smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1COCC[C@@H]1N[C@@H]1CCCC[C@H]1C#N ZINC000300944188 349460324 /nfs/dbraw/zinc/46/03/24/349460324.db2.gz DVFHMRDZNWFPRH-MROQNXINSA-N 0 3 222.332 2.083 10 30 BEEEHN Cc1cc(NC[C@@H]2CCCN2C)c(C#N)c(C)n1 ZINC000160542768 178166678 /nfs/dbraw/zinc/16/66/78/178166678.db2.gz GZYCIGCWRAPYEN-LBPRGKRZSA-N 0 3 244.342 2.076 10 30 BEEEHN CCN1CCC(C=O)(c2ccccc2)CC1 ZINC000003610219 342735082 /nfs/dbraw/zinc/73/50/82/342735082.db2.gz WGLLQWKGWPHUSQ-UHFFFAOYSA-N 0 3 217.312 2.239 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@H]1C#N)[C@H]1CCCO1 ZINC000251551505 398297801 /nfs/dbraw/zinc/29/78/01/398297801.db2.gz LQBOHJZSPYTTJS-WUHRBBMRSA-N 0 3 222.332 2.226 10 30 BEEEHN CC[C@H](N)C#Cc1occc1Br ZINC000229904036 342854430 /nfs/dbraw/zinc/85/44/30/342854430.db2.gz RLHQMYAJGOOQCR-ZETCQYMHSA-N 0 3 228.089 2.131 10 30 BEEEHN CC[C@@H](N)C#Cc1occc1Br ZINC000229904031 342854586 /nfs/dbraw/zinc/85/45/86/342854586.db2.gz RLHQMYAJGOOQCR-SSDOTTSWSA-N 0 3 228.089 2.131 10 30 BEEEHN COc1ccc(C#C[C@H](N)C(C)C)s1 ZINC000306660781 362020775 /nfs/dbraw/zinc/02/07/75/362020775.db2.gz NGHHNAMHHYUCFN-JTQLQIEISA-N 0 3 209.314 2.092 10 30 BEEEHN C#CCNCc1ccc(OC(C)C)c(OC)c1 ZINC000020084667 187342771 /nfs/dbraw/zinc/34/27/71/187342771.db2.gz SLVCOUMQJYSZTL-UHFFFAOYSA-N 0 3 233.311 2.205 10 30 BEEEHN NCC#Cc1cscc1C(F)(F)F ZINC000306592383 343852870 /nfs/dbraw/zinc/85/28/70/343852870.db2.gz RAKUKRZNJOUMAD-UHFFFAOYSA-N 0 3 205.204 2.077 10 30 BEEEHN CCCCOCc1ccc(OC)c(C#CCN)c1 ZINC000049611060 187357942 /nfs/dbraw/zinc/35/79/42/187357942.db2.gz RNMLACZMCYVWMN-UHFFFAOYSA-N 0 3 247.338 2.322 10 30 BEEEHN CC[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C#N)CCO1 ZINC000251645886 344121787 /nfs/dbraw/zinc/12/17/87/344121787.db2.gz NBUSJKBFWLUPOP-LOWDOPEQSA-N 0 3 222.332 2.226 10 30 BEEEHN NCC#Cc1c(F)ccc(Br)c1F ZINC000236186736 344308331 /nfs/dbraw/zinc/30/83/31/344308331.db2.gz CZWKSFJGXHGNMG-UHFFFAOYSA-N 0 3 246.054 2.038 10 30 BEEEHN CNC(=N)Nc1c(Cl)cc(F)cc1Cl ZINC000215735805 349915187 /nfs/dbraw/zinc/91/51/87/349915187.db2.gz YPADGKUDJSESHM-UHFFFAOYSA-N 0 3 236.077 2.489 10 30 BEEEHN CC#CCCN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000155401186 187296351 /nfs/dbraw/zinc/29/63/51/187296351.db2.gz CEPMOYJBDMIBQZ-ZDUSSCGKSA-N 0 3 247.342 2.046 10 30 BEEEHN CC#CCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000155121062 345068230 /nfs/dbraw/zinc/06/82/30/345068230.db2.gz BVPDOTGSVMNYON-QWHCGFSZSA-N 0 3 207.317 2.043 10 30 BEEEHN C[C@@H]1CSC[C@@H]1N[C@H]1CCC[C@H]1C#N ZINC000306235820 345129951 /nfs/dbraw/zinc/12/99/51/345129951.db2.gz OOSSLYFQBVYVAD-RCWTZXSCSA-N 0 3 210.346 2.020 10 30 BEEEHN C=C(Br)CN[C@H]1CCCCC[C@@H]1O ZINC000164063338 345777764 /nfs/dbraw/zinc/77/77/64/345777764.db2.gz BJCBDUNPNVSCSL-UWVGGRQHSA-N 0 3 248.164 2.178 10 30 BEEEHN CC[C@](C)(CN[C@@H]1CCCC[C@@H]1C#N)OC ZINC000322636368 345953725 /nfs/dbraw/zinc/95/37/25/345953725.db2.gz SLQNOWCJEROQNW-JHJVBQTASA-N 0 3 224.348 2.473 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NCC[C@H]1CCOC1 ZINC000300361530 346432176 /nfs/dbraw/zinc/43/21/76/346432176.db2.gz GQBWABPKHNOAHS-RWMBFGLXSA-N 0 3 222.332 2.085 10 30 BEEEHN C#CCNCc1ccc(OCCC)cc1 ZINC000020084665 347349489 /nfs/dbraw/zinc/34/94/89/347349489.db2.gz QJYNAAFWTIPHTH-UHFFFAOYSA-N 0 3 203.285 2.198 10 30 BEEEHN C=CCCSCCNCc1cnn(C)c1C ZINC000594960877 348150824 /nfs/dbraw/zinc/15/08/24/348150824.db2.gz ZCQWUGQKYHNTEB-UHFFFAOYSA-N 0 3 239.388 2.127 10 30 BEEEHN Cc1ccc(CN2CC[C@H](CCO)C2)cc1C#N ZINC000599299931 349141056 /nfs/dbraw/zinc/14/10/56/349141056.db2.gz QFAOSOSMNKTFBA-CYBMUJFWSA-N 0 3 244.338 2.071 10 30 BEEEHN C[C@H](C#N)Oc1c(Cl)cccc1CN ZINC000159163194 349309286 /nfs/dbraw/zinc/30/92/86/349309286.db2.gz RUNBNKIOMXSYKP-SSDOTTSWSA-N 0 3 210.664 2.090 10 30 BEEEHN CCOC1CC(N[C@H]2CCCC[C@H]2C#N)C1 ZINC000233752429 350684418 /nfs/dbraw/zinc/68/44/18/350684418.db2.gz LFUPHLUFXHTAFP-WTIISPKJSA-N 0 3 222.332 2.226 10 30 BEEEHN N#Cc1cccc([C@@H]2CCCCCN2CCO)c1 ZINC000616625363 351093947 /nfs/dbraw/zinc/09/39/47/351093947.db2.gz MLCKUPSZDSGMTL-HNNXBMFYSA-N 0 3 244.338 2.468 10 30 BEEEHN CC(C#N)C(=O)c1coc(Br)c1 ZINC000306998402 351412821 /nfs/dbraw/zinc/41/28/21/351412821.db2.gz YEDGNDPLORWMMI-YFKPBYRVSA-N 0 3 228.045 2.384 10 30 BEEEHN C=CC[C@H](N)c1nscc1Br ZINC000404797016 352470172 /nfs/dbraw/zinc/47/01/72/352470172.db2.gz IGFBBICWPXCJRB-LURJTMIESA-N 0 3 233.134 2.482 10 30 BEEEHN C=C(Br)CN[C@@H]1CCCCC[C@H]1O ZINC000164063465 352555654 /nfs/dbraw/zinc/55/56/54/352555654.db2.gz BJCBDUNPNVSCSL-NXEZZACHSA-N 0 3 248.164 2.178 10 30 BEEEHN N#Cc1ccc(C(F)(F)F)c(CN)c1 ZINC000307512793 352632200 /nfs/dbraw/zinc/63/22/00/352632200.db2.gz PVXGTUQXYKBCEQ-UHFFFAOYSA-N 0 3 200.163 2.036 10 30 BEEEHN C=CCCC(C)(C)CNC(=O)[C@H](N)CC(C)C ZINC000638876076 353042439 /nfs/dbraw/zinc/04/24/39/353042439.db2.gz YEXFHRCBZNMZQO-GFCCVEGCSA-N 0 3 240.391 2.468 10 30 BEEEHN C=CC[C@H](N)C(=O)NC[C@@H](CC)CCCC ZINC000083354966 188269941 /nfs/dbraw/zinc/26/99/41/188269941.db2.gz BFTMTDKOUNLACM-RYUDHWBXSA-N 0 3 226.364 2.222 10 30 BEEEHN C=CC[C@H](N)C(=O)NCc1ccc(C(C)C)cc1 ZINC000083375564 188270450 /nfs/dbraw/zinc/27/04/50/188270450.db2.gz SXHCTCICQWKELS-AWEZNQCLSA-N 0 3 246.354 2.330 10 30 BEEEHN Cc1ccc(C)c(CN(C)C[C@H](C)/C(N)=N/O)c1 ZINC000042458361 188293790 /nfs/dbraw/zinc/29/37/90/188293790.db2.gz MAKGJMXSTLDGAU-LBPRGKRZSA-N 0 3 249.358 2.118 10 30 BEEEHN COCC1(CN[C@H]2CCCC[C@H]2C#N)CCC1 ZINC000383478625 353334070 /nfs/dbraw/zinc/33/40/70/353334070.db2.gz AHIZVOKQSIBWLD-STQMWFEESA-N 0 3 236.359 2.475 10 30 BEEEHN NCC#Cc1cc2cccc(Cl)c2o1 ZINC000131811931 353376063 /nfs/dbraw/zinc/37/60/63/353376063.db2.gz OKKSUNABYYBOCU-UHFFFAOYSA-N 0 3 205.644 2.396 10 30 BEEEHN C[C@H]1CN2CCCC[C@@H]2CN1CCC(C)(C)C#N ZINC000094446042 353513466 /nfs/dbraw/zinc/51/34/66/353513466.db2.gz ZLWFFQIGVYOLMX-UONOGXRCSA-N 0 3 249.402 2.485 10 30 BEEEHN N#CC1(c2ccc(F)cc2F)CCNCC1 ZINC000038975599 181031467 /nfs/dbraw/zinc/03/14/67/181031467.db2.gz SFCSLUZMQRKTFX-UHFFFAOYSA-N 0 3 222.238 2.110 10 30 BEEEHN N#C[C@@H]1CCCCC[C@@H]1NC[C@@H]1CCCOC1 ZINC000054825920 181058348 /nfs/dbraw/zinc/05/83/48/181058348.db2.gz JWUQAIQZTFOMTN-IHRRRGAJSA-N 0 3 236.359 2.475 10 30 BEEEHN N#Cc1cc(N[C@@H]2CCN(C3CC3)C2)ccc1F ZINC000061983942 181092002 /nfs/dbraw/zinc/09/20/02/181092002.db2.gz POOAPPSETBZGGP-GFCCVEGCSA-N 0 3 245.301 2.346 10 30 BEEEHN N#Cc1ccc(F)c(CNC[C@@H]2CCCCO2)c1 ZINC000042821019 181112727 /nfs/dbraw/zinc/11/27/27/181112727.db2.gz TWBYMMBTCYQLCD-ZDUSSCGKSA-N 0 3 248.301 2.356 10 30 BEEEHN N#Cc1ccc(N[C@@H]2CCN3CCC[C@H]23)c(F)c1 ZINC000049569074 181125238 /nfs/dbraw/zinc/12/52/38/181125238.db2.gz HUVQIUXSVMUCFS-ZIAGYGMSSA-N 0 3 245.301 2.346 10 30 BEEEHN COCCCCCN[C@H]1CCC[C@@H]1C#N ZINC000234630591 363426329 /nfs/dbraw/zinc/42/63/29/363426329.db2.gz BVALMMDHOOAJGA-NEPJUHHUSA-N 0 3 210.321 2.085 10 30 BEEEHN [NH2+]=C(C[S-])NCC12CCC(CC1)CC2 ZINC000169331438 181185519 /nfs/dbraw/zinc/18/55/19/181185519.db2.gz KRDGXCGVNPGBAM-UHFFFAOYSA-N 0 3 212.362 2.453 10 30 BEEEHN C[C@H](N)C#Cc1cscc1Br ZINC000167001391 355948547 /nfs/dbraw/zinc/94/85/47/355948547.db2.gz FQYHWLDHVDMSAC-LURJTMIESA-N 0 3 230.130 2.209 10 30 BEEEHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccs1 ZINC000035139664 134161562 /nfs/dbraw/zinc/16/15/62/134161562.db2.gz GCKPNSKLOOFPJO-VHSXEESVSA-N 0 3 238.356 2.089 10 30 BEEEHN N#Cc1cccc(CN2CCC[C@H]2CCCO)c1 ZINC000052759568 358229696 /nfs/dbraw/zinc/22/96/96/358229696.db2.gz HPCKQVOIRYFEPF-HNNXBMFYSA-N 0 3 244.338 2.295 10 30 BEEEHN CC(C#N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000044824271 358555942 /nfs/dbraw/zinc/55/59/42/358555942.db2.gz HTBLAWYKWWLUQE-SECBINFHSA-N 0 3 236.702 2.458 10 30 BEEEHN CCN1CCC[C@@H](NCc2ccc(C#N)s2)C1 ZINC000135686172 325422532 /nfs/dbraw/zinc/42/25/32/325422532.db2.gz PNTKNXIUTVRWHO-LLVKDONJSA-N 0 3 249.383 2.194 10 30 BEEEHN C#C[C@@H](N)c1ccc(Br)c(C)c1 ZINC000130294366 359027513 /nfs/dbraw/zinc/02/75/13/359027513.db2.gz OCIQNPPWOPWAML-SNVBAGLBSA-N 0 3 224.101 2.391 10 30 BEEEHN CC(C)(CCC#N)CN1CCN2CCCC[C@@H]2C1 ZINC000092616268 360184904 /nfs/dbraw/zinc/18/49/04/360184904.db2.gz JHNREXGXKWCRPS-CQSZACIVSA-N 0 3 249.402 2.486 10 30 BEEEHN CC(C)(C#N)CCCN1CCN2CCCC[C@@H]2C1 ZINC000093952614 360292503 /nfs/dbraw/zinc/29/25/03/360292503.db2.gz BESMCDTZUNCORY-CQSZACIVSA-N 0 3 249.402 2.486 10 30 BEEEHN CC#CCN[C@H]1CCC[C@H]1C(F)(F)F ZINC000306561650 360438960 /nfs/dbraw/zinc/43/89/60/360438960.db2.gz NIRVRHPQSLIAMB-BDAKNGLRSA-N 0 3 205.223 2.330 10 30 BEEEHN NCC#Cc1cccc(COCC(F)(F)F)c1 ZINC000049610356 181346024 /nfs/dbraw/zinc/34/60/24/181346024.db2.gz AHVXDFDNBXAHNA-UHFFFAOYSA-N 0 3 243.228 2.076 10 30 BEEEHN NCC#Cc1cc(F)ccc1COC1CCC1 ZINC000050521143 181346344 /nfs/dbraw/zinc/34/63/44/181346344.db2.gz HCOHPAIAWUVGFX-UHFFFAOYSA-N 0 3 233.286 2.205 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)[C@H]1CCCOC1 ZINC000388916981 364224332 /nfs/dbraw/zinc/22/43/32/364224332.db2.gz ORVDQWIZXGEASA-RFQIPJPRSA-N 0 3 236.359 2.473 10 30 BEEEHN CC1(C)C[C@H](N[C@H]2CCC[C@H]2C#N)CCO1 ZINC000251114424 369671550 /nfs/dbraw/zinc/67/15/50/369671550.db2.gz CWCJTXBADYTXAU-TUAOUCFPSA-N 0 3 222.332 2.226 10 30 BEEEHN CN(CC1CCOCC1)[C@@H]1CCC[C@@H]1C#N ZINC000110897397 369999016 /nfs/dbraw/zinc/99/90/16/369999016.db2.gz YZEYGNBLTSZXKJ-CHWSQXEVSA-N 0 3 222.332 2.037 10 30 BEEEHN CCCN(C)Cc1ccc(F)c(C#CCO)c1 ZINC000049617738 169081297 /nfs/dbraw/zinc/08/12/97/169081297.db2.gz OUMIPUGQDSROKN-UHFFFAOYSA-N 0 3 235.302 2.011 10 30 BEEEHN N#Cc1c(F)cccc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000334992010 384005093 /nfs/dbraw/zinc/00/50/93/384005093.db2.gz HIUSCFHOCRYCJB-PHIMTYICSA-N 0 3 245.301 2.028 10 30 BEEEHN CCC[C@@H]1C[C@@H]1NCc1ccc(C#N)o1 ZINC000165060515 384372280 /nfs/dbraw/zinc/37/22/80/384372280.db2.gz IECFZRJJBQGYAR-SKDRFNHKSA-N 0 3 204.273 2.429 10 30 BEEEHN C#CCCN1CCC(c2nccs2)CC1 ZINC000363473154 384609853 /nfs/dbraw/zinc/60/98/53/384609853.db2.gz YTVDBFHJDUCLDR-UHFFFAOYSA-N 0 3 220.341 2.346 10 30 BEEEHN CO[C@@H]1CCC[C@H]1NCC#Cc1ccccc1 ZINC000051814424 384707118 /nfs/dbraw/zinc/70/71/18/384707118.db2.gz TUZRLIDAUGCJSM-HUUCEWRRSA-N 0 3 229.323 2.195 10 30 BEEEHN C[NH+](C)CCC/N=C/c1cc(Cl)ccc1[O-] ZINC000049946926 384945248 /nfs/dbraw/zinc/94/52/48/384945248.db2.gz ACCHLSUQPLJGNU-NTEUORMPSA-N 0 3 240.734 2.416 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1NC[C@H]1CCSC1 ZINC000300234933 385302276 /nfs/dbraw/zinc/30/22/76/385302276.db2.gz YCLPGHRMNNPPHF-OUAUKWLOSA-N 0 3 210.346 2.021 10 30 BEEEHN C[C@H](N[C@@H]1CCC[C@H]1C#N)[C@@H]1CCCOC1 ZINC000309589770 385719553 /nfs/dbraw/zinc/71/95/53/385719553.db2.gz ULSATMDYARTERU-WUHRBBMRSA-N 0 3 222.332 2.083 10 30 BEEEHN CC#CCN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000051663386 386834462 /nfs/dbraw/zinc/83/44/62/386834462.db2.gz ZSGHEJMCABLHPJ-LLVKDONJSA-N 0 3 233.311 2.378 10 30 BEEEHN CCCCN(CC#Cc1ccccc1)CCO ZINC000051814905 386869295 /nfs/dbraw/zinc/86/92/95/386869295.db2.gz ZEZQXYGQYPSZQB-UHFFFAOYSA-N 0 3 231.339 2.133 10 30 BEEEHN C[C@H](NCC#Cc1ccccc1)[C@H]1CCCO1 ZINC000051814134 386869850 /nfs/dbraw/zinc/86/98/50/386869850.db2.gz FZBSFMUWOQDZIO-DZGCQCFKSA-N 0 3 229.323 2.195 10 30 BEEEHN C[C@@H]1C[C@@H]1NCc1ccc(C#N)cc1F ZINC000052288155 387469940 /nfs/dbraw/zinc/46/99/40/387469940.db2.gz GARGIXJHYVRCAK-PELKAZGASA-N 0 3 204.248 2.195 10 30 BEEEHN C=C(C)CN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000171503552 387828316 /nfs/dbraw/zinc/82/83/16/387828316.db2.gz SJVLEYCKJZDZPF-LBPRGKRZSA-N 0 3 235.331 2.209 10 30 BEEEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCCCC#N ZINC000083704479 388059274 /nfs/dbraw/zinc/05/92/74/388059274.db2.gz QIZUOCUILZZCJJ-ZIAGYGMSSA-N 0 3 235.375 2.239 10 30 BEEEHN C=CCN1C[C@H]2CCCCN2C[C@H]1CC ZINC000086929558 388109963 /nfs/dbraw/zinc/10/99/63/388109963.db2.gz SNFBJEUJVGMCSM-CHWSQXEVSA-N 0 3 208.349 2.121 10 30 BEEEHN C=C(Cl)CN1C[C@@H]2CCCN2C[C@H]1CC ZINC000246275745 388628422 /nfs/dbraw/zinc/62/84/22/388628422.db2.gz MXBYKDOGNVIMKA-NEPJUHHUSA-N 0 3 228.767 2.298 10 30 BEEEHN N#Cc1ccc(N2C[C@H]3CCC[C@@H](C2)N3)c(F)c1 ZINC000334991314 135859692 /nfs/dbraw/zinc/85/96/92/135859692.db2.gz DFJVSPUVAAEWEW-TXEJJXNPSA-N 0 3 245.301 2.028 10 30 BEEEHN C#CCNC[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000053585848 166187665 /nfs/dbraw/zinc/18/76/65/166187665.db2.gz MXJXCHTYBVYCKL-GFCCVEGCSA-N 0 3 229.323 2.165 10 30 BEEEHN C#CCNC[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962293 166187762 /nfs/dbraw/zinc/18/77/62/166187762.db2.gz WESWFLNZHNRPSY-CYBMUJFWSA-N 0 3 239.322 2.334 10 30 BEEEHN C#CCNC[C@@H](C)OC/C=C/c1ccccc1 ZINC000053559890 166187806 /nfs/dbraw/zinc/18/78/06/166187806.db2.gz OQITUJBFRLAZHA-DNGMOHDESA-N 0 3 229.323 2.328 10 30 BEEEHN C#CCNC[C@H](C)OCCCc1ccccc1 ZINC000053592016 166188873 /nfs/dbraw/zinc/18/88/73/166188873.db2.gz WAVCQUQTPBYBRQ-AWEZNQCLSA-N 0 3 231.339 2.247 10 30 BEEEHN C#CCNC[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000053585847 166188867 /nfs/dbraw/zinc/18/88/67/166188867.db2.gz MXJXCHTYBVYCKL-LBPRGKRZSA-N 0 3 229.323 2.165 10 30 BEEEHN C=CCN(C(=O)C[C@@H](N)c1ccccc1)C(C)C ZINC000037817756 166309135 /nfs/dbraw/zinc/30/91/35/166309135.db2.gz YOCBNNDSIBPXIE-CQSZACIVSA-N 0 3 246.354 2.500 10 30 BEEEHN C=CCN(C(=O)[C@@](C)(N)CCC)C1CCCC1 ZINC000037817696 166311395 /nfs/dbraw/zinc/31/13/95/166311395.db2.gz OJISHNIYVDDIOM-AWEZNQCLSA-N 0 3 238.375 2.461 10 30 BEEEHN C=CCN(CC=C)c1nc(C)cc(C)c1CN ZINC000051396100 166339973 /nfs/dbraw/zinc/33/99/73/166339973.db2.gz JKYHCEPMFJAFGX-UHFFFAOYSA-N 0 3 231.343 2.336 10 30 BEEEHN C=CCN1c2ccc(OC)cc2N2CCCN=C12 ZINC000005330256 166352930 /nfs/dbraw/zinc/35/29/30/166352930.db2.gz KWBSVWRWIQYHPC-UHFFFAOYSA-N 0 3 243.310 2.267 10 30 BEEEHN CCC(C)(C)C(=O)Nc1cccc(C#CCN)c1 ZINC000054403975 168269431 /nfs/dbraw/zinc/26/94/31/168269431.db2.gz HGOZQTWFTIRQMC-UHFFFAOYSA-N 0 3 244.338 2.372 10 30 BEEEHN C=CCOc1ccccc1CNC1CC(CO)C1 ZINC000657808158 411601127 /nfs/dbraw/zinc/60/11/27/411601127.db2.gz CCZAEOJRULHAMB-UHFFFAOYSA-N 0 3 247.338 2.112 10 30 BEEEHN CC[C@@](C)(O)CN[C@H](C)c1ccc(C#N)s1 ZINC000127419679 171186186 /nfs/dbraw/zinc/18/61/86/171186186.db2.gz ITAPJENMOPQSCO-BXKDBHETSA-N 0 3 238.356 2.431 10 30 BEEEHN CN(Cc1ccc(C#CCO)cc1F)CC1CC1 ZINC000049613547 172845529 /nfs/dbraw/zinc/84/55/29/172845529.db2.gz XAVBQBHIPAVFCF-UHFFFAOYSA-N 0 3 247.313 2.011 10 30 BEEEHN CN1CCCC[C@@H]1CNc1cccc(C#N)c1 ZINC000054239874 173004963 /nfs/dbraw/zinc/00/49/63/173004963.db2.gz NKHWUZMXCSGGPS-CQSZACIVSA-N 0 3 229.327 2.454 10 30 BEEEHN CN1CC[C@@H](Nc2ccc(C#N)c(Cl)c2)C1 ZINC000061846300 173126508 /nfs/dbraw/zinc/12/65/08/173126508.db2.gz AXXQRBPWYWMBAE-LLVKDONJSA-N 0 3 235.718 2.328 10 30 BEEEHN CN1CC[C@H](Nc2ccc(Cl)cc2C#N)C1 ZINC000052857752 173154941 /nfs/dbraw/zinc/15/49/41/173154941.db2.gz ZNGPYCVEDMVEAX-NSHDSACASA-N 0 3 235.718 2.328 10 30 BEEEHN CN1[C@@H]2CC[C@H]1CC(C#N)(N1CCCCCC1)C2 ZINC000038086065 173206713 /nfs/dbraw/zinc/20/67/13/173206713.db2.gz DWNSDFMAFQKWSI-YIONKMFJSA-N 0 3 247.386 2.381 10 30 BEEEHN C[C@@H]1CC(C)(C)C[C@](C#N)(NCCN(C)C)C1 ZINC000037940651 176052328 /nfs/dbraw/zinc/05/23/28/176052328.db2.gz YCGYLZTUEHYWAL-TZMCWYRMSA-N 0 3 237.391 2.246 10 30 BEEEHN C[C@@H]1CN=C(NCc2cccc(C#N)c2)S1 ZINC000051667918 176324338 /nfs/dbraw/zinc/32/43/38/176324338.db2.gz FCTRIRGYFTVUKR-SECBINFHSA-N 0 3 231.324 2.139 10 30 BEEEHN C[C@H]1CCCCN1Cc1cccc(/C(N)=N/O)c1 ZINC000019479093 177076408 /nfs/dbraw/zinc/07/64/08/177076408.db2.gz GHMCNSDXSISWTG-NSHDSACASA-N 0 3 247.342 2.156 10 30 BEEEHN C[C@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000124326251 177111086 /nfs/dbraw/zinc/11/10/86/177111086.db2.gz SAQGSKZBUJUMPB-NSHDSACASA-N 0 3 240.310 2.190 10 30 BEEEHN C[C@@H]1C[C@@H](CNCc2ccc(C#N)o2)C[C@H](C)O1 ZINC000282401550 177363044 /nfs/dbraw/zinc/36/30/44/177363044.db2.gz YPNCIAQBUOKFPQ-ZSBIGDGJSA-N 0 3 248.326 2.444 10 30 BEEEHN C[C@H]1C[C@H]1NCc1ccc(C#N)cc1F ZINC000052288164 177385319 /nfs/dbraw/zinc/38/53/19/177385319.db2.gz GARGIXJHYVRCAK-QPUJVOFHSA-N 0 3 204.248 2.195 10 30 BEEEHN COC[C@@H](C)NCC#Cc1ccccc1Cl ZINC000309497205 487978438 /nfs/dbraw/zinc/97/84/38/487978438.db2.gz YSFOALZLPYVRJE-LLVKDONJSA-N 0 3 237.730 2.316 10 30 BEEEHN C=C(CN[C@@H]1CCCOC1)c1ccccc1 ZINC000132310852 491135236 /nfs/dbraw/zinc/13/52/36/491135236.db2.gz XOMCETYBSSJQSS-CQSZACIVSA-N 0 3 217.312 2.468 10 30 BEEEHN C=CCCCN(C)CCn1c(C)csc1=O ZINC000121046453 534707613 /nfs/dbraw/zinc/70/76/13/534707613.db2.gz KCQMMIYHGFGUDP-UHFFFAOYSA-N 0 3 240.372 2.116 10 30 BEEEHN C=CCCCN(C)[C@H](C)C(=O)NCCCC ZINC000121158456 534713555 /nfs/dbraw/zinc/71/35/55/534713555.db2.gz FTGNINNBFJDHOB-GFCCVEGCSA-N 0 3 226.364 2.189 10 30 BEEEHN C=CCN1C[C@@H]2CCCCN2C[C@H]1CC ZINC000251858381 534855382 /nfs/dbraw/zinc/85/53/82/534855382.db2.gz SNFBJEUJVGMCSM-OLZOCXBDSA-N 0 3 208.349 2.121 10 30 BEEEHN C=CC[C@@H](N)C(=O)CCCOCc1ccccc1 ZINC000310016183 566342536 /nfs/dbraw/zinc/34/25/36/566342536.db2.gz OETIIEABVDHRNU-CQSZACIVSA-N 0 3 247.338 2.456 10 30 BEEEHN CO[C@@H]1CC[C@H](N[C@H]2CCCC[C@H]2C#N)C1 ZINC000300366442 585501417 /nfs/dbraw/zinc/50/14/17/585501417.db2.gz WJHKRTOLWYOLOF-RVMXOQNASA-N 0 3 222.332 2.226 10 30 BEEEHN CO[C@@H]1CC[C@H](N[C@@H]2CCCC[C@H]2C#N)C1 ZINC000300366444 585501447 /nfs/dbraw/zinc/50/14/47/585501447.db2.gz WJHKRTOLWYOLOF-WUHRBBMRSA-N 0 3 222.332 2.226 10 30 BEEEHN CO[C@@H]1CC[C@H](N[C@H]2CCCC[C@@H]2C#N)C1 ZINC000300366447 585501453 /nfs/dbraw/zinc/50/14/53/585501453.db2.gz WJHKRTOLWYOLOF-XQHKEYJVSA-N 0 3 222.332 2.226 10 30 BEEEHN CCCC(=O)O[C@H](C)C#CCN(CC)CC ZINC000119422175 589283478 /nfs/dbraw/zinc/28/34/78/589283478.db2.gz FGMLHQXCUBOPLN-GFCCVEGCSA-N 0 3 225.332 2.063 10 30 BEEEHN C=CCN(C)C[C@@H](O)c1cc(C)cc(C)c1 ZINC000121180864 589512436 /nfs/dbraw/zinc/51/24/36/589512436.db2.gz OELXSBBGDGCNML-CQSZACIVSA-N 0 3 219.328 2.455 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NCC1(O)CCCCC1 ZINC000087029126 644495548 /nfs/dbraw/zinc/49/55/48/644495548.db2.gz WWCMSRIKJRAMQS-QWHCGFSZSA-N 0 3 236.359 2.354 10 30 BEEEHN Cc1ccc([C@H](C)NCCO[C@@H](C)C#N)o1 ZINC000304277017 644884357 /nfs/dbraw/zinc/88/43/57/644884357.db2.gz WQFLCVMBAIEOET-QWRGUYRKSA-N 0 3 222.288 2.167 10 30 BEEEHN C=C(C)CN1CCC[C@H](c2nncn2CC)C1 ZINC000161415680 349443035 /nfs/dbraw/zinc/44/30/35/349443035.db2.gz SMAWNLAJNIYCNL-LBPRGKRZSA-N 0 3 234.347 2.054 10 30 BEEEHN N#CCC[C@H](C#N)CN[C@@H]1CCC[C@H]2C[C@H]21 ZINC000393936231 344005594 /nfs/dbraw/zinc/00/55/94/344005594.db2.gz CCFDHBICWIXDHY-YVECIDJPSA-N 0 3 217.316 2.208 10 30 BEEEHN C#CC[NH2+]Cc1c([O-])ccc2ccccc21 ZINC000019875430 187206263 /nfs/dbraw/zinc/20/62/63/187206263.db2.gz VUPNBJZDUQOIEM-UHFFFAOYSA-N 0 3 211.264 2.268 10 30 BEEEHN CC(C#N)C(=O)N1CCC(c2nccs2)CC1 ZINC000335909365 136261828 /nfs/dbraw/zinc/26/18/28/136261828.db2.gz DALSRJPUSQWOFO-SECBINFHSA-N 0 3 249.339 2.009 10 30 BEEEHN CC(=NNC(=N)N)c1ccc2ccccc2c1 ZINC000006672970 187248960 /nfs/dbraw/zinc/24/89/60/187248960.db2.gz GORCRNRBOCCASF-CXUHLZMHSA-N 0 3 226.283 2.047 10 30 BEEEHN C=C[C@@H](N)c1cccc2c1OC(F)(F)O2 ZINC000095643478 187347798 /nfs/dbraw/zinc/34/77/98/187347798.db2.gz HOYYTSLDJYYJQZ-SSDOTTSWSA-N 0 3 213.183 2.194 10 30 BEEEHN O=CC1(CN2CCSCC2)CCCCC1 ZINC000051176191 346975172 /nfs/dbraw/zinc/97/51/72/346975172.db2.gz GHZSBAPXNLITDC-UHFFFAOYSA-N 0 3 227.373 2.185 10 30 BEEEHN C=CCN(CC=C)c1cc(NC)nc(C)n1 ZINC000409427537 343801272 /nfs/dbraw/zinc/80/12/72/343801272.db2.gz ALPHMEIEHXYDSY-UHFFFAOYSA-N 0 3 218.304 2.005 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1NCCC[C@@H]1CCOC1 ZINC000402139225 349867611 /nfs/dbraw/zinc/86/76/11/349867611.db2.gz JMOJWAPKSXDRBR-AGIUHOORSA-N 0 3 222.332 2.085 10 30 BEEEHN CC(C)[C@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000135410584 344266342 /nfs/dbraw/zinc/26/63/42/344266342.db2.gz IIIUGLJNTNMOIL-ZDUSSCGKSA-N 0 3 229.327 2.431 10 30 BEEEHN CC[C@H](NCc1ccc(C#N)o1)[C@H]1CCCO1 ZINC000119794872 344549679 /nfs/dbraw/zinc/54/96/79/344549679.db2.gz ZZXAUPCIAASPKU-QWHCGFSZSA-N 0 3 234.299 2.198 10 30 BEEEHN CC[C@H](NCc1ccc(C#N)o1)[C@@H]1CCCO1 ZINC000119794579 344549903 /nfs/dbraw/zinc/54/99/03/344549903.db2.gz ZZXAUPCIAASPKU-STQMWFEESA-N 0 3 234.299 2.198 10 30 BEEEHN CN/C(Cc1ccc2ccccc2c1[O-])=[NH+]\C ZINC000029416060 344601904 /nfs/dbraw/zinc/60/19/04/344601904.db2.gz VCQAUROZTBTCTO-UHFFFAOYSA-N 0 3 228.295 2.336 10 30 BEEEHN C=CCCCN(C)C(=O)[C@H]1CCCCN1CC ZINC000135667271 344842182 /nfs/dbraw/zinc/84/21/82/344842182.db2.gz XUUPIANMSVSVEI-CYBMUJFWSA-N 0 3 238.375 2.285 10 30 BEEEHN CC(C)C[C@H](CN(C)C)NCc1ccc(C#N)o1 ZINC000135173659 187298231 /nfs/dbraw/zinc/29/82/31/187298231.db2.gz YXNRGAASGKGKDS-GFCCVEGCSA-N 0 3 249.358 2.217 10 30 BEEEHN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000248603696 345431313 /nfs/dbraw/zinc/43/13/13/345431313.db2.gz BLHCJVNCCVRKKL-CHWSQXEVSA-N 0 3 238.375 2.189 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921458 345714410 /nfs/dbraw/zinc/71/44/10/345714410.db2.gz CVCULQPVWGKGII-QNWJLWSRSA-N 0 3 204.317 2.457 10 30 BEEEHN O=CC[C@H]1CCCN(Cc2ccccc2)C1 ZINC000034181439 345818943 /nfs/dbraw/zinc/81/89/43/345818943.db2.gz VSBXJHJSMPWUDO-CQSZACIVSA-N 0 3 217.312 2.488 10 30 BEEEHN C[C@@H]1OCC[C@@H]1CN[C@H]1CCCC[C@@H]1C#N ZINC000300379924 345804725 /nfs/dbraw/zinc/80/47/25/345804725.db2.gz MCTPMZLHHMLRSU-LOWDOPEQSA-N 0 3 222.332 2.083 10 30 BEEEHN C[C@@H](N)C#Cc1sccc1Br ZINC000167006411 346178976 /nfs/dbraw/zinc/17/89/76/346178976.db2.gz JBBLMAGYWULDHU-ZCFIWIBFSA-N 0 3 230.130 2.209 10 30 BEEEHN COC1(CN[C@H]2CCC[C@@H]2C#N)CCCC1 ZINC000309558784 347101242 /nfs/dbraw/zinc/10/12/42/347101242.db2.gz KKFIQFLUDKTTBN-NEPJUHHUSA-N 0 3 222.332 2.227 10 30 BEEEHN COC1(CCN[C@@H]2CCC[C@H]2C#N)CCC1 ZINC000310537564 347292860 /nfs/dbraw/zinc/29/28/60/347292860.db2.gz BCRFCWWLUGMBPN-NWDGAFQWSA-N 0 3 222.332 2.227 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@H]1C#N)C1CCOCC1 ZINC000300566794 347254509 /nfs/dbraw/zinc/25/45/09/347254509.db2.gz CTYYFOBVUSEWTJ-FPMFFAJLSA-N 0 3 236.359 2.473 10 30 BEEEHN COCCCCN[C@@H]1CCCC[C@@H]1C#N ZINC000054827734 348678509 /nfs/dbraw/zinc/67/85/09/348678509.db2.gz NFSFEIRQKIUGQB-VXGBXAGGSA-N 0 3 210.321 2.085 10 30 BEEEHN C=C(C)C(=O)N1CCCc2c(CN)cccc21 ZINC000616572723 349062934 /nfs/dbraw/zinc/06/29/34/349062934.db2.gz UIFXCLPGAOACAY-UHFFFAOYSA-N 0 3 230.311 2.001 10 30 BEEEHN Cc1ccc(CN2C[C@@H](C)C[C@H](O)C2)cc1C#N ZINC000599434475 349173786 /nfs/dbraw/zinc/17/37/86/349173786.db2.gz BHCPPHZYEWFTOS-NHYWBVRUSA-N 0 3 244.338 2.069 10 30 BEEEHN Cc1ccc(CN2CCC[C@H](O)[C@@H]2C)cc1C#N ZINC000599433368 349174284 /nfs/dbraw/zinc/17/42/84/349174284.db2.gz DWPRLGUYMMJKDL-WFASDCNBSA-N 0 3 244.338 2.212 10 30 BEEEHN CC#CCOc1c(Cl)cccc1CN ZINC000159162167 349301476 /nfs/dbraw/zinc/30/14/76/349301476.db2.gz FRPZWCHPVJBXRP-UHFFFAOYSA-N 0 3 209.676 2.201 10 30 BEEEHN C=C(Cl)CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000124327897 350690285 /nfs/dbraw/zinc/69/02/85/350690285.db2.gz KHEFJKRKTPPHSL-NWDGAFQWSA-N 0 3 228.767 2.298 10 30 BEEEHN N#Cc1cccc([C@@H]2CCCCN2CCO)c1 ZINC000616616198 350854692 /nfs/dbraw/zinc/85/46/92/350854692.db2.gz LGMZFPLNJVRUFW-AWEZNQCLSA-N 0 3 230.311 2.078 10 30 BEEEHN C[C@@H]1CSC[C@@H]1N[C@H]1CCCC[C@@H]1C#N ZINC000397974583 350995495 /nfs/dbraw/zinc/99/54/95/350995495.db2.gz OHIBDLQJRGQWAR-WYUUTHIRSA-N 0 3 224.373 2.410 10 30 BEEEHN CC(C)(C)N1CCNC[C@@H]1c1ccccc1C#N ZINC000616637818 351135982 /nfs/dbraw/zinc/13/59/82/351135982.db2.gz RRRHGILKQVVPGR-CQSZACIVSA-N 0 3 243.354 2.303 10 30 BEEEHN CN1CC[C@H](CS)[C@@H]1c1cccnc1 ZINC000044028931 352132216 /nfs/dbraw/zinc/13/22/16/352132216.db2.gz YZZOQRDSBWHFON-MNOVXSKESA-N 0 3 208.330 2.004 10 30 BEEEHN N#Cc1ccc(CNC2CC2)c(Cl)c1 ZINC000164199546 352566967 /nfs/dbraw/zinc/56/69/67/352566967.db2.gz LTLIENOEUXWMIA-UHFFFAOYSA-N 0 3 206.676 2.464 10 30 BEEEHN C#C[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000166442745 188052015 /nfs/dbraw/zinc/05/20/15/188052015.db2.gz HWQZQWMFSUFOSM-VHSXEESVSA-N 0 3 219.284 2.073 10 30 BEEEHN C#C[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000166442745 188052017 /nfs/dbraw/zinc/05/20/17/188052017.db2.gz HWQZQWMFSUFOSM-VHSXEESVSA-N 0 3 219.284 2.073 10 30 BEEEHN C#CCNCc1ccc(OC(C)C)cc1 ZINC000037184829 188255457 /nfs/dbraw/zinc/25/54/57/188255457.db2.gz WWFUQDMFLSGVDO-UHFFFAOYSA-N 0 3 203.285 2.197 10 30 BEEEHN CC(C)[C@H](N)C#Cc1occc1Br ZINC000300977511 363247980 /nfs/dbraw/zinc/24/79/80/363247980.db2.gz SZDMNFZSAPYUQK-SECBINFHSA-N 0 3 242.116 2.377 10 30 BEEEHN C=CCOCCN[C@@H]1CCc2c1cccc2O ZINC000296598753 353825288 /nfs/dbraw/zinc/82/52/88/353825288.db2.gz GATUPPPSKQUVEX-CYBMUJFWSA-N 0 3 233.311 2.172 10 30 BEEEHN N#CCCN([C@@H](CN)c1cccc(F)c1)C1CC1 ZINC000042972982 181037168 /nfs/dbraw/zinc/03/71/68/181037168.db2.gz ZFGNHKIQYWZVIR-AWEZNQCLSA-N 0 3 247.317 2.204 10 30 BEEEHN N#CCCN([C@H](CN)c1ccc(F)cc1)C1CC1 ZINC000042915611 181037195 /nfs/dbraw/zinc/03/71/95/181037195.db2.gz MRKUPNAKQVLAAI-CQSZACIVSA-N 0 3 247.317 2.204 10 30 BEEEHN N#CCCN([C@@H](CN)c1ccccc1F)C1CC1 ZINC000043045656 181037408 /nfs/dbraw/zinc/03/74/08/181037408.db2.gz MPDPLNPHXMPRID-AWEZNQCLSA-N 0 3 247.317 2.204 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NCCN1CCCCC1 ZINC000054827344 181058630 /nfs/dbraw/zinc/05/86/30/181058630.db2.gz CMFCFLBHCFUQSR-UONOGXRCSA-N 0 3 235.375 2.144 10 30 BEEEHN N#C[C@H]1CCCCC[C@H]1NC1CCOCC1 ZINC000054825377 181067702 /nfs/dbraw/zinc/06/77/02/181067702.db2.gz JQEIVZYFWNVVOT-DGCLKSJQSA-N 0 3 222.332 2.227 10 30 BEEEHN N#C[C@H]1CCC[C@H]1N(CCO)C1CCCCC1 ZINC000042505766 181069331 /nfs/dbraw/zinc/06/93/31/181069331.db2.gz PBRFUVCQACJVOE-TZMCWYRMSA-N 0 3 236.359 2.306 10 30 BEEEHN N#Cc1cc(Nc2ccncc2N)ccc1F ZINC000051636115 181091344 /nfs/dbraw/zinc/09/13/44/181091344.db2.gz GXVZFUDEBBRMRT-UHFFFAOYSA-N 0 3 228.230 2.418 10 30 BEEEHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2O)s1 ZINC000135500472 181109294 /nfs/dbraw/zinc/10/92/94/181109294.db2.gz QLINTDYOOZURDF-NEPJUHHUSA-N 0 3 236.340 2.013 10 30 BEEEHN N#Cc1ccc(N[C@@H]2CN3CCC2CC3)cc1 ZINC000019867653 181125764 /nfs/dbraw/zinc/12/57/64/181125764.db2.gz KANRALPOESVLSJ-CQSZACIVSA-N 0 3 227.311 2.064 10 30 BEEEHN C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1CCC#N ZINC000346711008 355102611 /nfs/dbraw/zinc/10/26/11/355102611.db2.gz XODQRVSHNJIQCG-IHRRRGAJSA-N 0 3 236.359 2.306 10 30 BEEEHN C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1CCC#N ZINC000346711011 355102741 /nfs/dbraw/zinc/10/27/41/355102741.db2.gz XODQRVSHNJIQCG-RDBSUJKOSA-N 0 3 236.359 2.306 10 30 BEEEHN Clc1cccc(NC2=NCCN2)c1Cl ZINC000026181951 356799732 /nfs/dbraw/zinc/79/97/32/356799732.db2.gz ZWUOCJWGWZIVTC-UHFFFAOYSA-N 0 3 230.098 2.174 10 30 BEEEHN CC#CCCN1C[C@H]2CCCCN2C[C@H]1CC ZINC000159344200 538876832 /nfs/dbraw/zinc/87/68/32/538876832.db2.gz QYKFPTLQTHVFJH-HUUCEWRRSA-N 0 3 234.387 2.349 10 30 BEEEHN C[C@H](N[C@H]1CCC[C@@H]1C#N)C1CCOCC1 ZINC000235536017 357878442 /nfs/dbraw/zinc/87/84/42/357878442.db2.gz HMWOCMYHGGFSFN-UHTWSYAYSA-N 0 3 222.332 2.083 10 30 BEEEHN N#Cc1ccccc1CN1CCC[C@@H]1CCCO ZINC000052759559 358229886 /nfs/dbraw/zinc/22/98/86/358229886.db2.gz UUTIUPDGCJTWIP-OAHLLOKOSA-N 0 3 244.338 2.295 10 30 BEEEHN COc1cccc([C@H](C#N)CCN(C)C)c1 ZINC000041231564 358255240 /nfs/dbraw/zinc/25/52/40/358255240.db2.gz DQSXLAVVLLKLAR-LBPRGKRZSA-N 0 3 218.300 2.254 10 30 BEEEHN C=CCCN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000218968647 134268833 /nfs/dbraw/zinc/26/88/33/134268833.db2.gz XNFKAJGIIXMXFZ-STQMWFEESA-N 0 3 208.349 2.121 10 30 BEEEHN C/C(=N\CC[NH+](C)C)c1cc(Cl)ccc1[O-] ZINC000584635580 358319526 /nfs/dbraw/zinc/31/95/26/358319526.db2.gz OSOCDIKGKWCAMD-NTEUORMPSA-N 0 3 240.734 2.416 10 30 BEEEHN C=CCNC(=O)CN1CCC[C@]2(CC=CCC2)C1 ZINC000114494566 358448925 /nfs/dbraw/zinc/44/89/25/358448925.db2.gz BAULRJAQCAMTPD-OAHLLOKOSA-N 0 3 248.370 2.111 10 30 BEEEHN N#CCCCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000043425436 358537797 /nfs/dbraw/zinc/53/77/97/358537797.db2.gz RWGUZYXRMIJPLC-STQMWFEESA-N 0 3 222.332 2.324 10 30 BEEEHN C=CCOc1ccc(CNC2(CO)CCC2)cc1 ZINC000133144559 358747149 /nfs/dbraw/zinc/74/71/49/358747149.db2.gz LXANECAFDARPTE-UHFFFAOYSA-N 0 3 247.338 2.256 10 30 BEEEHN CN(Cc1ccccc1)[C@@H]1CCC[C@](N)(C#N)C1 ZINC000403386662 358944143 /nfs/dbraw/zinc/94/41/43/358944143.db2.gz GNXNWHLJDILBAO-HUUCEWRRSA-N 0 3 243.354 2.282 10 30 BEEEHN CCNCc1ccc(F)c(C#N)c1Cl ZINC000306158139 358953310 /nfs/dbraw/zinc/95/33/10/358953310.db2.gz DHRZJXQAWKDXIZ-UHFFFAOYSA-N 0 3 212.655 2.460 10 30 BEEEHN C=C(Br)CN[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000306264653 359485930 /nfs/dbraw/zinc/48/59/30/359485930.db2.gz CMCLSZOSAMAIBH-HRDYMLBCSA-N 0 3 216.122 2.283 10 30 BEEEHN C#CCNCc1ccc(OCC)c(Cl)c1 ZINC000045945330 359745968 /nfs/dbraw/zinc/74/59/68/359745968.db2.gz IBEDTVKAOKJRDK-UHFFFAOYSA-N 0 3 223.703 2.462 10 30 BEEEHN C#CCNCc1ccc(OCCC)c(OC)c1 ZINC000045945351 359746267 /nfs/dbraw/zinc/74/62/67/359746267.db2.gz PCMMEIZETJJQDW-UHFFFAOYSA-N 0 3 233.311 2.207 10 30 BEEEHN C[C@@H]1c2ccsc2CCN1CC[C@@H]1CO1 ZINC000306600864 360528042 /nfs/dbraw/zinc/52/80/42/360528042.db2.gz ACQVTXBHRYDNJC-NXEZZACHSA-N 0 3 223.341 2.456 10 30 BEEEHN COCC#CCN[C@@H](C)c1ccccc1C ZINC000309629701 491153133 /nfs/dbraw/zinc/15/31/33/491153133.db2.gz HJHYSQKVXRLEDL-ZDUSSCGKSA-N 0 3 217.312 2.295 10 30 BEEEHN N#Cc1ccc(OCCN2C[C@H]3CCC[C@H]32)cc1 ZINC000435198409 201255444 /nfs/dbraw/zinc/25/54/44/201255444.db2.gz YHFUREAASMGSQR-UKRRQHHQSA-N 0 3 242.322 2.421 10 30 BEEEHN CSCCCN[C@H]1CCCC[C@@H]1C#N ZINC000069001132 370871972 /nfs/dbraw/zinc/87/19/72/370871972.db2.gz RFHINRRYPGGINU-MNOVXSKESA-N 0 3 212.362 2.411 10 30 BEEEHN C=C(C)C[C@H](N)c1ccc(S(C)(=O)=O)cc1 ZINC000130904325 370171955 /nfs/dbraw/zinc/17/19/55/370171955.db2.gz BEAXFXVONYGUEZ-LBPRGKRZSA-N 0 3 239.340 2.056 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1N[C@H]1CCCOCC1 ZINC000309534737 370224748 /nfs/dbraw/zinc/22/47/48/370224748.db2.gz DWISNOANPZSJDN-AVGNSLFASA-N 0 3 222.332 2.227 10 30 BEEEHN CO[C@H](CN[C@@H]1CCCC[C@H]1C#N)C1CC1 ZINC000378736489 371016774 /nfs/dbraw/zinc/01/67/74/371016774.db2.gz GREHVOAUHUEGLT-YNEHKIRRSA-N 0 3 222.332 2.083 10 30 BEEEHN C[C@]1(C(=O)Nc2cccc(C#N)c2)CCCCN1 ZINC000133070097 371981495 /nfs/dbraw/zinc/98/14/95/371981495.db2.gz VBHWNCUHQRDLPH-CQSZACIVSA-N 0 3 243.310 2.029 10 30 BEEEHN C=C(Br)CNC1CC=CC1 ZINC000132908571 371948021 /nfs/dbraw/zinc/94/80/21/371948021.db2.gz IKTXFVNGTYIPRI-UHFFFAOYSA-N 0 3 202.095 2.203 10 30 BEEEHN C#CCC[C@H](N)c1ncccc1Br ZINC000133207554 372006284 /nfs/dbraw/zinc/00/62/84/372006284.db2.gz ABDVCVROPNLROS-VIFPVBQESA-N 0 3 239.116 2.257 10 30 BEEEHN C=C[C@@H](C)Nc1cc(N)ncc1Br ZINC000307364627 372115366 /nfs/dbraw/zinc/11/53/66/372115366.db2.gz ITFKYFIHRQXTRI-ZCFIWIBFSA-N 0 3 242.120 2.413 10 30 BEEEHN CNCC#Cc1cscc1Br ZINC000229454647 372154391 /nfs/dbraw/zinc/15/43/91/372154391.db2.gz SEIMRAHJXWIEQZ-UHFFFAOYSA-N 0 3 230.130 2.082 10 30 BEEEHN CNCC#Cc1cc(Br)ccc1F ZINC000229454762 372154778 /nfs/dbraw/zinc/15/47/78/372154778.db2.gz PNAPRHMJLGEREP-UHFFFAOYSA-N 0 3 242.091 2.159 10 30 BEEEHN CCN(CCC#N)[C@H](CN)c1ccccc1C ZINC000043037043 169815173 /nfs/dbraw/zinc/81/51/73/169815173.db2.gz XPQQNACLUDIDEW-CQSZACIVSA-N 0 3 231.343 2.230 10 30 BEEEHN CCCN(C)Cc1ccc(F)c(C#CCCO)c1 ZINC000049617743 169081007 /nfs/dbraw/zinc/08/10/07/169081007.db2.gz LMMCHUIKOUYTQW-UHFFFAOYSA-N 0 3 249.329 2.401 10 30 BEEEHN N#Cc1cc(F)ccc1N1C[C@H]2CCC[C@@H](C1)N2 ZINC000334993402 384007212 /nfs/dbraw/zinc/00/72/12/384007212.db2.gz QFAWSJHANSZHHX-BETUJISGSA-N 0 3 245.301 2.028 10 30 BEEEHN CCc1nccn1[C@H]1CCCN(CCCC#N)C1 ZINC000105896894 384885828 /nfs/dbraw/zinc/88/58/28/384885828.db2.gz QWBPTNYTEHZMDX-ZDUSSCGKSA-N 0 3 246.358 2.386 10 30 BEEEHN C[C@@H](NCc1ccc(F)c(C#N)c1)[C@@H]1CCCO1 ZINC000136256619 385003673 /nfs/dbraw/zinc/00/36/73/385003673.db2.gz ATSNCYUKEMVCKA-YGRLFVJLSA-N 0 3 248.301 2.354 10 30 BEEEHN C=CCCCN(C)Cc1c(C)n[nH]c1C ZINC000128885158 385081443 /nfs/dbraw/zinc/08/14/43/385081443.db2.gz DYHDDTCANSBRBW-UHFFFAOYSA-N 0 3 207.321 2.425 10 30 BEEEHN N#CCCCCN1CC[C@H](Oc2cccnc2)C1 ZINC000152276367 385041984 /nfs/dbraw/zinc/04/19/84/385041984.db2.gz NLAPSCNCYXONQX-AWEZNQCLSA-N 0 3 245.326 2.229 10 30 BEEEHN C[C@@H]1[C@@H](O)CCCN1Cc1ccc(CC#N)cc1 ZINC000336254960 385104646 /nfs/dbraw/zinc/10/46/46/385104646.db2.gz KKQFLRUWMZTMSA-DOMZBBRYSA-N 0 3 244.338 2.098 10 30 BEEEHN CO[C@]1(C)CCN[C@@H](c2ccc(C#N)cc2)C1 ZINC000584599232 385465810 /nfs/dbraw/zinc/46/58/10/385465810.db2.gz YTNNVDFOEBYUMZ-ZIAGYGMSSA-N 0 3 230.311 2.388 10 30 BEEEHN C=CCN[C@H]1c2ccccc2CC[C@@H]1CO ZINC000309528029 385665124 /nfs/dbraw/zinc/66/51/24/385665124.db2.gz BGJBZIMVHYJZIL-TZMCWYRMSA-N 0 3 217.312 2.058 10 30 BEEEHN C[C@H](N[C@@H]1CCC[C@@H]1C#N)[C@H]1CCCOC1 ZINC000309589768 385720863 /nfs/dbraw/zinc/72/08/63/385720863.db2.gz ULSATMDYARTERU-QNWHQSFQSA-N 0 3 222.332 2.083 10 30 BEEEHN C=CCCN1C[C@H]2CCCCN2C[C@@H]1C ZINC000125398470 386251218 /nfs/dbraw/zinc/25/12/18/386251218.db2.gz XNFKAJGIIXMXFZ-QWHCGFSZSA-N 0 3 208.349 2.121 10 30 BEEEHN C[C@@H](NCC#Cc1ccccc1)[C@H]1CCCO1 ZINC000051814135 386869261 /nfs/dbraw/zinc/86/92/61/386869261.db2.gz FZBSFMUWOQDZIO-UKRRQHHQSA-N 0 3 229.323 2.195 10 30 BEEEHN C[C@H]1CC[C@@H](O)CN1Cc1ccc(CC#N)cc1 ZINC000398976016 387032620 /nfs/dbraw/zinc/03/26/20/387032620.db2.gz BMHCSCPMXSHDIW-SWLSCSKDSA-N 0 3 244.338 2.098 10 30 BEEEHN C[C@@H]1C[C@@H](N[C@H]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC000449237454 388160089 /nfs/dbraw/zinc/16/00/89/388160089.db2.gz BPHSKBDYLYXLKL-PPCPHDFISA-N 0 3 222.332 2.224 10 30 BEEEHN C=CCCCC(=O)N[C@H](CC(C)C)CN(C)C ZINC000177767749 388491049 /nfs/dbraw/zinc/49/10/49/388491049.db2.gz KESZXJFZMJBQKO-CYBMUJFWSA-N 0 3 240.391 2.435 10 30 BEEEHN CC(C#N)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000336030939 134058398 /nfs/dbraw/zinc/05/83/98/134058398.db2.gz WQWXDDCSQWJCGY-ZJUUUORDSA-N 0 3 249.339 2.356 10 30 BEEEHN CC(C#N)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000336030938 134058444 /nfs/dbraw/zinc/05/84/44/134058444.db2.gz WQWXDDCSQWJCGY-VHSXEESVSA-N 0 3 249.339 2.356 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1NCCC1CCOCC1 ZINC000309253959 134386571 /nfs/dbraw/zinc/38/65/71/134386571.db2.gz RMCHSAOHABKQEV-QWHCGFSZSA-N 0 3 222.332 2.085 10 30 BEEEHN C#CCNC[C@H](C)OC/C=C/c1ccccc1 ZINC000053559888 166188916 /nfs/dbraw/zinc/18/89/16/166188916.db2.gz OQITUJBFRLAZHA-RNVIBTMRSA-N 0 3 229.323 2.328 10 30 BEEEHN C(#Cc1ccccc1)CNCCc1ccncc1 ZINC000051814173 166225627 /nfs/dbraw/zinc/22/56/27/166225627.db2.gz VDTRBCILFHZXGE-UHFFFAOYSA-N 0 3 236.318 2.265 10 30 BEEEHN C=CCN(C(=O)C[C@H](N)c1ccccc1)C(C)C ZINC000037817755 166309009 /nfs/dbraw/zinc/30/90/09/166309009.db2.gz YOCBNNDSIBPXIE-AWEZNQCLSA-N 0 3 246.354 2.500 10 30 BEEEHN CC(C)NCc1nc(-c2ccc(C#N)cc2)c[nH]1 ZINC000037610489 167124697 /nfs/dbraw/zinc/12/46/97/167124697.db2.gz UTVAXQVJEWKYJW-UHFFFAOYSA-N 0 3 240.310 2.446 10 30 BEEEHN CC(C)N[C@](C)(C#N)CCN(C)C[C@H]1C[C@H]1C ZINC000104423744 167142159 /nfs/dbraw/zinc/14/21/59/167142159.db2.gz FZKSMNZXLUDUET-MCIONIFRSA-N 0 3 237.391 2.245 10 30 BEEEHN CC[C@H](C)[C@@H](N)C(=O)Nc1cccc(F)c1C#N ZINC000036158337 171372013 /nfs/dbraw/zinc/37/20/13/171372013.db2.gz IUUYGLYPVAZPNP-QPUJVOFHSA-N 0 3 249.289 2.009 10 30 BEEEHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@H](N)CCC ZINC000662842393 412318500 /nfs/dbraw/zinc/31/85/00/412318500.db2.gz NUWQQAHFJOFJRM-UPJWGTAASA-N 0 3 238.375 2.365 10 30 BEEEHN CN1CCC(c2ccccc2C#N)CC1 ZINC000075906153 173001672 /nfs/dbraw/zinc/00/16/72/173001672.db2.gz DPHGVTDGBKFKFC-UHFFFAOYSA-N 0 3 200.285 2.367 10 30 BEEEHN CN1CCC[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000042277170 173021004 /nfs/dbraw/zinc/02/10/04/173021004.db2.gz MYVKVIYKTJSFBO-CYBMUJFWSA-N 0 3 215.300 2.064 10 30 BEEEHN CN1CC[C@H](Nc2cc(Cl)ccc2C#N)C1 ZINC000061985147 173154480 /nfs/dbraw/zinc/15/44/80/173154480.db2.gz GPSIWENQZLHUPE-NSHDSACASA-N 0 3 235.718 2.328 10 30 BEEEHN CNCc1nc(-c2ccc(C#N)cc2)cs1 ZINC000053294094 173394455 /nfs/dbraw/zinc/39/44/55/173394455.db2.gz STONNBGMYOTGNN-UHFFFAOYSA-N 0 3 229.308 2.401 10 30 BEEEHN COCCCN(C)[C@@H]1C[C@H](C)CC[C@H]1C#N ZINC000062031467 174220584 /nfs/dbraw/zinc/22/05/84/174220584.db2.gz KKAQJFIZMAPTQV-FRRDWIJNSA-N 0 3 224.348 2.283 10 30 BEEEHN CO[C@@H]1CCC[C@@H]1NCC#Cc1ccccc1 ZINC000051814422 174750061 /nfs/dbraw/zinc/75/00/61/174750061.db2.gz TUZRLIDAUGCJSM-LSDHHAIUSA-N 0 3 229.323 2.195 10 30 BEEEHN COc1ccc(C#CCN)cc1COC1CCC1 ZINC000050521138 175051065 /nfs/dbraw/zinc/05/10/65/175051065.db2.gz GQZLPDTURQNCAW-UHFFFAOYSA-N 0 3 245.322 2.075 10 30 BEEEHN COc1ccc(CNC2=NC[C@H](C)S2)cc1 ZINC000020354387 175083547 /nfs/dbraw/zinc/08/35/47/175083547.db2.gz NMQZKGRBCFOFAY-VIFPVBQESA-N 0 3 236.340 2.276 10 30 BEEEHN COc1ccc2cc(C#CCN)ccc2c1 ZINC000042477888 175223392 /nfs/dbraw/zinc/22/33/92/175223392.db2.gz KECAYYQXUALXMP-UHFFFAOYSA-N 0 3 211.264 2.159 10 30 BEEEHN C[C@@H]1CC(C)(C)C[C@@](C#N)(NCCN(C)C)C1 ZINC000037940649 176051990 /nfs/dbraw/zinc/05/19/90/176051990.db2.gz YCGYLZTUEHYWAL-OCCSQVGLSA-N 0 3 237.391 2.246 10 30 BEEEHN C[C@@H]1CCCN1Cc1ccc(F)cc1C#CCO ZINC000049615252 176108108 /nfs/dbraw/zinc/10/81/08/176108108.db2.gz LXRFCDIRERHNPR-GFCCVEGCSA-N 0 3 247.313 2.154 10 30 BEEEHN C[C@@H]1CCN(Cc2ccc(F)cc2C#CCO)C1 ZINC000049613627 176174132 /nfs/dbraw/zinc/17/41/32/176174132.db2.gz KWYJKDHUSGJGRG-GFCCVEGCSA-N 0 3 247.313 2.011 10 30 BEEEHN C[C@H](CC#N)N(C)[C@@H](CN)c1cccc(F)c1 ZINC000063085388 176596527 /nfs/dbraw/zinc/59/65/27/176596527.db2.gz KOJCIBDBTLPPDR-MFKMUULPSA-N 0 3 235.306 2.059 10 30 BEEEHN C[C@H](S)[C@@H]1NCCc2cccc(F)c21 ZINC000083730141 177025957 /nfs/dbraw/zinc/02/59/57/177025957.db2.gz AUSBTWCUPHWKCT-CPCISQLKSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@H]1CC(C)(C)C[C@@](C#N)(NCCN(C)C)C1 ZINC000037940650 177063784 /nfs/dbraw/zinc/06/37/84/177063784.db2.gz YCGYLZTUEHYWAL-JSGCOSHPSA-N 0 3 237.391 2.246 10 30 BEEEHN CC#CCN(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134251786 325350638 /nfs/dbraw/zinc/35/06/38/325350638.db2.gz WSMOWGWACSTQHH-WFASDCNBSA-N 0 3 229.323 2.334 10 30 BEEEHN COCC#CCN[C@@H](C)c1ccc(C)c(F)c1 ZINC000678793800 488283855 /nfs/dbraw/zinc/28/38/55/488283855.db2.gz KPRMGRJRWKHXNL-LBPRGKRZSA-N 0 3 235.302 2.435 10 30 BEEEHN C=CCCC[N@@H+](C)Cc1nc(CC)cc(=O)[n-]1 ZINC000121286847 534708449 /nfs/dbraw/zinc/70/84/49/534708449.db2.gz DBGDZDQMYYDPMF-UHFFFAOYSA-N 0 3 235.331 2.143 10 30 BEEEHN C=CCCC[N@H+](C)Cc1nc(CC)cc(=O)[n-]1 ZINC000121286847 534708451 /nfs/dbraw/zinc/70/84/51/534708451.db2.gz DBGDZDQMYYDPMF-UHFFFAOYSA-N 0 3 235.331 2.143 10 30 BEEEHN C#CCNC[C@H](C)SCc1occc1C ZINC000757167450 582548642 /nfs/dbraw/zinc/54/86/42/582548642.db2.gz WONZKWVVXDNPON-NSHDSACASA-N 0 3 223.341 2.433 10 30 BEEEHN CS[C@@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000103329176 585098082 /nfs/dbraw/zinc/09/80/82/585098082.db2.gz OFGZIMRWFKSKLE-YUMQZZPRSA-N 0 3 240.353 2.379 10 30 BEEEHN CCN(CC)CC#C[C@H](C)OC(=O)C1CC=CC1 ZINC000119409046 589282088 /nfs/dbraw/zinc/28/20/88/589282088.db2.gz QWCGJLRDDZXCKG-ZDUSSCGKSA-N 0 3 249.354 2.230 10 30 BEEEHN CCCC(=O)O[C@@H](C)C#CCN(CC)CC ZINC000119422049 589282851 /nfs/dbraw/zinc/28/28/51/589282851.db2.gz FGMLHQXCUBOPLN-LBPRGKRZSA-N 0 3 225.332 2.063 10 30 BEEEHN C=CCCCN(C)CC(OCC)OCC ZINC000124357427 589979221 /nfs/dbraw/zinc/97/92/21/589979221.db2.gz MIDKRLHEEUHPDS-UHFFFAOYSA-N 0 3 215.337 2.284 10 30 BEEEHN CCSCCNCc1ccc(C#N)cc1 ZINC000135547620 592017247 /nfs/dbraw/zinc/01/72/47/592017247.db2.gz LJXKUQHXEFNWAE-UHFFFAOYSA-N 0 3 220.341 2.401 10 30 BEEEHN CC(C)C[C@@H](CO)NCC#Cc1ccccc1 ZINC000051814245 631935726 /nfs/dbraw/zinc/93/57/26/631935726.db2.gz XHOKGIXAZDHLJK-HNNXBMFYSA-N 0 3 231.339 2.035 10 30 BEEEHN CC(C)C[C@H](CO)NCC#Cc1ccccc1 ZINC000051814246 631936442 /nfs/dbraw/zinc/93/64/42/631936442.db2.gz XHOKGIXAZDHLJK-OAHLLOKOSA-N 0 3 231.339 2.035 10 30 BEEEHN OCC[C@@H]1CCCCN1CC#Cc1ccccc1 ZINC000051814902 398214541 /nfs/dbraw/zinc/21/45/41/398214541.db2.gz OGBJLDFGQJIPCD-INIZCTEOSA-N 0 3 243.350 2.275 10 30 BEEEHN C#CCNCc1cccc(OC(C)C)c1 ZINC000040639944 342975133 /nfs/dbraw/zinc/97/51/33/342975133.db2.gz OFMZNWXAYNRRPO-UHFFFAOYSA-N 0 3 203.285 2.197 10 30 BEEEHN C=C(Br)CN[C@@H]1CC1(C)C ZINC000045119571 187355140 /nfs/dbraw/zinc/35/51/40/187355140.db2.gz GHQVDHAJJACHQK-SSDOTTSWSA-N 0 3 204.111 2.283 10 30 BEEEHN C=C(C)[C@H](N)c1ccncc1Br ZINC000307648976 343950346 /nfs/dbraw/zinc/95/03/46/343950346.db2.gz HMYZFRYRJPMMTJ-VIFPVBQESA-N 0 3 227.105 2.420 10 30 BEEEHN C=C(C)[C@@H](N)c1ccncc1Br ZINC000307648974 343951062 /nfs/dbraw/zinc/95/10/62/343951062.db2.gz HMYZFRYRJPMMTJ-SECBINFHSA-N 0 3 227.105 2.420 10 30 BEEEHN CC(C)[C@@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000135410564 344266209 /nfs/dbraw/zinc/26/62/09/344266209.db2.gz IIIUGLJNTNMOIL-CYBMUJFWSA-N 0 3 229.327 2.431 10 30 BEEEHN C[C@@H]1CN2CCCC[C@@H]2CN1CC1(CC#N)CC1 ZINC000094446049 344329402 /nfs/dbraw/zinc/32/94/02/344329402.db2.gz WNSIQDTVJRUVSS-ZIAGYGMSSA-N 0 3 247.386 2.239 10 30 BEEEHN COCC(C)(C)CN[C@H]1CCCC[C@H]1C#N ZINC000381060282 344475165 /nfs/dbraw/zinc/47/51/65/344475165.db2.gz KUSLBVKIPUFLJZ-RYUDHWBXSA-N 0 3 224.348 2.331 10 30 BEEEHN C[C@H](N)C#Cc1cccc(Br)c1F ZINC000235489601 344924047 /nfs/dbraw/zinc/92/40/47/344924047.db2.gz PKYVJMPITOBGSL-ZETCQYMHSA-N 0 3 242.091 2.287 10 30 BEEEHN C=CCCCN(C)[C@@H](C)C(=O)N(CC)CC ZINC000121159324 344915346 /nfs/dbraw/zinc/91/53/46/344915346.db2.gz PTKFJKASLFYGOV-LBPRGKRZSA-N 0 3 226.364 2.141 10 30 BEEEHN CC#CCCN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000155561034 187296942 /nfs/dbraw/zinc/29/69/42/187296942.db2.gz QOZZDJXGYGMROR-CQSZACIVSA-N 0 3 231.343 2.242 10 30 BEEEHN CC#CCCN1CCO[C@H]2CCCC[C@@H]21 ZINC000155120934 345068098 /nfs/dbraw/zinc/06/80/98/345068098.db2.gz BVPDOTGSVMNYON-STQMWFEESA-N 0 3 207.317 2.043 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NCC1CCOCC1 ZINC000082544519 345366592 /nfs/dbraw/zinc/36/65/92/345366592.db2.gz DYUWVUNSDMSZEN-QWHCGFSZSA-N 0 3 222.332 2.085 10 30 BEEEHN COc1cc(C#N)ccc1OC[C@H]1CCCN1C ZINC000114019959 345756048 /nfs/dbraw/zinc/75/60/48/345756048.db2.gz UEUHYDRBEWALMW-GFCCVEGCSA-N 0 3 246.310 2.040 10 30 BEEEHN COC1(CN[C@@H]2CCC[C@H]2C#N)CCCC1 ZINC000309558786 347101431 /nfs/dbraw/zinc/10/14/31/347101431.db2.gz KKFIQFLUDKTTBN-NWDGAFQWSA-N 0 3 222.332 2.227 10 30 BEEEHN CN(C)CC/N=C/c1ccc(Cl)cc1 ZINC000196215890 347833306 /nfs/dbraw/zinc/83/33/06/347833306.db2.gz JXHULKXGRRKGHC-UKTHLTGXSA-N 0 3 210.708 2.321 10 30 BEEEHN Cc1ccccc1OCCN1CCC(C=O)CC1 ZINC000054239394 179310260 /nfs/dbraw/zinc/31/02/60/179310260.db2.gz HPKWQHLGHFLNSH-UHFFFAOYSA-N 0 3 247.338 2.285 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@H]1C#N)[C@@H]1CCOC1 ZINC000253071233 347932235 /nfs/dbraw/zinc/93/22/35/347932235.db2.gz NAIQZMJLGPNMQP-WUHRBBMRSA-N 0 3 222.332 2.083 10 30 BEEEHN CCN1CC[C@@H](c2ccccc2C#N)C1 ZINC000616613609 349984190 /nfs/dbraw/zinc/98/41/90/349984190.db2.gz ZOFXTBYPJRAWAQ-GFCCVEGCSA-N 0 3 200.285 2.367 10 30 BEEEHN C=CCN(C(=O)[C@H](N)[C@H](C)CC)C1CCCC1 ZINC000037817666 166310976 /nfs/dbraw/zinc/31/09/76/166310976.db2.gz UWIWCFCYQZDFJT-DGCLKSJQSA-N 0 3 238.375 2.317 10 30 BEEEHN C#CCCN1CCC(O)(Cc2ccccc2)CC1 ZINC000039171213 350113108 /nfs/dbraw/zinc/11/31/08/350113108.db2.gz JNMBUZAZEDOCAV-UHFFFAOYSA-N 0 3 243.350 2.079 10 30 BEEEHN CN1CCC[C@H]1c1cncc(CCC#N)c1 ZINC000218513127 350095219 /nfs/dbraw/zinc/09/52/19/350095219.db2.gz UJVQQGNWXGTASZ-ZDUSSCGKSA-N 0 3 215.300 2.304 10 30 BEEEHN CC(C)(C)[C@H](O)CN[C@H]1CCCC[C@@H]1C#N ZINC000324539905 350307036 /nfs/dbraw/zinc/30/70/36/350307036.db2.gz RMXODFOBJYQBBD-GRYCIOLGSA-N 0 3 224.348 2.065 10 30 BEEEHN CCN1CCCO[C@H](c2cccc(C#N)c2)C1 ZINC000616649874 351180034 /nfs/dbraw/zinc/18/00/34/351180034.db2.gz MUUPEFIMDQUUEV-AWEZNQCLSA-N 0 3 230.311 2.342 10 30 BEEEHN CC(C)(C)N1CCNC[C@H]1c1cccc(C#N)c1 ZINC000616636694 351127099 /nfs/dbraw/zinc/12/70/99/351127099.db2.gz GWADMVFJJAMRBT-AWEZNQCLSA-N 0 3 243.354 2.303 10 30 BEEEHN CC(C)(C)N1CCNC[C@@H]1c1cccc(C#N)c1 ZINC000616636948 351130795 /nfs/dbraw/zinc/13/07/95/351130795.db2.gz GWADMVFJJAMRBT-CQSZACIVSA-N 0 3 243.354 2.303 10 30 BEEEHN CCN1CCO[C@@H](c2cccc(C#N)c2)CC1 ZINC000616666549 351226688 /nfs/dbraw/zinc/22/66/88/351226688.db2.gz YCLNBGBZLASUIX-CQSZACIVSA-N 0 3 230.311 2.342 10 30 BEEEHN CC#CC[C@@H](N)c1coc(Br)c1 ZINC000306956824 351379842 /nfs/dbraw/zinc/37/98/42/351379842.db2.gz SCOPMLCMGMZWFG-MRVPVSSYSA-N 0 3 228.089 2.455 10 30 BEEEHN C=C([C@H](N)[C@@H]1CCCCO1)C(F)(F)F ZINC000307189626 351590080 /nfs/dbraw/zinc/59/00/80/351590080.db2.gz VGPQYRHZMODAOM-YUMQZZPRSA-N 0 3 209.211 2.001 10 30 BEEEHN C[C@@H](CCC#N)N1CCC[C@H]1c1cnn(C)c1 ZINC000276274856 351613403 /nfs/dbraw/zinc/61/34/03/351613403.db2.gz DQNCYJYWGBHIBE-AAEUAGOBSA-N 0 3 232.331 2.249 10 30 BEEEHN C=CC(C)(C)CCNC(=O)[C@@]1(C)CCCCN1 ZINC000638453964 352266879 /nfs/dbraw/zinc/26/68/79/352266879.db2.gz CFUACJCHTQHFLR-CQSZACIVSA-N 0 3 238.375 2.237 10 30 BEEEHN C=CC[C@@H](N)c1nscc1Br ZINC000404797017 352470104 /nfs/dbraw/zinc/47/01/04/352470104.db2.gz IGFBBICWPXCJRB-ZCFIWIBFSA-N 0 3 233.134 2.482 10 30 BEEEHN CNCC#Cc1c(Cl)ccc(F)c1F ZINC000307376202 352476476 /nfs/dbraw/zinc/47/64/76/352476476.db2.gz VFRCCSWXYYUCOA-UHFFFAOYSA-N 0 3 215.630 2.189 10 30 BEEEHN CC(C)OCCCN[C@H]1CCC[C@@H]1C#N ZINC000336745478 352730947 /nfs/dbraw/zinc/73/09/47/352730947.db2.gz BDCPWTMOZWEOBU-NEPJUHHUSA-N 0 3 210.321 2.083 10 30 BEEEHN C#C[C@H](N)c1c(C)cccc1Br ZINC000307712676 353106242 /nfs/dbraw/zinc/10/62/42/353106242.db2.gz XSYXKFNBQIYWSJ-VIFPVBQESA-N 0 3 224.101 2.391 10 30 BEEEHN C#CCNC[C@H](C)N1CCc2sccc2[C@@H]1C ZINC000053495028 188046630 /nfs/dbraw/zinc/04/66/30/188046630.db2.gz FIEXARMZMDTPSS-RYUDHWBXSA-N 0 3 248.395 2.279 10 30 BEEEHN CC(=NNC(=N)N)c1ccc2ccccc2c1 ZINC000027496403 188283036 /nfs/dbraw/zinc/28/30/36/188283036.db2.gz GORCRNRBOCCASF-SXGWCWSVSA-N 0 3 226.283 2.047 10 30 BEEEHN Cc1ccc(OCCN2CCC[C@@H](C=O)C2)cc1 ZINC000054237043 188300640 /nfs/dbraw/zinc/30/06/40/188300640.db2.gz XMQHVKIXFNCXFY-CQSZACIVSA-N 0 3 247.338 2.285 10 30 BEEEHN CC#CCCN1CCC[C@H](n2cc(C)cn2)C1 ZINC000155560927 188329629 /nfs/dbraw/zinc/32/96/29/188329629.db2.gz QOZZDJXGYGMROR-AWEZNQCLSA-N 0 3 231.343 2.242 10 30 BEEEHN CC(C)[C@@H](N)C#Cc1occc1Br ZINC000300977512 363247501 /nfs/dbraw/zinc/24/75/01/363247501.db2.gz SZDMNFZSAPYUQK-VIFPVBQESA-N 0 3 242.116 2.377 10 30 BEEEHN N#C[C@@H]1CCCCC[C@H]1NC1(CO)CCCC1 ZINC000054829846 181058738 /nfs/dbraw/zinc/05/87/38/181058738.db2.gz RRLCEWRXMDBXEC-QWHCGFSZSA-N 0 3 236.359 2.354 10 30 BEEEHN N#Cc1ccc(CN2CCC[C@H]3COC[C@H]32)cc1 ZINC000374345352 181103292 /nfs/dbraw/zinc/10/32/92/181103292.db2.gz LSWMSHMLKHQIPN-LSDHHAIUSA-N 0 3 242.322 2.169 10 30 BEEEHN N#Cc1ccc(CN2CCCSCC2)cc1 ZINC000042294810 181104617 /nfs/dbraw/zinc/10/46/17/181104617.db2.gz MNLWTMVABFJJHI-UHFFFAOYSA-N 0 3 232.352 2.497 10 30 BEEEHN N#Cc1ccc(NCCN2CCCCC2)c(N)c1 ZINC000049574697 181121534 /nfs/dbraw/zinc/12/15/34/181121534.db2.gz QFRRLVCNYIGDOT-UHFFFAOYSA-N 0 3 244.342 2.038 10 30 BEEEHN N#Cc1ccc(F)c(CNC2CCC2)c1 ZINC000052210548 181112587 /nfs/dbraw/zinc/11/25/87/181112587.db2.gz WWNOYWILWPCKEG-UHFFFAOYSA-N 0 3 204.248 2.339 10 30 BEEEHN N#Cc1ccc(N[C@H]2CN3CCC2CC3)cc1 ZINC000019867656 181126032 /nfs/dbraw/zinc/12/60/32/181126032.db2.gz KANRALPOESVLSJ-AWEZNQCLSA-N 0 3 227.311 2.064 10 30 BEEEHN N#Cc1cccc(CNCc2ccc[nH]2)c1 ZINC000051789219 181138318 /nfs/dbraw/zinc/13/83/18/181138318.db2.gz RXFRMCGECDWFFG-UHFFFAOYSA-N 0 3 211.268 2.176 10 30 BEEEHN N#Cc1ccccc1CNCCc1ccccn1 ZINC000020049633 181145865 /nfs/dbraw/zinc/14/58/65/181145865.db2.gz DSVIHOUSAXUAEU-UHFFFAOYSA-N 0 3 237.306 2.286 10 30 BEEEHN CO[C@](C)(CN[C@@H]1CCCC[C@H]1C#N)C1CC1 ZINC000383658234 354803821 /nfs/dbraw/zinc/80/38/21/354803821.db2.gz FUNSFEFARSGJFX-IACUBPJLSA-N 0 3 236.359 2.473 10 30 BEEEHN C=CCNCCC(=O)c1ccc(C)cc1 ZINC000049812664 166398639 /nfs/dbraw/zinc/39/86/39/166398639.db2.gz YSZSMBVHNDJYMU-UHFFFAOYSA-N 0 3 203.285 2.343 10 30 BEEEHN COCCCCCN[C@@H]1CCC[C@H]1C#N ZINC000234624023 363427015 /nfs/dbraw/zinc/42/70/15/363427015.db2.gz BVALMMDHOOAJGA-NWDGAFQWSA-N 0 3 210.321 2.085 10 30 BEEEHN O=C1C=COC12CCN(Cc1ccccc1)CC2 ZINC000675050624 538472477 /nfs/dbraw/zinc/47/24/77/538472477.db2.gz DVNXFIAYIZOBGV-UHFFFAOYSA-N 0 3 243.306 2.134 10 30 BEEEHN C[C@@H]1C[C@H](CN[C@@H]2CCCC[C@@H]2C#N)CCO1 ZINC000388655089 357093380 /nfs/dbraw/zinc/09/33/80/357093380.db2.gz FJVKRGLYJBPRRE-AAVRWANBSA-N 0 3 236.359 2.473 10 30 BEEEHN C#C[C@H](NCC)[C@@H]1CS[C@@H](C)[C@H](C)S1 ZINC000300031776 357173999 /nfs/dbraw/zinc/17/39/99/357173999.db2.gz UJNADOJFVZNFBI-NAKRPEOUSA-N 0 3 229.414 2.223 10 30 BEEEHN N#Cc1ccccc1OCCN1C[C@H]2CCC[C@H]21 ZINC000351224314 358163488 /nfs/dbraw/zinc/16/34/88/358163488.db2.gz JZYXMOSXSYDLTJ-ZIAGYGMSSA-N 0 3 242.322 2.421 10 30 BEEEHN C#C[C@@H](N)c1ccc(C)c(Br)c1 ZINC000130169677 358569480 /nfs/dbraw/zinc/56/94/80/358569480.db2.gz AZQWIBUXDNLSHL-SNVBAGLBSA-N 0 3 224.101 2.391 10 30 BEEEHN C=C[C@@](C)(CC)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000134973811 358813732 /nfs/dbraw/zinc/81/37/32/358813732.db2.gz CQDMHIDKYMMRLO-OCCSQVGLSA-N 0 3 238.375 2.189 10 30 BEEEHN C=CCN(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134143807 358782023 /nfs/dbraw/zinc/78/20/23/358782023.db2.gz XVIHOWVAGVMDGX-RISCZKNCSA-N 0 3 217.312 2.496 10 30 BEEEHN C#C[C@@H](N)c1ccc(C)cc1Br ZINC000130286987 359012525 /nfs/dbraw/zinc/01/25/25/359012525.db2.gz BFHRZELXSRRQAV-SNVBAGLBSA-N 0 3 224.101 2.391 10 30 BEEEHN N#Cc1cccc(OCCN2C[C@@H]3CCC[C@@H]32)c1 ZINC000435203767 201251724 /nfs/dbraw/zinc/25/17/24/201251724.db2.gz YXPPYCVEYGPXTF-ZFWWWQNUSA-N 0 3 242.322 2.421 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCSC1 ZINC000228563908 361668202 /nfs/dbraw/zinc/66/82/02/361668202.db2.gz GBIVZUAOVLKOFC-SRVKXCTJSA-N 0 3 224.373 2.411 10 30 BEEEHN CC[C@H]1CCCCCN1C(=O)C(C)C#N ZINC000134805646 364413823 /nfs/dbraw/zinc/41/38/23/364413823.db2.gz XBCMHUUXVRYLOD-MNOVXSKESA-N 0 3 208.305 2.327 10 30 BEEEHN CSCCCN[C@@H]1CCCC[C@H]1C#N ZINC000069001134 370872336 /nfs/dbraw/zinc/87/23/36/370872336.db2.gz RFHINRRYPGGINU-WDEREUQCSA-N 0 3 212.362 2.411 10 30 BEEEHN COCC[C@H](C)N[C@@H]1CCCC[C@@H]1C#N ZINC000081711780 370914886 /nfs/dbraw/zinc/91/48/86/370914886.db2.gz ZBOIJIVICOUBCT-QJPTWQEYSA-N 0 3 210.321 2.083 10 30 BEEEHN CCN1CCCO[C@@H](c2cccc(C#N)c2)C1 ZINC000616598533 369099248 /nfs/dbraw/zinc/09/92/48/369099248.db2.gz MUUPEFIMDQUUEV-CQSZACIVSA-N 0 3 230.311 2.342 10 30 BEEEHN CCN(C[C@H](C)C#N)C[C@H]1CCC[C@H](O)C1 ZINC000309721118 370249259 /nfs/dbraw/zinc/24/92/59/370249259.db2.gz BTXVLHHAZDSBRA-AGIUHOORSA-N 0 3 224.348 2.019 10 30 BEEEHN CNCC#Cc1sccc1Br ZINC000229455528 372155049 /nfs/dbraw/zinc/15/50/49/372155049.db2.gz SXAUXGBPEUQCSX-UHFFFAOYSA-N 0 3 230.130 2.082 10 30 BEEEHN CCN1CCC[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000040503284 373356545 /nfs/dbraw/zinc/35/65/45/373356545.db2.gz BINFNUIJKOXBDY-CQSZACIVSA-N 0 3 229.327 2.454 10 30 BEEEHN CCN[C@@H](C)c1sc(CC#N)nc1C ZINC000040994640 170143409 /nfs/dbraw/zinc/14/34/09/170143409.db2.gz BHGRENSBIKAFMG-ZETCQYMHSA-N 0 3 209.318 2.188 10 30 BEEEHN CCCN(C/C(N)=N/O)[C@@H]1CCCC[C@@H]1CC ZINC000104381480 169090018 /nfs/dbraw/zinc/09/00/18/169090018.db2.gz JWHJTPFJJJWRBE-NWDGAFQWSA-N 0 3 241.379 2.414 10 30 BEEEHN CCC[C@@H](C#N)N1CCN(C2CCCC2)CC1 ZINC000104073538 169342902 /nfs/dbraw/zinc/34/29/02/169342902.db2.gz BERJTPOVHCNVLC-AWEZNQCLSA-N 0 3 235.375 2.239 10 30 BEEEHN C[C@@H](NCc1ccc(F)c(C#N)c1)[C@H]1CCCO1 ZINC000136256671 384486582 /nfs/dbraw/zinc/48/65/82/384486582.db2.gz ATSNCYUKEMVCKA-QMTHXVAHSA-N 0 3 248.301 2.354 10 30 BEEEHN C=CCN[C@H](CO)c1ccc(Cl)cc1 ZINC000273082353 384771478 /nfs/dbraw/zinc/77/14/78/384771478.db2.gz HSTLZLMBNFXDQS-LLVKDONJSA-N 0 3 211.692 2.149 10 30 BEEEHN C=CC1(O)CCN(Cc2ccccc2)CC1 ZINC000145966857 385030216 /nfs/dbraw/zinc/03/02/16/385030216.db2.gz KBCISEBKFUOCHX-UHFFFAOYSA-N 0 3 217.312 2.200 10 30 BEEEHN CC(C)OC1CC(N[C@H]2CCC[C@@H]2C#N)C1 ZINC000309589065 385718761 /nfs/dbraw/zinc/71/87/61/385718761.db2.gz UBNRFNGYHGRJLY-XVSSEFHLSA-N 0 3 222.332 2.224 10 30 BEEEHN C=C(Br)CN[C@@]1(C)C[C@@H]1C ZINC000575575193 386992658 /nfs/dbraw/zinc/99/26/58/386992658.db2.gz DSCMWGXXWBGVGR-XPUUQOCRSA-N 0 3 204.111 2.283 10 30 BEEEHN CC#CCCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188140324 387255398 /nfs/dbraw/zinc/25/53/98/387255398.db2.gz ONBQLUYCEYWEHH-KBPBESRZSA-N 0 3 249.379 2.169 10 30 BEEEHN C[C@@H](N)C#Cc1ccc(Br)cc1 ZINC000575492444 387278679 /nfs/dbraw/zinc/27/86/79/387278679.db2.gz AKZHDGCEVPTWGV-MRVPVSSYSA-N 0 3 224.101 2.148 10 30 BEEEHN C[C@@H](NCc1cc(C#N)cs1)[C@H]1CCCO1 ZINC000086500183 388367780 /nfs/dbraw/zinc/36/77/80/388367780.db2.gz ZVGGUYGSNWJKLH-BXKDBHETSA-N 0 3 236.340 2.277 10 30 BEEEHN CCN(Cc1cnc2ccc(C#N)cn12)C(C)C ZINC000126359881 388824960 /nfs/dbraw/zinc/82/49/60/388824960.db2.gz LPXLGXCPQNXFJZ-UHFFFAOYSA-N 0 3 242.326 2.436 10 30 BEEEHN CCNCC#Cc1cccc(Br)c1 ZINC000575493475 388947906 /nfs/dbraw/zinc/94/79/06/388947906.db2.gz OCYOTJGBGWUUJH-UHFFFAOYSA-N 0 3 238.128 2.410 10 30 BEEEHN C=CCOc1ccccc1CNCCCCO ZINC000006313051 134844678 /nfs/dbraw/zinc/84/46/78/134844678.db2.gz DJBIURQZZVYRTA-UHFFFAOYSA-N 0 3 235.327 2.114 10 30 BEEEHN C[C@@H]1CN2CCCC[C@H]2CN1CCCCC#N ZINC000252661854 135094636 /nfs/dbraw/zinc/09/46/36/135094636.db2.gz QIZUOCUILZZCJJ-KGLIPLIRSA-N 0 3 235.375 2.239 10 30 BEEEHN C[C@@H]1CN(CCCC(C)(C)C#N)C[C@@H](C)O1 ZINC000087608397 135158684 /nfs/dbraw/zinc/15/86/84/135158684.db2.gz WQVBHQQSWIOVNO-VXGBXAGGSA-N 0 3 224.348 2.426 10 30 BEEEHN C#CCN(Cc1ccc(F)cc1)CC(C)(C)O ZINC000120865284 135220280 /nfs/dbraw/zinc/22/02/80/135220280.db2.gz VSHQRGSPLJUKNW-UHFFFAOYSA-N 0 3 235.302 2.032 10 30 BEEEHN C[C@H](CCC#N)N[C@@H](CO)c1ccccc1 ZINC000278503684 135368466 /nfs/dbraw/zinc/36/84/66/135368466.db2.gz AOUUVHXEIJRAIQ-YPMHNXCESA-N 0 3 218.300 2.002 10 30 BEEEHN COCC#CCN[C@H](C)c1cccc(C)c1 ZINC000650336134 398118413 /nfs/dbraw/zinc/11/84/13/398118413.db2.gz XIDCQNGUZLKIBG-CYBMUJFWSA-N 0 3 217.312 2.295 10 30 BEEEHN CNCC#Cc1cccc(Br)c1F ZINC000234361977 398133473 /nfs/dbraw/zinc/13/34/73/398133473.db2.gz TUIHFVKHQHEURN-UHFFFAOYSA-N 0 3 242.091 2.159 10 30 BEEEHN C#CCNC[C@@H](C)Oc1ccccc1CC=C ZINC000053588972 166187208 /nfs/dbraw/zinc/18/72/08/166187208.db2.gz RHQCGULBNKLQMJ-CYBMUJFWSA-N 0 3 229.323 2.405 10 30 BEEEHN C#CC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2C ZINC000019875635 166190914 /nfs/dbraw/zinc/19/09/14/166190914.db2.gz GUJSMWVMZHZCQM-GHMZBOCLSA-N 0 3 215.296 2.472 10 30 BEEEHN C=CCN(C(=O)[C@H](N)CCCC)C1CCCC1 ZINC000037817695 166310753 /nfs/dbraw/zinc/31/07/53/166310753.db2.gz IKSCGNUJFADONN-CYBMUJFWSA-N 0 3 238.375 2.461 10 30 BEEEHN C=CCN(CC=C)CCc1ccc(N)cc1 ZINC000020071300 166335193 /nfs/dbraw/zinc/33/51/93/166335193.db2.gz UHQOVIVMFZTOHC-UHFFFAOYSA-N 0 3 216.328 2.485 10 30 BEEEHN C=CCN(CC=C)c1ccc(CNCCC)nn1 ZINC000051398986 166336524 /nfs/dbraw/zinc/33/65/24/166336524.db2.gz SKMQRUVKACQLMQ-UHFFFAOYSA-N 0 3 246.358 2.155 10 30 BEEEHN C=CCNCCC(=O)c1ccc(F)c(F)c1 ZINC000049819912 166399249 /nfs/dbraw/zinc/39/92/49/166399249.db2.gz QMZXRPUHPUHTMJ-UHFFFAOYSA-N 0 3 225.238 2.313 10 30 BEEEHN C#CCCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000070197450 411164569 /nfs/dbraw/zinc/16/45/69/411164569.db2.gz UGZRIRSWTAPPCX-LLVKDONJSA-N 0 3 231.295 2.132 10 30 BEEEHN CC1CCC(CO)(N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000054829918 168156796 /nfs/dbraw/zinc/15/67/96/168156796.db2.gz GAIANRRMLGEFCQ-CEUNDQEZSA-N 0 3 236.359 2.209 10 30 BEEEHN CCC(C)(C)NCc1cccnc1C#N ZINC000061656788 168298808 /nfs/dbraw/zinc/29/88/08/168298808.db2.gz VOUBOSNXLVKZRA-UHFFFAOYSA-N 0 3 203.289 2.231 10 30 BEEEHN CCN[C@H](C)c1sc(CC#N)nc1C ZINC000040994643 170160709 /nfs/dbraw/zinc/16/07/09/170160709.db2.gz BHGRENSBIKAFMG-SSDOTTSWSA-N 0 3 209.318 2.188 10 30 BEEEHN CCN[C@H]1CCCc2nc(CC#N)sc21 ZINC000050330139 170166674 /nfs/dbraw/zinc/16/66/74/170166674.db2.gz KKWVFCKBZOUQPX-QMMMGPOBSA-N 0 3 221.329 2.196 10 30 BEEEHN CC[C@@H]1CC[C@H](C#N)[C@H](N(C)CCN(C)C)C1 ZINC000104202038 171045299 /nfs/dbraw/zinc/04/52/99/171045299.db2.gz YUFJAFMVLNWGFF-MGPQQGTHSA-N 0 3 237.391 2.198 10 30 BEEEHN CC[C@H](C)N1CCN([C@@H](CC)CC#N)CC1 ZINC000055066400 171319541 /nfs/dbraw/zinc/31/95/41/171319541.db2.gz YSXLTMCFTMJPFA-STQMWFEESA-N 0 3 223.364 2.095 10 30 BEEEHN CC[C@H](C)OCc1cc(C#CCN)ccc1OC ZINC000049611104 171355137 /nfs/dbraw/zinc/35/51/37/171355137.db2.gz RGRHMIZZFSBCBO-LBPRGKRZSA-N 0 3 247.338 2.321 10 30 BEEEHN CC[C@H](C)[C@H](N)C(=O)Nc1cc(C#N)ccc1C ZINC000050430426 171396473 /nfs/dbraw/zinc/39/64/73/171396473.db2.gz QPFHGEYXTNQHEP-ZANVPECISA-N 0 3 245.326 2.179 10 30 BEEEHN CCn1cc(C2CCN(CCCC#N)CC2)cn1 ZINC000195499751 172158601 /nfs/dbraw/zinc/15/86/01/172158601.db2.gz URNZGTFFZCRWCJ-UHFFFAOYSA-N 0 3 246.358 2.386 10 30 BEEEHN CN1CCC[C@@H](c2ccccc2C#N)C1 ZINC000075906578 173023576 /nfs/dbraw/zinc/02/35/76/173023576.db2.gz ABLLEDDJDSKRLM-GFCCVEGCSA-N 0 3 200.285 2.367 10 30 BEEEHN COc1ccc(C#CCN)c2ccccc12 ZINC000037471039 175051230 /nfs/dbraw/zinc/05/12/30/175051230.db2.gz DFKYFDDAYIUIJP-UHFFFAOYSA-N 0 3 211.264 2.159 10 30 BEEEHN C[C@@H]1CN=C(NCc2ccccc2F)S1 ZINC000035294994 176322629 /nfs/dbraw/zinc/32/26/29/176322629.db2.gz WRQHEBKHOSHASZ-MRVPVSSYSA-N 0 3 224.304 2.407 10 30 BEEEHN C[C@H](CC#N)N(C)[C@@H](CN)c1ccccc1F ZINC000063085454 176596322 /nfs/dbraw/zinc/59/63/22/176596322.db2.gz FYHYTVRTAAHPKI-MFKMUULPSA-N 0 3 235.306 2.059 10 30 BEEEHN C[C@H](S)[C@@H]1NCCc2cc(F)ccc21 ZINC000083730148 177025996 /nfs/dbraw/zinc/02/59/96/177025996.db2.gz VFEKTNILLSXDIX-CPCISQLKSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@H](S)[C@H]1NCCc2cc(F)ccc21 ZINC000083730146 177026308 /nfs/dbraw/zinc/02/63/08/177026308.db2.gz VFEKTNILLSXDIX-WRWORJQWSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@H]1CN=C(NCc2cccs2)S1 ZINC000035295324 177278917 /nfs/dbraw/zinc/27/89/17/177278917.db2.gz YYDJMSLCDTUPKW-ZETCQYMHSA-N 0 3 212.343 2.329 10 30 BEEEHN C=CCNC(=O)[C@H](C)N[C@H](C)c1cccc(C)c1 ZINC000160235896 323064408 /nfs/dbraw/zinc/06/44/08/323064408.db2.gz OUGZOGRMRQABKF-OLZOCXBDSA-N 0 3 246.354 2.336 10 30 BEEEHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccc(C)c1 ZINC000160236035 323064422 /nfs/dbraw/zinc/06/44/22/323064422.db2.gz OUGZOGRMRQABKF-CHWSQXEVSA-N 0 3 246.354 2.336 10 30 BEEEHN C[C@@H]1CCCCN1Cc1cc(C#CCO)cs1 ZINC000043689785 582805758 /nfs/dbraw/zinc/80/57/58/582805758.db2.gz NARSRYHNSAFWMP-GFCCVEGCSA-N 0 3 249.379 2.466 10 30 BEEEHN C=CCCCN(C)CC(=O)N[C@H](C)C(C)C ZINC000121084621 534707163 /nfs/dbraw/zinc/70/71/63/534707163.db2.gz SHSVZKYWFMUSMH-GFCCVEGCSA-N 0 3 226.364 2.045 10 30 BEEEHN C=CCCCN(C)CC(=O)NCCC(C)(C)C ZINC000121091679 534707498 /nfs/dbraw/zinc/70/74/98/534707498.db2.gz FXCXMDWEMCFMLD-UHFFFAOYSA-N 0 3 240.391 2.437 10 30 BEEEHN COC1CCC(N[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000164258036 536740485 /nfs/dbraw/zinc/74/04/85/536740485.db2.gz DNZXOTKNKSLQTP-IKWCTNDRSA-N 0 3 222.332 2.226 10 30 BEEEHN CCN(CC)CC#C[C@@H](C)OC(=O)C=C1CCC1 ZINC000121344502 585068335 /nfs/dbraw/zinc/06/83/35/585068335.db2.gz BBDYHODZKSMMFX-CYBMUJFWSA-N 0 3 249.354 2.374 10 30 BEEEHN CCCCOCC(=O)C(C#N)c1ccccn1 ZINC000118599179 589179936 /nfs/dbraw/zinc/17/99/36/589179936.db2.gz JRXBHOTUVJMMTF-NSHDSACASA-N 0 3 232.283 2.075 10 30 BEEEHN C#CCN(C)[C@@H]1C[C@H](OCC)C12CCCC2 ZINC000121212059 589517553 /nfs/dbraw/zinc/51/75/53/589517553.db2.gz LGNARJBLENGEFE-OLZOCXBDSA-N 0 3 221.344 2.289 10 30 BEEEHN C#CCCNCc1cn2cc(Cl)ccc2n1 ZINC000167724254 636265379 /nfs/dbraw/zinc/26/53/79/636265379.db2.gz HDVFAWOGFVRPPZ-UHFFFAOYSA-N 0 3 233.702 2.101 10 30 BEEEHN C#CCCNCc1nn(CC)c2ccccc12 ZINC000089174444 636904296 /nfs/dbraw/zinc/90/42/96/636904296.db2.gz VNCJJUDWTCKNBO-UHFFFAOYSA-N 0 3 227.311 2.169 10 30 BEEEHN C#CCCNCc1cc2c(cc1OC)C[C@@H](C)O2 ZINC000096578218 644821881 /nfs/dbraw/zinc/82/18/81/644821881.db2.gz KLXQABRYQKZLTH-LLVKDONJSA-N 0 3 245.322 2.132 10 30 BEEEHN C#CCCNCc1cc2c(cc1OC)C[C@H](C)O2 ZINC000096578219 644822581 /nfs/dbraw/zinc/82/25/81/644822581.db2.gz KLXQABRYQKZLTH-NSHDSACASA-N 0 3 245.322 2.132 10 30 BEEEHN Cc1ccc([C@@H](C)NCCO[C@H](C)C#N)o1 ZINC000304277014 644884559 /nfs/dbraw/zinc/88/45/59/644884559.db2.gz WQFLCVMBAIEOET-GHMZBOCLSA-N 0 3 222.288 2.167 10 30 BEEEHN CS[C@@H](C)CNCC#Cc1ccccc1 ZINC000122041576 711604054 /nfs/dbraw/zinc/60/40/54/711604054.db2.gz OEOYPNAORGGDRQ-LBPRGKRZSA-N 0 3 219.353 2.379 10 30 BEEEHN C[C@@H](NCCCCC(C)(C)C#N)c1cn(C)nn1 ZINC000720550994 712850108 /nfs/dbraw/zinc/85/01/08/712850108.db2.gz ADFVGXRNEZMHEM-LLVKDONJSA-N 0 3 249.362 2.186 10 30 BEEEHN C[C@@H]1COCC[C@@H]1N[C@H]1CCCC[C@@H]1C#N ZINC000300944189 349460368 /nfs/dbraw/zinc/46/03/68/349460368.db2.gz DVFHMRDZNWFPRH-NDBYEHHHSA-N 0 3 222.332 2.083 10 30 BEEEHN Cc1cc(NC(=O)CC2CC2)ccc1C#CCN ZINC000049731602 178126892 /nfs/dbraw/zinc/12/68/92/178126892.db2.gz DTFCNYYRAMVHMN-UHFFFAOYSA-N 0 3 242.322 2.044 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@H]1C#N)[C@@H]1CCCO1 ZINC000251551492 398298051 /nfs/dbraw/zinc/29/80/51/398298051.db2.gz LQBOHJZSPYTTJS-RVMXOQNASA-N 0 3 222.332 2.226 10 30 BEEEHN CCN1CCC[C@H](Nc2cc(C)nc(C#N)c2)C1 ZINC000308275759 346906656 /nfs/dbraw/zinc/90/66/56/346906656.db2.gz MPZGEZCZWVKBIJ-LBPRGKRZSA-N 0 3 244.342 2.158 10 30 BEEEHN C=C(C)CN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000171503555 187227108 /nfs/dbraw/zinc/22/71/08/187227108.db2.gz SJVLEYCKJZDZPF-GFCCVEGCSA-N 0 3 235.331 2.209 10 30 BEEEHN ON=C1CCN(Cc2cccs2)CC1 ZINC000019484047 187252832 /nfs/dbraw/zinc/25/28/32/187252832.db2.gz IVDIBVCBAJPZKW-UHFFFAOYSA-N 0 3 210.302 2.174 10 30 BEEEHN CC(C)C[C@@H](N)C(=O)Nc1cccc(F)c1C#N ZINC000036158352 187259358 /nfs/dbraw/zinc/25/93/58/187259358.db2.gz QHZQFXIEDCZSLQ-LLVKDONJSA-N 0 3 249.289 2.009 10 30 BEEEHN CC(C)N(CCC#N)[C@@H](CN)c1ccccc1F ZINC000043045632 187267414 /nfs/dbraw/zinc/26/74/14/187267414.db2.gz SJKSVGHCEGCVFV-AWEZNQCLSA-N 0 3 249.333 2.450 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1NCCC[C@H]1CCOC1 ZINC000402139226 349867647 /nfs/dbraw/zinc/86/76/47/349867647.db2.gz JMOJWAPKSXDRBR-AVGNSLFASA-N 0 3 222.332 2.085 10 30 BEEEHN CC[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C#N)CCO1 ZINC000251645888 344122110 /nfs/dbraw/zinc/12/21/10/344122110.db2.gz NBUSJKBFWLUPOP-UMSGYPCISA-N 0 3 222.332 2.226 10 30 BEEEHN CC[C@H]1CCN(Cc2ccnc(C#N)c2)C1 ZINC000135410696 344266233 /nfs/dbraw/zinc/26/62/33/344266233.db2.gz IOCGRSCTTAPZEF-NSHDSACASA-N 0 3 215.300 2.185 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)[C@@H]1CCCO1 ZINC000054825177 344457166 /nfs/dbraw/zinc/45/71/66/344457166.db2.gz LQBOHJZSPYTTJS-LOWDOPEQSA-N 0 3 222.332 2.226 10 30 BEEEHN C[C@@H]1C[C@@H](C)N(Cc2ccnc(C#N)c2)C1 ZINC000135512397 344506074 /nfs/dbraw/zinc/50/60/74/344506074.db2.gz IAQNWSMQZIGGCA-GHMZBOCLSA-N 0 3 215.300 2.184 10 30 BEEEHN CCOCCCN[C@@H]1CCCC[C@H]1C#N ZINC000054824275 344457845 /nfs/dbraw/zinc/45/78/45/344457845.db2.gz IBONAVDRNALSGN-NWDGAFQWSA-N 0 3 210.321 2.085 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NCCc1ccncc1 ZINC000054825563 344471659 /nfs/dbraw/zinc/47/16/59/344471659.db2.gz OWQGWGOGACJMAW-UONOGXRCSA-N 0 3 229.327 2.296 10 30 BEEEHN N#Cc1ccc(CN[C@H]2CCC[C@@H](O)C2)s1 ZINC000135497531 344488576 /nfs/dbraw/zinc/48/85/76/344488576.db2.gz KBSRQOYOLBYTKJ-VHSXEESVSA-N 0 3 236.340 2.013 10 30 BEEEHN C=C(Br)CN[C@H]1CCS[C@@H]1C ZINC000220694200 344568671 /nfs/dbraw/zinc/56/86/71/344568671.db2.gz JHUPTHAMOLLNNW-SFYZADRCSA-N 0 3 236.178 2.379 10 30 BEEEHN CC#CCOc1ccc(C)cc1CNCCOC ZINC000071407481 187359505 /nfs/dbraw/zinc/35/95/05/187359505.db2.gz QNRGBSSNSNQWHL-UHFFFAOYSA-N 0 3 247.338 2.133 10 30 BEEEHN CO[C@@H]1CCC[C@H](N[C@H]2CCC[C@@H]2C#N)C1 ZINC000300214670 345338700 /nfs/dbraw/zinc/33/87/00/345338700.db2.gz ULAFTRGBZIMZMX-XQHKEYJVSA-N 0 3 222.332 2.226 10 30 BEEEHN COc1cc(CC#N)ccc1CN1CCCC1 ZINC000140725301 345856599 /nfs/dbraw/zinc/85/65/99/345856599.db2.gz BXMXHFLFXRHPKK-UHFFFAOYSA-N 0 3 230.311 2.357 10 30 BEEEHN C[C@H](N)C#Cc1sccc1Br ZINC000167006310 346179038 /nfs/dbraw/zinc/17/90/38/346179038.db2.gz JBBLMAGYWULDHU-LURJTMIESA-N 0 3 230.130 2.209 10 30 BEEEHN Cc1cccc(C2(C#N)CCNCC2)c1 ZINC000071508052 179051129 /nfs/dbraw/zinc/05/11/29/179051129.db2.gz VNBLTNNBFFOTJR-UHFFFAOYSA-N 0 3 200.285 2.140 10 30 BEEEHN Cc1cccc(CN(CC/C(N)=N/O)C2CC2)c1 ZINC000042531533 179070888 /nfs/dbraw/zinc/07/08/88/179070888.db2.gz VFJDQAIJTCMBRM-UHFFFAOYSA-N 0 3 247.342 2.096 10 30 BEEEHN N/C(=N/O)[C@@H]1CCCCN1CC1CCCCC1 ZINC000203551806 346637110 /nfs/dbraw/zinc/63/71/10/346637110.db2.gz COONNGOHJADQGL-LBPRGKRZSA-N 0 3 239.363 2.168 10 30 BEEEHN C[NH+](C)CCOc1ccc2c(c1)CCC/C2=N\[O-] ZINC000169228313 346756776 /nfs/dbraw/zinc/75/67/76/346756776.db2.gz CWTJHYMRHZAFLR-CCEZHUSRSA-N 0 3 248.326 2.142 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[C@H](O)C1 ZINC000300698664 347378471 /nfs/dbraw/zinc/37/84/71/347378471.db2.gz LNOPFKHBCDIRHN-RFGFWPKPSA-N 0 3 236.359 2.209 10 30 BEEEHN CC(C)(C)OCCCN[C@H]1CCC[C@@H]1C#N ZINC000590959119 347594830 /nfs/dbraw/zinc/59/48/30/347594830.db2.gz GELJPAXXQFVXEG-NEPJUHHUSA-N 0 3 224.348 2.473 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@H]1C#N)[C@H]1CCOC1 ZINC000253071234 347932604 /nfs/dbraw/zinc/93/26/04/347932604.db2.gz NAIQZMJLGPNMQP-ZDEQEGDKSA-N 0 3 222.332 2.083 10 30 BEEEHN CC(C)N1CCOC[C@@H](c2ccccc2C#N)C1 ZINC000616597519 350654284 /nfs/dbraw/zinc/65/42/84/350654284.db2.gz KGUYISZWKAEZAM-AWEZNQCLSA-N 0 3 244.338 2.382 10 30 BEEEHN C=CCC[C@H](N)c1ccc(S(C)(=O)=O)cc1 ZINC000129052122 350975798 /nfs/dbraw/zinc/97/57/98/350975798.db2.gz LUMGMYOYMPXLNP-LBPRGKRZSA-N 0 3 239.340 2.056 10 30 BEEEHN C[C@@H]1CSC[C@@H]1N[C@H]1CCCC[C@H]1C#N ZINC000397974582 350995862 /nfs/dbraw/zinc/99/58/62/350995862.db2.gz OHIBDLQJRGQWAR-RHYQMDGZSA-N 0 3 224.373 2.410 10 30 BEEEHN C=CCNc1cc(N)ncc1Br ZINC000306819159 351085126 /nfs/dbraw/zinc/08/51/26/351085126.db2.gz CJGJDJBFVHSJMQ-UHFFFAOYSA-N 0 3 228.093 2.024 10 30 BEEEHN N#Cc1ccccc1[C@H]1CCCN(CCO)CC1 ZINC000616629000 351099208 /nfs/dbraw/zinc/09/92/08/351099208.db2.gz SAWAKCSYQBFWBL-ZDUSSCGKSA-N 0 3 244.338 2.120 10 30 BEEEHN N#Cc1ccccc1[C@@H]1CCCCN(CCO)C1 ZINC000616654829 351191288 /nfs/dbraw/zinc/19/12/88/351191288.db2.gz NXBTWOTUCYZBGB-CQSZACIVSA-N 0 3 244.338 2.120 10 30 BEEEHN CC(C#N)S(=O)(=O)c1cccc(Cl)c1 ZINC000054185730 351919468 /nfs/dbraw/zinc/91/94/68/351919468.db2.gz AZNPVBFAQSYDRI-ZETCQYMHSA-N 0 3 229.688 2.026 10 30 BEEEHN C=CCNCc1c(C)nc2sc(C)cn21 ZINC000036820434 187586946 /nfs/dbraw/zinc/58/69/46/187586946.db2.gz AKIYKYGBQHAZTC-UHFFFAOYSA-N 0 3 221.329 2.288 10 30 BEEEHN C#CC[C@H](N)c1ccccc1Br ZINC000051075161 353173475 /nfs/dbraw/zinc/17/34/75/353173475.db2.gz AMCKVTPHURCSRN-JTQLQIEISA-N 0 3 224.101 2.472 10 30 BEEEHN CC(C)N(C)[C@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000019846866 188281328 /nfs/dbraw/zinc/28/13/28/188281328.db2.gz JANDXRXRAHOOLT-LLVKDONJSA-N 0 3 245.326 2.225 10 30 BEEEHN CC(C)N(C)[C@@H](C)C(=O)Nc1ccc(C#N)cc1 ZINC000019846865 188281415 /nfs/dbraw/zinc/28/14/15/188281415.db2.gz JANDXRXRAHOOLT-NSHDSACASA-N 0 3 245.326 2.225 10 30 BEEEHN CSc1ccc([C@@H](C#N)NCCN(C)C)cc1 ZINC000037940659 188289344 /nfs/dbraw/zinc/28/93/44/188289344.db2.gz JMLHEVRVOGVUND-CYBMUJFWSA-N 0 3 249.383 2.124 10 30 BEEEHN Cn1ccnc1CCN[C@H]1CCCCC[C@@H]1C#N ZINC000054828406 188300609 /nfs/dbraw/zinc/30/06/09/188300609.db2.gz BGHFQWMGCHXFTA-OLZOCXBDSA-N 0 3 246.358 2.025 10 30 BEEEHN COCC1(CN[C@@H]2CCCC[C@@H]2C#N)CCC1 ZINC000383478590 353333801 /nfs/dbraw/zinc/33/38/01/353333801.db2.gz AHIZVOKQSIBWLD-CHWSQXEVSA-N 0 3 236.359 2.475 10 30 BEEEHN C=C(Br)COc1ccccc1CN ZINC000037698939 188325709 /nfs/dbraw/zinc/32/57/09/188325709.db2.gz SGQPOAATRBMGCK-UHFFFAOYSA-N 0 3 242.116 2.433 10 30 BEEEHN C=CCN(C(=O)C1(N)CCCCC1)C(C)C ZINC000037817737 188326452 /nfs/dbraw/zinc/32/64/52/188326452.db2.gz LTYRNDIXFDLSAU-UHFFFAOYSA-N 0 3 224.348 2.071 10 30 BEEEHN CC(C)C[C@@H](CN(C)C)N[C@@H]1CCC[C@@H]1C#N ZINC000054827119 188354975 /nfs/dbraw/zinc/35/49/75/188354975.db2.gz KHEINISDYGRLNC-HZSPNIEDSA-N 0 3 237.391 2.245 10 30 BEEEHN Fc1cccc2c1[C@H](CCS)NCC2 ZINC000083730189 181007400 /nfs/dbraw/zinc/00/74/00/181007400.db2.gz JWSVQULDQCHDAT-JTQLQIEISA-N 0 3 211.305 2.332 10 30 BEEEHN N#CCCN([C@@H](CN)c1ccccc1)C1CC1 ZINC000042899492 181037066 /nfs/dbraw/zinc/03/70/66/181037066.db2.gz ZAVYWCQYTKIMEB-AWEZNQCLSA-N 0 3 229.327 2.064 10 30 BEEEHN N#CCc1ccc(N[C@@H]2CCN(C3CC3)C2)cc1 ZINC000061981814 181048470 /nfs/dbraw/zinc/04/84/70/181048470.db2.gz OEFGYWGHFSYQGR-CQSZACIVSA-N 0 3 241.338 2.401 10 30 BEEEHN N#C[C@@H]1CCCCC[C@@H]1NC1(CO)CCCC1 ZINC000054829851 181058768 /nfs/dbraw/zinc/05/87/68/181058768.db2.gz RRLCEWRXMDBXEC-STQMWFEESA-N 0 3 236.359 2.354 10 30 BEEEHN N#Cc1cc(N)ccc1NCCN1CCCCC1 ZINC000049574739 181088988 /nfs/dbraw/zinc/08/89/88/181088988.db2.gz SVEUKURYTXYPNZ-UHFFFAOYSA-N 0 3 244.342 2.038 10 30 BEEEHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2O)s1 ZINC000135500540 181110222 /nfs/dbraw/zinc/11/02/22/181110222.db2.gz QLINTDYOOZURDF-NWDGAFQWSA-N 0 3 236.340 2.013 10 30 BEEEHN N#Cc1ccc(N[C@H]2CCN3CCC[C@H]23)c(F)c1 ZINC000049569075 181126470 /nfs/dbraw/zinc/12/64/70/181126470.db2.gz HUVQIUXSVMUCFS-UONOGXRCSA-N 0 3 245.301 2.346 10 30 BEEEHN N#Cc1ccccc1CN1CCCC[C@H](CO)C1 ZINC000377952821 181145202 /nfs/dbraw/zinc/14/52/02/181145202.db2.gz OYIHFFAGHZDJIC-ZDUSSCGKSA-N 0 3 244.338 2.153 10 30 BEEEHN C=CCNC(=O)[C@H](C)N[C@H](C)c1cccs1 ZINC000035139661 134161525 /nfs/dbraw/zinc/16/15/25/134161525.db2.gz GCKPNSKLOOFPJO-ZJUUUORDSA-N 0 3 238.356 2.089 10 30 BEEEHN C/N=C1\CCN2CCc3ccccc3[C@H]2C1 ZINC000584605274 358264585 /nfs/dbraw/zinc/26/45/85/358264585.db2.gz ICTYEVZKPMCCKA-FQZGENGWSA-N 0 3 214.312 2.450 10 30 BEEEHN C=CC[C@H](N)c1ccccc1OCOC ZINC000584610695 358273888 /nfs/dbraw/zinc/27/38/88/358273888.db2.gz NMUPGBPJZJFALA-NSHDSACASA-N 0 3 207.273 2.245 10 30 BEEEHN C#CC(C)(C)N(CC)CCO[C@H]1CCCCO1 ZINC000584631243 358282833 /nfs/dbraw/zinc/28/28/33/358282833.db2.gz HNOBOCKLZGMFGH-ZDUSSCGKSA-N 0 3 239.359 2.263 10 30 BEEEHN C=CCN(C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000134144002 358782006 /nfs/dbraw/zinc/78/20/06/358782006.db2.gz XVIHOWVAGVMDGX-SMDDNHRTSA-N 0 3 217.312 2.496 10 30 BEEEHN CSCC[C@@H](N)C#Cc1ccccc1 ZINC000306162541 358972315 /nfs/dbraw/zinc/97/23/15/358972315.db2.gz GYNWXKBSCDZYOV-LBPRGKRZSA-N 0 3 205.326 2.119 10 30 BEEEHN CSCC[C@H](N)C#Cc1ccccc1 ZINC000306162540 358972831 /nfs/dbraw/zinc/97/28/31/358972831.db2.gz GYNWXKBSCDZYOV-GFCCVEGCSA-N 0 3 205.326 2.119 10 30 BEEEHN C#C[C@H](N)c1cc(C)ccc1Br ZINC000130328402 359522049 /nfs/dbraw/zinc/52/20/49/359522049.db2.gz ULMWCWTYQSUEBJ-JTQLQIEISA-N 0 3 224.101 2.391 10 30 BEEEHN CC#CCN[C@H]1CCC[C@@H]1C(F)(F)F ZINC000306561652 360438974 /nfs/dbraw/zinc/43/89/74/360438974.db2.gz NIRVRHPQSLIAMB-IUCAKERBSA-N 0 3 205.223 2.330 10 30 BEEEHN COCC1(CN[C@H]2CCC[C@@H]2C#N)CCC1 ZINC000336659259 361325397 /nfs/dbraw/zinc/32/53/97/361325397.db2.gz IZBYUXNWIGCQSG-NEPJUHHUSA-N 0 3 222.332 2.085 10 30 BEEEHN NCC#Cc1ccccc1COCC(F)(F)F ZINC000049610351 181346560 /nfs/dbraw/zinc/34/65/60/181346560.db2.gz VPYAPCYLWDMXON-UHFFFAOYSA-N 0 3 243.228 2.076 10 30 BEEEHN C#CCOc1c(CNCCC)cccc1OC ZINC000037709645 363895734 /nfs/dbraw/zinc/89/57/34/363895734.db2.gz SCVPVTKQVYRUEV-UHFFFAOYSA-N 0 3 233.311 2.207 10 30 BEEEHN NCCON=C(c1ccccc1)c1ccccc1 ZINC000039151156 368407946 /nfs/dbraw/zinc/40/79/46/368407946.db2.gz KJZUJTIVXVFQBY-UHFFFAOYSA-N 0 3 240.306 2.414 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1N[C@@H]1CCCOCC1 ZINC000309534740 370224696 /nfs/dbraw/zinc/22/46/96/370224696.db2.gz DWISNOANPZSJDN-YNEHKIRRSA-N 0 3 222.332 2.227 10 30 BEEEHN CCCN(C)Cc1ccc(F)cc1C#CCCO ZINC000049617741 169081200 /nfs/dbraw/zinc/08/12/00/169081200.db2.gz VUYNECKYQWVCJV-UHFFFAOYSA-N 0 3 249.329 2.401 10 30 BEEEHN O=CC[C@@H]1CCN(Cc2ccccc2)C1 ZINC000107145291 384951550 /nfs/dbraw/zinc/95/15/50/384951550.db2.gz FLBZZWJMNUTZIP-ZDUSSCGKSA-N 0 3 203.285 2.098 10 30 BEEEHN N#C[C@@H]1CCC[C@@H](NC2CC(F)(F)C2)C1 ZINC000308852261 385217169 /nfs/dbraw/zinc/21/71/69/385217169.db2.gz DRNITKJJEAUMFP-RKDXNWHRSA-N 0 3 214.259 2.456 10 30 BEEEHN Cc1ccc(C=NCCc2c[nH]cn2)cc1 ZINC000238553586 385257438 /nfs/dbraw/zinc/25/74/38/385257438.db2.gz SBVILGFEYDKQRJ-RIYZIHGNSA-N 0 3 213.284 2.380 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1NC[C@H]1CCSC1 ZINC000300234934 385302681 /nfs/dbraw/zinc/30/26/81/385302681.db2.gz YCLPGHRMNNPPHF-VWYCJHECSA-N 0 3 210.346 2.021 10 30 BEEEHN C[C@@H]1C[C@H](CN[C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000309448417 385588615 /nfs/dbraw/zinc/58/86/15/385588615.db2.gz LXAYDMDGRQWWNJ-FDYHWXHSSA-N 0 3 222.332 2.083 10 30 BEEEHN C=CCCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000102222041 385905741 /nfs/dbraw/zinc/90/57/41/385905741.db2.gz UFEVJFYACVIHQN-CQSZACIVSA-N 0 3 246.354 2.372 10 30 BEEEHN C=C(C)CNCc1cc(OC)c2c(c1)OCCO2 ZINC000122574653 386512974 /nfs/dbraw/zinc/51/29/74/386512974.db2.gz RZEFSRNOLUKQHO-UHFFFAOYSA-N 0 3 249.310 2.132 10 30 BEEEHN C[C@@H](NCC#Cc1ccccc1)[C@@H]1CCCO1 ZINC000051814133 386870751 /nfs/dbraw/zinc/87/07/51/386870751.db2.gz FZBSFMUWOQDZIO-HIFRSBDPSA-N 0 3 229.323 2.195 10 30 BEEEHN C#C[C@@H](N)c1cc(C)ccc1Br ZINC000130328160 387532112 /nfs/dbraw/zinc/53/21/12/387532112.db2.gz ULMWCWTYQSUEBJ-SNVBAGLBSA-N 0 3 224.101 2.391 10 30 BEEEHN Cc1cc(C)cc(CN(C)C[C@H](C)/C(N)=N/O)c1 ZINC000042458341 177898479 /nfs/dbraw/zinc/89/84/79/177898479.db2.gz DDDXTKUEMGAFDC-LBPRGKRZSA-N 0 3 249.358 2.118 10 30 BEEEHN C=C(C)CN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000245200000 387943140 /nfs/dbraw/zinc/94/31/40/387943140.db2.gz GPJYEGPIWXHKEN-AGIUHOORSA-N 0 3 237.343 2.369 10 30 BEEEHN CC#CC[C@@H](N)c1ncccc1Br ZINC000133188652 388380217 /nfs/dbraw/zinc/38/02/17/388380217.db2.gz DHQJEIFIFUQZKM-SECBINFHSA-N 0 3 239.116 2.257 10 30 BEEEHN CC#CC[C@H](N)c1ncccc1Br ZINC000133188470 388380333 /nfs/dbraw/zinc/38/03/33/388380333.db2.gz DHQJEIFIFUQZKM-VIFPVBQESA-N 0 3 239.116 2.257 10 30 BEEEHN C[C@@H]1C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000335161402 388827949 /nfs/dbraw/zinc/82/79/49/388827949.db2.gz DUKXIRMTAKYJJP-PRHODGIISA-N 0 3 204.248 2.195 10 30 BEEEHN C[C@H]1CN(c2ccc(C#N)cc2)C[C@H](C)N1C ZINC000135265555 132240094 /nfs/dbraw/zinc/24/00/94/132240094.db2.gz YVULRJRVLNGSKX-RYUDHWBXSA-N 0 3 229.327 2.087 10 30 BEEEHN C[C@H]1CSCCN(CC2(C#N)CCC2)C1 ZINC000336259314 134141638 /nfs/dbraw/zinc/14/16/38/134141638.db2.gz UWXCGOVVKJKASL-LLVKDONJSA-N 0 3 224.373 2.365 10 30 BEEEHN C#CCCN1CCC[C@@H](c2nccs2)C1 ZINC000371205557 134227862 /nfs/dbraw/zinc/22/78/62/134227862.db2.gz AGHKPIRICCWYBY-LLVKDONJSA-N 0 3 220.341 2.346 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1NCCC1CCOCC1 ZINC000309253960 134386812 /nfs/dbraw/zinc/38/68/12/134386812.db2.gz RMCHSAOHABKQEV-STQMWFEESA-N 0 3 222.332 2.085 10 30 BEEEHN C=CCN[C@@H]1c2ccccc2CC[C@H]1CO ZINC000309528025 134445215 /nfs/dbraw/zinc/44/52/15/134445215.db2.gz BGJBZIMVHYJZIL-JSGCOSHPSA-N 0 3 217.312 2.058 10 30 BEEEHN CC#CCCN1[C@H](C(=O)OC)C[C@@H]2CCCC[C@@H]21 ZINC000248398138 135005041 /nfs/dbraw/zinc/00/50/41/135005041.db2.gz SUCFPDAEIUGUTE-IHRRRGAJSA-N 0 3 249.354 2.206 10 30 BEEEHN CCCCCCN1CCCC[C@@H]1/C(N)=N/O ZINC000070662771 135007306 /nfs/dbraw/zinc/00/73/06/135007306.db2.gz LXVBMCMXVFSUKQ-LLVKDONJSA-N 0 3 227.352 2.168 10 30 BEEEHN CC(C)[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C#N)CCO1 ZINC000251380234 135071180 /nfs/dbraw/zinc/07/11/80/135071180.db2.gz ZBMNHGFFQXKJTL-CRWXNKLISA-N 0 3 236.359 2.472 10 30 BEEEHN CCN1CCC[C@H](NCc2cc(C#N)cs2)C1 ZINC000093492523 398003596 /nfs/dbraw/zinc/00/35/96/398003596.db2.gz IGKFIBMHGZUXKM-LBPRGKRZSA-N 0 3 249.383 2.194 10 30 BEEEHN C#CCN[C@@H](C)c1c(C)cc(C)nc1C ZINC000037184911 166191124 /nfs/dbraw/zinc/19/11/24/166191124.db2.gz BDDPYNGHASADON-NSHDSACASA-N 0 3 202.301 2.291 10 30 BEEEHN C#CC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2C ZINC000019875637 166192378 /nfs/dbraw/zinc/19/23/78/166192378.db2.gz GUJSMWVMZHZCQM-MNOVXSKESA-N 0 3 215.296 2.472 10 30 BEEEHN C#CCN[C@H](C)c1ccc2c(c1)OCCCO2 ZINC000019875612 166192453 /nfs/dbraw/zinc/19/24/53/166192453.db2.gz DMVCZUSFENZUJL-LLVKDONJSA-N 0 3 231.295 2.132 10 30 BEEEHN C#CCOc1cc(CNC(C)C)ccc1[N+](=O)[O-] ZINC000050517173 166197697 /nfs/dbraw/zinc/19/76/97/166197697.db2.gz OQGQAXXZHHISNC-UHFFFAOYSA-N 0 3 248.282 2.105 10 30 BEEEHN C=CCN(C(=O)[C@@H](N)[C@@H](C)CC)C1CCCC1 ZINC000037817665 166310481 /nfs/dbraw/zinc/31/04/81/166310481.db2.gz UWIWCFCYQZDFJT-AAEUAGOBSA-N 0 3 238.375 2.317 10 30 BEEEHN C=CCN(CC=C)Cc1cc(CNC)oc1C ZINC000052376711 166334280 /nfs/dbraw/zinc/33/42/80/166334280.db2.gz CPDTXAXRYOQJND-UHFFFAOYSA-N 0 3 234.343 2.481 10 30 BEEEHN CCN(CC)CCN[C@@]1(C#N)CCCC[C@@H]1C ZINC000037940929 169781426 /nfs/dbraw/zinc/78/14/26/169781426.db2.gz VKHWKFHJQDQIIS-UONOGXRCSA-N 0 3 237.391 2.390 10 30 BEEEHN CC(C)N[C@H](C#N)CCN1CC[C@@H](C)C[C@H]1C ZINC000062438848 167136295 /nfs/dbraw/zinc/13/62/95/167136295.db2.gz QJSSUQWBFNIFHG-MCIONIFRSA-N 0 3 237.391 2.387 10 30 BEEEHN CC(C)[C@@H](C)NCc1cccnc1C#N ZINC000061657275 167384045 /nfs/dbraw/zinc/38/40/45/167384045.db2.gz HIDRAXNZTBSJEQ-SNVBAGLBSA-N 0 3 203.289 2.087 10 30 BEEEHN CCNCc1cnn(-c2cccc(C#N)c2)c1C ZINC000042355881 170130012 /nfs/dbraw/zinc/13/00/12/170130012.db2.gz SOYNAPUQJSOYFH-UHFFFAOYSA-N 0 3 240.310 2.162 10 30 BEEEHN CC[C@@H]1CO[C@@H](C)CN1CC(C=O)(CC)CC ZINC000051179446 171109372 /nfs/dbraw/zinc/10/93/72/171109372.db2.gz HCEFHCRVOBLJJF-QWHCGFSZSA-N 0 3 241.375 2.491 10 30 BEEEHN CC[C@H](C)OCc1ccc(C#CCN)cc1F ZINC000049611110 171355612 /nfs/dbraw/zinc/35/56/12/171355612.db2.gz OZDGQAIVHKZMDQ-NSHDSACASA-N 0 3 235.302 2.451 10 30 BEEEHN CC[C@H](C)OCCOc1ccc(C#CCN)cc1 ZINC000049611098 171355707 /nfs/dbraw/zinc/35/57/07/171355707.db2.gz OTAHNROWXSGMCT-ZDUSSCGKSA-N 0 3 247.338 2.191 10 30 BEEEHN CC[C@H](C)[C@H](N)C(=O)Nc1cccc(F)c1C#N ZINC000036158331 171396403 /nfs/dbraw/zinc/39/64/03/171396403.db2.gz IUUYGLYPVAZPNP-UFBFGSQYSA-N 0 3 249.289 2.009 10 30 BEEEHN CN1CCCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C#N ZINC000054827713 173006035 /nfs/dbraw/zinc/00/60/35/173006035.db2.gz JQPVNIONPGNLOW-MGPQQGTHSA-N 0 3 235.375 2.143 10 30 BEEEHN CN1CCN([C@@H]2CCCC[C@@H]2C#N)CC1(C)C ZINC000104138446 173092272 /nfs/dbraw/zinc/09/22/72/173092272.db2.gz WEZMETUCPFZJGE-CHWSQXEVSA-N 0 3 235.375 2.095 10 30 BEEEHN CN1CC[C@@H](Nc2cc(Cl)ccc2C#N)C1 ZINC000061985149 173125732 /nfs/dbraw/zinc/12/57/32/173125732.db2.gz GPSIWENQZLHUPE-LLVKDONJSA-N 0 3 235.718 2.328 10 30 BEEEHN C[C@H]1CN=C(NCc2cccc(F)c2)S1 ZINC000035295220 177279082 /nfs/dbraw/zinc/27/90/82/177279082.db2.gz REBPUZOHKVSFRZ-QMMMGPOBSA-N 0 3 224.304 2.407 10 30 BEEEHN COC[C@@H](C)NCC#Cc1ccc(Cl)cc1 ZINC000381450111 487507656 /nfs/dbraw/zinc/50/76/56/487507656.db2.gz HDHAORWXIQXGGT-LLVKDONJSA-N 0 3 237.730 2.316 10 30 BEEEHN CCCCCCCNCc1nccn1C ZINC000105931813 588231513 /nfs/dbraw/zinc/23/15/13/588231513.db2.gz HAWSWFRRCPTETJ-UHFFFAOYSA-N 0 3 209.337 2.480 10 30 BEEEHN CCN(CC)CC#C[C@@H](C)OC(=O)C1CCC1 ZINC000119405346 589281707 /nfs/dbraw/zinc/28/17/07/589281707.db2.gz LGGHAVDNAOUHTK-GFCCVEGCSA-N 0 3 237.343 2.063 10 30 BEEEHN CO[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C#N)C12CCC2 ZINC000308341531 631296984 /nfs/dbraw/zinc/29/69/84/631296984.db2.gz BZICMZYFEQCYPD-ZDEQEGDKSA-N 0 3 234.343 2.226 10 30 BEEEHN CO[C@H]1CCC[C@H]1NCc1ccc(C#N)cc1F ZINC000050373703 643691189 /nfs/dbraw/zinc/69/11/89/643691189.db2.gz HUTAUTMNMQLHAP-KGLIPLIRSA-N 0 3 248.301 2.354 10 30 BEEEHN N#CC(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1ccccn1 ZINC000250256237 644752833 /nfs/dbraw/zinc/75/28/33/644752833.db2.gz TZFDWIPXWRPFAH-WRWGMCAJSA-N 0 3 226.279 2.304 10 30 BEEEHN C(#Cc1ccccc1)CNCCc1ccco1 ZINC000051814211 1171920175 /nfs/dbraw/zinc/92/01/75/1171920175.db2.gz RQHQXKSBIJFYKU-UHFFFAOYSA-N 0 3 225.291 2.463 10 30 BEEEHN C#CC[C@@H](N)c1ccccc1Br ZINC000051075162 346834135 /nfs/dbraw/zinc/83/41/35/346834135.db2.gz AMCKVTPHURCSRN-SNVBAGLBSA-N 0 3 224.101 2.472 10 30 BEEEHN N#Cc1ccc(-c2cnccc2N)s1 ZINC000127001251 342810865 /nfs/dbraw/zinc/81/08/65/342810865.db2.gz QTQVXFATLVLOSV-UHFFFAOYSA-N 0 3 201.254 2.264 10 30 BEEEHN C#CCNCc1cccc(Br)c1 ZINC000019875344 187217200 /nfs/dbraw/zinc/21/72/00/187217200.db2.gz KUXWJYHGOHNBKX-UHFFFAOYSA-N 0 3 224.101 2.172 10 30 BEEEHN C#Cc1cccc(OCCN2CCCC2)c1 ZINC000118630697 343051736 /nfs/dbraw/zinc/05/17/36/343051736.db2.gz MMNJEFRVKSRZBJ-UHFFFAOYSA-N 0 3 215.296 2.143 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NCCC1CCOCC1 ZINC000310163726 343358348 /nfs/dbraw/zinc/35/83/48/343358348.db2.gz RBCOXDSQJDYLEM-UONOGXRCSA-N 0 3 236.359 2.475 10 30 BEEEHN C=CCN1CCC[C@@H](n2ccnc2CC)C1 ZINC000105897412 136363712 /nfs/dbraw/zinc/36/37/12/136363712.db2.gz PHBPVKYYFGAXQC-GFCCVEGCSA-N 0 3 219.332 2.268 10 30 BEEEHN CCN1CCO[C@H](c2cccc(C#N)c2)CC1 ZINC000616687425 343537026 /nfs/dbraw/zinc/53/70/26/343537026.db2.gz YCLNBGBZLASUIX-AWEZNQCLSA-N 0 3 230.311 2.342 10 30 BEEEHN CC(C)N(CCCO)[C@@H]1C[C@H](C)CC[C@@H]1C#N ZINC000042504326 187265439 /nfs/dbraw/zinc/26/54/39/187265439.db2.gz BFKHUOLNXVIWTC-MGPQQGTHSA-N 0 3 238.375 2.408 10 30 BEEEHN COCC[C@H](C)N[C@H]1CCCC[C@H]1C#N ZINC000251280331 343708589 /nfs/dbraw/zinc/70/85/89/343708589.db2.gz ZBOIJIVICOUBCT-SRVKXCTJSA-N 0 3 210.321 2.083 10 30 BEEEHN CCCCCCCNc1cc(N)nc(C)n1 ZINC000409430006 343807122 /nfs/dbraw/zinc/80/71/22/343807122.db2.gz KJUUSVLSTXZYHY-UHFFFAOYSA-N 0 3 222.336 2.171 10 30 BEEEHN CO[C@](C)(CN[C@H]1CCC[C@H]1C#N)C1CC1 ZINC000381044275 343883913 /nfs/dbraw/zinc/88/39/13/343883913.db2.gz GSVLCWULLXUTBH-WCFLWFBJSA-N 0 3 222.332 2.083 10 30 BEEEHN Cc1cc(NC2CCN(C)CC2)c(C#N)c(C)n1 ZINC000157390670 344045737 /nfs/dbraw/zinc/04/57/37/344045737.db2.gz ROFGAUSASWLYLT-UHFFFAOYSA-N 0 3 244.342 2.076 10 30 BEEEHN CC#CC[C@H](N)c1ccncc1Br ZINC000307638922 343957546 /nfs/dbraw/zinc/95/75/46/343957546.db2.gz YZWRZHISQVXTCF-JTQLQIEISA-N 0 3 239.116 2.257 10 30 BEEEHN CCCCNC(=N)Nc1nncc2ccccc21 ZINC000027903948 344318254 /nfs/dbraw/zinc/31/82/54/344318254.db2.gz PYOBTAPFMUJLAP-UHFFFAOYSA-N 0 3 243.314 2.157 10 30 BEEEHN C[C@@H]1C[C@H](C)CN1Cc1ccnc(C#N)c1 ZINC000135512418 344505736 /nfs/dbraw/zinc/50/57/36/344505736.db2.gz IAQNWSMQZIGGCA-WDEREUQCSA-N 0 3 215.300 2.184 10 30 BEEEHN CCOCCCN[C@H]1CCCC[C@@H]1C#N ZINC000054824274 344457688 /nfs/dbraw/zinc/45/76/88/344457688.db2.gz IBONAVDRNALSGN-NEPJUHHUSA-N 0 3 210.321 2.085 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NCCc1ccncc1 ZINC000054825564 344471668 /nfs/dbraw/zinc/47/16/68/344471668.db2.gz OWQGWGOGACJMAW-KBPBESRZSA-N 0 3 229.327 2.296 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCCO1 ZINC000054826045 344471703 /nfs/dbraw/zinc/47/17/03/344471703.db2.gz BZFKZFNHSUASSY-AVGNSLFASA-N 0 3 222.332 2.227 10 30 BEEEHN N#C[C@H]1CCCC[C@@H]1NCCc1ccncc1 ZINC000054825562 344471881 /nfs/dbraw/zinc/47/18/81/344471881.db2.gz OWQGWGOGACJMAW-KGLIPLIRSA-N 0 3 229.327 2.296 10 30 BEEEHN C#CCNCc1ccc(OCC)c(OCC)c1 ZINC000045945311 192075381 /nfs/dbraw/zinc/07/53/81/192075381.db2.gz GICQOXNWPPYTBU-UHFFFAOYSA-N 0 3 233.311 2.207 10 30 BEEEHN C[C@@H]1CSC[C@@H]1N[C@H]1CCC[C@@H]1C#N ZINC000306235822 345130038 /nfs/dbraw/zinc/13/00/38/345130038.db2.gz OOSSLYFQBVYVAD-ZNSHCXBVSA-N 0 3 210.346 2.020 10 30 BEEEHN O=CC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000034181441 345818983 /nfs/dbraw/zinc/81/89/83/345818983.db2.gz VSBXJHJSMPWUDO-AWEZNQCLSA-N 0 3 217.312 2.488 10 30 BEEEHN C#C[C@@H](N)c1cccc(C)c1Br ZINC000235809212 345915536 /nfs/dbraw/zinc/91/55/36/345915536.db2.gz ADYYZHPFHNZXSN-SECBINFHSA-N 0 3 224.101 2.391 10 30 BEEEHN C=C[C@@H](C)Oc1cccc(CNCCOC)c1 ZINC000062731724 187361906 /nfs/dbraw/zinc/36/19/06/187361906.db2.gz SOFMYPRBLAQDMX-GFCCVEGCSA-N 0 3 235.327 2.376 10 30 BEEEHN N#C[C@H]1CCC[C@@H]1NCC1CC(F)(F)C1 ZINC000336232667 346203006 /nfs/dbraw/zinc/20/30/06/346203006.db2.gz DWLTYGBZLDDVTL-ZJUUUORDSA-N 0 3 214.259 2.314 10 30 BEEEHN N#C[C@H]1CCC[C@H]1NCC1CC(F)(F)C1 ZINC000336232664 346203364 /nfs/dbraw/zinc/20/33/64/346203364.db2.gz DWLTYGBZLDDVTL-NXEZZACHSA-N 0 3 214.259 2.314 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1NCC1CC(F)(F)C1 ZINC000336232666 346203443 /nfs/dbraw/zinc/20/34/43/346203443.db2.gz DWLTYGBZLDDVTL-VHSXEESVSA-N 0 3 214.259 2.314 10 30 BEEEHN COc1ccc(C#C[C@H](C)N)cc1Cl ZINC000167016850 346183452 /nfs/dbraw/zinc/18/34/52/346183452.db2.gz FBFXVXRSQKMKAH-QMMMGPOBSA-N 0 3 209.676 2.047 10 30 BEEEHN C#C[C@@H](N)[C@@H](C)Oc1cccc(Cl)c1 ZINC000163753592 346574986 /nfs/dbraw/zinc/57/49/86/346574986.db2.gz NTBFTKCWZZXCAH-LDYMZIIASA-N 0 3 209.676 2.068 10 30 BEEEHN N/C(=N/O)[C@H]1CCCCN1CC1CCCCC1 ZINC000203551803 346637081 /nfs/dbraw/zinc/63/70/81/346637081.db2.gz COONNGOHJADQGL-GFCCVEGCSA-N 0 3 239.363 2.168 10 30 BEEEHN Cn1cc([C@@H]2CCCN2CCC(C)(C)C#N)cn1 ZINC000119911093 347313545 /nfs/dbraw/zinc/31/35/45/347313545.db2.gz MCTKRYLEVHROET-ZDUSSCGKSA-N 0 3 246.358 2.497 10 30 BEEEHN CC[C@](C)(CN[C@H]1CCC[C@H]1C#N)OC ZINC000322681242 347405553 /nfs/dbraw/zinc/40/55/53/347405553.db2.gz IEQIUIQZRZDTNE-SDDRHHMPSA-N 0 3 210.321 2.083 10 30 BEEEHN CC[C@](C)(CN[C@@H]1CCC[C@H]1C#N)OC ZINC000322681237 347405626 /nfs/dbraw/zinc/40/56/26/347405626.db2.gz IEQIUIQZRZDTNE-QJPTWQEYSA-N 0 3 210.321 2.083 10 30 BEEEHN Cc1ccccc1CN(CC/C(N)=N/O)C1CC1 ZINC000042531542 179272761 /nfs/dbraw/zinc/27/27/61/179272761.db2.gz DFNFEPKMVFTEOO-UHFFFAOYSA-N 0 3 247.342 2.096 10 30 BEEEHN CCSCCN[C@H]1CCCC[C@@H]1C#N ZINC000308540386 347822468 /nfs/dbraw/zinc/82/24/68/347822468.db2.gz NSCFCMUEYNBSDZ-MNOVXSKESA-N 0 3 212.362 2.411 10 30 BEEEHN CC(C)(C)OCCNCc1cccc(C#N)c1 ZINC000122181783 362940705 /nfs/dbraw/zinc/94/07/05/362940705.db2.gz YFKQVNVWQKSHLJ-UHFFFAOYSA-N 0 3 232.327 2.463 10 30 BEEEHN Cc1ccc(CN2C[C@H](O)C[C@H](C)C2)cc1C#N ZINC000599434476 349173841 /nfs/dbraw/zinc/17/38/41/349173841.db2.gz BHCPPHZYEWFTOS-XHDPSFHLSA-N 0 3 244.338 2.069 10 30 BEEEHN C[C@@H](C#N)Oc1c(Cl)cccc1CN ZINC000159163040 349309408 /nfs/dbraw/zinc/30/94/08/349309408.db2.gz RUNBNKIOMXSYKP-ZETCQYMHSA-N 0 3 210.664 2.090 10 30 BEEEHN N#CCC1(CN2CC[C@]3(O)CCCC[C@@H]3C2)CC1 ZINC000220291294 350169909 /nfs/dbraw/zinc/16/99/09/350169909.db2.gz RIXRMAHQWJLROV-UKRRQHHQSA-N 0 3 248.370 2.307 10 30 BEEEHN Cc1nn(CCCCC#N)c(C)c1CNC1CC1 ZINC000049578973 180387360 /nfs/dbraw/zinc/38/73/60/180387360.db2.gz RBUMYLXARQZBJM-UHFFFAOYSA-N 0 3 246.358 2.446 10 30 BEEEHN N#Cc1ccc([C@H]2CCCCN2CCO)cc1 ZINC000616614237 350830271 /nfs/dbraw/zinc/83/02/71/350830271.db2.gz MDMWKWQOVQOOHB-CQSZACIVSA-N 0 3 230.311 2.078 10 30 BEEEHN C=CCC[C@@H](N)c1ccc(S(C)(=O)=O)cc1 ZINC000129051904 350975269 /nfs/dbraw/zinc/97/52/69/350975269.db2.gz LUMGMYOYMPXLNP-GFCCVEGCSA-N 0 3 239.340 2.056 10 30 BEEEHN C=CC(C)(C)CCNC(=O)[C@H](N)[C@@H](C)CC ZINC000638454902 352264356 /nfs/dbraw/zinc/26/43/56/352264356.db2.gz NNLCQROJPVFNIZ-WDEREUQCSA-N 0 3 226.364 2.078 10 30 BEEEHN C[C@@H]1C[C@@]2(CO2)CN1Cc1ccccc1 ZINC000306598819 353028992 /nfs/dbraw/zinc/02/89/92/353028992.db2.gz YCVNBLNJZNUSFL-YPMHNXCESA-N 0 3 203.285 2.050 10 30 BEEEHN CC#CC[C@H](N)c1ccoc1Br ZINC000232564353 353133287 /nfs/dbraw/zinc/13/32/87/353133287.db2.gz LXXPYRBIOXBTJU-QMMMGPOBSA-N 0 3 228.089 2.455 10 30 BEEEHN CC(C)N(C)Cc1ccc(C#CCO)cc1F ZINC000049616529 188045790 /nfs/dbraw/zinc/04/57/90/188045790.db2.gz NDBMUMLHICSLBW-UHFFFAOYSA-N 0 3 235.302 2.010 10 30 BEEEHN C#CCOc1ccccc1CN[C@H]1C[C@@H]1C ZINC000052272481 353193475 /nfs/dbraw/zinc/19/34/75/353193475.db2.gz STATYGXDTLHLPL-AAEUAGOBSA-N 0 3 215.296 2.197 10 30 BEEEHN Cc1ccc(C)c(CN(C)[C@H](C)C/C(N)=N/O)c1 ZINC000063089765 188304226 /nfs/dbraw/zinc/30/42/26/188304226.db2.gz SRGQWGJIIAUDHA-GFCCVEGCSA-N 0 3 249.358 2.260 10 30 BEEEHN C=C(C)CN1CCC(C(=O)N(CC)CC)CC1 ZINC000058524767 188259189 /nfs/dbraw/zinc/25/91/89/188259189.db2.gz WVJROSTZQMARBK-UHFFFAOYSA-N 0 3 238.375 2.143 10 30 BEEEHN CC#CCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000090919510 353395831 /nfs/dbraw/zinc/39/58/31/353395831.db2.gz DBGWCSPKKYJURA-LLVKDONJSA-N 0 3 231.295 2.132 10 30 BEEEHN C=CCN[C@H](C)c1ccc(O)c(OC)c1 ZINC000019875926 188351625 /nfs/dbraw/zinc/35/16/25/188351625.db2.gz OTTIQVJBTVDGGY-SECBINFHSA-N 0 3 207.273 2.237 10 30 BEEEHN N#CC1(Nc2ccccc2Cl)CCNCC1 ZINC000040695157 181030710 /nfs/dbraw/zinc/03/07/10/181030710.db2.gz UHNSTUPEOHFKLB-UHFFFAOYSA-N 0 3 235.718 2.398 10 30 BEEEHN N#C[C@H]1CCCCC[C@H]1NC[C@@H]1CCCOC1 ZINC000054825917 181067679 /nfs/dbraw/zinc/06/76/79/181067679.db2.gz JWUQAIQZTFOMTN-BFHYXJOUSA-N 0 3 236.359 2.475 10 30 BEEEHN C=C(Br)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000232455397 363372998 /nfs/dbraw/zinc/37/29/98/363372998.db2.gz MNFLKXTXSATERT-VHSXEESVSA-N 0 3 246.148 2.052 10 30 BEEEHN N#Cc1ccc(CNCC[C@@H]2CCCO2)c(F)c1 ZINC000038097295 181107808 /nfs/dbraw/zinc/10/78/08/181107808.db2.gz JEEVZXBRRKGGLH-ZDUSSCGKSA-N 0 3 248.301 2.356 10 30 BEEEHN N#Cc1cccc(-c2cncc(CN)c2)c1 ZINC000091364451 181133876 /nfs/dbraw/zinc/13/38/76/181133876.db2.gz OSSVNFFADBKPNL-UHFFFAOYSA-N 0 3 209.252 2.079 10 30 BEEEHN N#Cc1ccccc1-c1cncc(CN)c1 ZINC000091362143 181144242 /nfs/dbraw/zinc/14/42/42/181144242.db2.gz MKPPXUKKSRTVNO-UHFFFAOYSA-N 0 3 209.252 2.079 10 30 BEEEHN N#Cc1ccccc1NCCN1CCCC1 ZINC000048936549 181147679 /nfs/dbraw/zinc/14/76/79/181147679.db2.gz YWVMGLRWIMPIEN-UHFFFAOYSA-N 0 3 215.300 2.066 10 30 BEEEHN N#Cc1ccccc1N[C@H]1CN2CCC1CC2 ZINC000020077182 181149038 /nfs/dbraw/zinc/14/90/38/181149038.db2.gz CWHDVVZRXYZJDN-AWEZNQCLSA-N 0 3 227.311 2.064 10 30 BEEEHN CO[C@](C)(CN[C@H]1CCCC[C@@H]1C#N)C1CC1 ZINC000383658237 354803999 /nfs/dbraw/zinc/80/39/99/354803999.db2.gz FUNSFEFARSGJFX-KWCYVHTRSA-N 0 3 236.359 2.473 10 30 BEEEHN CSC1(CN[C@H]2CCC[C@@H]2C#N)CC1 ZINC000235118927 363438648 /nfs/dbraw/zinc/43/86/48/363438648.db2.gz WJWRMMWXAOMUNW-ZJUUUORDSA-N 0 3 210.346 2.164 10 30 BEEEHN CC(C#N)C(=O)N1CCCC[C@H]1c1nccs1 ZINC000336030937 134058186 /nfs/dbraw/zinc/05/81/86/134058186.db2.gz WQWXDDCSQWJCGY-UWVGGRQHSA-N 0 3 249.339 2.356 10 30 BEEEHN C=CCN[C@H](C)c1ccc2c(c1)OCCO2 ZINC000019875880 356485202 /nfs/dbraw/zinc/48/52/02/356485202.db2.gz PIHRAXRUPLQGCY-SNVBAGLBSA-N 0 3 219.284 2.294 10 30 BEEEHN C=CCCCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000193303486 357873558 /nfs/dbraw/zinc/87/35/58/357873558.db2.gz IUUWUOMFJCGLCP-CYBMUJFWSA-N 0 3 238.375 2.285 10 30 BEEEHN COCC#C[C@H](C)N(C)Cc1ccccc1 ZINC000584595445 358253108 /nfs/dbraw/zinc/25/31/08/358253108.db2.gz VARCASWVAOGDNI-ZDUSSCGKSA-N 0 3 217.312 2.157 10 30 BEEEHN CCN(CC)CCNN=C(C1CC1)C1CC1 ZINC000584602403 358260137 /nfs/dbraw/zinc/26/01/37/358260137.db2.gz YDWYQCVFDQLWNQ-UHFFFAOYSA-N 0 3 223.364 2.094 10 30 BEEEHN OCCC[C@H]1CCCN1CC#Cc1ccccc1 ZINC000052762653 358793284 /nfs/dbraw/zinc/79/32/84/358793284.db2.gz CXSGCTRDSOGKBD-MRXNPFEDSA-N 0 3 243.350 2.275 10 30 BEEEHN CC(C)[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000070361726 359050924 /nfs/dbraw/zinc/05/09/24/359050924.db2.gz ZBMNHGFFQXKJTL-SYQHCUMBSA-N 0 3 236.359 2.472 10 30 BEEEHN Cc1ccc([C@H](C)NC(=O)C(C)C#N)cc1F ZINC000094929764 360327090 /nfs/dbraw/zinc/32/70/90/360327090.db2.gz PPUQBQYGOXCBAB-UWVGGRQHSA-N 0 3 234.274 2.471 10 30 BEEEHN N#Cc1cccc(OCCN2C[C@@H]3CCC[C@H]32)c1 ZINC000435203764 201255761 /nfs/dbraw/zinc/25/57/61/201255761.db2.gz YXPPYCVEYGPXTF-DZGCQCFKSA-N 0 3 242.322 2.421 10 30 BEEEHN N#Cc1cc(CNCc2ccccc2)ccn1 ZINC000068751139 361643671 /nfs/dbraw/zinc/64/36/71/361643671.db2.gz OARYVEQGPFYBBC-UHFFFAOYSA-N 0 3 223.279 2.243 10 30 BEEEHN C#CCOc1c(CNC(C)C)cccc1OC ZINC000037709695 363895868 /nfs/dbraw/zinc/89/58/68/363895868.db2.gz JZVFBASAPUUPJI-UHFFFAOYSA-N 0 3 233.311 2.205 10 30 BEEEHN CC[C@H]1CCCCCN1C(=O)C(C)C#N ZINC000134805601 364414415 /nfs/dbraw/zinc/41/44/15/364414415.db2.gz XBCMHUUXVRYLOD-QWRGUYRKSA-N 0 3 208.305 2.327 10 30 BEEEHN C[C@@H](NCc1cccc(C#N)c1F)[C@H]1CCCO1 ZINC000230632526 369452080 /nfs/dbraw/zinc/45/20/80/369452080.db2.gz MYHUNAQUDUYTLZ-ZWNOBZJWSA-N 0 3 248.301 2.354 10 30 BEEEHN C[C@@H](NCc1cccc(C#N)c1F)[C@@H]1CCCO1 ZINC000230632508 369452343 /nfs/dbraw/zinc/45/23/43/369452343.db2.gz MYHUNAQUDUYTLZ-MFKMUULPSA-N 0 3 248.301 2.354 10 30 BEEEHN CCNCC#Cc1occc1Br ZINC000229453826 372152944 /nfs/dbraw/zinc/15/29/44/372152944.db2.gz RFTIQZRHMLKHPM-UHFFFAOYSA-N 0 3 228.089 2.003 10 30 BEEEHN CCN1CCC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000040503283 373354350 /nfs/dbraw/zinc/35/43/50/373354350.db2.gz BINFNUIJKOXBDY-AWEZNQCLSA-N 0 3 229.327 2.454 10 30 BEEEHN CCN(CCC#N)[C@@H](CN)c1ccc(C)cc1 ZINC000042906624 169815198 /nfs/dbraw/zinc/81/51/98/169815198.db2.gz SJAUWUBAYKHAHX-AWEZNQCLSA-N 0 3 231.343 2.230 10 30 BEEEHN OCCC#Cc1cc(CN2CCCC2)ccc1F ZINC000049615611 183040711 /nfs/dbraw/zinc/04/07/11/183040711.db2.gz FSBBOUGEWJBWSR-UHFFFAOYSA-N 0 3 247.313 2.155 10 30 BEEEHN CC#CCN(CCC)C[C@H]1CCCCO1 ZINC000119377470 384358624 /nfs/dbraw/zinc/35/86/24/384358624.db2.gz VKECLDHFJVIEFO-CYBMUJFWSA-N 0 3 209.333 2.291 10 30 BEEEHN N#CCCNC1C2CC3CC(C2)CC1C3 ZINC000035160705 384403311 /nfs/dbraw/zinc/40/33/11/384403311.db2.gz PMGPIWMORUWUJB-UHFFFAOYSA-N 0 3 204.317 2.314 10 30 BEEEHN COc1ccc(CN[C@@H]2C[C@H]2C)cc1C#N ZINC000083730045 384850493 /nfs/dbraw/zinc/85/04/93/384850493.db2.gz LNRPAWRBUSMPNH-BXKDBHETSA-N 0 3 216.284 2.065 10 30 BEEEHN Cc1cnn([C@@H]2CCCN(CCCC#N)C2)c1 ZINC000105900583 384889235 /nfs/dbraw/zinc/88/92/35/384889235.db2.gz OWPOBXYVNXAFCN-CYBMUJFWSA-N 0 3 232.331 2.132 10 30 BEEEHN N#Cc1ccc(C(F)(F)F)cc1CN ZINC000259887299 385589913 /nfs/dbraw/zinc/58/99/13/385589913.db2.gz BJZIMKNMBDBXPD-UHFFFAOYSA-N 0 3 200.163 2.036 10 30 BEEEHN C[C@H](N[C@@H]1CCC[C@H]1C#N)[C@H]1CCCOC1 ZINC000309589771 385720683 /nfs/dbraw/zinc/72/06/83/385720683.db2.gz ULSATMDYARTERU-ZDEQEGDKSA-N 0 3 222.332 2.083 10 30 BEEEHN N#Cc1cc(C(F)(F)F)ccc1CN ZINC000260396157 385792965 /nfs/dbraw/zinc/79/29/65/385792965.db2.gz ZHJVVCOELWPEGV-UHFFFAOYSA-N 0 3 200.163 2.036 10 30 BEEEHN C[C@H](NCC#Cc1ccccc1)[C@@H]1CCCO1 ZINC000051814132 386870818 /nfs/dbraw/zinc/87/08/18/386870818.db2.gz FZBSFMUWOQDZIO-ZFWWWQNUSA-N 0 3 229.323 2.195 10 30 BEEEHN CCNCC#Cc1ccc(Br)cc1 ZINC000575458018 387021752 /nfs/dbraw/zinc/02/17/52/387021752.db2.gz XXTKANDUJFEKSA-UHFFFAOYSA-N 0 3 238.128 2.410 10 30 BEEEHN C[C@@H](N)C#Cc1cccc(Br)c1 ZINC000575493438 387273310 /nfs/dbraw/zinc/27/33/10/387273310.db2.gz NMUOLEVRORUWAO-MRVPVSSYSA-N 0 3 224.101 2.148 10 30 BEEEHN CC(C#N)C(=O)N[C@H]1CCCc2ccccc21 ZINC000051632517 387800438 /nfs/dbraw/zinc/80/04/38/387800438.db2.gz MYRYJZSCXXQKCS-MFKMUULPSA-N 0 3 228.295 2.340 10 30 BEEEHN C[C@@H]1C[C@@H](N[C@@H]2CCC[C@H]2C#N)C[C@H](C)O1 ZINC000251710126 388751819 /nfs/dbraw/zinc/75/18/19/388751819.db2.gz BPHSKBDYLYXLKL-FPYNETTCSA-N 0 3 222.332 2.224 10 30 BEEEHN CC#CCN1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000119280725 134225608 /nfs/dbraw/zinc/22/56/08/134225608.db2.gz RXXTWJSSOIPXJS-CYBMUJFWSA-N 0 3 231.343 2.197 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1NCC[C@@H]1CCCCO1 ZINC000223941612 134343555 /nfs/dbraw/zinc/34/35/55/134343555.db2.gz RZEFRRHLRJVASI-AVGNSLFASA-N 0 3 222.332 2.227 10 30 BEEEHN C[C@@H](CCC#N)N[C@H](CO)c1ccccc1 ZINC000278503681 135368398 /nfs/dbraw/zinc/36/83/98/135368398.db2.gz AOUUVHXEIJRAIQ-WCQYABFASA-N 0 3 218.300 2.002 10 30 BEEEHN C[C@@H](NCC#Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000183099975 135542993 /nfs/dbraw/zinc/54/29/93/135542993.db2.gz UXUHEFNHEOPUFZ-DOMZBBRYSA-N 0 3 247.313 2.334 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1NC1Cc2ccccc2C1 ZINC000061891896 398107693 /nfs/dbraw/zinc/10/76/93/398107693.db2.gz OWAOGFLJDCKCSG-DZGCQCFKSA-N 0 3 226.323 2.436 10 30 BEEEHN C#CCNCCN(C)[C@@H](C)c1ccccc1F ZINC000062020930 166187821 /nfs/dbraw/zinc/18/78/21/166187821.db2.gz KYNKVQTXVLMQCA-LBPRGKRZSA-N 0 3 234.318 2.041 10 30 BEEEHN C#CCNC[C@@H](C)N(Cc1cccs1)C1CC1 ZINC000053498220 166187945 /nfs/dbraw/zinc/18/79/45/166187945.db2.gz IVYGRKJLEIYMTG-GFCCVEGCSA-N 0 3 248.395 2.324 10 30 BEEEHN C#CCN[C@@H]1CCSc2ccccc21 ZINC000019875558 166191301 /nfs/dbraw/zinc/19/13/01/166191301.db2.gz PWHJDPJKZPZMNN-LLVKDONJSA-N 0 3 203.310 2.446 10 30 BEEEHN C=CCN(C(=O)[C@H](N)CC(C)C)C1CCCC1 ZINC000037817672 166311104 /nfs/dbraw/zinc/31/11/04/166311104.db2.gz QHQHITFESLWRFE-CYBMUJFWSA-N 0 3 238.375 2.317 10 30 BEEEHN C=CCN(CC=C)Cc1cc(CNC)c(C)o1 ZINC000052376443 166335908 /nfs/dbraw/zinc/33/59/08/166335908.db2.gz QYXARHSZWCKFQZ-UHFFFAOYSA-N 0 3 234.343 2.481 10 30 BEEEHN C=CCN1C[C@@H](N)c2cc(Cl)ccc21 ZINC000039941583 166358149 /nfs/dbraw/zinc/35/81/49/166358149.db2.gz PZTVAEMSUMUMOW-SNVBAGLBSA-N 0 3 208.692 2.346 10 30 BEEEHN CC(C)CN(CCN(C)C)[C@@H]1CCC[C@@H]1C#N ZINC000042764752 166956625 /nfs/dbraw/zinc/95/66/25/166956625.db2.gz KFDBWTHCHONXBK-ZIAGYGMSSA-N 0 3 237.391 2.198 10 30 BEEEHN CCOCCCNCc1ccccc1C#N ZINC000020054981 170381890 /nfs/dbraw/zinc/38/18/90/170381890.db2.gz DTWPJAPLPSWLFD-UHFFFAOYSA-N 0 3 218.300 2.074 10 30 BEEEHN C=CC[C@@H]1CCCN(C(=O)[C@H](N)[C@H](C)CC)C1 ZINC000662635814 412253091 /nfs/dbraw/zinc/25/30/91/412253091.db2.gz NKNOUBLKMHSLBP-JHJVBQTASA-N 0 3 238.375 2.175 10 30 BEEEHN C=CC[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](N)CCC ZINC000662842389 412318920 /nfs/dbraw/zinc/31/89/20/412318920.db2.gz NUWQQAHFJOFJRM-AGIUHOORSA-N 0 3 238.375 2.365 10 30 BEEEHN CN1CCC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000042277167 173045528 /nfs/dbraw/zinc/04/55/28/173045528.db2.gz MYVKVIYKTJSFBO-ZDUSSCGKSA-N 0 3 215.300 2.064 10 30 BEEEHN CN1CCC[C@H](c2cccc(C#N)c2)C1 ZINC000075906574 173048333 /nfs/dbraw/zinc/04/83/33/173048333.db2.gz WTTCSLJBJDWDOC-ZDUSSCGKSA-N 0 3 200.285 2.367 10 30 BEEEHN CN1CC[C@@H](Nc2cccc(Cl)c2C#N)C1 ZINC000052904222 173125994 /nfs/dbraw/zinc/12/59/94/173125994.db2.gz KVBNKRODBXXYNU-SECBINFHSA-N 0 3 235.718 2.328 10 30 BEEEHN CN1CC[C@@H](Nc2ccc(Cl)c(C#N)c2)C1 ZINC000061985342 173126073 /nfs/dbraw/zinc/12/60/73/173126073.db2.gz HPSIIGMUWGXGAY-LLVKDONJSA-N 0 3 235.718 2.328 10 30 BEEEHN COc1cc(CN[C@H]2C[C@@H]2C)ccc1C#N ZINC000234957909 174986489 /nfs/dbraw/zinc/98/64/89/174986489.db2.gz MJVZREXXNIRYRQ-CABZTGNLSA-N 0 3 216.284 2.065 10 30 BEEEHN COc1ccc2ccccc2c1C#CCN ZINC000038077873 175226045 /nfs/dbraw/zinc/22/60/45/175226045.db2.gz ZZQCDFFTLACHRA-UHFFFAOYSA-N 0 3 211.264 2.159 10 30 BEEEHN C[C@@H]1CCCCN1Cc1cccc(/C(N)=N/O)c1 ZINC000019479091 176074157 /nfs/dbraw/zinc/07/41/57/176074157.db2.gz GHMCNSDXSISWTG-LLVKDONJSA-N 0 3 247.342 2.156 10 30 BEEEHN C[C@@H]1C[C@@H]1CN(C)Cc1sccc1C#CCO ZINC000104413751 176391938 /nfs/dbraw/zinc/39/19/38/176391938.db2.gz MDTZJJNRWVZRRY-DGCLKSJQSA-N 0 3 249.379 2.180 10 30 BEEEHN CC#CCN(C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134251809 323176952 /nfs/dbraw/zinc/17/69/52/323176952.db2.gz WSMOWGWACSTQHH-DOMZBBRYSA-N 0 3 229.323 2.334 10 30 BEEEHN C#CCN1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076107162 487958957 /nfs/dbraw/zinc/95/89/57/487958957.db2.gz OMVBQGQPSRVXSR-GJZGRUSLSA-N 0 3 229.323 2.208 10 30 BEEEHN C=C[C@@H](C)NCc1cc(OC)c2c(c1)OCCO2 ZINC000123180852 324093957 /nfs/dbraw/zinc/09/39/57/324093957.db2.gz LLYBOVUJNBYWMH-SNVBAGLBSA-N 0 3 249.310 2.131 10 30 BEEEHN COC[C@H](C)NCC#Cc1ccccc1Cl ZINC000309497206 487978317 /nfs/dbraw/zinc/97/83/17/487978317.db2.gz YSFOALZLPYVRJE-NSHDSACASA-N 0 3 237.730 2.316 10 30 BEEEHN C=CCN1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000227357624 534854722 /nfs/dbraw/zinc/85/47/22/534854722.db2.gz SNFBJEUJVGMCSM-STQMWFEESA-N 0 3 208.349 2.121 10 30 BEEEHN CCN(CC)CC#C[C@@H](C)OC(=O)C1CC=CC1 ZINC000119408920 589281937 /nfs/dbraw/zinc/28/19/37/589281937.db2.gz QWCGJLRDDZXCKG-CYBMUJFWSA-N 0 3 249.354 2.230 10 30 BEEEHN CSC[C@H](C)NCC#Cc1ccccc1 ZINC000127470049 1167403428 /nfs/dbraw/zinc/40/34/28/1167403428.db2.gz KCUGBBGSWSIQBQ-LBPRGKRZSA-N 0 3 219.353 2.379 10 30 BEEEHN CCC(C=O)(CC)CN(C)CCN1CCCC1 ZINC000063053445 168311283 /nfs/dbraw/zinc/31/12/83/168311283.db2.gz XNYZLZQDOQRZDV-UHFFFAOYSA-N 0 3 240.391 2.019 10 30 BEEEHN CC#CCOc1cc(F)ccc1[C@H](C)N ZINC000062745447 187324151 /nfs/dbraw/zinc/32/41/51/187324151.db2.gz HFTMKJJUAINJDF-VIFPVBQESA-N 0 3 207.248 2.248 10 30 BEEEHN Cc1ccc(NC2(C#N)CCNCC2)cc1 ZINC000040695135 187264366 /nfs/dbraw/zinc/26/43/66/187264366.db2.gz OXRPEUKPCOHHPI-UHFFFAOYSA-N 0 3 215.300 2.053 10 30 BEEEHN C=CCNCc1c[nH]c2ccc(OC)cc12 ZINC000083251133 187266739 /nfs/dbraw/zinc/26/67/39/187266739.db2.gz MHZUTPDDVZPRKR-UHFFFAOYSA-N 0 3 216.284 2.452 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1NCCC[C@@H]1CCOC1 ZINC000402139227 349867685 /nfs/dbraw/zinc/86/76/85/349867685.db2.gz JMOJWAPKSXDRBR-FRRDWIJNSA-N 0 3 222.332 2.085 10 30 BEEEHN CCCCCCCN[C@@H]1COC[C@H]1F ZINC000616581534 344254965 /nfs/dbraw/zinc/25/49/65/344254965.db2.gz YCKRKVKSTYACLC-GHMZBOCLSA-N 0 3 203.301 2.283 10 30 BEEEHN CO[C@@H]1CCC[C@H](N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000234829904 344271634 /nfs/dbraw/zinc/27/16/34/344271634.db2.gz ULAFTRGBZIMZMX-YVECIDJPSA-N 0 3 222.332 2.226 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NC[C@@H]1CCCOC1 ZINC000054825914 344472240 /nfs/dbraw/zinc/47/22/40/344472240.db2.gz GOLAIMCTPBTUOD-RWMBFGLXSA-N 0 3 222.332 2.085 10 30 BEEEHN C#CCC[C@H](N)c1ccc(Br)o1 ZINC000127893995 344677337 /nfs/dbraw/zinc/67/73/37/344677337.db2.gz FUHIOFQAKVKILW-ZETCQYMHSA-N 0 3 228.089 2.455 10 30 BEEEHN CC[C@@H]1CN(Cc2cccc(C#N)c2)CCN1C ZINC000104134765 187291967 /nfs/dbraw/zinc/29/19/67/187291967.db2.gz BVHIDFLJVAYDIQ-OAHLLOKOSA-N 0 3 243.354 2.084 10 30 BEEEHN C=C(Br)CNC[C@@H]1CCCCO1 ZINC000042820122 187292598 /nfs/dbraw/zinc/29/25/98/187292598.db2.gz MYSBBZMGENHQCO-VIFPVBQESA-N 0 3 234.137 2.054 10 30 BEEEHN C=CCCCN(C)C(=O)[C@@H]1CCCCN1CC ZINC000135667306 344842175 /nfs/dbraw/zinc/84/21/75/344842175.db2.gz XUUPIANMSVSVEI-ZDUSSCGKSA-N 0 3 238.375 2.285 10 30 BEEEHN CC(C)(C#N)CCN1CCN2CCCC[C@H]2C1 ZINC000252693216 534988045 /nfs/dbraw/zinc/98/80/45/534988045.db2.gz IGPXALBTVPTFDY-ZDUSSCGKSA-N 0 3 235.375 2.096 10 30 BEEEHN C=C(Br)CNC1(C)CCC1 ZINC000228852784 345408699 /nfs/dbraw/zinc/40/86/99/345408699.db2.gz MAGJRUAACPGECQ-UHFFFAOYSA-N 0 3 204.111 2.427 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1NCC1CC(F)(F)C1 ZINC000336232665 346202982 /nfs/dbraw/zinc/20/29/82/346202982.db2.gz DWLTYGBZLDDVTL-UWVGGRQHSA-N 0 3 214.259 2.314 10 30 BEEEHN Cc1cccc(CN2CCC(=NO)CC2)c1 ZINC000019516381 179074476 /nfs/dbraw/zinc/07/44/76/179074476.db2.gz ZLZRAYYSDDFZEF-UHFFFAOYSA-N 0 3 218.300 2.421 10 30 BEEEHN Cc1cc(C#N)ccc1CN1C[C@H](C)C[C@@H](O)C1 ZINC000401581465 347156859 /nfs/dbraw/zinc/15/68/59/347156859.db2.gz KIVCDXUPWKJYGE-IAQYHMDHSA-N 0 3 244.338 2.069 10 30 BEEEHN CCN(CC)CC#Cc1ccc(C#N)cc1 ZINC000059126714 347227153 /nfs/dbraw/zinc/22/71/53/347227153.db2.gz PUABJUYSXUBKAW-UHFFFAOYSA-N 0 3 212.296 2.252 10 30 BEEEHN Cc1ccccc1[C@H](CN)N(C)C[C@@H](C)C#N ZINC000043037063 179342901 /nfs/dbraw/zinc/34/29/01/179342901.db2.gz GSXLBGRHGJDSIO-FZMZJTMJSA-N 0 3 231.343 2.086 10 30 BEEEHN CC(C)(C)N1CCN[C@H](c2ccccc2C#N)C1 ZINC000616632523 351112000 /nfs/dbraw/zinc/11/20/00/351112000.db2.gz KWGGEFZQRGWHLG-AWEZNQCLSA-N 0 3 243.354 2.303 10 30 BEEEHN CCN1CCO[C@@H](c2ccc(C#N)cc2)CC1 ZINC000616666409 351226696 /nfs/dbraw/zinc/22/66/96/351226696.db2.gz RJZQXNNAEDOGBS-CQSZACIVSA-N 0 3 230.311 2.342 10 30 BEEEHN C=C(Br)CN[C@@H]1CC12CCOCC2 ZINC000307024292 351433683 /nfs/dbraw/zinc/43/36/83/351433683.db2.gz WASCQDIEJDEODN-SECBINFHSA-N 0 3 246.148 2.054 10 30 BEEEHN CC(C#N)C(=O)c1coc(Br)c1 ZINC000306998401 351412349 /nfs/dbraw/zinc/41/23/49/351412349.db2.gz YEDGNDPLORWMMI-RXMQYKEDSA-N 0 3 228.045 2.384 10 30 BEEEHN C=C([C@H](N)[C@H]1CCCCO1)C(F)(F)F ZINC000307189625 351589920 /nfs/dbraw/zinc/58/99/20/351589920.db2.gz VGPQYRHZMODAOM-SFYZADRCSA-N 0 3 209.211 2.001 10 30 BEEEHN C[C@H](CCC#N)N1CCC[C@H]1c1cnn(C)c1 ZINC000276274865 351613759 /nfs/dbraw/zinc/61/37/59/351613759.db2.gz DQNCYJYWGBHIBE-YPMHNXCESA-N 0 3 232.331 2.249 10 30 BEEEHN C=CCOc1ccccc1CNCCOCC ZINC000037269050 358471490 /nfs/dbraw/zinc/47/14/90/358471490.db2.gz SSEJERJXLSWIFW-UHFFFAOYSA-N 0 3 235.327 2.378 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NCC[C@H]1CCOC1 ZINC000300361529 352560257 /nfs/dbraw/zinc/56/02/57/352560257.db2.gz GQBWABPKHNOAHS-AVGNSLFASA-N 0 3 222.332 2.085 10 30 BEEEHN CC(C)OCCCN[C@H]1CCC[C@H]1C#N ZINC000336745481 352731465 /nfs/dbraw/zinc/73/14/65/352731465.db2.gz BDCPWTMOZWEOBU-RYUDHWBXSA-N 0 3 210.321 2.083 10 30 BEEEHN C=CCCC(C)(C)CNC(=O)[C@@H](N)CCC ZINC000638874133 353044336 /nfs/dbraw/zinc/04/43/36/353044336.db2.gz FTZZWCOASAQZHN-NSHDSACASA-N 0 3 226.364 2.222 10 30 BEEEHN C#C[C@@H](N)c1c(C)cccc1Br ZINC000307712675 353106808 /nfs/dbraw/zinc/10/68/08/353106808.db2.gz XSYXKFNBQIYWSJ-SECBINFHSA-N 0 3 224.101 2.391 10 30 BEEEHN C=CCn1c2ccccc2nc1[C@H](C)N ZINC000019734257 188003560 /nfs/dbraw/zinc/00/35/60/188003560.db2.gz JVUQMALHQSVZOB-VIFPVBQESA-N 0 3 201.273 2.242 10 30 BEEEHN CC#CCOc1cc(OCCC)ccc1CN ZINC000051662506 188046148 /nfs/dbraw/zinc/04/61/48/188046148.db2.gz FLULXHFDEASPTB-UHFFFAOYSA-N 0 3 233.311 2.336 10 30 BEEEHN CC(C)N(C)Cc1ccc(F)c(C#CCO)c1 ZINC000049616535 188046373 /nfs/dbraw/zinc/04/63/73/188046373.db2.gz CEEYUJNQLMERJL-UHFFFAOYSA-N 0 3 235.302 2.010 10 30 BEEEHN C#CCn1c(C)nc(CCc2ccccc2)c1N ZINC000103730198 188051888 /nfs/dbraw/zinc/05/18/88/188051888.db2.gz HUUAJBCVTBWRKA-UHFFFAOYSA-N 0 3 239.322 2.192 10 30 BEEEHN C#CCOc1ccccc1CN[C@@H]1C[C@@H]1C ZINC000052272485 353192822 /nfs/dbraw/zinc/19/28/22/353192822.db2.gz STATYGXDTLHLPL-WCQYABFASA-N 0 3 215.296 2.197 10 30 BEEEHN C=C(Cl)CN1CCC[C@H]1Cn1ccnc1C ZINC000178292896 188252881 /nfs/dbraw/zinc/25/28/81/188252881.db2.gz NBZTYYPRZVSTFL-LBPRGKRZSA-N 0 3 239.750 2.408 10 30 BEEEHN C#CCOc1ccc(Cl)cc1CNC ZINC000037703359 188255285 /nfs/dbraw/zinc/25/52/85/188255285.db2.gz UAHJQUUHMQPQLB-UHFFFAOYSA-N 0 3 209.676 2.071 10 30 BEEEHN CN/C(Cc1c([O-])ccc2ccccc21)=[NH+]\C ZINC000029417017 188283793 /nfs/dbraw/zinc/28/37/93/188283793.db2.gz KUTYYYHMZZZKDM-UHFFFAOYSA-N 0 3 228.295 2.336 10 30 BEEEHN N#CCCCCOc1ccc(CN)cc1[N+](=O)[O-] ZINC000049578192 188298680 /nfs/dbraw/zinc/29/86/80/188298680.db2.gz UQCXYFHZQGTKTC-UHFFFAOYSA-N 0 3 249.270 2.126 10 30 BEEEHN CC(C)N(C)Cc1ccc(C#CCCO)cc1F ZINC000049616516 188399766 /nfs/dbraw/zinc/39/97/66/188399766.db2.gz RBBREGSBWFZGIN-UHFFFAOYSA-N 0 3 249.329 2.400 10 30 BEEEHN Fc1cccc2c1[C@@H](CCS)NCC2 ZINC000083730192 181007424 /nfs/dbraw/zinc/00/74/24/181007424.db2.gz JWSVQULDQCHDAT-SNVBAGLBSA-N 0 3 211.305 2.332 10 30 BEEEHN CC(C)OCCCN[C@@H]1CCCC[C@@H]1C#N ZINC000383535542 353889385 /nfs/dbraw/zinc/88/93/85/353889385.db2.gz JFYUPXFOZHXJPQ-CHWSQXEVSA-N 0 3 224.348 2.473 10 30 BEEEHN CC(C)OCCCN[C@@H]1CCCC[C@H]1C#N ZINC000383535549 353890269 /nfs/dbraw/zinc/89/02/69/353890269.db2.gz JFYUPXFOZHXJPQ-QWHCGFSZSA-N 0 3 224.348 2.473 10 30 BEEEHN N#CC(C(=O)[C@@H]1CCCOC1)c1cccc(F)c1 ZINC000062235983 181053995 /nfs/dbraw/zinc/05/39/95/181053995.db2.gz GCDICTXDKLDVDY-DGCLKSJQSA-N 0 3 247.269 2.429 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NCCN1CCCCC1 ZINC000054827346 181058306 /nfs/dbraw/zinc/05/83/06/181058306.db2.gz CMFCFLBHCFUQSR-KBPBESRZSA-N 0 3 235.375 2.144 10 30 BEEEHN C=CCOc1ccccc1CNC[C@H](C)N(C)C ZINC000038087539 358482758 /nfs/dbraw/zinc/48/27/58/358482758.db2.gz GXPNCZCHDZTCHN-ZDUSSCGKSA-N 0 3 248.370 2.291 10 30 BEEEHN N#C[C@H]1CCC[C@H]1N1CC[C@H](N2CCCCC2)C1 ZINC000062979975 181068930 /nfs/dbraw/zinc/06/89/30/181068930.db2.gz CFFDFNXNAIWUGX-QLFBSQMISA-N 0 3 247.386 2.239 10 30 BEEEHN N#Cc1ccc(CNC2=NCCCS2)cc1 ZINC000051354687 181107055 /nfs/dbraw/zinc/10/70/55/181107055.db2.gz AXVXHXQDCGCXPV-UHFFFAOYSA-N 0 3 231.324 2.141 10 30 BEEEHN N#Cc1ccc(F)c(CNC[C@H]2CCCCO2)c1 ZINC000042821022 181112961 /nfs/dbraw/zinc/11/29/61/181112961.db2.gz TWBYMMBTCYQLCD-CYBMUJFWSA-N 0 3 248.301 2.356 10 30 BEEEHN CO[C@](C)(CN[C@H]1CCCC[C@H]1C#N)C1CC1 ZINC000383658230 354804389 /nfs/dbraw/zinc/80/43/89/354804389.db2.gz FUNSFEFARSGJFX-FPMFFAJLSA-N 0 3 236.359 2.473 10 30 BEEEHN COC(C)(C)CCN[C@H]1CCC[C@@H]1C#N ZINC000234565130 363425060 /nfs/dbraw/zinc/42/50/60/363425060.db2.gz GWBGEKMFSOLOEL-MNOVXSKESA-N 0 3 210.321 2.083 10 30 BEEEHN COCCCCCN[C@@H]1CCC[C@@H]1C#N ZINC000234623484 363426084 /nfs/dbraw/zinc/42/60/84/363426084.db2.gz BVALMMDHOOAJGA-VXGBXAGGSA-N 0 3 210.321 2.085 10 30 BEEEHN N#Cc1ncccc1CNC1CCCCC1 ZINC000061656784 181170811 /nfs/dbraw/zinc/17/08/11/181170811.db2.gz ACCXAENWZDYJLW-UHFFFAOYSA-N 0 3 215.300 2.376 10 30 BEEEHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cccs1 ZINC000035139658 134161795 /nfs/dbraw/zinc/16/17/95/134161795.db2.gz GCKPNSKLOOFPJO-UWVGGRQHSA-N 0 3 238.356 2.089 10 30 BEEEHN C#C[C@H](NCC)[C@@H]1CS[C@H](C)[C@@H](C)S1 ZINC000300031778 357174498 /nfs/dbraw/zinc/17/44/98/357174498.db2.gz UJNADOJFVZNFBI-ZNSHCXBVSA-N 0 3 229.414 2.223 10 30 BEEEHN C[C@H]1CN2CCCC[C@@H]2CN1CC1(CC#N)CC1 ZINC000094446050 357511052 /nfs/dbraw/zinc/51/10/52/357511052.db2.gz WNSIQDTVJRUVSS-UONOGXRCSA-N 0 3 247.386 2.239 10 30 BEEEHN N#Cc1ccccc1OCCN1C[C@H]2CCC[C@@H]21 ZINC000351224312 358163451 /nfs/dbraw/zinc/16/34/51/358163451.db2.gz JZYXMOSXSYDLTJ-KGLIPLIRSA-N 0 3 242.322 2.421 10 30 BEEEHN CC(C#N)C(=O)N(C)Cc1ccc(Cl)cc1 ZINC000044824270 358555882 /nfs/dbraw/zinc/55/58/82/358555882.db2.gz HTBLAWYKWWLUQE-VIFPVBQESA-N 0 3 236.702 2.458 10 30 BEEEHN N#CCCCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000043425433 358538316 /nfs/dbraw/zinc/53/83/16/358538316.db2.gz RWGUZYXRMIJPLC-CHWSQXEVSA-N 0 3 222.332 2.324 10 30 BEEEHN CN(Cc1ccccc1)[C@H]1CCC[C@@](N)(C#N)C1 ZINC000403386661 358944286 /nfs/dbraw/zinc/94/42/86/358944286.db2.gz GNXNWHLJDILBAO-GJZGRUSLSA-N 0 3 243.354 2.282 10 30 BEEEHN CC(C)(C#N)CCCN1CCN2CCCC[C@H]2C1 ZINC000248325377 359263173 /nfs/dbraw/zinc/26/31/73/359263173.db2.gz BESMCDTZUNCORY-AWEZNQCLSA-N 0 3 249.402 2.486 10 30 BEEEHN CNC1(C(=O)CC#CC(C)(C)C)CCC1 ZINC000306524763 360369344 /nfs/dbraw/zinc/36/93/44/360369344.db2.gz ZZMCHTKSGMONGC-UHFFFAOYSA-N 0 3 207.317 2.137 10 30 BEEEHN N#Cc1ccc(OCCN2C[C@@H]3CCC[C@@H]32)cc1 ZINC000435198410 201256101 /nfs/dbraw/zinc/25/61/01/201256101.db2.gz YHFUREAASMGSQR-ZFWWWQNUSA-N 0 3 242.322 2.421 10 30 BEEEHN NCC#Cc1cc(F)ccc1OC1CCCC1 ZINC000037548079 181345612 /nfs/dbraw/zinc/34/56/12/181345612.db2.gz FIYDNKFBJSTNLD-UHFFFAOYSA-N 0 3 233.286 2.457 10 30 BEEEHN NCC#Cc1ccccc1COCc1ccco1 ZINC000049610360 181346578 /nfs/dbraw/zinc/34/65/78/181346578.db2.gz DGZNMRMGMFNENG-UHFFFAOYSA-N 0 3 241.290 2.307 10 30 BEEEHN C#CCNCc1cccc(OCCC)c1 ZINC000038038244 363900507 /nfs/dbraw/zinc/90/05/07/363900507.db2.gz HXNKYFQZCIHLQI-UHFFFAOYSA-N 0 3 203.285 2.198 10 30 BEEEHN C#CCOc1c(Cl)cc(Cl)cc1CN ZINC000037711267 364543989 /nfs/dbraw/zinc/54/39/89/364543989.db2.gz TUIDJEHWKPPJQK-UHFFFAOYSA-N 0 3 230.094 2.464 10 30 BEEEHN C=CCN[C@@H](C)c1ccc2c(c1)OCO2 ZINC000019875865 541371808 /nfs/dbraw/zinc/37/18/08/541371808.db2.gz RUSKLUUUWSUSGA-VIFPVBQESA-N 0 3 205.257 2.252 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NC[C@H]1CCCOC1 ZINC000251078043 369650936 /nfs/dbraw/zinc/65/09/36/369650936.db2.gz GOLAIMCTPBTUOD-FRRDWIJNSA-N 0 3 222.332 2.085 10 30 BEEEHN CCNCC#Cc1sccc1Br ZINC000229455506 372154288 /nfs/dbraw/zinc/15/42/88/372154288.db2.gz GKTJYZABFJZNOZ-UHFFFAOYSA-N 0 3 244.157 2.472 10 30 BEEEHN CCSCCNCc1cccc(C#N)c1 ZINC000135529862 384164609 /nfs/dbraw/zinc/16/46/09/384164609.db2.gz MWUOUEFPEBWBDV-UHFFFAOYSA-N 0 3 220.341 2.401 10 30 BEEEHN N#Cc1cccc(CN2CCCC[C@@H](CO)C2)c1 ZINC000363357555 384842591 /nfs/dbraw/zinc/84/25/91/384842591.db2.gz ZVQQTVMKFZGGIK-OAHLLOKOSA-N 0 3 244.338 2.153 10 30 BEEEHN CN(CC1CCOCC1)CC1(C#N)CCC1 ZINC000258950102 384952977 /nfs/dbraw/zinc/95/29/77/384952977.db2.gz QQECLIUDBIUZNO-UHFFFAOYSA-N 0 3 222.332 2.039 10 30 BEEEHN CN(Cc1ccc(C#N)o1)C[C@H]1CCCOC1 ZINC000119745756 384916935 /nfs/dbraw/zinc/91/69/35/384916935.db2.gz PQZFKRRPGYWALJ-LLVKDONJSA-N 0 3 234.299 2.010 10 30 BEEEHN C[C@H]1[C@H](O)CCCN1Cc1ccc(CC#N)cc1 ZINC000336254962 385102835 /nfs/dbraw/zinc/10/28/35/385102835.db2.gz KKQFLRUWMZTMSA-SWLSCSKDSA-N 0 3 244.338 2.098 10 30 BEEEHN N#C[C@H]1CCC[C@@H](NC2CC(F)(F)C2)C1 ZINC000308852259 385217035 /nfs/dbraw/zinc/21/70/35/385217035.db2.gz DRNITKJJEAUMFP-DTWKUNHWSA-N 0 3 214.259 2.456 10 30 BEEEHN CO[C@]1(C)CCN[C@H](c2ccc(C#N)cc2)C1 ZINC000584599231 385469472 /nfs/dbraw/zinc/46/94/72/385469472.db2.gz YTNNVDFOEBYUMZ-UONOGXRCSA-N 0 3 230.311 2.388 10 30 BEEEHN CCNCc1ccc(Br)cc1C#N ZINC000260812002 385794037 /nfs/dbraw/zinc/79/40/37/385794037.db2.gz NKGKZJGVNMODPI-UHFFFAOYSA-N 0 3 239.116 2.430 10 30 BEEEHN C=CCNCc1cn(C)c2ccccc12 ZINC000045945012 386510501 /nfs/dbraw/zinc/51/05/01/386510501.db2.gz CYCIKHWEUBJLHM-UHFFFAOYSA-N 0 3 200.285 2.454 10 30 BEEEHN C#CCOc1ccccc1CN[C@@H]1C[C@H]1C ZINC000052272483 533196326 /nfs/dbraw/zinc/19/63/26/533196326.db2.gz STATYGXDTLHLPL-DGCLKSJQSA-N 0 3 215.296 2.197 10 30 BEEEHN C=CC[C@H](N)c1ncsc1Br ZINC000575569618 387726686 /nfs/dbraw/zinc/72/66/86/387726686.db2.gz GTYNLZZGMCMWBY-YFKPBYRVSA-N 0 3 233.134 2.482 10 30 BEEEHN COCC1(CN[C@@H]2CCC[C@@H]2C#N)CCC1 ZINC000336659264 388085922 /nfs/dbraw/zinc/08/59/22/388085922.db2.gz IZBYUXNWIGCQSG-VXGBXAGGSA-N 0 3 222.332 2.085 10 30 BEEEHN NCC#Cc1c(F)cc(Br)cc1F ZINC000575519985 388356213 /nfs/dbraw/zinc/35/62/13/388356213.db2.gz BHRKNHVEFQDSDR-UHFFFAOYSA-N 0 3 246.054 2.038 10 30 BEEEHN C[C@H](N)C#Cc1ccc(Br)cc1 ZINC000575492445 388939280 /nfs/dbraw/zinc/93/92/80/388939280.db2.gz AKZHDGCEVPTWGV-QMMMGPOBSA-N 0 3 224.101 2.148 10 30 BEEEHN C[C@@H]1CN(c2ccc(C#N)cc2)C[C@@H](C)N1C ZINC000135265576 132239894 /nfs/dbraw/zinc/23/98/94/132239894.db2.gz YVULRJRVLNGSKX-VXGBXAGGSA-N 0 3 229.327 2.087 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1NCC[C@@H]1CCCCO1 ZINC000223941698 134343575 /nfs/dbraw/zinc/34/35/75/134343575.db2.gz RZEFRRHLRJVASI-RWMBFGLXSA-N 0 3 222.332 2.227 10 30 BEEEHN CC(C)[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C#N)CCO1 ZINC000251380237 135071879 /nfs/dbraw/zinc/07/18/79/135071879.db2.gz ZBMNHGFFQXKJTL-DGAVXFQQSA-N 0 3 236.359 2.472 10 30 BEEEHN C[C@H]1CN(CCCC(C)(C)C#N)C[C@H](C)O1 ZINC000087608396 135159061 /nfs/dbraw/zinc/15/90/61/135159061.db2.gz WQVBHQQSWIOVNO-RYUDHWBXSA-N 0 3 224.348 2.426 10 30 BEEEHN CC(C)N[C@](C)(C#N)CCN1CCCCC1 ZINC000045179409 167142286 /nfs/dbraw/zinc/14/22/86/167142286.db2.gz PLMWGXHXCVFDLV-ZDUSSCGKSA-N 0 3 223.364 2.143 10 30 BEEEHN C#CCOc1ccccc1CNCCCOC=C ZINC000020197709 166200408 /nfs/dbraw/zinc/20/04/08/166200408.db2.gz BDCYNVJGCJCTDR-UHFFFAOYSA-N 0 3 245.322 2.338 10 30 BEEEHN C=CCC[C@@H](NC(=O)[C@@H](C)N)c1ccccc1 ZINC000157800363 166296027 /nfs/dbraw/zinc/29/60/27/166296027.db2.gz HWWMQXLPIUHPDK-DGCLKSJQSA-N 0 3 232.327 2.157 10 30 BEEEHN C=CCN(C(=O)[C@H](N)[C@@H](C)CC)C1CCCC1 ZINC000037817667 166310576 /nfs/dbraw/zinc/31/05/76/166310576.db2.gz UWIWCFCYQZDFJT-WCQYABFASA-N 0 3 238.375 2.317 10 30 BEEEHN C=CCN(C(=O)[C@@](C)(N)C1CC1)C1CCCC1 ZINC000037817705 166311231 /nfs/dbraw/zinc/31/12/31/166311231.db2.gz MIKGPXZGTJBVCR-AWEZNQCLSA-N 0 3 236.359 2.071 10 30 BEEEHN C=CCN(C(=O)[C@](C)(N)CCC)C1CCCC1 ZINC000037817697 166313093 /nfs/dbraw/zinc/31/30/93/166313093.db2.gz OJISHNIYVDDIOM-CQSZACIVSA-N 0 3 238.375 2.461 10 30 BEEEHN C=CCNCCC(=O)c1ccc(F)cc1 ZINC000049813737 166399445 /nfs/dbraw/zinc/39/94/45/166399445.db2.gz ITAGTUMBEGSCLN-UHFFFAOYSA-N 0 3 207.248 2.174 10 30 BEEEHN C=CCNCCC(=O)c1ccc(F)c(C)c1 ZINC000049818256 166399502 /nfs/dbraw/zinc/39/95/02/166399502.db2.gz RNFFUSIPRVZRSH-UHFFFAOYSA-N 0 3 221.275 2.483 10 30 BEEEHN CC(C)N[C@](C)(C#N)CCN(C)C[C@@H]1C[C@H]1C ZINC000104423756 167142434 /nfs/dbraw/zinc/14/24/34/167142434.db2.gz FZKSMNZXLUDUET-RDBSUJKOSA-N 0 3 237.391 2.245 10 30 BEEEHN C[C@@H](O)C[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000124076488 411160092 /nfs/dbraw/zinc/16/00/92/411160092.db2.gz VHTRFYNUVZSXBU-ZBFHGGJFSA-N 0 3 243.350 2.273 10 30 BEEEHN CCN[C@@H]1CCCc2nc(CC#N)sc21 ZINC000050330138 170152255 /nfs/dbraw/zinc/15/22/55/170152255.db2.gz KKWVFCKBZOUQPX-MRVPVSSYSA-N 0 3 221.329 2.196 10 30 BEEEHN CC[C@@H]1CO[C@H](C)CN1CC(C=O)(CC)CC ZINC000051179442 171112811 /nfs/dbraw/zinc/11/28/11/171112811.db2.gz HCEFHCRVOBLJJF-CHWSQXEVSA-N 0 3 241.375 2.491 10 30 BEEEHN CCC1S/C(=N\c2cccc(O)c2)NC1=O ZINC000011638036 171153514 /nfs/dbraw/zinc/15/35/14/171153514.db2.gz ATDGFBYUCLKHBN-VIFPVBQESA-N 0 3 236.296 2.021 10 30 BEEEHN CC[C@H](C)C(=O)Nc1ccc(F)cc1C#CCN ZINC000037552144 171255261 /nfs/dbraw/zinc/25/52/61/171255261.db2.gz KUYKPOBFXLBCBR-JTQLQIEISA-N 0 3 248.301 2.121 10 30 BEEEHN CC[C@H](C)NCC(=O)Nc1cccc(F)c1C#N ZINC000037617052 171339047 /nfs/dbraw/zinc/33/90/47/171339047.db2.gz RZDDTHMXXWPZMY-VIFPVBQESA-N 0 3 249.289 2.024 10 30 BEEEHN CN(C)C(=O)N1C=Cc2ccccc2C1C#N ZINC000034077427 172376397 /nfs/dbraw/zinc/37/63/97/172376397.db2.gz DIHBQISMUSBLTK-LBPRGKRZSA-N 0 3 227.267 2.219 10 30 BEEEHN CN1CCCC[C@H]1CNc1cccc(C#N)c1 ZINC000054239875 173009989 /nfs/dbraw/zinc/00/99/89/173009989.db2.gz NKHWUZMXCSGGPS-AWEZNQCLSA-N 0 3 229.327 2.454 10 30 BEEEHN CN([C@@H]1CCCC[C@@H]1C#N)[C@H]1CCCN(C)C1 ZINC000053245301 173044699 /nfs/dbraw/zinc/04/46/99/173044699.db2.gz KDLLJGMRSMEIGX-HZSPNIEDSA-N 0 3 235.375 2.095 10 30 BEEEHN COc1ccc(NC(=N)c2ccncc2)cc1 ZINC000005733177 175049802 /nfs/dbraw/zinc/04/98/02/175049802.db2.gz IHSQITMFXQQHOU-UHFFFAOYSA-N 0 3 227.267 2.127 10 30 BEEEHN C[C@@H]1CC[C@@H](C#N)[C@H](N(C)C2CCN(C)CC2)C1 ZINC000047934889 176194547 /nfs/dbraw/zinc/19/45/47/176194547.db2.gz UZTFKNPHQOZHCI-VNHYZAJKSA-N 0 3 249.402 2.341 10 30 BEEEHN C[C@@H]1CN=C(NCc2cccc(F)c2)S1 ZINC000035295219 176322793 /nfs/dbraw/zinc/32/27/93/176322793.db2.gz REBPUZOHKVSFRZ-MRVPVSSYSA-N 0 3 224.304 2.407 10 30 BEEEHN C[C@H]1CCCN1Cc1ccc(F)cc1C#CCO ZINC000049615254 177110037 /nfs/dbraw/zinc/11/00/37/177110037.db2.gz LXRFCDIRERHNPR-LBPRGKRZSA-N 0 3 247.313 2.154 10 30 BEEEHN C[C@H]1CCCN1Cc1ccc(F)c(C#CCO)c1 ZINC000049615259 177110339 /nfs/dbraw/zinc/11/03/39/177110339.db2.gz YLCROKHAGBUBHO-LBPRGKRZSA-N 0 3 247.313 2.154 10 30 BEEEHN C[C@H]1CSC(NCc2ccc(C#N)cc2)=N1 ZINC000051354697 177303167 /nfs/dbraw/zinc/30/31/67/177303167.db2.gz ZZBAXRCVQVJYMM-VIFPVBQESA-N 0 3 231.324 2.139 10 30 BEEEHN C[C@H]1C[C@@H]1CN(C)Cc1cc(C#CCO)cs1 ZINC000104415279 177342582 /nfs/dbraw/zinc/34/25/82/177342582.db2.gz KCJMNVVCAFVGJN-WCQYABFASA-N 0 3 249.379 2.180 10 30 BEEEHN C[C@H]1C[C@H]1CN(C)Cc1cc(C#CCO)cs1 ZINC000104415285 177379261 /nfs/dbraw/zinc/37/92/61/177379261.db2.gz KCJMNVVCAFVGJN-AAEUAGOBSA-N 0 3 249.379 2.180 10 30 BEEEHN C=CCN(C)CCOCCOc1ccccc1 ZINC000121225841 324006938 /nfs/dbraw/zinc/00/69/38/324006938.db2.gz MWHOLZJUCDJOQC-UHFFFAOYSA-N 0 3 235.327 2.200 10 30 BEEEHN CC(C)(CCC#N)CN1CCN(C2CC2)CC1 ZINC000127961857 324796972 /nfs/dbraw/zinc/79/69/72/324796972.db2.gz UCIALELIUKLUMK-UHFFFAOYSA-N 0 3 235.375 2.096 10 30 BEEEHN C=CCCCC(=O)N(C)C[C@H]1CCCN1CC ZINC000176410614 534646439 /nfs/dbraw/zinc/64/64/39/534646439.db2.gz GFQZHIPWDCEIKP-CYBMUJFWSA-N 0 3 238.375 2.285 10 30 BEEEHN C[C@H]1CCCCN1Cc1cc(C#CCO)cs1 ZINC000043689786 582805710 /nfs/dbraw/zinc/80/57/10/582805710.db2.gz NARSRYHNSAFWMP-LBPRGKRZSA-N 0 3 249.379 2.466 10 30 BEEEHN CS[C@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000103329175 585098057 /nfs/dbraw/zinc/09/80/57/585098057.db2.gz OFGZIMRWFKSKLE-HTQZYQBOSA-N 0 3 240.353 2.379 10 30 BEEEHN CCN(CC)CC#C[C@@H](C)OC(=O)C1(C)CC1 ZINC000121646963 589523688 /nfs/dbraw/zinc/52/36/88/589523688.db2.gz NWLODLUQTBZQPK-GFCCVEGCSA-N 0 3 237.343 2.063 10 30 BEEEHN C=C(Br)CNCCSCC ZINC000129103364 591247511 /nfs/dbraw/zinc/24/75/11/591247511.db2.gz ATFUUUDJVSLQTH-UHFFFAOYSA-N 0 3 224.167 2.238 10 30 BEEEHN C#CCCC(=O)CCNCc1ccccc1 ZINC000685960289 538907642 /nfs/dbraw/zinc/90/76/42/538907642.db2.gz BZLMSGYCLHIDBW-UHFFFAOYSA-N 0 3 215.296 2.149 10 30 BEEEHN C[C@@H]1COCC[C@@H]1N[C@@H]1CCCC[C@@H]1C#N ZINC000300944186 349460237 /nfs/dbraw/zinc/46/02/37/349460237.db2.gz DVFHMRDZNWFPRH-FVCCEPFGSA-N 0 3 222.332 2.083 10 30 BEEEHN Cc1ccc(C#N)c(N[C@@H]2CCCN(C)C2)c1 ZINC000051579527 178365273 /nfs/dbraw/zinc/36/52/73/178365273.db2.gz AQBDFNKFLROOBV-CYBMUJFWSA-N 0 3 229.327 2.373 10 30 BEEEHN OCC[C@@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000051916418 539011783 /nfs/dbraw/zinc/01/17/83/539011783.db2.gz FHJXOTMDFKDARW-INIZCTEOSA-N 0 3 243.350 2.133 10 30 BEEEHN C#C[C@H](NCC)[C@@H]1CS[C@@H](C)[C@@H](C)S1 ZINC000233546375 342872180 /nfs/dbraw/zinc/87/21/80/342872180.db2.gz UJNADOJFVZNFBI-VLEAKVRGSA-N 0 3 229.414 2.223 10 30 BEEEHN Cc1cc(C#N)ccc1CN[C@@H]1CCO[C@@H]1C ZINC000165368077 342927299 /nfs/dbraw/zinc/92/72/99/342927299.db2.gz UZWAJFXRUHZOLZ-BXUZGUMPSA-N 0 3 230.311 2.134 10 30 BEEEHN C=C(C)CN(CC)C(=O)C1(N)CCCCC1 ZINC000019503749 187205954 /nfs/dbraw/zinc/20/59/54/187205954.db2.gz KEBDFBIPYQPUKR-UHFFFAOYSA-N 0 3 224.348 2.073 10 30 BEEEHN C#CCNCc1ccccc1C(F)(F)F ZINC000019875350 187217165 /nfs/dbraw/zinc/21/71/65/187217165.db2.gz YCRZRISQJJXHCN-UHFFFAOYSA-N 0 3 213.202 2.428 10 30 BEEEHN C[C@@H](C#N)Oc1ccc(Cl)cc1CN ZINC000043513361 343116604 /nfs/dbraw/zinc/11/66/04/343116604.db2.gz OOTRRAJOMRHPBF-ZETCQYMHSA-N 0 3 210.664 2.090 10 30 BEEEHN C=CCN1CCC[C@H](n2cc(C)cn2)C1 ZINC000105901175 136363934 /nfs/dbraw/zinc/36/39/34/136363934.db2.gz WIRADGHKJQPSFJ-LBPRGKRZSA-N 0 3 205.305 2.014 10 30 BEEEHN C=C(C)CN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105923408 136363994 /nfs/dbraw/zinc/36/39/94/136363994.db2.gz AAYFINYYXMWDHX-CYBMUJFWSA-N 0 3 219.332 2.405 10 30 BEEEHN C#CCN[C@@H](C)c1ccc(OC)c(COC)c1 ZINC000035660581 166191167 /nfs/dbraw/zinc/19/11/67/166191167.db2.gz UBXVPZAZXGHYEK-NSHDSACASA-N 0 3 233.311 2.125 10 30 BEEEHN C=C(Br)CN[C@H]1CC12CCOCC2 ZINC000307024293 343907723 /nfs/dbraw/zinc/90/77/23/343907723.db2.gz WASCQDIEJDEODN-VIFPVBQESA-N 0 3 246.148 2.054 10 30 BEEEHN C=C([C@@H](N)[C@@H]1CCCCO1)C(F)(F)F ZINC000307189624 343913330 /nfs/dbraw/zinc/91/33/30/343913330.db2.gz VGPQYRHZMODAOM-JGVFFNPUSA-N 0 3 209.211 2.001 10 30 BEEEHN C=C(Br)CN[C@H]1CC[C@@H]2C[C@@H]21 ZINC000307394042 343927406 /nfs/dbraw/zinc/92/74/06/343927406.db2.gz CMCLSZOSAMAIBH-VGMNWLOBSA-N 0 3 216.122 2.283 10 30 BEEEHN COCCCCCN[C@@H]1CCCC[C@@H]1C#N ZINC000234622271 344157083 /nfs/dbraw/zinc/15/70/83/344157083.db2.gz WFSJQRVBXVGSGG-CHWSQXEVSA-N 0 3 224.348 2.475 10 30 BEEEHN C[C@@H]1C[C@H](C)N(Cc2ccnc(C#N)c2)C1 ZINC000135512344 344506110 /nfs/dbraw/zinc/50/61/10/344506110.db2.gz IAQNWSMQZIGGCA-MNOVXSKESA-N 0 3 215.300 2.184 10 30 BEEEHN N#C[C@H]1CCCC[C@H]1NCCc1ccncc1 ZINC000054825561 344471675 /nfs/dbraw/zinc/47/16/75/344471675.db2.gz OWQGWGOGACJMAW-ZIAGYGMSSA-N 0 3 229.327 2.296 10 30 BEEEHN N#Cc1ccc(CN[C@@H]2CCC[C@H](O)C2)s1 ZINC000135497468 344488599 /nfs/dbraw/zinc/48/85/99/344488599.db2.gz KBSRQOYOLBYTKJ-ZJUUUORDSA-N 0 3 236.340 2.013 10 30 BEEEHN C=C(Br)CN[C@@H]1CCS[C@@H]1C ZINC000220694141 344568698 /nfs/dbraw/zinc/56/86/98/344568698.db2.gz JHUPTHAMOLLNNW-HTQZYQBOSA-N 0 3 236.178 2.379 10 30 BEEEHN C=C[C@H](N)c1coc(Br)c1 ZINC000238605053 345090102 /nfs/dbraw/zinc/09/01/02/345090102.db2.gz GBLNELJKHCYPOT-LURJTMIESA-N 0 3 202.051 2.228 10 30 BEEEHN C[C@H](C#N)Oc1cccc(Cl)c1CN ZINC000127456380 345186620 /nfs/dbraw/zinc/18/66/20/345186620.db2.gz OBMIWACDSGMWKG-SSDOTTSWSA-N 0 3 210.664 2.090 10 30 BEEEHN N#C[C@H]1CCCC[C@H]1NCC1CCOCC1 ZINC000082544521 345366227 /nfs/dbraw/zinc/36/62/27/345366227.db2.gz DYUWVUNSDMSZEN-CHWSQXEVSA-N 0 3 222.332 2.085 10 30 BEEEHN C=C(Cl)CN[C@H]1CCCCC[C@H]1O ZINC000164063095 345778282 /nfs/dbraw/zinc/77/82/82/345778282.db2.gz KTHMZQJFZLWALR-VHSXEESVSA-N 0 3 203.713 2.022 10 30 BEEEHN C[C@@H]1OCC[C@@H]1CN[C@@H]1CCCC[C@H]1C#N ZINC000300379927 345804932 /nfs/dbraw/zinc/80/49/32/345804932.db2.gz MCTPMZLHHMLRSU-WUHRBBMRSA-N 0 3 222.332 2.083 10 30 BEEEHN C=C(Cl)CN[C@@H]1CCCCC[C@H]1O ZINC000164062981 346588333 /nfs/dbraw/zinc/58/83/33/346588333.db2.gz KTHMZQJFZLWALR-NXEZZACHSA-N 0 3 203.713 2.022 10 30 BEEEHN Cc1cccc([C@@H](CN)N(CCC#N)C2CC2)c1 ZINC000042967567 179185454 /nfs/dbraw/zinc/18/54/54/179185454.db2.gz WQFSXOIAZVJBLQ-OAHLLOKOSA-N 0 3 243.354 2.373 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@H]2C[C@H]21 ZINC000382194669 347227500 /nfs/dbraw/zinc/22/75/00/347227500.db2.gz CVCULQPVWGKGII-WJTVCTBASA-N 0 3 204.317 2.457 10 30 BEEEHN COC1(CCN[C@@H]2CCC[C@@H]2C#N)CCC1 ZINC000310537574 347294162 /nfs/dbraw/zinc/29/41/62/347294162.db2.gz BCRFCWWLUGMBPN-VXGBXAGGSA-N 0 3 222.332 2.227 10 30 BEEEHN CC(C)(C)OCCCN[C@@H]1CCC[C@@H]1C#N ZINC000590959123 347594872 /nfs/dbraw/zinc/59/48/72/347594872.db2.gz GELJPAXXQFVXEG-VXGBXAGGSA-N 0 3 224.348 2.473 10 30 BEEEHN COCC1(CN[C@@H]2CCCC[C@H]2C#N)CCC1 ZINC000383478623 348748133 /nfs/dbraw/zinc/74/81/33/348748133.db2.gz AHIZVOKQSIBWLD-QWHCGFSZSA-N 0 3 236.359 2.475 10 30 BEEEHN Cc1ccc(CN2CCC[C@H](O)[C@H]2C)cc1C#N ZINC000599433365 349174221 /nfs/dbraw/zinc/17/42/21/349174221.db2.gz DWPRLGUYMMJKDL-DOMZBBRYSA-N 0 3 244.338 2.212 10 30 BEEEHN Cc1ccc(CN2C[C@H](C)C[C@@H](O)C2)cc1C#N ZINC000599434474 349174432 /nfs/dbraw/zinc/17/44/32/349174432.db2.gz BHCPPHZYEWFTOS-IAQYHMDHSA-N 0 3 244.338 2.069 10 30 BEEEHN OC[C@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC000365272656 350201206 /nfs/dbraw/zinc/20/12/06/350201206.db2.gz XVWAOMBEMIQLAO-INIZCTEOSA-N 0 3 243.350 2.133 10 30 BEEEHN CC(C)(C)[C@H](O)CN[C@@H]1CCCC[C@H]1C#N ZINC000324539909 350307252 /nfs/dbraw/zinc/30/72/52/350307252.db2.gz RMXODFOBJYQBBD-QJPTWQEYSA-N 0 3 224.348 2.065 10 30 BEEEHN CC(C#N)C(=O)c1cc(F)c(F)c(F)c1 ZINC000063007258 350379713 /nfs/dbraw/zinc/37/97/13/350379713.db2.gz RATKYDRHWUCBPT-YFKPBYRVSA-N 0 3 213.158 2.446 10 30 BEEEHN COCC1(CN[C@@H]2CCC[C@H]2C#N)CCC1 ZINC000336659262 350422976 /nfs/dbraw/zinc/42/29/76/350422976.db2.gz IZBYUXNWIGCQSG-NWDGAFQWSA-N 0 3 222.332 2.085 10 30 BEEEHN CC(C)(C)N1CCNC[C@H]1c1ccc(C#N)cc1 ZINC000616638558 351140343 /nfs/dbraw/zinc/14/03/43/351140343.db2.gz YACWDCHVPNRVQM-AWEZNQCLSA-N 0 3 243.354 2.303 10 30 BEEEHN CC(C)N1CCOC[C@H](c2cccc(C#N)c2)C1 ZINC000616658404 351204215 /nfs/dbraw/zinc/20/42/15/351204215.db2.gz DONRDZAAHARQJG-OAHLLOKOSA-N 0 3 244.338 2.382 10 30 BEEEHN CC(C)N1CCOC[C@H](c2ccccc2C#N)C1 ZINC000616659483 351207241 /nfs/dbraw/zinc/20/72/41/351207241.db2.gz KGUYISZWKAEZAM-CQSZACIVSA-N 0 3 244.338 2.382 10 30 BEEEHN CC#CC[C@H](N)c1coc(Br)c1 ZINC000306956825 351381097 /nfs/dbraw/zinc/38/10/97/351381097.db2.gz SCOPMLCMGMZWFG-QMMMGPOBSA-N 0 3 228.089 2.455 10 30 BEEEHN CC#CC[C@@H](N)c1ccoc1Br ZINC000232555651 353128040 /nfs/dbraw/zinc/12/80/40/353128040.db2.gz LXXPYRBIOXBTJU-MRVPVSSYSA-N 0 3 228.089 2.455 10 30 BEEEHN C=CCNC[C@H](O)c1cc(C)c(OC)cc1C ZINC000049827509 188046441 /nfs/dbraw/zinc/04/64/41/188046441.db2.gz JLDFEZKTOJOFGH-ZDUSSCGKSA-N 0 3 235.327 2.121 10 30 BEEEHN C=CCn1c(N)c(C2CCOCC2)nc1CC ZINC000103545036 188052171 /nfs/dbraw/zinc/05/21/71/188052171.db2.gz WDIRRCJNATZMQM-UHFFFAOYSA-N 0 3 235.331 2.108 10 30 BEEEHN C#CCCN[C@H](C)c1ccc(OC)c(OC)c1 ZINC000070073177 353253415 /nfs/dbraw/zinc/25/34/15/353253415.db2.gz OKQLWUQHZGFVGN-LLVKDONJSA-N 0 3 233.311 2.378 10 30 BEEEHN COCC1(CN[C@H]2CCCC[C@@H]2C#N)CCC1 ZINC000383478609 353334025 /nfs/dbraw/zinc/33/40/25/353334025.db2.gz AHIZVOKQSIBWLD-OLZOCXBDSA-N 0 3 236.359 2.475 10 30 BEEEHN CC(C)N(C)Cc1ccc(F)cc1C#CCO ZINC000049616533 188399725 /nfs/dbraw/zinc/39/97/25/188399725.db2.gz HEXVLZPMVLRNQF-UHFFFAOYSA-N 0 3 235.302 2.010 10 30 BEEEHN N#CC1(c2ccccc2Cl)CCNCC1 ZINC000000022416 181031739 /nfs/dbraw/zinc/03/17/39/181031739.db2.gz SEWOIAWELLOTCE-UHFFFAOYSA-N 0 3 220.703 2.485 10 30 BEEEHN N#CCCCN[C@@H]1CCOc2ccccc21 ZINC000049855903 181036590 /nfs/dbraw/zinc/03/65/90/181036590.db2.gz PMYOKHHTOPEXTP-GFCCVEGCSA-N 0 3 216.284 2.404 10 30 BEEEHN N#CC(Cc1ccccc1)C(=O)N1CCCCC1 ZINC000034428948 181063902 /nfs/dbraw/zinc/06/39/02/181063902.db2.gz JYAWJCHHTOMLCK-AWEZNQCLSA-N 0 3 242.322 2.381 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1NC1CCSCC1 ZINC000061891893 181059487 /nfs/dbraw/zinc/05/94/87/181059487.db2.gz MLGMXVKHBHOPBO-ONGXEEELSA-N 0 3 210.346 2.164 10 30 BEEEHN C=C(Br)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000232455013 363373237 /nfs/dbraw/zinc/37/32/37/363373237.db2.gz MNFLKXTXSATERT-ZJUUUORDSA-N 0 3 246.148 2.052 10 30 BEEEHN N#Cc1ccc(NC(=O)CNC2CCCC2)cc1 ZINC000037386868 181118550 /nfs/dbraw/zinc/11/85/50/181118550.db2.gz NJHWFUSURVHDQB-UHFFFAOYSA-N 0 3 243.310 2.029 10 30 BEEEHN N#CC1(CN2CCC3(C2)CCOCC3)CCC1 ZINC000334644988 354403822 /nfs/dbraw/zinc/40/38/22/354403822.db2.gz AKFBLDSGICNIRG-UHFFFAOYSA-N 0 3 234.343 2.183 10 30 BEEEHN N#Cc1ccccc1CN1CCCC[C@@H](CO)C1 ZINC000377952808 181145597 /nfs/dbraw/zinc/14/55/97/181145597.db2.gz OYIHFFAGHZDJIC-CYBMUJFWSA-N 0 3 244.338 2.153 10 30 BEEEHN COC(C)(C)CCN[C@@H]1CCC[C@H]1C#N ZINC000234561643 363424921 /nfs/dbraw/zinc/42/49/21/363424921.db2.gz GWBGEKMFSOLOEL-WDEREUQCSA-N 0 3 210.321 2.083 10 30 BEEEHN N#Cc1ncccc1CNC[C@@H]1CC=CCC1 ZINC000061658677 181170522 /nfs/dbraw/zinc/17/05/22/181170522.db2.gz LLMYROQJGHTECN-GFCCVEGCSA-N 0 3 227.311 2.399 10 30 BEEEHN C=CCCC(=O)Nc1cccc2c1CNCC2 ZINC000167380395 355986975 /nfs/dbraw/zinc/98/69/75/355986975.db2.gz NCYZBQNTFDMVHS-UHFFFAOYSA-N 0 3 230.311 2.237 10 30 BEEEHN C#C[C@H](NCC)[C@@H]1CS[C@H](C)[C@H](C)S1 ZINC000300031777 357174592 /nfs/dbraw/zinc/17/45/92/357174592.db2.gz UJNADOJFVZNFBI-RCWTZXSCSA-N 0 3 229.414 2.223 10 30 BEEEHN C=CCCCN1CCC[C@H](NC(=O)CCC)C1 ZINC000117877216 134221795 /nfs/dbraw/zinc/22/17/95/134221795.db2.gz PARFZZAZNUDPCV-ZDUSSCGKSA-N 0 3 238.375 2.333 10 30 BEEEHN C#C[C@H](N)c1cc(C)cc(Br)c1 ZINC000130175431 358670262 /nfs/dbraw/zinc/67/02/62/358670262.db2.gz GLAPYPUITQWJEJ-JTQLQIEISA-N 0 3 224.101 2.391 10 30 BEEEHN C#CCNCc1ccc(OC)c(Cl)c1 ZINC000045945344 359746304 /nfs/dbraw/zinc/74/63/04/359746304.db2.gz KFXWGZHSGCKAKX-UHFFFAOYSA-N 0 3 209.676 2.071 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCSC1 ZINC000231349603 359860793 /nfs/dbraw/zinc/86/07/93/359860793.db2.gz VOIAULJJOFSTIP-AXFHLTTASA-N 0 3 210.346 2.164 10 30 BEEEHN C[C@H]1C[C@]2(CO2)CN1Cc1ccccc1 ZINC000306598818 360518126 /nfs/dbraw/zinc/51/81/26/360518126.db2.gz YCVNBLNJZNUSFL-WCQYABFASA-N 0 3 203.285 2.050 10 30 BEEEHN N#Cc1ccc(OCCN2C[C@@H]3CCC[C@H]32)cc1 ZINC000435198407 201254598 /nfs/dbraw/zinc/25/45/98/201254598.db2.gz YHFUREAASMGSQR-DZGCQCFKSA-N 0 3 242.322 2.421 10 30 BEEEHN NCC#Cc1ccccc1COC1CCCC1 ZINC000049610331 181346897 /nfs/dbraw/zinc/34/68/97/181346897.db2.gz FGIBJAOPRHBFQN-UHFFFAOYSA-N 0 3 229.323 2.456 10 30 BEEEHN NCC#Cc1ccc(SC(F)F)cc1 ZINC000037470987 181346609 /nfs/dbraw/zinc/34/66/09/181346609.db2.gz ZBCCPZZUWBMBTJ-UHFFFAOYSA-N 0 3 213.252 2.312 10 30 BEEEHN CC(=N)Nc1ccc(C(F)(F)F)nc1 ZINC000214950390 364474082 /nfs/dbraw/zinc/47/40/82/364474082.db2.gz AQNAYUUPAAQYRA-UHFFFAOYSA-N 0 3 203.167 2.109 10 30 BEEEHN CCOC(=O)C(C=O)c1ccc(SC)cc1 ZINC000144099521 368412822 /nfs/dbraw/zinc/41/28/22/368412822.db2.gz JYZAPKXPFIWNLQ-LLVKDONJSA-N 0 3 238.308 2.254 10 30 BEEEHN O=CCC1CCN(Cc2ccccc2)CC1 ZINC000034077053 368408235 /nfs/dbraw/zinc/40/82/35/368408235.db2.gz MHGRPEADXUSKAT-UHFFFAOYSA-N 0 3 217.312 2.488 10 30 BEEEHN O=C[C@@H]1CCCN(Cc2cccs2)C1 ZINC000054219150 369061346 /nfs/dbraw/zinc/06/13/46/369061346.db2.gz PBJNQMKUMFMVDP-SNVBAGLBSA-N 0 3 209.314 2.159 10 30 BEEEHN CC[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000069891100 370993529 /nfs/dbraw/zinc/99/35/29/370993529.db2.gz NBUSJKBFWLUPOP-FDYHWXHSSA-N 0 3 222.332 2.226 10 30 BEEEHN CC1(C)C[C@H](N[C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000069891096 370993947 /nfs/dbraw/zinc/99/39/47/370993947.db2.gz CWCJTXBADYTXAU-IJLUTSLNSA-N 0 3 222.332 2.226 10 30 BEEEHN CCCN(CC)Cc1ccc(F)cc1C#CCO ZINC000049617336 169128895 /nfs/dbraw/zinc/12/88/95/169128895.db2.gz JMRXFCIRUYDWSD-UHFFFAOYSA-N 0 3 249.329 2.401 10 30 BEEEHN SCCC1CN(Cc2ccccc2)C1 ZINC000095079027 384355747 /nfs/dbraw/zinc/35/57/47/384355747.db2.gz YPJSFPCQTGKJNR-UHFFFAOYSA-N 0 3 207.342 2.438 10 30 BEEEHN C[C@H](N[C@@H]1CCC[C@H]1C#N)C1CCOCC1 ZINC000300364828 384698122 /nfs/dbraw/zinc/69/81/22/384698122.db2.gz HMWOCMYHGGFSFN-WCFLWFBJSA-N 0 3 222.332 2.083 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1NCC[C@H]1CCCCO1 ZINC000300368603 384704565 /nfs/dbraw/zinc/70/45/65/384704565.db2.gz RZEFRRHLRJVASI-XQQFMLRXSA-N 0 3 222.332 2.227 10 30 BEEEHN C=CCN1CCC[C@@H](n2cc(C)cn2)C1 ZINC000105901174 384885909 /nfs/dbraw/zinc/88/59/09/384885909.db2.gz WIRADGHKJQPSFJ-GFCCVEGCSA-N 0 3 205.305 2.014 10 30 BEEEHN C[C@@H]1C[C@H](CN[C@@H]2CCC[C@H]2C#N)CCO1 ZINC000309448418 385587772 /nfs/dbraw/zinc/58/77/72/385587772.db2.gz LXAYDMDGRQWWNJ-FVCCEPFGSA-N 0 3 222.332 2.083 10 30 BEEEHN C[C@H](N[C@@H]1CCC[C@@H]1C#N)[C@@H]1CCCOC1 ZINC000309589769 385721053 /nfs/dbraw/zinc/72/10/53/385721053.db2.gz ULSATMDYARTERU-UMSGYPCISA-N 0 3 222.332 2.083 10 30 BEEEHN C=C(Br)CN[C@@]1(C)C[C@H]1C ZINC000575575192 386990904 /nfs/dbraw/zinc/99/09/04/386990904.db2.gz DSCMWGXXWBGVGR-SVRRBLITSA-N 0 3 204.111 2.283 10 30 BEEEHN C=C(C)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000245200004 387943378 /nfs/dbraw/zinc/94/33/78/387943378.db2.gz GPJYEGPIWXHKEN-UPJWGTAASA-N 0 3 237.343 2.369 10 30 BEEEHN CC(C)(CCC#N)CN1CCN2CCCC[C@H]2C1 ZINC000245556745 387960086 /nfs/dbraw/zinc/96/00/86/387960086.db2.gz JHNREXGXKWCRPS-AWEZNQCLSA-N 0 3 249.402 2.486 10 30 BEEEHN C[C@H](NCc1cc(C#N)cs1)[C@H]1CCCO1 ZINC000086500182 256795195 /nfs/dbraw/zinc/79/51/95/256795195.db2.gz ZVGGUYGSNWJKLH-JOYOIKCWSA-N 0 3 236.340 2.277 10 30 BEEEHN C[C@H]1CC(CNCc2ccc(C#N)o2)C[C@H](C)O1 ZINC000282401545 388815964 /nfs/dbraw/zinc/81/59/64/388815964.db2.gz YPNCIAQBUOKFPQ-QWRGUYRKSA-N 0 3 248.326 2.444 10 30 BEEEHN C[C@@H]1CN(c2ccc(C#N)cc2Cl)CCN1 ZINC000062790635 132388825 /nfs/dbraw/zinc/38/88/25/132388825.db2.gz IKBGJXROSQJFKT-SECBINFHSA-N 0 3 235.718 2.010 10 30 BEEEHN C[C@@H]1CN(c2cccc(Cl)c2C#N)C[C@@H](C)N1 ZINC000070078801 132390949 /nfs/dbraw/zinc/39/09/49/132390949.db2.gz BRNYWFLTUIWMOS-NXEZZACHSA-N 0 3 249.745 2.398 10 30 BEEEHN C[C@H]1CN(c2cccc(Cl)c2C#N)C[C@H](C)N1 ZINC000070078800 132391116 /nfs/dbraw/zinc/39/11/16/132391116.db2.gz BRNYWFLTUIWMOS-UWVGGRQHSA-N 0 3 249.745 2.398 10 30 BEEEHN CC#CCN1CCC[C@H]1c1c(C)nn(C)c1C ZINC000119280853 134225858 /nfs/dbraw/zinc/22/58/58/134225858.db2.gz RXXTWJSSOIPXJS-ZDUSSCGKSA-N 0 3 231.343 2.197 10 30 BEEEHN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000185249769 134375550 /nfs/dbraw/zinc/37/55/50/134375550.db2.gz BLHCJVNCCVRKKL-QWHCGFSZSA-N 0 3 238.375 2.189 10 30 BEEEHN N#Cc1cccc(CN2CCC[C@@H]2CCCO)c1 ZINC000052759567 134710669 /nfs/dbraw/zinc/71/06/69/134710669.db2.gz HPCKQVOIRYFEPF-OAHLLOKOSA-N 0 3 244.338 2.295 10 30 BEEEHN CC#CCCN1[C@H](C(=O)OC)C[C@H]2CCCC[C@@H]21 ZINC000248398141 135005481 /nfs/dbraw/zinc/00/54/81/135005481.db2.gz SUCFPDAEIUGUTE-RDBSUJKOSA-N 0 3 249.354 2.206 10 30 BEEEHN N#Cc1csc(CN[C@@H]2CCCC[C@@H]2O)c1 ZINC000086500316 135088514 /nfs/dbraw/zinc/08/85/14/135088514.db2.gz DQYKDZUFEQAJIL-NEPJUHHUSA-N 0 3 236.340 2.013 10 30 BEEEHN N#Cc1ccc(N2CCCN(C3CC3)CC2)cc1 ZINC000195305897 398132780 /nfs/dbraw/zinc/13/27/80/398132780.db2.gz YQDPQSQDHWDRKK-UHFFFAOYSA-N 0 3 241.338 2.233 10 30 BEEEHN CC(C)N[C@@](C)(C#N)CCN1CCCCC1 ZINC000045179411 167137180 /nfs/dbraw/zinc/13/71/80/167137180.db2.gz PLMWGXHXCVFDLV-CYBMUJFWSA-N 0 3 223.364 2.143 10 30 BEEEHN C=CCN(C(=O)[C@H](CN)c1ccccc1)C(C)C ZINC000061612129 166311298 /nfs/dbraw/zinc/31/12/98/166311298.db2.gz SIMKRDUWMXOCPH-CQSZACIVSA-N 0 3 246.354 2.152 10 30 BEEEHN C=CCN(CC=C)Cc1ccc(N)cc1 ZINC000020071234 166334847 /nfs/dbraw/zinc/33/48/47/166334847.db2.gz FTJYLCVVNRUOER-UHFFFAOYSA-N 0 3 202.301 2.443 10 30 BEEEHN C=CCN(CC=C)c1ncccc1CNCC ZINC000051398929 166340063 /nfs/dbraw/zinc/34/00/63/166340063.db2.gz SKMXYNSXTSWZSX-UHFFFAOYSA-N 0 3 231.343 2.370 10 30 BEEEHN C=CCN1C[C@H](N)c2cc(Cl)ccc21 ZINC000039941582 166361862 /nfs/dbraw/zinc/36/18/62/166361862.db2.gz PZTVAEMSUMUMOW-JTQLQIEISA-N 0 3 208.692 2.346 10 30 BEEEHN C=CCNCCC(=O)c1ccc(Cl)c(N)c1 ZINC000098126484 166399099 /nfs/dbraw/zinc/39/90/99/166399099.db2.gz ZSDRXMJECHHLED-UHFFFAOYSA-N 0 3 238.718 2.271 10 30 BEEEHN CC(C)[C@@H](CN(C)C)NCc1ccccc1C#N ZINC000049216049 167394962 /nfs/dbraw/zinc/39/49/62/167394962.db2.gz JYGWSDMGVXVAAJ-OAHLLOKOSA-N 0 3 245.370 2.234 10 30 BEEEHN CC1CCC(CO)(N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000054829920 168156296 /nfs/dbraw/zinc/15/62/96/168156296.db2.gz GAIANRRMLGEFCQ-DKNRTOFZSA-N 0 3 236.359 2.209 10 30 BEEEHN CC1CCN(Cc2cccc(/C(N)=N/O)c2)CC1 ZINC000019479523 168183894 /nfs/dbraw/zinc/18/38/94/168183894.db2.gz YFMRXAUPDTUBPN-UHFFFAOYSA-N 0 3 247.342 2.013 10 30 BEEEHN CCN1CCO[C@H](c2ccc(C#N)cc2)CC1 ZINC000616687272 411415329 /nfs/dbraw/zinc/41/53/29/411415329.db2.gz RJZQXNNAEDOGBS-AWEZNQCLSA-N 0 3 230.311 2.342 10 30 BEEEHN CC[C@@H]1CC[C@@H](C#N)[C@H](N(C)CCN(C)C)C1 ZINC000104202045 171026810 /nfs/dbraw/zinc/02/68/10/171026810.db2.gz YUFJAFMVLNWGFF-HZSPNIEDSA-N 0 3 237.391 2.198 10 30 BEEEHN CC[C@@](C)(C=O)CN(C)CCc1ccccn1 ZINC000051176239 171164051 /nfs/dbraw/zinc/16/40/51/171164051.db2.gz RIPXCYIOJJGALM-CQSZACIVSA-N 0 3 234.343 2.171 10 30 BEEEHN CC[C@@](C)(O)CN[C@@H](C)c1ccc(C#N)s1 ZINC000127419210 171185300 /nfs/dbraw/zinc/18/53/00/171185300.db2.gz ITAPJENMOPQSCO-JOYOIKCWSA-N 0 3 238.356 2.431 10 30 BEEEHN CC[C@H](C#N)N1CCN(CCC(C)(C)C)CC1 ZINC000104053966 171218888 /nfs/dbraw/zinc/21/88/88/171218888.db2.gz HGAWTMJNXXXFMO-CYBMUJFWSA-N 0 3 237.391 2.342 10 30 BEEEHN CC[C@H](C)N(C)Cc1ccc(F)cc1C#CCO ZINC000049617220 171308588 /nfs/dbraw/zinc/30/85/88/171308588.db2.gz VCSQTSUIGNDWQC-LBPRGKRZSA-N 0 3 249.329 2.400 10 30 BEEEHN CC[C@H](C)OCc1ccc(F)cc1C#CCN ZINC000049611114 171355115 /nfs/dbraw/zinc/35/51/15/171355115.db2.gz LXKZUAXABDCRQY-NSHDSACASA-N 0 3 235.302 2.451 10 30 BEEEHN C=CCC1(NC(=O)[C@H](N)CCC)CCCC1 ZINC000662889308 412337305 /nfs/dbraw/zinc/33/73/05/412337305.db2.gz WJYUSLHBXQLSHZ-LLVKDONJSA-N 0 3 224.348 2.119 10 30 BEEEHN CN1CCCN(c2cccc(Cl)c2C#N)CC1 ZINC000048935650 173019473 /nfs/dbraw/zinc/01/94/73/173019473.db2.gz LGPHTHXAKIECFY-UHFFFAOYSA-N 0 3 249.745 2.354 10 30 BEEEHN COc1ccc(C#N)c(OCCN2CCCC2)c1 ZINC000011890497 175051348 /nfs/dbraw/zinc/05/13/48/175051348.db2.gz KKVGIEXJXYFZPK-UHFFFAOYSA-N 0 3 246.310 2.041 10 30 BEEEHN COc1ccc(C#CCN)cc1COCC(C)C ZINC000049610723 175051415 /nfs/dbraw/zinc/05/14/15/175051415.db2.gz MIJGHRJMLUHYDH-UHFFFAOYSA-N 0 3 247.338 2.178 10 30 BEEEHN COc1ccc(CN)c(OCCCCC#N)c1 ZINC000049578352 175096902 /nfs/dbraw/zinc/09/69/02/175096902.db2.gz UACGSHIYDOIVLA-UHFFFAOYSA-N 0 3 234.299 2.227 10 30 BEEEHN COc1ccccc1CNC1=NCCCS1 ZINC000034971940 175319549 /nfs/dbraw/zinc/31/95/49/175319549.db2.gz ZXVYDFFMXJOOFI-UHFFFAOYSA-N 0 3 236.340 2.278 10 30 BEEEHN C[C@@H](S)[C@H]1NCCc2ccc(F)cc21 ZINC000083664472 176007045 /nfs/dbraw/zinc/00/70/45/176007045.db2.gz BJHWKRRPRARMDG-RDDDGLTNSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@@H](S)[C@@H]1NCCc2cccc(F)c21 ZINC000083730142 176007582 /nfs/dbraw/zinc/00/75/82/176007582.db2.gz AUSBTWCUPHWKCT-HQJQHLMTSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@@H]1CCCN1Cc1cnc2ccc(C#N)cn12 ZINC000124326021 176110311 /nfs/dbraw/zinc/11/03/11/176110311.db2.gz SAQGSKZBUJUMPB-LLVKDONJSA-N 0 3 240.310 2.190 10 30 BEEEHN C[C@@H]1CC[C@H](C#N)[C@H](N(C)C2CCN(C)CC2)C1 ZINC000047934885 176219142 /nfs/dbraw/zinc/21/91/42/176219142.db2.gz UZTFKNPHQOZHCI-UMVBOHGHSA-N 0 3 249.402 2.341 10 30 BEEEHN C[C@H](NCc1ccc(F)c(C#N)c1)[C@H]1CCCO1 ZINC000136256641 176875702 /nfs/dbraw/zinc/87/57/02/176875702.db2.gz ATSNCYUKEMVCKA-IINYFYTJSA-N 0 3 248.301 2.354 10 30 BEEEHN C[C@H](S)[C@H]1NCCc2cccc(F)c21 ZINC000083730136 177025832 /nfs/dbraw/zinc/02/58/32/177025832.db2.gz AUSBTWCUPHWKCT-WRWORJQWSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@H](S)[C@@H]1NCCc2ccc(F)cc21 ZINC000083664473 177026024 /nfs/dbraw/zinc/02/60/24/177026024.db2.gz BJHWKRRPRARMDG-CPCISQLKSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@H]1CCN(Cc2ccc(F)c(C#CCO)c2)C1 ZINC000049613631 177163607 /nfs/dbraw/zinc/16/36/07/177163607.db2.gz CCDSIBPLVCNOLH-LBPRGKRZSA-N 0 3 247.313 2.011 10 30 BEEEHN C[C@H]1CCN(Cc2ccc(F)cc2C#CCO)C1 ZINC000049613628 177163791 /nfs/dbraw/zinc/16/37/91/177163791.db2.gz KWYJKDHUSGJGRG-LBPRGKRZSA-N 0 3 247.313 2.011 10 30 BEEEHN C[C@H]1C[C@H]1NCc1cc(C#N)ccc1F ZINC000052288175 177385219 /nfs/dbraw/zinc/38/52/19/177385219.db2.gz JLDCZBSZSWDSIQ-QPUJVOFHSA-N 0 3 204.248 2.195 10 30 BEEEHN CC(C)(C)OCCNCc1ccc(C#N)cc1 ZINC000122181105 324032671 /nfs/dbraw/zinc/03/26/71/324032671.db2.gz PGMXQQPTGYBZJR-UHFFFAOYSA-N 0 3 232.327 2.463 10 30 BEEEHN C=CCN1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000076007793 325324096 /nfs/dbraw/zinc/32/40/96/325324096.db2.gz FCQQHVXNADXAAT-NSHDSACASA-N 0 3 240.347 2.162 10 30 BEEEHN COC[C@H](C)NCC#Cc1cccc(Cl)c1 ZINC000309465300 487971239 /nfs/dbraw/zinc/97/12/39/487971239.db2.gz PCJMUZILKZBHFU-NSHDSACASA-N 0 3 237.730 2.316 10 30 BEEEHN C#CCNCc1csc2c1CCCC2 ZINC000085396225 518288642 /nfs/dbraw/zinc/28/86/42/518288642.db2.gz FQRJFMQOXWNHMK-UHFFFAOYSA-N 0 3 205.326 2.350 10 30 BEEEHN C=CCCCN(C)Cc1cccc(C(=O)NC)c1 ZINC000121072648 534708989 /nfs/dbraw/zinc/70/89/89/534708989.db2.gz ZAQZACRYGKQXIH-UHFFFAOYSA-N 0 3 246.354 2.444 10 30 BEEEHN CC[C@H](C)C(=O)O[C@@H](C)C#CCN(CC)CC ZINC000119418997 589282858 /nfs/dbraw/zinc/28/28/58/589282858.db2.gz YJOYGVIBLJVQIA-STQMWFEESA-N 0 3 239.359 2.309 10 30 BEEEHN N#CC(C(=O)[C@@H]1C[C@H]1C1CC1)c1ccccn1 ZINC000246059455 642381022 /nfs/dbraw/zinc/38/10/22/642381022.db2.gz AZHVKVSANIDIJG-TUAOUCFPSA-N 0 3 226.279 2.304 10 30 BEEEHN Cc1ccc([C@@H](C)NCCO[C@@H](C)C#N)o1 ZINC000304277019 644884774 /nfs/dbraw/zinc/88/47/74/644884774.db2.gz WQFLCVMBAIEOET-WDEREUQCSA-N 0 3 222.288 2.167 10 30 BEEEHN C[C@@H](CO)N(CCCC#N)Cc1ccccc1 ZINC000709914810 712232776 /nfs/dbraw/zinc/23/27/76/712232776.db2.gz XJHVJMDBBUCBKB-ZDUSSCGKSA-N 0 3 232.327 2.173 10 30 BEEEHN Cc1cc(NC[C@H]2CCCN2C)c(C#N)c(C)n1 ZINC000160542870 178170055 /nfs/dbraw/zinc/17/00/55/178170055.db2.gz GZYCIGCWRAPYEN-GFCCVEGCSA-N 0 3 244.342 2.076 10 30 BEEEHN C=CCOc1cccc2c1CCN(C)CC2 ZINC000028014263 187208081 /nfs/dbraw/zinc/20/80/81/187208081.db2.gz XVIIJWXMJCEFCS-UHFFFAOYSA-N 0 3 217.312 2.282 10 30 BEEEHN CCC(C#N)C(=O)c1sc(C)nc1C ZINC000233836522 343073670 /nfs/dbraw/zinc/07/36/70/343073670.db2.gz USBBVYJVIUSVKT-QMMMGPOBSA-N 0 3 208.286 2.492 10 30 BEEEHN Cc1ccccc1[C@H](C)NC(=O)C(C)C#N ZINC000044825688 343075565 /nfs/dbraw/zinc/07/55/65/343075565.db2.gz PZBSBWOONFFZNR-QWRGUYRKSA-N 0 3 216.284 2.332 10 30 BEEEHN Cc1ccccc1[C@H](C)NC(=O)C(C)C#N ZINC000044825690 343075673 /nfs/dbraw/zinc/07/56/73/343075673.db2.gz PZBSBWOONFFZNR-MNOVXSKESA-N 0 3 216.284 2.332 10 30 BEEEHN N#CCOc1c(Cl)cc(Cl)cc1CN ZINC000037711292 187260432 /nfs/dbraw/zinc/26/04/32/187260432.db2.gz ZIMRZZMANXRSPT-UHFFFAOYSA-N 0 3 231.082 2.354 10 30 BEEEHN CC[C@H](COC)N[C@H]1CCCC[C@H]1C#N ZINC000251099383 343561041 /nfs/dbraw/zinc/56/10/41/343561041.db2.gz QWSLRFXAJDPURM-TUAOUCFPSA-N 0 3 210.321 2.083 10 30 BEEEHN Cc1ccc(C)c(CN(C)C[C@@H](C)/C(N)=N/O)c1 ZINC000042458359 187265546 /nfs/dbraw/zinc/26/55/46/187265546.db2.gz MAKGJMXSTLDGAU-GFCCVEGCSA-N 0 3 249.358 2.118 10 30 BEEEHN COCC[C@H](C)N[C@@H]1CCCC[C@H]1C#N ZINC000251280329 343708490 /nfs/dbraw/zinc/70/84/90/343708490.db2.gz ZBOIJIVICOUBCT-SDDRHHMPSA-N 0 3 210.321 2.083 10 30 BEEEHN C=C(C)CN(CC)Cc1cc(CNC2CC2)no1 ZINC000052423383 187358704 /nfs/dbraw/zinc/35/87/04/187358704.db2.gz YDPCMZWIPSEOEX-UHFFFAOYSA-N 0 3 249.358 2.325 10 30 BEEEHN COCCCCCN[C@@H]1CCCC[C@H]1C#N ZINC000234622517 344157420 /nfs/dbraw/zinc/15/74/20/344157420.db2.gz WFSJQRVBXVGSGG-QWHCGFSZSA-N 0 3 224.348 2.475 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NCCc1cccnc1 ZINC000054825552 344471928 /nfs/dbraw/zinc/47/19/28/344471928.db2.gz FHCLCHXVTYIPHD-KBPBESRZSA-N 0 3 229.327 2.296 10 30 BEEEHN COCC(C)(C)CN[C@@H]1CCCC[C@H]1C#N ZINC000381060281 344475440 /nfs/dbraw/zinc/47/54/40/344475440.db2.gz KUSLBVKIPUFLJZ-NWDGAFQWSA-N 0 3 224.348 2.331 10 30 BEEEHN COCC(C)(C)CN[C@H]1CCCC[C@@H]1C#N ZINC000381060279 344475452 /nfs/dbraw/zinc/47/54/52/344475452.db2.gz KUSLBVKIPUFLJZ-NEPJUHHUSA-N 0 3 224.348 2.331 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)[C@@H]1CCOC1 ZINC000158523678 344670842 /nfs/dbraw/zinc/67/08/42/344670842.db2.gz NAIQZMJLGPNMQP-UMSGYPCISA-N 0 3 222.332 2.083 10 30 BEEEHN CCN(CCC#N)[C@H](CN)c1cccc(F)c1 ZINC000042972900 169816033 /nfs/dbraw/zinc/81/60/33/169816033.db2.gz XHPFPFOQDVXQKQ-CYBMUJFWSA-N 0 3 235.306 2.061 10 30 BEEEHN CC#CCCN1CCC[C@H](n2ccnc2CC)C1 ZINC000155557723 187296162 /nfs/dbraw/zinc/29/61/62/187296162.db2.gz TYKRZEJZLCZWFK-AWEZNQCLSA-N 0 3 245.370 2.496 10 30 BEEEHN N#C[C@H]1CCCC[C@@H]1NCC1CCOCC1 ZINC000082544520 345366555 /nfs/dbraw/zinc/36/65/55/345366555.db2.gz DYUWVUNSDMSZEN-OLZOCXBDSA-N 0 3 222.332 2.085 10 30 BEEEHN C=C(C)CN1C[C@H]2CCCCN2C[C@H]1C ZINC000161271230 346167407 /nfs/dbraw/zinc/16/74/07/346167407.db2.gz BKZNESRKDZOXPD-CHWSQXEVSA-N 0 3 208.349 2.121 10 30 BEEEHN Cc1cccc(CN(CC/C(N)=N/O)C(C)C)c1 ZINC000042529095 179072023 /nfs/dbraw/zinc/07/20/23/179072023.db2.gz WSTWJXWSICTWSU-UHFFFAOYSA-N 0 3 249.358 2.342 10 30 BEEEHN COC1(CN[C@H]2CCC[C@H]2C#N)CCCC1 ZINC000309558789 347101459 /nfs/dbraw/zinc/10/14/59/347101459.db2.gz KKFIQFLUDKTTBN-RYUDHWBXSA-N 0 3 222.332 2.227 10 30 BEEEHN [O-]/[N+](=C\c1ccncc1)Cc1ccccc1 ZINC000225442148 370653208 /nfs/dbraw/zinc/65/32/08/370653208.db2.gz UBQMVQFPQOBEHC-PTNGSMBKSA-N 0 3 213.260 2.102 10 30 BEEEHN COC1(CCN[C@H]2CCC[C@@H]2C#N)CCC1 ZINC000310537560 347293025 /nfs/dbraw/zinc/29/30/25/347293025.db2.gz BCRFCWWLUGMBPN-NEPJUHHUSA-N 0 3 222.332 2.227 10 30 BEEEHN Cc1cccc([C@H](CN)N(CCC#N)C2CC2)c1 ZINC000042967568 179199044 /nfs/dbraw/zinc/19/90/44/179199044.db2.gz WQFSXOIAZVJBLQ-HNNXBMFYSA-N 0 3 243.354 2.373 10 30 BEEEHN CC[C@](C)(CN[C@@H]1CCC[C@@H]1C#N)OC ZINC000322681232 347405814 /nfs/dbraw/zinc/40/58/14/347405814.db2.gz IEQIUIQZRZDTNE-IJLUTSLNSA-N 0 3 210.321 2.083 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[C@@H](O)C1 ZINC000300698663 347379113 /nfs/dbraw/zinc/37/91/13/347379113.db2.gz LNOPFKHBCDIRHN-FQUUOJAGSA-N 0 3 236.359 2.209 10 30 BEEEHN CO[C@H](CN[C@@H]1CCCC[C@H]1C#N)C1CCC1 ZINC000595689253 348314818 /nfs/dbraw/zinc/31/48/18/348314818.db2.gz KSWUBDBLXDPXIM-BFHYXJOUSA-N 0 3 236.359 2.473 10 30 BEEEHN Cc1ccc(CN2CCC[C@@H](O)[C@@H]2C)cc1C#N ZINC000599433367 349173889 /nfs/dbraw/zinc/17/38/89/349173889.db2.gz DWPRLGUYMMJKDL-SWLSCSKDSA-N 0 3 244.338 2.212 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NCCC[C@@H]1CCOC1 ZINC000402072203 349330601 /nfs/dbraw/zinc/33/06/01/349330601.db2.gz IITIKCLHMFZUHU-HZSPNIEDSA-N 0 3 236.359 2.475 10 30 BEEEHN CN1CCC(C#N)(Cc2ccccc2)CC1 ZINC000219248440 350118684 /nfs/dbraw/zinc/11/86/84/350118684.db2.gz VUYQRTKYOQRJIH-UHFFFAOYSA-N 0 3 214.312 2.465 10 30 BEEEHN CCN1CC[C@H](c2ccccc2C#N)C1 ZINC000616610865 350806996 /nfs/dbraw/zinc/80/69/96/350806996.db2.gz ZOFXTBYPJRAWAQ-LBPRGKRZSA-N 0 3 200.285 2.367 10 30 BEEEHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCCC[C@@H]1C#N ZINC000397974580 350995674 /nfs/dbraw/zinc/99/56/74/350995674.db2.gz OHIBDLQJRGQWAR-KKOKHZNYSA-N 0 3 224.373 2.410 10 30 BEEEHN N#Cc1ccc([C@H]2CCCCCN2CCO)cc1 ZINC000616622843 351087644 /nfs/dbraw/zinc/08/76/44/351087644.db2.gz IGVFMPGIGBVYAG-OAHLLOKOSA-N 0 3 244.338 2.468 10 30 BEEEHN N#Cc1csc(CN[C@H]2CCC[C@@H](O)C2)c1 ZINC000086500216 351165751 /nfs/dbraw/zinc/16/57/51/351165751.db2.gz BLHMKXIFNQDDGU-WDEREUQCSA-N 0 3 236.340 2.013 10 30 BEEEHN CNCC#Cc1ccccc1CSC ZINC000307039981 351437194 /nfs/dbraw/zinc/43/71/94/351437194.db2.gz HSQRKMKRVCYHFS-UHFFFAOYSA-N 0 3 205.326 2.121 10 30 BEEEHN N#Cc1cccc(CNC2=NCCCS2)c1 ZINC000051667908 187609923 /nfs/dbraw/zinc/60/99/23/187609923.db2.gz OWRQMITVUOLADD-UHFFFAOYSA-N 0 3 231.324 2.141 10 30 BEEEHN CC#CCOc1ccc(OC)cc1CNCC ZINC000051662303 188046438 /nfs/dbraw/zinc/04/64/38/188046438.db2.gz IXYNBDWBBAWKBZ-UHFFFAOYSA-N 0 3 233.311 2.207 10 30 BEEEHN N#Cc1ccc(CN2CCCC[C@H](CO)C2)cc1 ZINC000374034999 188248932 /nfs/dbraw/zinc/24/89/32/188248932.db2.gz BJVHFVVWWNOPDU-HNNXBMFYSA-N 0 3 244.338 2.153 10 30 BEEEHN ON=C1CCN(CCc2ccccc2)CC1 ZINC000019519618 188281921 /nfs/dbraw/zinc/28/19/21/188281921.db2.gz ZNSFRFSXKLKXFU-UHFFFAOYSA-N 0 3 218.300 2.155 10 30 BEEEHN COc1ccc(OCCCCC#N)c(CN)c1 ZINC000049578195 188298820 /nfs/dbraw/zinc/29/88/20/188298820.db2.gz HHJVKVOLOZKCKJ-UHFFFAOYSA-N 0 3 234.299 2.227 10 30 BEEEHN N#CCCCCOc1ccc([N+](=O)[O-])cc1CN ZINC000049578313 188298867 /nfs/dbraw/zinc/29/88/67/188298867.db2.gz GBMMTKFXDKUOMF-UHFFFAOYSA-N 0 3 249.270 2.126 10 30 BEEEHN C#C[C@H](N)c1ccc(Br)cc1C ZINC000130124651 353340038 /nfs/dbraw/zinc/34/00/38/353340038.db2.gz KQEBVXXZXQGLER-JTQLQIEISA-N 0 3 224.101 2.391 10 30 BEEEHN C#C[C@@H](N)c1cc(Br)ccc1C ZINC000130322297 353345665 /nfs/dbraw/zinc/34/56/65/353345665.db2.gz IMRNFKVKSDYBMT-SNVBAGLBSA-N 0 3 224.101 2.391 10 30 BEEEHN C#CCNCc1cccc(C(F)(F)F)c1 ZINC000019875353 188351850 /nfs/dbraw/zinc/35/18/50/188351850.db2.gz NQKBHSQGSDKAOA-UHFFFAOYSA-N 0 3 213.202 2.428 10 30 BEEEHN C[C@@H]1CC(CNCc2ccc(C#N)o2)C[C@@H](C)O1 ZINC000282401541 188384505 /nfs/dbraw/zinc/38/45/05/188384505.db2.gz YPNCIAQBUOKFPQ-GHMZBOCLSA-N 0 3 248.326 2.444 10 30 BEEEHN CC(C)COCc1ccc(F)cc1C#CCN ZINC000049610728 188399826 /nfs/dbraw/zinc/39/98/26/188399826.db2.gz HIBBTCYTCYMPQX-UHFFFAOYSA-N 0 3 235.302 2.309 10 30 BEEEHN C=CCNC[C@@H](O)c1cc(Cl)ccc1OC ZINC000049830784 188399962 /nfs/dbraw/zinc/39/99/62/188399962.db2.gz DHQRJNYXAOXPAP-LLVKDONJSA-N 0 3 241.718 2.158 10 30 BEEEHN C[C@H](NCC#Cc1ccc(F)cc1)[C@@H]1CCCO1 ZINC000183099958 353509952 /nfs/dbraw/zinc/50/99/52/353509952.db2.gz UXUHEFNHEOPUFZ-WFASDCNBSA-N 0 3 247.313 2.334 10 30 BEEEHN N#CC(C(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000050963782 181054642 /nfs/dbraw/zinc/05/46/42/181054642.db2.gz UZOKIGHKBLLSTN-OLZOCXBDSA-N 0 3 229.279 2.432 10 30 BEEEHN N#CC(Cc1ccccc1)C(=O)N1CCCCC1 ZINC000034428949 181055442 /nfs/dbraw/zinc/05/54/42/181055442.db2.gz JYAWJCHHTOMLCK-CQSZACIVSA-N 0 3 242.322 2.381 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1NC1CCSCC1 ZINC000061891891 181059934 /nfs/dbraw/zinc/05/99/34/181059934.db2.gz MLGMXVKHBHOPBO-GXSJLCMTSA-N 0 3 210.346 2.164 10 30 BEEEHN N#CC(C(=O)[C@@H]1CCCCO1)c1ccccc1 ZINC000050963784 181062846 /nfs/dbraw/zinc/06/28/46/181062846.db2.gz UZOKIGHKBLLSTN-STQMWFEESA-N 0 3 229.279 2.432 10 30 BEEEHN N#C[C@H]1CCCCC[C@H]1NC1(CO)CCCC1 ZINC000054829844 181067325 /nfs/dbraw/zinc/06/73/25/181067325.db2.gz RRLCEWRXMDBXEC-CHWSQXEVSA-N 0 3 236.359 2.354 10 30 BEEEHN N#Cc1ccccc1Nc1ccncc1N ZINC000020585510 181149317 /nfs/dbraw/zinc/14/93/17/181149317.db2.gz CXFZCGOZGICBPK-UHFFFAOYSA-N 0 3 210.240 2.279 10 30 BEEEHN C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1CCC#N ZINC000346711009 355102558 /nfs/dbraw/zinc/10/25/58/355102558.db2.gz XODQRVSHNJIQCG-MCIONIFRSA-N 0 3 236.359 2.306 10 30 BEEEHN N=C(CS)Nc1cccc(Cl)c1 ZINC000147264414 181183464 /nfs/dbraw/zinc/18/34/64/181183464.db2.gz NWNZKEFDCWVVCW-UHFFFAOYSA-N 0 3 200.694 2.259 10 30 BEEEHN CC(C#N)C(=O)N1CCCC[C@@H]1c1nccs1 ZINC000336030936 134058120 /nfs/dbraw/zinc/05/81/20/134058120.db2.gz WQWXDDCSQWJCGY-NXEZZACHSA-N 0 3 249.339 2.356 10 30 BEEEHN N#Cc1ccc(CN2CCCC[C@@H](CO)C2)cc1 ZINC000374035008 192015187 /nfs/dbraw/zinc/01/51/87/192015187.db2.gz BJVHFVVWWNOPDU-OAHLLOKOSA-N 0 3 244.338 2.153 10 30 BEEEHN CC(C)N(Cc1nn(C)cc1CC#N)C(C)C ZINC000675056870 538478723 /nfs/dbraw/zinc/47/87/23/538478723.db2.gz XSGCAZKPCHEAET-UHFFFAOYSA-N 0 3 234.347 2.105 10 30 BEEEHN C=CCNC(=O)[C@@H](C)N[C@H](C)c1cccs1 ZINC000035139667 134161647 /nfs/dbraw/zinc/16/16/47/134161647.db2.gz GCKPNSKLOOFPJO-NXEZZACHSA-N 0 3 238.356 2.089 10 30 BEEEHN C[C@@H]1C[C@H](CN[C@H]2CCCC[C@@H]2C#N)CCO1 ZINC000388655091 357094931 /nfs/dbraw/zinc/09/49/31/357094931.db2.gz FJVKRGLYJBPRRE-SYQHCUMBSA-N 0 3 236.359 2.473 10 30 BEEEHN N/C(=N\O)[C@@H]1CCCCN1CCC1CCCC1 ZINC000301809767 358436314 /nfs/dbraw/zinc/43/63/14/358436314.db2.gz LSPWHIOCMUWMMR-LBPRGKRZSA-N 0 3 239.363 2.168 10 30 BEEEHN C#C[C@H](N)c1ccc(C)c(Br)c1 ZINC000130169893 358569415 /nfs/dbraw/zinc/56/94/15/358569415.db2.gz AZQWIBUXDNLSHL-JTQLQIEISA-N 0 3 224.101 2.391 10 30 BEEEHN N#CCCCCN1CCO[C@@H]2CCCC[C@@H]21 ZINC000043425435 358538091 /nfs/dbraw/zinc/53/80/91/358538091.db2.gz RWGUZYXRMIJPLC-QWHCGFSZSA-N 0 3 222.332 2.324 10 30 BEEEHN C=CCOc1ccccc1CNCC1(O)CCC1 ZINC000134517463 358793983 /nfs/dbraw/zinc/79/39/83/358793983.db2.gz FNSFWQSKCATBIQ-UHFFFAOYSA-N 0 3 247.338 2.256 10 30 BEEEHN C=C(C)[C@H](CO)N[C@@H](C)c1cccs1 ZINC000308562172 491137070 /nfs/dbraw/zinc/13/70/70/491137070.db2.gz FXNIUWYGLKCVOE-UWVGGRQHSA-N 0 3 211.330 2.336 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1N[C@H]1CCSC1 ZINC000299970583 358957995 /nfs/dbraw/zinc/95/79/95/358957995.db2.gz VOIAULJJOFSTIP-GARJFASQSA-N 0 3 210.346 2.164 10 30 BEEEHN C[C@@H]1N(Cc2ccccc2)CC[C@]12CO2 ZINC000306196707 359025125 /nfs/dbraw/zinc/02/51/25/359025125.db2.gz LBISXHXPNOWRKD-AAEUAGOBSA-N 0 3 203.285 2.050 10 30 BEEEHN C#C[C@@H](N)c1ccc(Br)c(F)c1 ZINC000130308280 359338764 /nfs/dbraw/zinc/33/87/64/359338764.db2.gz RTXRHLKGPGGHIN-SECBINFHSA-N 0 3 228.064 2.221 10 30 BEEEHN C#CC[C@@H](N)c1cc(Br)oc1C ZINC000306622400 361234856 /nfs/dbraw/zinc/23/48/56/361234856.db2.gz WKFTTWKLNOPSTM-MRVPVSSYSA-N 0 3 228.089 2.374 10 30 BEEEHN NCC#Cc1cc(Cl)ccc1Cl ZINC000037470985 181346606 /nfs/dbraw/zinc/34/66/06/181346606.db2.gz FEIRJBQFXPYQEX-UHFFFAOYSA-N 0 3 200.068 2.304 10 30 BEEEHN C=C(C)[C@@H]1c2cc(N)ccc2CCN1C ZINC000038235398 364262336 /nfs/dbraw/zinc/26/23/36/364262336.db2.gz PDVBCMCLMMIEQI-CYBMUJFWSA-N 0 3 202.301 2.374 10 30 BEEEHN C=C(Cl)CN1C[C@H]2CCCN2C[C@@H]1CC ZINC000136079176 364456077 /nfs/dbraw/zinc/45/60/77/364456077.db2.gz MXBYKDOGNVIMKA-NWDGAFQWSA-N 0 3 228.767 2.298 10 30 BEEEHN CC[C@@H]1CCCCCN1C(=O)C(C)C#N ZINC000134805582 364413957 /nfs/dbraw/zinc/41/39/57/364413957.db2.gz XBCMHUUXVRYLOD-WDEREUQCSA-N 0 3 208.305 2.327 10 30 BEEEHN C=C1CCN(Cc2ccccc2)[C@H](CO)C1 ZINC000114151982 368927001 /nfs/dbraw/zinc/92/70/01/368927001.db2.gz RIVIVBOYCOXKID-AWEZNQCLSA-N 0 3 217.312 2.200 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NC[C@H]1CCCOC1 ZINC000251078040 369650884 /nfs/dbraw/zinc/65/08/84/369650884.db2.gz GOLAIMCTPBTUOD-AGIUHOORSA-N 0 3 222.332 2.085 10 30 BEEEHN N#C[C@H]1CCC[C@@H]1NCC1CCSCC1 ZINC000162462447 371691082 /nfs/dbraw/zinc/69/10/82/371691082.db2.gz XAVGQCPEXGEIHG-NEPJUHHUSA-N 0 3 224.373 2.411 10 30 BEEEHN C=CCC[C@H](N)c1cccc2c1OCCO2 ZINC000163377171 371984451 /nfs/dbraw/zinc/98/44/51/371984451.db2.gz DOVXTTBVKYSTJF-NSHDSACASA-N 0 3 219.284 2.424 10 30 BEEEHN C#CCC[C@@H](N)c1ncccc1Br ZINC000133207746 372006193 /nfs/dbraw/zinc/00/61/93/372006193.db2.gz ABDVCVROPNLROS-SECBINFHSA-N 0 3 239.116 2.257 10 30 BEEEHN CCCN(C)Cc1ccc(C#CCCO)cc1F ZINC000049617718 169079763 /nfs/dbraw/zinc/07/97/63/169079763.db2.gz VQLKJBDTRBBDRT-UHFFFAOYSA-N 0 3 249.329 2.401 10 30 BEEEHN CCCNC(=NN)[C@@H]1CCCc2ccccc21 ZINC000054669722 169183965 /nfs/dbraw/zinc/18/39/65/169183965.db2.gz VIPXZDVKOHJBEA-CYBMUJFWSA-N 0 3 231.343 2.378 10 30 BEEEHN CCCN1CCC(C#N)(NC2CCCC2)CC1 ZINC000037968394 169187593 /nfs/dbraw/zinc/18/75/93/169187593.db2.gz GVPXPFXRQOBQHX-UHFFFAOYSA-N 0 3 235.375 2.287 10 30 BEEEHN CCC[C@H]1C[C@H]1NCc1ccc(C#N)o1 ZINC000165060858 384372795 /nfs/dbraw/zinc/37/27/95/384372795.db2.gz IECFZRJJBQGYAR-JOYOIKCWSA-N 0 3 204.273 2.429 10 30 BEEEHN CCc1nccn1[C@@H]1CCCN(CCCC#N)C1 ZINC000105896891 384888994 /nfs/dbraw/zinc/88/89/94/384888994.db2.gz QWBPTNYTEHZMDX-CYBMUJFWSA-N 0 3 246.358 2.386 10 30 BEEEHN C=C(C)CN1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000105919784 384893590 /nfs/dbraw/zinc/89/35/90/384893590.db2.gz ZMKOBRDQBOHOCP-CQSZACIVSA-N 0 3 248.374 2.183 10 30 BEEEHN CC#CCCN1CCCC[C@@H]1c1cn[nH]c1 ZINC000156637482 384897771 /nfs/dbraw/zinc/89/77/71/384897771.db2.gz UYMLPFJONAWJIG-CYBMUJFWSA-N 0 3 217.316 2.350 10 30 BEEEHN CCCN(C)Cc1cnc2ccc(C#N)cn12 ZINC000127540098 385247102 /nfs/dbraw/zinc/24/71/02/385247102.db2.gz SCELSAXQBGYLRQ-UHFFFAOYSA-N 0 3 228.299 2.048 10 30 BEEEHN C[C@@H]1C[C@](C#N)(NCc2ccccc2)CCN1C ZINC000156443690 385277953 /nfs/dbraw/zinc/27/79/53/385277953.db2.gz MCNUUXNXPPCDSP-UKRRQHHQSA-N 0 3 243.354 2.153 10 30 BEEEHN C=CCN[C@H]1c2ccccc2CC[C@H]1CO ZINC000309528024 385665281 /nfs/dbraw/zinc/66/52/81/385665281.db2.gz BGJBZIMVHYJZIL-GXTWGEPZSA-N 0 3 217.312 2.058 10 30 BEEEHN CC(C)OC1CC(N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000309589062 385718698 /nfs/dbraw/zinc/71/86/98/385718698.db2.gz UBNRFNGYHGRJLY-IKWCTNDRSA-N 0 3 222.332 2.224 10 30 BEEEHN C=CC[C@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000116926598 385803973 /nfs/dbraw/zinc/80/39/73/385803973.db2.gz XSWAJLXQFRJFER-VIFPVBQESA-N 0 3 206.289 2.150 10 30 BEEEHN CC(C)[C@@H]1OCC[C@H]1CNCc1ccc(C#N)o1 ZINC000267263909 386310444 /nfs/dbraw/zinc/31/04/44/386310444.db2.gz KWINLMINMJGJSH-FZMZJTMJSA-N 0 3 248.326 2.302 10 30 BEEEHN C=C(Br)CN[C@]1(C)C[C@H]1C ZINC000575575190 386991158 /nfs/dbraw/zinc/99/11/58/386991158.db2.gz DSCMWGXXWBGVGR-HTRCEHHLSA-N 0 3 204.111 2.283 10 30 BEEEHN C=CCN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000195516289 387922208 /nfs/dbraw/zinc/92/22/08/387922208.db2.gz GWQANWQYCUULNG-CYBMUJFWSA-N 0 3 231.343 2.310 10 30 BEEEHN N#CCCCN1CC[C@H](CNc2ccccn2)C1 ZINC000195515804 387923248 /nfs/dbraw/zinc/92/32/48/387923248.db2.gz XWGPZBZHGRMUBM-CYBMUJFWSA-N 0 3 244.342 2.119 10 30 BEEEHN N#CCCCN1CC[C@@H](CNc2ccccn2)C1 ZINC000195515803 387923557 /nfs/dbraw/zinc/92/35/57/387923557.db2.gz XWGPZBZHGRMUBM-ZDUSSCGKSA-N 0 3 244.342 2.119 10 30 BEEEHN C#CCN[C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180672555 322828009 /nfs/dbraw/zinc/82/80/09/322828009.db2.gz LJAUCTNBNKITGM-GFCCVEGCSA-N 0 3 225.295 2.156 10 30 BEEEHN C=CCN=C1NSc2ccccc2N1C ZINC000095935269 132241562 /nfs/dbraw/zinc/24/15/62/132241562.db2.gz GYOPMSPDMWBPHW-UHFFFAOYSA-N 0 3 219.313 2.275 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1NC[C@@H]1CCSC1 ZINC000224419549 134347360 /nfs/dbraw/zinc/34/73/60/134347360.db2.gz YCLPGHRMNNPPHF-GARJFASQSA-N 0 3 210.346 2.021 10 30 BEEEHN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCN(CC)C1 ZINC000248603701 135016245 /nfs/dbraw/zinc/01/62/45/135016245.db2.gz BLHCJVNCCVRKKL-OLZOCXBDSA-N 0 3 238.375 2.189 10 30 BEEEHN CC(C)C1(NC[C@@H](C#N)CCC#N)CC1 ZINC000339510611 135074865 /nfs/dbraw/zinc/07/48/65/135074865.db2.gz VUCWIOGSOXLIQH-LLVKDONJSA-N 0 3 205.305 2.208 10 30 BEEEHN COC1CCC(N[C@H]2CCC[C@H]2C#N)CC1 ZINC000164258371 135218030 /nfs/dbraw/zinc/21/80/30/135218030.db2.gz DNZXOTKNKSLQTP-WTIISPKJSA-N 0 3 222.332 2.226 10 30 BEEEHN CC(C)NCC#Cc1occc1Br ZINC000575468358 397951321 /nfs/dbraw/zinc/95/13/21/397951321.db2.gz KJPKHVBEFYMCIJ-UHFFFAOYSA-N 0 3 242.116 2.392 10 30 BEEEHN CC[C@H](COC)N[C@H]1CCCC[C@@H]1C#N ZINC000070625485 410509465 /nfs/dbraw/zinc/50/94/65/410509465.db2.gz QWSLRFXAJDPURM-UTUOFQBUSA-N 0 3 210.321 2.083 10 30 BEEEHN C#CCN[C@H](C)c1ccc(OCC)cc1 ZINC000019875550 166192374 /nfs/dbraw/zinc/19/23/74/166192374.db2.gz ZGXNGYRYCKPNRK-LLVKDONJSA-N 0 3 203.285 2.369 10 30 BEEEHN C=CCCOc1ccc(CNC(C)(C)C)nn1 ZINC000051522896 166276249 /nfs/dbraw/zinc/27/62/49/166276249.db2.gz IURKIBLAWGPLPL-UHFFFAOYSA-N 0 3 235.331 2.320 10 30 BEEEHN C=CCN(C(=O)[C@@H](N)CCCC)C1CCCC1 ZINC000037817694 166310369 /nfs/dbraw/zinc/31/03/69/166310369.db2.gz IKSCGNUJFADONN-ZDUSSCGKSA-N 0 3 238.375 2.461 10 30 BEEEHN C=CCN(C(=O)[C@@H]1CCCCN1)C1CCCC1 ZINC000037817631 166310872 /nfs/dbraw/zinc/31/08/72/166310872.db2.gz AVCUDIXXVYMYDV-ZDUSSCGKSA-N 0 3 236.359 2.086 10 30 BEEEHN C=CCN(C(=O)[C@](C)(N)C1CC1)C1CCCC1 ZINC000037817704 166313015 /nfs/dbraw/zinc/31/30/15/166313015.db2.gz MIKGPXZGTJBVCR-CQSZACIVSA-N 0 3 236.359 2.071 10 30 BEEEHN C=CCN1c2ccc(OCC)cc2N2CCN=C12 ZINC000005327627 166352790 /nfs/dbraw/zinc/35/27/90/166352790.db2.gz FYLGDRVNFFNCNH-UHFFFAOYSA-N 0 3 243.310 2.267 10 30 BEEEHN CC1CCN(Cc2ccccc2C#CCO)CC1 ZINC000049615536 168184716 /nfs/dbraw/zinc/18/47/16/168184716.db2.gz BJBPTCYKKVWAPV-UHFFFAOYSA-N 0 3 243.350 2.262 10 30 BEEEHN CCN1CC[C@H](Nc2cccc(F)c2C#N)C1 ZINC000328221977 170022243 /nfs/dbraw/zinc/02/22/43/170022243.db2.gz YTVNHYFPKVBTDG-JTQLQIEISA-N 0 3 233.290 2.203 10 30 BEEEHN C=CCC1(NCc2nnnn2C(C)C)CCCC1 ZINC000661849650 411900441 /nfs/dbraw/zinc/90/04/41/411900441.db2.gz YCLPAPPEEQBUTG-UHFFFAOYSA-N 0 3 249.362 2.233 10 30 BEEEHN CC[C@H](CC#N)N1CCN([C@@H](C)CC)CC1 ZINC000055066406 171319323 /nfs/dbraw/zinc/31/93/23/171319323.db2.gz YSXLTMCFTMJPFA-QWHCGFSZSA-N 0 3 223.364 2.095 10 30 BEEEHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@H](N)CCC ZINC000662842392 412318696 /nfs/dbraw/zinc/31/86/96/412318696.db2.gz NUWQQAHFJOFJRM-JHJVBQTASA-N 0 3 238.375 2.365 10 30 BEEEHN COCCCN(C)[C@@H]1C[C@H](C)CC[C@@H]1C#N ZINC000062031464 174221310 /nfs/dbraw/zinc/22/13/10/174221310.db2.gz KKAQJFIZMAPTQV-JHJVBQTASA-N 0 3 224.348 2.283 10 30 BEEEHN COCCN([C@H](C)C1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000042616472 174302238 /nfs/dbraw/zinc/30/22/38/174302238.db2.gz MJCCGZGQMLPVOM-MRVWCRGKSA-N 0 3 236.359 2.426 10 30 BEEEHN COc1ccc(COCC(C)C)cc1C#CCN ZINC000049610724 175113711 /nfs/dbraw/zinc/11/37/11/175113711.db2.gz FLYDFUJSBIEMCB-UHFFFAOYSA-N 0 3 247.338 2.178 10 30 BEEEHN COc1cccc(CN)c1OCCCCC#N ZINC000049578304 175256795 /nfs/dbraw/zinc/25/67/95/175256795.db2.gz XTVBFMMZVKZCPW-UHFFFAOYSA-N 0 3 234.299 2.227 10 30 BEEEHN COc1ccccc1CNC1=NC[C@@H](C)S1 ZINC000020354388 175319917 /nfs/dbraw/zinc/31/99/17/175319917.db2.gz DRVLZDPLYNXSCK-SECBINFHSA-N 0 3 236.340 2.276 10 30 BEEEHN C[C@H](N)c1ccc(F)cc1O[C@@H](C)C#N ZINC000062745276 175598465 /nfs/dbraw/zinc/59/84/65/175598465.db2.gz XEJNHWIOYAUPNS-YUMQZZPRSA-N 0 3 208.236 2.136 10 30 BEEEHN C[C@@H](S)[C@H]1NCCc2cccc(F)c21 ZINC000083730138 176007639 /nfs/dbraw/zinc/00/76/39/176007639.db2.gz AUSBTWCUPHWKCT-RDDDGLTNSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@@H](S)[C@H]1NCCc2cc(F)ccc21 ZINC000083730147 176007677 /nfs/dbraw/zinc/00/76/77/176007677.db2.gz VFEKTNILLSXDIX-RDDDGLTNSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@@H]1CCN(Cc2ccc(C#CCO)cc2F)C1 ZINC000049613620 176174014 /nfs/dbraw/zinc/17/40/14/176174014.db2.gz OMJVQWQKDSNCTH-GFCCVEGCSA-N 0 3 247.313 2.011 10 30 BEEEHN C[C@@H]1CN=C(NCc2cccs2)S1 ZINC000035295323 176323183 /nfs/dbraw/zinc/32/31/83/176323183.db2.gz YYDJMSLCDTUPKW-SSDOTTSWSA-N 0 3 212.343 2.329 10 30 BEEEHN C[C@@H]1CSC(NCc2ccc(C#N)cc2)=N1 ZINC000051354696 176349449 /nfs/dbraw/zinc/34/94/49/176349449.db2.gz ZZBAXRCVQVJYMM-SECBINFHSA-N 0 3 231.324 2.139 10 30 BEEEHN C[C@H](O)C[C@H]1CCCN1CC#Cc1ccccc1 ZINC000124076722 177002302 /nfs/dbraw/zinc/00/23/02/177002302.db2.gz VHTRFYNUVZSXBU-GOEBONIOSA-N 0 3 243.350 2.273 10 30 BEEEHN C[C@H]1CSC(NCc2cccc(C#N)c2)=N1 ZINC000051667927 177302843 /nfs/dbraw/zinc/30/28/43/177302843.db2.gz OZPPVCKNRGQSRT-VIFPVBQESA-N 0 3 231.324 2.139 10 30 BEEEHN C=CCCC[C@H](C)NC(=O)[C@@](C)(N)CCC ZINC000262167476 534760201 /nfs/dbraw/zinc/76/02/01/534760201.db2.gz WGFIUHWAUDNKEJ-AAEUAGOBSA-N 0 3 226.364 2.365 10 30 BEEEHN C#CCNCCSCc1occc1C ZINC000757163921 582545678 /nfs/dbraw/zinc/54/56/78/582545678.db2.gz FQUIXANNWUCIOX-UHFFFAOYSA-N 0 3 209.314 2.044 10 30 BEEEHN C[C@@H]1CCCN(Cc2cc(C#CCO)cs2)C1 ZINC000043692274 582805600 /nfs/dbraw/zinc/80/56/00/582805600.db2.gz CHIFYIDEVCDWFH-GFCCVEGCSA-N 0 3 249.379 2.324 10 30 BEEEHN CCCCO[C@@H](C)C(=O)C(C#N)c1ccccn1 ZINC000103638048 586171820 /nfs/dbraw/zinc/17/18/20/586171820.db2.gz WXULZUOKIMJQCU-RYUDHWBXSA-N 0 3 246.310 2.463 10 30 BEEEHN CCCCC(=O)O[C@H](C)C#CCN(CC)CC ZINC000119433038 589283696 /nfs/dbraw/zinc/28/36/96/589283696.db2.gz KCDGTGKQPLBPII-CYBMUJFWSA-N 0 3 239.359 2.454 10 30 BEEEHN C#CCN(C)[C@H]1C[C@H](OCC)C12CCCC2 ZINC000121211755 589517742 /nfs/dbraw/zinc/51/77/42/589517742.db2.gz LGNARJBLENGEFE-STQMWFEESA-N 0 3 221.344 2.289 10 30 BEEEHN C#CCN(C)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000121211581 589517953 /nfs/dbraw/zinc/51/79/53/589517953.db2.gz LGNARJBLENGEFE-QWHCGFSZSA-N 0 3 221.344 2.289 10 30 BEEEHN CCN(CC)CC#C[C@H](C)OC(=O)CC(C)C ZINC000121605461 589520549 /nfs/dbraw/zinc/52/05/49/589520549.db2.gz LVPSWRZAXYSBDT-ZDUSSCGKSA-N 0 3 239.359 2.309 10 30 BEEEHN CC(C)CN(CCC#N)C[C@H]1CCC[C@@H](O)C1 ZINC000310196980 634085745 /nfs/dbraw/zinc/08/57/45/634085745.db2.gz ZXHSBRCLFPECBM-UONOGXRCSA-N 0 3 238.375 2.409 10 30 BEEEHN C=CCNCc1cccc2c1OCCCO2 ZINC000036167399 1170197728 /nfs/dbraw/zinc/19/77/28/1170197728.db2.gz GNMMPHGRSIEGSP-UHFFFAOYSA-N 0 3 219.284 2.124 10 30 BEEEHN CC#CCC(=O)CCNCc1ccccc1 ZINC000685960270 538907481 /nfs/dbraw/zinc/90/74/81/538907481.db2.gz BGVUTAOJHYAOLR-UHFFFAOYSA-N 0 3 215.296 2.149 10 30 BEEEHN C=C(COCC)C(=O)CCNCc1ccccc1 ZINC000685960544 538907724 /nfs/dbraw/zinc/90/77/24/538907724.db2.gz QJHGCRDCYPIWOM-UHFFFAOYSA-N 0 3 247.338 2.328 10 30 BEEEHN Cc1ccc(C#N)c(N(C)[C@H]2CCCN(C)C2)c1 ZINC000053246394 178363326 /nfs/dbraw/zinc/36/33/26/178363326.db2.gz RAWQGTYHAAYDHS-AWEZNQCLSA-N 0 3 243.354 2.397 10 30 BEEEHN CCC(C#N)C(=O)c1sc(C)nc1C ZINC000233973215 342916618 /nfs/dbraw/zinc/91/66/18/342916618.db2.gz USBBVYJVIUSVKT-MRVPVSSYSA-N 0 3 208.286 2.492 10 30 BEEEHN CCN1CCC[C@@H](Nc2nc(C)ccc2C#N)C1 ZINC000043395626 343062775 /nfs/dbraw/zinc/06/27/75/343062775.db2.gz CDOWFZQBPNMJHZ-CYBMUJFWSA-N 0 3 244.342 2.158 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1NCCC[C@H]1CCOC1 ZINC000402139228 349867454 /nfs/dbraw/zinc/86/74/54/349867454.db2.gz JMOJWAPKSXDRBR-RWMBFGLXSA-N 0 3 222.332 2.085 10 30 BEEEHN C=C(CC)CN1CCN2CCCC[C@@H]2C1 ZINC000313501882 344091164 /nfs/dbraw/zinc/09/11/64/344091164.db2.gz KOXSVTDMCDMYOV-CYBMUJFWSA-N 0 3 208.349 2.123 10 30 BEEEHN C=C(CC)CN1CCN2CCCC[C@H]2C1 ZINC000313501883 344091474 /nfs/dbraw/zinc/09/14/74/344091474.db2.gz KOXSVTDMCDMYOV-ZDUSSCGKSA-N 0 3 208.349 2.123 10 30 BEEEHN COCCCCCN[C@H]1CCCC[C@@H]1C#N ZINC000234629640 344157106 /nfs/dbraw/zinc/15/71/06/344157106.db2.gz WFSJQRVBXVGSGG-OLZOCXBDSA-N 0 3 224.348 2.475 10 30 BEEEHN C#CCN(C)[C@@H]1CCC2=C(CCCC2=O)C1 ZINC000027653885 344284398 /nfs/dbraw/zinc/28/43/98/344284398.db2.gz VSENRWBXNRWCMN-GFCCVEGCSA-N 0 3 217.312 2.154 10 30 BEEEHN N#C[C@H]1CCCC[C@@H]1NCCc1cccnc1 ZINC000054825550 344471935 /nfs/dbraw/zinc/47/19/35/344471935.db2.gz FHCLCHXVTYIPHD-KGLIPLIRSA-N 0 3 229.327 2.296 10 30 BEEEHN COCC(C)(C)CN[C@@H]1CCCC[C@@H]1C#N ZINC000381060284 344475134 /nfs/dbraw/zinc/47/51/34/344475134.db2.gz KUSLBVKIPUFLJZ-VXGBXAGGSA-N 0 3 224.348 2.331 10 30 BEEEHN C=C(C)CN1CC[C@@H](Oc2cccnc2)C1 ZINC000152559232 344604468 /nfs/dbraw/zinc/60/44/68/344604468.db2.gz RGBIZJSNZZAWNT-CYBMUJFWSA-N 0 3 218.300 2.111 10 30 BEEEHN C=C(C)CN1CC[C@H](Oc2cccnc2)C1 ZINC000152559127 344604486 /nfs/dbraw/zinc/60/44/86/344604486.db2.gz RGBIZJSNZZAWNT-ZDUSSCGKSA-N 0 3 218.300 2.111 10 30 BEEEHN C=C(Cl)CN[C@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000370089329 345225389 /nfs/dbraw/zinc/22/53/89/345225389.db2.gz AFODOIURFPRMAP-OUAUKWLOSA-N 0 3 227.735 2.286 10 30 BEEEHN CC#CCCN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)OC ZINC000248398139 345367190 /nfs/dbraw/zinc/36/71/90/345367190.db2.gz SUCFPDAEIUGUTE-MCIONIFRSA-N 0 3 249.354 2.206 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1N[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921456 345714640 /nfs/dbraw/zinc/71/46/40/345714640.db2.gz CVCULQPVWGKGII-KSSYENDESA-N 0 3 204.317 2.457 10 30 BEEEHN C=C(Cl)CN[C@@H]1CCCCC[C@@H]1O ZINC000164062743 345778381 /nfs/dbraw/zinc/77/83/81/345778381.db2.gz KTHMZQJFZLWALR-ZJUUUORDSA-N 0 3 203.713 2.022 10 30 BEEEHN C#C[C@H](N)[C@@H](C)Oc1cccc(Cl)c1 ZINC000163753821 346574635 /nfs/dbraw/zinc/57/46/35/346574635.db2.gz NTBFTKCWZZXCAH-KCJUWKMLSA-N 0 3 209.676 2.068 10 30 BEEEHN C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C#N)CCO1 ZINC000300385843 346575934 /nfs/dbraw/zinc/57/59/34/346575934.db2.gz OAKFFBVQNCIRSC-YVECIDJPSA-N 0 3 222.332 2.226 10 30 BEEEHN Cc1cc(C#N)ccc1CN1C[C@@H](C)C[C@H](O)C1 ZINC000401581468 347156960 /nfs/dbraw/zinc/15/69/60/347156960.db2.gz KIVCDXUPWKJYGE-NHYWBVRUSA-N 0 3 244.338 2.069 10 30 BEEEHN C[C@H](N[C@H]1CCCC[C@H]1C#N)C1CCOCC1 ZINC000300566797 347254186 /nfs/dbraw/zinc/25/41/86/347254186.db2.gz CTYYFOBVUSEWTJ-UBHSHLNASA-N 0 3 236.359 2.473 10 30 BEEEHN C#CCNCc1ccc(Br)cc1 ZINC000019875339 347302811 /nfs/dbraw/zinc/30/28/11/347302811.db2.gz KQCOTFKKXIPUKC-UHFFFAOYSA-N 0 3 224.101 2.172 10 30 BEEEHN CC[C@](C)(CN[C@H]1CCC[C@@H]1C#N)OC ZINC000322681229 347405915 /nfs/dbraw/zinc/40/59/15/347405915.db2.gz IEQIUIQZRZDTNE-GRYCIOLGSA-N 0 3 210.321 2.083 10 30 BEEEHN Cc1ccccc1CN1CCC(=NO)CC1 ZINC000019429734 179271451 /nfs/dbraw/zinc/27/14/51/179271451.db2.gz RKMVMRXSWKXKKM-UHFFFAOYSA-N 0 3 218.300 2.421 10 30 BEEEHN CCSCCN[C@@H]1CCCC[C@@H]1C#N ZINC000308540385 347822687 /nfs/dbraw/zinc/82/26/87/347822687.db2.gz NSCFCMUEYNBSDZ-GHMZBOCLSA-N 0 3 212.362 2.411 10 30 BEEEHN Cc1ccccc1[C@H](CN)N(CCC#N)C1CC1 ZINC000043037265 179341892 /nfs/dbraw/zinc/34/18/92/179341892.db2.gz CWJXXMSYZNUIBO-HNNXBMFYSA-N 0 3 243.354 2.373 10 30 BEEEHN C#CCOc1c(CNCC)cccc1OCC ZINC000037704919 187392567 /nfs/dbraw/zinc/39/25/67/187392567.db2.gz RZJCTJJXVJZBBY-UHFFFAOYSA-N 0 3 233.311 2.207 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000382194652 348960057 /nfs/dbraw/zinc/96/00/57/348960057.db2.gz CVCULQPVWGKGII-KIJLLGNVSA-N 0 3 204.317 2.457 10 30 BEEEHN CC(C)(C)[C@H](O)CN[C@@H]1CCCC[C@@H]1C#N ZINC000324539907 350307113 /nfs/dbraw/zinc/30/71/13/350307113.db2.gz RMXODFOBJYQBBD-IJLUTSLNSA-N 0 3 224.348 2.065 10 30 BEEEHN CC(C)N1CCOC[C@@H](c2ccc(C#N)cc2)C1 ZINC000616598809 350687521 /nfs/dbraw/zinc/68/75/21/350687521.db2.gz SIOYHZGLBRVRKX-HNNXBMFYSA-N 0 3 244.338 2.382 10 30 BEEEHN N#Cc1ccc([C@@H]2CCCCN2CCO)cc1 ZINC000616616392 350855265 /nfs/dbraw/zinc/85/52/65/350855265.db2.gz MDMWKWQOVQOOHB-AWEZNQCLSA-N 0 3 230.311 2.078 10 30 BEEEHN C[C@H](CS)CN1C[C@H](C)OC(C)(C)C1 ZINC000251553309 350898872 /nfs/dbraw/zinc/89/88/72/350898872.db2.gz CFVQGXYSKVSKAZ-UWVGGRQHSA-N 0 3 217.378 2.052 10 30 BEEEHN CC(C)(C)N1CCN[C@H](c2cccc(C#N)c2)C1 ZINC000616632992 351114260 /nfs/dbraw/zinc/11/42/60/351114260.db2.gz USEAGHRFBDZRRT-AWEZNQCLSA-N 0 3 243.354 2.303 10 30 BEEEHN C=C(C)CNc1cc(N)ncc1Br ZINC000306838328 351148643 /nfs/dbraw/zinc/14/86/43/351148643.db2.gz XEUSOMJXEGKIDP-UHFFFAOYSA-N 0 3 242.120 2.414 10 30 BEEEHN N#Cc1csc(CN[C@@H]2CCC[C@@H](O)C2)c1 ZINC000086500215 351166034 /nfs/dbraw/zinc/16/60/34/351166034.db2.gz BLHMKXIFNQDDGU-GHMZBOCLSA-N 0 3 236.340 2.013 10 30 BEEEHN c1ccc(CN(C[C@@H]2CO2)C2CC2)cc1 ZINC000307075579 351464729 /nfs/dbraw/zinc/46/47/29/351464729.db2.gz KPRUFOWRPFWTAJ-CYBMUJFWSA-N 0 3 203.285 2.050 10 30 BEEEHN C=C([C@@H](N)[C@H]1CCCCO1)C(F)(F)F ZINC000307189623 351589813 /nfs/dbraw/zinc/58/98/13/351589813.db2.gz VGPQYRHZMODAOM-HTQZYQBOSA-N 0 3 209.211 2.001 10 30 BEEEHN C[C@@H](CCC#N)N1CCC[C@@H]1c1cnn(C)c1 ZINC000276274862 351613591 /nfs/dbraw/zinc/61/35/91/351613591.db2.gz DQNCYJYWGBHIBE-WCQYABFASA-N 0 3 232.331 2.249 10 30 BEEEHN CC(C)[C@H](C)NCc1cccnc1C#N ZINC000061657276 187495792 /nfs/dbraw/zinc/49/57/92/187495792.db2.gz HIDRAXNZTBSJEQ-JTQLQIEISA-N 0 3 203.289 2.087 10 30 BEEEHN C=C(Br)CN[C@@H]1CCCCC[C@@H]1O ZINC000164063214 352556288 /nfs/dbraw/zinc/55/62/88/352556288.db2.gz BJCBDUNPNVSCSL-ZJUUUORDSA-N 0 3 248.164 2.178 10 30 BEEEHN CC(C)OCCCN[C@@H]1CCC[C@H]1C#N ZINC000336745479 352731391 /nfs/dbraw/zinc/73/13/91/352731391.db2.gz BDCPWTMOZWEOBU-NWDGAFQWSA-N 0 3 210.321 2.083 10 30 BEEEHN CC(C)[C@@H]1OCC[C@@H]1CNCc1ccc(C#N)o1 ZINC000267263910 187844682 /nfs/dbraw/zinc/84/46/82/187844682.db2.gz KWINLMINMJGJSH-RISCZKNCSA-N 0 3 248.326 2.302 10 30 BEEEHN C#CCNCc1ccc(C(F)(F)F)cc1 ZINC000019875422 188174181 /nfs/dbraw/zinc/17/41/81/188174181.db2.gz PSMDIFMJWUIWGW-UHFFFAOYSA-N 0 3 213.202 2.428 10 30 BEEEHN C=CCN(C)CCN(C)Cc1ccc(F)cc1 ZINC000121325429 324011136 /nfs/dbraw/zinc/01/11/36/324011136.db2.gz VSHUUKKJSUKAAU-UHFFFAOYSA-N 0 3 236.334 2.375 10 30 BEEEHN CC#CCN1CC[C@H](CNc2cccc(C)n2)C1 ZINC000160089380 353252567 /nfs/dbraw/zinc/25/25/67/353252567.db2.gz NJGAOVHHFPLXSC-CQSZACIVSA-N 0 3 243.354 2.147 10 30 BEEEHN C#CCNC[C@H](C)N1CCc2sccc2[C@H]1C ZINC000053495026 188220018 /nfs/dbraw/zinc/22/00/18/188220018.db2.gz FIEXARMZMDTPSS-NWDGAFQWSA-N 0 3 248.395 2.279 10 30 BEEEHN Fc1cccc2c1CCN[C@@H]2CCS ZINC000083665051 181005967 /nfs/dbraw/zinc/00/59/67/181005967.db2.gz LVNUDWKIQBWMJA-LLVKDONJSA-N 0 3 211.305 2.332 10 30 BEEEHN N#C[C@H]1CCCC[C@@H]1N(CCO)C1CCCC1 ZINC000042505879 181067309 /nfs/dbraw/zinc/06/73/09/181067309.db2.gz QOZSGJYBAPYAGX-OCCSQVGLSA-N 0 3 236.359 2.306 10 30 BEEEHN N#C[C@H]1CCCC[C@H]1NCCN1CCCCC1 ZINC000054827340 181069348 /nfs/dbraw/zinc/06/93/48/181069348.db2.gz CMFCFLBHCFUQSR-ZIAGYGMSSA-N 0 3 235.375 2.144 10 30 BEEEHN N#Cc1ccc(-c2cncc(CN)c2)cc1 ZINC000082004094 181095997 /nfs/dbraw/zinc/09/59/97/181095997.db2.gz JCCTUMSJMQXJTP-UHFFFAOYSA-N 0 3 209.252 2.079 10 30 BEEEHN N#Cc1ccc(CN(C[C@H]2CCOC2)C2CC2)o1 ZINC000129956036 181102892 /nfs/dbraw/zinc/10/28/92/181102892.db2.gz YZBNHMPCDVZKBH-LLVKDONJSA-N 0 3 246.310 2.152 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@H]1C#N)[C@@H]1CCCOC1 ZINC000388916968 355339318 /nfs/dbraw/zinc/33/93/18/355339318.db2.gz ORVDQWIZXGEASA-IGQOVBAYSA-N 0 3 236.359 2.473 10 30 BEEEHN C=CCC1(C(=O)N2CCN3CCC[C@H]3C2)CCC1 ZINC000191350572 357766232 /nfs/dbraw/zinc/76/62/32/357766232.db2.gz GILMWDNUHOTGKG-ZDUSSCGKSA-N 0 3 248.370 2.039 10 30 BEEEHN N#Cc1ccccc1OCCN1C[C@@H]2CCC[C@H]21 ZINC000351224313 358163365 /nfs/dbraw/zinc/16/33/65/358163365.db2.gz JZYXMOSXSYDLTJ-UONOGXRCSA-N 0 3 242.322 2.421 10 30 BEEEHN C#CC(C)(C)N(CC)CCO[C@@H]1CCCCO1 ZINC000584631236 358282705 /nfs/dbraw/zinc/28/27/05/358282705.db2.gz HNOBOCKLZGMFGH-CYBMUJFWSA-N 0 3 239.359 2.263 10 30 BEEEHN C=C(C)[C@H](CO)N[C@H](C)c1cccs1 ZINC000308562174 491137052 /nfs/dbraw/zinc/13/70/52/491137052.db2.gz FXNIUWYGLKCVOE-ZJUUUORDSA-N 0 3 211.330 2.336 10 30 BEEEHN C=C(C)[C@@H](CO)N[C@H](C)c1cccs1 ZINC000308562170 491137062 /nfs/dbraw/zinc/13/70/62/491137062.db2.gz FXNIUWYGLKCVOE-NXEZZACHSA-N 0 3 211.330 2.336 10 30 BEEEHN C[C@H]1N(Cc2ccccc2)CC[C@@]12CO2 ZINC000306196709 359025195 /nfs/dbraw/zinc/02/51/95/359025195.db2.gz LBISXHXPNOWRKD-DGCLKSJQSA-N 0 3 203.285 2.050 10 30 BEEEHN C#C[C@H](N)c1ccc(Br)c(C)c1 ZINC000130294600 359027193 /nfs/dbraw/zinc/02/71/93/359027193.db2.gz OCIQNPPWOPWAML-JTQLQIEISA-N 0 3 224.101 2.391 10 30 BEEEHN C#C[C@H](N)c1ccc(C)cc1Br ZINC000130287210 359012410 /nfs/dbraw/zinc/01/24/10/359012410.db2.gz BFHRZELXSRRQAV-JTQLQIEISA-N 0 3 224.101 2.391 10 30 BEEEHN CC1(C)[C@H](C(F)(F)F)CCN1C[C@@H]1CO1 ZINC000306302690 359577973 /nfs/dbraw/zinc/57/79/73/359577973.db2.gz HCSGWHIIFWWFDO-HTQZYQBOSA-N 0 3 223.238 2.048 10 30 BEEEHN Cc1ccc([C@H](C)NC(=O)C(C)C#N)cc1F ZINC000094929766 360327250 /nfs/dbraw/zinc/32/72/50/360327250.db2.gz PPUQBQYGOXCBAB-ZJUUUORDSA-N 0 3 234.274 2.471 10 30 BEEEHN C=C[C@@H](N)c1coc(Br)c1 ZINC000238577074 361157297 /nfs/dbraw/zinc/15/72/97/361157297.db2.gz GBLNELJKHCYPOT-ZCFIWIBFSA-N 0 3 202.051 2.228 10 30 BEEEHN NCC#Cc1ccc(COCc2ccco2)cc1 ZINC000049610361 181346280 /nfs/dbraw/zinc/34/62/80/181346280.db2.gz LLZAMMGJXKNIMH-UHFFFAOYSA-N 0 3 241.290 2.307 10 30 BEEEHN NCC#Cc1ccc(NC(=O)C2CCCC2)cc1 ZINC000037551038 181346662 /nfs/dbraw/zinc/34/66/62/181346662.db2.gz JFRAUONHUFLXRK-UHFFFAOYSA-N 0 3 242.322 2.126 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)[C@@H]1CCCOC1 ZINC000388916971 364224888 /nfs/dbraw/zinc/22/48/88/364224888.db2.gz ORVDQWIZXGEASA-REWJHTLYSA-N 0 3 236.359 2.473 10 30 BEEEHN CSCCCN[C@H]1CCCC[C@H]1C#N ZINC000069001136 370872038 /nfs/dbraw/zinc/87/20/38/370872038.db2.gz RFHINRRYPGGINU-QWRGUYRKSA-N 0 3 212.362 2.411 10 30 BEEEHN CN(C[C@@H]1CCCOC1)[C@@H]1CCC[C@@H]1C#N ZINC000110897379 369999574 /nfs/dbraw/zinc/99/95/74/369999574.db2.gz HCYMKIWWOAODAV-YNEHKIRRSA-N 0 3 222.332 2.037 10 30 BEEEHN C[C@H]1CN2CCCC[C@H]2CN1CC1(CC#N)CC1 ZINC000251902702 369980580 /nfs/dbraw/zinc/98/05/80/369980580.db2.gz WNSIQDTVJRUVSS-KBPBESRZSA-N 0 3 247.386 2.239 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1N[C@@H]1CCCOCC1 ZINC000309534739 370224705 /nfs/dbraw/zinc/22/47/05/370224705.db2.gz DWISNOANPZSJDN-XQQFMLRXSA-N 0 3 222.332 2.227 10 30 BEEEHN CCN(C[C@H](C)C#N)C[C@@H]1CCC[C@@H](O)C1 ZINC000309721120 370249884 /nfs/dbraw/zinc/24/98/84/370249884.db2.gz BTXVLHHAZDSBRA-JHJVBQTASA-N 0 3 224.348 2.019 10 30 BEEEHN CO[C@H](CN[C@H]1CCCC[C@@H]1C#N)C1CC1 ZINC000378736486 371016750 /nfs/dbraw/zinc/01/67/50/371016750.db2.gz GREHVOAUHUEGLT-FRRDWIJNSA-N 0 3 222.332 2.083 10 30 BEEEHN CCN(Cc1ccc(C#N)o1)CC1CC1 ZINC000125642453 371368764 /nfs/dbraw/zinc/36/87/64/371368764.db2.gz RDBMXEBBRHRMBC-UHFFFAOYSA-N 0 3 204.273 2.383 10 30 BEEEHN N#C[C@H]1CCC[C@H]1NCC1CCSCC1 ZINC000162462267 371691677 /nfs/dbraw/zinc/69/16/77/371691677.db2.gz XAVGQCPEXGEIHG-VXGBXAGGSA-N 0 3 224.373 2.411 10 30 BEEEHN Nc1ccncc1C1=CC(=O)CCCC1 ZINC000230163967 371864643 /nfs/dbraw/zinc/86/46/43/371864643.db2.gz GHYXYNKPYUPUDS-UHFFFAOYSA-N 0 3 202.257 2.190 10 30 BEEEHN C=C[C@H](N)c1ccoc1Br ZINC000229299180 372138286 /nfs/dbraw/zinc/13/82/86/372138286.db2.gz RVZXHOCRPGTGQD-LURJTMIESA-N 0 3 202.051 2.228 10 30 BEEEHN CCNCC#Cc1cscc1Br ZINC000229454629 372154338 /nfs/dbraw/zinc/15/43/38/372154338.db2.gz OCSUTQSFFNLUED-UHFFFAOYSA-N 0 3 244.157 2.472 10 30 BEEEHN CCCN1CCC(C#N)(N2CCCCC2)CC1 ZINC000037356929 169186353 /nfs/dbraw/zinc/18/63/53/169186353.db2.gz URFQPHAQOPRLEV-UHFFFAOYSA-N 0 3 235.375 2.240 10 30 BEEEHN C[C@H](N)c1cc(Cl)ccc1OCC#N ZINC000050209370 383969045 /nfs/dbraw/zinc/96/90/45/383969045.db2.gz JXBIKJXNMOSWAB-ZETCQYMHSA-N 0 3 210.664 2.262 10 30 BEEEHN C=CCCCN(C)Cc1c(C)nn(C)c1C ZINC000117876759 384609290 /nfs/dbraw/zinc/60/92/90/384609290.db2.gz HXKIZMSNKKPEOJ-UHFFFAOYSA-N 0 3 221.348 2.435 10 30 BEEEHN C[C@@H]1C[C@H](CN[C@H]2CCC[C@H]2C#N)CCO1 ZINC000309448420 385589009 /nfs/dbraw/zinc/58/90/09/385589009.db2.gz LXAYDMDGRQWWNJ-NDBYEHHHSA-N 0 3 222.332 2.083 10 30 BEEEHN NCC#Cc1csc(C(F)(F)F)c1 ZINC000575574884 386978289 /nfs/dbraw/zinc/97/82/89/386978289.db2.gz AHZDTPKWTMNOQW-UHFFFAOYSA-N 0 3 205.204 2.077 10 30 BEEEHN C#C[C@@H](N)Cc1ccc(Br)cc1F ZINC000575467595 387077538 /nfs/dbraw/zinc/07/75/38/387077538.db2.gz QLBJRBRBHNVVNS-SECBINFHSA-N 0 3 242.091 2.091 10 30 BEEEHN C=CCOc1ccccc1CNC[C@@H](C)N(C)C ZINC000038087540 387573394 /nfs/dbraw/zinc/57/33/94/387573394.db2.gz GXPNCZCHDZTCHN-CYBMUJFWSA-N 0 3 248.370 2.291 10 30 BEEEHN C=CCC(CC=C)C(=O)N1CCN2CCC[C@H]2C1 ZINC000177101873 387915347 /nfs/dbraw/zinc/91/53/47/387915347.db2.gz BBWPLLGMEROGGQ-AWEZNQCLSA-N 0 3 248.370 2.061 10 30 BEEEHN C=CCN1CC[C@H](CNc2ccccn2)C1 ZINC000195515948 388165875 /nfs/dbraw/zinc/16/58/75/388165875.db2.gz GGNDUPICOHFHTF-GFCCVEGCSA-N 0 3 217.316 2.001 10 30 BEEEHN C[C@H]1CN(CC(C)(C)CCC#N)C[C@H](C)O1 ZINC000127042764 388712598 /nfs/dbraw/zinc/71/25/98/388712598.db2.gz URVMVWCUTOKXAQ-RYUDHWBXSA-N 0 3 224.348 2.426 10 30 BEEEHN C=C(C)COCCNCc1cccn1CC ZINC000168612045 134231957 /nfs/dbraw/zinc/23/19/57/134231957.db2.gz FSXDQSGRTGGXOI-UHFFFAOYSA-N 0 3 222.332 2.190 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1N[C@H]1CCCSC1 ZINC000250640699 135057442 /nfs/dbraw/zinc/05/74/42/135057442.db2.gz HCVQZWHJCKZIKI-DCAQKATOSA-N 0 3 210.346 2.164 10 30 BEEEHN CC(C)[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C#N)CCO1 ZINC000251380239 135071396 /nfs/dbraw/zinc/07/13/96/135071396.db2.gz ZBMNHGFFQXKJTL-MQYQWHSLSA-N 0 3 236.359 2.472 10 30 BEEEHN CC(C)C1(NC[C@H](C#N)CCC#N)CC1 ZINC000339510616 135074970 /nfs/dbraw/zinc/07/49/70/135074970.db2.gz VUCWIOGSOXLIQH-NSHDSACASA-N 0 3 205.305 2.208 10 30 BEEEHN C[C@H]1CN2CCCC[C@H]2CN1CCC(C)(C)C#N ZINC000252694264 135094635 /nfs/dbraw/zinc/09/46/35/135094635.db2.gz ZLWFFQIGVYOLMX-KBPBESRZSA-N 0 3 249.402 2.485 10 30 BEEEHN C=CCCCN(C)C(=O)[C@H](CCC)N(C)C ZINC000162159086 398132191 /nfs/dbraw/zinc/13/21/91/398132191.db2.gz GQYJIBSEORSLGX-LBPRGKRZSA-N 0 3 226.364 2.141 10 30 BEEEHN C#CCNCCOc1ccccc1OCCC ZINC000053568080 166187615 /nfs/dbraw/zinc/18/76/15/166187615.db2.gz ANAQUOYNRQHASP-UHFFFAOYSA-N 0 3 233.311 2.077 10 30 BEEEHN C=CCC[C@@H](NC(=O)[C@H](C)N)c1ccccc1 ZINC000157800226 166296020 /nfs/dbraw/zinc/29/60/20/166296020.db2.gz HWWMQXLPIUHPDK-WCQYABFASA-N 0 3 232.327 2.157 10 30 BEEEHN CC(C)(C)NC(=NN)[C@H]1CCOc2ccccc21 ZINC000104186636 166609386 /nfs/dbraw/zinc/60/93/86/166609386.db2.gz YPFLVRXWPUGZMI-NSHDSACASA-N 0 3 247.342 2.213 10 30 BEEEHN CC(C)N[C@](C)(C#N)CCN(C)C[C@@H]1C[C@@H]1C ZINC000104423761 167141927 /nfs/dbraw/zinc/14/19/27/167141927.db2.gz FZKSMNZXLUDUET-IHRRRGAJSA-N 0 3 237.391 2.245 10 30 BEEEHN CCOC(=O)C(C#N)Cc1ccc(F)cc1F ZINC000074468165 170263065 /nfs/dbraw/zinc/26/30/65/170263065.db2.gz NQIIJHBOFWPZKD-VIFPVBQESA-N 0 3 239.221 2.210 10 30 BEEEHN CCOCCN[C@H](C)c1ccc(C#N)s1 ZINC000127408418 170414968 /nfs/dbraw/zinc/41/49/68/170414968.db2.gz DMLJZHZLLUCJGQ-SECBINFHSA-N 0 3 224.329 2.307 10 30 BEEEHN CC[C@@H]1CC[C@H](C#N)[C@H](N(CCO)C(C)C)C1 ZINC000042479176 171046293 /nfs/dbraw/zinc/04/62/93/171046293.db2.gz WUSOBENGHMIFGM-MGPQQGTHSA-N 0 3 238.375 2.408 10 30 BEEEHN CC[C@@H]1CN([C@@H]2CCCC[C@@H]2C#N)CCN1C ZINC000104135912 171094480 /nfs/dbraw/zinc/09/44/80/171094480.db2.gz PXDJLNFXFUFRCF-MGPQQGTHSA-N 0 3 235.375 2.095 10 30 BEEEHN CC[C@@](C)(O)CN(C)Cc1ccc(C#N)cc1 ZINC000123369751 171178631 /nfs/dbraw/zinc/17/86/31/171178631.db2.gz PGJIFPNRUYIGHJ-CQSZACIVSA-N 0 3 232.327 2.151 10 30 BEEEHN CN(C)C(=O)N1C=Cc2ccccc2C1C#N ZINC000034077428 172376954 /nfs/dbraw/zinc/37/69/54/172376954.db2.gz DIHBQISMUSBLTK-GFCCVEGCSA-N 0 3 227.267 2.219 10 30 BEEEHN COCCNCc1ccc(OCCCC#N)cc1 ZINC000062729107 174335833 /nfs/dbraw/zinc/33/58/33/174335833.db2.gz LOPKDSPPUJTJJF-UHFFFAOYSA-N 0 3 248.326 2.105 10 30 BEEEHN C[C@@H](S)[C@@H]1NCCc2c(F)cccc21 ZINC000083665042 176007579 /nfs/dbraw/zinc/00/75/79/176007579.db2.gz LNJSLHHPXDFKOM-HQJQHLMTSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@H]1C[C@@H]1NCc1ccc(C#N)cc1F ZINC000052288158 177349973 /nfs/dbraw/zinc/34/99/73/177349973.db2.gz GARGIXJHYVRCAK-UFBFGSQYSA-N 0 3 204.248 2.195 10 30 BEEEHN C=CCCCN(C)C(=O)[C@@H](CCC)N(C)C ZINC000162159212 323598123 /nfs/dbraw/zinc/59/81/23/323598123.db2.gz GQYJIBSEORSLGX-GFCCVEGCSA-N 0 3 226.364 2.141 10 30 BEEEHN C=C(CN[C@H]1CCCOC1)c1ccccc1 ZINC000132311046 491135266 /nfs/dbraw/zinc/13/52/66/491135266.db2.gz XOMCETYBSSJQSS-AWEZNQCLSA-N 0 3 217.312 2.468 10 30 BEEEHN C=CCCCN(C)Cc1ccnn1CC ZINC000128883619 534710273 /nfs/dbraw/zinc/71/02/73/534710273.db2.gz NDCJKXPPLHKFGI-UHFFFAOYSA-N 0 3 207.321 2.301 10 30 BEEEHN C=CCCCN(C)[C@H](C)C(=O)NCCC(C)C ZINC000121158816 534713463 /nfs/dbraw/zinc/71/34/63/534713463.db2.gz KEXYIJOJSILCAW-CYBMUJFWSA-N 0 3 240.391 2.435 10 30 BEEEHN C=CCCCN(C)[C@H](C)C(=O)N(CC)CC ZINC000121159143 534714392 /nfs/dbraw/zinc/71/43/92/534714392.db2.gz PTKFJKASLFYGOV-GFCCVEGCSA-N 0 3 226.364 2.141 10 30 BEEEHN C=CCCC[C@H](C)NC(=O)[C@@H](N)[C@@H](C)CC ZINC000236902072 534759138 /nfs/dbraw/zinc/75/91/38/534759138.db2.gz KRRRRTBRGJRTRQ-SRVKXCTJSA-N 0 3 226.364 2.221 10 30 BEEEHN CCCCO[C@H](C)C(=O)C(C#N)c1ccccn1 ZINC000103638065 586171908 /nfs/dbraw/zinc/17/19/08/586171908.db2.gz WXULZUOKIMJQCU-VXGBXAGGSA-N 0 3 246.310 2.463 10 30 BEEEHN CCN(CC)CC#C[C@H](C)OC(=O)C1CCC1 ZINC000119405459 589281611 /nfs/dbraw/zinc/28/16/11/589281611.db2.gz LGGHAVDNAOUHTK-LBPRGKRZSA-N 0 3 237.343 2.063 10 30 BEEEHN C#CCCCN1C[C@H]2CCCCN2C[C@H]1CC ZINC000300409568 592511629 /nfs/dbraw/zinc/51/16/29/592511629.db2.gz IUDMLGQUSYOAIU-HUUCEWRRSA-N 0 3 234.387 2.349 10 30 BEEEHN C#CCCNCc1nc2ccccc2n1CC ZINC000070245245 643006306 /nfs/dbraw/zinc/00/63/06/643006306.db2.gz NCOZTFGKDIEOBE-UHFFFAOYSA-N 0 3 227.311 2.169 10 30 BEEEHN CS[C@H](C)CNCC#Cc1ccccc1 ZINC000122041786 711603904 /nfs/dbraw/zinc/60/39/04/711603904.db2.gz OEOYPNAORGGDRQ-GFCCVEGCSA-N 0 3 219.353 2.379 10 30 BEEEHN CN(CCCCC#N)Cc1ccccn1 ZINC000049579395 1171707752 /nfs/dbraw/zinc/70/77/52/1171707752.db2.gz XCROUZBOYXGTNN-UHFFFAOYSA-N 0 3 203.289 2.207 10 30 BEEEHN OCC[C@H]1CCCN(CC#Cc2ccccc2)C1 ZINC000051916416 539011748 /nfs/dbraw/zinc/01/17/48/539011748.db2.gz FHJXOTMDFKDARW-MRXNPFEDSA-N 0 3 243.350 2.133 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000602607515 349630275 /nfs/dbraw/zinc/63/02/75/349630275.db2.gz LYDVSOOWXKJFSG-YHQUGGNUSA-N 0 3 246.354 2.226 10 30 BEEEHN C#Cc1ccc(O[C@@H]2CN3CCC2CC3)cc1 ZINC000116472850 342927255 /nfs/dbraw/zinc/92/72/55/342927255.db2.gz YUMBULSFBAGLKM-OAHLLOKOSA-N 0 3 227.307 2.141 10 30 BEEEHN C#Cc1ccc(O[C@H]2CN3CCC2CC3)cc1 ZINC000116472852 342927409 /nfs/dbraw/zinc/92/74/09/342927409.db2.gz YUMBULSFBAGLKM-HNNXBMFYSA-N 0 3 227.307 2.141 10 30 BEEEHN C#CC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000019875636 166191410 /nfs/dbraw/zinc/19/14/10/166191410.db2.gz GUJSMWVMZHZCQM-WDEREUQCSA-N 0 3 215.296 2.472 10 30 BEEEHN C=C(Br)CN[C@@H]1C[C@H]2C[C@H]2C1 ZINC000307279342 343923749 /nfs/dbraw/zinc/92/37/49/343923749.db2.gz WUJNKDFTOCWESD-AYMMMOKOSA-N 0 3 216.122 2.283 10 30 BEEEHN C=C[C@H](C)Nc1cc(N)ncc1Br ZINC000307364626 343933112 /nfs/dbraw/zinc/93/31/12/343933112.db2.gz ITFKYFIHRQXTRI-LURJTMIESA-N 0 3 242.120 2.413 10 30 BEEEHN N#CCC1(CN2CC[C@@]3(O)CCCC[C@@H]3C2)CC1 ZINC000220291226 344138647 /nfs/dbraw/zinc/13/86/47/344138647.db2.gz RIXRMAHQWJLROV-HIFRSBDPSA-N 0 3 248.370 2.307 10 30 BEEEHN COCCCCCN[C@H]1CCCC[C@H]1C#N ZINC000234629834 344157036 /nfs/dbraw/zinc/15/70/36/344157036.db2.gz WFSJQRVBXVGSGG-STQMWFEESA-N 0 3 224.348 2.475 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NCC1CCOCC1 ZINC000082544518 344157172 /nfs/dbraw/zinc/15/71/72/344157172.db2.gz DYUWVUNSDMSZEN-STQMWFEESA-N 0 3 222.332 2.085 10 30 BEEEHN C#CC[C@H](N)c1ccoc1Br ZINC000236305213 344354627 /nfs/dbraw/zinc/35/46/27/344354627.db2.gz NLXDVRPLYWXXFN-ZETCQYMHSA-N 0 3 214.062 2.065 10 30 BEEEHN CCOCCCN[C@H]1CCCC[C@H]1C#N ZINC000054824276 344457737 /nfs/dbraw/zinc/45/77/37/344457737.db2.gz IBONAVDRNALSGN-RYUDHWBXSA-N 0 3 210.321 2.085 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCCOC1 ZINC000054825913 344472255 /nfs/dbraw/zinc/47/22/55/344472255.db2.gz GOLAIMCTPBTUOD-AVGNSLFASA-N 0 3 222.332 2.085 10 30 BEEEHN C[C@@H](C#N)Oc1cccc(Cl)c1CN ZINC000127456113 344541753 /nfs/dbraw/zinc/54/17/53/344541753.db2.gz OBMIWACDSGMWKG-ZETCQYMHSA-N 0 3 210.664 2.090 10 30 BEEEHN C#CCC[C@@H](N)c1ccc(Br)o1 ZINC000127894233 344677063 /nfs/dbraw/zinc/67/70/63/344677063.db2.gz FUHIOFQAKVKILW-SSDOTTSWSA-N 0 3 228.089 2.455 10 30 BEEEHN C[C@H](CN(C)C)Nc1nc(Cl)c(C#N)s1 ZINC000235452029 344918683 /nfs/dbraw/zinc/91/86/83/344918683.db2.gz CHJCJVMPZGYBJD-ZCFIWIBFSA-N 0 3 244.751 2.030 10 30 BEEEHN C=C[C@@H](N)c1ccncc1Br ZINC000238575674 345078938 /nfs/dbraw/zinc/07/89/38/345078938.db2.gz DFODEHCYYRISOA-MRVPVSSYSA-N 0 3 213.078 2.030 10 30 BEEEHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCC[C@H]1C#N ZINC000306235821 345130378 /nfs/dbraw/zinc/13/03/78/345130378.db2.gz OOSSLYFQBVYVAD-YTWAJWBKSA-N 0 3 210.346 2.020 10 30 BEEEHN CCCCCCCCOC[C@@H](O)CN(C)C ZINC000136147416 345806995 /nfs/dbraw/zinc/80/69/95/345806995.db2.gz ITSKICHQTDINGY-ZDUSSCGKSA-N 0 3 231.380 2.286 10 30 BEEEHN C[C@@H]1OCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C#N ZINC000300379926 345804865 /nfs/dbraw/zinc/80/48/65/345804865.db2.gz MCTPMZLHHMLRSU-UMSGYPCISA-N 0 3 222.332 2.083 10 30 BEEEHN CC[C@](C)(CN[C@@H]1CCCC[C@H]1C#N)OC ZINC000322636370 345956108 /nfs/dbraw/zinc/95/61/08/345956108.db2.gz SLQNOWCJEROQNW-YNEHKIRRSA-N 0 3 224.348 2.473 10 30 BEEEHN Cc1cccc([C@H](CN)N(C)C[C@@H](C)C#N)c1 ZINC000042967486 179198482 /nfs/dbraw/zinc/19/84/82/179198482.db2.gz WNUJMSAVEKPAMR-JSGCOSHPSA-N 0 3 231.343 2.086 10 30 BEEEHN C#CCNCc1ccc(N(CC)CC)cc1 ZINC000020084673 347350010 /nfs/dbraw/zinc/35/00/10/347350010.db2.gz DWMGDEKNUBKTKV-UHFFFAOYSA-N 0 3 216.328 2.256 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NCCC[C@H]1CCOC1 ZINC000402072213 349331075 /nfs/dbraw/zinc/33/10/75/349331075.db2.gz IITIKCLHMFZUHU-MELADBBJSA-N 0 3 236.359 2.475 10 30 BEEEHN CC(C)N1CCOC[C@@H](c2cccc(C#N)c2)C1 ZINC000616596894 350638412 /nfs/dbraw/zinc/63/84/12/350638412.db2.gz DONRDZAAHARQJG-HNNXBMFYSA-N 0 3 244.338 2.382 10 30 BEEEHN CC1(C)Cc2nc(CC#N)sc2[C@H](N)C1 ZINC000050331087 187464157 /nfs/dbraw/zinc/46/41/57/187464157.db2.gz SVAZOQZMEGPENT-SSDOTTSWSA-N 0 3 221.329 2.181 10 30 BEEEHN N#Cc1cccc([C@H]2CCCCCN2CCO)c1 ZINC000616623187 351088604 /nfs/dbraw/zinc/08/86/04/351088604.db2.gz MLCKUPSZDSGMTL-OAHLLOKOSA-N 0 3 244.338 2.468 10 30 BEEEHN CC(C#N)S(=O)(=O)c1cccc(Cl)c1 ZINC000054185731 351919199 /nfs/dbraw/zinc/91/91/99/351919199.db2.gz AZNPVBFAQSYDRI-SSDOTTSWSA-N 0 3 229.688 2.026 10 30 BEEEHN C=C[C@H](C)Oc1cccc(CNCCOC)c1 ZINC000062731723 187535040 /nfs/dbraw/zinc/53/50/40/187535040.db2.gz SOFMYPRBLAQDMX-LBPRGKRZSA-N 0 3 235.327 2.376 10 30 BEEEHN C[C@H](NCc1cccc(C#N)c1F)[C@H]1CCCO1 ZINC000230632534 352185174 /nfs/dbraw/zinc/18/51/74/352185174.db2.gz MYHUNAQUDUYTLZ-GXFFZTMASA-N 0 3 248.301 2.354 10 30 BEEEHN C=CC(C)(C)CCNC(=O)[C@]1(C)CCCCN1 ZINC000638453963 352266713 /nfs/dbraw/zinc/26/67/13/352266713.db2.gz CFUACJCHTQHFLR-AWEZNQCLSA-N 0 3 238.375 2.237 10 30 BEEEHN CC#CCCN1C[C@@H]2CCCCN2C[C@@H]1CC ZINC000231370345 538105943 /nfs/dbraw/zinc/10/59/43/538105943.db2.gz QYKFPTLQTHVFJH-GJZGRUSLSA-N 0 3 234.387 2.349 10 30 BEEEHN C=CCCC(C)(C)CNC(=O)[C@H](N)[C@@H](C)CC ZINC000638875430 353041881 /nfs/dbraw/zinc/04/18/81/353041881.db2.gz SUTOETGBZGXAKD-NWDGAFQWSA-N 0 3 240.391 2.468 10 30 BEEEHN C[C@H]1CN(CC2(CC#N)CC2)CCS1 ZINC000123384683 353153188 /nfs/dbraw/zinc/15/31/88/353153188.db2.gz MKQHFZBJYLOELU-JTQLQIEISA-N 0 3 210.346 2.118 10 30 BEEEHN C#CCOc1ccc(Cl)cc1[C@H](C)N ZINC000050209318 353170669 /nfs/dbraw/zinc/17/06/69/353170669.db2.gz VTXRLEXNDKSUCV-QMMMGPOBSA-N 0 3 209.676 2.372 10 30 BEEEHN CC(C)N1CCC(C#N)(NC2CCCC2)CC1 ZINC000037968415 188115725 /nfs/dbraw/zinc/11/57/25/188115725.db2.gz SAGQRWCININGDL-UHFFFAOYSA-N 0 3 235.375 2.285 10 30 BEEEHN C[C@@H](NCC#Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000183100010 353509994 /nfs/dbraw/zinc/50/99/94/353509994.db2.gz UXUHEFNHEOPUFZ-IUODEOHRSA-N 0 3 247.313 2.334 10 30 BEEEHN N#CC1(c2cccc(Cl)c2)CCNCC1 ZINC000071522768 181031924 /nfs/dbraw/zinc/03/19/24/181031924.db2.gz NXILGTQCBQHWLY-UHFFFAOYSA-N 0 3 220.703 2.485 10 30 BEEEHN N#CCCN([C@H](CN)c1ccccc1)C1CC1 ZINC000042899489 181036955 /nfs/dbraw/zinc/03/69/55/181036955.db2.gz ZAVYWCQYTKIMEB-CQSZACIVSA-N 0 3 229.327 2.064 10 30 BEEEHN N#CCCN([C@H](CN)c1ccccc1F)C1CC1 ZINC000043045653 181036967 /nfs/dbraw/zinc/03/69/67/181036967.db2.gz MPDPLNPHXMPRID-CQSZACIVSA-N 0 3 247.317 2.204 10 30 BEEEHN N#CCCN([C@H](CN)c1cccc(F)c1)C1CC1 ZINC000042972981 181037133 /nfs/dbraw/zinc/03/71/33/181037133.db2.gz ZFGNHKIQYWZVIR-CQSZACIVSA-N 0 3 247.317 2.204 10 30 BEEEHN N#Cc1c(Cl)cc(Br)cc1CN ZINC000299889264 181073626 /nfs/dbraw/zinc/07/36/26/181073626.db2.gz GPCYHTGEUDMBST-UHFFFAOYSA-N 0 3 245.507 2.433 10 30 BEEEHN C=C(Br)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000232455005 363373157 /nfs/dbraw/zinc/37/31/57/363373157.db2.gz MNFLKXTXSATERT-NXEZZACHSA-N 0 3 246.148 2.052 10 30 BEEEHN N#Cc1ccc(CNCc2ccc[nH]2)cc1 ZINC000051789217 181109483 /nfs/dbraw/zinc/10/94/83/181109483.db2.gz FHVZGBWVJOZJMH-UHFFFAOYSA-N 0 3 211.268 2.176 10 30 BEEEHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2O)c(F)c1 ZINC000052013047 181109545 /nfs/dbraw/zinc/10/95/45/181109545.db2.gz JOXQVBJLEAZPOT-KGLIPLIRSA-N 0 3 248.301 2.090 10 30 BEEEHN COC(C)(C)CCN[C@@H]1CCC[C@@H]1C#N ZINC000234561271 363424337 /nfs/dbraw/zinc/42/43/37/363424337.db2.gz GWBGEKMFSOLOEL-GHMZBOCLSA-N 0 3 210.321 2.083 10 30 BEEEHN C[C@@H]1C[C@H](CN[C@@H]2CCCC[C@H]2C#N)CCO1 ZINC000388655092 357094231 /nfs/dbraw/zinc/09/42/31/357094231.db2.gz FJVKRGLYJBPRRE-YIYPIFLZSA-N 0 3 236.359 2.473 10 30 BEEEHN COCC#C[C@@H](C)N(C)Cc1ccccc1 ZINC000584595444 358253120 /nfs/dbraw/zinc/25/31/20/358253120.db2.gz VARCASWVAOGDNI-CYBMUJFWSA-N 0 3 217.312 2.157 10 30 BEEEHN CN(C)CC#CCN1CCCc2ccccc21 ZINC000584624465 358292623 /nfs/dbraw/zinc/29/26/23/358292623.db2.gz KVGTYFZLFDTHOO-UHFFFAOYSA-N 0 3 228.339 2.004 10 30 BEEEHN C#C[C@@H](N)c1ccc(Br)cc1C ZINC000130124402 358422182 /nfs/dbraw/zinc/42/21/82/358422182.db2.gz KQEBVXXZXQGLER-SNVBAGLBSA-N 0 3 224.101 2.391 10 30 BEEEHN C=CCOc1ccccc1CNC[C@H](O)C(C)C ZINC000134698989 358802270 /nfs/dbraw/zinc/80/22/70/358802270.db2.gz WCUUTYUUAQAEQY-AWEZNQCLSA-N 0 3 249.354 2.358 10 30 BEEEHN CC(C)COC1CCN(CCCC#N)CC1 ZINC000054324742 358859031 /nfs/dbraw/zinc/85/90/31/358859031.db2.gz QJEUSHYGTGMGBS-UHFFFAOYSA-N 0 3 224.348 2.427 10 30 BEEEHN C[C@H]1N(Cc2ccccc2)CC[C@]12CO2 ZINC000306196713 359025284 /nfs/dbraw/zinc/02/52/84/359025284.db2.gz LBISXHXPNOWRKD-YPMHNXCESA-N 0 3 203.285 2.050 10 30 BEEEHN C#CCN1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247534161 359231801 /nfs/dbraw/zinc/23/18/01/359231801.db2.gz OMVBQGQPSRVXSR-HUUCEWRRSA-N 0 3 229.323 2.208 10 30 BEEEHN C#C[C@H](N)c1cc(Br)ccc1C ZINC000130322507 359501130 /nfs/dbraw/zinc/50/11/30/359501130.db2.gz IMRNFKVKSDYBMT-JTQLQIEISA-N 0 3 224.101 2.391 10 30 BEEEHN CC(C)(C#N)CCN1CCN2CCCC[C@@H]2C1 ZINC000094439490 360308457 /nfs/dbraw/zinc/30/84/57/360308457.db2.gz IGPXALBTVPTFDY-CYBMUJFWSA-N 0 3 235.375 2.096 10 30 BEEEHN NCC#Cc1ccc(CN2CCCCC2)c(F)c1 ZINC000049608672 181346501 /nfs/dbraw/zinc/34/65/01/181346501.db2.gz HCVGJHXIBYGWFF-UHFFFAOYSA-N 0 3 246.329 2.122 10 30 BEEEHN NCC#Cc1cc(F)ccc1CN1CCCCC1 ZINC000049608674 181346534 /nfs/dbraw/zinc/34/65/34/181346534.db2.gz NHXNEINVLATRSH-UHFFFAOYSA-N 0 3 246.329 2.122 10 30 BEEEHN CC[C@@H]1CCCCCN1C(=O)C(C)C#N ZINC000134805620 364413909 /nfs/dbraw/zinc/41/39/09/364413909.db2.gz XBCMHUUXVRYLOD-GHMZBOCLSA-N 0 3 208.305 2.327 10 30 BEEEHN O=C[C@H]1CCCN(Cc2cccs2)C1 ZINC000054219149 369061939 /nfs/dbraw/zinc/06/19/39/369061939.db2.gz PBJNQMKUMFMVDP-JTQLQIEISA-N 0 3 209.314 2.159 10 30 BEEEHN C[C@H](C(=O)c1ccco1)/[N+]([O-])=C/c1ccccc1 ZINC000225410326 370552404 /nfs/dbraw/zinc/55/24/04/370552404.db2.gz QOTDQUYPNQMREU-MKVLZVNKSA-N 0 3 244.270 2.372 10 30 BEEEHN NCC#Cc1cc2cc(Cl)ccc2o1 ZINC000131807524 371682843 /nfs/dbraw/zinc/68/28/43/371682843.db2.gz UXBJXTBAHJSRHK-UHFFFAOYSA-N 0 3 205.644 2.396 10 30 BEEEHN N=C(N)Nc1c(Cl)cc(F)cc1Cl ZINC000143387296 374175010 /nfs/dbraw/zinc/17/50/10/374175010.db2.gz DVCDEADUPZGLLU-UHFFFAOYSA-N 0 3 222.050 2.037 10 30 BEEEHN CCCN(CC)Cc1ccc(C#CCO)cc1F ZINC000049617332 169128715 /nfs/dbraw/zinc/12/87/15/169128715.db2.gz UGMLRGRHRRXPPO-UHFFFAOYSA-N 0 3 249.329 2.401 10 30 BEEEHN CCCNC(=NN)[C@H]1CCCc2ccccc21 ZINC000054669723 169184011 /nfs/dbraw/zinc/18/40/11/169184011.db2.gz VIPXZDVKOHJBEA-ZDUSSCGKSA-N 0 3 231.343 2.378 10 30 BEEEHN CCCN[C@@](C)(C#N)CCN(C)C[C@@H]1C[C@@H]1C ZINC000104422190 169284078 /nfs/dbraw/zinc/28/40/78/169284078.db2.gz YUEOQKBMEIOBCC-MELADBBJSA-N 0 3 237.391 2.246 10 30 BEEEHN N#C[C@H]1CCC[C@@H]1NCCC1CCOCC1 ZINC000309253958 134386534 /nfs/dbraw/zinc/38/65/34/134386534.db2.gz RMCHSAOHABKQEV-OLZOCXBDSA-N 0 3 222.332 2.085 10 30 BEEEHN CC[C@](C)(O)CN(C)Cc1cccc(C#N)c1 ZINC000119383921 384236711 /nfs/dbraw/zinc/23/67/11/384236711.db2.gz LGSOKZALEHPMOG-AWEZNQCLSA-N 0 3 232.327 2.151 10 30 BEEEHN CC#CCN(CCC)C[C@@H]1CCCCO1 ZINC000119377324 384359937 /nfs/dbraw/zinc/35/99/37/384359937.db2.gz VKECLDHFJVIEFO-ZDUSSCGKSA-N 0 3 209.333 2.291 10 30 BEEEHN CC#CCCN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000155401072 384721810 /nfs/dbraw/zinc/72/18/10/384721810.db2.gz CEPMOYJBDMIBQZ-CYBMUJFWSA-N 0 3 247.342 2.046 10 30 BEEEHN CC#CCCN1CCC[C@@H](n2ccnc2CC)C1 ZINC000155557612 384734586 /nfs/dbraw/zinc/73/45/86/384734586.db2.gz TYKRZEJZLCZWFK-CQSZACIVSA-N 0 3 245.370 2.496 10 30 BEEEHN COc1ccc(CN[C@H]2C[C@@H]2C)cc1C#N ZINC000083730044 384849987 /nfs/dbraw/zinc/84/99/87/384849987.db2.gz LNRPAWRBUSMPNH-CABZTGNLSA-N 0 3 216.284 2.065 10 30 BEEEHN CC#CCCN1CCCC[C@H]1c1cn[nH]c1 ZINC000156637617 384901685 /nfs/dbraw/zinc/90/16/85/384901685.db2.gz UYMLPFJONAWJIG-ZDUSSCGKSA-N 0 3 217.316 2.350 10 30 BEEEHN CN(Cc1ccc(C#N)o1)C[C@@H]1CCCOC1 ZINC000119745605 384918396 /nfs/dbraw/zinc/91/83/96/384918396.db2.gz PQZFKRRPGYWALJ-NSHDSACASA-N 0 3 234.299 2.010 10 30 BEEEHN Cc1ccc([C@@H](C)NCCOCCC#N)o1 ZINC000294708431 385131198 /nfs/dbraw/zinc/13/11/98/385131198.db2.gz UZWLXQVSLOFSMU-LLVKDONJSA-N 0 3 222.288 2.169 10 30 BEEEHN N#C[C@H]1CCC[C@H](NC2CC(F)(F)C2)C1 ZINC000308852260 385216705 /nfs/dbraw/zinc/21/67/05/385216705.db2.gz DRNITKJJEAUMFP-IUCAKERBSA-N 0 3 214.259 2.456 10 30 BEEEHN CO[C@@]1(C)CCN[C@@H](c2ccc(C#N)cc2)C1 ZINC000584599230 385465429 /nfs/dbraw/zinc/46/54/29/385465429.db2.gz YTNNVDFOEBYUMZ-KGLIPLIRSA-N 0 3 230.311 2.388 10 30 BEEEHN C[C@H](N)C#Cc1cccc(Br)c1 ZINC000575493440 387273272 /nfs/dbraw/zinc/27/32/72/387273272.db2.gz NMUOLEVRORUWAO-QMMMGPOBSA-N 0 3 224.101 2.148 10 30 BEEEHN CC(C#N)C(=O)N[C@H]1CCCc2ccccc21 ZINC000051632515 387800418 /nfs/dbraw/zinc/80/04/18/387800418.db2.gz MYRYJZSCXXQKCS-GWCFXTLKSA-N 0 3 228.295 2.340 10 30 BEEEHN C#CCOc1c(CNC2CC2)cccc1OCC ZINC000037705022 388646662 /nfs/dbraw/zinc/64/66/62/388646662.db2.gz YCDKMDXLIFBXDJ-UHFFFAOYSA-N 0 3 245.322 2.349 10 30 BEEEHN CC#CCCN1CCO[C@@H]2CCCC[C@H]21 ZINC000248387786 135002026 /nfs/dbraw/zinc/00/20/26/135002026.db2.gz BVPDOTGSVMNYON-CHWSQXEVSA-N 0 3 207.317 2.043 10 30 BEEEHN C=CCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000248408013 135006392 /nfs/dbraw/zinc/00/63/92/135006392.db2.gz VBWAUTGGWCJIEB-CQSZACIVSA-N 0 3 216.328 2.161 10 30 BEEEHN CCCCCCN1CCCC[C@H]1/C(N)=N/O ZINC000070662772 135007166 /nfs/dbraw/zinc/00/71/66/135007166.db2.gz LXVBMCMXVFSUKQ-NSHDSACASA-N 0 3 227.352 2.168 10 30 BEEEHN N#CC1(CN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000337290987 135010356 /nfs/dbraw/zinc/01/03/56/135010356.db2.gz OEPXHJYQNFKNJX-MGPQQGTHSA-N 0 3 248.370 2.306 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1N[C@H]1CCCSC1 ZINC000250640701 135056822 /nfs/dbraw/zinc/05/68/22/135056822.db2.gz HCVQZWHJCKZIKI-GARJFASQSA-N 0 3 210.346 2.164 10 30 BEEEHN C[C@H]1CN2CCCC[C@H]2CN1CCCCC#N ZINC000252661853 135094511 /nfs/dbraw/zinc/09/45/11/135094511.db2.gz QIZUOCUILZZCJJ-KBPBESRZSA-N 0 3 235.375 2.239 10 30 BEEEHN COC1CCC(N[C@H]2CCC[C@@H]2C#N)CC1 ZINC000164258157 135218041 /nfs/dbraw/zinc/21/80/41/135218041.db2.gz DNZXOTKNKSLQTP-XVSSEFHLSA-N 0 3 222.332 2.226 10 30 BEEEHN Cc1ccc([C@H](C)NCCOCCC#N)o1 ZINC000294708436 135378363 /nfs/dbraw/zinc/37/83/63/135378363.db2.gz UZWLXQVSLOFSMU-NSHDSACASA-N 0 3 222.288 2.169 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1N[C@@H]1CCCSC1 ZINC000061892631 398107635 /nfs/dbraw/zinc/10/76/35/398107635.db2.gz HCVQZWHJCKZIKI-HBNTYKKESA-N 0 3 210.346 2.164 10 30 BEEEHN C#CCN[C@@H]1CCCc2cc(OC)ccc21 ZINC000019875675 166191112 /nfs/dbraw/zinc/19/11/12/166191112.db2.gz UEMXKIPADXVCKX-CQSZACIVSA-N 0 3 215.296 2.295 10 30 BEEEHN C#CCOc1ccc(CNC2CC2)cc1OCC ZINC000037486608 166198589 /nfs/dbraw/zinc/19/85/89/166198589.db2.gz SYVPQFWQHVFZFA-UHFFFAOYSA-N 0 3 245.322 2.349 10 30 BEEEHN C=CCC[C@H](NC(=O)[C@@H](C)N)c1ccccc1 ZINC000157800088 166301209 /nfs/dbraw/zinc/30/12/09/166301209.db2.gz HWWMQXLPIUHPDK-YPMHNXCESA-N 0 3 232.327 2.157 10 30 BEEEHN C=CCN(C(=O)[C@@H](N)[C@H](C)CC)C1CCCC1 ZINC000037817664 166311572 /nfs/dbraw/zinc/31/15/72/166311572.db2.gz UWIWCFCYQZDFJT-YPMHNXCESA-N 0 3 238.375 2.317 10 30 BEEEHN C=CCNCCOc1cccc(CC)c1 ZINC000003002664 166399595 /nfs/dbraw/zinc/39/95/95/166399595.db2.gz POXCAWFNOOKAMP-UHFFFAOYSA-N 0 3 205.301 2.403 10 30 BEEEHN CCNCc1c(C)nn(CCCCC#N)c1C ZINC000049578967 170124525 /nfs/dbraw/zinc/12/45/25/170124525.db2.gz QZDLSTTZIMTAMB-UHFFFAOYSA-N 0 3 234.347 2.303 10 30 BEEEHN CC[C@@](C)(O)CN(C)Cc1cccc(C#N)c1 ZINC000119384065 171178921 /nfs/dbraw/zinc/17/89/21/171178921.db2.gz LGSOKZALEHPMOG-CQSZACIVSA-N 0 3 232.327 2.151 10 30 BEEEHN CC[C@H](C)OCc1ccc(OC)c(C#CCN)c1 ZINC000049611106 171355194 /nfs/dbraw/zinc/35/51/94/171355194.db2.gz QHGRFPVDZQRWGI-LBPRGKRZSA-N 0 3 247.338 2.321 10 30 BEEEHN CN1CCC(c2cccc(C#N)c2)CC1 ZINC000075906151 173001042 /nfs/dbraw/zinc/00/10/42/173001042.db2.gz IWGJUMHBUSTSSD-UHFFFAOYSA-N 0 3 200.285 2.367 10 30 BEEEHN CN1CCC[C@@H](Nc2ccccc2C#N)C1 ZINC000040673584 173022350 /nfs/dbraw/zinc/02/23/50/173022350.db2.gz DXFCWRVLNVREFA-GFCCVEGCSA-N 0 3 215.300 2.064 10 30 BEEEHN CN1CCC[C@H](Nc2ccccc2C#N)C1 ZINC000040673583 173046091 /nfs/dbraw/zinc/04/60/91/173046091.db2.gz DXFCWRVLNVREFA-LBPRGKRZSA-N 0 3 215.300 2.064 10 30 BEEEHN CNCc1ccc(OC)cc1OCCCCC#N ZINC000049578353 173388713 /nfs/dbraw/zinc/38/87/13/173388713.db2.gz HFBVFESRWRGOOR-UHFFFAOYSA-N 0 3 248.326 2.487 10 30 BEEEHN COCCCN(C)[C@@H]1C[C@@H](C)CC[C@H]1C#N ZINC000062031469 174220186 /nfs/dbraw/zinc/22/01/86/174220186.db2.gz KKAQJFIZMAPTQV-RWMBFGLXSA-N 0 3 224.348 2.283 10 30 BEEEHN COCCN([C@@H](C)C1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000042616470 174302933 /nfs/dbraw/zinc/30/29/33/174302933.db2.gz MJCCGZGQMLPVOM-IACUBPJLSA-N 0 3 236.359 2.426 10 30 BEEEHN C[C@@H](S)[C@@H]1NCCc2ccc(F)cc21 ZINC000083664474 176007087 /nfs/dbraw/zinc/00/70/87/176007087.db2.gz BJHWKRRPRARMDG-HQJQHLMTSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@H](CN[C@@H](CC#N)c1ccccc1)N(C)C ZINC000055018792 176683398 /nfs/dbraw/zinc/68/33/98/176683398.db2.gz DTSVIPAAJJTWPA-OCCSQVGLSA-N 0 3 231.343 2.181 10 30 BEEEHN C[C@H]1C[C@@H]1CN(C)Cc1sccc1C#CCO ZINC000104413755 177342362 /nfs/dbraw/zinc/34/23/62/177342362.db2.gz MDTZJJNRWVZRRY-WCQYABFASA-N 0 3 249.379 2.180 10 30 BEEEHN CCN1CCC[C@H](NCc2ccc(C#N)s2)C1 ZINC000135686133 325422728 /nfs/dbraw/zinc/42/27/28/325422728.db2.gz PNTKNXIUTVRWHO-NSHDSACASA-N 0 3 249.383 2.194 10 30 BEEEHN C=CC1CCN(C(=O)[C@@H](CCC)N(C)C)CC1 ZINC000154897106 326170777 /nfs/dbraw/zinc/17/07/77/326170777.db2.gz GBDQIFFIGHYUDG-CYBMUJFWSA-N 0 3 238.375 2.141 10 30 BEEEHN COc1ccc(CCN2CCC(=NO)CC2)cc1 ZINC000109450690 523949264 /nfs/dbraw/zinc/94/92/64/523949264.db2.gz LOQZQLNBCOXCCP-UHFFFAOYSA-N 0 3 248.326 2.164 10 30 BEEEHN N#CC(C(=O)CCC1CC1)c1ccccn1 ZINC000115903134 588935457 /nfs/dbraw/zinc/93/54/57/588935457.db2.gz BZSTUOIMEBPTPF-NSHDSACASA-N 0 3 214.268 2.448 10 30 BEEEHN CCCCO[C@@H](C)C(=O)C(C#N)c1ccccn1 ZINC000103638059 586171806 /nfs/dbraw/zinc/17/18/06/586171806.db2.gz WXULZUOKIMJQCU-NWDGAFQWSA-N 0 3 246.310 2.463 10 30 BEEEHN C#CCN(C)[C@@H]1C[C@@H](OCC)C12CCCC2 ZINC000121211907 589517840 /nfs/dbraw/zinc/51/78/40/589517840.db2.gz LGNARJBLENGEFE-CHWSQXEVSA-N 0 3 221.344 2.289 10 30 BEEEHN CCN(CC)CC#C[C@H](C)OC(=O)C1(C)CC1 ZINC000121647135 589524017 /nfs/dbraw/zinc/52/40/17/589524017.db2.gz NWLODLUQTBZQPK-LBPRGKRZSA-N 0 3 237.343 2.063 10 30 BEEEHN C=CCN(C)C[C@@H](O)c1ccccc1C ZINC000127140927 590575518 /nfs/dbraw/zinc/57/55/18/590575518.db2.gz MUKIKBNQOWXJRQ-CYBMUJFWSA-N 0 3 205.301 2.146 10 30 BEEEHN C=CCN1CCC[C@H]1[C@H](O)c1ccccc1 ZINC000210836144 591006357 /nfs/dbraw/zinc/00/63/57/591006357.db2.gz FCJFYXCQVUCDHQ-UONOGXRCSA-N 0 3 217.312 2.370 10 30 BEEEHN C#CCCCN1C[C@@H]2CCCCN2C[C@H]1CC ZINC000300409567 592511701 /nfs/dbraw/zinc/51/17/01/592511701.db2.gz IUDMLGQUSYOAIU-CABCVRRESA-N 0 3 234.387 2.349 10 30 BEEEHN CCCCOCCNCC#Cc1ccccc1 ZINC000051814234 631936999 /nfs/dbraw/zinc/93/69/99/631936999.db2.gz NXBVTNPPAJNNOT-UHFFFAOYSA-N 0 3 231.339 2.444 10 30 BEEEHN CO[C@H]1CCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000050373705 643690518 /nfs/dbraw/zinc/69/05/18/643690518.db2.gz FHHGOMHEOLBSOC-KBPBESRZSA-N 0 3 248.301 2.354 10 30 BEEEHN CO[C@H]1CCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000050373701 643690933 /nfs/dbraw/zinc/69/09/33/643690933.db2.gz HUTAUTMNMQLHAP-KBPBESRZSA-N 0 3 248.301 2.354 10 30 BEEEHN Cc1ccc([C@H](C)NCCO[C@H](C)C#N)o1 ZINC000304277016 644883963 /nfs/dbraw/zinc/88/39/63/644883963.db2.gz WQFLCVMBAIEOET-MNOVXSKESA-N 0 3 222.288 2.167 10 30 BEEEHN CSC[C@@H](C)NCC#Cc1ccccc1 ZINC000127470301 1167403855 /nfs/dbraw/zinc/40/38/55/1167403855.db2.gz KCUGBBGSWSIQBQ-GFCCVEGCSA-N 0 3 219.353 2.379 10 30 BEEEHN C=CCCC[C@H](C)NCc1nccn1C ZINC000133577036 1167517449 /nfs/dbraw/zinc/51/74/49/1167517449.db2.gz MWZWVVCTENPWNP-NSHDSACASA-N 0 3 207.321 2.255 10 30 BEEEHN C=C([C@H](N)c1cccnc1)C(F)(F)F ZINC000306261381 398138599 /nfs/dbraw/zinc/13/85/99/398138599.db2.gz WAWZKKHGSOVSJE-QMMMGPOBSA-N 0 3 202.179 2.200 10 30 BEEEHN C=CCOc1ccccc1CN[C@H](CC)CO ZINC000006542152 136214681 /nfs/dbraw/zinc/21/46/81/136214681.db2.gz CYITVNKEMYVHFY-CYBMUJFWSA-N 0 3 235.327 2.112 10 30 BEEEHN C=C(C)[C@@H](N)c1ccc(Br)cn1 ZINC000133140436 398322924 /nfs/dbraw/zinc/32/29/24/398322924.db2.gz MBCAQWSWRQJAOQ-SECBINFHSA-N 0 3 227.105 2.420 10 30 BEEEHN CC(C#N)C(=O)N1CCC(c2nccs2)CC1 ZINC000335909366 136261485 /nfs/dbraw/zinc/26/14/85/136261485.db2.gz DALSRJPUSQWOFO-VIFPVBQESA-N 0 3 249.339 2.009 10 30 BEEEHN C=CCOc1ccccc1CNCCCOC ZINC000034990898 358452211 /nfs/dbraw/zinc/45/22/11/358452211.db2.gz RWQPZFNHURXHKB-UHFFFAOYSA-N 0 3 235.327 2.378 10 30 BEEEHN CCN1CCC[C@H](Nc2nc(C)ccc2C#N)C1 ZINC000043395625 343062725 /nfs/dbraw/zinc/06/27/25/343062725.db2.gz CDOWFZQBPNMJHZ-ZDUSSCGKSA-N 0 3 244.342 2.158 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NCCC1CCOCC1 ZINC000310163724 343358145 /nfs/dbraw/zinc/35/81/45/343358145.db2.gz RBCOXDSQJDYLEM-KBPBESRZSA-N 0 3 236.359 2.475 10 30 BEEEHN CC[C@H](COC)N[C@@H]1CCCC[C@H]1C#N ZINC000251099381 343561172 /nfs/dbraw/zinc/56/11/72/343561172.db2.gz QWSLRFXAJDPURM-QJPTWQEYSA-N 0 3 210.321 2.083 10 30 BEEEHN C=C(Br)CN[C@@H]1CC[C@H]2C[C@H]21 ZINC000306264650 343758327 /nfs/dbraw/zinc/75/83/27/343758327.db2.gz CMCLSZOSAMAIBH-DJLDLDEBSA-N 0 3 216.122 2.283 10 30 BEEEHN CC(C)(C=O)CN1CCc2sccc2C1 ZINC000051175511 346975371 /nfs/dbraw/zinc/97/53/71/346975371.db2.gz SJFIRZTZYSQDEU-UHFFFAOYSA-N 0 3 223.341 2.331 10 30 BEEEHN C#CC[C@H](N)c1coc(Br)c1 ZINC000306999952 343897563 /nfs/dbraw/zinc/89/75/63/343897563.db2.gz BPDHTJIREYJRGJ-ZETCQYMHSA-N 0 3 214.062 2.065 10 30 BEEEHN C#CC[C@@H](N)c1ccoc1Br ZINC000236316167 344355172 /nfs/dbraw/zinc/35/51/72/344355172.db2.gz NLXDVRPLYWXXFN-SSDOTTSWSA-N 0 3 214.062 2.065 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)[C@H]1CCCO1 ZINC000054825179 344457052 /nfs/dbraw/zinc/45/70/52/344457052.db2.gz LQBOHJZSPYTTJS-UMSGYPCISA-N 0 3 222.332 2.226 10 30 BEEEHN N#Cc1ccc(CN[C@H]2CCC[C@H](O)C2)s1 ZINC000135497485 344488607 /nfs/dbraw/zinc/48/86/07/344488607.db2.gz KBSRQOYOLBYTKJ-UWVGGRQHSA-N 0 3 236.340 2.013 10 30 BEEEHN C[C@@H](N)C#Cc1cccc(Br)c1F ZINC000235147534 344813414 /nfs/dbraw/zinc/81/34/14/344813414.db2.gz PKYVJMPITOBGSL-SSDOTTSWSA-N 0 3 242.091 2.287 10 30 BEEEHN CC#CCCN1CCC(c2ccnn2C)CC1 ZINC000155335745 345077779 /nfs/dbraw/zinc/07/77/79/345077779.db2.gz VRVOOQLWSYFNLP-UHFFFAOYSA-N 0 3 231.343 2.013 10 30 BEEEHN CO[C@@H]1CCC[C@H](N[C@@H]2CCC[C@H]2C#N)C1 ZINC000300214669 345338717 /nfs/dbraw/zinc/33/87/17/345338717.db2.gz ULAFTRGBZIMZMX-WUHRBBMRSA-N 0 3 222.332 2.226 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921459 345714419 /nfs/dbraw/zinc/71/44/19/345714419.db2.gz CVCULQPVWGKGII-SJHCENCUSA-N 0 3 204.317 2.457 10 30 BEEEHN C=C(Br)CN[C@H]1CCCCC[C@H]1O ZINC000164063631 345778349 /nfs/dbraw/zinc/77/83/49/345778349.db2.gz BJCBDUNPNVSCSL-VHSXEESVSA-N 0 3 248.164 2.178 10 30 BEEEHN C[C@@H](N)C#Cc1cc(Br)ccc1F ZINC000167002180 346179011 /nfs/dbraw/zinc/17/90/11/346179011.db2.gz XRUBBPWSPZJCRC-SSDOTTSWSA-N 0 3 242.091 2.287 10 30 BEEEHN COc1ccc(C#C[C@@H](C)N)cc1Cl ZINC000167016972 346183325 /nfs/dbraw/zinc/18/33/25/346183325.db2.gz FBFXVXRSQKMKAH-MRVPVSSYSA-N 0 3 209.676 2.047 10 30 BEEEHN C#CCNCc1ccc(OC(F)(F)F)cc1 ZINC000020033289 187370410 /nfs/dbraw/zinc/37/04/10/187370410.db2.gz KFAFXDIAKIZXSX-UHFFFAOYSA-N 0 3 229.201 2.308 10 30 BEEEHN C#C[C@@H](N)c1ccc(F)c(Br)c1 ZINC000169237347 346757397 /nfs/dbraw/zinc/75/73/97/346757397.db2.gz FMHGWPNNZFDDSS-SECBINFHSA-N 0 3 228.064 2.221 10 30 BEEEHN CCN1CCC[C@@H]1CN(C)Cc1ccc(C#N)o1 ZINC000123396122 347138864 /nfs/dbraw/zinc/13/88/64/347138864.db2.gz RKMMZHYXVMARPP-GFCCVEGCSA-N 0 3 247.342 2.067 10 30 BEEEHN COC1(CCN[C@H]2CCC[C@H]2C#N)CCC1 ZINC000310537568 347293748 /nfs/dbraw/zinc/29/37/48/347293748.db2.gz BCRFCWWLUGMBPN-RYUDHWBXSA-N 0 3 222.332 2.227 10 30 BEEEHN C=CCC(CC=C)C(=O)N1CCN2CCC[C@@H]2C1 ZINC000177101855 187391149 /nfs/dbraw/zinc/39/11/49/187391149.db2.gz BBWPLLGMEROGGQ-CQSZACIVSA-N 0 3 248.370 2.061 10 30 BEEEHN CO[C@H](CN[C@@H]1CCCC[C@@H]1C#N)C1CCC1 ZINC000595689258 348314776 /nfs/dbraw/zinc/31/47/76/348314776.db2.gz KSWUBDBLXDPXIM-MGPQQGTHSA-N 0 3 236.359 2.473 10 30 BEEEHN OC[C@@H]1CCCCN(CC#Cc2ccccc2)C1 ZINC000365272657 350201174 /nfs/dbraw/zinc/20/11/74/350201174.db2.gz XVWAOMBEMIQLAO-MRXNPFEDSA-N 0 3 243.350 2.133 10 30 BEEEHN Cc1ccc(Cl)c(NC(=N)N)c1Cl ZINC000052091849 350917235 /nfs/dbraw/zinc/91/72/35/350917235.db2.gz QFNJWLRTAZXSDC-UHFFFAOYSA-N 0 3 218.087 2.207 10 30 BEEEHN C#Cc1nc(CNC(C)(C)C)sc1C ZINC000159708785 350980871 /nfs/dbraw/zinc/98/08/71/350980871.db2.gz WZCANBVMKNWRIO-UHFFFAOYSA-N 0 3 208.330 2.321 10 30 BEEEHN CCCCCCCCNC(=O)[C@@H](N)C(C)C ZINC000106208978 168652242 /nfs/dbraw/zinc/65/22/42/168652242.db2.gz JXXSJRNJJUTLGV-LBPRGKRZSA-N 0 3 228.380 2.446 10 30 BEEEHN C=CCN[C@H](C)c1ccc2c(c1)OCO2 ZINC000019875864 191129591 /nfs/dbraw/zinc/12/95/91/191129591.db2.gz RUSKLUUUWSUSGA-SECBINFHSA-N 0 3 205.257 2.252 10 30 BEEEHN C#CC[C@H](NC)c1coc(Br)c1 ZINC000306810273 351063766 /nfs/dbraw/zinc/06/37/66/351063766.db2.gz UDEMZLPDXVXPBY-QMMMGPOBSA-N 0 3 228.089 2.326 10 30 BEEEHN CC(C)(C)N1CCN[C@@H](c2ccccc2C#N)C1 ZINC000616632062 351109871 /nfs/dbraw/zinc/10/98/71/351109871.db2.gz KWGGEFZQRGWHLG-CQSZACIVSA-N 0 3 243.354 2.303 10 30 BEEEHN CC(C)(C)N1CCN[C@@H](c2cccc(C#N)c2)C1 ZINC000616632641 351112240 /nfs/dbraw/zinc/11/22/40/351112240.db2.gz USEAGHRFBDZRRT-CQSZACIVSA-N 0 3 243.354 2.303 10 30 BEEEHN N#Cc1ccccc1[C@H]1CCCCCN1CCO ZINC000616624056 351090901 /nfs/dbraw/zinc/09/09/01/351090901.db2.gz WBBMMDAOFUEFJS-OAHLLOKOSA-N 0 3 244.338 2.468 10 30 BEEEHN N#Cc1ccccc1[C@H]1CCCCN(CCO)C1 ZINC000616629064 351099239 /nfs/dbraw/zinc/09/92/39/351099239.db2.gz NXBTWOTUCYZBGB-AWEZNQCLSA-N 0 3 244.338 2.120 10 30 BEEEHN CC(C)N1CCOC[C@H](c2ccc(C#N)cc2)C1 ZINC000616661460 351209736 /nfs/dbraw/zinc/20/97/36/351209736.db2.gz SIOYHZGLBRVRKX-OAHLLOKOSA-N 0 3 244.338 2.382 10 30 BEEEHN CO[C@@H]1CCC[C@H](N[C@H]2CCC[C@H]2C#N)C1 ZINC000300214668 352557054 /nfs/dbraw/zinc/55/70/54/352557054.db2.gz ULAFTRGBZIMZMX-RVMXOQNASA-N 0 3 222.332 2.226 10 30 BEEEHN C[C@H](C#N)Oc1cccc(CN)c1Cl ZINC000307572880 352658273 /nfs/dbraw/zinc/65/82/73/352658273.db2.gz FLTTUWGFRNUOPW-SSDOTTSWSA-N 0 3 210.664 2.090 10 30 BEEEHN C=CCCC(C)(C)CNC(=O)[C@H](N)[C@H](C)CC ZINC000638875432 353041899 /nfs/dbraw/zinc/04/18/99/353041899.db2.gz SUTOETGBZGXAKD-VXGBXAGGSA-N 0 3 240.391 2.468 10 30 BEEEHN C=CCNC[C@H](O)c1ccc(Cl)cc1 ZINC000032012602 188181641 /nfs/dbraw/zinc/18/16/41/188181641.db2.gz IAMMUIKUYMTXLJ-NSHDSACASA-N 0 3 211.692 2.149 10 30 BEEEHN CC(C)N(C)Cc1ccc(F)cc1C#CCCO ZINC000049616538 188218722 /nfs/dbraw/zinc/21/87/22/188218722.db2.gz POAQVGWSAGIRFC-UHFFFAOYSA-N 0 3 249.329 2.400 10 30 BEEEHN C=CCCN(C)[C@@H]1CCN(c2ccccc2)C1=O ZINC000133045215 353396307 /nfs/dbraw/zinc/39/63/07/353396307.db2.gz MLIQGPRPPUHFOB-CQSZACIVSA-N 0 3 244.338 2.300 10 30 BEEEHN Fc1ccc2c(c1)[C@H](CCS)NCC2 ZINC000083664483 180989227 /nfs/dbraw/zinc/98/92/27/180989227.db2.gz VSSABXJGSTTXPG-NSHDSACASA-N 0 3 211.305 2.332 10 30 BEEEHN N#C[C@@H]1CCCCC[C@H]1NC[C@@H]1CCCOC1 ZINC000054825918 181058869 /nfs/dbraw/zinc/05/88/69/181058869.db2.gz JWUQAIQZTFOMTN-MELADBBJSA-N 0 3 236.359 2.475 10 30 BEEEHN N#CC(C(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000050963787 181062694 /nfs/dbraw/zinc/06/26/94/181062694.db2.gz UZOKIGHKBLLSTN-QWHCGFSZSA-N 0 3 229.279 2.432 10 30 BEEEHN CCN1CCC[C@@H](Nc2nccc(C)c2C#N)C1 ZINC000211622969 354458454 /nfs/dbraw/zinc/45/84/54/354458454.db2.gz AKCQVWLSXAOZQZ-GFCCVEGCSA-N 0 3 244.342 2.158 10 30 BEEEHN CO[C@](C)(CN[C@@H]1CCCC[C@@H]1C#N)C1CC1 ZINC000383658241 354803833 /nfs/dbraw/zinc/80/38/33/354803833.db2.gz FUNSFEFARSGJFX-MRVWCRGKSA-N 0 3 236.359 2.473 10 30 BEEEHN [NH2+]=C(C[S-])NC[C@@]12CC[C@@H](C1)CCC2 ZINC000169328517 181185351 /nfs/dbraw/zinc/18/53/51/181185351.db2.gz ADZPTHZLBSINMQ-ONGXEEELSA-N 0 3 212.362 2.453 10 30 BEEEHN C[C@@H]1C[C@H](CN[C@H]2CCCC[C@H]2C#N)CCO1 ZINC000388655090 357094791 /nfs/dbraw/zinc/09/47/91/357094791.db2.gz FJVKRGLYJBPRRE-MQYQWHSLSA-N 0 3 236.359 2.473 10 30 BEEEHN N#CCC1(CN2CC[C@@]3(O)CCCC[C@H]3C2)CC1 ZINC000160623409 357140262 /nfs/dbraw/zinc/14/02/62/357140262.db2.gz RIXRMAHQWJLROV-ZFWWWQNUSA-N 0 3 248.370 2.307 10 30 BEEEHN CC#CCCN1C[C@H]2CCCCN2C[C@@H]1CC ZINC000159344330 538876786 /nfs/dbraw/zinc/87/67/86/538876786.db2.gz QYKFPTLQTHVFJH-LSDHHAIUSA-N 0 3 234.387 2.349 10 30 BEEEHN C[C@H](N[C@@H]1CCC[C@@H]1C#N)C1CCOCC1 ZINC000235513086 357873925 /nfs/dbraw/zinc/87/39/25/357873925.db2.gz HMWOCMYHGGFSFN-CYZMBNFOSA-N 0 3 222.332 2.083 10 30 BEEEHN C=C[C@](C)(CC)C(=O)N[C@H]1CCCN(CC)C1 ZINC000134973825 358813387 /nfs/dbraw/zinc/81/33/87/358813387.db2.gz CQDMHIDKYMMRLO-GXTWGEPZSA-N 0 3 238.375 2.189 10 30 BEEEHN C=C(C)[C@@H](CO)N[C@@H](C)c1cccs1 ZINC000308562173 491137123 /nfs/dbraw/zinc/13/71/23/491137123.db2.gz FXNIUWYGLKCVOE-VHSXEESVSA-N 0 3 211.330 2.336 10 30 BEEEHN C#C[C@H](N)c1cccc(Br)c1C ZINC000130238453 358974189 /nfs/dbraw/zinc/97/41/89/358974189.db2.gz PRVBPRMMCRBCMN-JTQLQIEISA-N 0 3 224.101 2.391 10 30 BEEEHN C#CCN1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247534165 359231420 /nfs/dbraw/zinc/23/14/20/359231420.db2.gz OMVBQGQPSRVXSR-LSDHHAIUSA-N 0 3 229.323 2.208 10 30 BEEEHN C[C@H]1c2ccsc2CCN1CC[C@H]1CO1 ZINC000306600877 360528219 /nfs/dbraw/zinc/52/82/19/360528219.db2.gz ACQVTXBHRYDNJC-UWVGGRQHSA-N 0 3 223.341 2.456 10 30 BEEEHN CCOC(=O)C(C=O)c1ccc(Cl)cc1 ZINC000039414614 360613654 /nfs/dbraw/zinc/61/36/54/360613654.db2.gz XAAPLYUHKZIFDM-SNVBAGLBSA-N 0 3 226.659 2.186 10 30 BEEEHN C#CC[C@H](N)c1cc(Br)oc1C ZINC000306622401 361235488 /nfs/dbraw/zinc/23/54/88/361235488.db2.gz WKFTTWKLNOPSTM-QMMMGPOBSA-N 0 3 228.089 2.374 10 30 BEEEHN N#Cc1ccc(OCCN2C[C@H]3CCC[C@@H]32)cc1 ZINC000435198408 201254534 /nfs/dbraw/zinc/25/45/34/201254534.db2.gz YHFUREAASMGSQR-HIFRSBDPSA-N 0 3 242.322 2.421 10 30 BEEEHN NCC#Cc1cccc(COC2CCCC2)c1 ZINC000049610338 181345851 /nfs/dbraw/zinc/34/58/51/181345851.db2.gz KNOSDBROWZRQAQ-UHFFFAOYSA-N 0 3 229.323 2.456 10 30 BEEEHN NCC#Cc1ccc(COC2CCCC2)cc1 ZINC000049610332 181346774 /nfs/dbraw/zinc/34/67/74/181346774.db2.gz HWIXZVTUSVABQQ-UHFFFAOYSA-N 0 3 229.323 2.456 10 30 BEEEHN NCC#Cc1cccc(Cl)c1Cl ZINC000037470971 181346874 /nfs/dbraw/zinc/34/68/74/181346874.db2.gz VHKJVVLOKNZGBI-UHFFFAOYSA-N 0 3 200.068 2.304 10 30 BEEEHN NCC#Cc1cc(F)ccc1COCC1CC1 ZINC000049610852 181346616 /nfs/dbraw/zinc/34/66/16/181346616.db2.gz DVVJYDXHVMWKIW-UHFFFAOYSA-N 0 3 233.286 2.063 10 30 BEEEHN C=C1CCN(Cc2ccccc2)[C@@H](CO)C1 ZINC000114151986 368927521 /nfs/dbraw/zinc/92/75/21/368927521.db2.gz RIVIVBOYCOXKID-CQSZACIVSA-N 0 3 217.312 2.200 10 30 BEEEHN CCN(C[C@H](C)C#N)C[C@H]1CCC[C@@H](O)C1 ZINC000309721119 370249186 /nfs/dbraw/zinc/24/91/86/370249186.db2.gz BTXVLHHAZDSBRA-FRRDWIJNSA-N 0 3 224.348 2.019 10 30 BEEEHN CC1(C)C[C@H](N[C@H]2CCC[C@@H]2C#N)CCO1 ZINC000069891098 370993571 /nfs/dbraw/zinc/99/35/71/370993571.db2.gz CWCJTXBADYTXAU-UTUOFQBUSA-N 0 3 222.332 2.226 10 30 BEEEHN CNCc1ccc(Br)cc1C#N ZINC000216331134 371742764 /nfs/dbraw/zinc/74/27/64/371742764.db2.gz OLDSCJCWDGUALQ-UHFFFAOYSA-N 0 3 225.089 2.040 10 30 BEEEHN C[C@@]1(C(=O)Nc2cccc(C#N)c2)CCCCN1 ZINC000133070312 371981576 /nfs/dbraw/zinc/98/15/76/371981576.db2.gz VBHWNCUHQRDLPH-AWEZNQCLSA-N 0 3 243.310 2.029 10 30 BEEEHN CCCCOCCOc1cccc(C#CCN)c1 ZINC000049264248 168905352 /nfs/dbraw/zinc/90/53/52/168905352.db2.gz TYUKMDSDGNWXGF-UHFFFAOYSA-N 0 3 247.338 2.192 10 30 BEEEHN OCCC#Cc1ccc(CN2CCCC2)c(F)c1 ZINC000049615579 183042900 /nfs/dbraw/zinc/04/29/00/183042900.db2.gz LKBVGYFJZHINAB-UHFFFAOYSA-N 0 3 247.313 2.155 10 30 BEEEHN OCC#Cc1ccc(CN2CCCCC2)s1 ZINC000043679213 183031968 /nfs/dbraw/zinc/03/19/68/183031968.db2.gz XUIKIFBNVPFMIL-UHFFFAOYSA-N 0 3 235.352 2.078 10 30 BEEEHN OCC#Cc1ccccc1CN1CCCCC1 ZINC000049616744 183033275 /nfs/dbraw/zinc/03/32/75/183033275.db2.gz ZFXKMVHCWFIIPV-UHFFFAOYSA-N 0 3 229.323 2.016 10 30 BEEEHN CCCC[C@H](N)C(=O)Nc1ccc(CC#N)cc1 ZINC000037620306 169008022 /nfs/dbraw/zinc/00/80/22/169008022.db2.gz YQEDGHGDLSKIIB-ZDUSSCGKSA-N 0 3 245.326 2.209 10 30 BEEEHN CCC[C@@](C)(N)C(=O)Nc1sccc1C#N ZINC000040852073 169452579 /nfs/dbraw/zinc/45/25/79/169452579.db2.gz LSJWYBHZGCEEQY-LLVKDONJSA-N 0 3 237.328 2.076 10 30 BEEEHN C#CCCN1CCC[C@H](c2nccs2)C1 ZINC000371205558 533050930 /nfs/dbraw/zinc/05/09/30/533050930.db2.gz AGHKPIRICCWYBY-NSHDSACASA-N 0 3 220.341 2.346 10 30 BEEEHN N#Cc1cccc(CN2CCCC[C@H](CO)C2)c1 ZINC000363357552 384842384 /nfs/dbraw/zinc/84/23/84/384842384.db2.gz ZVQQTVMKFZGGIK-HNNXBMFYSA-N 0 3 244.338 2.153 10 30 BEEEHN N#CCCCCN1CC[C@@H](Oc2cccnc2)C1 ZINC000152276289 385042840 /nfs/dbraw/zinc/04/28/40/385042840.db2.gz NLAPSCNCYXONQX-CQSZACIVSA-N 0 3 245.326 2.229 10 30 BEEEHN C[C@H]1C[C@@](C#N)(NCc2ccccc2)CCN1C ZINC000156443569 385279070 /nfs/dbraw/zinc/27/90/70/385279070.db2.gz MCNUUXNXPPCDSP-ZFWWWQNUSA-N 0 3 243.354 2.153 10 30 BEEEHN C=CCN[C@@H]1c2ccccc2CC[C@@H]1CO ZINC000309528027 385663574 /nfs/dbraw/zinc/66/35/74/385663574.db2.gz BGJBZIMVHYJZIL-OCCSQVGLSA-N 0 3 217.312 2.058 10 30 BEEEHN C=CCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000019875881 386785702 /nfs/dbraw/zinc/78/57/02/386785702.db2.gz PIHRAXRUPLQGCY-JTQLQIEISA-N 0 3 219.284 2.294 10 30 BEEEHN C=C(C)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000245200005 387943461 /nfs/dbraw/zinc/94/34/61/387943461.db2.gz GPJYEGPIWXHKEN-XQQFMLRXSA-N 0 3 237.343 2.369 10 30 BEEEHN C[C@H]1CN2CCCC[C@@H]2CN1CCCCC#N ZINC000083704481 388061219 /nfs/dbraw/zinc/06/12/19/388061219.db2.gz QIZUOCUILZZCJJ-UONOGXRCSA-N 0 3 235.375 2.239 10 30 BEEEHN CN(Cc1cc(C#N)cs1)CC1CC1 ZINC000122947766 388591150 /nfs/dbraw/zinc/59/11/50/388591150.db2.gz ZHHHGBAOUMRXGL-UHFFFAOYSA-N 0 3 206.314 2.462 10 30 BEEEHN C[C@@H]1C[C@@H](N[C@@H]2CCC[C@@H]2C#N)C[C@H](C)O1 ZINC000251710130 388751539 /nfs/dbraw/zinc/75/15/39/388751539.db2.gz BPHSKBDYLYXLKL-NZEXEKPDSA-N 0 3 222.332 2.224 10 30 BEEEHN C[C@@H]1CN(CC(C)(C)CCC#N)C[C@@H](C)O1 ZINC000127043006 388712638 /nfs/dbraw/zinc/71/26/38/388712638.db2.gz URVMVWCUTOKXAQ-VXGBXAGGSA-N 0 3 224.348 2.426 10 30 BEEEHN CC#CCCN1CCO[C@H]2CCCC[C@H]21 ZINC000248387788 135001380 /nfs/dbraw/zinc/00/13/80/135001380.db2.gz BVPDOTGSVMNYON-OLZOCXBDSA-N 0 3 207.317 2.043 10 30 BEEEHN N#CC1(CN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000337290988 135011023 /nfs/dbraw/zinc/01/10/23/135011023.db2.gz OEPXHJYQNFKNJX-MJBXVCDLSA-N 0 3 248.370 2.306 10 30 BEEEHN C#CCSCCN[C@H](COC)c1ccccc1 ZINC000231934453 135641808 /nfs/dbraw/zinc/64/18/08/135641808.db2.gz PIRFSLKJOCECQY-CQSZACIVSA-N 0 3 249.379 2.330 10 30 BEEEHN N#C[C@H]1CCC[C@H]1NC1Cc2ccccc2C1 ZINC000061891894 398107925 /nfs/dbraw/zinc/10/79/25/398107925.db2.gz OWAOGFLJDCKCSG-UKRRQHHQSA-N 0 3 226.323 2.436 10 30 BEEEHN C#CCN(C)[C@H]1CCC2=C(CCCC2=O)C1 ZINC000027653889 166161723 /nfs/dbraw/zinc/16/17/23/166161723.db2.gz VSENRWBXNRWCMN-LBPRGKRZSA-N 0 3 217.312 2.154 10 30 BEEEHN C#CCN[C@@H](C)c1ccc(OCC)cc1 ZINC000019875551 166190738 /nfs/dbraw/zinc/19/07/38/166190738.db2.gz ZGXNGYRYCKPNRK-NSHDSACASA-N 0 3 203.285 2.369 10 30 BEEEHN C#CCN[C@H]1CCCc2cc(OC)ccc21 ZINC000019875674 166192786 /nfs/dbraw/zinc/19/27/86/166192786.db2.gz UEMXKIPADXVCKX-AWEZNQCLSA-N 0 3 215.296 2.295 10 30 BEEEHN C(#Cc1ccccc1)CNC[C@@H]1CCCCO1 ZINC000051814357 166226095 /nfs/dbraw/zinc/22/60/95/166226095.db2.gz HRZPSFDNSRQBFL-HNNXBMFYSA-N 0 3 229.323 2.197 10 30 BEEEHN C=CCN(CC=C)C[C@H]1Cc2ccccc2CN1 ZINC000020071305 166335965 /nfs/dbraw/zinc/33/59/65/166335965.db2.gz KKTGQMCFDOPFLA-MRXNPFEDSA-N 0 3 242.366 2.375 10 30 BEEEHN C=CCC1(NCc2nnc(CC)n2C)CCCC1 ZINC000661847629 411900825 /nfs/dbraw/zinc/90/08/25/411900825.db2.gz BGHPGPVWEUOYIA-UHFFFAOYSA-N 0 3 248.374 2.356 10 30 BEEEHN C=CC[C@@H]1CCCN(C(=O)[C@H](N)[C@@H](C)CC)C1 ZINC000662635817 412253083 /nfs/dbraw/zinc/25/30/83/412253083.db2.gz NKNOUBLKMHSLBP-YNEHKIRRSA-N 0 3 238.375 2.175 10 30 BEEEHN COc1ccc(C)cc1C1(C#N)CCNCC1 ZINC000071534760 175073982 /nfs/dbraw/zinc/07/39/82/175073982.db2.gz ALLXXSVKNBHREO-UHFFFAOYSA-N 0 3 230.311 2.148 10 30 BEEEHN C[C@@H]1CCN(Cc2ccc(F)c(C#CCO)c2)C1 ZINC000049613630 176173841 /nfs/dbraw/zinc/17/38/41/176173841.db2.gz CCDSIBPLVCNOLH-GFCCVEGCSA-N 0 3 247.313 2.011 10 30 BEEEHN C[C@H]1CCN(Cc2ccc(C#CCO)cc2F)C1 ZINC000049613621 177163667 /nfs/dbraw/zinc/16/36/67/177163667.db2.gz OMJVQWQKDSNCTH-LBPRGKRZSA-N 0 3 247.313 2.011 10 30 BEEEHN C[C@H]1CN=C(NCc2ccc(C#N)cc2)S1 ZINC000051354693 177282031 /nfs/dbraw/zinc/28/20/31/177282031.db2.gz PEYLQSGJRUBHCF-VIFPVBQESA-N 0 3 231.324 2.139 10 30 BEEEHN COC[C@@H](C)NCC#Cc1cccc(Cl)c1 ZINC000309465299 487971409 /nfs/dbraw/zinc/97/14/09/487971409.db2.gz PCJMUZILKZBHFU-LLVKDONJSA-N 0 3 237.730 2.316 10 30 BEEEHN OCC#Cc1csc(CN2CCCCC2)c1 ZINC000043698488 582806410 /nfs/dbraw/zinc/80/64/10/582806410.db2.gz OULQJUJJUBLCLD-UHFFFAOYSA-N 0 3 235.352 2.078 10 30 BEEEHN C=CCCC[C@@H](C)NC(=O)[C@](C)(N)CCC ZINC000262167477 534752577 /nfs/dbraw/zinc/75/25/77/534752577.db2.gz WGFIUHWAUDNKEJ-DGCLKSJQSA-N 0 3 226.364 2.365 10 30 BEEEHN C=CCN1CCC(Oc2ccc(C)cn2)CC1 ZINC000182839742 534847649 /nfs/dbraw/zinc/84/76/49/534847649.db2.gz BSKXOMQQLXHBOD-UHFFFAOYSA-N 0 3 232.327 2.419 10 30 BEEEHN C=CCN1C[C@H]2CCCCN2C[C@@H]1CC ZINC000086929560 534855009 /nfs/dbraw/zinc/85/50/09/534855009.db2.gz SNFBJEUJVGMCSM-QWHCGFSZSA-N 0 3 208.349 2.121 10 30 BEEEHN C#CCNCCSCc1ccc(Cl)o1 ZINC000757169275 586432488 /nfs/dbraw/zinc/43/24/88/586432488.db2.gz HIEFWKLMBBWEAA-UHFFFAOYSA-N 0 3 229.732 2.389 10 30 BEEEHN CCN(CC)CC#C[C@@H](C)OC(=O)C(C)(C)C ZINC000121541626 588109577 /nfs/dbraw/zinc/10/95/77/588109577.db2.gz CGOYANSHJQGGIU-GFCCVEGCSA-N 0 3 239.359 2.309 10 30 BEEEHN N#CC(C(=O)[C@@H]1C[C@H]2C[C@H]2C1)c1ccccn1 ZINC000250256234 644752128 /nfs/dbraw/zinc/75/21/28/644752128.db2.gz TZFDWIPXWRPFAH-USZNOCQGSA-N 0 3 226.279 2.304 10 30 BEEEHN CSC1CC(N[C@H]2CCC[C@H]2C#N)C1 ZINC000706929388 712161588 /nfs/dbraw/zinc/16/15/88/712161588.db2.gz SWLLSOWSSAJMRT-PMUOWJKOSA-N 0 3 210.346 2.162 10 30 BEEEHN CSC1CC(N[C@@H]2CCC[C@H]2C#N)C1 ZINC000706929386 712161916 /nfs/dbraw/zinc/16/19/16/712161916.db2.gz SWLLSOWSSAJMRT-IDWGSYCQSA-N 0 3 210.346 2.162 10 30 BEEEHN C=C(C)CN1CCC[C@@H](c2nncn2CC)C1 ZINC000161415566 349442828 /nfs/dbraw/zinc/44/28/28/349442828.db2.gz SMAWNLAJNIYCNL-GFCCVEGCSA-N 0 3 234.347 2.054 10 30 BEEEHN C=CCOc1ccccc1CN[C@@H](CC)CO ZINC000006541124 136214779 /nfs/dbraw/zinc/21/47/79/136214779.db2.gz CYITVNKEMYVHFY-ZDUSSCGKSA-N 0 3 235.327 2.112 10 30 BEEEHN CC(C)(N)C#Cc1occc1Br ZINC000069678807 342807665 /nfs/dbraw/zinc/80/76/65/342807665.db2.gz YETUTBPXAYPDAY-UHFFFAOYSA-N 0 3 228.089 2.131 10 30 BEEEHN C=C(Cl)CN[C@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000162587943 349758362 /nfs/dbraw/zinc/75/83/62/349758362.db2.gz RCUFVQHDIJPOLH-GUBZILKMSA-N 0 3 215.724 2.142 10 30 BEEEHN C#CC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000019875638 166192335 /nfs/dbraw/zinc/19/23/35/166192335.db2.gz GUJSMWVMZHZCQM-QWRGUYRKSA-N 0 3 215.296 2.472 10 30 BEEEHN CO[C@](C)(CN[C@@H]1CCC[C@H]1C#N)C1CC1 ZINC000381044270 343883902 /nfs/dbraw/zinc/88/39/02/343883902.db2.gz GSVLCWULLXUTBH-CYZMBNFOSA-N 0 3 222.332 2.083 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NCC[C@@H]1CCCO1 ZINC000054826046 344471891 /nfs/dbraw/zinc/47/18/91/344471891.db2.gz BZFKZFNHSUASSY-RWMBFGLXSA-N 0 3 222.332 2.227 10 30 BEEEHN N#C[C@H]1CCCC[C@H]1NCCc1cccnc1 ZINC000054825549 344471919 /nfs/dbraw/zinc/47/19/19/344471919.db2.gz FHCLCHXVTYIPHD-ZIAGYGMSSA-N 0 3 229.327 2.296 10 30 BEEEHN N#Cc1ccc(CN[C@@H]2CCC[C@@H](O)C2)s1 ZINC000135497507 344488708 /nfs/dbraw/zinc/48/87/08/344488708.db2.gz KBSRQOYOLBYTKJ-NXEZZACHSA-N 0 3 236.340 2.013 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)[C@H]1CCOC1 ZINC000158523953 344670699 /nfs/dbraw/zinc/67/06/99/344670699.db2.gz NAIQZMJLGPNMQP-QNWHQSFQSA-N 0 3 222.332 2.083 10 30 BEEEHN C=C[C@@H](N)c1cccnc1C(F)(F)F ZINC000238575357 345079199 /nfs/dbraw/zinc/07/91/99/345079199.db2.gz ATRRPFUIKGHRFB-SSDOTTSWSA-N 0 3 202.179 2.286 10 30 BEEEHN COc1cc(C#N)ccc1OC[C@@H]1CCCN1C ZINC000114019957 345755875 /nfs/dbraw/zinc/75/58/75/345755875.db2.gz UEUHYDRBEWALMW-LBPRGKRZSA-N 0 3 246.310 2.040 10 30 BEEEHN C=C(C)C[C@@H](N)c1cccc2c1OCCO2 ZINC000163974546 345781602 /nfs/dbraw/zinc/78/16/02/345781602.db2.gz KPHCFVROCGNLQL-LLVKDONJSA-N 0 3 219.284 2.424 10 30 BEEEHN C([C@H]1CO1)N1CCC2(CCCCC2)CC1 ZINC000061819894 345953002 /nfs/dbraw/zinc/95/30/02/345953002.db2.gz SXKGCKYQGNEFOK-LBPRGKRZSA-N 0 3 209.333 2.432 10 30 BEEEHN [O-]/[N+](=C\c1ccncc1)CC1CCCCC1 ZINC000225442209 370652420 /nfs/dbraw/zinc/65/24/20/370652420.db2.gz LZOWHVWWUGMOQK-PTNGSMBKSA-N 0 3 219.308 2.483 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[C@H](O)C1 ZINC000300698665 347378709 /nfs/dbraw/zinc/37/87/09/347378709.db2.gz LNOPFKHBCDIRHN-XUXIUFHCSA-N 0 3 236.359 2.209 10 30 BEEEHN CC#CCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000090919509 133664506 /nfs/dbraw/zinc/66/45/06/133664506.db2.gz DBGWCSPKKYJURA-NSHDSACASA-N 0 3 231.295 2.132 10 30 BEEEHN CCSCCN[C@@H]1CCCC[C@H]1C#N ZINC000308540388 347822585 /nfs/dbraw/zinc/82/25/85/347822585.db2.gz NSCFCMUEYNBSDZ-WDEREUQCSA-N 0 3 212.362 2.411 10 30 BEEEHN Cc1ccccc1NC1(C#N)CCNCC1 ZINC000040695155 179303684 /nfs/dbraw/zinc/30/36/84/179303684.db2.gz WAOKZBQRYBATDS-UHFFFAOYSA-N 0 3 215.300 2.053 10 30 BEEEHN COC(C)(C)CCN[C@H]1CCCC[C@@H]1C#N ZINC000595688234 348313898 /nfs/dbraw/zinc/31/38/98/348313898.db2.gz CZXKDRCMZZSVEQ-NEPJUHHUSA-N 0 3 224.348 2.473 10 30 BEEEHN CO[C@H](CN[C@H]1CCCC[C@@H]1C#N)C1CCC1 ZINC000595689255 348315051 /nfs/dbraw/zinc/31/50/51/348315051.db2.gz KSWUBDBLXDPXIM-HZSPNIEDSA-N 0 3 236.359 2.473 10 30 BEEEHN C=CCCCN1CCC[C@H](NC(=O)C(C)C)C1 ZINC000117876901 350226771 /nfs/dbraw/zinc/22/67/71/350226771.db2.gz WMWFTEIUHDGPOA-ZDUSSCGKSA-N 0 3 238.375 2.189 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NCC[C@@H]1CCOC1 ZINC000236172341 350731180 /nfs/dbraw/zinc/73/11/80/350731180.db2.gz GQBWABPKHNOAHS-FRRDWIJNSA-N 0 3 222.332 2.085 10 30 BEEEHN CC(C)(C)N1CCN[C@@H](c2ccc(C#N)cc2)C1 ZINC000616632653 351112359 /nfs/dbraw/zinc/11/23/59/351112359.db2.gz VTAZMGCEIBLGKJ-CQSZACIVSA-N 0 3 243.354 2.303 10 30 BEEEHN N#Cc1ccccc1[C@@H]1CCCCCN1CCO ZINC000616625782 351094461 /nfs/dbraw/zinc/09/44/61/351094461.db2.gz WBBMMDAOFUEFJS-HNNXBMFYSA-N 0 3 244.338 2.468 10 30 BEEEHN CC(C)(C)N1CCNC[C@H]1c1ccccc1C#N ZINC000616637884 351136696 /nfs/dbraw/zinc/13/66/96/351136696.db2.gz RRRHGILKQVVPGR-AWEZNQCLSA-N 0 3 243.354 2.303 10 30 BEEEHN C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C#N)CS1 ZINC000086935908 352747555 /nfs/dbraw/zinc/74/75/55/352747555.db2.gz BWBUGKDQRXPXNI-CHWFTXMASA-N 0 3 210.346 2.162 10 30 BEEEHN C#CCOc1ccccc1CN[C@H]1C[C@H]1C ZINC000052272479 353192577 /nfs/dbraw/zinc/19/25/77/353192577.db2.gz STATYGXDTLHLPL-YPMHNXCESA-N 0 3 215.296 2.197 10 30 BEEEHN C=C(C)COc1cc2c(cc1CNC)OCO2 ZINC000042874208 188216809 /nfs/dbraw/zinc/21/68/09/188216809.db2.gz HIAHVTUKRRIXMN-UHFFFAOYSA-N 0 3 235.283 2.090 10 30 BEEEHN C=CCn1c(N)c(C2CCOCC2)nc1CCC ZINC000103545296 188225205 /nfs/dbraw/zinc/22/52/05/188225205.db2.gz FCHLMPKVLIGXQU-UHFFFAOYSA-N 0 3 249.358 2.498 10 30 BEEEHN C=CCOCCN[C@H]1CCc2c1cccc2O ZINC000296598763 353825471 /nfs/dbraw/zinc/82/54/71/353825471.db2.gz GATUPPPSKQUVEX-ZDUSSCGKSA-N 0 3 233.311 2.172 10 30 BEEEHN N#CCCN([C@@H](CN)c1ccc(F)cc1)C1CC1 ZINC000042915612 181037348 /nfs/dbraw/zinc/03/73/48/181037348.db2.gz MRKUPNAKQVLAAI-AWEZNQCLSA-N 0 3 247.317 2.204 10 30 BEEEHN N#CC(C(=O)[C@H]1CCCOC1)c1cccc(F)c1 ZINC000062235990 181053991 /nfs/dbraw/zinc/05/39/91/181053991.db2.gz GCDICTXDKLDVDY-WCQYABFASA-N 0 3 247.269 2.429 10 30 BEEEHN N#C[C@H]1CCCC[C@@H]1NCCN1CCCCC1 ZINC000054827342 181067964 /nfs/dbraw/zinc/06/79/64/181067964.db2.gz CMFCFLBHCFUQSR-KGLIPLIRSA-N 0 3 235.375 2.144 10 30 BEEEHN N#C[C@H]1CCC[C@@H]1NC1CCSCC1 ZINC000061891892 181069343 /nfs/dbraw/zinc/06/93/43/181069343.db2.gz MLGMXVKHBHOPBO-KOLCDFICSA-N 0 3 210.346 2.164 10 30 BEEEHN N#C[C@H]1CCC[C@H]1NC1CCSCC1 ZINC000061891890 181070142 /nfs/dbraw/zinc/07/01/42/181070142.db2.gz MLGMXVKHBHOPBO-MWLCHTKSSA-N 0 3 210.346 2.164 10 30 BEEEHN N#Cc1ccc(CN(C[C@@H]2CCOC2)C2CC2)o1 ZINC000129955812 181102251 /nfs/dbraw/zinc/10/22/51/181102251.db2.gz YZBNHMPCDVZKBH-NSHDSACASA-N 0 3 246.310 2.152 10 30 BEEEHN N#Cc1ccccc1Nc1cc(N)ccn1 ZINC000043568729 181148799 /nfs/dbraw/zinc/14/87/99/181148799.db2.gz IHRVASFSVAMVEG-UHFFFAOYSA-N 0 3 210.240 2.279 10 30 BEEEHN N#Cc1ccccc1N[C@@H]1CN2CCC1CC2 ZINC000020077180 181149396 /nfs/dbraw/zinc/14/93/96/181149396.db2.gz CWHDVVZRXYZJDN-CQSZACIVSA-N 0 3 227.311 2.064 10 30 BEEEHN NC(=NNc1ccccc1)c1ccccc1 ZINC000005278349 181180442 /nfs/dbraw/zinc/18/04/42/181180442.db2.gz ZOBKPJRHDMKXQG-UHFFFAOYSA-N 0 3 211.268 2.419 10 30 BEEEHN C=CCC1(C(=O)N2CCN3CCC[C@@H]3C2)CCC1 ZINC000191350552 357766061 /nfs/dbraw/zinc/76/60/61/357766061.db2.gz GILMWDNUHOTGKG-CYBMUJFWSA-N 0 3 248.370 2.039 10 30 BEEEHN N#Cc1ccccc1CN1CCC[C@H]1CCCO ZINC000052759560 358229576 /nfs/dbraw/zinc/22/95/76/358229576.db2.gz UUTIUPDGCJTWIP-HNNXBMFYSA-N 0 3 244.338 2.295 10 30 BEEEHN CC#CC1(O)CCN(CCc2ccccc2)CC1 ZINC000584636959 358322353 /nfs/dbraw/zinc/32/23/53/358322353.db2.gz LJJZSUKRODJFJY-UHFFFAOYSA-N 0 3 243.350 2.079 10 30 BEEEHN C[C@@H]1N(Cc2ccccc2)CC[C@@]12CO2 ZINC000306196711 359025380 /nfs/dbraw/zinc/02/53/80/359025380.db2.gz LBISXHXPNOWRKD-WCQYABFASA-N 0 3 203.285 2.050 10 30 BEEEHN CC#CCN[C@@H]1CCC[C@@H]1C(F)(F)F ZINC000306561651 360438908 /nfs/dbraw/zinc/43/89/08/360438908.db2.gz NIRVRHPQSLIAMB-DTWKUNHWSA-N 0 3 205.223 2.330 10 30 BEEEHN CC#CCN[C@@H]1CCC[C@H]1C(F)(F)F ZINC000306561653 360438977 /nfs/dbraw/zinc/43/89/77/360438977.db2.gz NIRVRHPQSLIAMB-RKDXNWHRSA-N 0 3 205.223 2.330 10 30 BEEEHN C[C@H]1c2ccsc2CCN1CC[C@@H]1CO1 ZINC000306600888 360527952 /nfs/dbraw/zinc/52/79/52/360527952.db2.gz ACQVTXBHRYDNJC-VHSXEESVSA-N 0 3 223.341 2.456 10 30 BEEEHN C=C[C@H](N)c1ccncc1Br ZINC000238603941 361164970 /nfs/dbraw/zinc/16/49/70/361164970.db2.gz DFODEHCYYRISOA-QMMMGPOBSA-N 0 3 213.078 2.030 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NC[C@@H]1CCSC1 ZINC000228563917 361667733 /nfs/dbraw/zinc/66/77/33/361667733.db2.gz GBIVZUAOVLKOFC-SDDRHHMPSA-N 0 3 224.373 2.411 10 30 BEEEHN NCC#Cc1ccc(COCC2CC2)c(F)c1 ZINC000049610850 181346452 /nfs/dbraw/zinc/34/64/52/181346452.db2.gz KNGDMWNJMMAPBR-UHFFFAOYSA-N 0 3 233.286 2.063 10 30 BEEEHN COCCCCN[C@H]1CCCC[C@H]1C#N ZINC000054827745 369101197 /nfs/dbraw/zinc/10/11/97/369101197.db2.gz NFSFEIRQKIUGQB-RYUDHWBXSA-N 0 3 210.321 2.085 10 30 BEEEHN CC1(C)C[C@H](N[C@@H]2CCC[C@H]2C#N)CCO1 ZINC000251114420 369671462 /nfs/dbraw/zinc/67/14/62/369671462.db2.gz CWCJTXBADYTXAU-QJPTWQEYSA-N 0 3 222.332 2.226 10 30 BEEEHN CN(CC1CCOCC1)[C@H]1CCC[C@@H]1C#N ZINC000110897400 369999133 /nfs/dbraw/zinc/99/91/33/369999133.db2.gz YZEYGNBLTSZXKJ-OLZOCXBDSA-N 0 3 222.332 2.037 10 30 BEEEHN CO[C@H](CN[C@H]1CCCC[C@H]1C#N)C1CC1 ZINC000378736488 371016063 /nfs/dbraw/zinc/01/60/63/371016063.db2.gz GREHVOAUHUEGLT-RWMBFGLXSA-N 0 3 222.332 2.083 10 30 BEEEHN OCCC#Cc1cc(F)ccc1CN1CCCC1 ZINC000049615608 183040415 /nfs/dbraw/zinc/04/04/15/183040415.db2.gz CIONIJPTHHBNIH-UHFFFAOYSA-N 0 3 247.313 2.155 10 30 BEEEHN OCCC#Cc1cccc(CN2CCCCC2)c1 ZINC000049616758 183042239 /nfs/dbraw/zinc/04/22/39/183042239.db2.gz HYWKTUGGUWAUIG-UHFFFAOYSA-N 0 3 243.350 2.406 10 30 BEEEHN CCCN[C@](C)(C#N)CCN(C)C[C@@H]1C[C@@H]1C ZINC000104422186 169292622 /nfs/dbraw/zinc/29/26/22/169292622.db2.gz YUEOQKBMEIOBCC-IHRRRGAJSA-N 0 3 237.391 2.246 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1NC[C@@H]1CCSC1 ZINC000224419471 134347317 /nfs/dbraw/zinc/34/73/17/134347317.db2.gz YCLPGHRMNNPPHF-DCAQKATOSA-N 0 3 210.346 2.021 10 30 BEEEHN C[C@@H]1C[C@H](CN[C@H]2CCC[C@@H]2C#N)CCO1 ZINC000309448419 384093894 /nfs/dbraw/zinc/09/38/94/384093894.db2.gz LXAYDMDGRQWWNJ-LPWJVIDDSA-N 0 3 222.332 2.083 10 30 BEEEHN CCC[C@H]1C[C@@H]1NCc1ccc(C#N)o1 ZINC000165060635 384372760 /nfs/dbraw/zinc/37/27/60/384372760.db2.gz IECFZRJJBQGYAR-CABZTGNLSA-N 0 3 204.273 2.429 10 30 BEEEHN C#CCN[C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180672540 384492939 /nfs/dbraw/zinc/49/29/39/384492939.db2.gz LJAUCTNBNKITGM-LBPRGKRZSA-N 0 3 225.295 2.156 10 30 BEEEHN C[C@@H]1C[C@@](C#N)(NCc2ccccc2)CCN1C ZINC000156443453 385278544 /nfs/dbraw/zinc/27/85/44/385278544.db2.gz MCNUUXNXPPCDSP-HIFRSBDPSA-N 0 3 243.354 2.153 10 30 BEEEHN CC1(C)CN(c2cc(Cl)ccc2C#N)CCN1 ZINC000395959227 385279170 /nfs/dbraw/zinc/27/91/70/385279170.db2.gz BZJCDCSCBOTPET-UHFFFAOYSA-N 0 3 249.745 2.400 10 30 BEEEHN CC#CCCN1CCCN(c2ccccn2)CC1 ZINC000158115112 385346569 /nfs/dbraw/zinc/34/65/69/385346569.db2.gz HWQXSXVWVRKXAB-UHFFFAOYSA-N 0 3 243.354 2.007 10 30 BEEEHN CNCC#Cc1cccc(Br)c1 ZINC000258066036 385531044 /nfs/dbraw/zinc/53/10/44/385531044.db2.gz FBFMOWXIOURGHN-UHFFFAOYSA-N 0 3 224.101 2.020 10 30 BEEEHN CC#CCN1CCC[C@@H](n2ccnc2CC)C1 ZINC000119286985 385622158 /nfs/dbraw/zinc/62/21/58/385622158.db2.gz KQDWCWNGUMSZOO-CYBMUJFWSA-N 0 3 231.343 2.106 10 30 BEEEHN COc1cc(CN[C@@H]2C[C@H]2C)ccc1C#N ZINC000234947188 386119656 /nfs/dbraw/zinc/11/96/56/386119656.db2.gz MJVZREXXNIRYRQ-BXKDBHETSA-N 0 3 216.284 2.065 10 30 BEEEHN C[C@H]1CN=C(SCC#CC(C)(C)C)N1 ZINC000306888387 386481149 /nfs/dbraw/zinc/48/11/49/386481149.db2.gz VYHOERVZFRJSMY-VIFPVBQESA-N 0 3 210.346 2.117 10 30 BEEEHN CCN1CCC[C@@H](NCc2cc(C#N)cs2)C1 ZINC000093492524 386588338 /nfs/dbraw/zinc/58/83/38/386588338.db2.gz IGKFIBMHGZUXKM-GFCCVEGCSA-N 0 3 249.383 2.194 10 30 BEEEHN C[C@H]1CC[C@H](O)CN1Cc1ccc(CC#N)cc1 ZINC000398976018 387032729 /nfs/dbraw/zinc/03/27/29/387032729.db2.gz BMHCSCPMXSHDIW-WFASDCNBSA-N 0 3 244.338 2.098 10 30 BEEEHN C#CCOc1ccc(Cl)cc1CNCC ZINC000037703438 388646211 /nfs/dbraw/zinc/64/62/11/388646211.db2.gz VBEFLPGGZPZANX-UHFFFAOYSA-N 0 3 223.703 2.462 10 30 BEEEHN C=CCCCCNCc1c(C)nn(C)c1OC ZINC000274595645 389047313 /nfs/dbraw/zinc/04/73/13/389047313.db2.gz OJLOADKYJZWMHE-UHFFFAOYSA-N 0 3 237.347 2.183 10 30 BEEEHN C#CCN[C@H]1CCCC[C@H]1C(F)(F)F ZINC000082687717 322825541 /nfs/dbraw/zinc/82/55/41/322825541.db2.gz TYUNWMGDCDTIAC-BDAKNGLRSA-N 0 3 205.223 2.330 10 30 BEEEHN C=C(C)COc1ccc(N2CCNCC2)cc1 ZINC000019688477 132249750 /nfs/dbraw/zinc/24/97/50/132249750.db2.gz HNEIVEBSKJCABG-UHFFFAOYSA-N 0 3 232.327 2.051 10 30 BEEEHN CC1(C)C[C@@H](O)CCN(CC2(C#N)CCC2)C1 ZINC000336306749 134142895 /nfs/dbraw/zinc/14/28/95/134142895.db2.gz IHTVGGRHOZUSTL-LBPRGKRZSA-N 0 3 236.359 2.163 10 30 BEEEHN C=CCCCN(C)CC(=O)N1CCC(C)CC1 ZINC000121132804 134231688 /nfs/dbraw/zinc/23/16/88/134231688.db2.gz ZALFFLUADWWNAD-UHFFFAOYSA-N 0 3 238.375 2.143 10 30 BEEEHN C=C(C)CN1CCCN(c2ccccn2)CC1 ZINC000183830680 134356652 /nfs/dbraw/zinc/35/66/52/134356652.db2.gz QYEGGJTZFBSSNQ-UHFFFAOYSA-N 0 3 231.343 2.170 10 30 BEEEHN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCN(CC)C1 ZINC000185249749 134375724 /nfs/dbraw/zinc/37/57/24/134375724.db2.gz BLHCJVNCCVRKKL-STQMWFEESA-N 0 3 238.375 2.189 10 30 BEEEHN C=C(C)CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227361583 134378967 /nfs/dbraw/zinc/37/89/67/134378967.db2.gz BKZNESRKDZOXPD-STQMWFEESA-N 0 3 208.349 2.121 10 30 BEEEHN CC#CCCN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)OC ZINC000248398140 135004722 /nfs/dbraw/zinc/00/47/22/135004722.db2.gz SUCFPDAEIUGUTE-MJBXVCDLSA-N 0 3 249.354 2.206 10 30 BEEEHN N#CC1(CN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)CC1 ZINC000337290984 135011144 /nfs/dbraw/zinc/01/11/44/135011144.db2.gz OEPXHJYQNFKNJX-MCIONIFRSA-N 0 3 248.370 2.306 10 30 BEEEHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1ccccc1C ZINC000042220668 135219348 /nfs/dbraw/zinc/21/93/48/135219348.db2.gz GJWAXMMNUQBGDM-QWHCGFSZSA-N 0 3 246.354 2.336 10 30 BEEEHN C[C@@H](CCC#N)N[C@@H](CO)c1ccccc1 ZINC000278503673 135368386 /nfs/dbraw/zinc/36/83/86/135368386.db2.gz AOUUVHXEIJRAIQ-AAEUAGOBSA-N 0 3 218.300 2.002 10 30 BEEEHN C#CCNCCOc1ccc2c(c1)CCCC2 ZINC000053592300 166186988 /nfs/dbraw/zinc/18/69/88/166186988.db2.gz KMDJXBJXYSWGNT-UHFFFAOYSA-N 0 3 229.323 2.167 10 30 BEEEHN C#CCN[C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000019875613 166191441 /nfs/dbraw/zinc/19/14/41/166191441.db2.gz DMVCZUSFENZUJL-NSHDSACASA-N 0 3 231.295 2.132 10 30 BEEEHN C#CCN[C@H](C)c1c(C)cc(C)nc1C ZINC000037184910 166192173 /nfs/dbraw/zinc/19/21/73/166192173.db2.gz BDDPYNGHASADON-LLVKDONJSA-N 0 3 202.301 2.291 10 30 BEEEHN C=CCNCCC(=O)c1cc(F)ccc1F ZINC000049819910 166399559 /nfs/dbraw/zinc/39/95/59/166399559.db2.gz JEBMPQHSELQHCW-UHFFFAOYSA-N 0 3 225.238 2.313 10 30 BEEEHN C=CCN[C@@H]1CCOc2ccc(OC)cc21 ZINC000037185052 166406138 /nfs/dbraw/zinc/40/61/38/166406138.db2.gz PELRPZNZFDFKDV-GFCCVEGCSA-N 0 3 219.284 2.294 10 30 BEEEHN CCOC(=O)C(C#N)Cc1ccccc1F ZINC000034784081 170244783 /nfs/dbraw/zinc/24/47/83/170244783.db2.gz KWSSNXKQLCXYJS-SNVBAGLBSA-N 0 3 221.231 2.071 10 30 BEEEHN C=CCC1(NC(=O)[C@@H](N)CCC)CCCC1 ZINC000662889309 412337365 /nfs/dbraw/zinc/33/73/65/412337365.db2.gz WJYUSLHBXQLSHZ-NSHDSACASA-N 0 3 224.348 2.119 10 30 BEEEHN CN1CCCC[C@H]1CN[C@@H]1CCCC[C@@H]1C#N ZINC000054827715 173010291 /nfs/dbraw/zinc/01/02/91/173010291.db2.gz JQPVNIONPGNLOW-HZSPNIEDSA-N 0 3 235.375 2.143 10 30 BEEEHN CN1CC[C@H](Nc2ccc(Cl)c(C#N)c2)C1 ZINC000061985337 173154444 /nfs/dbraw/zinc/15/44/44/173154444.db2.gz HPSIIGMUWGXGAY-NSHDSACASA-N 0 3 235.718 2.328 10 30 BEEEHN CN1CC[C@H](Nc2cccc(Cl)c2C#N)C1 ZINC000052904220 173156449 /nfs/dbraw/zinc/15/64/49/173156449.db2.gz KVBNKRODBXXYNU-VIFPVBQESA-N 0 3 235.718 2.328 10 30 BEEEHN COCCNCc1ccccc1OCCCC#N ZINC000062729615 174335692 /nfs/dbraw/zinc/33/56/92/174335692.db2.gz HEDSDMZAXAZPID-UHFFFAOYSA-N 0 3 248.326 2.105 10 30 BEEEHN C[C@@H]1CCCN1Cc1ccc(F)c(C#CCO)c1 ZINC000049615257 176108003 /nfs/dbraw/zinc/10/80/03/176108003.db2.gz YLCROKHAGBUBHO-GFCCVEGCSA-N 0 3 247.313 2.154 10 30 BEEEHN C[C@H](S)[C@H]1NCCc2ccc(F)cc21 ZINC000083664471 177026152 /nfs/dbraw/zinc/02/61/52/177026152.db2.gz BJHWKRRPRARMDG-WRWORJQWSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@H]1CN=C(NCc2cccc(C#N)c2)S1 ZINC000051667920 177281521 /nfs/dbraw/zinc/28/15/21/177281521.db2.gz FCTRIRGYFTVUKR-VIFPVBQESA-N 0 3 231.324 2.139 10 30 BEEEHN C=CCNC(=O)[C@@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000160260781 323064577 /nfs/dbraw/zinc/06/45/77/323064577.db2.gz OUGZOGRMRQABKF-QWHCGFSZSA-N 0 3 246.354 2.336 10 30 BEEEHN C#CCNC[C@@H](C)SCc1occc1C ZINC000757167445 582548934 /nfs/dbraw/zinc/54/89/34/582548934.db2.gz WONZKWVVXDNPON-LLVKDONJSA-N 0 3 223.341 2.433 10 30 BEEEHN C=C(Cl)CN1C[C@@H]2CCCCN2C[C@@H]1C ZINC000227384628 534442747 /nfs/dbraw/zinc/44/27/47/534442747.db2.gz KHEFJKRKTPPHSL-RYUDHWBXSA-N 0 3 228.767 2.298 10 30 BEEEHN COC1CCC(N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000164258269 536739948 /nfs/dbraw/zinc/73/99/48/536739948.db2.gz DNZXOTKNKSLQTP-YWPUVAFDSA-N 0 3 222.332 2.226 10 30 BEEEHN CC1CCN(Cc2cc(C#CCO)cs2)CC1 ZINC000043689777 582805628 /nfs/dbraw/zinc/80/56/28/582805628.db2.gz JGGHDUGGXNRYHE-UHFFFAOYSA-N 0 3 249.379 2.324 10 30 BEEEHN CS[C@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000103329172 583974091 /nfs/dbraw/zinc/97/40/91/583974091.db2.gz OFGZIMRWFKSKLE-SFYZADRCSA-N 0 3 240.353 2.379 10 30 BEEEHN CCCCOCC(=O)C(C#N)c1ccccn1 ZINC000118599181 589179865 /nfs/dbraw/zinc/17/98/65/589179865.db2.gz JRXBHOTUVJMMTF-LLVKDONJSA-N 0 3 232.283 2.075 10 30 BEEEHN CC[C@@H](C)C(=O)O[C@@H](C)C#CCN(CC)CC ZINC000119418881 589282970 /nfs/dbraw/zinc/28/29/70/589282970.db2.gz YJOYGVIBLJVQIA-OLZOCXBDSA-N 0 3 239.359 2.309 10 30 BEEEHN CCCCC(=O)O[C@@H](C)C#CCN(CC)CC ZINC000119432898 589283817 /nfs/dbraw/zinc/28/38/17/589283817.db2.gz KCDGTGKQPLBPII-ZDUSSCGKSA-N 0 3 239.359 2.454 10 30 BEEEHN C=CCN(C)C[C@H](O)c1ccccc1C ZINC000127141135 590574715 /nfs/dbraw/zinc/57/47/15/590574715.db2.gz MUKIKBNQOWXJRQ-ZDUSSCGKSA-N 0 3 205.301 2.146 10 30 BEEEHN CC(C)(CO)NCc1ccc(C#N)cc1Cl ZINC000169013856 633153651 /nfs/dbraw/zinc/15/36/51/633153651.db2.gz GSHNYAKIJNDCAY-UHFFFAOYSA-N 0 3 238.718 2.072 10 30 BEEEHN CCOC[C@H](C)NCC#Cc1ccccc1 ZINC000051814386 636025289 /nfs/dbraw/zinc/02/52/89/636025289.db2.gz SZIKEZHIESNDOM-ZDUSSCGKSA-N 0 3 217.312 2.053 10 30 BEEEHN CC(C)CN(CCC#N)C[C@@H]1CCC[C@H](O)C1 ZINC000310196978 634085529 /nfs/dbraw/zinc/08/55/29/634085529.db2.gz ZXHSBRCLFPECBM-KGLIPLIRSA-N 0 3 238.375 2.409 10 30 BEEEHN CC(C)CN(CCC#N)C[C@H]1CCC[C@H](O)C1 ZINC000310196977 635378704 /nfs/dbraw/zinc/37/87/04/635378704.db2.gz ZXHSBRCLFPECBM-KBPBESRZSA-N 0 3 238.375 2.409 10 30 BEEEHN CC(C)CCN(CCC(C)C)/C(N)=N/O ZINC000232548603 641302509 /nfs/dbraw/zinc/30/25/09/641302509.db2.gz YUNUMFQECZAPDZ-UHFFFAOYSA-N 0 3 215.341 2.085 10 30 BEEEHN C#CCCNCc1cc(Cl)ccc1OC ZINC000069767949 642901652 /nfs/dbraw/zinc/90/16/52/642901652.db2.gz XVOLHUKOAPSOSJ-UHFFFAOYSA-N 0 3 223.703 2.462 10 30 BEEEHN CO[C@@H]1CCC[C@@H]1NCc1ccc(C#N)cc1F ZINC000050373700 643691446 /nfs/dbraw/zinc/69/14/46/643691446.db2.gz HUTAUTMNMQLHAP-UONOGXRCSA-N 0 3 248.301 2.354 10 30 BEEEHN CSC1CC(N[C@@H]2CCC[C@@H]2C#N)C1 ZINC000706929384 712161626 /nfs/dbraw/zinc/16/16/26/712161626.db2.gz SWLLSOWSSAJMRT-AGVGLQIMSA-N 0 3 210.346 2.162 10 30 BEEEHN CSC1CC(NCc2ccc(C#N)o2)C1 ZINC000708245266 712185094 /nfs/dbraw/zinc/18/50/94/712185094.db2.gz XIRHJFOZPUSYFX-UHFFFAOYSA-N 0 3 222.313 2.135 10 30 BEEEHN C[C@H](NCCCCC(C)(C)C#N)c1cn(C)nn1 ZINC000720550996 712850288 /nfs/dbraw/zinc/85/02/88/712850288.db2.gz ADFVGXRNEZMHEM-NSHDSACASA-N 0 3 249.362 2.186 10 30 BEEEHN CSC1CC(N[C@H]2CCC[C@@H]2C#N)C1 ZINC000706929389 712161853 /nfs/dbraw/zinc/16/18/53/712161853.db2.gz SWLLSOWSSAJMRT-SFXRXQKFSA-N 0 3 210.346 2.162 10 30 BEEEHN CCN1CCC[C@H](Nc2nccc(C)c2C#N)C1 ZINC000211622888 398272659 /nfs/dbraw/zinc/27/26/59/398272659.db2.gz AKCQVWLSXAOZQZ-LBPRGKRZSA-N 0 3 244.342 2.158 10 30 BEEEHN OCC1(NCC#Cc2ccccc2)CCCCC1 ZINC000053096916 539012181 /nfs/dbraw/zinc/01/21/81/539012181.db2.gz DDNNMFWZJRXEAH-UHFFFAOYSA-N 0 3 243.350 2.323 10 30 BEEEHN C=C(Br)CN[C@H]1CCS[C@H]1C ZINC000220694314 343112193 /nfs/dbraw/zinc/11/21/93/343112193.db2.gz JHUPTHAMOLLNNW-YUMQZZPRSA-N 0 3 236.178 2.379 10 30 BEEEHN N#C[C@H]1CCCC[C@H]1NCCC1CCOCC1 ZINC000310163727 343358115 /nfs/dbraw/zinc/35/81/15/343358115.db2.gz RBCOXDSQJDYLEM-ZIAGYGMSSA-N 0 3 236.359 2.475 10 30 BEEEHN C#CCN[C@H](C)c1ccc(OC)c(COC)c1 ZINC000035660582 166191969 /nfs/dbraw/zinc/19/19/69/166191969.db2.gz UBXVPZAZXGHYEK-LLVKDONJSA-N 0 3 233.311 2.125 10 30 BEEEHN C=C([C@H](N)c1ccncc1)C(F)(F)F ZINC000306227633 343763360 /nfs/dbraw/zinc/76/33/60/343763360.db2.gz GWWWDYTYGHKRNU-QMMMGPOBSA-N 0 3 202.179 2.200 10 30 BEEEHN CCC1CCC(NC(=O)C(C)C#N)CC1 ZINC000044825067 344551110 /nfs/dbraw/zinc/55/11/10/344551110.db2.gz KKCPHCWTDLFWHJ-KPPDAEKUSA-N 0 3 208.305 2.231 10 30 BEEEHN C=CCCCN(C)C(=O)CN1CCC(C)CC1 ZINC000119917795 344680553 /nfs/dbraw/zinc/68/05/53/344680553.db2.gz VXBANDIHLRXFJP-UHFFFAOYSA-N 0 3 238.375 2.143 10 30 BEEEHN C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C#N)CCO1 ZINC000235379168 344898033 /nfs/dbraw/zinc/89/80/33/344898033.db2.gz OAKFFBVQNCIRSC-FDYHWXHSSA-N 0 3 222.332 2.226 10 30 BEEEHN CC#CCCN1CCC(c2cc[nH]n2)CC1 ZINC000155335873 345077816 /nfs/dbraw/zinc/07/78/16/345077816.db2.gz JRBKBGHPSUOAQZ-UHFFFAOYSA-N 0 3 217.316 2.003 10 30 BEEEHN C=C[C@H](N)c1cccnc1C(F)(F)F ZINC000238603670 345089600 /nfs/dbraw/zinc/08/96/00/345089600.db2.gz ATRRPFUIKGHRFB-ZETCQYMHSA-N 0 3 202.179 2.286 10 30 BEEEHN [NH3+]CCCCCCCCCCCC(=O)N[O-] ZINC000167394883 345789578 /nfs/dbraw/zinc/78/95/78/345789578.db2.gz QUBISUNNAAPTOD-UHFFFAOYSA-N 0 3 230.352 2.352 10 30 BEEEHN C#C[C@H](N)c1cccc(C)c1Br ZINC000235804396 345916324 /nfs/dbraw/zinc/91/63/24/345916324.db2.gz ADYYZHPFHNZXSN-VIFPVBQESA-N 0 3 224.101 2.391 10 30 BEEEHN CC[C@](C)(CN[C@H]1CCCC[C@H]1C#N)OC ZINC000322636369 345956114 /nfs/dbraw/zinc/95/61/14/345956114.db2.gz SLQNOWCJEROQNW-RWMBFGLXSA-N 0 3 224.348 2.473 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NC[C@H]1CCSC1 ZINC000300229604 345994488 /nfs/dbraw/zinc/99/44/88/345994488.db2.gz GBIVZUAOVLKOFC-GRYCIOLGSA-N 0 3 224.373 2.411 10 30 BEEEHN C=C(C)CN1C[C@H]2CCCCN2C[C@@H]1C ZINC000161271334 346167423 /nfs/dbraw/zinc/16/74/23/346167423.db2.gz BKZNESRKDZOXPD-QWHCGFSZSA-N 0 3 208.349 2.121 10 30 BEEEHN C[C@@H](N)C#Cc1cscc1Br ZINC000167001489 346180778 /nfs/dbraw/zinc/18/07/78/346180778.db2.gz FQYHWLDHVDMSAC-ZCFIWIBFSA-N 0 3 230.130 2.209 10 30 BEEEHN COC1(CN[C@@H]2CCC[C@@H]2C#N)CCCC1 ZINC000309558791 347101421 /nfs/dbraw/zinc/10/14/21/347101421.db2.gz KKFIQFLUDKTTBN-VXGBXAGGSA-N 0 3 222.332 2.227 10 30 BEEEHN C=C(Cl)CN[C@H]1CCCCC[C@@H]1O ZINC000164062861 346588291 /nfs/dbraw/zinc/58/82/91/346588291.db2.gz KTHMZQJFZLWALR-UWVGGRQHSA-N 0 3 203.713 2.022 10 30 BEEEHN Cc1cccc([C@@H](CN)N(C)C[C@@H](C)C#N)c1 ZINC000042967485 179184024 /nfs/dbraw/zinc/18/40/24/179184024.db2.gz WNUJMSAVEKPAMR-GXTWGEPZSA-N 0 3 231.343 2.086 10 30 BEEEHN CC(C)(C)OCCCN[C@@H]1CCC[C@H]1C#N ZINC000590959121 347594644 /nfs/dbraw/zinc/59/46/44/347594644.db2.gz GELJPAXXQFVXEG-NWDGAFQWSA-N 0 3 224.348 2.473 10 30 BEEEHN Cc1ccccc1CN(CC/C(N)=N/O)C(C)C ZINC000042529104 179272148 /nfs/dbraw/zinc/27/21/48/179272148.db2.gz DVBHSDZBGHQKSD-UHFFFAOYSA-N 0 3 249.358 2.342 10 30 BEEEHN COCCCCN[C@H]1CCCC[C@@H]1C#N ZINC000054827737 348678578 /nfs/dbraw/zinc/67/85/78/348678578.db2.gz NFSFEIRQKIUGQB-NEPJUHHUSA-N 0 3 210.321 2.085 10 30 BEEEHN N#Cc1ccccc1[C@@H]1CCCN(CCO)CC1 ZINC000616602078 350791093 /nfs/dbraw/zinc/79/10/93/350791093.db2.gz SAWAKCSYQBFWBL-CYBMUJFWSA-N 0 3 244.338 2.120 10 30 BEEEHN C#CC[C@@H](NC)c1coc(Br)c1 ZINC000306810272 351064283 /nfs/dbraw/zinc/06/42/83/351064283.db2.gz UDEMZLPDXVXPBY-MRVPVSSYSA-N 0 3 228.089 2.326 10 30 BEEEHN N#Cc1csc(CN[C@H]2CCC[C@H](O)C2)c1 ZINC000086500214 351166022 /nfs/dbraw/zinc/16/60/22/351166022.db2.gz BLHMKXIFNQDDGU-QWRGUYRKSA-N 0 3 236.340 2.013 10 30 BEEEHN CCN1CCO[C@@H](c2ccccc2C#N)CC1 ZINC000616666338 351226681 /nfs/dbraw/zinc/22/66/81/351226681.db2.gz OTKMZJHCCSPUEM-CQSZACIVSA-N 0 3 230.311 2.342 10 30 BEEEHN NCC#Cc1ccsc1C(F)(F)F ZINC000307028928 351430755 /nfs/dbraw/zinc/43/07/55/351430755.db2.gz BREDQSXTZDIKNP-UHFFFAOYSA-N 0 3 205.204 2.077 10 30 BEEEHN C=C(C)[C@@H](NCc1ccccc1)[C@@H](C)O ZINC000075606740 187533489 /nfs/dbraw/zinc/53/34/89/187533489.db2.gz ZSSNLIFLCOKGQZ-DGCLKSJQSA-N 0 3 205.301 2.102 10 30 BEEEHN C[C@H](NCc1cccc(C#N)c1F)[C@@H]1CCCO1 ZINC000230632517 352183156 /nfs/dbraw/zinc/18/31/56/352183156.db2.gz MYHUNAQUDUYTLZ-GWCFXTLKSA-N 0 3 248.301 2.354 10 30 BEEEHN C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2C#N)CCO1 ZINC000300385841 352562201 /nfs/dbraw/zinc/56/22/01/352562201.db2.gz OAKFFBVQNCIRSC-XQHKEYJVSA-N 0 3 222.332 2.226 10 30 BEEEHN CC(C)=CN1CCN(CC/N=C/C(C)C)CC1 ZINC000111909734 188099036 /nfs/dbraw/zinc/09/90/36/188099036.db2.gz XRVOMWFWRKPBNF-RVDMUPIBSA-N 0 3 237.391 2.255 10 30 BEEEHN C=C(Cl)CN[C@]1(CO)CCC[C@@H](C)C1 ZINC000053126157 188160563 /nfs/dbraw/zinc/16/05/63/188160563.db2.gz LITJXMWDNDFQIA-MWLCHTKSSA-N 0 3 217.740 2.270 10 30 BEEEHN C#CCCN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000070073176 353253386 /nfs/dbraw/zinc/25/33/86/353253386.db2.gz OKQLWUQHZGFVGN-NSHDSACASA-N 0 3 233.311 2.378 10 30 BEEEHN C#CCCN[C@@H](C)c1ccc2c(c1)OCCO2 ZINC000070197449 353253413 /nfs/dbraw/zinc/25/34/13/353253413.db2.gz UGZRIRSWTAPPCX-NSHDSACASA-N 0 3 231.295 2.132 10 30 BEEEHN C=C(C)COc1cc2c(cc1CNCC)OCO2 ZINC000042874514 188216920 /nfs/dbraw/zinc/21/69/20/188216920.db2.gz OKGQKYYDCVDRTM-UHFFFAOYSA-N 0 3 249.310 2.480 10 30 BEEEHN C[C@@H]1CN2CCCC[C@@H]2CN1CCC(C)(C)C#N ZINC000094446041 353513128 /nfs/dbraw/zinc/51/31/28/353513128.db2.gz ZLWFFQIGVYOLMX-ZIAGYGMSSA-N 0 3 249.402 2.485 10 30 BEEEHN CC(C)OCCCN[C@H]1CCCC[C@H]1C#N ZINC000383535554 353890203 /nfs/dbraw/zinc/89/02/03/353890203.db2.gz JFYUPXFOZHXJPQ-STQMWFEESA-N 0 3 224.348 2.473 10 30 BEEEHN N#CC(Cc1ccccc1)C(=O)NC1CCCC1 ZINC000044808815 181063373 /nfs/dbraw/zinc/06/33/73/181063373.db2.gz YXGMXPOYBSLHRK-ZDUSSCGKSA-N 0 3 242.322 2.428 10 30 BEEEHN N#C[C@@H]1CCCCC[C@H]1NC1CCOCC1 ZINC000054825378 181058343 /nfs/dbraw/zinc/05/83/43/181058343.db2.gz JQEIVZYFWNVVOT-WCQYABFASA-N 0 3 222.332 2.227 10 30 BEEEHN N#Cc1ccc(-c2cncc(CN)c2)s1 ZINC000082642824 181095802 /nfs/dbraw/zinc/09/58/02/181095802.db2.gz LBMMLZNMXSXIFH-UHFFFAOYSA-N 0 3 215.281 2.140 10 30 BEEEHN C=C(Br)CN[C@H]1CCO[C@H]1C1CC1 ZINC000232455412 363372769 /nfs/dbraw/zinc/37/27/69/363372769.db2.gz MNFLKXTXSATERT-UWVGGRQHSA-N 0 3 246.148 2.052 10 30 BEEEHN COC(C)(C)CCN[C@H]1CCC[C@H]1C#N ZINC000234565458 363425097 /nfs/dbraw/zinc/42/50/97/363425097.db2.gz GWBGEKMFSOLOEL-QWRGUYRKSA-N 0 3 210.321 2.083 10 30 BEEEHN CSC1(CN[C@@H]2CCC[C@@H]2C#N)CC1 ZINC000235092523 363437378 /nfs/dbraw/zinc/43/73/78/363437378.db2.gz WJWRMMWXAOMUNW-NXEZZACHSA-N 0 3 210.346 2.164 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NCCC[C@@H]1CCOC1 ZINC000402072218 355334820 /nfs/dbraw/zinc/33/48/20/355334820.db2.gz IITIKCLHMFZUHU-RDBSUJKOSA-N 0 3 236.359 2.475 10 30 BEEEHN COCC(C)(C)NCC#Cc1ccccc1 ZINC000125354834 358538360 /nfs/dbraw/zinc/53/83/60/358538360.db2.gz ATBPUQOGMICCQQ-UHFFFAOYSA-N 0 3 217.312 2.053 10 30 BEEEHN C=C[C@](C)(CC)C(=O)N[C@@H]1CCCN(CC)C1 ZINC000134973797 358813293 /nfs/dbraw/zinc/81/32/93/358813293.db2.gz CQDMHIDKYMMRLO-TZMCWYRMSA-N 0 3 238.375 2.189 10 30 BEEEHN C=C[C@@](C)(CC)C(=O)N[C@H]1CCCN(CC)C1 ZINC000134973840 358813418 /nfs/dbraw/zinc/81/34/18/358813418.db2.gz CQDMHIDKYMMRLO-JSGCOSHPSA-N 0 3 238.375 2.189 10 30 BEEEHN C=CCN(C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000134143599 358781630 /nfs/dbraw/zinc/78/16/30/358781630.db2.gz XVIHOWVAGVMDGX-FZMZJTMJSA-N 0 3 217.312 2.496 10 30 BEEEHN OCCC[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000052762654 358793570 /nfs/dbraw/zinc/79/35/70/358793570.db2.gz CXSGCTRDSOGKBD-INIZCTEOSA-N 0 3 243.350 2.275 10 30 BEEEHN C#C[C@@H](N)c1ccc(OC)c(Br)c1 ZINC000130206696 358952161 /nfs/dbraw/zinc/95/21/61/358952161.db2.gz RGQIXEOZHVGDLJ-SECBINFHSA-N 0 3 240.100 2.091 10 30 BEEEHN CC1(C)[C@@H](C(F)(F)F)CCN1C[C@@H]1CO1 ZINC000306302700 359578014 /nfs/dbraw/zinc/57/80/14/359578014.db2.gz HCSGWHIIFWWFDO-SFYZADRCSA-N 0 3 223.238 2.048 10 30 BEEEHN C=CC1CCN(Cc2c(C)nn(C)c2OC)CC1 ZINC000093359260 360235587 /nfs/dbraw/zinc/23/55/87/360235587.db2.gz VOBQDCSMICNICP-UHFFFAOYSA-N 0 3 249.358 2.135 10 30 BEEEHN C=C(Br)CNC1(CC)CC1 ZINC000306553511 360426993 /nfs/dbraw/zinc/42/69/93/360426993.db2.gz GPOZROXWFVDIJI-UHFFFAOYSA-N 0 3 204.111 2.427 10 30 BEEEHN NCC#Cc1ccccc1NC(=O)C1CCCC1 ZINC000037550869 181347738 /nfs/dbraw/zinc/34/77/38/181347738.db2.gz DESKRFUFKOFOOD-UHFFFAOYSA-N 0 3 242.322 2.126 10 30 BEEEHN C=CC(C)(C)CNCc1c(C)nn(C)c1OC ZINC000385070574 367782796 /nfs/dbraw/zinc/78/27/96/367782796.db2.gz WHYDXRSVAJOPFT-UHFFFAOYSA-N 0 3 237.347 2.039 10 30 BEEEHN CSCCCN[C@@H]1CCCC[C@@H]1C#N ZINC000069001130 370872012 /nfs/dbraw/zinc/87/20/12/370872012.db2.gz RFHINRRYPGGINU-GHMZBOCLSA-N 0 3 212.362 2.411 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NCC[C@H]1CCCO1 ZINC000250986888 369633469 /nfs/dbraw/zinc/63/34/69/369633469.db2.gz BZFKZFNHSUASSY-YNEHKIRRSA-N 0 3 222.332 2.227 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NCC[C@H]1CCCO1 ZINC000250986884 369634174 /nfs/dbraw/zinc/63/41/74/369634174.db2.gz BZFKZFNHSUASSY-XQQFMLRXSA-N 0 3 222.332 2.227 10 30 BEEEHN C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C#N)CS1 ZINC000251716597 369908874 /nfs/dbraw/zinc/90/88/74/369908874.db2.gz BWBUGKDQRXPXNI-ZNSHCXBVSA-N 0 3 210.346 2.162 10 30 BEEEHN C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C#N)CS1 ZINC000251716595 369909016 /nfs/dbraw/zinc/90/90/16/369909016.db2.gz BWBUGKDQRXPXNI-VPOLOUISSA-N 0 3 210.346 2.162 10 30 BEEEHN C[C@@H]1CN2CCCC[C@H]2CN1CC1(CC#N)CC1 ZINC000251902703 369980754 /nfs/dbraw/zinc/98/07/54/369980754.db2.gz WNSIQDTVJRUVSS-KGLIPLIRSA-N 0 3 247.386 2.239 10 30 BEEEHN CC(C)N(Cc1ccccc1)C[C@@H]1CO1 ZINC000002386021 370426820 /nfs/dbraw/zinc/42/68/20/370426820.db2.gz CTOXXLRUDZFYNZ-CYBMUJFWSA-N 0 3 205.301 2.296 10 30 BEEEHN CO[C@H](CN[C@@H]1CCCC[C@@H]1C#N)C1CC1 ZINC000378736487 371016922 /nfs/dbraw/zinc/01/69/22/371016922.db2.gz GREHVOAUHUEGLT-JHJVBQTASA-N 0 3 222.332 2.083 10 30 BEEEHN C[C@H](CS)CN1C[C@@H](C)OC(C)(C)C1 ZINC000227267600 371818683 /nfs/dbraw/zinc/81/86/83/371818683.db2.gz CFVQGXYSKVSKAZ-VHSXEESVSA-N 0 3 217.378 2.052 10 30 BEEEHN C=CCC[C@@H](N)c1cccc2c1OCCO2 ZINC000163377287 371985082 /nfs/dbraw/zinc/98/50/82/371985082.db2.gz DOVXTTBVKYSTJF-LLVKDONJSA-N 0 3 219.284 2.424 10 30 BEEEHN OCCC#Cc1ccc(CN2CCCCC2)s1 ZINC000043679215 183042310 /nfs/dbraw/zinc/04/23/10/183042310.db2.gz ZWCLOJZUBYRPNA-UHFFFAOYSA-N 0 3 249.379 2.468 10 30 BEEEHN CCCN(C)Cc1ccc(F)cc1C#CCO ZINC000049617736 169080431 /nfs/dbraw/zinc/08/04/31/169080431.db2.gz NCOVYWFOSBMTOJ-UHFFFAOYSA-N 0 3 235.302 2.011 10 30 BEEEHN CCCN(C/C(N)=N/O)[C@H]1CCCC[C@@H]1CC ZINC000104381485 169089733 /nfs/dbraw/zinc/08/97/33/169089733.db2.gz JWHJTPFJJJWRBE-RYUDHWBXSA-N 0 3 241.379 2.414 10 30 BEEEHN CCC[C@@H](C#N)N1CCN(CC2CCCC2)CC1 ZINC000109457654 169342585 /nfs/dbraw/zinc/34/25/85/169342585.db2.gz BOEAIJUWIXRFOS-HNNXBMFYSA-N 0 3 249.402 2.486 10 30 BEEEHN C=C(C)CN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188143062 384363009 /nfs/dbraw/zinc/36/30/09/384363009.db2.gz GEHNXZSTRPOBRQ-STQMWFEESA-N 0 3 237.368 2.332 10 30 BEEEHN CC#CCCN1CCC(c2cnn(CC)c2)CC1 ZINC000155334268 384709937 /nfs/dbraw/zinc/70/99/37/384709937.db2.gz FPFUZBDXPPFTFL-UHFFFAOYSA-N 0 3 245.370 2.496 10 30 BEEEHN O=CC[C@H]1CCN(Cc2ccccc2)C1 ZINC000107145288 384951595 /nfs/dbraw/zinc/95/15/95/384951595.db2.gz FLBZZWJMNUTZIP-CYBMUJFWSA-N 0 3 203.285 2.098 10 30 BEEEHN N#C[C@@H]1CCC[C@H](NC2CC(F)(F)C2)C1 ZINC000308852258 385216930 /nfs/dbraw/zinc/21/69/30/385216930.db2.gz DRNITKJJEAUMFP-BDAKNGLRSA-N 0 3 214.259 2.456 10 30 BEEEHN C[C@H]1C[C@](C#N)(NCc2ccccc2)CCN1C ZINC000156443814 385279472 /nfs/dbraw/zinc/27/94/72/385279472.db2.gz MCNUUXNXPPCDSP-DZGCQCFKSA-N 0 3 243.354 2.153 10 30 BEEEHN CC#CCN1CCC[C@H](n2ccnc2CC)C1 ZINC000119287093 385622444 /nfs/dbraw/zinc/62/24/44/385622444.db2.gz KQDWCWNGUMSZOO-ZDUSSCGKSA-N 0 3 231.343 2.106 10 30 BEEEHN CC(C)OC1CC(N[C@H]2CCC[C@H]2C#N)C1 ZINC000309589063 385718829 /nfs/dbraw/zinc/71/88/29/385718829.db2.gz UBNRFNGYHGRJLY-WTIISPKJSA-N 0 3 222.332 2.224 10 30 BEEEHN C=C(Cl)CN1C[C@H]2CCCCN2C[C@H]1C ZINC000124327603 386025725 /nfs/dbraw/zinc/02/57/25/386025725.db2.gz KHEFJKRKTPPHSL-VXGBXAGGSA-N 0 3 228.767 2.298 10 30 BEEEHN COc1cc(CN[C@@H]2C[C@@H]2C)ccc1C#N ZINC000234946987 386118763 /nfs/dbraw/zinc/11/87/63/386118763.db2.gz MJVZREXXNIRYRQ-JOYOIKCWSA-N 0 3 216.284 2.065 10 30 BEEEHN C=CCCN1C[C@H]2CCCCN2C[C@H]1C ZINC000125398235 386251095 /nfs/dbraw/zinc/25/10/95/386251095.db2.gz XNFKAJGIIXMXFZ-CHWSQXEVSA-N 0 3 208.349 2.121 10 30 BEEEHN C#C[C@H](N)Cc1ccc(Br)cc1F ZINC000575467596 387076810 /nfs/dbraw/zinc/07/68/10/387076810.db2.gz QLBJRBRBHNVVNS-VIFPVBQESA-N 0 3 242.091 2.091 10 30 BEEEHN C=C(Br)CN[C@]12C[C@H]1CCC2 ZINC000575532713 387550988 /nfs/dbraw/zinc/55/09/88/387550988.db2.gz XOCNKEALIXAOKG-RKDXNWHRSA-N 0 3 216.122 2.427 10 30 BEEEHN C=C(Br)CN[C@@]12C[C@@H]1CCC2 ZINC000575532712 387551199 /nfs/dbraw/zinc/55/11/99/387551199.db2.gz XOCNKEALIXAOKG-IUCAKERBSA-N 0 3 216.122 2.427 10 30 BEEEHN C=CCN1CCC(c2cnn(CC)c2)CC1 ZINC000195501486 387915842 /nfs/dbraw/zinc/91/58/42/387915842.db2.gz WATMNGQYYKJNPW-UHFFFAOYSA-N 0 3 219.332 2.268 10 30 BEEEHN C[C@H]1CN(CCCSCC#N)CCS1 ZINC000080631707 388561037 /nfs/dbraw/zinc/56/10/37/388561037.db2.gz FELQBKPKBCVBTO-JTQLQIEISA-N 0 3 230.402 2.071 10 30 BEEEHN CC(C)(C=O)CN1CCN(c2ccccc2)CC1 ZINC000051175690 132359856 /nfs/dbraw/zinc/35/98/56/132359856.db2.gz WKVYZPKFNOMBGK-UHFFFAOYSA-N 0 3 246.354 2.034 10 30 BEEEHN C[C@@H]1CSCCN(CC2(C#N)CCC2)C1 ZINC000336259315 134141512 /nfs/dbraw/zinc/14/15/12/134141512.db2.gz UWXCGOVVKJKASL-NSHDSACASA-N 0 3 224.373 2.365 10 30 BEEEHN C=CCCCN1CCC[C@@H](NC(=O)CCC)C1 ZINC000117877213 134222131 /nfs/dbraw/zinc/22/21/31/134222131.db2.gz PARFZZAZNUDPCV-CYBMUJFWSA-N 0 3 238.375 2.333 10 30 BEEEHN CC#CCN(C)CCc1ccccc1OC ZINC000119048554 134224638 /nfs/dbraw/zinc/22/46/38/134224638.db2.gz ORQMSMAEOHATBG-UHFFFAOYSA-N 0 3 217.312 2.193 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1NC1Cc2ccccc2C1 ZINC000061891897 134804470 /nfs/dbraw/zinc/80/44/70/134804470.db2.gz OWAOGFLJDCKCSG-ZFWWWQNUSA-N 0 3 226.323 2.436 10 30 BEEEHN N#CC1(CN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)CC1 ZINC000337290982 135010179 /nfs/dbraw/zinc/01/01/79/135010179.db2.gz OEPXHJYQNFKNJX-BFHYXJOUSA-N 0 3 248.370 2.306 10 30 BEEEHN C=CCCN1C[C@@H]2CCCCN2C[C@H]1C ZINC000252894964 135116156 /nfs/dbraw/zinc/11/61/56/135116156.db2.gz XNFKAJGIIXMXFZ-OLZOCXBDSA-N 0 3 208.349 2.121 10 30 BEEEHN C[C@H](CCC#N)N[C@H](CO)c1ccccc1 ZINC000278503678 135368480 /nfs/dbraw/zinc/36/84/80/135368480.db2.gz AOUUVHXEIJRAIQ-DGCLKSJQSA-N 0 3 218.300 2.002 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCCSC1 ZINC000061892633 398107676 /nfs/dbraw/zinc/10/76/76/398107676.db2.gz HCVQZWHJCKZIKI-AXFHLTTASA-N 0 3 210.346 2.164 10 30 BEEEHN CC[C@H](COC)N[C@@H]1CCCC[C@@H]1C#N ZINC000070625483 410509163 /nfs/dbraw/zinc/50/91/63/410509163.db2.gz QWSLRFXAJDPURM-IJLUTSLNSA-N 0 3 210.321 2.083 10 30 BEEEHN C#CCNCCOc1cccc2c1OC(C)(C)C2 ZINC000053565282 166187534 /nfs/dbraw/zinc/18/75/34/166187534.db2.gz UFLILKGQMWZEPO-UHFFFAOYSA-N 0 3 245.322 2.002 10 30 BEEEHN C#CCNC[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962291 166188908 /nfs/dbraw/zinc/18/89/08/166188908.db2.gz WESWFLNZHNRPSY-ZDUSSCGKSA-N 0 3 239.322 2.334 10 30 BEEEHN C#CCN[C@H]1CCSc2ccccc21 ZINC000019875559 166192980 /nfs/dbraw/zinc/19/29/80/166192980.db2.gz PWHJDPJKZPZMNN-NSHDSACASA-N 0 3 203.310 2.446 10 30 BEEEHN C(#Cc1ccccc1)CNC[C@H]1CCCCO1 ZINC000051814358 166225590 /nfs/dbraw/zinc/22/55/90/166225590.db2.gz HRZPSFDNSRQBFL-OAHLLOKOSA-N 0 3 229.323 2.197 10 30 BEEEHN C=CCN(C(=O)[C@@H](CN)c1ccccc1)C(C)C ZINC000061612128 166310616 /nfs/dbraw/zinc/31/06/16/166310616.db2.gz SIMKRDUWMXOCPH-AWEZNQCLSA-N 0 3 246.354 2.152 10 30 BEEEHN CC(C)N[C@](C)(C#N)CCN(C)C[C@H]1C[C@@H]1C ZINC000104423751 167142546 /nfs/dbraw/zinc/14/25/46/167142546.db2.gz FZKSMNZXLUDUET-MJBXVCDLSA-N 0 3 237.391 2.245 10 30 BEEEHN CC1CCC(CO)(N[C@@H]2CCC[C@H]2C#N)CC1 ZINC000054829922 168156359 /nfs/dbraw/zinc/15/63/59/168156359.db2.gz GAIANRRMLGEFCQ-YIFLHPOLSA-N 0 3 236.359 2.209 10 30 BEEEHN CCN1CC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC000328221979 170014805 /nfs/dbraw/zinc/01/48/05/170014805.db2.gz YTVNHYFPKVBTDG-SNVBAGLBSA-N 0 3 233.290 2.203 10 30 BEEEHN CC[C@@H]1CN(Cc2ccc(C#N)cc2)CCN1C ZINC000104134759 171088686 /nfs/dbraw/zinc/08/86/86/171088686.db2.gz MAMUYBMCSWFRKC-OAHLLOKOSA-N 0 3 243.354 2.084 10 30 BEEEHN CC[C@H](C)OCCOc1cccc(C#CCN)c1 ZINC000049611108 171355203 /nfs/dbraw/zinc/35/52/03/171355203.db2.gz QQGYFJOYVFZQPP-ZDUSSCGKSA-N 0 3 247.338 2.191 10 30 BEEEHN CN1CC[C@@H](Nc2ccc(Cl)cc2C#N)C1 ZINC000052857753 173126444 /nfs/dbraw/zinc/12/64/44/173126444.db2.gz ZNGPYCVEDMVEAX-LLVKDONJSA-N 0 3 235.718 2.328 10 30 BEEEHN C[C@@H](S)[C@@H]1NCCc2cc(F)ccc21 ZINC000083730150 176007183 /nfs/dbraw/zinc/00/71/83/176007183.db2.gz VFEKTNILLSXDIX-HQJQHLMTSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@@H]1C[C@@H]1CN(C)Cc1cc(C#CCO)cs1 ZINC000104415276 176392403 /nfs/dbraw/zinc/39/24/03/176392403.db2.gz KCJMNVVCAFVGJN-DGCLKSJQSA-N 0 3 249.379 2.180 10 30 BEEEHN C[C@H]1CN(CCC(C)(C)C#N)CCS1 ZINC000119632533 177246944 /nfs/dbraw/zinc/24/69/44/177246944.db2.gz WOCMFNMIOIDGQT-JTQLQIEISA-N 0 3 212.362 2.364 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1NC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595482473 487866482 /nfs/dbraw/zinc/86/64/82/487866482.db2.gz OMDJDPXJAKAVLH-IEECTRCBSA-N 0 3 204.317 2.314 10 30 BEEEHN C=C(C)CN(CC)C(=O)[C@H](CCC)N(C)C ZINC000161522887 323540829 /nfs/dbraw/zinc/54/08/29/323540829.db2.gz HQLMVZJWPDDULZ-LBPRGKRZSA-N 0 3 226.364 2.141 10 30 BEEEHN COC[C@H](C)NCC#Cc1ccc(Cl)cc1 ZINC000381450112 487508306 /nfs/dbraw/zinc/50/83/06/487508306.db2.gz HDHAORWXIQXGGT-NSHDSACASA-N 0 3 237.730 2.316 10 30 BEEEHN C=CCCCN(C)Cc1cc(C(=O)OC)co1 ZINC000121089380 534709422 /nfs/dbraw/zinc/70/94/22/534709422.db2.gz WLWTVBYPTHMKGW-UHFFFAOYSA-N 0 3 237.299 2.464 10 30 BEEEHN C=CCCCN(C)[C@@H](C)C(=O)NCC(C)C ZINC000121064647 534712620 /nfs/dbraw/zinc/71/26/20/534712620.db2.gz NJSBWRBNAAQLTF-LBPRGKRZSA-N 0 3 226.364 2.045 10 30 BEEEHN CCN(CC)CC#C[C@H](C)OC(=O)C(C)(C)C ZINC000121541775 588110340 /nfs/dbraw/zinc/11/03/40/588110340.db2.gz CGOYANSHJQGGIU-LBPRGKRZSA-N 0 3 239.359 2.309 10 30 BEEEHN C=CCCCN(CC)CC(=O)NC(C)(C)C ZINC000117870724 589136620 /nfs/dbraw/zinc/13/66/20/589136620.db2.gz JNJYEYNYRSLADO-UHFFFAOYSA-N 0 3 226.364 2.189 10 30 BEEEHN CC[C@H](C)C(=O)O[C@H](C)C#CCN(CC)CC ZINC000119419271 589283031 /nfs/dbraw/zinc/28/30/31/589283031.db2.gz YJOYGVIBLJVQIA-QWHCGFSZSA-N 0 3 239.359 2.309 10 30 BEEEHN CCCCCCCNC(=O)[C@H](N)CCC ZINC000106198085 592703658 /nfs/dbraw/zinc/70/36/58/592703658.db2.gz STNOMMVGBLGYOT-LLVKDONJSA-N 0 3 214.353 2.200 10 30 BEEEHN CO[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C#N)C12CCC2 ZINC000308341529 631295571 /nfs/dbraw/zinc/29/55/71/631295571.db2.gz BZICMZYFEQCYPD-MROQNXINSA-N 0 3 234.343 2.226 10 30 BEEEHN C#CCCNCc1cc(F)c(F)c(F)c1 ZINC000069768814 642902372 /nfs/dbraw/zinc/90/23/72/642902372.db2.gz QFPPCQJHFIWNLU-UHFFFAOYSA-N 0 3 213.202 2.217 10 30 BEEEHN CO[C@H]1CCC[C@H]1NCc1cc(C#N)ccc1F ZINC000050373707 643691591 /nfs/dbraw/zinc/69/15/91/643691591.db2.gz FHHGOMHEOLBSOC-KGLIPLIRSA-N 0 3 248.301 2.354 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NCC1(O)CCCCC1 ZINC000087029127 644493899 /nfs/dbraw/zinc/49/38/99/644493899.db2.gz WWCMSRIKJRAMQS-STQMWFEESA-N 0 3 236.359 2.354 10 30 BEEEHN C=C([C@@H](N)c1cccnc1)C(F)(F)F ZINC000306261380 398138609 /nfs/dbraw/zinc/13/86/09/398138609.db2.gz WAWZKKHGSOVSJE-MRVPVSSYSA-N 0 3 202.179 2.200 10 30 BEEEHN CCC(CC)C(=O)Nc1ccc(C#CCN)cc1 ZINC000037551071 168341361 /nfs/dbraw/zinc/34/13/61/168341361.db2.gz BKAIDABTWUNEHG-UHFFFAOYSA-N 0 3 244.338 2.372 10 30 BEEEHN CCN(CC)CC#Cc1ccccc1NC(C)=O ZINC000118389734 342790889 /nfs/dbraw/zinc/79/08/89/342790889.db2.gz AZNHRMVEXHNYTG-UHFFFAOYSA-N 0 3 244.338 2.338 10 30 BEEEHN COc1ccc(C#C[C@@H](N)C(C)C)s1 ZINC000306660782 362020737 /nfs/dbraw/zinc/02/07/37/362020737.db2.gz NGHHNAMHHYUCFN-SNVBAGLBSA-N 0 3 209.314 2.092 10 30 BEEEHN N#C[C@H]1CCCC[C@@H]1NCCC1CCOCC1 ZINC000310163725 343358139 /nfs/dbraw/zinc/35/81/39/343358139.db2.gz RBCOXDSQJDYLEM-KGLIPLIRSA-N 0 3 236.359 2.475 10 30 BEEEHN C=CCN1CCC[C@H](n2ccnc2CC)C1 ZINC000105897416 136363592 /nfs/dbraw/zinc/36/35/92/136363592.db2.gz PHBPVKYYFGAXQC-LBPRGKRZSA-N 0 3 219.332 2.268 10 30 BEEEHN C=C(C)CN1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000105919788 136363893 /nfs/dbraw/zinc/36/38/93/136363893.db2.gz ZMKOBRDQBOHOCP-AWEZNQCLSA-N 0 3 248.374 2.183 10 30 BEEEHN CO[C@](C)(CN[C@H]1CCC[C@@H]1C#N)C1CC1 ZINC000381044271 343883719 /nfs/dbraw/zinc/88/37/19/343883719.db2.gz GSVLCWULLXUTBH-KGYLQXTDSA-N 0 3 222.332 2.083 10 30 BEEEHN CO[C@](C)(CN[C@@H]1CCC[C@@H]1C#N)C1CC1 ZINC000381044272 343883755 /nfs/dbraw/zinc/88/37/55/343883755.db2.gz GSVLCWULLXUTBH-RAIGVLPGSA-N 0 3 222.332 2.083 10 30 BEEEHN C[C@@H]1CN=C(SCC#CC(C)(C)C)N1 ZINC000306888386 343887494 /nfs/dbraw/zinc/88/74/94/343887494.db2.gz VYHOERVZFRJSMY-SECBINFHSA-N 0 3 210.346 2.117 10 30 BEEEHN CC#CC[C@@H](N)c1ccncc1Br ZINC000307638923 343957410 /nfs/dbraw/zinc/95/74/10/343957410.db2.gz YZWRZHISQVXTCF-SNVBAGLBSA-N 0 3 239.116 2.257 10 30 BEEEHN C[C@H]1C[C@H](C)N(Cc2ccnc(C#N)c2)C1 ZINC000135512378 344505990 /nfs/dbraw/zinc/50/59/90/344505990.db2.gz IAQNWSMQZIGGCA-QWRGUYRKSA-N 0 3 215.300 2.184 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1NCCc1cccnc1 ZINC000054825551 344471740 /nfs/dbraw/zinc/47/17/40/344471740.db2.gz FHCLCHXVTYIPHD-UONOGXRCSA-N 0 3 229.327 2.296 10 30 BEEEHN CC[C@@H](NCc1ccc(C#N)o1)[C@H]1CCCO1 ZINC000119795020 344549715 /nfs/dbraw/zinc/54/97/15/344549715.db2.gz ZZXAUPCIAASPKU-CHWSQXEVSA-N 0 3 234.299 2.198 10 30 BEEEHN C=C(C)C[C@H](N)c1cccc2c1OCCO2 ZINC000163974433 345781758 /nfs/dbraw/zinc/78/17/58/345781758.db2.gz KPHCFVROCGNLQL-NSHDSACASA-N 0 3 219.284 2.424 10 30 BEEEHN CC[C@](C)(CN[C@H]1CCCC[C@@H]1C#N)OC ZINC000322636367 345951977 /nfs/dbraw/zinc/95/19/77/345951977.db2.gz SLQNOWCJEROQNW-FRRDWIJNSA-N 0 3 224.348 2.473 10 30 BEEEHN C([C@@H]1CO1)N1CCC2(CCCCC2)CC1 ZINC000061819893 345952621 /nfs/dbraw/zinc/95/26/21/345952621.db2.gz SXKGCKYQGNEFOK-GFCCVEGCSA-N 0 3 209.333 2.432 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NC[C@H]1CCSC1 ZINC000300229606 345994868 /nfs/dbraw/zinc/99/48/68/345994868.db2.gz GBIVZUAOVLKOFC-WOPDTQHZSA-N 0 3 224.373 2.411 10 30 BEEEHN CN(C)Cc1cccc(OCCCC#N)c1 ZINC000168757751 346742881 /nfs/dbraw/zinc/74/28/81/346742881.db2.gz DXSOJMBUEJVNEG-UHFFFAOYSA-N 0 3 218.300 2.431 10 30 BEEEHN CC(C)N(Cc1ccc(C#N)s1)C[C@@H](C)O ZINC000120024046 187385118 /nfs/dbraw/zinc/38/51/18/187385118.db2.gz DWMXNWCXSWKBKO-SNVBAGLBSA-N 0 3 238.356 2.211 10 30 BEEEHN c1csc(CNC2=NCCCS2)c1 ZINC000036984647 347996666 /nfs/dbraw/zinc/99/66/66/347996666.db2.gz QOKHDYKBRPOOEB-UHFFFAOYSA-N 0 3 212.343 2.331 10 30 BEEEHN C=C(C)C(=O)Nc1ccc(C)c(CN)c1C ZINC000616570312 348038370 /nfs/dbraw/zinc/03/83/70/348038370.db2.gz ADIZUOJBUDDOAU-UHFFFAOYSA-N 0 3 218.300 2.277 10 30 BEEEHN COC(C)(C)CCN[C@H]1CCCC[C@H]1C#N ZINC000595688236 348313835 /nfs/dbraw/zinc/31/38/35/348313835.db2.gz CZXKDRCMZZSVEQ-RYUDHWBXSA-N 0 3 224.348 2.473 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1N[C@@H]1CCC[C@H]2C[C@H]21 ZINC000382194629 348959441 /nfs/dbraw/zinc/95/94/41/348959441.db2.gz CVCULQPVWGKGII-IEECTRCBSA-N 0 3 204.317 2.457 10 30 BEEEHN C=CCN(C(=O)[C@@H](N)CC(C)C)C1CCCC1 ZINC000037817671 166311258 /nfs/dbraw/zinc/31/12/58/166311258.db2.gz QHQHITFESLWRFE-ZDUSSCGKSA-N 0 3 238.375 2.317 10 30 BEEEHN Cc1ccc(CN2CC[C@@H](CCO)C2)cc1C#N ZINC000599299932 349140929 /nfs/dbraw/zinc/14/09/29/349140929.db2.gz QFAOSOSMNKTFBA-ZDUSSCGKSA-N 0 3 244.338 2.071 10 30 BEEEHN Cc1ccc(CN2C[C@H](O)CC[C@@H]2C)cc1C#N ZINC000599440299 349178547 /nfs/dbraw/zinc/17/85/47/349178547.db2.gz JDCVXECECGGATQ-SWLSCSKDSA-N 0 3 244.338 2.212 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NCCC[C@H]1CCOC1 ZINC000402072209 349331047 /nfs/dbraw/zinc/33/10/47/349331047.db2.gz IITIKCLHMFZUHU-IHRRRGAJSA-N 0 3 236.359 2.475 10 30 BEEEHN C=CCN(CC=C)C(=O)C1C2C1C1CCC2C1 ZINC000246575305 191092279 /nfs/dbraw/zinc/09/22/79/191092279.db2.gz LITARDMDLONKEM-CYDGBPFRSA-N 0 3 231.339 2.479 10 30 BEEEHN CCN1CCOCC[C@@H]1c1ccc(C#N)cc1 ZINC000616599611 350754534 /nfs/dbraw/zinc/75/45/34/350754534.db2.gz SNOWIBQYIHNNIL-CQSZACIVSA-N 0 3 230.311 2.342 10 30 BEEEHN N#Cc1cccc([C@H]2CCCCN2CCO)c1 ZINC000616614222 350830321 /nfs/dbraw/zinc/83/03/21/350830321.db2.gz LGMZFPLNJVRUFW-CQSZACIVSA-N 0 3 230.311 2.078 10 30 BEEEHN N#Cc1ccc([C@@H]2CCCCCN2CCO)cc1 ZINC000616624887 351093193 /nfs/dbraw/zinc/09/31/93/351093193.db2.gz IGVFMPGIGBVYAG-HNNXBMFYSA-N 0 3 244.338 2.468 10 30 BEEEHN CCN1CCCO[C@H](c2ccc(C#N)cc2)C1 ZINC000616649852 351179725 /nfs/dbraw/zinc/17/97/25/351179725.db2.gz LPNMARZKXQGLLL-AWEZNQCLSA-N 0 3 230.311 2.342 10 30 BEEEHN CCN1CCO[C@H](c2ccccc2C#N)CC1 ZINC000616686992 351257589 /nfs/dbraw/zinc/25/75/89/351257589.db2.gz OTKMZJHCCSPUEM-AWEZNQCLSA-N 0 3 230.311 2.342 10 30 BEEEHN C=CC(C)(C)CCNC(=O)[C@H](N)[C@H](C)CC ZINC000638454899 352264288 /nfs/dbraw/zinc/26/42/88/352264288.db2.gz NNLCQROJPVFNIZ-GHMZBOCLSA-N 0 3 226.364 2.078 10 30 BEEEHN C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2C#N)CCO1 ZINC000300385839 352562211 /nfs/dbraw/zinc/56/22/11/352562211.db2.gz OAKFFBVQNCIRSC-LPWJVIDDSA-N 0 3 222.332 2.226 10 30 BEEEHN C[C@@H](C#N)Oc1cccc(CN)c1Cl ZINC000307572881 352658185 /nfs/dbraw/zinc/65/81/85/352658185.db2.gz FLTTUWGFRNUOPW-ZETCQYMHSA-N 0 3 210.664 2.090 10 30 BEEEHN C#CCOc1ccc(Cl)cc1[C@@H](C)N ZINC000050209319 353170649 /nfs/dbraw/zinc/17/06/49/353170649.db2.gz VTXRLEXNDKSUCV-MRVPVSSYSA-N 0 3 209.676 2.372 10 30 BEEEHN CC(C)N(Cc1ccccc1)C[C@H]1CO1 ZINC000019389959 188107132 /nfs/dbraw/zinc/10/71/32/188107132.db2.gz CTOXXLRUDZFYNZ-ZDUSSCGKSA-N 0 3 205.301 2.296 10 30 BEEEHN Cc1ccc(OCCN2CCC[C@H](C=O)C2)cc1 ZINC000054237042 188127284 /nfs/dbraw/zinc/12/72/84/188127284.db2.gz XMQHVKIXFNCXFY-AWEZNQCLSA-N 0 3 247.338 2.285 10 30 BEEEHN Cn1ccnc1CCN[C@H]1CCCCC[C@H]1C#N ZINC000054828411 188127397 /nfs/dbraw/zinc/12/73/97/188127397.db2.gz BGHFQWMGCHXFTA-STQMWFEESA-N 0 3 246.358 2.025 10 30 BEEEHN CC(C)N(CCCO)[C@@H]1C[C@@H](C)CC[C@@H]1C#N ZINC000042504329 188151227 /nfs/dbraw/zinc/15/12/27/188151227.db2.gz BFKHUOLNXVIWTC-BFHYXJOUSA-N 0 3 238.375 2.408 10 30 BEEEHN CC#CCN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000160089511 353252429 /nfs/dbraw/zinc/25/24/29/353252429.db2.gz NJGAOVHHFPLXSC-AWEZNQCLSA-N 0 3 243.354 2.147 10 30 BEEEHN C#CCN1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076107160 353332121 /nfs/dbraw/zinc/33/21/21/353332121.db2.gz OMVBQGQPSRVXSR-CABCVRRESA-N 0 3 229.323 2.208 10 30 BEEEHN C#C[C@@H](N)c1cccc(Br)c1C ZINC000130238213 353345859 /nfs/dbraw/zinc/34/58/59/353345859.db2.gz PRVBPRMMCRBCMN-SNVBAGLBSA-N 0 3 224.101 2.391 10 30 BEEEHN C[C@H](NCC#Cc1ccc(F)cc1)[C@H]1CCCO1 ZINC000183099992 353509778 /nfs/dbraw/zinc/50/97/78/353509778.db2.gz UXUHEFNHEOPUFZ-SWLSCSKDSA-N 0 3 247.313 2.334 10 30 BEEEHN C=CCN(Cc1cccc(C#N)c1)CC(C)(C)O ZINC000136372260 353647552 /nfs/dbraw/zinc/64/75/52/353647552.db2.gz WNUKVGPOLJQSRH-UHFFFAOYSA-N 0 3 244.338 2.317 10 30 BEEEHN N#CCOc1ccc2ccccc2c1CN ZINC000037711095 181044180 /nfs/dbraw/zinc/04/41/80/181044180.db2.gz KEALTIMEMYTYFS-UHFFFAOYSA-N 0 3 212.252 2.201 10 30 BEEEHN N#C[C@H]1CCCCC[C@@H]1NC[C@@H]1CCCOC1 ZINC000054825919 181067647 /nfs/dbraw/zinc/06/76/47/181067647.db2.gz JWUQAIQZTFOMTN-MJBXVCDLSA-N 0 3 236.359 2.475 10 30 BEEEHN N#C[C@H]1CCCCC[C@@H]1NC1(CO)CCCC1 ZINC000054829848 181067677 /nfs/dbraw/zinc/06/76/77/181067677.db2.gz RRLCEWRXMDBXEC-OLZOCXBDSA-N 0 3 236.359 2.354 10 30 BEEEHN N#Cc1cc(CN)cc(C(F)(F)F)c1 ZINC000039115536 181084908 /nfs/dbraw/zinc/08/49/08/181084908.db2.gz RSCKVQDVWADWAI-UHFFFAOYSA-N 0 3 200.163 2.036 10 30 BEEEHN COCCCCCN[C@H]1CCC[C@H]1C#N ZINC000234631106 363426990 /nfs/dbraw/zinc/42/69/90/363426990.db2.gz BVALMMDHOOAJGA-RYUDHWBXSA-N 0 3 210.321 2.085 10 30 BEEEHN N#Cc1ccccc1OCCN1C[C@@H]2CCC[C@@H]21 ZINC000351224311 358163386 /nfs/dbraw/zinc/16/33/86/358163386.db2.gz JZYXMOSXSYDLTJ-KBPBESRZSA-N 0 3 242.322 2.421 10 30 BEEEHN C=CCN(C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000134144186 358781853 /nfs/dbraw/zinc/78/18/53/358781853.db2.gz XVIHOWVAGVMDGX-BXUZGUMPSA-N 0 3 217.312 2.496 10 30 BEEEHN CN(Cc1ccccc1)[C@H]1CCC[C@](N)(C#N)C1 ZINC000403386664 358944121 /nfs/dbraw/zinc/94/41/21/358944121.db2.gz GNXNWHLJDILBAO-LSDHHAIUSA-N 0 3 243.354 2.282 10 30 BEEEHN CN(Cc1ccccc1)[C@@H]1CCC[C@@](N)(C#N)C1 ZINC000403386659 358944289 /nfs/dbraw/zinc/94/42/89/358944289.db2.gz GNXNWHLJDILBAO-CABCVRRESA-N 0 3 243.354 2.282 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1N[C@H]1CCSC1 ZINC000299970581 358958307 /nfs/dbraw/zinc/95/83/07/358958307.db2.gz VOIAULJJOFSTIP-DCAQKATOSA-N 0 3 210.346 2.164 10 30 BEEEHN CC(C)(C=O)N1CCSC(C)(C)CC1 ZINC000306558256 360432350 /nfs/dbraw/zinc/43/23/50/360432350.db2.gz OXXOLKFJHSXUNZ-UHFFFAOYSA-N 0 3 215.362 2.181 10 30 BEEEHN C[C@@H]1c2ccsc2CCN1CC[C@H]1CO1 ZINC000306600902 360528281 /nfs/dbraw/zinc/52/82/81/360528281.db2.gz ACQVTXBHRYDNJC-ZJUUUORDSA-N 0 3 223.341 2.456 10 30 BEEEHN C[C@@H]1C[C@]2(CO2)CN1Cc1ccccc1 ZINC000306598817 360518538 /nfs/dbraw/zinc/51/85/38/360518538.db2.gz YCVNBLNJZNUSFL-DGCLKSJQSA-N 0 3 203.285 2.050 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@H]1C#N)[C@H]1CCCOC1 ZINC000388916984 364224993 /nfs/dbraw/zinc/22/49/93/364224993.db2.gz ORVDQWIZXGEASA-XDQVBPFNSA-N 0 3 236.359 2.473 10 30 BEEEHN C=C(Cl)CN1C[C@H]2CCCN2C[C@H]1CC ZINC000136079138 364456233 /nfs/dbraw/zinc/45/62/33/364456233.db2.gz MXBYKDOGNVIMKA-VXGBXAGGSA-N 0 3 228.767 2.298 10 30 BEEEHN C=C(Br)CNCC1CCC1 ZINC000037681240 364517222 /nfs/dbraw/zinc/51/72/22/364517222.db2.gz IQYKOVYBMVZWCE-UHFFFAOYSA-N 0 3 204.111 2.285 10 30 BEEEHN COCCCCN[C@@H]1CCCC[C@H]1C#N ZINC000054827741 369100663 /nfs/dbraw/zinc/10/06/63/369100663.db2.gz NFSFEIRQKIUGQB-NWDGAFQWSA-N 0 3 210.321 2.085 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1NCC1CCSCC1 ZINC000162462365 371691506 /nfs/dbraw/zinc/69/15/06/371691506.db2.gz XAVGQCPEXGEIHG-NWDGAFQWSA-N 0 3 224.373 2.411 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1NCC1CCSCC1 ZINC000162462533 371691953 /nfs/dbraw/zinc/69/19/53/371691953.db2.gz XAVGQCPEXGEIHG-RYUDHWBXSA-N 0 3 224.373 2.411 10 30 BEEEHN C=C[C@@H](N)c1ccoc1Br ZINC000229299168 372137750 /nfs/dbraw/zinc/13/77/50/372137750.db2.gz RVZXHOCRPGTGQD-ZCFIWIBFSA-N 0 3 202.051 2.228 10 30 BEEEHN OCCC#Cc1ccccc1CN1CCCC1 ZINC000049615567 183041892 /nfs/dbraw/zinc/04/18/92/183041892.db2.gz MWPKYDCEOXAQSG-UHFFFAOYSA-N 0 3 229.323 2.016 10 30 BEEEHN CCCOc1cccc(C(=NN)NC(C)C)c1 ZINC000061668416 169324522 /nfs/dbraw/zinc/32/45/22/169324522.db2.gz UVMOVMPSFPZBBM-UHFFFAOYSA-N 0 3 235.331 2.094 10 30 BEEEHN C[C@@H](N)c1cc(Cl)ccc1OCC#N ZINC000050209371 383969588 /nfs/dbraw/zinc/96/95/88/383969588.db2.gz JXBIKJXNMOSWAB-SSDOTTSWSA-N 0 3 210.664 2.262 10 30 BEEEHN CCC[C@@H]1C[C@H]1NCc1ccc(C#N)o1 ZINC000165060755 384372456 /nfs/dbraw/zinc/37/24/56/384372456.db2.gz IECFZRJJBQGYAR-BXKDBHETSA-N 0 3 204.273 2.429 10 30 BEEEHN C=C(C)[C@H]1c2cc(N)ccc2CCN1C ZINC000038235400 384849754 /nfs/dbraw/zinc/84/97/54/384849754.db2.gz PDVBCMCLMMIEQI-ZDUSSCGKSA-N 0 3 202.301 2.374 10 30 BEEEHN CSCCCCNCc1ccc(C#N)o1 ZINC000135486617 384904550 /nfs/dbraw/zinc/90/45/50/384904550.db2.gz SOAJTMXTJSESRV-UHFFFAOYSA-N 0 3 224.329 2.384 10 30 BEEEHN COc1cc(CN[C@H]2C[C@H]2C)ccc1C#N ZINC000234958092 385044981 /nfs/dbraw/zinc/04/49/81/385044981.db2.gz MJVZREXXNIRYRQ-SKDRFNHKSA-N 0 3 216.284 2.065 10 30 BEEEHN CC(C)N(Cc1ccc(C#N)s1)C[C@H](C)O ZINC000120024216 385153181 /nfs/dbraw/zinc/15/31/81/385153181.db2.gz DWMXNWCXSWKBKO-JTQLQIEISA-N 0 3 238.356 2.211 10 30 BEEEHN C[C@@H]1C[C@H]1NCc1ccc(C#N)cc1F ZINC000052288161 385273115 /nfs/dbraw/zinc/27/31/15/385273115.db2.gz GARGIXJHYVRCAK-PRHODGIISA-N 0 3 204.248 2.195 10 30 BEEEHN CCO[C@@H]1CCN[C@@H](c2ccc(C#N)cc2)C1 ZINC000584599142 385469400 /nfs/dbraw/zinc/46/94/00/385469400.db2.gz ODUHLBCCXSJKQM-ZIAGYGMSSA-N 0 3 230.311 2.388 10 30 BEEEHN CC(C)OC1CC(N[C@@H]2CCC[C@H]2C#N)C1 ZINC000309589066 385718202 /nfs/dbraw/zinc/71/82/02/385718202.db2.gz UBNRFNGYHGRJLY-YWPUVAFDSA-N 0 3 222.332 2.224 10 30 BEEEHN CC[C@](C)(O)CN(C)Cc1ccc(C#N)cc1 ZINC000123369573 385742680 /nfs/dbraw/zinc/74/26/80/385742680.db2.gz PGJIFPNRUYIGHJ-AWEZNQCLSA-N 0 3 232.327 2.151 10 30 BEEEHN C[C@@H](NCc1cc(C#N)cs1)[C@@H]1CCCO1 ZINC000086500181 386162331 /nfs/dbraw/zinc/16/23/31/386162331.db2.gz ZVGGUYGSNWJKLH-SKDRFNHKSA-N 0 3 236.340 2.277 10 30 BEEEHN CCCCCCCN1CCCNC(=O)[C@H]1C ZINC000189275238 387277820 /nfs/dbraw/zinc/27/78/20/387277820.db2.gz CMGVNUBUYGLVRE-GFCCVEGCSA-N 0 3 226.364 2.167 10 30 BEEEHN C=CC[C@@H](N)c1ncsc1Br ZINC000575569606 387736183 /nfs/dbraw/zinc/73/61/83/387736183.db2.gz GTYNLZZGMCMWBY-RXMQYKEDSA-N 0 3 233.134 2.482 10 30 BEEEHN C=CCN1CC[C@@H](CNc2ccccn2)C1 ZINC000195515949 388165544 /nfs/dbraw/zinc/16/55/44/388165544.db2.gz GGNDUPICOHFHTF-LBPRGKRZSA-N 0 3 217.316 2.001 10 30 BEEEHN C[C@H]1C[C@H]1NCc1ccc(C#N)c(F)c1 ZINC000335161403 388828473 /nfs/dbraw/zinc/82/84/73/388828473.db2.gz DUKXIRMTAKYJJP-QPUJVOFHSA-N 0 3 204.248 2.195 10 30 BEEEHN C[C@@H]1C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000335161401 388828530 /nfs/dbraw/zinc/82/85/30/388828530.db2.gz DUKXIRMTAKYJJP-PELKAZGASA-N 0 3 204.248 2.195 10 30 BEEEHN C#CCNC[C@H](C)Oc1ccccc1CC=C ZINC000053588971 166188891 /nfs/dbraw/zinc/18/88/91/166188891.db2.gz RHQCGULBNKLQMJ-ZDUSSCGKSA-N 0 3 229.323 2.405 10 30 BEEEHN C=CCCCN(C)Cc1cc(OC)ccn1 ZINC000121072463 166233056 /nfs/dbraw/zinc/23/30/56/166233056.db2.gz SIVVCYWUFOINRJ-UHFFFAOYSA-N 0 3 220.316 2.488 10 30 BEEEHN C=CCC[C@H](NC(=O)[C@H](C)N)c1ccccc1 ZINC000157799940 166301587 /nfs/dbraw/zinc/30/15/87/166301587.db2.gz HWWMQXLPIUHPDK-AAEUAGOBSA-N 0 3 232.327 2.157 10 30 BEEEHN C=CCN(CC=C)c1ccnc(CNCC)c1 ZINC000051398963 166339670 /nfs/dbraw/zinc/33/96/70/166339670.db2.gz BBOGEPHAYUMUSF-UHFFFAOYSA-N 0 3 231.343 2.370 10 30 BEEEHN C=CCN(Cc1ccc(C(C)C)cc1)C(=O)CN ZINC000032102552 166346409 /nfs/dbraw/zinc/34/64/09/166346409.db2.gz UNGIACWRSZCXIW-UHFFFAOYSA-N 0 3 246.354 2.283 10 30 BEEEHN CC1(NCc2cccnc2C#N)CCCC1 ZINC000061658060 168064627 /nfs/dbraw/zinc/06/46/27/168064627.db2.gz KCURBIATBXAHQC-UHFFFAOYSA-N 0 3 215.300 2.376 10 30 BEEEHN CCN1CCCOC[C@H]1c1ccc(C#N)cc1 ZINC000616648318 411410767 /nfs/dbraw/zinc/41/07/67/411410767.db2.gz DXNKFVQWZNGAKW-AWEZNQCLSA-N 0 3 230.311 2.342 10 30 BEEEHN CCOC(=O)C(C#N)Cc1ccccc1F ZINC000034784079 170263601 /nfs/dbraw/zinc/26/36/01/170263601.db2.gz KWSSNXKQLCXYJS-JTQLQIEISA-N 0 3 221.231 2.071 10 30 BEEEHN CC[C@@H]1CC[C@@H](C#N)[C@H](N(CCO)C(C)C)C1 ZINC000042479180 171027818 /nfs/dbraw/zinc/02/78/18/171027818.db2.gz WUSOBENGHMIFGM-HZSPNIEDSA-N 0 3 238.375 2.408 10 30 BEEEHN CC[C@H](/C(N)=N/O)N1CCC(C(C)(C)C)CC1 ZINC000050347221 171218660 /nfs/dbraw/zinc/21/86/60/171218660.db2.gz MPTIHFYPTSFBRL-LLVKDONJSA-N 0 3 241.379 2.270 10 30 BEEEHN CC[C@H](C)C(=O)Nc1ccc(C#CCN)cc1C ZINC000037551874 171254955 /nfs/dbraw/zinc/25/49/55/171254955.db2.gz LGFOPNQQRIHONJ-NSHDSACASA-N 0 3 244.338 2.290 10 30 BEEEHN CN1CCC[C@H](c2ccccc2C#N)C1 ZINC000075906576 173049180 /nfs/dbraw/zinc/04/91/80/173049180.db2.gz ABLLEDDJDSKRLM-LBPRGKRZSA-N 0 3 200.285 2.367 10 30 BEEEHN CN1CCC[C@H]1COc1cccc(C#N)c1 ZINC000026377208 173055850 /nfs/dbraw/zinc/05/58/50/173055850.db2.gz QEAVZJBKMAPKIC-LBPRGKRZSA-N 0 3 216.284 2.031 10 30 BEEEHN CNCc1cc(OC)ccc1OCCCCC#N ZINC000049578196 173387543 /nfs/dbraw/zinc/38/75/43/173387543.db2.gz BRFZIRFGBNRCKH-UHFFFAOYSA-N 0 3 248.326 2.487 10 30 BEEEHN C[C@@H]1CCCN(CC[C@@H](C#N)NC2CC2)[C@@H]1C ZINC000062438698 176098678 /nfs/dbraw/zinc/09/86/78/176098678.db2.gz MRRZRXJXBZKFTP-BZPMIXESSA-N 0 3 235.375 2.141 10 30 BEEEHN C[C@H](S)[C@H]1NCCc2c(F)cccc21 ZINC000083665039 177026410 /nfs/dbraw/zinc/02/64/10/177026410.db2.gz LNJSLHHPXDFKOM-WRWORJQWSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@H]1C[C@@H]1NCc1cc(C#N)ccc1F ZINC000052288169 177350219 /nfs/dbraw/zinc/35/02/19/177350219.db2.gz JLDCZBSZSWDSIQ-UFBFGSQYSA-N 0 3 204.248 2.195 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1NC[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595482475 487866627 /nfs/dbraw/zinc/86/66/27/487866627.db2.gz OMDJDPXJAKAVLH-WJTVCTBASA-N 0 3 204.317 2.314 10 30 BEEEHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1cccc(C)c1 ZINC000160260627 323064591 /nfs/dbraw/zinc/06/45/91/323064591.db2.gz OUGZOGRMRQABKF-STQMWFEESA-N 0 3 246.354 2.336 10 30 BEEEHN C=C(C)CN(CC)C(=O)[C@@H](CCC)N(C)C ZINC000161523011 323540728 /nfs/dbraw/zinc/54/07/28/323540728.db2.gz HQLMVZJWPDDULZ-GFCCVEGCSA-N 0 3 226.364 2.141 10 30 BEEEHN CCN(Cc1cnc2ccc(C#N)cn12)C1CC1 ZINC000133306288 325285224 /nfs/dbraw/zinc/28/52/24/325285224.db2.gz CYSRRCQMYGUZLF-UHFFFAOYSA-N 0 3 240.310 2.190 10 30 BEEEHN C=CC1CCN(C(=O)[C@H](CCC)N(C)C)CC1 ZINC000154897005 326171055 /nfs/dbraw/zinc/17/10/55/326171055.db2.gz GBDQIFFIGHYUDG-ZDUSSCGKSA-N 0 3 238.375 2.141 10 30 BEEEHN C=CCCCC(=O)N(C)C[C@@H]1CCCN1CC ZINC000176410632 534647174 /nfs/dbraw/zinc/64/71/74/534647174.db2.gz GFQZHIPWDCEIKP-ZDUSSCGKSA-N 0 3 238.375 2.285 10 30 BEEEHN C=CCCC[C@H](C)NC(=O)[C@](C)(N)CCC ZINC000262167478 534760511 /nfs/dbraw/zinc/76/05/11/534760511.db2.gz WGFIUHWAUDNKEJ-WCQYABFASA-N 0 3 226.364 2.365 10 30 BEEEHN CC1(C)C[C@H](O)CCN(CC2(C#N)CCC2)C1 ZINC000336306748 534898321 /nfs/dbraw/zinc/89/83/21/534898321.db2.gz IHTVGGRHOZUSTL-GFCCVEGCSA-N 0 3 236.359 2.163 10 30 BEEEHN N#CC(C(=O)CCC1CC1)c1ccccn1 ZINC000115903130 588935497 /nfs/dbraw/zinc/93/54/97/588935497.db2.gz BZSTUOIMEBPTPF-LLVKDONJSA-N 0 3 214.268 2.448 10 30 BEEEHN CS[C@@H](C)C(=O)C(C#N)c1nc(C)cs1 ZINC000103329178 585097996 /nfs/dbraw/zinc/09/79/96/585097996.db2.gz OFGZIMRWFKSKLE-JGVFFNPUSA-N 0 3 240.353 2.379 10 30 BEEEHN CCCCO[C@H](C)C(=O)C(C#N)c1ccccn1 ZINC000103638055 586171592 /nfs/dbraw/zinc/17/15/92/586171592.db2.gz WXULZUOKIMJQCU-NEPJUHHUSA-N 0 3 246.310 2.463 10 30 BEEEHN C#CCCNCc1ccccc1OC(F)F ZINC000069768022 631277678 /nfs/dbraw/zinc/27/76/78/631277678.db2.gz KAHJZWILUCHXJQ-UHFFFAOYSA-N 0 3 225.238 2.401 10 30 BEEEHN N#C[C@H]1CCCC[C@@H]1NCC1(O)CCCCC1 ZINC000087029125 644496072 /nfs/dbraw/zinc/49/60/72/644496072.db2.gz WWCMSRIKJRAMQS-OLZOCXBDSA-N 0 3 236.359 2.354 10 30 BEEEHN C#CCN[C@@H](C)c1ccc(OC)c(C)c1 ZINC000134787699 711558946 /nfs/dbraw/zinc/55/89/46/711558946.db2.gz OOMZOMCPOQUQTF-NSHDSACASA-N 0 3 203.285 2.287 10 30 BEEEHN C=CCCC[C@@H](C)NCc1nccn1C ZINC000133577223 1167516929 /nfs/dbraw/zinc/51/69/29/1167516929.db2.gz MWZWVVCTENPWNP-LLVKDONJSA-N 0 3 207.321 2.255 10 30 BEEEHN C[C@@H]1COCC[C@@H]1N[C@H]1CCCC[C@H]1C#N ZINC000300944190 349460388 /nfs/dbraw/zinc/46/03/88/349460388.db2.gz DVFHMRDZNWFPRH-VOAKCMCISA-N 0 3 222.332 2.083 10 30 BEEEHN Cc1ccc(C#N)c(N[C@H]2CCCN(C)C2)c1 ZINC000051579529 178366053 /nfs/dbraw/zinc/36/60/53/178366053.db2.gz AQBDFNKFLROOBV-ZDUSSCGKSA-N 0 3 229.327 2.373 10 30 BEEEHN CCN(CC)CC#Cc1cccc(OC)c1 ZINC000035874592 342762514 /nfs/dbraw/zinc/76/25/14/342762514.db2.gz MVHBNBMCUAGZPA-UHFFFAOYSA-N 0 3 217.312 2.389 10 30 BEEEHN CCOC1CC(N[C@@H]2CCCC[C@@H]2C#N)C1 ZINC000233749190 342880590 /nfs/dbraw/zinc/88/05/90/342880590.db2.gz LFUPHLUFXHTAFP-IKWCTNDRSA-N 0 3 222.332 2.226 10 30 BEEEHN CCOC1CC(N[C@H]2CCCC[C@@H]2C#N)C1 ZINC000233752380 342881021 /nfs/dbraw/zinc/88/10/21/342881021.db2.gz LFUPHLUFXHTAFP-XVSSEFHLSA-N 0 3 222.332 2.226 10 30 BEEEHN C[C@H](C#N)Oc1ccc(Cl)cc1CN ZINC000043513362 343116542 /nfs/dbraw/zinc/11/65/42/343116542.db2.gz OOTRRAJOMRHPBF-SSDOTTSWSA-N 0 3 210.664 2.090 10 30 BEEEHN C=C(C)CN1CCC(c2nncn2CC)CC1 ZINC000105928739 136363911 /nfs/dbraw/zinc/36/39/11/136363911.db2.gz GDGIMKLSZRIBJJ-UHFFFAOYSA-N 0 3 234.347 2.054 10 30 BEEEHN OC1C[C@H]2CC[C@@H](C1)N2CC#Cc1ccccc1 ZINC000111394627 136364318 /nfs/dbraw/zinc/36/43/18/136364318.db2.gz XPQHTICICGWHJJ-XYPWUTKMSA-N 0 3 241.334 2.026 10 30 BEEEHN C[C@@H]1C[C@H](O)CCN1Cc1ccc(CC#N)cc1 ZINC000602929939 349821386 /nfs/dbraw/zinc/82/13/86/349821386.db2.gz ADBCTENJATVPLY-IUODEOHRSA-N 0 3 244.338 2.098 10 30 BEEEHN NCC#Cc1ccc(C(F)(F)F)s1 ZINC000307333664 343927450 /nfs/dbraw/zinc/92/74/50/343927450.db2.gz QHIPHXRIXLJZTM-UHFFFAOYSA-N 0 3 205.204 2.077 10 30 BEEEHN NCC#Cc1c(Cl)cccc1Br ZINC000307446666 343933720 /nfs/dbraw/zinc/93/37/20/343933720.db2.gz WTFVAPKGNDRDPG-UHFFFAOYSA-N 0 3 244.519 2.413 10 30 BEEEHN CC[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C#N)CCO1 ZINC000251645887 344121900 /nfs/dbraw/zinc/12/19/00/344121900.db2.gz NBUSJKBFWLUPOP-LPWJVIDDSA-N 0 3 222.332 2.226 10 30 BEEEHN CC[C@@H](NCc1ccc(C#N)o1)[C@@H]1CCCO1 ZINC000119794707 344549574 /nfs/dbraw/zinc/54/95/74/344549574.db2.gz ZZXAUPCIAASPKU-OLZOCXBDSA-N 0 3 234.299 2.198 10 30 BEEEHN CCC1CCC(NC(=O)C(C)C#N)CC1 ZINC000044825066 344551543 /nfs/dbraw/zinc/55/15/43/344551543.db2.gz KKCPHCWTDLFWHJ-WHXUTIOJSA-N 0 3 208.305 2.231 10 30 BEEEHN C=C(Br)CN[C@@H]1CCS[C@H]1C ZINC000220694256 344568605 /nfs/dbraw/zinc/56/86/05/344568605.db2.gz JHUPTHAMOLLNNW-JGVFFNPUSA-N 0 3 236.178 2.379 10 30 BEEEHN C[C@H](N[C@H]1CCCC[C@@H]1C#N)C1CCOCC1 ZINC000235521763 344931790 /nfs/dbraw/zinc/93/17/90/344931790.db2.gz CTYYFOBVUSEWTJ-YUTCNCBUSA-N 0 3 236.359 2.473 10 30 BEEEHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCC[C@@H]1C#N ZINC000306235819 345129983 /nfs/dbraw/zinc/12/99/83/345129983.db2.gz OOSSLYFQBVYVAD-DBIOUOCHSA-N 0 3 210.346 2.020 10 30 BEEEHN C[C@@H]1OCC[C@@H]1CN[C@H]1CCCC[C@H]1C#N ZINC000300379925 345805016 /nfs/dbraw/zinc/80/50/16/345805016.db2.gz MCTPMZLHHMLRSU-RVMXOQNASA-N 0 3 222.332 2.083 10 30 BEEEHN C[C@H](N)C#Cc1cc(Br)ccc1F ZINC000167002077 346179000 /nfs/dbraw/zinc/17/90/00/346179000.db2.gz XRUBBPWSPZJCRC-ZETCQYMHSA-N 0 3 242.091 2.287 10 30 BEEEHN C#Cc1cccc(N[C@H]2CN3CCC2CC3)c1 ZINC000020440217 187370754 /nfs/dbraw/zinc/37/07/54/187370754.db2.gz IDQRZZSATNAREU-HNNXBMFYSA-N 0 3 226.323 2.174 10 30 BEEEHN CC(C)(C)OCCCN[C@H]1CCC[C@H]1C#N ZINC000590959122 347594680 /nfs/dbraw/zinc/59/46/80/347594680.db2.gz GELJPAXXQFVXEG-RYUDHWBXSA-N 0 3 224.348 2.473 10 30 BEEEHN CCSCCN[C@H]1CCCC[C@H]1C#N ZINC000308540387 347822632 /nfs/dbraw/zinc/82/26/32/347822632.db2.gz NSCFCMUEYNBSDZ-QWRGUYRKSA-N 0 3 212.362 2.411 10 30 BEEEHN CC(C)(C)[C@H](O)CN[C@H]1CCCC[C@H]1C#N ZINC000324539911 350307234 /nfs/dbraw/zinc/30/72/34/350307234.db2.gz RMXODFOBJYQBBD-SDDRHHMPSA-N 0 3 224.348 2.065 10 30 BEEEHN CCN1CCCOC[C@@H]1c1ccc(C#N)cc1 ZINC000616598568 350676187 /nfs/dbraw/zinc/67/61/87/350676187.db2.gz DXNKFVQWZNGAKW-CQSZACIVSA-N 0 3 230.311 2.342 10 30 BEEEHN CCN1CCOCC[C@H]1c1ccc(C#N)cc1 ZINC000616598831 350687336 /nfs/dbraw/zinc/68/73/36/350687336.db2.gz SNOWIBQYIHNNIL-AWEZNQCLSA-N 0 3 230.311 2.342 10 30 BEEEHN C[C@@H]1CSC[C@@H]1N[C@@H]1CCCC[C@H]1C#N ZINC000397974581 350995759 /nfs/dbraw/zinc/99/57/59/350995759.db2.gz OHIBDLQJRGQWAR-KXNHARMFSA-N 0 3 224.373 2.410 10 30 BEEEHN N#Cc1csc(CN[C@@H]2CCC[C@H](O)C2)c1 ZINC000086500213 351166211 /nfs/dbraw/zinc/16/62/11/351166211.db2.gz BLHMKXIFNQDDGU-MNOVXSKESA-N 0 3 236.340 2.013 10 30 BEEEHN CCN1CCCO[C@@H](c2ccc(C#N)cc2)C1 ZINC000616653318 351185971 /nfs/dbraw/zinc/18/59/71/351185971.db2.gz LPNMARZKXQGLLL-CQSZACIVSA-N 0 3 230.311 2.342 10 30 BEEEHN C[C@H](CCC#N)N1CCC[C@@H]1c1cnn(C)c1 ZINC000276274860 351614001 /nfs/dbraw/zinc/61/40/01/351614001.db2.gz DQNCYJYWGBHIBE-DGCLKSJQSA-N 0 3 232.331 2.249 10 30 BEEEHN N#Cc1cccc(CN)c1C(F)(F)F ZINC000307411563 352589321 /nfs/dbraw/zinc/58/93/21/352589321.db2.gz HSMOUFZJAJZMFJ-UHFFFAOYSA-N 0 3 200.163 2.036 10 30 BEEEHN CC(C)OCCCN[C@@H]1CCC[C@@H]1C#N ZINC000336745482 352731482 /nfs/dbraw/zinc/73/14/82/352731482.db2.gz BDCPWTMOZWEOBU-VXGBXAGGSA-N 0 3 210.321 2.083 10 30 BEEEHN CN=CNc1cccc(-c2c[nH]cn2)c1 ZINC000027214957 188109941 /nfs/dbraw/zinc/10/99/41/188109941.db2.gz ZAEYSAWLARNQTE-UHFFFAOYSA-N 0 3 200.245 2.147 10 30 BEEEHN N#CCCCCN1CCc2c(N)cccc2C1 ZINC000038032882 188116912 /nfs/dbraw/zinc/11/69/12/188116912.db2.gz WSIFKDLJVSVSIR-UHFFFAOYSA-N 0 3 229.327 2.321 10 30 BEEEHN Cc1ccccc1[C@@H](CN)N(CCC#N)C1CC1 ZINC000043037262 188121942 /nfs/dbraw/zinc/12/19/42/188121942.db2.gz CWJXXMSYZNUIBO-OAHLLOKOSA-N 0 3 243.354 2.373 10 30 BEEEHN Cc1ccccc1[C@@H](CN)N(C)C[C@@H](C)C#N ZINC000043037061 188121948 /nfs/dbraw/zinc/12/19/48/188121948.db2.gz GSXLBGRHGJDSIO-SMDDNHRTSA-N 0 3 231.343 2.086 10 30 BEEEHN CC(C)N(CCC#N)[C@H](CN)c1ccccc1 ZINC000042899486 188122190 /nfs/dbraw/zinc/12/21/90/188122190.db2.gz XGXGPMWBPMUJQX-CQSZACIVSA-N 0 3 231.343 2.310 10 30 BEEEHN COc1ccc(CN[C@@H]2C[C@@H]2C)cc1C#N ZINC000083730051 188142905 /nfs/dbraw/zinc/14/29/05/188142905.db2.gz LNRPAWRBUSMPNH-JOYOIKCWSA-N 0 3 216.284 2.065 10 30 BEEEHN CC#CCN1CCC(c2cnn(CC)c2)CC1 ZINC000160056111 353252847 /nfs/dbraw/zinc/25/28/47/353252847.db2.gz PJAUJJZJHJSFSO-UHFFFAOYSA-N 0 3 231.343 2.106 10 30 BEEEHN C[C@@H]1CN2CCCC[C@H]2CN1CCC(C)(C)C#N ZINC000252694265 353303704 /nfs/dbraw/zinc/30/37/04/353303704.db2.gz ZLWFFQIGVYOLMX-KGLIPLIRSA-N 0 3 249.402 2.485 10 30 BEEEHN C=CCCN(C)[C@H]1CCN(c2ccccc2)C1=O ZINC000133045419 353396813 /nfs/dbraw/zinc/39/68/13/353396813.db2.gz MLIQGPRPPUHFOB-AWEZNQCLSA-N 0 3 244.338 2.300 10 30 BEEEHN Fc1cccc2c1CCN[C@H]2CCS ZINC000083665052 181004822 /nfs/dbraw/zinc/00/48/22/181004822.db2.gz LVNUDWKIQBWMJA-NSHDSACASA-N 0 3 211.305 2.332 10 30 BEEEHN N#CCCCN[C@H]1CCOc2ccccc21 ZINC000049855904 181036599 /nfs/dbraw/zinc/03/65/99/181036599.db2.gz PMYOKHHTOPEXTP-LBPRGKRZSA-N 0 3 216.284 2.404 10 30 BEEEHN N#CC(C(=O)[C@H]1CCCOC1)c1cccc(F)c1 ZINC000062235991 181062462 /nfs/dbraw/zinc/06/24/62/181062462.db2.gz GCDICTXDKLDVDY-AAEUAGOBSA-N 0 3 247.269 2.429 10 30 BEEEHN N#CC(C(=O)[C@@H]1CCCOC1)c1cccc(F)c1 ZINC000062235986 181062577 /nfs/dbraw/zinc/06/25/77/181062577.db2.gz GCDICTXDKLDVDY-YPMHNXCESA-N 0 3 247.269 2.429 10 30 BEEEHN N#C[C@H]1CCCCC[C@@H]1NC1CCOCC1 ZINC000054825379 181067844 /nfs/dbraw/zinc/06/78/44/181067844.db2.gz JQEIVZYFWNVVOT-YPMHNXCESA-N 0 3 222.332 2.227 10 30 BEEEHN N#C[C@H]1CCCC[C@H]1N(CCO)C1CCCC1 ZINC000042505876 181069205 /nfs/dbraw/zinc/06/92/05/181069205.db2.gz QOZSGJYBAPYAGX-TZMCWYRMSA-N 0 3 236.359 2.306 10 30 BEEEHN N#Cc1c(F)cccc1Nc1ccncc1N ZINC000036157289 181077668 /nfs/dbraw/zinc/07/76/68/181077668.db2.gz HEUQZIFWUGYQNK-UHFFFAOYSA-N 0 3 228.230 2.418 10 30 BEEEHN N#Cc1ncccc1CNCC1CCCC1 ZINC000061657349 181170768 /nfs/dbraw/zinc/17/07/68/181170768.db2.gz ZZIURHJPBRTDEJ-UHFFFAOYSA-N 0 3 215.300 2.233 10 30 BEEEHN N=C(Nc1ccccc1)c1ccccc1N ZINC000005582953 181182627 /nfs/dbraw/zinc/18/26/27/181182627.db2.gz PUIHDSWBMBOMPS-UHFFFAOYSA-N 0 3 211.268 2.306 10 30 BEEEHN N#CCC1(CN2CC[C@]3(O)CCCC[C@H]3C2)CC1 ZINC000160623526 357139766 /nfs/dbraw/zinc/13/97/66/357139766.db2.gz RIXRMAHQWJLROV-DZGCQCFKSA-N 0 3 248.370 2.307 10 30 BEEEHN CCN1CCC[C@H]1CN(C)Cc1ccc(C#N)o1 ZINC000123396333 357225165 /nfs/dbraw/zinc/22/51/65/357225165.db2.gz RKMMZHYXVMARPP-LBPRGKRZSA-N 0 3 247.342 2.067 10 30 BEEEHN N/C(=N\O)[C@H]1CCCCN1CCC1CCCC1 ZINC000301809766 358436397 /nfs/dbraw/zinc/43/63/97/358436397.db2.gz LSPWHIOCMUWMMR-GFCCVEGCSA-N 0 3 239.363 2.168 10 30 BEEEHN C=CCOc1ccccc1CNC[C@@H](O)C(C)C ZINC000134698967 358802263 /nfs/dbraw/zinc/80/22/63/358802263.db2.gz WCUUTYUUAQAEQY-CQSZACIVSA-N 0 3 249.354 2.358 10 30 BEEEHN C#C[C@H](N)c1ccc(OC)c(Br)c1 ZINC000130206873 358952119 /nfs/dbraw/zinc/95/21/19/358952119.db2.gz RGQIXEOZHVGDLJ-VIFPVBQESA-N 0 3 240.100 2.091 10 30 BEEEHN C[C@H]1C[C@@]2(CO2)CN1Cc1ccccc1 ZINC000306598816 360518491 /nfs/dbraw/zinc/51/84/91/360518491.db2.gz YCVNBLNJZNUSFL-AAEUAGOBSA-N 0 3 203.285 2.050 10 30 BEEEHN N#Cc1cccc(OCCN2C[C@H]3CCC[C@H]32)c1 ZINC000435203766 201252096 /nfs/dbraw/zinc/25/20/96/201252096.db2.gz YXPPYCVEYGPXTF-UKRRQHHQSA-N 0 3 242.322 2.421 10 30 BEEEHN NCC#Cc1ccc(Cl)c(Cl)c1 ZINC000037471005 181346385 /nfs/dbraw/zinc/34/63/85/181346385.db2.gz KKGVAVCESNSYMZ-UHFFFAOYSA-N 0 3 200.068 2.304 10 30 BEEEHN COCC[C@H](C)N[C@H]1CCCC[C@@H]1C#N ZINC000081711785 370914930 /nfs/dbraw/zinc/91/49/30/370914930.db2.gz ZBOIJIVICOUBCT-TUAOUCFPSA-N 0 3 210.321 2.083 10 30 BEEEHN C[C@@H](CN(C)Cc1ccccc1)NCCC#N ZINC000306796192 369973573 /nfs/dbraw/zinc/97/35/73/369973573.db2.gz VVEGGXIQTVIAGL-ZDUSSCGKSA-N 0 3 231.343 2.010 10 30 BEEEHN C=C(C)C[C@@H](N)c1ccc(S(C)(=O)=O)cc1 ZINC000130904534 370172048 /nfs/dbraw/zinc/17/20/48/370172048.db2.gz BEAXFXVONYGUEZ-GFCCVEGCSA-N 0 3 239.340 2.056 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1N[C@H]1CCCOCC1 ZINC000309534738 370225319 /nfs/dbraw/zinc/22/53/19/370225319.db2.gz DWISNOANPZSJDN-RWMBFGLXSA-N 0 3 222.332 2.227 10 30 BEEEHN C[C@@H](C(=O)c1ccco1)/[N+]([O-])=C/c1ccccc1 ZINC000225410366 370552513 /nfs/dbraw/zinc/55/25/13/370552513.db2.gz QOTDQUYPNQMREU-SAIXKJTDSA-N 0 3 244.270 2.372 10 30 BEEEHN N#Cc1ccc(Nc2ccncc2N)cc1 ZINC000020585584 371300052 /nfs/dbraw/zinc/30/00/52/371300052.db2.gz YUSNIYMLRWTCCC-UHFFFAOYSA-N 0 3 210.240 2.279 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[C@@H](O)C1 ZINC000227734316 371927713 /nfs/dbraw/zinc/92/77/13/371927713.db2.gz LNOPFKHBCDIRHN-RQJABVFESA-N 0 3 236.359 2.209 10 30 BEEEHN C#C[C@@H](N)[C@H](C)Oc1cccc(Cl)c1 ZINC000163753472 372047185 /nfs/dbraw/zinc/04/71/85/372047185.db2.gz NTBFTKCWZZXCAH-GZMMTYOYSA-N 0 3 209.676 2.068 10 30 BEEEHN CCCN(C)Cc1ccc(C#CCO)cc1F ZINC000049617732 169080241 /nfs/dbraw/zinc/08/02/41/169080241.db2.gz BCCPRIBBBXOKCF-UHFFFAOYSA-N 0 3 235.302 2.011 10 30 BEEEHN CCC[C@@H](C)C(=O)Nc1ccccc1C#CCN ZINC000037550827 169353052 /nfs/dbraw/zinc/35/30/52/169353052.db2.gz WRFUPHJQRNHQFW-GFCCVEGCSA-N 0 3 244.338 2.372 10 30 BEEEHN C[C@H](O)C[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000124076291 384613334 /nfs/dbraw/zinc/61/33/34/384613334.db2.gz VHTRFYNUVZSXBU-HOCLYGCPSA-N 0 3 243.350 2.273 10 30 BEEEHN C[C@H](N[C@H]1CCC[C@H]1C#N)C1CCOCC1 ZINC000300364827 384697953 /nfs/dbraw/zinc/69/79/53/384697953.db2.gz HMWOCMYHGGFSFN-DRZSPHRISA-N 0 3 222.332 2.083 10 30 BEEEHN C[C@H](NCc1ccc(F)c(C#N)c1)[C@@H]1CCCO1 ZINC000136256582 385001686 /nfs/dbraw/zinc/00/16/86/385001686.db2.gz ATSNCYUKEMVCKA-HZMBPMFUSA-N 0 3 248.301 2.354 10 30 BEEEHN COCC1(CN[C@H]2CCC[C@H]2C#N)CCC1 ZINC000336659263 385059998 /nfs/dbraw/zinc/05/99/98/385059998.db2.gz IZBYUXNWIGCQSG-RYUDHWBXSA-N 0 3 222.332 2.085 10 30 BEEEHN C=C(Cl)CN1C[C@@H]2CCCN2C[C@@H]1CC ZINC000228259463 385572361 /nfs/dbraw/zinc/57/23/61/385572361.db2.gz MXBYKDOGNVIMKA-RYUDHWBXSA-N 0 3 228.767 2.298 10 30 BEEEHN CNCC#Cc1ccc(Br)cc1 ZINC000258364442 385778955 /nfs/dbraw/zinc/77/89/55/385778955.db2.gz ZQLRUICZALFDPP-UHFFFAOYSA-N 0 3 224.101 2.020 10 30 BEEEHN C=CC[C@@H](C)[NH2+]Cc1nc(C)ccc1[O-] ZINC000116926600 385803025 /nfs/dbraw/zinc/80/30/25/385803025.db2.gz XSWAJLXQFRJFER-SECBINFHSA-N 0 3 206.289 2.150 10 30 BEEEHN C[C@H](NCc1cc(C#N)cs1)[C@@H]1CCCO1 ZINC000086500180 386161111 /nfs/dbraw/zinc/16/11/11/386161111.db2.gz ZVGGUYGSNWJKLH-CABZTGNLSA-N 0 3 236.340 2.277 10 30 BEEEHN C=C(Br)CN[C@]1(C)C[C@@H]1C ZINC000575575191 386176996 /nfs/dbraw/zinc/17/69/96/386176996.db2.gz DSCMWGXXWBGVGR-POYBYMJQSA-N 0 3 204.111 2.283 10 30 BEEEHN CC#CCN[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000051663385 386835430 /nfs/dbraw/zinc/83/54/30/386835430.db2.gz ZSGHEJMCABLHPJ-NSHDSACASA-N 0 3 233.311 2.378 10 30 BEEEHN OCC[C@H]1CCCCN1CC#Cc1ccccc1 ZINC000051814901 386869943 /nfs/dbraw/zinc/86/99/43/386869943.db2.gz OGBJLDFGQJIPCD-MRXNPFEDSA-N 0 3 243.350 2.275 10 30 BEEEHN C#CCOc1c(Cl)cc(CNC)cc1OC ZINC000037487715 387534509 /nfs/dbraw/zinc/53/45/09/387534509.db2.gz VKICSWNOTYVUHM-UHFFFAOYSA-N 0 3 239.702 2.080 10 30 BEEEHN C=CCN1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000195516288 387922914 /nfs/dbraw/zinc/92/29/14/387922914.db2.gz GWQANWQYCUULNG-ZDUSSCGKSA-N 0 3 231.343 2.310 10 30 BEEEHN N#Cc1cccc(CN2CCCSCC2)c1 ZINC000042294802 388443847 /nfs/dbraw/zinc/44/38/47/388443847.db2.gz HOGYHCDJELALCJ-UHFFFAOYSA-N 0 3 232.352 2.497 10 30 BEEEHN CN(Cc1cnc2ccc(C#N)cn12)CC1CC1 ZINC000122907453 388588942 /nfs/dbraw/zinc/58/89/42/388588942.db2.gz AIOLAQQORCIIBA-UHFFFAOYSA-N 0 3 240.310 2.048 10 30 BEEEHN C[C@H]1C[C@@H]1NCc1ccc(C#N)c(F)c1 ZINC000335161404 388828462 /nfs/dbraw/zinc/82/84/62/388828462.db2.gz DUKXIRMTAKYJJP-UFBFGSQYSA-N 0 3 204.248 2.195 10 30 BEEEHN C=CCCCC(=O)N1CCCN(C2CC2)CC1 ZINC000175478588 134287212 /nfs/dbraw/zinc/28/72/12/134287212.db2.gz ZVRPDHVJYZEQBN-UHFFFAOYSA-N 0 3 236.359 2.039 10 30 BEEEHN C=C(C)CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000252888842 135116363 /nfs/dbraw/zinc/11/63/63/135116363.db2.gz BKZNESRKDZOXPD-OLZOCXBDSA-N 0 3 208.349 2.121 10 30 BEEEHN N#C[C@H]1CCC[C@@H]1NC1Cc2ccccc2C1 ZINC000061891895 398107704 /nfs/dbraw/zinc/10/77/04/398107704.db2.gz OWAOGFLJDCKCSG-HIFRSBDPSA-N 0 3 226.323 2.436 10 30 BEEEHN C#CCCCN[C@H](CO)c1ccc(Cl)cc1 ZINC000273141609 166132458 /nfs/dbraw/zinc/13/24/58/166132458.db2.gz UMRPAOMUYCNDPL-CYBMUJFWSA-N 0 3 237.730 2.376 10 30 BEEEHN C#CCNCCn1ccc2cccc(CC)c21 ZINC000053524809 166188068 /nfs/dbraw/zinc/18/80/68/166188068.db2.gz ATUQLYWBFAYAAN-UHFFFAOYSA-N 0 3 226.323 2.427 10 30 BEEEHN C=CCN(C(=O)[C@H]1CCCCN1)C1CCCC1 ZINC000037817632 166311159 /nfs/dbraw/zinc/31/11/59/166311159.db2.gz AVCUDIXXVYMYDV-CYBMUJFWSA-N 0 3 236.359 2.086 10 30 BEEEHN C=CCN(CC=C)CCc1cccc(N)c1 ZINC000041139374 166335876 /nfs/dbraw/zinc/33/58/76/166335876.db2.gz BWGRQYWISXRDQF-UHFFFAOYSA-N 0 3 216.328 2.485 10 30 BEEEHN C=CCNCCOc1ccc(C)c(C)c1 ZINC000004568354 166398479 /nfs/dbraw/zinc/39/84/79/166398479.db2.gz RLQMDFLYDQNBNU-UHFFFAOYSA-N 0 3 205.301 2.458 10 30 BEEEHN CCOC(=O)C(C#N)Cc1ccc(F)cc1F ZINC000074468169 170244621 /nfs/dbraw/zinc/24/46/21/170244621.db2.gz NQIIJHBOFWPZKD-SECBINFHSA-N 0 3 239.221 2.210 10 30 BEEEHN CCC1S/C(=N\c2ccccc2F)NC1=O ZINC000011638046 171153254 /nfs/dbraw/zinc/15/32/54/171153254.db2.gz XSEOADNQJFPJBS-VIFPVBQESA-N 0 3 238.287 2.455 10 30 BEEEHN CC[C@H](C)N(C)Cc1ccc(C#CCO)cc1F ZINC000049617212 171308423 /nfs/dbraw/zinc/30/84/23/171308423.db2.gz UEVHGWVGLRCQHE-LBPRGKRZSA-N 0 3 249.329 2.400 10 30 BEEEHN C=CC[C@@H]1CCCC[C@H]1NC(=O)[C@@H](N)CCC ZINC000662842390 412318474 /nfs/dbraw/zinc/31/84/74/412318474.db2.gz NUWQQAHFJOFJRM-FRRDWIJNSA-N 0 3 238.375 2.365 10 30 BEEEHN CN[C@H]1COc2cc(OCCCCC#N)ccc21 ZINC000062804100 173467806 /nfs/dbraw/zinc/46/78/06/173467806.db2.gz IYKQTMGDRUCURT-ZDUSSCGKSA-N 0 3 246.310 2.412 10 30 BEEEHN COCCCSCc1cccc(C#CCN)c1 ZINC000104439410 174258616 /nfs/dbraw/zinc/25/86/16/174258616.db2.gz SXQXPAUYYQVTBU-UHFFFAOYSA-N 0 3 249.379 2.267 10 30 BEEEHN COc1ccccc1CNC1=NC[C@H](C)S1 ZINC000020354390 175319715 /nfs/dbraw/zinc/31/97/15/175319715.db2.gz DRVLZDPLYNXSCK-VIFPVBQESA-N 0 3 236.340 2.276 10 30 BEEEHN C[C@@H](NC[C@H]1CCCO1)c1ccc(C#N)s1 ZINC000132672637 175892643 /nfs/dbraw/zinc/89/26/43/175892643.db2.gz LAYWSRSUAJKWOT-NXEZZACHSA-N 0 3 236.340 2.449 10 30 BEEEHN C[C@@H](S)[C@H]1NCCc2c(F)cccc21 ZINC000083665040 176007230 /nfs/dbraw/zinc/00/72/30/176007230.db2.gz LNJSLHHPXDFKOM-RDDDGLTNSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@@H]1CN=C(NCc2ccc(C#N)cc2)S1 ZINC000051354692 176324586 /nfs/dbraw/zinc/32/45/86/176324586.db2.gz PEYLQSGJRUBHCF-SECBINFHSA-N 0 3 231.324 2.139 10 30 BEEEHN C[C@H](S)[C@@H]1NCCc2c(F)cccc21 ZINC000083665041 177025529 /nfs/dbraw/zinc/02/55/29/177025529.db2.gz LNJSLHHPXDFKOM-CPCISQLKSA-N 0 3 211.305 2.331 10 30 BEEEHN C[C@H]1CC(C)(C)C[C@](C#N)(NCCN(C)C)C1 ZINC000037940652 177063757 /nfs/dbraw/zinc/06/37/57/177063757.db2.gz YCGYLZTUEHYWAL-GXTWGEPZSA-N 0 3 237.391 2.246 10 30 BEEEHN C[C@H]1C[C@H]1CN(C)Cc1sccc1C#CCO ZINC000104413765 177379238 /nfs/dbraw/zinc/37/92/38/177379238.db2.gz MDTZJJNRWVZRRY-AAEUAGOBSA-N 0 3 249.379 2.180 10 30 BEEEHN C[C@@H](O)C[C@H]1CCCN1CC#Cc1ccccc1 ZINC000124076975 490347574 /nfs/dbraw/zinc/34/75/74/490347574.db2.gz VHTRFYNUVZSXBU-GDBMZVCRSA-N 0 3 243.350 2.273 10 30 BEEEHN C=C(Cl)CN1C[C@@H]2CCCCN2C[C@H]1C ZINC000252891400 534442940 /nfs/dbraw/zinc/44/29/40/534442940.db2.gz KHEFJKRKTPPHSL-NEPJUHHUSA-N 0 3 228.767 2.298 10 30 BEEEHN C=CCCC[C@@H](C)NC(=O)[C@@](C)(N)CCC ZINC000262167479 534750906 /nfs/dbraw/zinc/75/09/06/534750906.db2.gz WGFIUHWAUDNKEJ-YPMHNXCESA-N 0 3 226.364 2.365 10 30 BEEEHN C=CC[C@H](N)C(=O)CCCOCc1ccccc1 ZINC000310016182 566343643 /nfs/dbraw/zinc/34/36/43/566343643.db2.gz OETIIEABVDHRNU-AWEZNQCLSA-N 0 3 247.338 2.456 10 30 BEEEHN CCN(CC)CC#C[C@H](C)OC(=O)C=C1CCC1 ZINC000121344647 585068347 /nfs/dbraw/zinc/06/83/47/585068347.db2.gz BBDYHODZKSMMFX-ZDUSSCGKSA-N 0 3 249.354 2.374 10 30 BEEEHN CC[C@@H](C)C(=O)O[C@H](C)C#CCN(CC)CC ZINC000119419129 589283112 /nfs/dbraw/zinc/28/31/12/589283112.db2.gz YJOYGVIBLJVQIA-CHWSQXEVSA-N 0 3 239.359 2.309 10 30 BEEEHN C=CCN(C)C[C@H](O)c1cc(C)cc(C)c1 ZINC000121181031 589512068 /nfs/dbraw/zinc/51/20/68/589512068.db2.gz OELXSBBGDGCNML-AWEZNQCLSA-N 0 3 219.328 2.455 10 30 BEEEHN CC#CCCNC[C@H](O)c1ccccc1Cl ZINC000125719992 590182682 /nfs/dbraw/zinc/18/26/82/590182682.db2.gz YXGXFLZNBUVCQQ-ZDUSSCGKSA-N 0 3 237.730 2.376 10 30 BEEEHN C=CCN(C)C[C@@H](O)c1ccc(F)cc1C ZINC000127141872 590575134 /nfs/dbraw/zinc/57/51/34/590575134.db2.gz HXAFPXFZJBMVHY-CYBMUJFWSA-N 0 3 223.291 2.285 10 30 BEEEHN N#Cc1ccc(F)c(CN[C@@H]2CCCC[C@H]2O)c1 ZINC000052013057 632040271 /nfs/dbraw/zinc/04/02/71/632040271.db2.gz KEKLRSPIGAYTLQ-ZIAGYGMSSA-N 0 3 248.301 2.090 10 30 BEEEHN N#CC(C(=O)[C@H]1C[C@H]1C1CC1)c1ccccn1 ZINC000246059446 642380844 /nfs/dbraw/zinc/38/08/44/642380844.db2.gz AZHVKVSANIDIJG-SRVKXCTJSA-N 0 3 226.279 2.304 10 30 BEEEHN CO[C@@H]1CCC[C@@H]1NCc1cc(C#N)ccc1F ZINC000050373704 643691305 /nfs/dbraw/zinc/69/13/05/643691305.db2.gz FHHGOMHEOLBSOC-UONOGXRCSA-N 0 3 248.301 2.354 10 30 BEEEHN C#CCN1CCC(Nc2ccc(C#N)cc2)CC1 ZINC000037212146 712553484 /nfs/dbraw/zinc/55/34/84/712553484.db2.gz XUNBTINPKDEKTO-UHFFFAOYSA-N 0 3 239.322 2.068 10 30 BEEEHN C/C=C/C(=O)CCNCc1ccccc1 ZINC000685959369 538906628 /nfs/dbraw/zinc/90/66/28/538906628.db2.gz SSBAJLRCFHMBBT-QHHAFSJGSA-N 0 3 203.285 2.312 10 30 BEEEHN C=C(C)C(=O)CCNCc1ccccc1 ZINC000685960397 538907597 /nfs/dbraw/zinc/90/75/97/538907597.db2.gz ITEFGHHVJGXBIH-UHFFFAOYSA-N 0 3 203.285 2.312 10 30 BEEEHN Cc1ccc(C#N)c(N(C)[C@@H]2CCCN(C)C2)c1 ZINC000053246392 178362993 /nfs/dbraw/zinc/36/29/93/178362993.db2.gz RAWQGTYHAAYDHS-CQSZACIVSA-N 0 3 243.354 2.397 10 30 BEEEHN CCN(C[C@H](C)C#N)C[C@@H]1CCC[C@H](O)C1 ZINC000309721121 342802891 /nfs/dbraw/zinc/80/28/91/342802891.db2.gz BTXVLHHAZDSBRA-UPJWGTAASA-N 0 3 224.348 2.019 10 30 BEEEHN CCOC1CC(N[C@@H]2CCCC[C@H]2C#N)C1 ZINC000233749252 342880521 /nfs/dbraw/zinc/88/05/21/342880521.db2.gz LFUPHLUFXHTAFP-YWPUVAFDSA-N 0 3 222.332 2.226 10 30 BEEEHN C=CCNC/C=C\c1ccc(OC)cc1 ZINC000309071950 342887017 /nfs/dbraw/zinc/88/70/17/342887017.db2.gz FCWDJQLYNJKEAC-PLNGDYQASA-N 0 3 203.285 2.484 10 30 BEEEHN CCN1CCC[C@@H](Nc2cc(C)nc(C#N)c2)C1 ZINC000308275758 346906916 /nfs/dbraw/zinc/90/69/16/346906916.db2.gz MPZGEZCZWVKBIJ-GFCCVEGCSA-N 0 3 244.342 2.158 10 30 BEEEHN Cc1ccc(C2(C#N)CCN(C)CC2)cc1 ZINC000013610036 343096502 /nfs/dbraw/zinc/09/65/02/343096502.db2.gz UWFQWENRHDTJQQ-UHFFFAOYSA-N 0 3 214.312 2.482 10 30 in-vivo BEEEHN C=C(C)CN1CCC[C@H](n2cc(C)cn2)C1 ZINC000105923412 136363953 /nfs/dbraw/zinc/36/39/53/136363953.db2.gz AAYFINYYXMWDHX-ZDUSSCGKSA-N 0 3 219.332 2.405 10 30 BEEEHN CC[NH+](CC)CC/N=C\c1ccccc1[O-] ZINC000263584302 344483903 /nfs/dbraw/zinc/48/39/03/344483903.db2.gz PKMPLUBOIQNPGM-KAMYIIQDSA-N 0 3 220.316 2.153 10 30 BEEEHN C[C@H](N[C@@H]1CCCC[C@@H]1C#N)C1CCOCC1 ZINC000235526606 344932686 /nfs/dbraw/zinc/93/26/86/344932686.db2.gz CTYYFOBVUSEWTJ-IACUBPJLSA-N 0 3 236.359 2.473 10 30 BEEEHN CCCN(CCC)Cc1nn(C)cc1CC#N ZINC000675054048 537890894 /nfs/dbraw/zinc/89/08/94/537890894.db2.gz MWKAUKMQSANZBN-UHFFFAOYSA-N 0 3 234.347 2.108 10 30 BEEEHN N#C[C@@H]1CCC[C@@H]1N[C@H]1CCC[C@@H]2C[C@@H]21 ZINC000378921457 345714575 /nfs/dbraw/zinc/71/45/75/345714575.db2.gz CVCULQPVWGKGII-MOLYVOAJSA-N 0 3 204.317 2.457 10 30 BEEEHN N#C[C@@H]1CCCC[C@@H]1NCC[C@@H]1CCOC1 ZINC000236170197 346203993 /nfs/dbraw/zinc/20/39/93/346203993.db2.gz GQBWABPKHNOAHS-AGIUHOORSA-N 0 3 222.332 2.085 10 30 BEEEHN C#Cc1ccc(OCCN2CCCC2)cc1 ZINC000118643399 347242364 /nfs/dbraw/zinc/24/23/64/347242364.db2.gz WBPIQHRSQQCAII-UHFFFAOYSA-N 0 3 215.296 2.143 10 30 BEEEHN Cn1cc([C@H]2CCCN2CCC(C)(C)C#N)cn1 ZINC000119910948 347313389 /nfs/dbraw/zinc/31/33/89/347313389.db2.gz MCTKRYLEVHROET-CYBMUJFWSA-N 0 3 246.358 2.497 10 30 BEEEHN COC(C)(C)CCN[C@@H]1CCCC[C@H]1C#N ZINC000595688235 348313902 /nfs/dbraw/zinc/31/39/02/348313902.db2.gz CZXKDRCMZZSVEQ-NWDGAFQWSA-N 0 3 224.348 2.473 10 30 BEEEHN COC(C)(C)CCN[C@@H]1CCCC[C@@H]1C#N ZINC000595688237 348313906 /nfs/dbraw/zinc/31/39/06/348313906.db2.gz CZXKDRCMZZSVEQ-VXGBXAGGSA-N 0 3 224.348 2.473 10 30 BEEEHN CO[C@H](CN[C@H]1CCCC[C@H]1C#N)C1CCC1 ZINC000595689256 348314718 /nfs/dbraw/zinc/31/47/18/348314718.db2.gz KSWUBDBLXDPXIM-MELADBBJSA-N 0 3 236.359 2.473 10 30 BEEEHN CCOCCCN[C@@H]1CCCC[C@@H]1C#N ZINC000054824273 348659626 /nfs/dbraw/zinc/65/96/26/348659626.db2.gz IBONAVDRNALSGN-VXGBXAGGSA-N 0 3 210.321 2.085 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1N[C@H]1CCC[C@H]2C[C@H]21 ZINC000382194682 348960390 /nfs/dbraw/zinc/96/03/90/348960390.db2.gz CVCULQPVWGKGII-YYHQMBLXSA-N 0 3 204.317 2.457 10 30 BEEEHN Cc1ccc(CN2C[C@@H](O)CC[C@@H]2C)cc1C#N ZINC000599440300 349178832 /nfs/dbraw/zinc/17/88/32/349178832.db2.gz JDCVXECECGGATQ-WFASDCNBSA-N 0 3 244.338 2.212 10 30 BEEEHN CC(C#N)C(=O)c1cc(F)c(F)c(F)c1 ZINC000063007259 350379566 /nfs/dbraw/zinc/37/95/66/350379566.db2.gz RATKYDRHWUCBPT-RXMQYKEDSA-N 0 3 213.158 2.446 10 30 BEEEHN CC(C)(C)N1CCN[C@H](c2ccc(C#N)cc2)C1 ZINC000616633006 351114719 /nfs/dbraw/zinc/11/47/19/351114719.db2.gz VTAZMGCEIBLGKJ-AWEZNQCLSA-N 0 3 243.354 2.303 10 30 BEEEHN C=CCOc1ccc(CNCCOCC)cc1 ZINC000036228389 358460426 /nfs/dbraw/zinc/46/04/26/358460426.db2.gz FQOQJVPSENBVRB-UHFFFAOYSA-N 0 3 235.327 2.378 10 30 BEEEHN C=CCCC(C)(C)CNC(=O)[C@H](N)CCC ZINC000638874131 353044557 /nfs/dbraw/zinc/04/45/57/353044557.db2.gz FTZZWCOASAQZHN-LLVKDONJSA-N 0 3 226.364 2.222 10 30 BEEEHN CC(=NNC(=N)N)c1ccc(Cl)c(Cl)c1 ZINC000015961984 188169566 /nfs/dbraw/zinc/16/95/66/188169566.db2.gz WSAFOSLUYCQLSH-RZNTYIFUSA-N 0 3 245.113 2.200 10 30 BEEEHN C=C(Cl)COc1cc2c(cc1CN)OCO2 ZINC000042873755 188216676 /nfs/dbraw/zinc/21/66/76/188216676.db2.gz DUXJEBCHQGDNJP-UHFFFAOYSA-N 0 3 241.674 2.005 10 30 BEEEHN C=C(Br)CN[C@H]1CC1(C)C ZINC000045119568 188216790 /nfs/dbraw/zinc/21/67/90/188216790.db2.gz GHQVDHAJJACHQK-ZETCQYMHSA-N 0 3 204.111 2.283 10 30 BEEEHN N#CC1(Nc2ccc(Cl)cc2)CCNCC1 ZINC000040695139 181030929 /nfs/dbraw/zinc/03/09/29/181030929.db2.gz BWTARRQGVYRCOP-UHFFFAOYSA-N 0 3 235.718 2.398 10 30 BEEEHN N#CC1(Nc2cccc(Cl)c2)CCNCC1 ZINC000040695149 181030966 /nfs/dbraw/zinc/03/09/66/181030966.db2.gz XTEBJRUSHWSFOM-UHFFFAOYSA-N 0 3 235.718 2.398 10 30 BEEEHN CC(C)OCCCN[C@H]1CCCC[C@@H]1C#N ZINC000383535545 353890379 /nfs/dbraw/zinc/89/03/79/353890379.db2.gz JFYUPXFOZHXJPQ-OLZOCXBDSA-N 0 3 224.348 2.473 10 30 BEEEHN N#CC1(N)C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000091301933 181029267 /nfs/dbraw/zinc/02/92/67/181029267.db2.gz YOPWHKJAHRXACC-YIONKMFJSA-N 0 3 241.338 2.034 10 30 BEEEHN N#CC(C(=O)[C@H]1CCCCO1)c1ccccc1 ZINC000050963786 181054023 /nfs/dbraw/zinc/05/40/23/181054023.db2.gz UZOKIGHKBLLSTN-CHWSQXEVSA-N 0 3 229.279 2.432 10 30 BEEEHN N#CC(Cc1ccccc1)C(=O)NC1CCCC1 ZINC000044808816 181055850 /nfs/dbraw/zinc/05/58/50/181055850.db2.gz YXGMXPOYBSLHRK-CYBMUJFWSA-N 0 3 242.322 2.428 10 30 BEEEHN N#C[C@@H]1CCCCC[C@@H]1NC1CCOCC1 ZINC000054825380 181058237 /nfs/dbraw/zinc/05/82/37/181058237.db2.gz JQEIVZYFWNVVOT-AAEUAGOBSA-N 0 3 222.332 2.227 10 30 BEEEHN N#C[C@H]1CCC[C@@H]1N(CCO)C1CCCCC1 ZINC000042505769 181068760 /nfs/dbraw/zinc/06/87/60/181068760.db2.gz PBRFUVCQACJVOE-OCCSQVGLSA-N 0 3 236.359 2.306 10 30 BEEEHN N#Cc1cc(N[C@H]2CCN(C3CC3)C2)ccc1F ZINC000061983943 181091287 /nfs/dbraw/zinc/09/12/87/181091287.db2.gz POOAPPSETBZGGP-LBPRGKRZSA-N 0 3 245.301 2.346 10 30 BEEEHN N#Cc1ccc(CNCC[C@H]2CCCO2)c(F)c1 ZINC000038097296 181108258 /nfs/dbraw/zinc/10/82/58/181108258.db2.gz JEEVZXBRRKGGLH-CYBMUJFWSA-N 0 3 248.301 2.356 10 30 BEEEHN N#Cc1ccc(CN[C@H]2CCCC[C@H]2O)c(F)c1 ZINC000052013052 181110203 /nfs/dbraw/zinc/11/02/03/181110203.db2.gz JOXQVBJLEAZPOT-UONOGXRCSA-N 0 3 248.301 2.090 10 30 BEEEHN CSC1(CN[C@@H]2CCC[C@H]2C#N)CC1 ZINC000235095032 363437198 /nfs/dbraw/zinc/43/71/98/363437198.db2.gz WJWRMMWXAOMUNW-VHSXEESVSA-N 0 3 210.346 2.164 10 30 BEEEHN N#Cc1ncccc1CNC[C@H]1CC=CCC1 ZINC000061658676 181170642 /nfs/dbraw/zinc/17/06/42/181170642.db2.gz LLMYROQJGHTECN-LBPRGKRZSA-N 0 3 227.311 2.399 10 30 BEEEHN C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1CCC#N ZINC000346711010 355102455 /nfs/dbraw/zinc/10/24/55/355102455.db2.gz XODQRVSHNJIQCG-MJBXVCDLSA-N 0 3 236.359 2.306 10 30 BEEEHN CCOC(=O)C(C=O)c1ccc(Cl)cc1 ZINC000038254477 358143455 /nfs/dbraw/zinc/14/34/55/358143455.db2.gz XAAPLYUHKZIFDM-JTQLQIEISA-N 0 3 226.659 2.186 10 30 BEEEHN COc1cccc([C@@H](C#N)CCN(C)C)c1 ZINC000041231566 358255286 /nfs/dbraw/zinc/25/52/86/358255286.db2.gz DQSXLAVVLLKLAR-GFCCVEGCSA-N 0 3 218.300 2.254 10 30 BEEEHN C/N=C1\CCN2CCc3ccccc3[C@@H]2C1 ZINC000584605276 358264479 /nfs/dbraw/zinc/26/44/79/358264479.db2.gz ICTYEVZKPMCCKA-YEQVNJDRSA-N 0 3 214.312 2.450 10 30 BEEEHN C=CCNC(=O)CN1CCC[C@@]2(CC=CCC2)C1 ZINC000114494564 358449065 /nfs/dbraw/zinc/44/90/65/358449065.db2.gz BAULRJAQCAMTPD-HNNXBMFYSA-N 0 3 248.370 2.111 10 30 BEEEHN N#CCCCCN1CCO[C@H]2CCCC[C@H]21 ZINC000043425434 358538221 /nfs/dbraw/zinc/53/82/21/358538221.db2.gz RWGUZYXRMIJPLC-OLZOCXBDSA-N 0 3 222.332 2.324 10 30 BEEEHN C#C[C@@H](N)c1cc(C)cc(Br)c1 ZINC000130175197 358670236 /nfs/dbraw/zinc/67/02/36/358670236.db2.gz GLAPYPUITQWJEJ-SNVBAGLBSA-N 0 3 224.101 2.391 10 30 BEEEHN C=C([C@@H](N)c1ccncc1)C(F)(F)F ZINC000306227632 359363851 /nfs/dbraw/zinc/36/38/51/359363851.db2.gz GWWWDYTYGHKRNU-MRVPVSSYSA-N 0 3 202.179 2.200 10 30 BEEEHN C#C[C@H](N)c1ccc(Br)c(F)c1 ZINC000130308135 359338891 /nfs/dbraw/zinc/33/88/91/359338891.db2.gz RTXRHLKGPGGHIN-VIFPVBQESA-N 0 3 228.064 2.221 10 30 BEEEHN N#C[C@@H]1CCCC[C@H]1N[C@@H]1CCSC1 ZINC000231349610 359860862 /nfs/dbraw/zinc/86/08/62/359860862.db2.gz VOIAULJJOFSTIP-HBNTYKKESA-N 0 3 210.346 2.164 10 30 BEEEHN N#Cc1cccc(OCCN2C[C@H]3CCC[C@@H]32)c1 ZINC000435203765 201256074 /nfs/dbraw/zinc/25/60/74/201256074.db2.gz YXPPYCVEYGPXTF-HIFRSBDPSA-N 0 3 242.322 2.421 10 30 BEEEHN NCC#Cc1cccc(COCc2ccco2)c1 ZINC000049610366 181346155 /nfs/dbraw/zinc/34/61/55/181346155.db2.gz WRKKMTRGOCGDSU-UHFFFAOYSA-N 0 3 241.290 2.307 10 30 BEEEHN NCC#Cc1cc(COCC2CC2)ccc1F ZINC000049610853 181346190 /nfs/dbraw/zinc/34/61/90/181346190.db2.gz UGNLGKUHIPPKKW-UHFFFAOYSA-N 0 3 233.286 2.063 10 30 BEEEHN NCC#Cc1ccc(COCC(F)(F)F)cc1 ZINC000049610352 181346245 /nfs/dbraw/zinc/34/62/45/181346245.db2.gz CFIJQBQNFIODKZ-UHFFFAOYSA-N 0 3 243.228 2.076 10 30 BEEEHN CCOC(=O)C(C=O)c1ccc(SC)cc1 ZINC000144099324 368413241 /nfs/dbraw/zinc/41/32/41/368413241.db2.gz JYZAPKXPFIWNLQ-NSHDSACASA-N 0 3 238.308 2.254 10 30 BEEEHN C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C#N)CS1 ZINC000251716593 369908702 /nfs/dbraw/zinc/90/87/02/369908702.db2.gz BWBUGKDQRXPXNI-RCWTZXSCSA-N 0 3 210.346 2.162 10 30 BEEEHN C#C[C@H](N)[C@H](C)Oc1cccc(Cl)c1 ZINC000163753705 372047510 /nfs/dbraw/zinc/04/75/10/372047510.db2.gz NTBFTKCWZZXCAH-KWQFWETISA-N 0 3 209.676 2.068 10 30 BEEEHN CCC[C@@H](C)C(=O)Nc1ccc(C#CCN)cc1 ZINC000037550995 169353003 /nfs/dbraw/zinc/35/30/03/169353003.db2.gz HQCMCIUHDKQYMN-GFCCVEGCSA-N 0 3 244.338 2.372 10 30 BEEEHN CSC1(CN[C@H]2CCC[C@H]2C#N)CC1 ZINC000235120560 134396003 /nfs/dbraw/zinc/39/60/03/134396003.db2.gz WJWRMMWXAOMUNW-UWVGGRQHSA-N 0 3 210.346 2.164 10 30 BEEEHN CN(Cc1ccccc1)CC(C)(C)C=O ZINC000051175728 384657859 /nfs/dbraw/zinc/65/78/59/384657859.db2.gz MIXVFNSHXRSKAF-UHFFFAOYSA-N 0 3 205.301 2.344 10 30 BEEEHN N#C[C@@H]1CCC[C@H]1NCC[C@H]1CCCCO1 ZINC000300368606 384702279 /nfs/dbraw/zinc/70/22/79/384702279.db2.gz RZEFRRHLRJVASI-YNEHKIRRSA-N 0 3 222.332 2.227 10 30 BEEEHN Cc1cnn([C@H]2CCCN(CCCC#N)C2)c1 ZINC000105900585 384886359 /nfs/dbraw/zinc/88/63/59/384886359.db2.gz OWPOBXYVNXAFCN-ZDUSSCGKSA-N 0 3 232.331 2.132 10 30 BEEEHN COc1ccc(CN[C@H]2C[C@H]2C)cc1C#N ZINC000083730035 384852279 /nfs/dbraw/zinc/85/22/79/384852279.db2.gz LNRPAWRBUSMPNH-SKDRFNHKSA-N 0 3 216.284 2.065 10 30 BEEEHN CO[C@@]1(C)CCN[C@H](c2ccc(C#N)cc2)C1 ZINC000584599229 385473489 /nfs/dbraw/zinc/47/34/89/385473489.db2.gz YTNNVDFOEBYUMZ-KBPBESRZSA-N 0 3 230.311 2.388 10 30 BEEEHN C#CC[C@@H](N)c1coc(Br)c1 ZINC000306999942 385814624 /nfs/dbraw/zinc/81/46/24/385814624.db2.gz BPDHTJIREYJRGJ-SSDOTTSWSA-N 0 3 214.062 2.065 10 30 BEEEHN CC(C)[C@H]1OCC[C@H]1CNCc1ccc(C#N)o1 ZINC000267263911 386308641 /nfs/dbraw/zinc/30/86/41/386308641.db2.gz KWINLMINMJGJSH-SMDDNHRTSA-N 0 3 248.326 2.302 10 30 BEEEHN CN(CCC1CCOCC1)Cc1ccc(C#N)o1 ZINC000129645292 387006679 /nfs/dbraw/zinc/00/66/79/387006679.db2.gz XPKSTBSUSLACIM-UHFFFAOYSA-N 0 3 248.326 2.400 10 30 BEEEHN NCC#Cc1ccc(Br)c(F)c1F ZINC000575520717 387446768 /nfs/dbraw/zinc/44/67/68/387446768.db2.gz SEKXQXWNKPLCST-UHFFFAOYSA-N 0 3 246.054 2.038 10 30 BEEEHN CC1(C)CN(c2ccc(Cl)cc2C#N)CCN1 ZINC000396030084 387522330 /nfs/dbraw/zinc/52/23/30/387522330.db2.gz VUEQMCPJWXKQPT-UHFFFAOYSA-N 0 3 249.745 2.400 10 30 BEEEHN C=C(Cl)CN1CCC[C@@H]1Cn1ccnc1C ZINC000178292908 387921927 /nfs/dbraw/zinc/92/19/27/387921927.db2.gz NBZTYYPRZVSTFL-GFCCVEGCSA-N 0 3 239.750 2.408 10 30 BEEEHN C[C@@H]1C[C@@H](N[C@H]2CCC[C@@H]2C#N)C[C@H](C)O1 ZINC000449237453 388159878 /nfs/dbraw/zinc/15/98/78/388159878.db2.gz BPHSKBDYLYXLKL-MLGHIDQZSA-N 0 3 222.332 2.224 10 30 BEEEHN C=CCOc1ccccc1CNCC1CC(O)C1 ZINC000091538135 388765471 /nfs/dbraw/zinc/76/54/71/388765471.db2.gz FEQDIBVIVUIFCV-UHFFFAOYSA-N 0 3 247.338 2.112 10 30 BEEEHN C[C@H]1CN(c2ccc(C#N)cc2Cl)CCN1 ZINC000062790636 132388431 /nfs/dbraw/zinc/38/84/31/132388431.db2.gz IKBGJXROSQJFKT-VIFPVBQESA-N 0 3 235.718 2.010 10 30 BEEEHN N#C[C@H]1CCC[C@H]1NCCC1CCOCC1 ZINC000309253957 134386669 /nfs/dbraw/zinc/38/66/69/134386669.db2.gz RMCHSAOHABKQEV-CHWSQXEVSA-N 0 3 222.332 2.085 10 30 BEEEHN C=CCNC(=O)[C@H](C)N[C@@H](C)c1ccccc1C ZINC000042220666 135219274 /nfs/dbraw/zinc/21/92/74/135219274.db2.gz GJWAXMMNUQBGDM-STQMWFEESA-N 0 3 246.354 2.336 10 30 BEEEHN C#CCNCCN(C)[C@H](C)c1ccccc1F ZINC000062020932 166187604 /nfs/dbraw/zinc/18/76/04/166187604.db2.gz KYNKVQTXVLMQCA-GFCCVEGCSA-N 0 3 234.318 2.041 10 30 BEEEHN C=CCNCCOc1cccc2cccnc21 ZINC000053585748 166399417 /nfs/dbraw/zinc/39/94/17/166399417.db2.gz QROHMZKTLVMRNH-UHFFFAOYSA-N 0 3 228.295 2.389 10 30 BEEEHN CC1CCC(CO)(N[C@H]2CCC[C@H]2C#N)CC1 ZINC000054829924 168157052 /nfs/dbraw/zinc/15/70/52/168157052.db2.gz GAIANRRMLGEFCQ-QPPOZKHWSA-N 0 3 236.359 2.209 10 30 BEEEHN CCNCc1cnn(-c2ccc(C#N)cc2)c1C ZINC000042355763 170130282 /nfs/dbraw/zinc/13/02/82/170130282.db2.gz AFLRPHBMLWCGRH-UHFFFAOYSA-N 0 3 240.310 2.162 10 30 BEEEHN CC[C@H](C)OCc1ccc(F)c(C#CCN)c1 ZINC000049611116 171355301 /nfs/dbraw/zinc/35/53/01/171355301.db2.gz HWYVZRWAIXCYFM-NSHDSACASA-N 0 3 235.302 2.451 10 30 BEEEHN CN1CCC[C@@H](c2cccc(C#N)c2)C1 ZINC000013738274 173022530 /nfs/dbraw/zinc/02/25/30/173022530.db2.gz WTTCSLJBJDWDOC-CYBMUJFWSA-N 0 3 200.285 2.367 10 30 BEEEHN CN1CC[C@H](Nc2ccc(C#N)c(Cl)c2)C1 ZINC000061846299 173155086 /nfs/dbraw/zinc/15/50/86/173155086.db2.gz AXXQRBPWYWMBAE-NSHDSACASA-N 0 3 235.718 2.328 10 30 BEEEHN CNCc1cccc(OC)c1OCCCCC#N ZINC000049578305 173389713 /nfs/dbraw/zinc/38/97/13/173389713.db2.gz OPJDRRPNURSWBL-UHFFFAOYSA-N 0 3 248.326 2.487 10 30 BEEEHN COCCCN(C)[C@@H]1C[C@@H](C)CC[C@@H]1C#N ZINC000062031465 174219791 /nfs/dbraw/zinc/21/97/91/174219791.db2.gz KKAQJFIZMAPTQV-YNEHKIRRSA-N 0 3 224.348 2.283 10 30 BEEEHN COc1ccc(C#CCN)cc1COC(C)(C)C ZINC000049610919 175051515 /nfs/dbraw/zinc/05/15/15/175051515.db2.gz IIKACKMCIRCUAK-UHFFFAOYSA-N 0 3 247.338 2.321 10 30 BEEEHN COc1ccc(CNC2=NC[C@@H](C)S2)cc1 ZINC000020354385 175083353 /nfs/dbraw/zinc/08/33/53/175083353.db2.gz NMQZKGRBCFOFAY-SECBINFHSA-N 0 3 236.340 2.276 10 30 BEEEHN COc1ccc(COC(C)(C)C)cc1C#CCN ZINC000049610920 175113520 /nfs/dbraw/zinc/11/35/20/175113520.db2.gz KENHSMOWTMOEPD-UHFFFAOYSA-N 0 3 247.338 2.321 10 30 BEEEHN C[C@@H]1CCCN1Cc1ccc(C#CCO)cc1F ZINC000049615242 176108788 /nfs/dbraw/zinc/10/87/88/176108788.db2.gz QGIVQGKRGLHDMX-GFCCVEGCSA-N 0 3 247.313 2.154 10 30 BEEEHN C[C@@H]1CSC(NCc2cccc(C#N)c2)=N1 ZINC000051667926 176349338 /nfs/dbraw/zinc/34/93/38/176349338.db2.gz OZPPVCKNRGQSRT-SECBINFHSA-N 0 3 231.324 2.139 10 30 BEEEHN C[C@H]1CCCN1Cc1ccc(C#CCO)cc1F ZINC000049615245 177110828 /nfs/dbraw/zinc/11/08/28/177110828.db2.gz QGIVQGKRGLHDMX-LBPRGKRZSA-N 0 3 247.313 2.154 10 30 BEEEHN C[C@H]1CN=C(NCc2ccccc2F)S1 ZINC000035294995 177279213 /nfs/dbraw/zinc/27/92/13/177279213.db2.gz WRQHEBKHOSHASZ-QMMMGPOBSA-N 0 3 224.304 2.407 10 30 BEEEHN C=C[C@H](C)NCc1cc(OC)c2c(c1)OCCO2 ZINC000123180584 324093861 /nfs/dbraw/zinc/09/38/61/324093861.db2.gz LLYBOVUJNBYWMH-JTQLQIEISA-N 0 3 249.310 2.131 10 30 BEEEHN C=C(C)COCCNCc1ccc2c[nH]nc2c1 ZINC000134501330 325361992 /nfs/dbraw/zinc/36/19/92/325361992.db2.gz DYPSBAXQIOTXDL-UHFFFAOYSA-N 0 3 245.326 2.245 10 30 BEEEHN C#CCNCCSCc1ccc(CC)o1 ZINC000757172763 582551720 /nfs/dbraw/zinc/55/17/20/582551720.db2.gz ZTPFTFJPGZIRGE-UHFFFAOYSA-N 0 3 223.341 2.298 10 30 BEEEHN C=CCCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000102222040 534621591 /nfs/dbraw/zinc/62/15/91/534621591.db2.gz UFEVJFYACVIHQN-AWEZNQCLSA-N 0 3 246.354 2.372 10 30 BEEEHN C=CCCCN(C)CC(=O)N[C@@H](C)C(C)C ZINC000121084787 534707668 /nfs/dbraw/zinc/70/76/68/534707668.db2.gz SHSVZKYWFMUSMH-LBPRGKRZSA-N 0 3 226.364 2.045 10 30 BEEEHN C=CCCCN(C)[C@@H](C)C(=O)NCCCC ZINC000121158629 534712429 /nfs/dbraw/zinc/71/24/29/534712429.db2.gz FTGNINNBFJDHOB-LBPRGKRZSA-N 0 3 226.364 2.189 10 30 BEEEHN C=CCCCN(C)[C@@H](C)C(=O)NCCC(C)C ZINC000121158972 534712072 /nfs/dbraw/zinc/71/20/72/534712072.db2.gz KEXYIJOJSILCAW-ZDUSSCGKSA-N 0 3 240.391 2.435 10 30 BEEEHN C=CCCCN(C)[C@H](C)C(=O)NCC(C)C ZINC000121064497 534713017 /nfs/dbraw/zinc/71/30/17/534713017.db2.gz NJSBWRBNAAQLTF-GFCCVEGCSA-N 0 3 226.364 2.045 10 30 BEEEHN CC(C)(C#N)N1CCN(C2CCCCC2)CC1 ZINC000109458621 534999172 /nfs/dbraw/zinc/99/91/72/534999172.db2.gz UKMRDKHWQPPMBD-UHFFFAOYSA-N 0 3 235.375 2.239 10 30 BEEEHN C[C@H]1CCCN(Cc2cc(C#CCO)cs2)C1 ZINC000043692276 582806130 /nfs/dbraw/zinc/80/61/30/582806130.db2.gz CHIFYIDEVCDWFH-LBPRGKRZSA-N 0 3 249.379 2.324 10 30 BEEEHN C=CCN(C)C[C@H](O)c1ccc(F)cc1C ZINC000127142101 583375597 /nfs/dbraw/zinc/37/55/97/583375597.db2.gz HXAFPXFZJBMVHY-ZDUSSCGKSA-N 0 3 223.291 2.285 10 30 BEEEHN CCN(CC)CC#C[C@@H](C)OC(=O)C=C(C)C ZINC000119419743 589282865 /nfs/dbraw/zinc/28/28/65/589282865.db2.gz NWMPJTJHQBIYRU-CYBMUJFWSA-N 0 3 237.343 2.230 10 30 BEEEHN CCN(CC)CC#C[C@H](C)OC(=O)C=C(C)C ZINC000119419878 589282877 /nfs/dbraw/zinc/28/28/77/589282877.db2.gz NWMPJTJHQBIYRU-ZDUSSCGKSA-N 0 3 237.343 2.230 10 30 BEEEHN CCN(CC)CC#C[C@@H](C)OC(=O)CC(C)C ZINC000121605319 589520593 /nfs/dbraw/zinc/52/05/93/589520593.db2.gz LVPSWRZAXYSBDT-CYBMUJFWSA-N 0 3 239.359 2.309 10 30 BEEEHN CO[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C#N)C12CCC2 ZINC000308341528 631295319 /nfs/dbraw/zinc/29/53/19/631295319.db2.gz BZICMZYFEQCYPD-FVCCEPFGSA-N 0 3 234.343 2.226 10 30 BEEEHN CO[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C#N)C12CCC2 ZINC000308341530 631295613 /nfs/dbraw/zinc/29/56/13/631295613.db2.gz BZICMZYFEQCYPD-QNWHQSFQSA-N 0 3 234.343 2.226 10 30 BEEEHN N#CC(C(=O)[C@@H]1C[C@@H]1C1CC1)c1ccccn1 ZINC000176088328 631559840 /nfs/dbraw/zinc/55/98/40/631559840.db2.gz AZHVKVSANIDIJG-UTUOFQBUSA-N 0 3 226.279 2.304 10 30 BEEEHN N#C[C@H]1CCCC[C@H]1NCC1(O)CCCCC1 ZINC000087029124 644494757 /nfs/dbraw/zinc/49/47/57/644494757.db2.gz WWCMSRIKJRAMQS-CHWSQXEVSA-N 0 3 236.359 2.354 10 30 BEEEHN C#CCN[C@H](C)c1ccc(OC)c(C)c1 ZINC000134787679 711558880 /nfs/dbraw/zinc/55/88/80/711558880.db2.gz OOMZOMCPOQUQTF-LLVKDONJSA-N 0 3 203.285 2.287 10 30 BEEEHN