKYHZCSZ-CQSZACIVSA-N 0 0 245.370 2.795 10 30 BFEERN CCCN[C@]1(C#N)CCCc2sccc21 ZINC000061329604 169293799 /nfs/dbraw/zinc/29/37/99/169293799.db2.gz OVMCEQOKIQWKHT-LBPRGKRZSA-N 0 0 220.341 2.803 10 30 BFEERN CCC[C@@H](C#N)C(=O)N[C@@H](C)C(CC)CC ZINC000104431826 169342858 /nfs/dbraw/zinc/34/28/58/169342858.db2.gz HUJIYOHIOBONNV-JQWIXIFHSA-N 0 0 224.348 2.867 10 30 BFEERN CCCOc1ccc(C=O)c(O[C@H](C)C#N)c1 ZINC000047873918 169317771 /nfs/dbraw/zinc/31/77/71/169317771.db2.gz HREURTMREBWTIM-SNVBAGLBSA-N 0 0 233.267 2.579 10 30 BFEERN CCC[C@@H](C)N(C)c1ccc(C#N)cc1N ZINC000036790142 169366088 /nfs/dbraw/zinc/36/60/88/169366088.db2.gz ZNMDNHKYPCVXAF-SNVBAGLBSA-N 0 0 217.316 2.765 10 30 BFEERN CCC[C@@H](C)C(=O)NC(C#N)(CC)CC ZINC000040358955 169349609 /nfs/dbraw/zinc/34/96/09/169349609.db2.gz URDLEEKBHSEKLI-SNVBAGLBSA-N 0 0 210.321 2.621 10 30 BFEERN CCC[C@@H]1C[C@H]1Nc1ccc(C)c(C#N)n1 ZINC000302672113 169442474 /nfs/dbraw/zinc/44/24/74/169442474.db2.gz RXLOUEDLCGILCN-GHMZBOCLSA-N 0 0 215.300 2.862 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NCc1ncc(Cl)s1 ZINC000225521251 134354052 /nfs/dbraw/zinc/35/40/52/134354052.db2.gz VEKQGQOKIDTXQD-SFYZADRCSA-N 0 0 241.747 2.578 10 30 BFEERN CCN(C(=O)C(C#N)(CC)CC)C(C)C ZINC000044765477 169629873 /nfs/dbraw/zinc/62/98/73/169629873.db2.gz CAKLSHANBJGYTL-UHFFFAOYSA-N 0 0 210.321 2.573 10 30 BFEERN N#Cc1cc(N)c(C(F)(F)F)cc1Cl ZINC000260170558 384095958 /nfs/dbraw/zinc/09/59/58/384095958.db2.gz KEKMHVQAAKTNJU-UHFFFAOYSA-N 0 0 220.581 2.813 10 30 BFEERN CO/N=C1\CCc2cc(Br)ccc21 ZINC000091301999 384114016 /nfs/dbraw/zinc/11/40/16/384114016.db2.gz JAVMRYUQNRFNMQ-ZRDIBKRKSA-N 0 0 240.100 2.746 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H](C#N)Cc1ccccc1 ZINC000006882764 384138246 /nfs/dbraw/zinc/13/82/46/384138246.db2.gz PMCZSKSPRUQIOF-GFCCVEGCSA-N 0 0 246.310 2.646 10 30 BFEERN Cc1ccccc1[C@H](C)NC(=O)C(C)(C)C#N ZINC000044351180 384327320 /nfs/dbraw/zinc/32/73/20/384327320.db2.gz OPBACNIDWNECIA-NSHDSACASA-N 0 0 230.311 2.722 10 30 BFEERN CCCC=CC=C[C@H]1CCC(=O)C(=O)C1CO ZINC000514287865 384402744 /nfs/dbraw/zinc/40/27/44/384402744.db2.gz JSLMNXFCDHWCGJ-YMMJRAIESA-N 0 0 236.311 2.682 10 30 BFEERN Cc1c(F)ccc(C#N)c1OC(F)F ZINC000575661161 384415307 /nfs/dbraw/zinc/41/53/07/384415307.db2.gz KNNHQRAJMLYLCQ-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN Cc1ccc(F)c(CC#N)c1OC(F)F ZINC000575662009 384419007 /nfs/dbraw/zinc/41/90/07/384419007.db2.gz ZHCZLCNRAZMDHB-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN CC[C@@H](C)[C@@H](C)Nc1ccc([N+](=O)[O-])c(C#N)n1 ZINC000233861530 384422063 /nfs/dbraw/zinc/42/20/63/384422063.db2.gz NOOGFWBMSIKYGA-RKDXNWHRSA-N 0 0 248.286 2.708 10 30 BFEERN CC(C)(C)C(C)(C)C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000335617588 384389804 /nfs/dbraw/zinc/38/98/04/384389804.db2.gz RYKXWYMMXSMFPZ-MNOVXSKESA-N 0 0 236.359 2.867 10 30 BFEERN CCOc1c(O)cc(C(F)F)cc1CC#N ZINC000575666866 384437994 /nfs/dbraw/zinc/43/79/94/384437994.db2.gz NJHDWGFAGCWYKW-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN COc1cc(C)c(OC(F)F)cc1CC#N ZINC000575666407 384438508 /nfs/dbraw/zinc/43/85/08/384438508.db2.gz VFFBIRIWGLHLJC-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN CS/C=C/C[C@H](O)c1ccc(C#N)cc1 ZINC000033842658 384500695 /nfs/dbraw/zinc/50/06/95/384500695.db2.gz FHRSKJZVDRKHLR-NKWNXKNASA-N 0 0 219.309 2.858 10 30 BFEERN C[C@H]1CC[C@](O)(c2ccccc2C#N)C1 ZINC000521400572 384629541 /nfs/dbraw/zinc/62/95/41/384629541.db2.gz AZUXUMOKRPLQNO-GXFFZTMASA-N 0 0 201.269 2.566 10 30 BFEERN C/C=C\C(=O)c1cc(OC)c(C)cc1OC ZINC000100285486 384631151 /nfs/dbraw/zinc/63/11/51/384631151.db2.gz PFDBIEPVJRRKLR-WAYWQWQTSA-N 0 0 220.268 2.771 10 30 BFEERN Cc1cc(CC#N)c(Br)cc1F ZINC000575689562 384635106 /nfs/dbraw/zinc/63/51/06/384635106.db2.gz SBXQATAIYMVMOT-UHFFFAOYSA-N 0 0 228.064 2.963 10 30 BFEERN COc1cc(Br)cc(F)c1CC#N ZINC000575689242 384635134 /nfs/dbraw/zinc/63/51/34/384635134.db2.gz XHFDTDZRYQQPDU-UHFFFAOYSA-N 0 0 244.063 2.663 10 30 BFEERN Cc1cc(CC#N)c(Br)cc1O ZINC000575690805 384643037 /nfs/dbraw/zinc/64/30/37/384643037.db2.gz BRJFYAFSXSBJRU-UHFFFAOYSA-N 0 0 226.073 2.529 10 30 BFEERN FC(F)(F)c1ccc(C[C@@H]2CO2)cc1 ZINC000082164160 384648255 /nfs/dbraw/zinc/64/82/55/384648255.db2.gz NQWOVJJSRRUKGU-SECBINFHSA-N 0 0 202.175 2.647 10 30 BFEERN CCC[C@@H]1C[C@@H]1Nc1cc(C#N)cc(C)n1 ZINC000300394057 384657722 /nfs/dbraw/zinc/65/77/22/384657722.db2.gz YRAKTIJNRPOXMI-NEPJUHHUSA-N 0 0 215.300 2.862 10 30 BFEERN N#CCc1cc(N)cc(Br)c1Cl ZINC000575714155 384858311 /nfs/dbraw/zinc/85/83/11/384858311.db2.gz LZCLWOZSQAWYDY-UHFFFAOYSA-N 0 0 245.507 2.751 10 30 BFEERN CCc1cc(N)cc(CC#N)c1C(F)(F)F ZINC000575719248 384889324 /nfs/dbraw/zinc/88/93/24/384889324.db2.gz YNSMFMNBKJQKKQ-UHFFFAOYSA-N 0 0 228.217 2.916 10 30 BFEERN N#CCc1cc(N)c(OC(F)F)cc1Cl ZINC000575714826 384867045 /nfs/dbraw/zinc/86/70/45/384867045.db2.gz OAJWBOLSCMOWMY-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN Cc1cc(N)c(C(F)(F)F)c(CC#N)c1 ZINC000575719994 384894548 /nfs/dbraw/zinc/89/45/48/384894548.db2.gz QXZMWNYQAMJMAB-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN Cc1nc(CN[C@H]2CCCC[C@H]2C#N)cs1 ZINC000054826256 384896770 /nfs/dbraw/zinc/89/67/70/384896770.db2.gz ODLVLZSJQGFGPL-JQWIXIFHSA-N 0 0 235.356 2.624 10 30 BFEERN Cc1nc(CN[C@H]2CCC[C@@H]2C#N)sc1C ZINC000336145076 384922503 /nfs/dbraw/zinc/92/25/03/384922503.db2.gz PLWQBODVJPVNJW-MNOVXSKESA-N 0 0 235.356 2.542 10 30 BFEERN C=CCN(C)C(=O)NC1C2CC3CC(C2)CC1C3 ZINC000161316119 384967171 /nfs/dbraw/zinc/96/71/71/384967171.db2.gz LIAMBTKSLUCLNU-UHFFFAOYSA-N 0 0 248.370 2.639 10 30 BFEERN C=CCc1ccc(N)cc1OCC1CC1 ZINC000238638920 385260317 /nfs/dbraw/zinc/26/03/17/385260317.db2.gz WKOZTCTWAIPGSU-UHFFFAOYSA-N 0 0 203.285 2.786 10 30 BFEERN C#CC[C@@H](C)NC(=O)[C@@H]1CCCc2sccc21 ZINC000157745126 385271648 /nfs/dbraw/zinc/27/16/48/385271648.db2.gz JYSXRJDMZUBRIW-ZYHUDNBSSA-N 0 0 247.363 2.696 10 30 BFEERN O=C(C#Cc1ccccc1)c1cccs1 ZINC000015779993 385277826 /nfs/dbraw/zinc/27/78/26/385277826.db2.gz VFERYRUDILHJRR-UHFFFAOYSA-N 0 0 212.273 2.983 10 30 BFEERN Cc1cc(Oc2cccc(C#N)c2)ccc1NN ZINC000584598876 385467545 /nfs/dbraw/zinc/46/75/45/385467545.db2.gz QCCBNNLEOMQTEX-UHFFFAOYSA-N 0 0 239.278 2.945 10 30 BFEERN Cc1cc(N[C@@H](C)C(C)C)cc(C#N)n1 ZINC000308837031 385680577 /nfs/dbraw/zinc/68/05/77/385680577.db2.gz INAFLXAVDSWSCZ-JTQLQIEISA-N 0 0 203.289 2.718 10 30 BFEERN C=C(C)CNc1cc(C)nc(C)c1C#N ZINC000122758049 385767721 /nfs/dbraw/zinc/76/77/21/385767721.db2.gz BVBMVKTWIDBXIJ-UHFFFAOYSA-N 0 0 201.273 2.558 10 30 BFEERN O=C[C@@H]1CC[C@H](c2sccc2Cl)O1 ZINC000306817387 385806626 /nfs/dbraw/zinc/80/66/26/385806626.db2.gz DMHLACUXTNLHLC-POYBYMJQSA-N 0 0 216.689 2.821 10 30 BFEERN C[C@@H](Nc1cccc(F)c1C#N)[C@H]1CCCO1 ZINC000112011832 386184317 /nfs/dbraw/zinc/18/43/17/386184317.db2.gz HGNRBAYUXPLLCB-NOZJJQNGSA-N 0 0 234.274 2.677 10 30 BFEERN C[C@@H](S)c1cncc(Br)c1 ZINC000575570885 386136741 /nfs/dbraw/zinc/13/67/41/386136741.db2.gz XJSAAFCYIXMZIP-RXMQYKEDSA-N 0 0 218.119 2.835 10 30 BFEERN CC(C)(C)C#Cc1cc([N+](=O)[O-])ccc1N ZINC000091302039 386294124 /nfs/dbraw/zinc/29/41/24/386294124.db2.gz AITVBHIHNXNCSP-UHFFFAOYSA-N 0 0 218.256 2.575 10 30 BFEERN C=CC1CCN(C(=O)[C@H]2CCC[C@@H]2C)CC1 ZINC000335443794 386506278 /nfs/dbraw/zinc/50/62/78/386506278.db2.gz BVABCBAKKJWXNT-AAEUAGOBSA-N 0 0 221.344 2.847 10 30 BFEERN CCc1cc(OC(F)F)cc(C#N)c1CC#N ZINC000575639055 386558162 /nfs/dbraw/zinc/55/81/62/386558162.db2.gz COTUGQVAHDRHDO-UHFFFAOYSA-N 0 0 236.221 2.788 10 30 BFEERN Cc1cc(OC(F)F)c(CC#N)cc1C#N ZINC000575639282 386560895 /nfs/dbraw/zinc/56/08/95/386560895.db2.gz AGHJGSFWCRIFFK-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN CCc1noc(C)c1NC(=O)N1C[C@@H]2CCC[C@H]21 ZINC000328874276 386638583 /nfs/dbraw/zinc/63/85/83/386638583.db2.gz ZCZXKHWEXRDZEX-GXSJLCMTSA-N 0 0 249.314 2.575 10 30 BFEERN CCOC(=O)c1ccc(C(F)F)c(C#N)c1C ZINC000575343508 386691173 /nfs/dbraw/zinc/69/11/73/386691173.db2.gz BGLBSZQICYBXBO-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN CCOC(=O)c1ccc(C(F)F)c(C)c1C#N ZINC000575343532 386692330 /nfs/dbraw/zinc/69/23/30/386692330.db2.gz FLCQWSMJQDXLEX-UHFFFAOYSA-N 0 0 239.221 2.981 10 30 BFEERN COC(=O)c1cc(F)c(C(F)(F)F)c(C#N)c1 ZINC000575344908 386711781 /nfs/dbraw/zinc/71/17/81/386711781.db2.gz IHDZBYVLKLGLGE-UHFFFAOYSA-N 0 0 247.147 2.503 10 30 BFEERN CC1(C)C[C@@H]1c1noc(-c2ccc(C#N)cn2)n1 ZINC000232888563 386742351 /nfs/dbraw/zinc/74/23/51/386742351.db2.gz ZJOZBIIYVPRICT-SECBINFHSA-N 0 0 240.266 2.517 10 30 BFEERN CCOC(=O)c1cc(CC)c(C#N)c(CC)c1 ZINC000575385596 386945381 /nfs/dbraw/zinc/94/53/81/386945381.db2.gz NYCBDQWJDFMNNB-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)c1cc(C#N)cc(CC)c1CC ZINC000575385602 386945508 /nfs/dbraw/zinc/94/55/08/386945508.db2.gz PWXBQJOBOXWPHN-UHFFFAOYSA-N 0 0 231.295 2.860 10 30 BFEERN CCOC(=O)Cc1cc(C#N)c(CC)cc1C ZINC000575388968 386953396 /nfs/dbraw/zinc/95/33/96/386953396.db2.gz NPJBDLFOMNTIGX-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCc1ccc(C(=O)OC)c(C(F)F)c1C#N ZINC000575389873 386954049 /nfs/dbraw/zinc/95/40/49/386954049.db2.gz SHWPEXDFZLEMIE-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCc1c(C#N)cc(C(F)F)cc1C(=O)OC ZINC000575389760 386954150 /nfs/dbraw/zinc/95/41/50/386954150.db2.gz QCLMKLGSUVHOFJ-UHFFFAOYSA-N 0 0 239.221 2.845 10 30 BFEERN CCOC(=O)c1cc(F)c(C#N)c(C(F)F)c1 ZINC000575389733 386955009 /nfs/dbraw/zinc/95/50/09/386955009.db2.gz NUFDURRVKCDNDJ-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)c1cc(C#N)c(F)c(C(F)F)c1 ZINC000575389757 386955072 /nfs/dbraw/zinc/95/50/72/386955072.db2.gz PVEIGOZERRPBPY-UHFFFAOYSA-N 0 0 243.184 2.812 10 30 BFEERN CCOC(=O)Cc1c(C#N)ccc([S-])c1CC ZINC000575387954 386958300 /nfs/dbraw/zinc/95/83/00/386958300.db2.gz ACHWSIGTBILBRJ-UHFFFAOYSA-N 0 0 249.335 2.515 10 30 BFEERN COC(=O)c1ccc(C)c(C#N)c1C(F)(F)F ZINC000575394314 386991563 /nfs/dbraw/zinc/99/15/63/386991563.db2.gz CHZPZUZLXJCCRP-UHFFFAOYSA-N 0 0 243.184 2.672 10 30 BFEERN CN(C)c1cc(CC#N)cc(OC(F)(F)F)c1 ZINC000575397005 387002403 /nfs/dbraw/zinc/00/24/03/387002403.db2.gz PHZZBVYFMXENOV-UHFFFAOYSA-N 0 0 244.216 2.717 10 30 BFEERN CCOC(=O)Cc1c(C)cc(CC)cc1C#N ZINC000575388759 386951228 /nfs/dbraw/zinc/95/12/28/386951228.db2.gz DBOYGOFWQJRBBK-UHFFFAOYSA-N 0 0 231.295 2.535 10 30 BFEERN CCOc1c(C#N)ccc(OC(F)F)c1F ZINC000575655087 387035794 /nfs/dbraw/zinc/03/57/94/387035794.db2.gz HOBWXKJMMAOXLP-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1cc(OC(F)F)c(C#N)cc1F ZINC000575654987 387038042 /nfs/dbraw/zinc/03/80/42/387038042.db2.gz GKWNBPMJMKKCBL-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1cc(F)c(OC(F)F)c(C#N)c1 ZINC000575654628 387038487 /nfs/dbraw/zinc/03/84/87/387038487.db2.gz CMIFUFUWEZJMLB-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCOc1cc(OC(F)F)cc(C#N)c1C ZINC000575656700 387041857 /nfs/dbraw/zinc/04/18/57/387041857.db2.gz JORJIHBYEBJCPE-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN CCc1cc(OC(F)F)c(CC#N)cc1OC ZINC000575656570 387042595 /nfs/dbraw/zinc/04/25/95/387042595.db2.gz HTKYCLRNBNCHOP-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCOc1cc(OC(F)F)c(CC#N)cc1F ZINC000575656897 387043909 /nfs/dbraw/zinc/04/39/09/387043909.db2.gz PPGKQPHEANLAEC-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCOc1cc(C#N)cc(OC(F)F)c1F ZINC000575657575 387045293 /nfs/dbraw/zinc/04/52/93/387045293.db2.gz XTAGBABFWKFORY-UHFFFAOYSA-N 0 0 231.173 2.697 10 30 BFEERN CCc1c(C#N)c([N+](=O)[O-])ccc1OC(F)F ZINC000575659400 387045755 /nfs/dbraw/zinc/04/57/55/387045755.db2.gz LQKMZZUBWUCGDU-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN CCOc1cc(F)cc(OC(F)F)c1CC#N ZINC000575657882 387046002 /nfs/dbraw/zinc/04/60/02/387046002.db2.gz XAKNTQGVVMYKBP-UHFFFAOYSA-N 0 0 245.200 2.892 10 30 BFEERN CCc1ccc(OC(F)F)c(OC)c1CC#N ZINC000575658206 387046378 /nfs/dbraw/zinc/04/63/78/387046378.db2.gz QMPQPBUJPYNYDV-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCc1cc(C#N)c(OC(F)F)cc1[N+](=O)[O-] ZINC000575659606 387047115 /nfs/dbraw/zinc/04/71/15/387047115.db2.gz NTILEKYCVYGSGL-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN CCc1c(C#N)ccc([N+](=O)[O-])c1OC(F)F ZINC000575658952 387047518 /nfs/dbraw/zinc/04/75/18/387047518.db2.gz JXQSPNGBSBHLOC-UHFFFAOYSA-N 0 0 242.181 2.630 10 30 BFEERN COc1cc(F)cc(OC(F)F)c1CC#N ZINC000575659108 387049231 /nfs/dbraw/zinc/04/92/31/387049231.db2.gz BKQLGMAXUNZIJL-UHFFFAOYSA-N 0 0 231.173 2.502 10 30 BFEERN CCOc1cc(C)cc(C#N)c1OC(F)F ZINC000575659143 387049626 /nfs/dbraw/zinc/04/96/26/387049626.db2.gz ZDUGLQDIDJAQFJ-UHFFFAOYSA-N 0 0 227.210 2.867 10 30 BFEERN Cc1cc(CC#N)cc(F)c1OC(F)F ZINC000575661054 387050457 /nfs/dbraw/zinc/05/04/57/387050457.db2.gz HCHUOINQZHRICM-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN Cc1ccc(OC(F)F)c(F)c1CC#N ZINC000575660991 387052615 /nfs/dbraw/zinc/05/26/15/387052615.db2.gz FYOCRFLSCMWQPJ-UHFFFAOYSA-N 0 0 215.174 2.802 10 30 BFEERN C#Cc1sc2nccc(C(C)C)c2c1N ZINC000575434459 387057981 /nfs/dbraw/zinc/05/79/81/387057981.db2.gz ZMWQBRJIGXDITP-UHFFFAOYSA-N 0 0 216.309 2.983 10 30 BFEERN C#Cc1sc2nc(C)c(C)c(C)c2c1N ZINC000575434420 387058250 /nfs/dbraw/zinc/05/82/50/387058250.db2.gz WLCOJXBOEICKDX-UHFFFAOYSA-N 0 0 216.309 2.785 10 30 BFEERN Cc1cc(OC(F)F)c(C#N)cc1F ZINC000575661158 387063386 /nfs/dbraw/zinc/06/33/86/387063386.db2.gz KJQWQXIAEWAIPD-UHFFFAOYSA-N 0 0 201.147 2.607 10 30 BFEERN CCCCOC(=O)[C@@H]1O[C@]1(C)c1ccccc1 ZINC000032168634 387072771 /nfs/dbraw/zinc/07/27/71/387072771.db2.gz AWOJEIWMCLENLY-GXTWGEPZSA-N 0 0 234.295 2.644 10 30 BFEERN C/C=C/C(=O)c1cc(N)ccc1Br ZINC000575467408 387078298 /nfs/dbraw/zinc/07/82/98/387078298.db2.gz XRVCVCUQYVSGTJ-NSCUHMNNSA-N 0 0 240.100 2.790 10 30 BFEERN C=C(Cl)CN1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000246365881 387078926 /nfs/dbraw/zinc/07/89/26/387078926.db2.gz XWGAGOWSFCDFHJ-ZYHUDNBSSA-N 0 0 239.750 2.519 10 30 BFEERN C=C1C(=O)O[C@@H]2C[C@H]3CCCC(=C)[C@@H]3C[C@H]12 ZINC000071789562 387114630 /nfs/dbraw/zinc/11/46/30/387114630.db2.gz NRZQOGGLSCASSP-YVECIDJPSA-N 0 0 218.296 2.851 10 30 in-vivo BFEERN C=C[C@@H](O)c1ccc(OC)cc1C(F)(F)F ZINC000536950602 387162359 /nfs/dbraw/zinc/16/23/59/387162359.db2.gz PWXXZGATUWWQEQ-SNVBAGLBSA-N 0 0 232.201 2.933 10 30 BFEERN Cc1cccc(C)c1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000230227486 387250590 /nfs/dbraw/zinc/25/05/90/387250590.db2.gz QVJJYNDOWBKKQD-STQMWFEESA-N 0 0 242.322 2.726 10 30 BFEERN N#CCc1cc(C(F)F)cc(F)c1O ZINC000575666066 387311650 /nfs/dbraw/zinc/31/16/50/387311650.db2.gz BOLKPVZGUNXVOS-UHFFFAOYSA-N 0 0 201.147 2.535 10 30 BFEERN COc1c(CC#N)cc(C)cc1OC(F)F ZINC000575664615 387311685 /nfs/dbraw/zinc/31/16/85/387311685.db2.gz JRQFYYXQAWDWJR-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN COc1c(C)c(CC#N)ccc1OC(F)F ZINC000575665804 387313954 /nfs/dbraw/zinc/31/39/54/387313954.db2.gz UOBCQOXHCYNLLO-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN COc1ccc(C)c(OC(F)F)c1CC#N ZINC000575664237 387289169 /nfs/dbraw/zinc/28/91/69/387289169.db2.gz DUCULHXNLXYQNT-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN COc1cc(OC(F)F)cc(CC#N)c1C ZINC000575664445 387290732 /nfs/dbraw/zinc/29/07/32/387290732.db2.gz FNVAQKPVXWCRBJ-UHFFFAOYSA-N 0 0 227.210 2.671 10 30 BFEERN N#CCc1ccc(O)c(Br)c1Cl ZINC000575676166 387357307 /nfs/dbraw/zinc/35/73/07/387357307.db2.gz QMHIJLMLLBQRGG-UHFFFAOYSA-N 0 0 246.491 2.874 10 30 BFEERN Cc1cc(C#N)nn1C[C@H]1C[C@H]1c1ccccc1 ZINC000575601465 387360013 /nfs/dbraw/zinc/36/00/13/387360013.db2.gz BAHZANVDLSTZCQ-HIFRSBDPSA-N 0 0 237.306 2.867 10 30 BFEERN C=CCOc1ccc2nc(C(=O)OC)sc2c1 ZINC000575601983 387368872 /nfs/dbraw/zinc/36/88/72/387368872.db2.gz CDZPEDDHBBKZOF-UHFFFAOYSA-N 0 0 249.291 2.648 10 30 BFEERN CCCC1CC(Cn2ccc(C#N)n2)C1 ZINC000575601831 387369106 /nfs/dbraw/zinc/36/91/06/387369106.db2.gz FGRWYORRVCYZER-UHFFFAOYSA-N 0 0 203.289 2.581 10 30 BFEERN Cc1ccc(C#N)c(Br)c1C ZINC000575687599 387373426 /nfs/dbraw/zinc/37/34/26/387373426.db2.gz KOMHDSYTLDGMCU-UHFFFAOYSA-N 0 0 210.074 2.938 10 30 BFEERN CCOc1cc(CC#N)cc(O)c1C(F)F ZINC000575666913 387319720 /nfs/dbraw/zinc/31/97/20/387319720.db2.gz NSXRIRMWXLKKQQ-UHFFFAOYSA-N 0 0 227.210 2.795 10 30 BFEERN Cc1cc(OC(F)F)cc(CC#N)c1[N+](=O)[O-] ZINC000575667054 387320827 /nfs/dbraw/zinc/32/08/27/387320827.db2.gz KEVWPROHGBFNSV-UHFFFAOYSA-N 0 0 242.181 2.571 10 30 BFEERN N#Cc1cc(C(F)F)c(F)c([N+](=O)[O-])c1 ZINC000575669876 387331683 /nfs/dbraw/zinc/33/16/83/387331683.db2.gz RFMXWJUVGYETRC-UHFFFAOYSA-N 0 0 216.118 2.543 10 30 BFEERN CCOc1c(F)cc(C#N)cc1OC(F)(F)F ZINC000575670053 387332876 /nfs/dbraw/zinc/33/28/76/387332876.db2.gz DSQYFKIGARBPCR-UHFFFAOYSA-N 0 0 249.163 2.995 10 30 BFEERN Cc1c(C#N)cc([N+](=O)[O-])cc1C(F)F ZINC000575672253 387337669 /nfs/dbraw/zinc/33/76/69/387337669.db2.gz VTSHWKYQMXFVLF-UHFFFAOYSA-N 0 0 212.155 2.713 10 30 BFEERN CCOc1c(O)cc(C#N)cc1C(F)(F)F ZINC000575671095 387338273 /nfs/dbraw/zinc/33/82/73/387338273.db2.gz UDAZZKANMWNULJ-UHFFFAOYSA-N 0 0 231.173 2.681 10 30 BFEERN CCc1cc(C#N)c(C(F)(F)F)cc1O ZINC000575673001 387339699 /nfs/dbraw/zinc/33/96/99/387339699.db2.gz XZQKEPHSIYLRHS-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN CCc1cc(O)c(C#N)cc1C(F)(F)F ZINC000575672824 387340146 /nfs/dbraw/zinc/34/01/46/387340146.db2.gz PIJSJJXPTYXFSO-UHFFFAOYSA-N 0 0 215.174 2.845 10 30 BFEERN COc1ccc(C#N)c(OC)c1C(F)(F)F ZINC000575671866 387341780 /nfs/dbraw/zinc/34/17/80/387341780.db2.gz QHYVIRYLTNSIQV-UHFFFAOYSA-N 0 0 231.173 2.594 10 30 BFEERN Cc1cc(CC#N)cc([N+](=O)[O-])c1C(F)(F)F ZINC000575673786 387343289 /nfs/dbraw/zinc/34/32/89/387343289.db2.gz NRMZJTYXJSHJMR-UHFFFAOYSA-N 0 0 244.172 2.988 10 30 BFEERN N#CCc1cc(Cl)c(N)cc1Cl ZINC000575716129 387432068 /nfs/dbraw/zinc/43/20/68/387432068.db2.gz LOTQFCPZPFUPGN-UHFFFAOYSA-N 0 0 201.056 2.642 10 30 BFEERN Cc1cc(CC#N)c(N)c(C(F)(F)F)c1 ZINC000575720464 387441413 /nfs/dbraw/zinc/44/14/13/387441413.db2.gz WVTUCOQTHLDAIH-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN Cc1c(N)ccc(CC#N)c1C(F)(F)F ZINC000575720579 387443106 /nfs/dbraw/zinc/44/31/06/387443106.db2.gz ZNQBSPCOMTVBGN-UHFFFAOYSA-N 0 0 214.190 2.662 10 30 BFEERN N#CCc1cc(N)c(OC(F)F)c(Cl)c1 ZINC000575714215 387418414 /nfs/dbraw/zinc/41/84/14/387418414.db2.gz FANCJOFSZKPZTD-UHFFFAOYSA-N 0 0 232.617 2.590 10 30 BFEERN CCOc1cc(N)c(CC#N)cc1C(F)(F)F ZINC000575718094 387423030 /nfs/dbraw/zinc/42/30/30/387423030.db2.gz PJHVMEXCYYEEPA-UHFFFAOYSA-N 0 0 244.216 2.752 10 30 BFEERN N#Cc1ccc(O)cc1OCc1ccccc1 ZINC000584599697 387501240 /nfs/dbraw/zinc/50/12/40/387501240.db2.gz PXEACRKMBRIXEU-UHFFFAOYSA-N 0 0 225.247 2.843 10 30 BFEERN CC=CC(=O)[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000575548151 387644422 /nfs/dbraw/zinc/64/44/22/387644422.db2.gz ARCMAYVDACKHIM-TWFYULLRSA-N 0 0 216.371 2.757 10 30 BFEERN C[C@H]1CCC[C@@H]1C(=O)Nc1ccc(C#N)cc1 ZINC000230041894 387655071 /nfs/dbraw/zinc/65/50/71/387655071.db2.gz IMLQGOGVFFZZAB-GWCFXTLKSA-N 0 0 228.295 2.933 10 30 BFEERN CC#CC[NH2+][C@H](C)c1ccc(C)cc1C ZINC000161990875 387758396 /nfs/dbraw/zinc/75/83/96/387758396.db2.gz ILVHAOJQRZFGDP-CYBMUJFWSA-N 0 0 201.313 2.977 10 30 BFEERN CCOc1cc(CC#N)c(C#N)c(C(F)F)c1 ZINC000575640029 387838225 /nfs/dbraw/zinc/83/82/25/387838225.db2.gz FDWHULWFIDESCU-UHFFFAOYSA-N 0 0 236.221 2.961 10 30 BFEERN Cc1cc(CC#N)cc(C#N)c1OC(F)F ZINC000575642133 387846360 /nfs/dbraw/zinc/84/63/60/387846360.db2.gz YAUZWLKLBWFJNX-UHFFFAOYSA-N 0 0 222.194 2.534 10 30 BFEERN Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C#N)cc1C ZINC000061888848 387848857 /nfs/dbraw/zinc/84/88/57/387848857.db2.gz WGGSHDVCMYWNIL-KGLIPLIRSA-N 0 0 242.322 2.726 10 30 BFEERN N#C[C@H]1CCC[C@H]1NC(=O)c1cccc(Cl)c1 ZINC000061888631 387848943 /nfs/dbraw/zinc/84/89/43/387848943.db2.gz HRCCTXDPPQYUDT-ZYHUDNBSSA-N 0 0 248.713 2.762 10 30 BFEERN COc1cc(C#N)c(CC#N)c(C(F)F)c1 ZINC000575643154 387866467 /nfs/dbraw/zinc/86/64/67/387866467.db2.gz LOQCHOUMPUSAEL-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN COc1cc(C#N)c(C(F)F)c(CC#N)c1 ZINC000575642928 387866767 /nfs/dbraw/zinc/86/67/67/387866767.db2.gz KTTDUTGCRHNJNZ-UHFFFAOYSA-N 0 0 222.194 2.571 10 30 BFEERN CCOc1c(CC)cc(C#N)cc1CC#N ZINC000575643752 387868940 /nfs/dbraw/zinc/86/89/40/387868940.db2.gz TYRZGFUZKILPPG-UHFFFAOYSA-N 0 0 214.268 2.585 10 30 BFEERN COc1c(CC#N)ccc(C#N)c1C(F)(F)F ZINC000575648308 387892856 /nfs/dbraw/zinc/89/28/56/387892856.db2.gz OUABGRBIJTXGEX-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN CCc1ccc(OC(F)F)c(C#N)c1F ZINC000575653285 387894186 /nfs/dbraw/zinc/89/41/86/387894186.db2.gz DMLIWFAKXUDUON-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN Cc1cc(CC#N)c(OC(F)F)cc1C ZINC000575653152 387894466 /nfs/dbraw/zinc/89/44/66/387894466.db2.gz YHWKCYWDMVMESB-UHFFFAOYSA-N 0 0 211.211 2.971 10 30 BFEERN CCc1cc(F)cc(OC(F)F)c1C#N ZINC000575653991 387897238 /nfs/dbraw/zinc/89/72/38/387897238.db2.gz SKOXTINBDJTLAB-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN N#CCc1cc(C(F)(F)F)c(F)cc1C#N ZINC000575644838 387876106 /nfs/dbraw/zinc/87/61/06/387876106.db2.gz CLYWAJFSFDZUKJ-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN N#CCc1ccc(C(F)(F)F)c(C#N)c1F ZINC000575645987 387877748 /nfs/dbraw/zinc/87/77/48/387877748.db2.gz HNEWPIDMQICGDO-UHFFFAOYSA-N 0 0 228.148 2.782 10 30 BFEERN COc1cc(C(F)(F)F)cc(CC#N)c1C#N ZINC000575646244 387879400 /nfs/dbraw/zinc/87/94/00/387879400.db2.gz FVRWCPYGXXYXMR-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN N#CCc1c(F)cc(OC(F)(F)F)cc1C#N ZINC000575647806 387883126 /nfs/dbraw/zinc/88/31/26/387883126.db2.gz NSVLBBFWQAAACN-UHFFFAOYSA-N 0 0 244.147 2.662 10 30 BFEERN COc1ccc(C#N)c(C(F)(F)F)c1CC#N ZINC000575649755 387888058 /nfs/dbraw/zinc/88/80/58/387888058.db2.gz UGYXVRAFBIILLF-UHFFFAOYSA-N 0 0 240.184 2.652 10 30 BFEERN Cc1cc(C)c(C#N)c(N2CCS[C@@H](C)C2)n1 ZINC000134340761 388398122 /nfs/dbraw/zinc/39/81/22/388398122.db2.gz VOQXWMZBMHXULR-NSHDSACASA-N 0 0 247.367 2.512 10 30 BFEERN COC(=O)[C@H](C#N)c1c(Cl)cccc1Cl ZINC000071624715 388445025 /nfs/dbraw/zinc/44/50/25/388445025.db2.gz WBXLYMPVQDURMA-ZCFIWIBFSA-N 0 0 244.077 2.774 10 30 BFEERN CCc1cc(F)c(OC(F)F)cc1C#N ZINC000575654141 388474922 /nfs/dbraw/zinc/47/49/22/388474922.db2.gz VWKSSGRBGMKIGL-UHFFFAOYSA-N 0 0 215.174 2.861 10 30 BFEERN Cc1nnc([C@@H](C)Nc2ccc(C#N)cc2)s1 ZINC000273475035 388606538 /nfs/dbraw/zinc/60/65/38/388606538.db2.gz JGGGUBURWYEENQ-MRVPVSSYSA-N 0 0 244.323 2.891 10 30 BFEERN C[C@@H]1CCC[C@]1(O)c1ccccc1C#N ZINC000521401507 388672405 /nfs/dbraw/zinc/67/24/05/388672405.db2.gz IQHJMOKJXKFJBL-ZWNOBZJWSA-N 0 0 201.269 2.566 10 30 BFEERN Cn1c2cc(C#N)ccc2nc1-c1cccnc1 ZINC000113880668 388678770 /nfs/dbraw/zinc/67/87/70/388678770.db2.gz BPCKZKZKYZAICE-UHFFFAOYSA-N 0 0 234.262 2.507 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000230042414 388632489 /nfs/dbraw/zinc/63/24/89/388632489.db2.gz GODFIBCCHGLBEL-MFKMUULPSA-N 0 0 228.295 2.933 10 30 BFEERN Cc1nc(Cl)c(C#N)c2c1C=CCC2 ZINC000075605306 388661013 /nfs/dbraw/zinc/66/10/13/388661013.db2.gz YFFBKRMQHQPXRN-UHFFFAOYSA-N 0 0 204.660 2.875 10 30 BFEERN C#CCNc1ccc(F)c(Br)c1F ZINC000575482832 388865267 /nfs/dbraw/zinc/86/52/67/388865267.db2.gz DHPCEOMUMBABAP-UHFFFAOYSA-N 0 0 246.054 2.772 10 30 BFEERN C[C@@H]1CC[C@](C#N)(NC(=O)OC(C)(C)C)C1 ZINC000575496104 388967232 /nfs/dbraw/zinc/96/72/32/388967232.db2.gz IVPBBHACHIMUJM-SKDRFNHKSA-N 0 0 224.304 2.593 10 30 BFEERN Cc1ccc2c(c1)CCCN2CCC#N ZINC000019484992 132325548 /nfs/dbraw/zinc/32/55/48/132325548.db2.gz QGIFCSWTGJLCQR-UHFFFAOYSA-N 0 0 200.285 2.661 10 30 BFEERN Cc1cccc(N2CCCCC2)c1C#N ZINC000039104894 132346368 /nfs/dbraw/zinc/34/63/68/132346368.db2.gz VLOSMMYKJUSPOU-UHFFFAOYSA-N 0 0 200.285 2.857 10 30 BFEERN Cc1ccc2c(c1)CC[C@H]1CC(=O)C=CN21 ZINC000000022625 132312416 /nfs/dbraw/zinc/31/24/16/132312416.db2.gz AJJNTDGBWHZORI-LBPRGKRZSA-N 0 0 213.280 2.603 10 30 BFEERN Cc1ccc2c(c1)CC[C@H]1[C@@H](C)C(=O)C=CN21 ZINC000003950301 132316156 /nfs/dbraw/zinc/31/61/56/132316156.db2.gz WCPYNROBHCBVBH-YPMHNXCESA-N 0 0 227.307 2.849 10 30 BFEERN CCCO[C@@H]1CCCN(c2ccc(C#N)cc2)C1 ZINC000042425010 132351686 /nfs/dbraw/zinc/35/16/86/132351686.db2.gz KFKZUFAGTOBTDZ-OAHLLOKOSA-N 0 0 244.338 2.954 10 30 BFEERN Cc1ccc2c(c1)CCCN2[C@H](C)C#N ZINC000047874167 132355275 /nfs/dbraw/zinc/35/52/75/132355275.db2.gz HBGNLQKBIRMNAJ-LLVKDONJSA-N 0 0 200.285 2.660 10 30 BFEERN N#Cc1cccc(N2[C@@H]3CCC[C@H]2CC(=O)C3)c1 ZINC000054600817 132364872 /nfs/dbraw/zinc/36/48/72/132364872.db2.gz XDUUSMFHJMERQA-OKILXGFUSA-N 0 0 240.306 2.649 10 30 BFEERN Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C#N)c1F ZINC000161616756 133514541 /nfs/dbraw/zinc/51/45/41/133514541.db2.gz HWTICHSSJGDLDH-PWSUYJOCSA-N 0 0 246.285 2.556 10 30 BFEERN C=CCOc1cccc(NC(=O)N[C@@H]2C[C@@H]2C)c1 ZINC000076035580 133655392 /nfs/dbraw/zinc/65/53/92/133655392.db2.gz IYDHGRPPLBOORR-GXFFZTMASA-N 0 0 246.310 2.781 10 30 BFEERN CCC1CCN(C(=O)N[C@H]2CCC[C@H]2C#N)CC1 ZINC000334646357 133722634 /nfs/dbraw/zinc/72/26/34/133722634.db2.gz PDKVQTCEQAUZOO-STQMWFEESA-N 0 0 249.358 2.510 10 30 BFEERN Cc1cnc([C@@H](C)NCc2cccc(C#N)c2)o1 ZINC000220906778 134315213 /nfs/dbraw/zinc/31/52/13/134315213.db2.gz YMAALSQYTVQQAH-LLVKDONJSA-N 0 0 241.294 2.706 10 30 BFEERN C=C(C)CN(C)C(=O)[C@H]1Oc2ccccc2[C@@H]1C ZINC000180434288 134327403 /nfs/dbraw/zinc/32/74/03/134327403.db2.gz LTPHNMDTJKWFKT-FZMZJTMJSA-N 0 0 245.322 2.586 10 30 BFEERN C[C@H](C#N)N1CC=C(c2cccs2)CC1 ZINC000181894569 134340235 /nfs/dbraw/zinc/34/02/35/134340235.db2.gz DYWPIVWLTDJVTB-SNVBAGLBSA-N 0 0 218.325 2.749 10 30 BFEERN C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(C#N)c1 ZINC000230042417 134478913 /nfs/dbraw/zinc/47/89/13/134478913.db2.gz GODFIBCCHGLBEL-GWCFXTLKSA-N 0 0 228.295 2.933 10 30 BFEERN C[C@@H](C#N)N1CC=C(c2ccccc2F)CC1 ZINC000127471677 134611129 /nfs/dbraw/zinc/61/11/29/134611129.db2.gz ZTNRXXBNSRAMEZ-NSHDSACASA-N 0 0 230.286 2.827 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)c1ccccc1Cl ZINC000061888368 134803345 /nfs/dbraw/zinc/80/33/45/134803345.db2.gz YJFQKBFWTBNVTE-SKDRFNHKSA-N 0 0 248.713 2.762 10 30 BFEERN Cc1ccc([C@@H](C)NC(=O)NCCCCC#N)o1 ZINC000171738748 134883923 /nfs/dbraw/zinc/88/39/23/134883923.db2.gz ZCBSJFWUUIRHON-LLVKDONJSA-N 0 0 249.314 2.642 10 30 BFEERN C[C@H](C#N)N1CCC[C@]2(CC=CCC2)C1 ZINC000248447872 135010560 /nfs/dbraw/zinc/01/05/60/135010560.db2.gz HOOKUPLTYMQLSM-CHWSQXEVSA-N 0 0 204.317 2.721 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1ccc(Cl)cn1 ZINC000335285256 136002293 /nfs/dbraw/zinc/00/22/93/136002293.db2.gz SISSDTPUDMQIHB-JOYOIKCWSA-N 0 0 235.718 2.517 10 30 BFEERN CC(C)CCOCc1ccc(C#CCO)cc1 ZINC000049620653 166877901 /nfs/dbraw/zinc/87/79/01/166877901.db2.gz HNVFAIXXOQMYFR-UHFFFAOYSA-N 0 0 232.323 2.593 10 30 BFEERN COc1ccc2cccc(OC[C@@H]3CO3)c2c1 ZINC000196144971 397951639 /nfs/dbraw/zinc/95/16/39/397951639.db2.gz UUEGSIWXUXDGPA-LBPRGKRZSA-N 0 0 230.263 2.626 10 30 BFEERN CC=C=CC(=O)c1ncsc1Br ZINC000575478751 397957509 /nfs/dbraw/zinc/95/75/09/397957509.db2.gz BTFHECCBTNYRJI-UHFFFAOYSA-N 0 0 244.113 2.502 10 30 BFEERN Cc1cc(Br)c([N+](=O)[O-])c(C#N)c1 ZINC000307175306 398004847 /nfs/dbraw/zinc/00/48/47/398004847.db2.gz VUAKMDUWFKCCNL-UHFFFAOYSA-N 0 0 241.044 2.537 10 30 BFEERN C=CCc1cc(C)c2c(c1O)/C(=N/O)CC2 ZINC000309059184 398065365 /nfs/dbraw/zinc/06/53/65/398065365.db2.gz VYDACDXSNHGMFG-SDNWHVSQSA-N 0 0 217.268 2.554 10 30 BFEERN CC1=CC(=O)c2[nH]c3c(cccc3F)c2C1=O ZINC000584616426 398078364 /nfs/dbraw/zinc/07/83/64/398078364.db2.gz HFKPFAUDDQVYBL-UHFFFAOYSA-N 0 0 229.210 2.632 10 30 BFEERN CC(=O)C([N+]#N)=C([O-])Oc1ccc(C)cc1 ZINC000584645927 398085728 /nfs/dbraw/zinc/08/57/28/398085728.db2.gz GTZYPMZXJWJYOD-UHFFFAOYSA-O 0 0 219.220 2.543 10 30 BFEERN CCc1c(CC#N)ccc(OC)c1OC(F)F ZINC000575656106 398051880 /nfs/dbraw/zinc/05/18/80/398051880.db2.gz FQJAFQQPPBCBDP-UHFFFAOYSA-N 0 0 241.237 2.925 10 30 BFEERN CCc1cc(O)c(CC#N)cc1OC(F)F ZINC000575656199 398051969 /nfs/dbraw/zinc/05/19/69/398051969.db2.gz PVMHCRGYLYFHLG-UHFFFAOYSA-N 0 0 227.210 2.622 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1c(F)cccc1F ZINC000061891086 398107572 /nfs/dbraw/zinc/10/75/72/398107572.db2.gz STDOXWUPIPTMGJ-ZANVPECISA-N 0 0 236.265 2.747 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1cccc(F)c1 ZINC000061889432 398107774 /nfs/dbraw/zinc/10/77/74/398107774.db2.gz LYFUGFFTHPHSOP-SKDRFNHKSA-N 0 0 247.273 2.639 10 30 BFEERN Cc1cc(CN[C@H]2CCC[C@@H]2C#N)ccc1F ZINC000061892571 398107956 /nfs/dbraw/zinc/10/79/56/398107956.db2.gz RWISAHXAESKNAM-OCCSQVGLSA-N 0 0 232.302 2.916 10 30 BFEERN N#C[C@H]1CCC[C@@H]1NC(=O)Nc1ccc(F)cc1 ZINC000061889336 398108022 /nfs/dbraw/zinc/10/80/22/398108022.db2.gz MOUFCEAQDJCBAP-SKDRFNHKSA-N 0 0 247.273 2.639 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NCc1c(F)cccc1F ZINC000061891085 398108248 /nfs/dbraw/zinc/10/82/48/398108248.db2.gz STDOXWUPIPTMGJ-TVQRCGJNSA-N 0 0 236.265 2.747 10 30 BFEERN CC(C)Nc1c(C#N)cnc2ccccc21 ZINC000037413138 167142288 /nfs/dbraw/zinc/14/22/88/167142288.db2.gz VSBHCSZZUBGNFZ-UHFFFAOYSA-N 0 0 211.268 2.927 10 30 BFEERN CC(C)OCCOCc1ccc(C#N)cc1F ZINC000019480334 167248166 /nfs/dbraw/zinc/24/81/66/167248166.db2.gz KOOCZSAJXAHXOM-UHFFFAOYSA-N 0 0 237.274 2.639 10 30 BFEERN C#CCCN1CCCC[C@H]1c1nccs1 ZINC000270649920 166136428 /nfs/dbraw/zinc/13/64/28/166136428.db2.gz TUQSPTZAILVLCX-NSHDSACASA-N 0 0 220.341 2.693 10 30 BFEERN C#CCN[C@@H](C)c1ccccc1Br ZINC000019875493 166191211 /nfs/dbraw/zinc/19/12/11/166191211.db2.gz KIMSQOPNTPBCKA-VIFPVBQESA-N 0 0 238.128 2.733 10 30 BFEERN C#CCN[C@@H](c1ccco1)c1ccccc1 ZINC000019875625 166192595 /nfs/dbraw/zinc/19/25/95/166192595.db2.gz LNISDKYQXJOICD-CQSZACIVSA-N 0 0 211.264 2.592 10 30 BFEERN C#C[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000095774755 166212273 /nfs/dbraw/zinc/21/22/73/166212273.db2.gz NSTYAOIOBURIDL-ZDUSSCGKSA-N 0 0 245.322 2.756 10 30 BFEERN C#C[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000095828692 166214208 /nfs/dbraw/zinc/21/42/08/166214208.db2.gz UAXNBQPQXSMBDC-MNOVXSKESA-N 0 0 223.316 2.703 10 30 BFEERN C#C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000039093612 166218525 /nfs/dbraw/zinc/21/85/25/166218525.db2.gz CMYNZXXEAUNNLO-SNVBAGLBSA-N 0 0 211.305 2.559 10 30 BFEERN C#C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C ZINC000036406114 166218863 /nfs/dbraw/zinc/21/88/63/166218863.db2.gz NSTYAOIOBURIDL-CYBMUJFWSA-N 0 0 245.322 2.756 10 30 BFEERN C=CCN(C(=O)c1ccccc1N)C1CCCC1 ZINC000034546975 166312810 /nfs/dbraw/zinc/31/28/10/166312810.db2.gz YANCSGBTFYCBML-UHFFFAOYSA-N 0 0 244.338 2.840 10 30 BFEERN C=CCNC(=O)c1ccc(N[C@H](C)CC)cc1 ZINC000037783575 166393996 /nfs/dbraw/zinc/39/39/96/166393996.db2.gz LVKBRSLXLWRBNO-LLVKDONJSA-N 0 0 232.327 2.813 10 30 BFEERN C=CCOc1ccc(/C=C/C(C)=O)cc1OC ZINC000035066305 166424101 /nfs/dbraw/zinc/42/41/01/166424101.db2.gz QPWNNDZREWQODA-AATRIKPKSA-N 0 0 232.279 2.862 10 30 BFEERN CC(C)CCOc1ccc(N)cc1C#N ZINC000040887410 166883170 /nfs/dbraw/zinc/88/31/70/166883170.db2.gz MGHHYLJBPITRGQ-UHFFFAOYSA-N 0 0 204.273 2.565 10 30 BFEERN CC(C)CN[C@H](C#N)c1ccc(F)c(F)c1 ZINC000037939113 167013581 /nfs/dbraw/zinc/01/35/81/167013581.db2.gz PNAVQJGMDRZPEG-GFCCVEGCSA-N 0 0 224.254 2.775 10 30 BFEERN CC(C)N[C@H](C#N)c1ccc(OC(F)F)cc1 ZINC000036924657 167137407 /nfs/dbraw/zinc/13/74/07/167137407.db2.gz MGSHVUGTQVAHOE-LLVKDONJSA-N 0 0 240.253 2.851 10 30 BFEERN CC(C)Oc1c(C#N)cnc2ccccc21 ZINC000036913403 167283785 /nfs/dbraw/zinc/28/37/85/167283785.db2.gz CGLOGFVJNFVFCV-UHFFFAOYSA-N 0 0 212.252 2.894 10 30 BFEERN CC(C)Oc1ccc(N[C@H](C)C#N)cc1 ZINC000043514744 167297454 /nfs/dbraw/zinc/29/74/54/167297454.db2.gz GDCZCQKOTLWQMH-SNVBAGLBSA-N 0 0 204.273 2.798 10 30 BFEERN CC(C)Oc1ccc2ccccc2c1C#CCO ZINC000038077814 167302666 /nfs/dbraw/zinc/30/26/66/167302666.db2.gz OOPFQWZIMVGJKV-UHFFFAOYSA-N 0 0 240.302 2.971 10 30 BFEERN CC(C)SCCOc1ccc(C#CC[NH3+])cc1 ZINC000049612824 167334675 /nfs/dbraw/zinc/33/46/75/167334675.db2.gz MEGNEEGJRVULRM-UHFFFAOYSA-N 0 0 249.379 2.517 10 30 BFEERN CC(C)[C@@H](C)N(C)c1ccc(N)cc1C#N ZINC000041020973 167370714 /nfs/dbraw/zinc/37/07/14/167370714.db2.gz XAJIRCCABZDWCK-SNVBAGLBSA-N 0 0 217.316 2.621 10 30 BFEERN N#CCc1c(OC(F)(F)F)cccc1[N+](=O)[O-] ZINC000575345631 411265002 /nfs/dbraw/zinc/26/50/02/411265002.db2.gz HZWSZGFLTIVIJT-UHFFFAOYSA-N 0 0 246.144 2.559 10 30 BFEERN CC1(C)CCCN1C(=O)[C@H](C#N)c1ccccc1 ZINC000063072168 167901640 /nfs/dbraw/zinc/90/16/40/167901640.db2.gz YLXPNTCSQLOTJO-CYBMUJFWSA-N 0 0 242.322 2.695 10 30 BFEERN C=C[C@H](C(=O)[O-])[N@@H+]1CC[C@H](C2CCCCC2)C1 ZINC000656760554 411344884 /nfs/dbraw/zinc/34/48/84/411344884.db2.gz DIZAAFZLMQHAMX-QWHCGFSZSA-N 0 0 237.343 2.528 10 30 BFEERN CC1=C(C)CSC(C(=O)C(F)F)=C1 ZINC000033947979 168086248 /nfs/dbraw/zinc/08/62/48/168086248.db2.gz VPVSRVSLIBJPKZ-UHFFFAOYSA-N 0 0 204.241 2.788 10 30 BFEERN CC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000019804590 168168653 /nfs/dbraw/zinc/16/86/53/168168653.db2.gz FMSGQHSFLFHWMW-UHFFFAOYSA-N 0 0 216.284 2.911 10 30 BFEERN CCN[C@@H](C#N)c1cc(Br)cs1 ZINC000041677461 170138052 /nfs/dbraw/zinc/13/80/52/170138052.db2.gz NHLJNPDOOQHOON-ZETCQYMHSA-N 0 0 245.145 2.685 10 30 BFEERN CCN[C@@H](C#N)CCN(CC)c1ccccc1F ZINC000062438627 170138356 /nfs/dbraw/zinc/13/83/56/170138356.db2.gz MMOMDYUBJJVAIT-GFCCVEGCSA-N 0 0 249.333 2.544 10 30 BFEERN CCN[C@@](C#N)(COC1CCC1)c1ccccc1 ZINC000050521443 170155257 /nfs/dbraw/zinc/15/52/57/170155257.db2.gz DPFOLWFLGMPQJA-HNNXBMFYSA-N 0 0 244.338 2.584 10 30 BFEERN CCN[C@H](C#N)c1ccc(Cl)c(F)c1 ZINC000043390685 170155669 /nfs/dbraw/zinc/15/56/69/170155669.db2.gz XEWUNPSVSWGWPB-SNVBAGLBSA-N 0 0 212.655 2.653 10 30 BFEERN CCN[C@H](C#N)c1cccc(Br)c1 ZINC000020176121 170156473 /nfs/dbraw/zinc/15/64/73/170156473.db2.gz NGPJZKKFLCBOKA-SNVBAGLBSA-N 0 0 239.116 2.623 10 30 BFEERN CCNc1c(C#N)cnc2ccc(OC)cc21 ZINC000050842817 170170192 /nfs/dbraw/zinc/17/01/92/170170192.db2.gz HQQDUIWLELQWLB-UHFFFAOYSA-N 0 0 227.267 2.547 10 30 BFEERN CCNc1c(C#N)cnc2ccc(F)cc21 ZINC000050842674 170170376 /nfs/dbraw/zinc/17/03/76/170170376.db2.gz SBRMGCHISCRISW-UHFFFAOYSA-N 0 0 215.231 2.677 10 30 BFEERN CCOC(=O)C=C(C)NCc1ccccc1 ZINC000100218346 170189195 /nfs/dbraw/zinc/18/91/95/170189195.db2.gz MAINUTYGYVAGIJ-KAMYIIQDSA-N 0 0 219.284 2.601 10 30 BFEERN CCOC(=O)[C@@H](C#N)Cc1ccccc1Cl ZINC000034164256 170244736 /nfs/dbraw/zinc/24/47/36/170244736.db2.gz LFXFELPOGZEOQP-SNVBAGLBSA-N 0 0 237.686 2.585 10 30 BFEERN CCOC(=O)[C@H](C#N)C1CCC(C)CC1 ZINC000034632904 170263534 /nfs/dbraw/zinc/26/35/34/170263534.db2.gz BZKYZLYFVNGQJO-VQXHTEKXSA-N 0 0 209.289 2.516 10 30 BFEERN CCOC(=O)[C@H](C#N)c1ccc(C(C)C)cc1 ZINC000044197817 170264268 /nfs/dbraw/zinc/26/42/68/170264268.db2.gz FTCWHVWABLSRCN-CYBMUJFWSA-N 0 0 231.295 2.980 10 30 BFEERN CCOC1=CC(=O)[C@H](Cc2ccccc2)C1 ZINC000039100194 170320682 /nfs/dbraw/zinc/32/06/82/170320682.db2.gz VLORQHKCEYHCTC-GFCCVEGCSA-N 0 0 216.280 2.739 10 30 BFEERN CC[C@@H](C)N[C@H](C#N)c1c(F)cccc1F ZINC000038064248 170757441 /nfs/dbraw/zinc/75/74/41/170757441.db2.gz FDGILULOUNJCIJ-LDYMZIIASA-N 0 0 224.254 2.918 10 30 BFEERN CC[C@@H](C)OC1=C(C)C(=O)[C@@H](C)S1 ZINC000100243221 170762344 /nfs/dbraw/zinc/76/23/44/170762344.db2.gz ZVYVWWFUWFWQQV-HTRCEHHLSA-N 0 0 200.303 2.737 10 30 BFEERN CC[C@@H]1O[C@H]1c1cc2ccccc2c(=O)o1 ZINC000013380355 171152578 /nfs/dbraw/zinc/15/25/78/171152578.db2.gz VNEONZFLGNRQJT-CMPLNLGQSA-N 0 0 216.236 2.643 10 30 BFEERN CC[C@H](C#N)Oc1cccc2cccnc21 ZINC000043557184 171219590 /nfs/dbraw/zinc/21/95/90/171219590.db2.gz JHHAKAZDBLPVHX-LLVKDONJSA-N 0 0 212.252 2.916 10 30 BFEERN CC[C@H](C)/N=C1/SC[C@@](C)(/C=N/O)S1 ZINC000101481789 171246161 /nfs/dbraw/zinc/24/61/61/171246161.db2.gz CDZHGNFOECQGOW-KSHGJWNFSA-N 0 0 232.374 2.840 10 30 BFEERN CC[C@H](C)N[C@@H](C#N)c1ccc(OC)c(C)c1 ZINC000050597225 171345481 /nfs/dbraw/zinc/34/54/81/171345481.db2.gz SOUPTSVHOSIRPI-AAEUAGOBSA-N 0 0 232.327 2.956 10 30 BFEERN CC[C@H](C)N[C@H](C#N)c1cc(F)ccc1F ZINC000038064487 171347309 /nfs/dbraw/zinc/34/73/09/171347309.db2.gz UUPWDGAVXIZHNL-QPUJVOFHSA-N 0 0 224.254 2.918 10 30 BFEERN CC[C@H](C)OC1=C(C)C(=O)S[C@@H]1C ZINC000039090720 171351222 /nfs/dbraw/zinc/35/12/22/171351222.db2.gz MVLWFPBXSIYLPQ-POYBYMJQSA-N 0 0 200.303 2.737 10 30 BFEERN CC[C@H](C)OCc1cccc(C#CCCO)c1 ZINC000049622042 171355522 /nfs/dbraw/zinc/35/55/22/171355522.db2.gz QNHZUEZLWONKHD-ZDUSSCGKSA-N 0 0 232.323 2.736 10 30 BFEERN CC[C@H](C)Sc1ccc(/C(N)=N/O)cc1 ZINC000019870275 171356750 /nfs/dbraw/zinc/35/67/50/171356750.db2.gz GBJIZOLPGRLDTM-QMMMGPOBSA-N 0 0 224.329 2.672 10 30 BFEERN CC[C@H](C)[C@@H](C)Nc1ccc(N)cc1C#N ZINC000042552863 171368072 /nfs/dbraw/zinc/36/80/72/171368072.db2.gz FFTVJUMFIVVXSZ-VHSXEESVSA-N 0 0 217.316 2.987 10 30 BFEERN CC[C@H](C)[C@H](C)Nc1ccc(N)cc1C#N ZINC000042552869 171390921 /nfs/dbraw/zinc/39/09/21/171390921.db2.gz FFTVJUMFIVVXSZ-UWVGGRQHSA-N 0 0 217.316 2.987 10 30 BFEERN CCc1[nH]c2ncc(Cl)cc2c1C#N ZINC000095937216 171731888 /nfs/dbraw/zinc/73/18/88/171731888.db2.gz KQOKKHAZNHSRTQ-UHFFFAOYSA-N 0 0 205.648 2.650 10 30 BFEERN CCc1ccc(C(=O)c2cccc(C#N)c2)[nH]1 ZINC000039102491 171788516 /nfs/dbraw/zinc/78/85/16/171788516.db2.gz YBULOWKWFXUBNI-UHFFFAOYSA-N 0 0 224.263 2.680 10 30 BFEERN CN(CCc1ccncc1)c1ccccc1C#N ZINC000048260649 172791551 /nfs/dbraw/zinc/79/15/51/172791551.db2.gz ZSYBXSNQKJOSSW-UHFFFAOYSA-N 0 0 237.306 2.632 10 30 BFEERN COCCCN[C@@H](C#N)c1ccccc1Cl ZINC000020173681 174249119 /nfs/dbraw/zinc/24/91/19/174249119.db2.gz ONMUCSCFUGPNOQ-LBPRGKRZSA-N 0 0 238.718 2.531 10 30 BFEERN COCCN(c1ccccc1C#N)[C@@H](C)C1CC1 ZINC000042681523 174301900 /nfs/dbraw/zinc/30/19/00/174301900.db2.gz JWQRVNJJQOCQKT-LBPRGKRZSA-N 0 0 244.338 2.810 10 30 BFEERN COCc1ccccc1Nc1ccc(C#N)cn1 ZINC000049511682 174635505 /nfs/dbraw/zinc/63/55/05/174635505.db2.gz KJTJZDROQJFMPX-UHFFFAOYSA-N 0 0 239.278 2.843 10 30 BFEERN COc1ccc(/C=N/c2nccs2)cc1 ZINC000003083227 175049035 /nfs/dbraw/zinc/04/90/35/175049035.db2.gz YSGRXAPALULSAI-MDWZMJQESA-N 0 0 218.281 2.902 10 30 BFEERN COc1ccc(C#Cc2ccc(N)cc2)cc1 ZINC000028643510 175051572 /nfs/dbraw/zinc/05/15/72/175051572.db2.gz RRWJYNWZNOPPEJ-UHFFFAOYSA-N 0 0 223.275 2.677 10 30 BFEERN COc1ccc(C)cc1CN[C@H]1CCC[C@H]1C#N ZINC000061891917 175075953 /nfs/dbraw/zinc/07/59/53/175075953.db2.gz HDEGVAILYTUFOH-JSGCOSHPSA-N 0 0 244.338 2.786 10 30 BFEERN COc1ccc(C)cc1[C@@H](C#N)C(=O)C1CC1 ZINC000036930977 175078876 /nfs/dbraw/zinc/07/88/76/175078876.db2.gz XTXCVUYKERHDRK-GFCCVEGCSA-N 0 0 229.279 2.590 10 30 BFEERN COc1ccc(C)cc1[C@H](C)NC[C@H](C)C#N ZINC000048580676 175081315 /nfs/dbraw/zinc/08/13/15/175081315.db2.gz CAUAWMORXZZLHR-NEPJUHHUSA-N 0 0 232.327 2.814 10 30 BFEERN COc1ccc(OC)c(/N=C/c2cccnc2)c1 ZINC000003194295 175164724 /nfs/dbraw/zinc/16/47/24/175164724.db2.gz AXZUPRDXBAQBFC-MHWRWJLKSA-N 0 0 242.278 2.849 10 30 BFEERN COc1ccc2c(c1)nccc2SCC#N ZINC000040175305 175205524 /nfs/dbraw/zinc/20/55/24/175205524.db2.gz OACLMKLOXJVUJV-UHFFFAOYSA-N 0 0 230.292 2.859 10 30 BFEERN COc1ccc2c(c1)CCC[C@@]2(C#N)NC1CC1 ZINC000036924785 175208052 /nfs/dbraw/zinc/20/80/52/175208052.db2.gz BRBHFDXSJODOOA-HNNXBMFYSA-N 0 0 242.322 2.502 10 30 BFEERN COc1ccc2[nH]c(S[C@H](C)CC#N)nc2c1 ZINC000048247701 175228634 /nfs/dbraw/zinc/22/86/34/175228634.db2.gz IYYTUXASMKLEFS-MRVPVSSYSA-N 0 0 247.323 2.966 10 30 BFEERN COc1cccc(COc2cc(C#N)ccn2)c1 ZINC000019512987 175269842 /nfs/dbraw/zinc/26/98/42/175269842.db2.gz RPPAZESJPRVHCH-UHFFFAOYSA-N 0 0 240.262 2.541 10 30 BFEERN COc1cccc([C@@]2(C#N)CCCC(=O)C2)c1 ZINC000039209120 175291724 /nfs/dbraw/zinc/29/17/24/175291724.db2.gz MCJJAYAOJAEIFS-AWEZNQCLSA-N 0 0 229.279 2.600 10 30 BFEERN COc1cccc([C@H](C#N)C(=O)CC2CC2)c1 ZINC000049730750 175291831 /nfs/dbraw/zinc/29/18/31/175291831.db2.gz WUVOBBIAOYADSD-ZDUSSCGKSA-N 0 0 229.279 2.672 10 30 BFEERN COc1ccccc1NC1(C#N)CCCC1 ZINC000037938695 175337000 /nfs/dbraw/zinc/33/70/00/175337000.db2.gz MYJVANXOSLBIEG-UHFFFAOYSA-N 0 0 216.284 2.943 10 30 BFEERN COc1ccccc1N[C@]1(C#N)CCSC1 ZINC000037938638 175340220 /nfs/dbraw/zinc/34/02/20/175340220.db2.gz COJHNGOUJGITQR-LBPRGKRZSA-N 0 0 234.324 2.506 10 30 BFEERN CSc1cccc(NC[C@@H](C)C#N)c1 ZINC000036985005 175580357 /nfs/dbraw/zinc/58/03/57/175580357.db2.gz WSLLGPWUBHABGT-VIFPVBQESA-N 0 0 206.314 2.980 10 30 BFEERN C[C@@H](C#N)CNc1ccc(F)c(F)c1F ZINC000036986688 175596938 /nfs/dbraw/zinc/59/69/38/175596938.db2.gz RWIUWVAMHBNXDY-LURJTMIESA-N 0 0 214.190 2.675 10 30 BFEERN C[C@@H](C#N)Sc1nc2ccc(N)cc2s1 ZINC000043519218 175598461 /nfs/dbraw/zinc/59/84/61/175598461.db2.gz ICHPLRJHQKUQGZ-LURJTMIESA-N 0 0 235.337 2.883 10 30 BFEERN C[C@@H](C#N)Oc1ccc2ccccc2c1C=O ZINC000047873874 175598612 /nfs/dbraw/zinc/59/86/12/175598612.db2.gz PPMKMBGGBYDACC-JTQLQIEISA-N 0 0 225.247 2.943 10 30 BFEERN C[C@@H](Nc1nccnc1C#N)c1ccc(F)cc1 ZINC000054378010 175939392 /nfs/dbraw/zinc/93/93/92/175939392.db2.gz ICLDSPSJYYPQTE-SECBINFHSA-N 0 0 242.257 2.660 10 30 BFEERN C[C@@H](c1cccc(C#N)c1)N1C[C@@H](C)O[C@H](C)C1 ZINC000189342002 176016809 /nfs/dbraw/zinc/01/68/09/176016809.db2.gz MMVZKUQWJMZVSM-UPJWGTAASA-N 0 0 244.338 2.728 10 30 BFEERN C[C@@H]1CC=CC[C@@H]1COc1ccnc(C#N)c1 ZINC000061815385 176059419 /nfs/dbraw/zinc/05/94/19/176059419.db2.gz GRUKAUUCOBATLX-VXGBXAGGSA-N 0 0 228.295 2.934 10 30 BFEERN C[C@@H]1CCC[C@](C#N)(NCC(F)(F)F)C1 ZINC000037970913 176151298 /nfs/dbraw/zinc/15/12/98/176151298.db2.gz YXCRAOPCEUVEGU-BDAKNGLRSA-N 0 0 220.238 2.611 10 30 BFEERN C[C@@H]1CC[C@H](C#N)[C@H](N(CCC#N)C2CC2)C1 ZINC000042531142 176219195 /nfs/dbraw/zinc/21/91/95/176219195.db2.gz GDGADBPXLFTKIB-YRGRVCCFSA-N 0 0 231.343 2.693 10 30 BFEERN C[C@@](N)(C#N)CSc1cccc(Cl)c1 ZINC000054186279 176509859 /nfs/dbraw/zinc/50/98/59/176509859.db2.gz NMXSSVVBJVNDQO-SNVBAGLBSA-N 0 0 226.732 2.673 10 30 BFEERN C[C@H](C#N)Oc1ccc(N)cc1C(F)(F)F ZINC000043513262 176555169 /nfs/dbraw/zinc/55/51/69/176555169.db2.gz VOJQZFPZCGMVML-ZCFIWIBFSA-N 0 0 230.189 2.578 10 30 BFEERN C[C@H](C#N)NCc1cccc2ccccc21 ZINC000052061505 176555234 /nfs/dbraw/zinc/55/52/34/176555234.db2.gz ODPQWEVXOAXFAS-LLVKDONJSA-N 0 0 210.280 2.841 10 30 BFEERN C[C@H](Nc1cc(C#N)ccn1)c1ccco1 ZINC000035207719 176931869 /nfs/dbraw/zinc/93/18/69/176931869.db2.gz ZDADMTXPKKVKBK-VIFPVBQESA-N 0 0 213.240 2.719 10 30 BFEERN C[C@H](Nc1ncc(N)cc1C#N)c1ccccc1 ZINC000037758861 176938953 /nfs/dbraw/zinc/93/89/53/176938953.db2.gz ZIZQKYXWPVQXEA-JTQLQIEISA-N 0 0 238.294 2.709 10 30 BFEERN C[C@H](c1ccc(Cl)s1)[C@@H](C#N)N(C)C ZINC000041250758 177032998 /nfs/dbraw/zinc/03/29/98/177032998.db2.gz LJPPTDGVHZCECU-JGVFFNPUSA-N 0 0 228.748 2.959 10 30 BFEERN C[C@H](c1ccc(Cl)s1)[C@H](C#N)N(C)C ZINC000041250765 177033207 /nfs/dbraw/zinc/03/32/07/177033207.db2.gz LJPPTDGVHZCECU-YUMQZZPRSA-N 0 0 228.748 2.959 10 30 BFEERN C[C@H]1CCCC[C@@H]1N(C)c1cc(C#N)ccn1 ZINC000042610333 177080986 /nfs/dbraw/zinc/08/09/86/177080986.db2.gz RXFWURRKSVDLNG-AAEUAGOBSA-N 0 0 229.327 2.968 10 30 BFEERN C[C@H]1CCCC[C@@H]1Oc1ccc(C#N)cn1 ZINC000019804551 177084242 /nfs/dbraw/zinc/08/42/42/177084242.db2.gz VHRVEAVBKSCQFQ-JQWIXIFHSA-N 0 0 216.284 2.911 10 30 BFEERN C[C@H]1CCCC[C@@H]1Oc1cc(C#N)ccn1 ZINC000019804546 177084566 /nfs/dbraw/zinc/08/45/66/177084566.db2.gz SJCAMRHQSJWXGX-JQWIXIFHSA-N 0 0 216.284 2.911 10 30 BFEERN C[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H](C#N)C1 ZINC000067176074 177150959 /nfs/dbraw/zinc/15/09/59/177150959.db2.gz NDHOTKDFCPMGGW-VHSXEESVSA-N 0 0 224.304 2.546 10 30 BFEERN C[C@@H]1C[C@@H](CNc2cnccc2C#N)C[C@H](C)O1 ZINC000282013509 177363060 /nfs/dbraw/zinc/36/30/60/177363060.db2.gz YALBGXMHVRKSQR-ZSBIGDGJSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@@H]1C[C@@H](CNc2ncccc2C#N)C[C@H](C)O1 ZINC000359947752 177363081 /nfs/dbraw/zinc/36/30/81/177363081.db2.gz RZBZRWSMXIFSLL-ZSBIGDGJSA-N 0 0 245.326 2.569 10 30 BFEERN C[C@H]1C[C@H]1C(=O)N(CCC#N)c1ccccc1 ZINC000019504803 177376353 /nfs/dbraw/zinc/37/63/53/177376353.db2.gz XPRSCMAIQKVCEN-WCQYABFASA-N 0 0 228.295 2.589 10 30 BFEERN Cc1c(Cl)cnc(N[C@@H]2C[C@@H]2C)c1C#N ZINC000273294016 177603939 /nfs/dbraw/zinc/60/39/39/177603939.db2.gz GAEIRFLFJDXXPO-QUBYGPBYSA-N 0 0 221.691 2.735 10 30 BFEERN Cc1cccc2c1C=C(C[C@H](N)C#N)CC2 ZINC000238550398 487667392 /nfs/dbraw/zinc/66/73/92/487667392.db2.gz SFCGLPLMIAQLNC-ZDUSSCGKSA-N 0 0 212.296 2.566 10 30 BFEERN CCOc1ccc(C=NO)cc1Br ZINC000250625472 642387502 /nfs/dbraw/zinc/38/75/02/642387502.db2.gz DADXKRGJXABYHA-UHFFFAOYSA-N 0 0 244.088 2.656 10 30 BFEERN C=C(C)CNC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000161276692 323485409 /nfs/dbraw/zinc/48/54/09/323485409.db2.gz WYTCTKCGSUZQJO-STQMWFEESA-N 0 0 221.344 2.895 10 30 BFEERN C[C@H]1CN(Cc2cc(C#N)cs2)CCS1 ZINC000131414666 325147807 /nfs/dbraw/zinc/14/78/07/325147807.db2.gz FQWFKRWMBNZWAZ-VIFPVBQESA-N 0 0 238.381 2.557 10 30 BFEERN C=CCCC(=O)[C@@H]1Cc2ccccc2O1 ZINC000147383600 491069595 /nfs/dbraw/zinc/06/95/95/491069595.db2.gz ZQTCIKRPDUALDS-ZDUSSCGKSA-N 0 0 202.253 2.525 10 30 BFEERN Cc1ccc(C#CC2CCOCC2)s1 ZINC000584635002 491070913 /nfs/dbraw/zinc/07/09/13/491070913.db2.gz CINSSNYGPHEFJL-UHFFFAOYSA-N 0 0 206.310 2.835 10 30 BFEERN CC[C@H](Nc1ccc(C#N)nn1)c1cccs1 ZINC000301975099 491099472 /nfs/dbraw/zinc/09/94/72/491099472.db2.gz VRNDLPSGOCWAOU-JTQLQIEISA-N 0 0 244.323 2.973 10 30 BFEERN CC[C@H](C#N)Nc1ccc2c(ccn2C)c1 ZINC000757132909 582508272 /nfs/dbraw/zinc/50/82/72/582508272.db2.gz SBNFDSKZSGYJQT-LLVKDONJSA-N 0 0 213.284 2.892 10 30 BFEERN C[C@@H]1CC[C@@H](S)CN1C(=O)OC(C)(C)C ZINC000757162471 582545596 /nfs/dbraw/zinc/54/55/96/582545596.db2.gz IGFLESYXCOJZPP-RKDXNWHRSA-N 0 0 231.361 2.704 10 30 BFEERN C[C@@H](S)CCCNC(=O)OC(C)(C)C ZINC000757167009 582547360 /nfs/dbraw/zinc/54/73/60/582547360.db2.gz YRLMSHIRMDRANV-MRVPVSSYSA-N 0 0 219.350 2.610 10 30 BFEERN C[C@](N)(C#N)CCSCc1ccc(Cl)o1 ZINC000757166347 582547495 /nfs/dbraw/zinc/54/74/95/582547495.db2.gz SRBOBUCDEHEEBH-SNVBAGLBSA-N 0 0 244.747 2.797 10 30 BFEERN C=C(Cl)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000105923653 534437734 /nfs/dbraw/zinc/43/77/34/534437734.db2.gz PFZCRBPOFHOODF-LBPRGKRZSA-N 0 0 239.750 2.581 10 30 BFEERN CCCCCCC[C@@H]([NH2+]CC1CC1)C(=O)[O-] ZINC000103309843 520066589 /nfs/dbraw/zinc/06/65/89/520066589.db2.gz VSLWJZRGXWNSNG-GFCCVEGCSA-N 0 0 227.348 2.800 10 30 BFEERN CCC(C=O)(CC)CNC(=O)OC(C)(C)C ZINC000252510308 521381299 /nfs/dbraw/zinc/38/12/99/521381299.db2.gz ZGPCDNRLVKBDNV-UHFFFAOYSA-N 0 0 229.320 2.516 10 30 BFEERN C=CCCC(=O)N(C)CCc1ccc(F)cc1 ZINC000102238851 534602980 /nfs/dbraw/zinc/60/29/80/534602980.db2.gz IGJZRASKMLRWSU-UHFFFAOYSA-N 0 0 235.302 2.793 10 30 BFEERN CN(C)C=Nc1nc2ccc(F)cc2s1 ZINC000254405765 524041688 /nfs/dbraw/zinc/04/16/88/524041688.db2.gz ITZRNAFQNFQYPY-UHFFFAOYSA-N 0 0 223.276 2.657 10 30 BFEERN N#CCc1ncc(-c2ccc(F)cc2)o1 ZINC000040543130 526486926 /nfs/dbraw/zinc/48/69/26/526486926.db2.gz BDEFPDWGLZDLEY-UHFFFAOYSA-N 0 0 202.188 2.547 10 30 BFEERN C#CCN(C(=O)C1CC(C)C1)C1CCCCC1 ZINC000490762169 526762837 /nfs/dbraw/zinc/76/28/37/526762837.db2.gz GDLATQMRCIGJBJ-UHFFFAOYSA-N 0 0 233.355 2.827 10 30 BFEERN ON=Cc1cc(Cl)cc(Br)c1 ZINC000301054722 527642875 /nfs/dbraw/zinc/64/28/75/527642875.db2.gz HUQCSRXSZDDKGQ-UHFFFAOYSA-N 0 0 234.480 2.911 10 30 BFEERN CC1(C)[C@H]2CC[C@]1(C)/C(=N/OC[C@H]1CO1)C2 ZINC000260891607 535095361 /nfs/dbraw/zinc/09/53/61/535095361.db2.gz OJBHYQHZQDEUEM-AZWPHPFVSA-N 0 0 223.316 2.604 10 30 BFEERN CC1(C)CCc2ccccc2[C@@H]1NC(=O)CC#N ZINC000185551705 535330670 /nfs/dbraw/zinc/33/06/70/535330670.db2.gz PXYVMCFINIULMQ-AWEZNQCLSA-N 0 0 242.322 2.730 10 30 BFEERN CN(C)c1ccc(-c2cc(CS)no2)cc1 ZINC000725253025 538035421 /nfs/dbraw/zinc/03/54/21/538035421.db2.gz SKIQEDMVJBQCPD-UHFFFAOYSA-N 0 0 234.324 2.837 10 30 BFEERN COc1ccc2c(c1)-c1onc(CS)c1C2 ZINC000725253034 538035432 /nfs/dbraw/zinc/03/54/32/538035432.db2.gz STKLNKZDFNVTIH-UHFFFAOYSA-N 0 0 233.292 2.684 10 30 BFEERN CCOC(=O)C[C@]1([C@@H]2CO2)CCC[C@H](C)C1 ZINC000675052386 566375582 /nfs/dbraw/zinc/37/55/82/566375582.db2.gz DOKNEMNOTTTWEI-GVXVVHGQSA-N 0 0 226.316 2.535 10 30 BFEERN Cc1ccc(C)c(-c2c[nH]c(N)c2C#N)c1 ZINC000082533529 566409787 /nfs/dbraw/zinc/40/97/87/566409787.db2.gz BQUMZXPMXHUJTJ-UHFFFAOYSA-N 0 0 211.268 2.752 10 30 BFEERN C=C1C(=O)O[C@H]2C[C@H](C)C(/C=C\C(C)=O)=CC[C@H]12 ZINC000033829878 560089002 /nfs/dbraw/zinc/08/90/02/560089002.db2.gz RBRPTFMVULVGIC-JQKKGMPGSA-N 0 0 246.306 2.586 10 30 biogenic,in-vitro BFEERN CC(=O)/C=C/C1=C(C)C(=O)CCC1(C)C ZINC000005457037 560202210 /nfs/dbraw/zinc/20/22/10/560202210.db2.gz OBHGOXFSRVNKBS-AATRIKPKSA-N 0 0 206.285 2.837 10 30 in-vitro,metabolite BFEERN CCCCCCCCC(=O)N[C@H](C)C#N ZINC000111325035 588744119 /nfs/dbraw/zinc/74/41/19/588744119.db2.gz CPHVBIYTCGCDPA-LLVKDONJSA-N 0 0 210.321 2.765 10 30 BFEERN COC(=O)[C@]1(Cl)O[C@]12CCCC(C)(C)CC2 ZINC000234599697 582461928 /nfs/dbraw/zinc/46/19/28/582461928.db2.gz ZPFYFHCYCDGNHS-RYUDHWBXSA-N 0 0 246.734 2.854 10 30 BFEERN C[C@H](CC#N)Nc1ccc2c(ccn2C)c1 ZINC000757126677 582501836 /nfs/dbraw/zinc/50/18/36/582501836.db2.gz GKASSKVMHFALKA-SNVBAGLBSA-N 0 0 213.284 2.892 10 30 BFEERN C=C[C@@H](C)N1C(=S)N=NC1CC(C)C ZINC000757131230 582506077 /nfs/dbraw/zinc/50/60/77/582506077.db2.gz OJCAJCDFMJEILF-MRVPVSSYSA-N 0 0 211.334 2.512 10 30 BFEERN C=C[C@@H](C)N1C(=S)N=NC1c1ccc(N)cc1 ZINC000757134283 582510945 /nfs/dbraw/zinc/51/09/45/582510945.db2.gz WQNGZIKWQDAVIL-MRVPVSSYSA-N 0 0 246.339 2.563 10 30 BFEERN C[C@H]1[C@@H](S)CCCN1C(=O)OC(C)(C)C ZINC000757159896 582541029 /nfs/dbraw/zinc/54/10/29/582541029.db2.gz IHZHEYUSRLOSHN-IUCAKERBSA-N 0 0 231.361 2.704 10 30 BFEERN C[C@@H](S)c1ccc(F)c([N+](=O)[O-])c1 ZINC000757160173 582542074 /nfs/dbraw/zinc/54/20/74/582542074.db2.gz KVULTMRPXYELNE-RXMQYKEDSA-N 0 0 201.222 2.725 10 30 BFEERN CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1S ZINC000757164064 582545913 /nfs/dbraw/zinc/54/59/13/582545913.db2.gz XXMQRYRMMCBOTK-VHSXEESVSA-N 0 0 245.388 3.000 10 30 BFEERN CN[C@@H](C#N)[C@H](C)SCc1ccc(Cl)o1 ZINC000757164995 582546221 /nfs/dbraw/zinc/54/62/21/582546221.db2.gz KFXKMLDBHAHZFV-CBAPKCEASA-N 0 0 244.747 2.666 10 30 BFEERN CCc1ccc(CSC[C@]2(C)CO2)o1 ZINC000757168942 582550301 /nfs/dbraw/zinc/55/03/01/582550301.db2.gz DRHDTSUHAGFQNP-NSHDSACASA-N 0 0 212.314 2.864 10 30 BFEERN CCCCCCCCS(=O)(=O)N(F)CC ZINC000207720060 582690147 /nfs/dbraw/zinc/69/01/47/582690147.db2.gz CERJUJZYFRMSHC-UHFFFAOYSA-N 0 0 239.356 2.883 10 30 BFEERN CC(C)(C)OC(=O)N1CCC[C@H](S)CC1 ZINC000142911566 583711924 /nfs/dbraw/zinc/71/19/24/583711924.db2.gz DPLVKMBMIUTPST-VIFPVBQESA-N 0 0 231.361 2.706 10 30 BFEERN C=C[C@H](C)N1C(=S)N=NC1[C@H](C)CC ZINC000757134709 586427033 /nfs/dbraw/zinc/42/70/33/586427033.db2.gz YOFHMFVOCAVUSO-SFYZADRCSA-N 0 0 211.334 2.827 10 30 BFEERN C[C@H]1C[C@H](S)CN(C(=O)OC(C)(C)C)C1 ZINC000757159159 586430705 /nfs/dbraw/zinc/43/07/05/586430705.db2.gz GZCKIAXOQFDIIG-IUCAKERBSA-N 0 0 231.361 2.562 10 30 BFEERN C[C@H](S)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000757162338 586432183 /nfs/dbraw/zinc/43/21/83/586432183.db2.gz GCTVQJRCBCSFPN-DTWKUNHWSA-N 0 0 231.361 2.562 10 30 BFEERN C[C@@H](S)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000757162328 586432207 /nfs/dbraw/zinc/43/22/07/586432207.db2.gz GCTVQJRCBCSFPN-BDAKNGLRSA-N 0 0 231.361 2.562 10 30 BFEERN Oc1c(F)cc(Br)cc1CS ZINC000757160878 586432272 /nfs/dbraw/zinc/43/22/72/586432272.db2.gz RUWCPKVEBPZQND-UHFFFAOYSA-N 0 0 237.093 2.724 10 30 BFEERN C=CCOC(=O)[C@H]1C[C@@H]1c1ccc(F)c(F)c1 ZINC000109153591 588524499 /nfs/dbraw/zinc/52/44/99/588524499.db2.gz MCOUFZAQVGXFCD-ZJUUUORDSA-N 0 0 238.233 2.798 10 30 BFEERN Cc1c(/C=C2/Cc3ccccc3C2=O)cnn1C ZINC000120666034 589453008 /nfs/dbraw/zinc/45/30/08/589453008.db2.gz GGNKNNBZTFHASP-WQLSENKSSA-N 0 0 238.290 2.551 10 30 BFEERN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](S)C1 ZINC000218744815 592176733 /nfs/dbraw/zinc/17/67/33/592176733.db2.gz PCDOFJVVBXRUHP-BDAKNGLRSA-N 0 0 231.361 2.752 10 30 BFEERN CCCCCCC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000225119040 635399891 /nfs/dbraw/zinc/39/98/91/635399891.db2.gz JOPVOZHNJISXNX-NEPJUHHUSA-N 0 0 222.332 2.765 10 30 BFEERN Cc1ccc([C@H](C)Nc2cc(C#N)nc(C)n2)o1 ZINC000308338176 631293354 /nfs/dbraw/zinc/29/33/54/631293354.db2.gz PHGDAEJTJHIETK-VIFPVBQESA-N 0 0 242.282 2.731 10 30 BFEERN Cc1ccc([C@@H](C)Nc2cc(C#N)nc(C)n2)o1 ZINC000308338175 631293671 /nfs/dbraw/zinc/29/36/71/631293671.db2.gz PHGDAEJTJHIETK-SECBINFHSA-N 0 0 242.282 2.731 10 30 BFEERN N#C[C@H](OC(=O)Cc1ccccc1Cl)C1CC1 ZINC000176084200 631511613 /nfs/dbraw/zinc/51/16/13/631511613.db2.gz MLMNXQIAGGYILC-LBPRGKRZSA-N 0 0 249.697 2.728 10 30 BFEERN Cc1cc(C#N)ccc1N[C@@H]1CCCC[C@@H]1O ZINC000052005793 632043279 /nfs/dbraw/zinc/04/32/79/632043279.db2.gz ODCDPEOVFRMJLO-KGLIPLIRSA-N 0 0 230.311 2.582 10 30 BFEERN C#C[C@H](C)NC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000185962143 636076283 /nfs/dbraw/zinc/07/62/83/636076283.db2.gz RDWDRNIVJADZEM-WDEREUQCSA-N 0 0 248.301 2.516 10 30 BFEERN N#C[C@H]1CCC[C@H]1NCc1cccc(Cl)n1 ZINC000309476551 633925520 /nfs/dbraw/zinc/92/55/20/633925520.db2.gz CBWCGSGQZCMHHE-MWLCHTKSSA-N 0 0 235.718 2.517 10 30 BFEERN C[C@@H]1CCC[C@@H]1C(=O)[C@@H](C#N)c1ccccn1 ZINC000230169092 641032074 /nfs/dbraw/zinc/03/20/74/641032074.db2.gz NEILRJNZIWLIJB-WOPDTQHZSA-N 0 0 228.295 2.694 10 30 BFEERN COC1CC(Nc2ccc(C#N)c(Cl)c2)C1 ZINC000230596686 641071960 /nfs/dbraw/zinc/07/19/60/641071960.db2.gz CUIARLMDRYBKIA-UHFFFAOYSA-N 0 0 236.702 2.801 10 30 BFEERN N#C[C@@H]1CCCC[C@H]1NCC(F)(F)C(F)F ZINC000230690781 641089973 /nfs/dbraw/zinc/08/99/73/641089973.db2.gz PFHNGVPMRWHJQJ-JGVFFNPUSA-N 0 0 238.228 2.559 10 30 BFEERN C#CCCOC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000174058109 641233395 /nfs/dbraw/zinc/23/33/95/641233395.db2.gz CQXZVXUJTMGREG-CHWSQXEVSA-N 0 0 220.312 2.769 10 30 BFEERN C#CCCCNC(=O)N[C@@H](C)c1ccccc1C ZINC000174090754 641240461 /nfs/dbraw/zinc/24/04/61/641240461.db2.gz JOKWYIHZPJQDJR-ZDUSSCGKSA-N 0 0 244.338 2.769 10 30 BFEERN CC#CCCOc1cccc([C@@H](C)O)c1 ZINC000154888382 642295937 /nfs/dbraw/zinc/29/59/37/642295937.db2.gz KBAFCGXGVVJJEG-LLVKDONJSA-N 0 0 204.269 2.532 10 30 BFEERN C/C(=C/c1ccc(Cl)cc1)C(=O)N[C@H](C)C#N ZINC000254982213 643205206 /nfs/dbraw/zinc/20/52/06/643205206.db2.gz QKSWJBJRMCAMDG-UJICNMFASA-N 0 0 248.713 2.772 10 30 BFEERN CC(C)(C)[C@H](C#N)OC(=O)Cc1cccc(F)c1 ZINC000184918179 643250522 /nfs/dbraw/zinc/25/05/22/643250522.db2.gz GCQJZMAJEQLXMC-LBPRGKRZSA-N 0 0 249.285 2.850 10 30 BFEERN C=CC[C@@H](C)n1nc(CC)c(N)c1CC ZINC000715022725 643389265 /nfs/dbraw/zinc/38/92/65/643389265.db2.gz KFFVRQGCDBPFEH-SECBINFHSA-N 0 0 207.321 2.727 10 30 BFEERN SCc1cc(Cl)c2c(c1)OCCCO2 ZINC000086895268 644265709 /nfs/dbraw/zinc/26/57/09/644265709.db2.gz RYHFTAIRXPLMFG-UHFFFAOYSA-N 0 0 230.716 2.931 10 30 BFEERN CC(C)(C)OC(=O)N1CCCC[C@H]1CS ZINC000084303435 644423591 /nfs/dbraw/zinc/42/35/91/644423591.db2.gz NERJSVIYENUNCT-VIFPVBQESA-N 0 0 231.361 2.706 10 30 BFEERN ON=Cc1ccc(-c2ccccc2F)o1 ZINC000252363037 644848336 /nfs/dbraw/zinc/84/83/36/644848336.db2.gz HBGBUSNRAWATAS-UHFFFAOYSA-N 0 0 205.188 2.894 10 30 BFEERN N#C[C@@H]1CCC[C@@H]1NCc1scnc1Cl ZINC000713504763 711491294 /nfs/dbraw/zinc/49/12/94/711491294.db2.gz STGTVARJVJRUOS-YUMQZZPRSA-N 0 0 241.747 2.578 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)/C=C/c1cccs1 ZINC000701157218 712017356 /nfs/dbraw/zinc/01/73/56/712017356.db2.gz JODCOURJWVHITE-SKBQGCEYSA-N 0 0 246.335 2.570 10 30 BFEERN N#C[C@@H]1CCC[C@H]1NC(=O)[C@H]1CCC=CCCC1 ZINC000719063844 712795007 /nfs/dbraw/zinc/79/50/07/712795007.db2.gz XXQRQXQRPCGGJP-MELADBBJSA-N 0 0 246.354 2.931 10 30 BFEERN C=CC[C@H]1CCCC[C@@H]1[NH2+]CCCCC(=O)[O-] ZINC000692241402 976407333 /nfs/dbraw/zinc/40/73/33/976407333.db2.gz UCEWBFZTXRVGFI-STQMWFEESA-N 0 0 239.359 2.966 10 30 BFEERN CN(C)c1ccc(C(=O)/C=C\c2cocn2)cc1 ZINC000588561386 959177520 /nfs/dbraw/zinc/17/75/20/959177520.db2.gz CYWXKIMBPMBKID-YVMONPNESA-N 0 0 242.278 2.637 10 30 BFEERN O=C1c2cccc(Cl)c2O/C1=C/c1cocn1 ZINC000588579140 959336147 /nfs/dbraw/zinc/33/61/47/959336147.db2.gz MQLQUADOEDHHNA-ONNFQVAWSA-N 0 0 247.637 2.944 10 30 BFEERN O=C1c2ccccc2OCC/C1=C/c1cocn1 ZINC000588579083 959337451 /nfs/dbraw/zinc/33/74/51/959337451.db2.gz KUTKXIFRKINROZ-YFHOEESVSA-N 0 0 241.246 2.723 10 30 BFEERN Cc1ccsc1C(=O)/C=C\c1cocn1 ZINC000588578960 959338777 /nfs/dbraw/zinc/33/87/77/959338777.db2.gz JEULBSYEBFPZFG-IHWYPQMZSA-N 0 0 219.265 2.941 10 30 BFEERN C=C[C@H](C)OC(=O)/C=C\c1ccnc(Cl)c1 ZINC000588539629 960080528 /nfs/dbraw/zinc/08/05/28/960080528.db2.gz BKBUYLBILNWZHY-WBSSQXGSSA-N 0 0 237.686 2.866 10 30 BFEERN C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCCCC(=O)[O-] ZINC000692241400 976407820 /nfs/dbraw/zinc/40/78/20/976407820.db2.gz UCEWBFZTXRVGFI-OLZOCXBDSA-N 0 0 239.359 2.966 10 30 BFEERN