smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CCCCC#N)Cc1ccc(Cl)c(Cl)c1 ZINC000096971844 185144873 /nfs/dbraw/zinc/14/48/73/185144873.db2.gz OTUACXACTZMFGT-UHFFFAOYSA-N 0 3 271.191 4.119 20 30 CIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cc2c(s1)CCC2 ZINC000573488561 334941759 /nfs/dbraw/zinc/94/17/59/334941759.db2.gz MXCQVRAGGZFFDJ-ZDUSSCGKSA-N 0 3 296.439 4.154 20 30 CIEDHN CN(Cc1ccc(C#N)cc1)Cc1cccc(C(F)F)c1 ZINC000347966344 529983635 /nfs/dbraw/zinc/98/36/35/529983635.db2.gz MMHRITLNSHBJAS-UHFFFAOYSA-N 0 3 286.325 4.128 20 30 CIEDHN Cc1cc(CNCc2cc3c(s2)CCCC3)ccc1C#N ZINC000574391086 335015285 /nfs/dbraw/zinc/01/52/85/335015285.db2.gz WTLRIHQPICKLDJ-UHFFFAOYSA-N 0 3 296.439 4.097 20 30 CIEDHN CC(C)CC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000512621242 260023154 /nfs/dbraw/zinc/02/31/54/260023154.db2.gz VSUHJZMIPYHMNW-CHWSQXEVSA-N 0 3 262.372 4.173 20 30 CIEDHN C=CCSCCN[C@@H](C)c1oc2ccccc2c1C ZINC000221941666 262333053 /nfs/dbraw/zinc/33/30/53/262333053.db2.gz OWJKWYXCTDEABG-ZDUSSCGKSA-N 0 3 275.417 4.311 20 30 CIEDHN C[C@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccc(F)cc1 ZINC000341705991 129986711 /nfs/dbraw/zinc/98/67/11/129986711.db2.gz PPRKETUNRRZVDY-ORAYPTAESA-N 0 3 294.373 4.426 20 30 CIEDHN C[C@@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000341749993 130019663 /nfs/dbraw/zinc/01/96/63/130019663.db2.gz DTGXIVSUGJMGFP-KUHUBIRLSA-N 0 3 276.383 4.286 20 30 CIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@H]1CCc2ccccc21 ZINC000341756578 130024697 /nfs/dbraw/zinc/02/46/97/130024697.db2.gz FRWUWNLCOPKQOB-PMACEKPBSA-N 0 3 288.394 4.213 20 30 CIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@@H]1CCCc2occc21 ZINC000341759952 130026747 /nfs/dbraw/zinc/02/67/47/130026747.db2.gz JJARLTMNMKEUFJ-QZTJIDSGSA-N 0 3 292.382 4.196 20 30 CIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1cccs1 ZINC000341763458 130028767 /nfs/dbraw/zinc/02/87/67/130028767.db2.gz YVKIKRQELPPGNC-LRDDRELGSA-N 0 3 282.412 4.348 20 30 CIEDHN C[C@H](N[C@@H](C)c1cccc(F)c1)c1ccc(C#N)cc1 ZINC000020147841 171035482 /nfs/dbraw/zinc/03/54/82/171035482.db2.gz ZVWSNNKEEDGEJV-STQMWFEESA-N 0 3 268.335 4.109 20 30 CIEDHN CSc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000035256349 172085902 /nfs/dbraw/zinc/08/59/02/172085902.db2.gz NLYNKKIMSHZLME-ZDUSSCGKSA-N 0 3 282.412 4.131 20 30 CIEDHN N#CCCC[C@H](NCc1cccc(C#N)c1)c1ccccc1 ZINC000353911382 226813903 /nfs/dbraw/zinc/81/39/03/226813903.db2.gz BRZIDHKQYCXOCJ-IBGZPJMESA-N 0 3 289.382 4.083 20 30 CIEDHN N#CCCCN1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000352544072 227050424 /nfs/dbraw/zinc/05/04/24/227050424.db2.gz NJNQXSZXDXLUNV-AWEZNQCLSA-N 0 3 296.336 4.189 20 30 CIEDHN N#Cc1ccc2c(c1)[C@H](NCc1ccc(C3CC3)cc1)CC2 ZINC000353597992 228128076 /nfs/dbraw/zinc/12/80/76/228128076.db2.gz RJZQZDQRFJLXAL-HXUWFJFHSA-N 0 3 288.394 4.213 20 30 CIEDHN CC[C@H](NCc1cccc(C#N)c1)c1cccc(Cl)c1 ZINC000036921336 260051767 /nfs/dbraw/zinc/05/17/67/260051767.db2.gz WXNQWASANGMNIS-KRWDZBQOSA-N 0 3 284.790 4.453 20 30 CIEDHN Cc1cc(CN[C@H](C)c2ccc(C#N)cc2)ccc1Cl ZINC000180786734 260111307 /nfs/dbraw/zinc/11/13/07/260111307.db2.gz IDLOQHDDTZOFQQ-CYBMUJFWSA-N 0 3 284.790 4.371 20 30 CIEDHN Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000037508448 260113501 /nfs/dbraw/zinc/11/35/01/260113501.db2.gz YLSWJHFIKQZJCU-CABCVRRESA-N 0 3 264.372 4.279 20 30 CIEDHN N#CCCCCN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000071016263 260271737 /nfs/dbraw/zinc/27/17/37/260271737.db2.gz MKFJWQNILCZQOK-CQSZACIVSA-N 0 3 285.416 4.127 20 30 CIEDHN CC[C@@H](C)[C@@H](C)N(Cc1cc(C#N)ccc1F)C1CC1 ZINC000517908935 260316603 /nfs/dbraw/zinc/31/66/03/260316603.db2.gz RPMUCVWPCKNZAW-CHWSQXEVSA-N 0 3 274.383 4.096 20 30 CIEDHN Cc1ccc([C@H]2C[C@H](C)CCN2CCCSCC#N)o1 ZINC000080629680 260317453 /nfs/dbraw/zinc/31/74/53/260317453.db2.gz MQHRNKINWXAKLM-UKRRQHHQSA-N 0 3 292.448 4.008 20 30 CIEDHN N#CCCCCN(Cc1cc(F)ccc1F)C1CCCC1 ZINC000083446699 260350850 /nfs/dbraw/zinc/35/08/50/260350850.db2.gz COOMRYLIEZNUEB-UHFFFAOYSA-N 0 3 292.373 4.403 20 30 CIEDHN C=C[C@H](C)N[C@@H](CC)c1cccc(Br)c1 ZINC000157283765 260834768 /nfs/dbraw/zinc/83/47/68/260834768.db2.gz YTGLWOCLCKOWFR-GWCFXTLKSA-N 0 3 268.198 4.064 20 30 CIEDHN CSc1cc(C)ccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000151727629 261054841 /nfs/dbraw/zinc/05/48/41/261054841.db2.gz BAIRBSUKCHTEHF-CQSZACIVSA-N 0 3 296.439 4.439 20 30 CIEDHN C=C(C)COCCN[C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000318432044 261080852 /nfs/dbraw/zinc/08/08/52/261080852.db2.gz MIKOUMFQTHHRDV-HNNXBMFYSA-N 0 3 299.414 4.092 20 30 CIEDHN C[C@H]1CCCc2ccccc2[C@H]1NCc1ccc(C#N)cc1 ZINC000462547509 261347913 /nfs/dbraw/zinc/34/79/13/261347913.db2.gz HFYPEGGDEDTEBW-YWZLYKJASA-N 0 3 290.410 4.362 20 30 CIEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(OC(F)F)cc1 ZINC000185768021 262069994 /nfs/dbraw/zinc/06/99/94/262069994.db2.gz AYZMJYJISRCKKB-DYEKYZERSA-N 0 3 294.345 4.021 20 30 CIEDHN Cc1ccc(O)c([C@H](C)N[C@H](CCC#N)c2ccccc2)c1 ZINC000186150636 262082040 /nfs/dbraw/zinc/08/20/40/262082040.db2.gz KAUQQMCTCDCRLL-MAUKXSAKSA-N 0 3 294.398 4.396 20 30 CIEDHN N#CCC[C@@H](N[C@@H]1CCC12CCCC2)c1ccccc1 ZINC000189179680 262168430 /nfs/dbraw/zinc/16/84/30/262168430.db2.gz ICEKWPOOLJFDGA-IAGOWNOFSA-N 0 3 268.404 4.344 20 30 CIEDHN C=CCOc1ccc(CN[C@H](C)c2cccc(F)c2)cc1 ZINC000020148053 262194876 /nfs/dbraw/zinc/19/48/76/262194876.db2.gz DQJYVQCAQUJZNA-CQSZACIVSA-N 0 3 285.362 4.241 20 30 CIEDHN CC(C)(C#N)CCCN1CCSC[C@H]1c1cccs1 ZINC000364332641 262204485 /nfs/dbraw/zinc/20/44/85/262204485.db2.gz BBASRUXNXHVLLL-ZDUSSCGKSA-N 0 3 294.489 4.168 20 30 CIEDHN C=CCSCCN[C@@H](C)c1ccccc1C(F)(F)F ZINC000221939507 262333005 /nfs/dbraw/zinc/33/30/05/262333005.db2.gz CALJDADQRUTWKG-NSHDSACASA-N 0 3 289.366 4.275 20 30 CIEDHN C=CCCOCCN[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000319928713 262378559 /nfs/dbraw/zinc/37/85/59/262378559.db2.gz HNEREHJYMHYJKG-OAHLLOKOSA-N 0 3 299.414 4.092 20 30 CIEDHN CC(C)Oc1ccc([C@@H](C)NCc2cccc(C#N)c2)cc1 ZINC000061078991 262392166 /nfs/dbraw/zinc/39/21/66/262392166.db2.gz JEHQGOCDUPOCRY-OAHLLOKOSA-N 0 3 294.398 4.196 20 30 CIEDHN Cc1cccc2nc(C3CCN([C@H](C)CCC#N)CC3)oc21 ZINC000411610655 262700136 /nfs/dbraw/zinc/70/01/36/262700136.db2.gz NAYMAAJBPDOLFX-CQSZACIVSA-N 0 3 297.402 4.008 20 30 CIEDHN C=C(C)CCN[C@@H](C)c1csc(-c2ccccc2)n1 ZINC000414136705 262809244 /nfs/dbraw/zinc/80/92/44/262809244.db2.gz DNINVPPHYCKMHI-ZDUSSCGKSA-N 0 3 272.417 4.427 20 30 CIEDHN COc1cccc(C=C2CCN(CCC(C)(C)C#N)CC2)c1 ZINC000272003555 263001015 /nfs/dbraw/zinc/00/10/15/263001015.db2.gz IIELUHOUCXPHIM-UHFFFAOYSA-N 0 3 298.430 4.114 20 30 CIEDHN CC[C@H](NCCC(C)(C)C#N)c1ccccc1OC(F)F ZINC000272000175 263001164 /nfs/dbraw/zinc/00/11/64/263001164.db2.gz HLXJACWHTCIJPR-ZDUSSCGKSA-N 0 3 296.361 4.269 20 30 CIEDHN C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(C)(C#N)CC1 ZINC000272618585 263007563 /nfs/dbraw/zinc/00/75/63/263007563.db2.gz UKLZIJNGXNHCAM-LBPRGKRZSA-N 0 3 296.336 4.392 20 30 CIEDHN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(C)(C#N)CC1 ZINC000272618583 263007572 /nfs/dbraw/zinc/00/75/72/263007572.db2.gz UKLZIJNGXNHCAM-GFCCVEGCSA-N 0 3 296.336 4.392 20 30 CIEDHN CC[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(Cl)s1 ZINC000274659179 263029119 /nfs/dbraw/zinc/02/91/19/263029119.db2.gz VHUCGTFIUAEXPD-MXWKQRLJSA-N 0 3 268.813 4.134 20 30 CIEDHN N#C[C@H]1CC[C@H](NC(c2ccccc2)c2ccccc2)C1 ZINC000274617284 263027903 /nfs/dbraw/zinc/02/79/03/263027903.db2.gz LNTYJGCDCONUFY-YJBOKZPZSA-N 0 3 276.383 4.058 20 30 CIEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000276341083 263036459 /nfs/dbraw/zinc/03/64/59/263036459.db2.gz HARMSOYPHWNSFX-NSHDSACASA-N 0 3 284.325 4.296 20 30 CIEDHN Cc1nc(C)c([C@@H](C)N(C)CCCCC(C)(C)C#N)s1 ZINC000277861272 263043934 /nfs/dbraw/zinc/04/39/34/263043934.db2.gz YBPFDCYUXYLFKV-CYBMUJFWSA-N 0 3 293.480 4.473 20 30 CIEDHN CSc1ccc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)cc1 ZINC000281825536 263072102 /nfs/dbraw/zinc/07/21/02/263072102.db2.gz ZVMUYWLAAFEKCO-VNHYZAJKSA-N 0 3 274.433 4.141 20 30 CIEDHN CSc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000281825540 263072192 /nfs/dbraw/zinc/07/21/92/263072192.db2.gz ZVMUYWLAAFEKCO-YDHLFZDLSA-N 0 3 274.433 4.141 20 30 CIEDHN Cc1cc(C)cc(C2=CCN([C@H]3CC[C@@H](C#N)C3)CC2)c1 ZINC000293714043 263147632 /nfs/dbraw/zinc/14/76/32/263147632.db2.gz FAAWRAMFVATEKB-APWZRJJASA-N 0 3 280.415 4.085 20 30 CIEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cncs1 ZINC000340445910 263152472 /nfs/dbraw/zinc/15/24/72/263152472.db2.gz MDFQIMSZMLYUIS-ZFWWWQNUSA-N 0 3 285.416 4.229 20 30 CIEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccnc1 ZINC000340451048 263155633 /nfs/dbraw/zinc/15/56/33/263155633.db2.gz ZJNGBFLFDPGVEK-YJBOKZPZSA-N 0 3 279.387 4.167 20 30 CIEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000298459584 263219867 /nfs/dbraw/zinc/21/98/67/263219867.db2.gz IBPWIXUEEQZSKP-QWRGUYRKSA-N 0 3 270.298 4.048 20 30 CIEDHN CC[C@H](N[C@@H](C)CCC#N)c1ccccc1OC(F)F ZINC000299733116 263253922 /nfs/dbraw/zinc/25/39/22/263253922.db2.gz YGPVXPBOYKAPSW-AAEUAGOBSA-N 0 3 282.334 4.021 20 30 CIEDHN C[C@@H](N[C@@H](C)CCC#N)c1cccc(C(F)(F)F)c1 ZINC000299733977 263254420 /nfs/dbraw/zinc/25/44/20/263254420.db2.gz ZEJXPOCOPQTJOX-WDEREUQCSA-N 0 3 270.298 4.048 20 30 CIEDHN CC(C)[C@@H]1CC[C@@H]1N[C@@H](CCC#N)c1ccccc1 ZINC000353632931 263282380 /nfs/dbraw/zinc/28/23/80/263282380.db2.gz QTGCNLKXQWPMPG-ULQDDVLXSA-N 0 3 256.393 4.056 20 30 CIEDHN CC(C)[C@@H](NCCCC#N)c1cc2ccccc2o1 ZINC000341865573 263357028 /nfs/dbraw/zinc/35/70/28/263357028.db2.gz HEPZKKMBUIJJRD-MRXNPFEDSA-N 0 3 256.349 4.023 20 30 CIEDHN Cc1sccc1CN(C)[C@H](C)c1cccc(C#N)c1 ZINC000425368892 264212921 /nfs/dbraw/zinc/21/29/21/264212921.db2.gz YEEJLUNYABADET-GFCCVEGCSA-N 0 3 270.401 4.121 20 30 CIEDHN Cc1cc(CN(C)[C@@H](C)c2cccc(C#N)c2)cc(C)c1O ZINC000425367831 264213502 /nfs/dbraw/zinc/21/35/02/264213502.db2.gz VCSAIWOEKVHANW-HNNXBMFYSA-N 0 3 294.398 4.074 20 30 CIEDHN N#CCCNC(CCc1ccccc1)CCc1ccccc1 ZINC000425985456 264264185 /nfs/dbraw/zinc/26/41/85/264264185.db2.gz QSQRSARGKKQNLR-UHFFFAOYSA-N 0 3 292.426 4.124 20 30 CIEDHN C=C[C@H](C)N[C@H](CC)c1cccc(Br)c1 ZINC000157283916 264285274 /nfs/dbraw/zinc/28/52/74/264285274.db2.gz YTGLWOCLCKOWFR-GXFFZTMASA-N 0 3 268.198 4.064 20 30 CIEDHN C=CCOc1ccc(C[NH2+][C@H](C)c2ccc(C)cc2[O-])cc1 ZINC000287401255 264630006 /nfs/dbraw/zinc/63/00/06/264630006.db2.gz JDKZJSSTJWWFDB-OAHLLOKOSA-N 0 3 297.398 4.116 20 30 CIEDHN CCN(Cc1cc(C#N)cs1)Cc1c[nH]c2ccccc12 ZINC000191189010 265167534 /nfs/dbraw/zinc/16/75/34/265167534.db2.gz POWFMHVUZAZUQX-UHFFFAOYSA-N 0 3 295.411 4.123 20 30 CIEDHN CC(C)[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000093492198 265181179 /nfs/dbraw/zinc/18/11/79/265181179.db2.gz BIEUJBCNKFSAMR-MRXNPFEDSA-N 0 3 270.401 4.107 20 30 CIEDHN CC(C)[C@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000093492197 265182005 /nfs/dbraw/zinc/18/20/05/265182005.db2.gz BIEUJBCNKFSAMR-INIZCTEOSA-N 0 3 270.401 4.107 20 30 CIEDHN C[C@H](NCc1cc(C#N)cs1)c1ccc(Cl)cc1 ZINC000093492060 265182481 /nfs/dbraw/zinc/18/24/81/265182481.db2.gz LGZWTYJLRMQSHR-JTQLQIEISA-N 0 3 276.792 4.124 20 30 CIEDHN Cc1ccc(C)c([C@@H](C)NCc2cccc(C#N)c2)c1 ZINC000011039498 265230735 /nfs/dbraw/zinc/23/07/35/265230735.db2.gz IGNNUBWGLIDFHT-OAHLLOKOSA-N 0 3 264.372 4.026 20 30 CIEDHN C=CCN(CC=C)Cc1ccc(-c2ccccc2C#N)cc1 ZINC000514129122 265994463 /nfs/dbraw/zinc/99/44/63/265994463.db2.gz SDLGFWSJMCYMMG-UHFFFAOYSA-N 0 3 288.394 4.399 20 30 CIEDHN C=CCSCCN[C@H]1CCCOc2c(Cl)cccc21 ZINC000358022218 266399733 /nfs/dbraw/zinc/39/97/33/266399733.db2.gz ILUHFCVEYBAIOY-AWEZNQCLSA-N 0 3 297.851 4.063 20 30 CIEDHN Cc1cc(C(F)(F)F)ccc1CN[C@@H]1CCC[C@@H](C#N)C1 ZINC000193335123 266667833 /nfs/dbraw/zinc/66/78/33/266667833.db2.gz WPMWZZGYSIXZTO-IUODEOHRSA-N 0 3 296.336 4.186 20 30 CIEDHN CC(C)(CCC#N)CN1CCC[C@H]1c1ccc(F)c(F)c1 ZINC000367460724 267091246 /nfs/dbraw/zinc/09/12/46/267091246.db2.gz IAEHZSLGADXQST-INIZCTEOSA-N 0 3 292.373 4.432 20 30 CIEDHN COc1ccc(C2=CCN(CCCC(C)(C)C#N)CC2)cc1 ZINC000370002609 267283085 /nfs/dbraw/zinc/28/30/85/267283085.db2.gz QUVUCMNBAQJTSN-UHFFFAOYSA-N 0 3 298.430 4.114 20 30 CIEDHN CC(C)(C#N)CCCN1CCS[C@@H](c2ccccc2)C1 ZINC000370002538 267283282 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4.205 20 30 CIEDHN C[C@@H](Cc1ccc(C(C)(C)C)cc1)CN1CCC(C#N)CC1 ZINC000540465898 333730921 /nfs/dbraw/zinc/73/09/21/333730921.db2.gz BKRQNYOYNFHPGS-INIZCTEOSA-N 0 3 298.474 4.398 20 30 CIEDHN CC(C)(C#N)CCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000540665759 333741025 /nfs/dbraw/zinc/74/10/25/333741025.db2.gz SMYIOTKSSRXECT-GOSISDBHSA-N 0 3 296.389 4.445 20 30 CIEDHN CCCCCOc1ccc([C@H](C)NCCCC#N)cc1 ZINC000541569458 333781332 /nfs/dbraw/zinc/78/13/32/333781332.db2.gz BZLXEFAKCLDALW-HNNXBMFYSA-N 0 3 274.408 4.210 20 30 CIEDHN C[C@H](NCCCC#N)c1ccc(-c2ccccc2)s1 ZINC000541777204 333792276 /nfs/dbraw/zinc/79/22/76/333792276.db2.gz ZQMRJWZSVKDGAL-ZDUSSCGKSA-N 0 3 270.401 4.369 20 30 CIEDHN C[C@@H](NC/C=C\c1ccccc1)c1ccc(C#N)c(F)c1 ZINC000541846798 333794244 /nfs/dbraw/zinc/79/42/44/333794244.db2.gz VNPTZCDGEFNYDD-BMWLXYDHSA-N 0 3 280.346 4.061 20 30 CIEDHN C=CCCC[C@@H](C)N[C@@H](C)c1csc(CC)n1 ZINC000542573790 333832629 /nfs/dbraw/zinc/83/26/29/333832629.db2.gz KYUHBJGXCFBWHP-NEPJUHHUSA-N 0 3 252.427 4.101 20 30 CIEDHN CC(C)c1ccc([C@@H](C)N2CCC(C)(C#N)CC2)cc1 ZINC000542256706 333818819 /nfs/dbraw/zinc/81/88/19/333818819.db2.gz YSDGBIQOMRHSKJ-OAHLLOKOSA-N 0 3 270.420 4.497 20 30 CIEDHN CC#CCN[C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000543516494 333878890 /nfs/dbraw/zinc/87/88/90/333878890.db2.gz WLYAAEGFSVMBIX-CYBMUJFWSA-N 0 3 284.428 4.101 20 30 CIEDHN Cc1csc(C(C#N)C(=O)c2cccc(C3CCC3)c2)n1 ZINC000546679893 334045602 /nfs/dbraw/zinc/04/56/02/334045602.db2.gz PFHRVPYUNRUKDS-HNNXBMFYSA-N 0 3 296.395 4.209 20 30 CIEDHN CC(C)CC[C@@H](NCc1ccc(C#N)o1)C(C)(C)C ZINC000236609226 334058949 /nfs/dbraw/zinc/05/89/49/334058949.db2.gz PKQUNBSMKWVTBS-OAHLLOKOSA-N 0 3 262.397 4.092 20 30 CIEDHN N#Cc1cc(Cl)ccc1CN(C1CC1)C1CCCC1 ZINC000548487121 334160046 /nfs/dbraw/zinc/16/00/46/334160046.db2.gz FWNJYDSGJSXZSX-UHFFFAOYSA-N 0 3 274.795 4.119 20 30 CIEDHN C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(C#N)cc1 ZINC000080339924 334170625 /nfs/dbraw/zinc/17/06/25/334170625.db2.gz VXDIPKMKOKTQKI-YJYMSZOUSA-N 0 3 294.373 4.111 20 30 CIEDHN Cc1c2ccccc2oc1[C@H](C)N[C@H]1CC[C@H](C#N)C1 ZINC000549931333 334209485 /nfs/dbraw/zinc/20/94/85/334209485.db2.gz JADUSGRRLBRLDU-IHRRRGAJSA-N 0 3 268.360 4.084 20 30 CIEDHN CC[C@H]1CC[C@H](N[C@H](C)c2ccc(C#N)cc2F)CC1 ZINC000550830780 334229669 /nfs/dbraw/zinc/22/96/69/334229669.db2.gz HJBUVCFKVFKQJI-UMVBOHGHSA-N 0 3 274.383 4.317 20 30 CIEDHN C=CCC[C@@H](NC[C@H](CO)CC1CCCC1)c1ccco1 ZINC000552055955 334282646 /nfs/dbraw/zinc/28/26/46/334282646.db2.gz KUNMLWQYKRLZLR-IAGOWNOFSA-N 0 3 291.435 4.065 20 30 CIEDHN C=CCC[C@@H](NC[C@@](C)(O)C1CCCCC1)c1ccco1 ZINC000552068184 334285283 /nfs/dbraw/zinc/28/52/83/334285283.db2.gz MIMDSGLNMKLKLD-SJLPKXTDSA-N 0 3 291.435 4.208 20 30 CIEDHN N#Cc1cccc(CN2CC[C@@H](c3cccc(Cl)c3)C2)c1 ZINC000552084846 334287165 /nfs/dbraw/zinc/28/71/65/334287165.db2.gz BMYAVIAAFOUSSA-QGZVFWFLSA-N 0 3 296.801 4.201 20 30 CIEDHN COc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000553790898 334399086 /nfs/dbraw/zinc/39/90/86/334399086.db2.gz GIKRDHXTYZLBMO-QWHCGFSZSA-N 0 3 298.361 4.118 20 30 CIEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1cccc(OC)c1 ZINC000566221937 334636910 /nfs/dbraw/zinc/63/69/10/334636910.db2.gz XGTQVMCUAALZPW-IBGZPJMESA-N 0 3 294.398 4.002 20 30 CIEDHN CCC[C@@H](NCc1ccc(CC#N)cc1)c1ccsc1 ZINC000566737812 334662504 /nfs/dbraw/zinc/66/25/04/334662504.db2.gz OTKASUHVMBOXFT-QGZVFWFLSA-N 0 3 284.428 4.445 20 30 CIEDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)c1ccc(C#N)cc1 ZINC000268786768 334716061 /nfs/dbraw/zinc/71/60/61/334716061.db2.gz CUWSLAKXEIAJDG-CABCVRRESA-N 0 3 293.414 4.036 20 30 CIEDHN C=CCC[C@H](CCC)N[C@H](C)c1c(F)cncc1F ZINC000577306758 335337644 /nfs/dbraw/zinc/33/76/44/335337644.db2.gz VHVRKKLKLBKYET-NEPJUHHUSA-N 0 3 268.351 4.145 20 30 CIEDHN Cc1cc(C)cc([C@H](C)NCc2cc(C#N)cs2)c1 ZINC000177698109 335379770 /nfs/dbraw/zinc/37/97/70/335379770.db2.gz DREVWYUYGHLJSR-ZDUSSCGKSA-N 0 3 270.401 4.087 20 30 CIEDHN CC1(C)C[C@H](NCc2cccc(C#N)c2)c2ccccc21 ZINC000177898085 335405330 /nfs/dbraw/zinc/40/53/30/335405330.db2.gz PQCVNXMOGWNHAF-SFHVURJKSA-N 0 3 276.383 4.070 20 30 CIEDHN C=CC[C@H](C)N[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000180949572 335630710 /nfs/dbraw/zinc/63/07/10/335630710.db2.gz YGKMNOGTCHEWKB-STQMWFEESA-N 0 3 272.417 4.425 20 30 CIEDHN C[C@H](NCCc1cc2ccccc2o1)c1cccc(C#N)c1 ZINC000181984794 335793507 /nfs/dbraw/zinc/79/35/07/335793507.db2.gz DSMJIHHUQDFCLS-AWEZNQCLSA-N 0 3 290.366 4.198 20 30 CIEDHN CC[C@H](CC#N)N[C@@H]1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000383530496 336112395 /nfs/dbraw/zinc/11/23/95/336112395.db2.gz AUOWQBLGNMVVIF-BZZMCLGOSA-N 0 3 270.420 4.241 20 30 CIEDHN C[C@@H]1c2c(F)cccc2CCN1CCCCC(C)(C)C#N ZINC000581705471 336131631 /nfs/dbraw/zinc/13/16/31/336131631.db2.gz HVNGLLFAVYFNSO-CQSZACIVSA-N 0 3 288.410 4.465 20 30 CIEDHN C=CCC[C@H](NCc1ccnn1C(C)C)c1ccccc1 ZINC000279777994 518721306 /nfs/dbraw/zinc/72/13/06/518721306.db2.gz AQKAGXAXKYVWHJ-SFHVURJKSA-N 0 3 283.419 4.261 20 30 CIEDHN CCCOc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000299430602 520428435 /nfs/dbraw/zinc/42/84/35/520428435.db2.gz UWGWIUORKDRPSP-HNNXBMFYSA-N 0 3 294.398 4.198 20 30 CIEDHN CCOc1ccc(CN[C@H](CC)c2ccc(C#N)cc2)cc1 ZINC000278238209 521009685 /nfs/dbraw/zinc/00/96/85/521009685.db2.gz KZSXKVZCODSEDB-LJQANCHMSA-N 0 3 294.398 4.198 20 30 CIEDHN CC[C@H](N[C@@H]1CCc2ccccc21)c1ccc(C#N)cc1 ZINC000278163485 522722237 /nfs/dbraw/zinc/72/22/37/522722237.db2.gz BVAMAWXFRLUSCK-RBUKOAKNSA-N 0 3 276.383 4.286 20 30 CIEDHN CC[C@@H](N[C@@H](CC)c1ccncc1)c1ccc(C#N)cc1 ZINC000278747702 522918998 /nfs/dbraw/zinc/91/89/98/522918998.db2.gz NROGKRHJRBAUAR-MSOLQXFVSA-N 0 3 279.387 4.145 20 30 CIEDHN Cc1cc2c(o1)CC(C)(C)C[C@H]2NCc1cccc(C#N)c1 ZINC000042797765 525628640 /nfs/dbraw/zinc/62/86/40/525628640.db2.gz VFWJQBKNPCUVQY-QGZVFWFLSA-N 0 3 294.398 4.263 20 30 CIEDHN N#Cc1ccc(CN[C@@H](c2ccccc2)C2CCC2)cc1 ZINC000104701826 526624191 /nfs/dbraw/zinc/62/41/91/526624191.db2.gz YBBMWQVJIYNLAT-IBGZPJMESA-N 0 3 276.383 4.189 20 30 CIEDHN CC(C)CC[C@@H](NC(=O)C(C)C#N)c1ccc(Cl)cc1 ZINC000347085535 527809146 /nfs/dbraw/zinc/80/91/46/527809146.db2.gz ZSHQSZBBOIUUBQ-IUODEOHRSA-N 0 3 292.810 4.093 20 30 CIEDHN C[C@@H](NCCC(C)(C)C1CC1)c1ccc(C#N)cc1F ZINC000573462999 334940070 /nfs/dbraw/zinc/94/00/70/334940070.db2.gz CDKDKWKHWKVMSQ-GFCCVEGCSA-N 0 3 274.383 4.174 20 30 CIEDHN C=CCCCNCc1cc(Cl)c(OC)cc1Cl ZINC000573532710 334944866 /nfs/dbraw/zinc/94/48/66/334944866.db2.gz APDHQBAUAKXOII-UHFFFAOYSA-N 0 3 274.191 4.058 20 30 CIEDHN C[C@@H](NC1CCC(C)(C#N)CC1)c1ccc(F)cc1F ZINC000336208654 533338224 /nfs/dbraw/zinc/33/82/24/533338224.db2.gz XLIVYDSUOILQDI-FFKNIBCLSA-N 0 3 278.346 4.088 20 30 CIEDHN N#Cc1ccc2c(c1)CCC[C@H]2N[C@H]1CCc2ccccc21 ZINC000341756579 130024410 /nfs/dbraw/zinc/02/44/10/130024410.db2.gz FRWUWNLCOPKQOB-UXHICEINSA-N 0 3 288.394 4.213 20 30 CIEDHN Cc1ccc(CN[C@@H]2CCCc3cc(C#N)ccc32)s1 ZINC000341758183 130026116 /nfs/dbraw/zinc/02/61/16/130026116.db2.gz OAUMUZYCGKKWMI-QGZVFWFLSA-N 0 3 282.412 4.095 20 30 CIEDHN C=CCOc1ccc(CN[C@@H]2CCc3ccccc32)cc1 ZINC000020130103 171018661 /nfs/dbraw/zinc/01/86/61/171018661.db2.gz SHAKCJIBKXKZQW-LJQANCHMSA-N 0 3 279.383 4.029 20 30 CIEDHN C[C@@H](NCc1ccc(Cl)cc1)c1ccc(C#N)cc1 ZINC000020209661 171073274 /nfs/dbraw/zinc/07/32/74/171073274.db2.gz SFIKGTVQJHJMFX-GFCCVEGCSA-N 0 3 270.763 4.062 20 30 CIEDHN Cc1cc(C)c(CN[C@H](C)c2ccc(C#N)cc2)c(C)c1 ZINC000035256344 172086446 /nfs/dbraw/zinc/08/64/46/172086446.db2.gz VZZKEUGLTCFZTH-MRXNPFEDSA-N 0 3 278.399 4.334 20 30 CIEDHN Cc1ccnc([C@H]2CCN(CCC3(C#N)CCCCC3)C2)c1 ZINC000575192980 335078639 /nfs/dbraw/zinc/07/86/39/335078639.db2.gz UAHGZDRGADCNEB-KRWDZBQOSA-N 0 3 297.446 4.044 20 30 CIEDHN COc1ccccc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000353915856 226817632 /nfs/dbraw/zinc/81/76/32/226817632.db2.gz NLTNMENVNUMMRM-SFHVURJKSA-N 0 3 294.398 4.220 20 30 CIEDHN C[C@H](c1cccc(C#N)c1)N1CCC=C(c2ccco2)C1 ZINC000352544174 227050081 /nfs/dbraw/zinc/05/00/81/227050081.db2.gz OOEGYWNBIVCFMH-CQSZACIVSA-N 0 3 278.355 4.002 20 30 CIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC=C(c2ccco2)C1 ZINC000352562322 227067580 /nfs/dbraw/zinc/06/75/80/227067580.db2.gz JMECNWRNGKEMHU-CQSZACIVSA-N 0 3 278.355 4.002 20 30 CIEDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1cccc(C#N)c1)[C@@H](C)C2 ZINC000180230069 260096121 /nfs/dbraw/zinc/09/61/21/260096121.db2.gz BOUWKWIYXYHVRZ-AUSJPIAWSA-N 0 3 290.410 4.451 20 30 CIEDHN Cc1ccc([C@@H](NCc2cccc(C#N)c2)C2CC2)cc1 ZINC000037490523 260112025 /nfs/dbraw/zinc/11/20/25/260112025.db2.gz AUAKNICSKNCEMT-LJQANCHMSA-N 0 3 276.383 4.108 20 30 CIEDHN C=CCC(C)(C)CN[C@@H](C)c1cccc(F)c1F ZINC000394128006 260112109 /nfs/dbraw/zinc/11/21/09/260112109.db2.gz BXVQHPFEPXMHCM-NSHDSACASA-N 0 3 253.336 4.218 20 30 CIEDHN N#Cc1cccc(CN[C@@H]2CCCCc3ccccc32)c1 ZINC000037748577 260116044 /nfs/dbraw/zinc/11/60/44/260116044.db2.gz KVEGLLSPMCVIMB-LJQANCHMSA-N 0 3 276.383 4.116 20 30 CIEDHN C[C@@H](NCc1cccc(C#N)c1)c1cnc2ccsc2c1 ZINC000068691330 260146167 /nfs/dbraw/zinc/14/61/67/260146167.db2.gz DWIXPNKZNAXTJK-GFCCVEGCSA-N 0 3 293.395 4.019 20 30 CIEDHN C=CC[C@@H](CC)NCc1ccc(F)cc1Br ZINC000309456129 260169990 /nfs/dbraw/zinc/16/99/90/260169990.db2.gz MLQJDGRAMILSQR-GFCCVEGCSA-N 0 3 286.188 4.033 20 30 CIEDHN C=C(CN[C@H](C)c1ccc(C)s1)c1ccccc1 ZINC000211851720 260381399 /nfs/dbraw/zinc/38/13/99/260381399.db2.gz SJOCHOYSNFFMAR-CQSZACIVSA-N 0 3 257.402 4.421 20 30 CIEDHN CC(C)Oc1cccc(CN[C@H](C)c2ccc(C#N)cc2)c1 ZINC000129318953 260385269 /nfs/dbraw/zinc/38/52/69/260385269.db2.gz SNVKJXSLGNCQIW-OAHLLOKOSA-N 0 3 294.398 4.196 20 30 CIEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(-c3ccco3)cc2F)C1 ZINC000448020808 260566287 /nfs/dbraw/zinc/56/62/87/260566287.db2.gz FAQJDRVYHDOARQ-CZUORRHYSA-N 0 3 298.361 4.258 20 30 CIEDHN C=CCC[C@H](O)CN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444807441 261182480 /nfs/dbraw/zinc/18/24/80/261182480.db2.gz WQXWOGTVTMJSHZ-IRXDYDNUSA-N 0 3 293.838 4.194 20 30 CIEDHN C[C@@H]1CCc2ccccc2[C@@H]1NCc1ccc(C#N)s1 ZINC000179394806 261783403 /nfs/dbraw/zinc/78/34/03/261783403.db2.gz IWYJWMWLGVTSQV-SJKOYZFVSA-N 0 3 282.412 4.033 20 30 CIEDHN CC(C)Oc1cccc([C@@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185780414 262070824 /nfs/dbraw/zinc/07/08/24/262070824.db2.gz WXIOKJFLQSYHQI-VYDXJSESSA-N 0 3 286.419 4.207 20 30 CIEDHN CC(C)(C#N)CCCCN1CCC[C@@H](c2nccs2)C1 ZINC000365440248 262365530 /nfs/dbraw/zinc/36/55/30/262365530.db2.gz AUQATOGIYVDDAR-CQSZACIVSA-N 0 3 291.464 4.043 20 30 CIEDHN CCc1cnccc1[C@H](C)NCCC1(C#N)CCCCC1 ZINC000411507697 262696642 /nfs/dbraw/zinc/69/66/42/262696642.db2.gz SJPMGUJWHWUFIN-HNNXBMFYSA-N 0 3 285.435 4.159 20 30 CIEDHN C[C@@H](CCC#N)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000411797225 262706873 /nfs/dbraw/zinc/70/68/73/262706873.db2.gz UCCLHMLJTSYBMF-BONVTDFDSA-N 0 3 280.774 4.212 20 30 CIEDHN CCC[C@H](NCC(C)(C)CC#N)c1ccsc1 ZINC000414158945 262818813 /nfs/dbraw/zinc/81/88/13/262818813.db2.gz AUESMXDGJMYCQH-ZDUSSCGKSA-N 0 3 250.411 4.119 20 30 CIEDHN C[C@@H](CCSc1ccccc1)N1CCC(C)(C#N)CC1 ZINC000272587339 263007375 /nfs/dbraw/zinc/00/73/75/263007375.db2.gz PAEAASBMUAWGMJ-HNNXBMFYSA-N 0 3 288.460 4.183 20 30 CIEDHN N#CCCCN[C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000273275852 263014533 /nfs/dbraw/zinc/01/45/33/263014533.db2.gz PLWZFJFLHKPPKV-AWEZNQCLSA-N 0 3 297.427 4.081 20 30 CIEDHN COc1ccc2oc([C@H](C)N[C@@H]3CC[C@H](C#N)C3)c(C)c2c1 ZINC000274603126 263027525 /nfs/dbraw/zinc/02/75/25/263027525.db2.gz IHLFRACDXXCYNJ-MELADBBJSA-N 0 3 298.386 4.093 20 30 CIEDHN N#C[C@@H]1CC[C@H](NC(c2ccccc2)c2ccccc2)C1 ZINC000274617282 263027908 /nfs/dbraw/zinc/02/79/08/263027908.db2.gz LNTYJGCDCONUFY-QAPCUYQASA-N 0 3 276.383 4.058 20 30 CIEDHN C[C@H](CCC#N)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000276339148 263036292 /nfs/dbraw/zinc/03/62/92/263036292.db2.gz SVJOZVFAXUNYDY-IAQYHMDHSA-N 0 3 296.336 4.438 20 30 CIEDHN CC[C@@H](NCc1ccc(OCC#N)cc1)c1cccc(C)c1 ZINC000286176494 263097456 /nfs/dbraw/zinc/09/74/56/263097456.db2.gz QQLCOKVBEUWNMJ-LJQANCHMSA-N 0 3 294.398 4.138 20 30 CIEDHN CC(C)(C#N)CCCN1CC(C)(C)[C@@H]1c1cccs1 ZINC000287105447 263101061 /nfs/dbraw/zinc/10/10/61/263101061.db2.gz YAEQHFUTYROATG-AWEZNQCLSA-N 0 3 276.449 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ZINC000436232224 330671320 /nfs/dbraw/zinc/67/13/20/330671320.db2.gz NJVOQQZOJNRMJO-UHFFFAOYSA-N 0 3 280.346 4.110 20 30 CIEDHN C=CCC[C@H](NCc1nc(C(C)(C)C)cs1)C1CC1 ZINC000438982928 330731747 /nfs/dbraw/zinc/73/17/47/330731747.db2.gz YNIHTLZNOVGQHK-ZDUSSCGKSA-N 0 3 278.465 4.275 20 30 CIEDHN CSc1ccccc1[C@H](C)NCc1ccc(CC#N)cc1 ZINC000440626565 330752862 /nfs/dbraw/zinc/75/28/62/330752862.db2.gz OFEVBNQZIRJSPD-AWEZNQCLSA-N 0 3 296.439 4.325 20 30 CIEDHN Cc1cccc(-c2ccc(CN[C@@H]3CC[C@H](C#N)C3)cc2)c1 ZINC000442838725 330786285 /nfs/dbraw/zinc/78/62/85/330786285.db2.gz QPIUYNAOFKWAJO-FXAWDEMLSA-N 0 3 290.410 4.444 20 30 CIEDHN Cc1cc(CN[C@@H]2CCSc3ccccc32)ccc1C#N ZINC000443981337 330808299 /nfs/dbraw/zinc/80/82/99/330808299.db2.gz RQAPTPFEQLQMGH-QGZVFWFLSA-N 0 3 294.423 4.193 20 30 CIEDHN Cc1cc2c(o1)CC(C)(C)C[C@@H]2N[C@H]1CCC[C@@H](C#N)C1 ZINC000447545592 330869436 /nfs/dbraw/zinc/86/94/36/330869436.db2.gz ROMQPTJLFJZFPO-YCPHGPKFSA-N 0 3 286.419 4.274 20 30 CIEDHN C=CCCCC[C@H](C)N[C@H](C)c1nc(C)cs1 ZINC000449115558 330899907 /nfs/dbraw/zinc/89/99/07/330899907.db2.gz HYJSTCNOYAUJEX-WCQYABFASA-N 0 3 252.427 4.237 20 30 CIEDHN C=CCCCC[C@@H](C)NCc1c(CC)noc1CC ZINC000449184532 330904533 /nfs/dbraw/zinc/90/45/33/330904533.db2.gz GKTJGBDJXPTWJO-CYBMUJFWSA-N 0 3 264.413 4.024 20 30 CIEDHN C=CCCCC[C@@H](C)N[C@H](C)c1c(F)cncc1F ZINC000449320773 330914445 /nfs/dbraw/zinc/91/44/45/330914445.db2.gz PJGITWJQMYNKPV-VXGBXAGGSA-N 0 3 268.351 4.145 20 30 CIEDHN N#Cc1ccccc1CN[C@H]1CCCC[C@H]1CC(F)(F)F ZINC000449437037 330925475 /nfs/dbraw/zinc/92/54/75/330925475.db2.gz YMLZKHXBQXQZQA-WFASDCNBSA-N 0 3 296.336 4.159 20 30 CIEDHN C=C(C)CCNCc1csc(-c2ccc(C)cc2)n1 ZINC000449478674 330929093 /nfs/dbraw/zinc/92/90/93/330929093.db2.gz SHHKISDXCDWIPV-UHFFFAOYSA-N 0 3 272.417 4.174 20 30 CIEDHN C[C@H](NCc1ccc(CC#N)cc1)c1cccc(C2CC2)c1 ZINC000451114641 331016002 /nfs/dbraw/zinc/01/60/02/331016002.db2.gz LTRUFWXRBXATFW-HNNXBMFYSA-N 0 3 290.410 4.481 20 30 CIEDHN C[C@H](NCCC(C)(C)C#N)c1cccc(C2CC2)c1 ZINC000451113830 331016017 /nfs/dbraw/zinc/01/60/17/331016017.db2.gz JRSXKMATZFQRJJ-ZDUSSCGKSA-N 0 3 256.393 4.154 20 30 CIEDHN C[C@H](NCc1ccc(C#N)c(F)c1)c1cccc(C2CC2)c1 ZINC000451116739 331016283 /nfs/dbraw/zinc/01/62/83/331016283.db2.gz ROXWJRBTDBAISK-ZDUSSCGKSA-N 0 3 294.373 4.426 20 30 CIEDHN CC(C)(C#N)CCCN1CC2(CCC2)[C@@H]1c1ccco1 ZINC000451855976 331044954 /nfs/dbraw/zinc/04/49/54/331044954.db2.gz PFZJJYJYLGVXTG-HNNXBMFYSA-N 0 3 272.392 4.137 20 30 CIEDHN C=CC(C)(C)CN[C@H](c1ccc(F)cc1)c1ccccn1 ZINC000453309124 331114333 /nfs/dbraw/zinc/11/43/33/331114333.db2.gz OYAMKCUDSLENSU-QGZVFWFLSA-N 0 3 284.378 4.112 20 30 CIEDHN C=C(C)CCN[C@H](c1cccnc1)c1ccc(F)c(C)c1 ZINC000453329783 331117563 /nfs/dbraw/zinc/11/75/63/331117563.db2.gz XZRYVVYMKAFSIM-SFHVURJKSA-N 0 3 284.378 4.174 20 30 CIEDHN C=C(CC)CN[C@@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453338028 331118635 /nfs/dbraw/zinc/11/86/35/331118635.db2.gz AXEIDTJJUQVJSL-CYBMUJFWSA-N 0 3 284.325 4.034 20 30 CIEDHN C=CCC1(CN[C@@H](C)c2ccc(F)cn2)CCCC1 ZINC000453340172 331119020 /nfs/dbraw/zinc/11/90/20/331119020.db2.gz BLFRSMYMKYVPKS-ZDUSSCGKSA-N 0 3 262.372 4.008 20 30 CIEDHN N#Cc1ccc(CN[C@H]2CCCc3cc(F)ccc32)cc1F ZINC000453364963 331122962 /nfs/dbraw/zinc/12/29/62/331122962.db2.gz CFSALFKQQOTPFQ-SFHVURJKSA-N 0 3 298.336 4.004 20 30 CIEDHN C=CCC1(CN[C@H](C)c2csc(C)n2)CCCC1 ZINC000453390497 331127271 /nfs/dbraw/zinc/12/72/71/331127271.db2.gz YADCDUKCIZIHBL-GFCCVEGCSA-N 0 3 264.438 4.239 20 30 CIEDHN C=CCSCCNCc1ccc(Cl)c(Cl)c1 ZINC000163897381 331138229 /nfs/dbraw/zinc/13/82/29/331138229.db2.gz WBOIYTCBXBKVQL-UHFFFAOYSA-N 0 3 276.232 4.002 20 30 CIEDHN C=CCC[C@H](NCc1cnc(C2CC2)nc1)c1ccccc1 ZINC000459452724 331282023 /nfs/dbraw/zinc/28/20/23/331282023.db2.gz RZIGQHPQQUNBGT-SFHVURJKSA-N 0 3 293.414 4.151 20 30 CIEDHN COc1ccc(-c2ccccc2C)cc1CNCCCC#N ZINC000459492151 331284775 /nfs/dbraw/zinc/28/47/75/331284775.db2.gz YBWVXPLDHFXONS-UHFFFAOYSA-N 0 3 294.398 4.064 20 30 CIEDHN Cc1cc(F)c(CNCC2CCC(C#N)CC2)c(Cl)c1 ZINC000459527785 331286118 /nfs/dbraw/zinc/28/61/18/331286118.db2.gz KQLAGJHPCIDZIQ-UHFFFAOYSA-N 0 3 294.801 4.207 20 30 CIEDHN C=CCC[C@@H](CC)N[C@@H](C)c1nc2c(s1)CCC2 ZINC000459645387 331291886 /nfs/dbraw/zinc/29/18/86/331291886.db2.gz GKIBUELTGWQYFT-NWDGAFQWSA-N 0 3 264.438 4.027 20 30 CIEDHN CC(C)(CC#N)CNCc1ccc(-c2ccccc2F)o1 ZINC000459688916 331294606 /nfs/dbraw/zinc/29/46/06/331294606.db2.gz ICPFAUFKKVHPKF-UHFFFAOYSA-N 0 3 286.350 4.115 20 30 CIEDHN C=C(C)COCCN[C@H](CC)c1cccc(Cl)c1F ZINC000461105005 331311462 /nfs/dbraw/zinc/31/14/62/331311462.db2.gz YTLFUQNNUQUUEZ-CQSZACIVSA-N 0 3 285.790 4.113 20 30 CIEDHN C=C(C)COCCN[C@@H](CC)c1cccc(Cl)c1F ZINC000461105004 331311551 /nfs/dbraw/zinc/31/15/51/331311551.db2.gz YTLFUQNNUQUUEZ-AWEZNQCLSA-N 0 3 285.790 4.113 20 30 CIEDHN CCC[C@@H](CCc1ccccc1)N[C@H](CC)CC#N ZINC000462065607 331317166 /nfs/dbraw/zinc/31/71/66/331317166.db2.gz NKXGVHPRPJJEBT-SJORKVTESA-N 0 3 258.409 4.070 20 30 CIEDHN CCC[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1F ZINC000463244270 331343977 /nfs/dbraw/zinc/34/39/77/331343977.db2.gz WOBPOCDSFBAXBX-IFIJOSMWSA-N 0 3 292.373 4.478 20 30 CIEDHN N#C[C@@H]1CCC[C@@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000463304690 331345955 /nfs/dbraw/zinc/34/59/55/331345955.db2.gz SCEKDQARNYATMO-ZWNOBZJWSA-N 0 3 283.202 4.165 20 30 CIEDHN Cc1ccc([C@H]2C[C@H](C)CCN2Cc2ccc(C#N)cc2)o1 ZINC000464841004 331370644 /nfs/dbraw/zinc/37/06/44/331370644.db2.gz VTJLFJBQICCUJD-RDTXWAMCSA-N 0 3 294.398 4.433 20 30 CIEDHN C=CC[C@@H](CC)NCc1csc(-c2ccsc2)n1 ZINC000466383996 331394298 /nfs/dbraw/zinc/39/42/98/331394298.db2.gz QFRAIFXYRBXVDF-GFCCVEGCSA-N 0 3 278.446 4.316 20 30 CIEDHN N#Cc1ccc(CNC2(Cc3ccccc3)CCCCC2)o1 ZINC000466453695 331397482 /nfs/dbraw/zinc/39/74/82/331397482.db2.gz UNZSOIVHHYRJBA-UHFFFAOYSA-N 0 3 294.398 4.186 20 30 CIEDHN CC[C@H](CC#N)N[C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000468474114 331435302 /nfs/dbraw/zinc/43/53/02/331435302.db2.gz CNIZBNOINUBCQN-XPKDYRNWSA-N 0 3 276.811 4.258 20 30 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335283475 /nfs/dbraw/zinc/28/34/75/335283475.db2.gz OUKBBKKNAANPJA-HNNXBMFYSA-N 0 3 293.414 4.106 20 30 CIEDHN C=CCC[C@@H](CCC)N[C@H](C)c1c(F)cncc1F ZINC000577306761 335337357 /nfs/dbraw/zinc/33/73/57/335337357.db2.gz VHVRKKLKLBKYET-VXGBXAGGSA-N 0 3 268.351 4.145 20 30 CIEDHN N#Cc1csc(CN[C@H]2CCc3c2cccc3Cl)c1 ZINC000177692116 335379135 /nfs/dbraw/zinc/37/91/35/335379135.db2.gz GZJOOXKIHSFACI-HNNXBMFYSA-N 0 3 288.803 4.050 20 30 CIEDHN Cc1ccccc1[C@H](NCc1cc(C#N)cs1)C(C)C ZINC000177699722 335379801 /nfs/dbraw/zinc/37/98/01/335379801.db2.gz PTAYCQGHIIBLNU-QGZVFWFLSA-N 0 3 284.428 4.415 20 30 CIEDHN CCc1nc2ccccc2c(N2CCC(C)(C#N)CC2)c1C ZINC000578155302 335534476 /nfs/dbraw/zinc/53/44/76/335534476.db2.gz KXYYGHPYHKQMPL-UHFFFAOYSA-N 0 3 293.414 4.236 20 30 CIEDHN C[C@@H](CCC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000386359460 336171478 /nfs/dbraw/zinc/17/14/78/336171478.db2.gz NXVKRQCSFHXWHC-LBPRGKRZSA-N 0 3 262.372 4.002 20 30 CIEDHN C=C(C)CCN[C@H](C)c1sccc1Br ZINC000386938614 336182663 /nfs/dbraw/zinc/18/26/63/336182663.db2.gz VGTWURQEYROMIQ-SECBINFHSA-N 0 3 274.227 4.127 20 30 CIEDHN Cc1ccc(-c2ccc(CNCCCC#N)s2)cc1 ZINC000344320129 534187064 /nfs/dbraw/zinc/18/70/64/534187064.db2.gz COOGJBCMTDPLGI-UHFFFAOYSA-N 0 3 270.401 4.117 20 30 CIEDHN Cc1nc(C(C)C)ccc1CN[C@@H](C)c1ccc(C#N)cc1 ZINC000293881272 518192406 /nfs/dbraw/zinc/19/24/06/518192406.db2.gz UCTAMVKLAZTYLR-AWEZNQCLSA-N 0 3 293.414 4.236 20 30 CIEDHN CC[C@H](NCc1sccc1C)c1ccc(C#N)cc1 ZINC000278332451 522674897 /nfs/dbraw/zinc/67/48/97/522674897.db2.gz WKIPMWXKVQAQHQ-HNNXBMFYSA-N 0 3 270.401 4.169 20 30 CIEDHN CCc1ccc(CN[C@H](C)c2ccc(C#N)cc2)s1 ZINC000037749604 523945634 /nfs/dbraw/zinc/94/56/34/523945634.db2.gz GOOJATHHTPNUAE-GFCCVEGCSA-N 0 3 270.401 4.033 20 30 CIEDHN C[C@H]1C[C@H](NC2(c3cccc(C#N)c3)CC2)c2ccccc21 ZINC000290275755 524921872 /nfs/dbraw/zinc/92/18/72/524921872.db2.gz LVCWFHLXSMHXSY-LIRRHRJNSA-N 0 3 288.394 4.385 20 30 CIEDHN Cc1ccccc1[C@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000037228515 525417660 /nfs/dbraw/zinc/41/76/60/525417660.db2.gz PWAIDDZCTMHIBN-CABCVRRESA-N 0 3 264.372 4.279 20 30 CIEDHN Cc1ccccc1[C@H](NCc1ccc(F)c(C#N)c1)C1CC1 ZINC000272009432 525429405 /nfs/dbraw/zinc/42/94/05/525429405.db2.gz JQRBMDNLMIMUJH-LJQANCHMSA-N 0 3 294.373 4.247 20 30 CIEDHN C[C@H](N[C@H]1CCCc2cc(C#N)ccc21)c1ccsc1 ZINC000338020331 525614279 /nfs/dbraw/zinc/61/42/79/525614279.db2.gz YHNYPERWSUVQOX-SJCJKPOMSA-N 0 3 282.412 4.348 20 30 CIEDHN C[C@H](N[C@H]1CCc2c1cccc2F)c1ccc(C#N)cc1 ZINC000097988272 525631001 /nfs/dbraw/zinc/63/10/01/525631001.db2.gz ALQPZPKHNCXTAY-SGTLLEGYSA-N 0 3 280.346 4.035 20 30 CIEDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)s1 ZINC000036991883 525940120 /nfs/dbraw/zinc/94/01/20/525940120.db2.gz WTKFQIBQSLRJRU-OLZOCXBDSA-N 0 3 270.401 4.340 20 30 CIEDHN C=CCC[C@@H](NC[C@@H](C)c1ncc(C)s1)c1ccco1 ZINC000353671892 527446958 /nfs/dbraw/zinc/44/69/58/527446958.db2.gz PADZVOAFGJBEJN-TZMCWYRMSA-N 0 3 290.432 4.445 20 30 CIEDHN C=CCC[C@@H](NCCc1sc(C)nc1C)c1ccco1 ZINC000356099211 527448026 /nfs/dbraw/zinc/44/80/26/527448026.db2.gz XCLRDGYZGINDSJ-CQSZACIVSA-N 0 3 290.432 4.193 20 30 CIEDHN CC(C)Cc1cccc([C@@H](C)NCC2(CC#N)CC2)c1 ZINC000353585741 528659521 /nfs/dbraw/zinc/65/95/21/528659521.db2.gz VLLOKBINWBPUBG-OAHLLOKOSA-N 0 3 270.420 4.230 20 30 CIEDHN C=CCCOCCN[C@H](C)c1ccc(C(C)C)cc1 ZINC000222447880 260220280 /nfs/dbraw/zinc/22/02/80/260220280.db2.gz ROYUHPJSJCLYFM-OAHLLOKOSA-N 0 3 261.409 4.053 20 30 CIEDHN C[C@@H](N[C@@H]1CCCc2cc(C#N)ccc21)c1ccccc1 ZINC000341749991 130019513 /nfs/dbraw/zinc/01/95/13/130019513.db2.gz DTGXIVSUGJMGFP-AUUYWEPGSA-N 0 3 276.383 4.286 20 30 CIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2N[C@@H]1CCc2ccccc21 ZINC000341756580 130024957 /nfs/dbraw/zinc/02/49/57/130024957.db2.gz FRWUWNLCOPKQOB-VQTJNVASSA-N 0 3 288.394 4.213 20 30 CIEDHN N#Cc1ccc2c(c1)CCC[C@@H]2NCc1cc(F)cc(F)c1 ZINC000341757825 130025873 /nfs/dbraw/zinc/02/58/73/130025873.db2.gz MAMSJMVCFSNLJH-SFHVURJKSA-N 0 3 298.336 4.004 20 30 CIEDHN N#CC1(CN[C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000575105836 335065894 /nfs/dbraw/zinc/06/58/94/335065894.db2.gz UFMIRWGKVIDITA-GDBMZVCRSA-N 0 3 288.822 4.260 20 30 CIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(F)cc2)cc1 ZINC000020095925 170995418 /nfs/dbraw/zinc/99/54/18/170995418.db2.gz WHDVILMLNQLIJV-AWEZNQCLSA-N 0 3 285.362 4.241 20 30 CIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccs1 ZINC000020148258 171036331 /nfs/dbraw/zinc/03/63/31/171036331.db2.gz LGCNLTREJSCQLD-NWDGAFQWSA-N 0 3 256.374 4.032 20 30 CIEDHN C=CCOc1ccc(CN[C@H]2CCCc3occc32)cc1 ZINC000020205027 171070110 /nfs/dbraw/zinc/07/01/10/171070110.db2.gz BOWVLTNJDSTPTR-KRWDZBQOSA-N 0 3 283.371 4.012 20 30 CIEDHN CSc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000035256350 172085905 /nfs/dbraw/zinc/08/59/05/172085905.db2.gz NLYNKKIMSHZLME-CYBMUJFWSA-N 0 3 282.412 4.131 20 30 CIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3sccc31)CC2 ZINC000353640351 228136653 /nfs/dbraw/zinc/13/66/53/228136653.db2.gz ULLBALBECFLWGY-IAGOWNOFSA-N 0 3 294.423 4.274 20 30 CIEDHN C=C(C)CN(CC)Cc1cccc(OCc2ccccn2)c1 ZINC000179528276 260053512 /nfs/dbraw/zinc/05/35/12/260053512.db2.gz ZKPZEFLASVSOFX-UHFFFAOYSA-N 0 3 296.414 4.059 20 30 CIEDHN COc1cc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)ccc1F ZINC000317219306 260133160 /nfs/dbraw/zinc/13/31/60/260133160.db2.gz HINWMLCSRUUOKA-STQMWFEESA-N 0 3 298.361 4.118 20 30 CIEDHN C=CCOc1ccc(CNCc2ccccc2CC)cc1 ZINC000084200342 260190886 /nfs/dbraw/zinc/19/08/86/260190886.db2.gz WNZCUVXKRDXAQC-UHFFFAOYSA-N 0 3 281.399 4.104 20 30 CIEDHN N#CCC1(CNC(c2ccccc2)c2ccccc2)CC1 ZINC000088249581 260229665 /nfs/dbraw/zinc/22/96/65/260229665.db2.gz DAMZCKVOQIJLPL-UHFFFAOYSA-N 0 3 276.383 4.059 20 30 CIEDHN N#CCCCCN1CCC[C@H]1c1nc2ccccc2s1 ZINC000071016262 260271494 /nfs/dbraw/zinc/27/14/94/260271494.db2.gz MKFJWQNILCZQOK-AWEZNQCLSA-N 0 3 285.416 4.127 20 30 CIEDHN Cc1nc(C)c([C@H](C)N[C@H](C)c2ccc(C#N)cc2)s1 ZINC000040517593 260289167 /nfs/dbraw/zinc/28/91/67/260289167.db2.gz UEVUNMGRYKMNDD-MNOVXSKESA-N 0 3 285.416 4.043 20 30 CIEDHN Cc1nc(C)c([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000040517590 260289652 /nfs/dbraw/zinc/28/96/52/260289652.db2.gz UEVUNMGRYKMNDD-WDEREUQCSA-N 0 3 285.416 4.043 20 30 CIEDHN C=C(CC)CN[C@@H](CC(F)(F)F)c1ccccc1 ZINC000313482134 260297972 /nfs/dbraw/zinc/29/79/72/260297972.db2.gz LVVQFTMDSZGUTP-ZDUSSCGKSA-N 0 3 257.299 4.236 20 30 CIEDHN C=C(C)COCCN[C@H]1CCSc2ccc(Cl)cc21 ZINC000090451301 260359831 /nfs/dbraw/zinc/35/98/31/260359831.db2.gz SMWAUCNINAYVDE-AWEZNQCLSA-N 0 3 297.851 4.059 20 30 CIEDHN C[C@@H](CCc1ccco1)N[C@H](CCC#N)c1ccccc1 ZINC000090664566 260464872 /nfs/dbraw/zinc/46/48/72/260464872.db2.gz UWADNPSCGUDFKY-MAUKXSAKSA-N 0 3 282.387 4.235 20 30 CIEDHN C=CCOc1cccc(CNC2(c3ccccc3)CCC2)c1 ZINC000518776040 261702580 /nfs/dbraw/zinc/70/25/80/261702580.db2.gz UUBPSMZLCFUVLL-UHFFFAOYSA-N 0 3 293.410 4.420 20 30 CIEDHN Cc1ccc(O)c([C@@H](C)N[C@H](CCC#N)c2ccccc2)c1 ZINC000186150615 262082019 /nfs/dbraw/zinc/08/20/19/262082019.db2.gz KAUQQMCTCDCRLL-CRAIPNDOSA-N 0 3 294.398 4.396 20 30 CIEDHN C[C@@H](NC[C@@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1 ZINC000319264206 262191350 /nfs/dbraw/zinc/19/13/50/262191350.db2.gz WLBRPISCKQAJIW-QAPCUYQASA-N 0 3 298.430 4.091 20 30 CIEDHN N#C[C@H]1CCC[C@H](N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000192750329 262210272 /nfs/dbraw/zinc/21/02/72/262210272.db2.gz YBXFQYCPZGEAJS-CORIIIEPSA-N 0 3 290.407 4.035 20 30 CIEDHN N#C[C@H]1CCC[C@H](NC[C@H](c2ccccc2)C(F)(F)F)C1 ZINC000193310492 262220540 /nfs/dbraw/zinc/22/05/40/262220540.db2.gz PNTGWJNGEOUXJS-AEGPPILISA-N 0 3 296.336 4.004 20 30 CIEDHN C[C@@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cc2ccccc2o1 ZINC000193333325 262220999 /nfs/dbraw/zinc/22/09/99/262220999.db2.gz FURKBIWPTRZGTA-UMVBOHGHSA-N 0 3 268.360 4.166 20 30 CIEDHN Cc1ccc([C@@H](NCc2cccc(C#N)c2)C2CCC2)cc1 ZINC000186987783 262332978 /nfs/dbraw/zinc/33/29/78/262332978.db2.gz ATUBKVMUPLSHFJ-FQEVSTJZSA-N 0 3 290.410 4.498 20 30 CIEDHN C[C@@H]1CC[C@@H](NCC(C)(C)CC#N)c2ccccc21 ZINC000414170942 262813437 /nfs/dbraw/zinc/81/34/37/262813437.db2.gz UCJXERIYJQOLMW-CZUORRHYSA-N 0 3 256.393 4.154 20 30 CIEDHN C[C@@H](NCC(C)(C)CC#N)c1cc2c(s1)CCCC2 ZINC000414172217 262813797 /nfs/dbraw/zinc/81/37/97/262813797.db2.gz VTKBMUBFKBLBCD-GFCCVEGCSA-N 0 3 276.449 4.217 20 30 CIEDHN Cc1occc1CN[C@H](CCCC#N)c1ccccc1 ZINC000414451846 262928059 /nfs/dbraw/zinc/92/80/59/262928059.db2.gz KWKZUHFGMRZHDQ-QGZVFWFLSA-N 0 3 268.360 4.113 20 30 CIEDHN C[C@H](NCCC(C)(C)C#N)c1ccc(-c2cccnc2)cc1 ZINC000272061410 263002083 /nfs/dbraw/zinc/00/20/83/263002083.db2.gz WORHBEYFOTZMOY-HNNXBMFYSA-N 0 3 293.414 4.339 20 30 CIEDHN CC1(C#N)CCN(CCSc2ccc(Cl)cc2)CC1 ZINC000272580684 263007119 /nfs/dbraw/zinc/00/71/19/263007119.db2.gz ODPJZYUAMZZQHT-UHFFFAOYSA-N 0 3 294.851 4.058 20 30 CIEDHN Cc1cc2cc([C@H](C)NCCCC#N)oc2cc1C ZINC000273265416 263014696 /nfs/dbraw/zinc/01/46/96/263014696.db2.gz NOXDFPIKNWUNEA-ZDUSSCGKSA-N 0 3 256.349 4.004 20 30 CIEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)cc1 ZINC000274542458 263025760 /nfs/dbraw/zinc/02/57/60/263025760.db2.gz ULRZYFUIDSGLHV-GLQYFDAESA-N 0 3 262.784 4.073 20 30 CIEDHN C[C@H](CN1CCC(C)(C#N)CC1)c1cccc(Cl)c1 ZINC000276329591 263036287 /nfs/dbraw/zinc/03/62/87/263036287.db2.gz XUHKJKZPEQUWJL-CYBMUJFWSA-N 0 3 276.811 4.069 20 30 CIEDHN CC(C)[C@@H]1C[C@H](N[C@@H](CCC#N)c2ccccc2)CS1 ZINC000277262174 263040387 /nfs/dbraw/zinc/04/03/87/263040387.db2.gz PBDBGWVXYPUFPI-ULQDDVLXSA-N 0 3 288.460 4.151 20 30 CIEDHN Cc1ccc([C@H]2CCCN2CCCCC(C)(C)C#N)o1 ZINC000277589509 263042102 /nfs/dbraw/zinc/04/21/02/263042102.db2.gz DEOIGFUJKUXSDH-OAHLLOKOSA-N 0 3 274.408 4.445 20 30 CIEDHN CC[C@](C)(NCCCCC(C)(C)C#N)c1nc(C)cs1 ZINC000277732911 263043076 /nfs/dbraw/zinc/04/30/76/263043076.db2.gz OGVHQXVDURHBPN-INIZCTEOSA-N 0 3 293.480 4.386 20 30 CIEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1OC(F)F ZINC000278279088 263046332 /nfs/dbraw/zinc/04/63/32/263046332.db2.gz PUXIEYOMOUMCTL-AVGNSLFASA-N 0 3 294.345 4.021 20 30 CIEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(-c2cccnc2)cc1 ZINC000282399530 263076422 /nfs/dbraw/zinc/07/64/22/263076422.db2.gz RPWKVKXSRRZEMP-YZVOILCLSA-N 0 3 291.398 4.091 20 30 CIEDHN CC(C)(C#N)CCCCN1CCC=C(c2ccco2)C1 ZINC000285292438 263091838 /nfs/dbraw/zinc/09/18/38/263091838.db2.gz KKLBKUWIQPJNBQ-UHFFFAOYSA-N 0 3 272.392 4.089 20 30 CIEDHN C[C@H](NCCc1cccc(C#N)c1)c1csc(Cl)c1 ZINC000467436908 263104584 /nfs/dbraw/zinc/10/45/84/263104584.db2.gz RLCMAGNGGDWEDQ-NSHDSACASA-N 0 3 290.819 4.166 20 30 CIEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1cccc(O)c1 ZINC000340450406 263155134 /nfs/dbraw/zinc/15/51/34/263155134.db2.gz YGIZFUCNYGBTHP-KXBFYZLASA-N 0 3 294.398 4.478 20 30 CIEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccc(O)c1 ZINC000340450405 263155137 /nfs/dbraw/zinc/15/51/37/263155137.db2.gz YGIZFUCNYGBTHP-HNAYVOBHSA-N 0 3 294.398 4.478 20 30 CIEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1ccncc1 ZINC000340451647 263155850 /nfs/dbraw/zinc/15/58/50/263155850.db2.gz OPZWSMDKUIFMQW-MAUKXSAKSA-N 0 3 279.387 4.167 20 30 CIEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccncc1 ZINC000340451636 263156060 /nfs/dbraw/zinc/15/60/60/263156060.db2.gz OPZWSMDKUIFMQW-CRAIPNDOSA-N 0 3 279.387 4.167 20 30 CIEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(Oc3ccccc3)o2)C1 ZINC000294964909 263170318 /nfs/dbraw/zinc/17/03/18/263170318.db2.gz FGLVRAFZPKEXPC-GJZGRUSLSA-N 0 3 296.370 4.244 20 30 CIEDHN C[C@@H](CCC#N)N[C@@H](C)c1cc2ccccc2s1 ZINC000298945806 263227673 /nfs/dbraw/zinc/22/76/73/263227673.db2.gz OKAUDGTVVZOWAR-RYUDHWBXSA-N 0 3 258.390 4.244 20 30 CIEDHN CC[C@H](N[C@@H](C)CCC#N)c1ccc(Cl)cc1 ZINC000299690039 263252304 /nfs/dbraw/zinc/25/23/04/263252304.db2.gz NUFOYGWNCJXOOK-FZMZJTMJSA-N 0 3 250.773 4.073 20 30 CIEDHN C[C@@H](NCCCC#N)c1ccccc1Oc1ccccc1 ZINC000341642781 263345774 /nfs/dbraw/zinc/34/57/74/263345774.db2.gz PJGYPYMCXSHBLS-OAHLLOKOSA-N 0 3 280.371 4.433 20 30 CIEDHN Cc1sccc1CN(C)[C@@H](C)c1cccc(C#N)c1 ZINC000425368893 264213220 /nfs/dbraw/zinc/21/32/20/264213220.db2.gz YEEJLUNYABADET-LBPRGKRZSA-N 0 3 270.401 4.121 20 30 CIEDHN CCN(Cc1ccc(OC)cc1)[C@@H](C)c1cccc(C#N)c1 ZINC000189792363 264326330 /nfs/dbraw/zinc/32/63/30/264326330.db2.gz KMRLHINHIABTPB-HNNXBMFYSA-N 0 3 294.398 4.150 20 30 CIEDHN CCC[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000093492147 265181797 /nfs/dbraw/zinc/18/17/97/265181797.db2.gz VGOLXXIISCDWDF-MRXNPFEDSA-N 0 3 270.401 4.251 20 30 CIEDHN CC[C@H](NCc1cc(C#N)cs1)c1ccc(C)cc1 ZINC000093492101 265182320 /nfs/dbraw/zinc/18/23/20/265182320.db2.gz XTFGIGXYHBIGGH-INIZCTEOSA-N 0 3 270.401 4.169 20 30 CIEDHN C[C@@H](NCC1(C#N)CCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000418143550 267365127 /nfs/dbraw/zinc/36/51/27/267365127.db2.gz QGAGSTNJBIWAKD-CHWSQXEVSA-N 0 3 276.811 4.115 20 30 CIEDHN C[C@@H](NCC1(C#N)CCC1)[C@H](C)c1ccc(Cl)cc1 ZINC000418143552 267365768 /nfs/dbraw/zinc/36/57/68/267365768.db2.gz QGAGSTNJBIWAKD-QWHCGFSZSA-N 0 3 276.811 4.115 20 30 CIEDHN CCN(CCCC#N)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000123296573 268022191 /nfs/dbraw/zinc/02/21/91/268022191.db2.gz HORSGXUUMQSENP-LBPRGKRZSA-N 0 3 284.325 4.392 20 30 CIEDHN C=CCCN[C@@H](CC(F)(F)F)c1ccccc1C ZINC000338543776 327983773 /nfs/dbraw/zinc/98/37/73/327983773.db2.gz SAJYMCBMCCAILQ-ZDUSSCGKSA-N 0 3 257.299 4.154 20 30 CIEDHN C=C(CNCc1cccc(Cl)c1)c1ccccc1 ZINC000110057676 328031260 /nfs/dbraw/zinc/03/12/60/328031260.db2.gz SCMVJEKYQJNJNZ-UHFFFAOYSA-N 0 3 257.764 4.143 20 30 CIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H](c1cccs1)C1CC1)CC2 ZINC000571092123 328084893 /nfs/dbraw/zinc/08/48/93/328084893.db2.gz ITNARYXSZQOKRM-WMZOPIPTSA-N 0 3 294.423 4.348 20 30 CIEDHN N#Cc1csc(CNCc2cc3ccccc3s2)c1 ZINC000571183609 328091166 /nfs/dbraw/zinc/09/11/66/328091166.db2.gz UBCSWKQGAJUZJN-UHFFFAOYSA-N 0 3 284.409 4.124 20 30 CIEDHN C[C@H](CCC#N)N1CC[C@@H](Sc2cccc(Cl)c2)C1 ZINC000411757365 328098659 /nfs/dbraw/zinc/09/86/59/328098659.db2.gz LXDOMWHBEVBCDP-IUODEOHRSA-N 0 3 294.851 4.199 20 30 CIEDHN C=CCOc1ccc(CN(C)[C@@H](CC)c2ccncc2)cc1 ZINC000571366326 328116804 /nfs/dbraw/zinc/11/68/04/328116804.db2.gz XSSKYROFMYZWSV-IBGZPJMESA-N 0 3 296.414 4.230 20 30 CIEDHN C[C@@H](CCC#N)NC(c1ccccc1)c1ccccc1 ZINC000276350283 328217966 /nfs/dbraw/zinc/21/79/66/328217966.db2.gz WCOFIGWKQCFQEB-HNNXBMFYSA-N 0 3 264.372 4.058 20 30 CIEDHN N#CC[C@@H]1CC[C@H](NCc2ccc(Cl)cc2Cl)C1 ZINC000295053422 328284481 /nfs/dbraw/zinc/28/44/81/328284481.db2.gz NOTUDUIROJLXBH-GWCFXTLKSA-N 0 3 283.202 4.165 20 30 CIEDHN C[C@@H]1CCN(Cc2ccc(C#N)s2)[C@H]2CCCC[C@H]12 ZINC000535072814 328384429 /nfs/dbraw/zinc/38/44/29/328384429.db2.gz WIJQSGMEVSMVOS-WQVCFCJDSA-N 0 3 274.433 4.020 20 30 CIEDHN C=CCOc1ccccc1CN[C@H](CC)c1ccccc1 ZINC000050198469 328391602 /nfs/dbraw/zinc/39/16/02/328391602.db2.gz FXXMBWHPPHVGEM-GOSISDBHSA-N 0 3 281.399 4.492 20 30 CIEDHN COc1ccc([C@@H](CCC#N)NCCCC(C)(C)C)cc1 ZINC000582158977 328579944 /nfs/dbraw/zinc/57/99/44/328579944.db2.gz VELHNUDGCGKIPI-QGZVFWFLSA-N 0 3 288.435 4.456 20 30 CIEDHN C=CCC[C@@H](NCCc1ccccc1)c1ccco1 ZINC000530506038 326820746 /nfs/dbraw/zinc/82/07/46/326820746.db2.gz ZFEYKPIOWTVUQK-MRXNPFEDSA-N 0 3 255.361 4.119 20 30 CIEDHN CCCCN(Cc1nc(C#N)cs1)[C@H]1CCC[C@H](C)C1 ZINC000557395631 327004455 /nfs/dbraw/zinc/00/44/55/327004455.db2.gz PBDJHNRSDYUYFK-ZFWWWQNUSA-N 0 3 291.464 4.196 20 30 CIEDHN Cc1ccc2c(c1)[C@@H](NCc1ccc(CC#N)cc1)CCC2 ZINC000565832883 327031037 /nfs/dbraw/zinc/03/10/37/327031037.db2.gz DODVCZKODISRQN-FQEVSTJZSA-N 0 3 290.410 4.228 20 30 CIEDHN C[C@H](NCCC1(F)CCC1)c1ccc(C#N)cc1Cl ZINC000558259206 327082953 /nfs/dbraw/zinc/08/29/53/327082953.db2.gz QAQYHWIQCGINMU-NSHDSACASA-N 0 3 280.774 4.145 20 30 CIEDHN N#CCc1ccc(CN[C@H]2CCCc3cc(F)ccc32)cc1 ZINC000569339339 327097149 /nfs/dbraw/zinc/09/71/49/327097149.db2.gz DBUOBUMYWOOJNQ-IBGZPJMESA-N 0 3 294.373 4.059 20 30 CIEDHN CC(C)c1ccc(CN[C@@H]2CCc3ccc(C#N)cc32)cc1 ZINC000558503891 327099394 /nfs/dbraw/zinc/09/93/94/327099394.db2.gz GQYPQEFPSSXTHY-HXUWFJFHSA-N 0 3 290.410 4.459 20 30 CIEDHN CC[C@@H]1[C@@H](C)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000558575875 327106603 /nfs/dbraw/zinc/10/66/03/327106603.db2.gz ZSDRHIXTIWCNCD-XHDPSFHLSA-N 0 3 296.336 4.197 20 30 CIEDHN CC(C)(C)c1ccc(CNCc2ccc(CC#N)cc2)s1 ZINC000518374031 327156125 /nfs/dbraw/zinc/15/61/25/327156125.db2.gz ODPVFLRVCSZETB-UHFFFAOYSA-N 0 3 298.455 4.401 20 30 CIEDHN C[C@H](c1cccc(C#N)c1)N1CC[C@@H](c2ccccc2F)C1 ZINC000559299584 327156323 /nfs/dbraw/zinc/15/63/23/327156323.db2.gz FJVGZRNLBPUOGX-RHSMWYFYSA-N 0 3 294.373 4.248 20 30 CIEDHN C[C@H]1c2c(F)cccc2CCN1CCCC(C)(C)C#N ZINC000531101215 327246715 /nfs/dbraw/zinc/24/67/15/327246715.db2.gz XDSXIKQDRPCFTI-ZDUSSCGKSA-N 0 3 274.383 4.075 20 30 CIEDHN C=CCC[C@H](NCC1(OCC)CCCC1)c1ccco1 ZINC000559893070 327268766 /nfs/dbraw/zinc/26/87/66/327268766.db2.gz MXNUORMRENYOMW-HNNXBMFYSA-N 0 3 277.408 4.226 20 30 CIEDHN C=CCCCN(C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000152579070 327277950 /nfs/dbraw/zinc/27/79/50/327277950.db2.gz NLUIRVWVMCPGCS-CQSZACIVSA-N 0 3 270.376 4.301 20 30 CIEDHN C[C@H](c1ccc(C#N)cc1)N1CCC=C(c2ccccc2)C1 ZINC000560170889 327288431 /nfs/dbraw/zinc/28/84/31/327288431.db2.gz BSIRGKMJCLLZCC-MRXNPFEDSA-N 0 3 288.394 4.409 20 30 CIEDHN CC(C)(NCc1ccc(CC#N)cc1)c1ccc(Cl)cc1 ZINC000560181803 327288782 /nfs/dbraw/zinc/28/87/82/327288782.db2.gz JYVIBRVBINDLNH-UHFFFAOYSA-N 0 3 298.817 4.431 20 30 CIEDHN CC[C@H](NC1(c2cccc(C#N)c2)CC1)c1cccs1 ZINC000560259147 327294277 /nfs/dbraw/zinc/29/42/77/327294277.db2.gz PCSARLGFZSEUHY-HNNXBMFYSA-N 0 3 282.412 4.350 20 30 CIEDHN C=CCC[C@@H](NC[C@H](C)Oc1ccccc1)c1ccco1 ZINC000560546694 327322855 /nfs/dbraw/zinc/32/28/55/327322855.db2.gz WAYKJEJLTWWAJX-DOTOQJQBSA-N 0 3 285.387 4.344 20 30 CIEDHN CCCc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1 ZINC000561437575 327395016 /nfs/dbraw/zinc/39/50/16/327395016.db2.gz LVLKPOAEYDWWDF-CYBMUJFWSA-N 0 3 284.428 4.423 20 30 CIEDHN C=C(C)CN[C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000570430120 327590665 /nfs/dbraw/zinc/59/06/65/327590665.db2.gz HMQPHPISYCSSPV-CQSZACIVSA-N 0 3 268.360 4.101 20 30 CIEDHN C=CCSCCN[C@H]1C[C@H](C)Sc2sccc21 ZINC000221947022 329215873 /nfs/dbraw/zinc/21/58/73/329215873.db2.gz RWPOEFSSIABIBQ-JQWIXIFHSA-N 0 3 285.503 4.182 20 30 CIEDHN C=CCSCCN[C@H](C)c1sc(C(C)C)nc1C ZINC000180456740 329217286 /nfs/dbraw/zinc/21/72/86/329217286.db2.gz NUHZTLTVSJSAHD-LLVKDONJSA-N 0 3 284.494 4.145 20 30 CIEDHN C[C@H](CN1CCC(CCC#N)CC1)c1cc(F)cc(F)c1 ZINC000582905930 329284685 /nfs/dbraw/zinc/28/46/85/329284685.db2.gz DAARLJJZDBMDLR-CYBMUJFWSA-N 0 3 292.373 4.084 20 30 CIEDHN CC[C@@H](N[C@H](C)c1cnn(C(C)C)c1)c1ccc(C#N)cc1 ZINC000582944214 329292104 /nfs/dbraw/zinc/29/21/04/329292104.db2.gz QNJMRNDCGSTBLE-RDTXWAMCSA-N 0 3 296.418 4.138 20 30 CIEDHN N#CCCC1CCN([C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000583022007 329298782 /nfs/dbraw/zinc/29/87/82/329298782.db2.gz RKBXBIPLKYUUMP-KRWDZBQOSA-N 0 3 288.822 4.343 20 30 CIEDHN CCOc1ccccc1[C@@H](CC)N[C@@H]1CCC[C@H](C#N)C1 ZINC000185805983 329329622 /nfs/dbraw/zinc/32/96/22/329329622.db2.gz BECDEPJTRVJXJY-ZMSDIMECSA-N 0 3 286.419 4.208 20 30 CIEDHN CC[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000185838820 329330039 /nfs/dbraw/zinc/33/00/39/329330039.db2.gz UMDVDOGZBFFZRD-DETPVDSQSA-N 0 3 278.346 4.088 20 30 CIEDHN CCN(Cc1ccc(C)nc1C)[C@H](C)c1ccc(C#N)cc1 ZINC000186741989 329348073 /nfs/dbraw/zinc/34/80/73/329348073.db2.gz GDGGGHMRVBQKTB-MRXNPFEDSA-N 0 3 293.414 4.153 20 30 CIEDHN C=C(C)CCN[C@H](C)c1nc(C(C)(C)C)cs1 ZINC000509021872 332856229 /nfs/dbraw/zinc/85/62/29/332856229.db2.gz NBASZZQZMVQUFG-LLVKDONJSA-N 0 3 252.427 4.057 20 30 CIEDHN C=CCCC[C@H](C)N[C@@H](C)c1c(F)cccc1OC ZINC000398184490 329438724 /nfs/dbraw/zinc/43/87/24/329438724.db2.gz PKSDRMVCVGLQRE-STQMWFEESA-N 0 3 265.372 4.230 20 30 CIEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000520761562 329541490 /nfs/dbraw/zinc/54/14/90/329541490.db2.gz SRVSEIZBSKXMKI-IVMMDQJWSA-N 0 3 276.811 4.115 20 30 CIEDHN Cc1cc([C@H](C)N[C@@H]2CCC[C@@H](C#N)C2)c(C)s1 ZINC000248716433 329897687 /nfs/dbraw/zinc/89/76/87/329897687.db2.gz BXGNBTKOSQNECK-IACUBPJLSA-N 0 3 262.422 4.098 20 30 CIEDHN CC[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cc(F)ccc1F ZINC000248816637 329899707 /nfs/dbraw/zinc/89/97/07/329899707.db2.gz KZSAGCDSWOPMBR-KFNAQCHYSA-N 0 3 278.346 4.088 20 30 CIEDHN C=CCC[C@H](CCC)NCc1csc([C@@H](C)OC)n1 ZINC000269089110 330067420 /nfs/dbraw/zinc/06/74/20/330067420.db2.gz QAKZZFUTVNOYKM-OLZOCXBDSA-N 0 3 282.453 4.075 20 30 CIEDHN CC(C)C[C@H](NCc1cccc(C#N)c1)c1cccs1 ZINC000079932601 330071916 /nfs/dbraw/zinc/07/19/16/330071916.db2.gz YSXOMCCIDJMUND-INIZCTEOSA-N 0 3 284.428 4.497 20 30 CIEDHN C#CC[C@H](N[C@H](C)c1sc(C)nc1C)c1ccccc1 ZINC000271496127 330079697 /nfs/dbraw/zinc/07/96/97/330079697.db2.gz LMHABJWNPIOMSP-CJNGLKHVSA-N 0 3 284.428 4.175 20 30 CIEDHN C#CC[C@@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000271573561 330081331 /nfs/dbraw/zinc/08/13/31/330081331.db2.gz VZKAZWBRPIXFRN-DNVCBOLYSA-N 0 3 291.394 4.037 20 30 CIEDHN C#CC[C@H](N[C@H](C)c1ccc2c(c1)CCO2)c1ccccc1 ZINC000271573559 330081627 /nfs/dbraw/zinc/08/16/27/330081627.db2.gz VZKAZWBRPIXFRN-BEFAXECRSA-N 0 3 291.394 4.037 20 30 CIEDHN C=CCC[C@H](NC[C@@H](CCO)c1ccccc1)c1ccco1 ZINC000276479312 330113885 /nfs/dbraw/zinc/11/38/85/330113885.db2.gz RIKXHRSBUNQKLA-MSOLQXFVSA-N 0 3 299.414 4.043 20 30 CIEDHN C=CCC[C@@H](NCc1cccc2c1CCCN2)c1ccco1 ZINC000423414662 330197577 /nfs/dbraw/zinc/19/75/77/330197577.db2.gz NHWJVKCHPQUDOA-GOSISDBHSA-N 0 3 296.414 4.435 20 30 CIEDHN N#C[C@H]1CC[C@@H](N[C@@H]2CCc3c2cc(Cl)cc3Cl)C1 ZINC000424124122 330256557 /nfs/dbraw/zinc/25/65/57/330256557.db2.gz LXEXNQBYFPTPMK-ZVWUFJHRSA-N 0 3 295.213 4.263 20 30 CIEDHN CC[C@H](NCc1cc(C#N)cs1)c1cc(C)ccc1C ZINC000527819504 330286212 /nfs/dbraw/zinc/28/62/12/330286212.db2.gz JDHOIOMAYKDIHC-KRWDZBQOSA-N 0 3 284.428 4.478 20 30 CIEDHN Cc1cccc([C@H](NCc2cccc(C#N)c2F)C(C)C)c1 ZINC000527891331 330292311 /nfs/dbraw/zinc/29/23/11/330292311.db2.gz ARXAKDQWQOVJQB-LJQANCHMSA-N 0 3 296.389 4.493 20 30 CIEDHN C=CCCCN1CCCC[C@H]1c1nc2ccccc2n1C ZINC000533065326 330325667 /nfs/dbraw/zinc/32/56/67/330325667.db2.gz IYEAPKVPFIQHOP-KRWDZBQOSA-N 0 3 283.419 4.067 20 30 CIEDHN CC(C)c1cccc2c1OCCC[C@H]2N[C@@H]1CC[C@H](C#N)C1 ZINC000424320028 330340100 /nfs/dbraw/zinc/34/01/00/330340100.db2.gz FLEPZKUACVNQBT-HDMKZQKVSA-N 0 3 298.430 4.306 20 30 CIEDHN Cc1ccc2cc([C@H](C)N[C@@H]3CC[C@H](C#N)C3)oc2c1 ZINC000424322659 330340410 /nfs/dbraw/zinc/34/04/10/330340410.db2.gz IJUWNMDREDUPMY-KCQAQPDRSA-N 0 3 268.360 4.084 20 30 CIEDHN Cc1c2ccccc2oc1[C@@H](C)N[C@@H]1CC[C@H](C#N)C1 ZINC000424323379 330340658 /nfs/dbraw/zinc/34/06/58/330340658.db2.gz JADUSGRRLBRLDU-HZSPNIEDSA-N 0 3 268.360 4.084 20 30 CIEDHN Cc1ccc([C@@H](N[C@@H]2CC[C@H](C#N)C2)C2CCCC2)o1 ZINC000424325998 330341379 /nfs/dbraw/zinc/34/13/79/330341379.db2.gz LPSVSJIHQJCPSF-LXZKKBNFSA-N 0 3 272.392 4.101 20 30 CIEDHN CC[C@@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000424329549 330341936 /nfs/dbraw/zinc/34/19/36/330341936.db2.gz PMBSZWSCXSJNIW-NILFDRSVSA-N 0 3 262.784 4.073 20 30 CIEDHN C[C@H](N[C@@H]1CC[C@H](C#N)C1)c1cccc(-c2ccncc2)c1 ZINC000424337583 330343576 /nfs/dbraw/zinc/34/35/76/330343576.db2.gz ZOYJEMPPSIQPEO-YZVOILCLSA-N 0 3 291.398 4.091 20 30 CIEDHN C=CCCCN(C)[C@H](C)C(=O)Nc1cccc2ccccc21 ZINC000533301457 330356766 /nfs/dbraw/zinc/35/67/66/330356766.db2.gz SSDOLMQZOQPVHO-OAHLLOKOSA-N 0 3 296.414 4.065 20 30 CIEDHN Cc1cc(C)cc(C2=CCN(CCC(C)(C)C#N)CC2)c1 ZINC000538514571 330366697 /nfs/dbraw/zinc/36/66/97/330366697.db2.gz KOYRCVOPWWSBHD-UHFFFAOYSA-N 0 3 282.431 4.332 20 30 CIEDHN C=CCC[C@H](NC[C@@]1(C)CCCS1)c1ccco1 ZINC000428442289 330523678 /nfs/dbraw/zinc/52/36/78/330523678.db2.gz ZZGJMLTYJFGLTL-DZGCQCFKSA-N 0 3 265.422 4.162 20 30 CIEDHN CC[C@@H](NCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000429797533 330555040 /nfs/dbraw/zinc/55/50/40/330555040.db2.gz BSHKYDBBIFCBIN-CQSZACIVSA-N 0 3 262.784 4.075 20 30 CIEDHN CCSc1ccccc1[C@@H](C)NCC1(CC#N)CC1 ZINC000430756062 330573380 /nfs/dbraw/zinc/57/33/80/330573380.db2.gz RXYRZFMRNNWDAB-CYBMUJFWSA-N 0 3 274.433 4.143 20 30 CIEDHN CC[C@@H](NCc1ccc(C#N)cc1Cl)C(C)(C)C ZINC000439451181 330738354 /nfs/dbraw/zinc/73/83/54/330738354.db2.gz LARTYRDDHIUIEN-CQSZACIVSA-N 0 3 264.800 4.126 20 30 CIEDHN COc1ccccc1[C@H](CC(C)C)N[C@H]1CC[C@@H](C#N)C1 ZINC000442763507 330781511 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N#C[C@H]1CC[C@@H](N2CCC(c3cccc(Cl)c3)CC2)C1 ZINC000294203299 263157496 /nfs/dbraw/zinc/15/74/96/263157496.db2.gz RNGHZDKPHCGUPO-SUMWQHHRSA-N 0 3 288.822 4.212 20 30 CIEDHN CC(C)(CCC#N)CNCc1cc(C2CC2)ccc1F ZINC000295145667 263173513 /nfs/dbraw/zinc/17/35/13/263173513.db2.gz QMEYNSDQZXCCLP-UHFFFAOYSA-N 0 3 274.383 4.123 20 30 CIEDHN N#CCCCCN[C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000340584536 263211331 /nfs/dbraw/zinc/21/13/31/263211331.db2.gz QKSIIPJFVMYXEC-CYBMUJFWSA-N 0 3 283.202 4.264 20 30 CIEDHN C[C@H](c1ccc(C(F)(F)F)cc1)N(C)CCCC#N ZINC000299361015 263240165 /nfs/dbraw/zinc/24/01/65/263240165.db2.gz IRUAJCHXJDFXBR-LLVKDONJSA-N 0 3 270.298 4.002 20 30 CIEDHN CC[C@@H](N[C@H](C)CCC#N)c1cccc(Cl)c1 ZINC000299701511 263253008 /nfs/dbraw/zinc/25/30/08/263253008.db2.gz PAQDFXMRKOFOJC-BXUZGUMPSA-N 0 3 250.773 4.073 20 30 CIEDHN C[C@@H](CCC#N)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000299733976 263254388 /nfs/dbraw/zinc/25/43/88/263254388.db2.gz ZEJXPOCOPQTJOX-QWRGUYRKSA-N 0 3 270.298 4.048 20 30 CIEDHN C[C@@H](CCC#N)N[C@@H](C)c1ccc2ccccc2c1 ZINC000299733677 263254510 /nfs/dbraw/zinc/25/45/10/263254510.db2.gz YWRYHQNZGWHFPU-KBPBESRZSA-N 0 3 252.361 4.183 20 30 CIEDHN C=CCSCCN[C@@H]1CCCOc2cc(Cl)ccc21 ZINC000341828393 263352973 /nfs/dbraw/zinc/35/29/73/263352973.db2.gz SWFHFPBPSGZXDZ-CQSZACIVSA-N 0 3 297.851 4.063 20 30 CIEDHN C=CCC[C@@H](NCCF)c1ccc(C(F)(F)F)cc1 ZINC000342196870 263398346 /nfs/dbraw/zinc/39/83/46/263398346.db2.gz DWPYJEULTYEGAK-CYBMUJFWSA-N 0 3 275.289 4.272 20 30 CIEDHN CCC(CC)[C@@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000189586170 264310750 /nfs/dbraw/zinc/31/07/50/264310750.db2.gz HMADTOKBBYNTEO-LJQANCHMSA-N 0 3 295.430 4.164 20 30 CIEDHN CCC(CC)[C@H](NCc1cc(C#N)n(C)c1)c1ccccc1 ZINC000189586145 264311262 /nfs/dbraw/zinc/31/12/62/264311262.db2.gz HMADTOKBBYNTEO-IBGZPJMESA-N 0 3 295.430 4.164 20 30 CIEDHN C[C@@H](NCc1cc(C#N)cs1)c1cccc(Cl)c1 ZINC000093492057 265182499 /nfs/dbraw/zinc/18/24/99/265182499.db2.gz WOWGJKTXAYBZIK-SNVBAGLBSA-N 0 3 276.792 4.124 20 30 CIEDHN C=CCSCCN[C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000358022164 266399894 /nfs/dbraw/zinc/39/98/94/266399894.db2.gz IDNQRNMWNMDQEP-MRXNPFEDSA-N 0 3 291.460 4.026 20 30 CIEDHN Cc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)s1 ZINC000360836668 266746890 /nfs/dbraw/zinc/74/68/90/266746890.db2.gz NBZKFORRGBYCLA-GOSISDBHSA-N 0 3 296.439 4.486 20 30 CIEDHN C=CCCCN(C)[C@H](c1ccccc1)c1ccccn1 ZINC000117881536 267223807 /nfs/dbraw/zinc/22/38/07/267223807.db2.gz HBYZXNLIANBNOE-GOSISDBHSA-N 0 3 266.388 4.069 20 30 CIEDHN Cc1ccncc1C1=CCN(CCCCC(C)(C)C#N)CC1 ZINC000369335908 267236829 /nfs/dbraw/zinc/23/68/29/267236829.db2.gz TUPYGDZSYILDHM-UHFFFAOYSA-N 0 3 297.446 4.199 20 30 CIEDHN C=C[C@H](C)N[C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000119337082 267322465 /nfs/dbraw/zinc/32/24/65/267322465.db2.gz UYSPNIOWYKRTGE-UWVGGRQHSA-N 0 3 278.446 4.405 20 30 CIEDHN C=C[C@@H](C)N[C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000119337302 267322528 /nfs/dbraw/zinc/32/25/28/267322528.db2.gz UYSPNIOWYKRTGE-ZJUUUORDSA-N 0 3 278.446 4.405 20 30 CIEDHN C[C@@H](NCC1(C#N)CCC1)C1CCC(C(F)(F)F)CC1 ZINC000418138475 267361035 /nfs/dbraw/zinc/36/10/35/267361035.db2.gz GDNBHGMVYXEISW-PNESKVBLSA-N 0 3 288.357 4.027 20 30 CIEDHN N#CC1(CN[C@@H]2CCC[C@H]2c2ccccc2Cl)CCC1 ZINC000418142249 267363206 /nfs/dbraw/zinc/36/32/06/267363206.db2.gz MKQAVOPLFXWXKX-GOEBONIOSA-N 0 3 288.822 4.260 20 30 CIEDHN C[C@H](CCc1ccc(Cl)s1)NCC1(C#N)CCC1 ZINC000418138094 267371569 /nfs/dbraw/zinc/37/15/69/267371569.db2.gz FZBFLKUXFTYZDR-LLVKDONJSA-N 0 3 282.840 4.006 20 30 CIEDHN C=CCC[C@@H](C)N[C@H](C)c1nc2ccccc2n1CC ZINC000186058087 327680801 /nfs/dbraw/zinc/68/08/01/327680801.db2.gz BTOKCRYXDDPOHS-ZIAGYGMSSA-N 0 3 271.408 4.062 20 30 CIEDHN C[C@@H](NCCCCC#N)c1cc(Cl)ccc1Cl ZINC000178649340 327795258 /nfs/dbraw/zinc/79/52/58/327795258.db2.gz OMNVFSDDAZYAHV-SNVBAGLBSA-N 0 3 271.191 4.338 20 30 CIEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000185755863 327844340 /nfs/dbraw/zinc/84/43/40/327844340.db2.gz YSQCBNOIYCPJJZ-TYNCELHUSA-N 0 3 262.784 4.073 20 30 CIEDHN C[C@@H](N[C@H]1CCC[C@H](C#N)C1)c1ccccc1Cl ZINC000185755816 327844535 /nfs/dbraw/zinc/84/45/35/327844535.db2.gz BWWIKVDEWFEDBC-AGIUHOORSA-N 0 3 262.784 4.073 20 30 CIEDHN N#Cc1ccc(CN2CCCCC[C@@H]2c2ccccc2)nc1 ZINC000565167213 328070059 /nfs/dbraw/zinc/07/00/59/328070059.db2.gz XNJSWULBMNVKFD-LJQANCHMSA-N 0 3 291.398 4.071 20 30 CIEDHN C=CCC[C@@H](N[C@@H]1C[C@H]1c1ccco1)c1ccco1 ZINC000414349722 328155663 /nfs/dbraw/zinc/15/56/63/328155663.db2.gz PVUCIBHTPGZCTL-MGPQQGTHSA-N 0 3 257.333 4.026 20 30 CIEDHN C[C@@H]1C[C@H](NCc2ccc(CC#N)cc2)c2ccccc21 ZINC000571641843 328167260 /nfs/dbraw/zinc/16/72/60/328167260.db2.gz RZSXDMCVXDLUEC-KUHUBIRLSA-N 0 3 276.383 4.091 20 30 CIEDHN CC(C)(C#N)CCCN1CC=C(c2cccs2)CC1 ZINC000174867797 329164289 /nfs/dbraw/zinc/16/42/89/329164289.db2.gz MHBIZWSWEYTFDR-UHFFFAOYSA-N 0 3 274.433 4.167 20 30 CIEDHN N#Cc1ccc2c(c1)[C@H](NCc1coc3ccccc13)CC2 ZINC000340426113 328275905 /nfs/dbraw/zinc/27/59/05/328275905.db2.gz LKZHPBHIDINUML-GOSISDBHSA-N 0 3 288.350 4.082 20 30 CIEDHN C[C@H](N[C@@H](CCCC#N)c1ccccc1)c1ccccn1 ZINC000340444212 328278192 /nfs/dbraw/zinc/27/81/92/328278192.db2.gz GYGCSCINHUOWMZ-YJBOKZPZSA-N 0 3 279.387 4.167 20 30 CIEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1ccccn1 ZINC000340444207 328278323 /nfs/dbraw/zinc/27/83/23/328278323.db2.gz GYGCSCINHUOWMZ-CRAIPNDOSA-N 0 3 279.387 4.167 20 30 CIEDHN C=C(C)COCCN[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000537962224 328321908 /nfs/dbraw/zinc/32/19/08/328321908.db2.gz QCABXDPNSWXXDE-HNNXBMFYSA-N 0 3 293.476 4.430 20 30 CIEDHN C=C(C)COCCN[C@@H](C)c1ccccc1SCC ZINC000537962354 328324581 /nfs/dbraw/zinc/32/45/81/328324581.db2.gz WCDGTVZZDQPXQQ-AWEZNQCLSA-N 0 3 279.449 4.042 20 30 CIEDHN N#Cc1ccccc1CN1CCC[C@H](c2ccccc2)CC1 ZINC000303196442 328327248 /nfs/dbraw/zinc/32/72/48/328327248.db2.gz NPVUWFYKPOGRPT-SFHVURJKSA-N 0 3 290.410 4.328 20 30 CIEDHN CC[C@@H](N[C@H](C)c1cccc(C#N)c1)c1cccs1 ZINC000049529579 328367929 /nfs/dbraw/zinc/36/79/29/328367929.db2.gz XOTZOKLOPIZLID-IUODEOHRSA-N 0 3 270.401 4.422 20 30 CIEDHN C[C@H](Cc1ccsc1)N[C@H](C)c1ccc(C#N)cc1F ZINC000541904725 328375930 /nfs/dbraw/zinc/37/59/30/328375930.db2.gz ZJVLSKGMVQMHLM-VXGBXAGGSA-N 0 3 288.391 4.041 20 30 CIEDHN C[C@@H](Cc1ccsc1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000541904724 328376025 /nfs/dbraw/zinc/37/60/25/328376025.db2.gz ZJVLSKGMVQMHLM-RYUDHWBXSA-N 0 3 288.391 4.041 20 30 CIEDHN CN(Cc1ccc(C#N)s1)[C@H]1CCCc2ccccc21 ZINC000535068768 328383520 /nfs/dbraw/zinc/38/35/20/328383520.db2.gz ZOCAWLLDSKQPDA-KRWDZBQOSA-N 0 3 282.412 4.129 20 30 CIEDHN CN(Cc1ccc(C#N)s1)[C@@H]1CCCc2ccccc21 ZINC000535068769 328383669 /nfs/dbraw/zinc/38/36/69/328383669.db2.gz ZOCAWLLDSKQPDA-QGZVFWFLSA-N 0 3 282.412 4.129 20 30 CIEDHN C=CCCN[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000184528805 328532650 /nfs/dbraw/zinc/53/26/50/328532650.db2.gz JTGKQGVQUUFRGO-LBPRGKRZSA-N 0 3 258.390 4.037 20 30 CIEDHN C=C(C)COCCN[C@@H](CC)c1ccc(Cl)s1 ZINC000090450978 326922430 /nfs/dbraw/zinc/92/24/30/326922430.db2.gz IMFKKPITZNDBCY-NSHDSACASA-N 0 3 273.829 4.035 20 30 CIEDHN C=CCOc1ccc(CN[C@@H]2CCc3c2cccc3F)cc1 ZINC000506631830 332775908 /nfs/dbraw/zinc/77/59/08/332775908.db2.gz KOVWWAPNOCKYDF-LJQANCHMSA-N 0 3 297.373 4.168 20 30 CIEDHN C=CCC[C@H](NCc1ccc(CN(C)C)cc1)c1ccco1 ZINC000556865325 326975118 /nfs/dbraw/zinc/97/51/18/326975118.db2.gz AZWLPEYQLNVPIU-SFHVURJKSA-N 0 3 298.430 4.138 20 30 CIEDHN CCCCN(Cc1nc(C#N)cs1)[C@@H]1CCC[C@@H](C)C1 ZINC000557395628 327004363 /nfs/dbraw/zinc/00/43/63/327004363.db2.gz PBDJHNRSDYUYFK-UKRRQHHQSA-N 0 3 291.464 4.196 20 30 CIEDHN CC(C)(C)c1ccc(CNCc2ccc(CC#N)cc2)cc1 ZINC000565774420 327009285 /nfs/dbraw/zinc/00/92/85/327009285.db2.gz YILNBFQFLLXPBX-UHFFFAOYSA-N 0 3 292.426 4.340 20 30 CIEDHN N#CCC[C@H](NC/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000255909945 327029124 /nfs/dbraw/zinc/02/91/24/327029124.db2.gz VKRRTZRLEQQSKF-VOFKWLDRSA-N 0 3 294.373 4.474 20 30 CIEDHN N#CCC[C@@H](NC/C=C\c1ccc(F)cc1)c1ccccc1 ZINC000255909944 327029141 /nfs/dbraw/zinc/02/91/41/327029141.db2.gz VKRRTZRLEQQSKF-SFFCAUCYSA-N 0 3 294.373 4.474 20 30 CIEDHN C=CCN(CCOC)[C@H](C)c1cccc2ccccc21 ZINC000557923854 327035342 /nfs/dbraw/zinc/03/53/42/327035342.db2.gz XSOIADMJFUYKLW-OAHLLOKOSA-N 0 3 269.388 4.035 20 30 CIEDHN C[C@@H](NCCC1(F)CCC1)c1ccc(C#N)cc1Cl ZINC000558259186 327083045 /nfs/dbraw/zinc/08/30/45/327083045.db2.gz QAQYHWIQCGINMU-LLVKDONJSA-N 0 3 280.774 4.145 20 30 CIEDHN CC(C)SCCN[C@@H](C)c1ccc(C#N)cc1Cl ZINC000558259672 327083223 /nfs/dbraw/zinc/08/32/23/327083223.db2.gz VXDVFIKUSNMRBB-NSHDSACASA-N 0 3 282.840 4.004 20 30 CIEDHN C=CCN(C)C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000558404585 327091509 /nfs/dbraw/zinc/09/15/09/327091509.db2.gz FSVAVKBRRKBMLP-FMIVXFBMSA-N 0 3 269.310 4.227 20 30 CIEDHN C[C@H]1C[C@@H](NCc2ccc(C#N)c(F)c2)c2ccccc21 ZINC000404577437 332781711 /nfs/dbraw/zinc/78/17/11/332781711.db2.gz SFLGEMLFFQNQEG-KPZWWZAWSA-N 0 3 280.346 4.035 20 30 CIEDHN C=CCOc1ccccc1CN1CC2(CCC2)[C@H]1C1CC1 ZINC000558570685 327105926 /nfs/dbraw/zinc/10/59/26/327105926.db2.gz XSJLMTAYJNOVAB-GOSISDBHSA-N 0 3 283.415 4.016 20 30 CIEDHN 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N#CC1(CN[C@H]2CCC[C@H]2c2ccccc2Cl)CCC1 ZINC000418142251 267363954 /nfs/dbraw/zinc/36/39/54/267363954.db2.gz MKQAVOPLFXWXKX-HOCLYGCPSA-N 0 3 288.822 4.260 20 30 CIEDHN N#CC1(CN[C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CCC1 ZINC000418144409 267364697 /nfs/dbraw/zinc/36/46/97/267364697.db2.gz TXJTZNAFNKWXNU-HOCLYGCPSA-N 0 3 288.822 4.260 20 30 CIEDHN C[C@H](NCC1(C#N)CCC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000418143551 267365513 /nfs/dbraw/zinc/36/55/13/267365513.db2.gz QGAGSTNJBIWAKD-OLZOCXBDSA-N 0 3 276.811 4.115 20 30 CIEDHN Cc1cc(CN[C@H]2CCCc3cc(C#N)ccc32)cs1 ZINC000418153036 267372544 /nfs/dbraw/zinc/37/25/44/267372544.db2.gz YKGOHYJTWMWVAA-KRWDZBQOSA-N 0 3 282.412 4.095 20 30 CIEDHN CC(C)(CCC#N)CN1CCSC[C@@H]1c1cccs1 ZINC000374255582 267767838 /nfs/dbraw/zinc/76/78/38/267767838.db2.gz KIAIEIMQCGRAJK-CYBMUJFWSA-N 0 3 294.489 4.168 20 30 CIEDHN C=CCOc1ccc(CN[C@@H](C)c2cccc(OC)c2)cc1 ZINC000378913794 327766020 /nfs/dbraw/zinc/76/60/20/327766020.db2.gz UYAJYRCMBAHQAJ-HNNXBMFYSA-N 0 3 297.398 4.111 20 30 CIEDHN C[C@H](N[C@H](c1cccs1)C1CC1)c1cccc(C#N)c1 ZINC000540596946 327893799 /nfs/dbraw/zinc/89/37/99/327893799.db2.gz IFLQBUXZNAYJHL-SJCJKPOMSA-N 0 3 282.412 4.422 20 30 CIEDHN CC(C)(C#N)CCN(Cc1ccc(Cl)cc1)C1CC1 ZINC000534215874 328039496 /nfs/dbraw/zinc/03/94/96/328039496.db2.gz WQVZTMOIWIOETD-UHFFFAOYSA-N 0 3 276.811 4.244 20 30 CIEDHN COc1cc(CN[C@@H](C)c2cccc(C)c2C)ccc1C#N ZINC000571096572 328085187 /nfs/dbraw/zinc/08/51/87/328085187.db2.gz NRNAFXAQACUZKM-HNNXBMFYSA-N 0 3 294.398 4.035 20 30 CIEDHN C[C@H](CCC#N)N1CC[C@H](Sc2cccc(Cl)c2)C1 ZINC000411757363 328098678 /nfs/dbraw/zinc/09/86/78/328098678.db2.gz LXDOMWHBEVBCDP-DOMZBBRYSA-N 0 3 294.851 4.199 20 30 CIEDHN C[C@H]1C[C@H](NCc2ccc(CC#N)cc2)c2ccccc21 ZINC000571641844 328167252 /nfs/dbraw/zinc/16/72/52/328167252.db2.gz RZSXDMCVXDLUEC-LIRRHRJNSA-N 0 3 276.383 4.091 20 30 CIEDHN CCCCCCCC(=O)Nc1ccccc1CCN(C)C ZINC000275668701 328215885 /nfs/dbraw/zinc/21/58/85/328215885.db2.gz ORZMUNSQQDPGKY-UHFFFAOYSA-N 0 3 290.451 4.090 20 30 CIEDHN CC(C)[C@@H](NCCCC#N)c1ccc(Cl)cc1F ZINC000180262704 329218990 /nfs/dbraw/zinc/21/89/90/329218990.db2.gz HWXNIUJFMUNFSU-CQSZACIVSA-N 0 3 268.763 4.070 20 30 CIEDHN C=CC[C@H](C)[C@H](C)N[C@H](COCC(C)C)c1ccco1 ZINC000531961424 328337171 /nfs/dbraw/zinc/33/71/71/328337171.db2.gz KRUBRRPSMRAURT-HRCADAONSA-N 0 3 279.424 4.184 20 30 CIEDHN C=CCOc1ccc(CN[C@@H](C)c2ccc(C)s2)cc1 ZINC000049158943 328351114 /nfs/dbraw/zinc/35/11/14/328351114.db2.gz HPFUJFFVAGZKMS-AWEZNQCLSA-N 0 3 287.428 4.472 20 30 CIEDHN C=CCCOCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000389045847 328606476 /nfs/dbraw/zinc/60/64/76/328606476.db2.gz FWCPMTBSZHBWDE-IBGZPJMESA-N 0 3 299.389 4.097 20 30 CIEDHN C[C@H](N[C@H]1c2ccccc2C[C@@H]1C)c1ccc(C#N)cc1 ZINC000538407162 326830341 /nfs/dbraw/zinc/83/03/41/326830341.db2.gz MPUZCQRPSRZOBY-CKFHNAJUSA-N 0 3 276.383 4.142 20 30 CIEDHN N#Cc1cccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)c1 ZINC000037488998 326853734 /nfs/dbraw/zinc/85/37/34/326853734.db2.gz GEJAYTZCTFOUNE-SFHVURJKSA-N 0 3 296.801 4.453 20 30 CIEDHN C=CCOc1ccc(CN[C@H]2CCc3c2cccc3F)cc1 ZINC000506631829 332775799 /nfs/dbraw/zinc/77/57/99/332775799.db2.gz KOVWWAPNOCKYDF-IBGZPJMESA-N 0 3 297.373 4.168 20 30 CIEDHN C=CCC[C@H](NCCSCC(F)(F)F)c1ccco1 ZINC000556885089 326978749 /nfs/dbraw/zinc/97/87/49/326978749.db2.gz GLIBAPVBYPBJRR-NSHDSACASA-N 0 3 293.354 4.172 20 30 CIEDHN CCCCN(Cc1nc(C#N)cs1)[C@H]1CCC[C@@H](C)C1 ZINC000557395624 327004355 /nfs/dbraw/zinc/00/43/55/327004355.db2.gz PBDJHNRSDYUYFK-HIFRSBDPSA-N 0 3 291.464 4.196 20 30 CIEDHN N#CCSCCCN1CCC[C@H]1c1ccc(Cl)cc1 ZINC000074980969 327122786 /nfs/dbraw/zinc/12/27/86/327122786.db2.gz CIGVRMDGWMWCND-HNNXBMFYSA-N 0 3 294.851 4.124 20 30 CIEDHN CCc1oc2ccccc2c1CN(C)[C@@H]1CC[C@@H](C#N)C1 ZINC000559035306 327138587 /nfs/dbraw/zinc/13/85/87/327138587.db2.gz YVPBNLBGMASJCW-ZIAGYGMSSA-N 0 3 282.387 4.119 20 30 CIEDHN C=CCOCCN(C)[C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC000559067038 327139732 /nfs/dbraw/zinc/13/97/32/327139732.db2.gz VRFOQFFLYLEDEP-NSHDSACASA-N 0 3 288.218 4.189 20 30 CIEDHN C[C@H](c1ccco1)N(CCCC(C)(C)C#N)C1CC1 ZINC000086233775 327156265 /nfs/dbraw/zinc/15/62/65/327156265.db2.gz MZTDAEZFLOSEER-CYBMUJFWSA-N 0 3 260.381 4.135 20 30 CIEDHN C=CCC[C@H](N[C@H](C)c1cncnc1C)c1ccccc1 ZINC000564472048 327239653 /nfs/dbraw/zinc/23/96/53/327239653.db2.gz XYNDBTLBRRQOEV-QAPCUYQASA-N 0 3 281.403 4.143 20 30 CIEDHN C=C(C)CNCc1cnc(-c2ccc(Cl)cc2)s1 ZINC000560259173 327294283 /nfs/dbraw/zinc/29/42/83/327294283.db2.gz QFUZBFSOHMMLER-UHFFFAOYSA-N 0 3 278.808 4.129 20 30 CIEDHN CC(C)(CCc1ccccc1)NCc1cc(C#N)ccc1F ZINC000387566797 327344049 /nfs/dbraw/zinc/34/40/49/327344049.db2.gz IQXGUYXJOCUHOP-UHFFFAOYSA-N 0 3 296.389 4.198 20 30 CIEDHN C[C@@H](c1ccccc1)N(CC1CCC1)CC1(C#N)CC1 ZINC000561367052 327389506 /nfs/dbraw/zinc/38/95/06/327389506.db2.gz BYXJWKTWZCTIOT-HNNXBMFYSA-N 0 3 268.404 4.153 20 30 CIEDHN C=CCC(CC=C)c1nc(-c2ccc(CN(C)C)cc2)no1 ZINC000532333856 328770378 /nfs/dbraw/zinc/77/03/78/328770378.db2.gz MOXOUYNUFNZCSK-UHFFFAOYSA-N 0 3 297.402 4.034 20 30 CIEDHN C[C@@H](NCc1ccc(Cl)c(F)c1)c1ccc(C#N)cc1 ZINC000043389324 328789110 /nfs/dbraw/zinc/78/91/10/328789110.db2.gz ZVYOBWIQODXKBB-LLVKDONJSA-N 0 3 288.753 4.202 20 30 CIEDHN C=CCC[C@@H](NCc1ccoc1C)c1ccccc1 ZINC000358024605 328880695 /nfs/dbraw/zinc/88/06/95/328880695.db2.gz RLOVJCGQBHUQJV-QGZVFWFLSA-N 0 3 255.361 4.385 20 30 CIEDHN C=CC[C@H](C)[C@H](C)NCc1ncoc1-c1ccccc1 ZINC000378184810 329042548 /nfs/dbraw/zinc/04/25/48/329042548.db2.gz OBTBSHPRJSQILU-KBPBESRZSA-N 0 3 270.376 4.032 20 30 CIEDHN N#Cc1ccc(CN[C@H](CC2CC2)c2ccccc2)cc1F ZINC000582880506 329284664 /nfs/dbraw/zinc/28/46/64/329284664.db2.gz JVRVXNGOWREAGX-LJQANCHMSA-N 0 3 294.373 4.328 20 30 CIEDHN CC[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000185838801 329330257 /nfs/dbraw/zinc/33/02/57/329330257.db2.gz UMDVDOGZBFFZRD-RBOXIYTFSA-N 0 3 278.346 4.088 20 30 CIEDHN C[C@@H](NCc1ccc(CC#N)cc1)c1ccc(C2CC2)cc1 ZINC000419341656 329718521 /nfs/dbraw/zinc/71/85/21/329718521.db2.gz OMVSGEPPIUYMRT-OAHLLOKOSA-N 0 3 290.410 4.481 20 30 CIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCSc3c(F)cccc32)C1 ZINC000248841464 329900425 /nfs/dbraw/zinc/90/04/25/329900425.db2.gz NUEPCBPISCEVFQ-LALPHHSUSA-N 0 3 290.407 4.035 20 30 CIEDHN N#C[C@@H]1CCC[C@H](N[C@H]2CCSc3c(F)cccc32)C1 ZINC000248841466 329900428 /nfs/dbraw/zinc/90/04/28/329900428.db2.gz NUEPCBPISCEVFQ-XUJVJEKNSA-N 0 3 290.407 4.035 20 30 CIEDHN CC(C)=CCC[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000571750361 329919742 /nfs/dbraw/zinc/91/97/42/329919742.db2.gz OYPKDIXGZMYPLL-UONOGXRCSA-N 0 3 274.383 4.483 20 30 CIEDHN C=CCC[C@@H](CCC)NCc1csc([C@H](C)OC)n1 ZINC000269089121 330067325 /nfs/dbraw/zinc/06/73/25/330067325.db2.gz QAKZZFUTVNOYKM-QWHCGFSZSA-N 0 3 282.453 4.075 20 30 CIEDHN C#CC[C@H](N[C@@H](C)c1sccc1C)c1ccccc1 ZINC000271487932 330079564 /nfs/dbraw/zinc/07/95/64/330079564.db2.gz KMLREWCIRAHASD-HOCLYGCPSA-N 0 3 269.413 4.472 20 30 CIEDHN C#CC[C@H](N[C@H](C)c1ccc2c(c1)COC2)c1ccccc1 ZINC000271413086 330079713 /nfs/dbraw/zinc/07/97/13/330079713.db2.gz AYJXBQTYSAEYJD-QRWLVFNGSA-N 0 3 291.394 4.132 20 30 CIEDHN C#CC[C@@H](N[C@H](C)c1ccc(C)s1)c1ccccc1 ZINC000271440090 330079758 /nfs/dbraw/zinc/07/97/58/330079758.db2.gz FCPBUAGQCRQDJS-GDBMZVCRSA-N 0 3 269.413 4.472 20 30 CIEDHN C#CC[C@H](N[C@H](C)c1sccc1C)c1ccccc1 ZINC000271487934 330079832 /nfs/dbraw/zinc/07/98/32/330079832.db2.gz KMLREWCIRAHASD-ZBFHGGJFSA-N 0 3 269.413 4.472 20 30 CIEDHN C#CC[C@H](N[C@@H](C)c1ccsc1)c1ccccc1 ZINC000271599099 330081152 /nfs/dbraw/zinc/08/11/52/330081152.db2.gz ZIEJBJVWZCRQNN-BBRMVZONSA-N 0 3 255.386 4.163 20 30 CIEDHN C#CC[C@@H](N[C@@H]1CCc2ccccc21)c1ccccc1 ZINC000271556033 330081406 /nfs/dbraw/zinc/08/14/06/330081406.db2.gz SSGSQBLCUZGVPK-RTBURBONSA-N 0 3 261.368 4.028 20 30 CIEDHN C#CC[C@H](N[C@@H](C)c1cccc(OC)c1)c1ccccc1 ZINC000271534114 330081441 /nfs/dbraw/zinc/08/14/41/330081441.db2.gz PZEKUTVTXVDTJH-KXBFYZLASA-N 0 3 279.383 4.110 20 30 CIEDHN C=CCC[C@H](NCc1cnccc1C)c1ccccc1 ZINC000271673013 330081657 /nfs/dbraw/zinc/08/16/57/330081657.db2.gz AEFGXGTVKMMGFD-SFHVURJKSA-N 0 3 266.388 4.187 20 30 CIEDHN CCc1ccc([C@@H](CC)NCc2ccc(C#N)s2)cc1 ZINC000421868708 330099670 /nfs/dbraw/zinc/09/96/70/330099670.db2.gz DCXHYDXICINRDC-QGZVFWFLSA-N 0 3 284.428 4.423 20 30 CIEDHN CCc1ccc([C@H](C)NCc2ccc(C#N)s2)s1 ZINC000421879579 330102035 /nfs/dbraw/zinc/10/20/35/330102035.db2.gz NJPFNJNBOUKOKG-JTQLQIEISA-N 0 3 276.430 4.094 20 30 CIEDHN C=CCC[C@H](CCC)NCc1cc(COC(C)(C)C)on1 ZINC000274959762 330108555 /nfs/dbraw/zinc/10/85/55/330108555.db2.gz GJAJDNKZKGQDTN-AWEZNQCLSA-N 0 3 294.439 4.214 20 30 CIEDHN C=CCC[C@@H](NC[C@@H](CCO)c1ccccc1)c1ccco1 ZINC000276479313 330113252 /nfs/dbraw/zinc/11/32/52/330113252.db2.gz RIKXHRSBUNQKLA-QZTJIDSGSA-N 0 3 299.414 4.043 20 30 CIEDHN C=CC[C@H](C)NCc1csc(Cl)c1Cl ZINC000379666490 330146535 /nfs/dbraw/zinc/14/65/35/330146535.db2.gz XMGPZRPEKHSSJR-ZETCQYMHSA-N 0 3 250.194 4.109 20 30 CIEDHN CC[C@H](NCc1ccc(C#N)cc1)c1cc(C)ccc1C ZINC000527817935 330282862 /nfs/dbraw/zinc/28/28/62/330282862.db2.gz FFSAHTJKHYRLTP-IBGZPJMESA-N 0 3 278.399 4.416 20 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C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1Cl ZINC000248938232 334322486 /nfs/dbraw/zinc/32/24/86/334322486.db2.gz YOFSOOZKAJAKFT-DMDPSCGWSA-N 0 3 280.774 4.212 20 30 CIEDHN Cc1cc(C)cc(CN(Cc2ccc(C#N)cc2)C2CC2)c1 ZINC000552530754 334334017 /nfs/dbraw/zinc/33/40/17/334334017.db2.gz TVNZLZGBDRJRAH-UHFFFAOYSA-N 0 3 290.410 4.340 20 30 CIEDHN CCc1ccc([C@@H](NCc2ccc(C#N)cn2)C(C)C)cc1 ZINC000554363497 334424733 /nfs/dbraw/zinc/42/47/33/334424733.db2.gz MXXWNRNYLANWNB-IBGZPJMESA-N 0 3 293.414 4.003 20 30 CIEDHN Cc1cc([C@H](C)NCc2ccc(CC#N)cc2)cc(C)c1F ZINC000554739219 334450233 /nfs/dbraw/zinc/45/02/33/334450233.db2.gz WGLOTQLIWHUXCE-HNNXBMFYSA-N 0 3 296.389 4.359 20 30 CIEDHN CC[C@H](NCc1ccc(CC#N)cc1)c1cccc(C)c1 ZINC000566619861 334657822 /nfs/dbraw/zinc/65/78/22/334657822.db2.gz UIBARTKLFKBKBF-IBGZPJMESA-N 0 3 278.399 4.302 20 30 CIEDHN N#CCCC1CCN(CCc2ccc(F)cc2Cl)CC1 ZINC000567387961 334711679 /nfs/dbraw/zinc/71/16/79/334711679.db2.gz PHNKWVDUHXIKFM-UHFFFAOYSA-N 0 3 294.801 4.037 20 30 CIEDHN C=CCOc1ccccc1CN[C@H](C)c1cccc(C)c1 ZINC000157206607 334763395 /nfs/dbraw/zinc/76/33/95/334763395.db2.gz BJWCFCRRPMBAHU-MRXNPFEDSA-N 0 3 281.399 4.411 20 30 CIEDHN N#CCc1ccc(CN[C@H]2CCc3ccc(Cl)cc32)cc1 ZINC000567858197 334769132 /nfs/dbraw/zinc/76/91/32/334769132.db2.gz XKCYTZINCOEYCQ-SFHVURJKSA-N 0 3 296.801 4.183 20 30 CIEDHN CC(C)(C#N)CCNC(C)(C)c1ccc(Cl)cc1 ZINC000157943705 334788034 /nfs/dbraw/zinc/78/80/34/334788034.db2.gz DSMUVKDHZKOUCG-UHFFFAOYSA-N 0 3 264.800 4.105 20 30 CIEDHN N#Cc1ccc(CNC2(c3ccccc3)CCCC2)s1 ZINC000176969757 335348924 /nfs/dbraw/zinc/34/89/24/335348924.db2.gz XUVWYVUOTUBCIQ-UHFFFAOYSA-N 0 3 282.412 4.179 20 30 CIEDHN CC(C)(C)c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000177692824 335379497 /nfs/dbraw/zinc/37/94/97/335379497.db2.gz SDAKNDSZWDOOTL-UHFFFAOYSA-N 0 3 284.428 4.207 20 30 CIEDHN N#Cc1csc(CN[C@H](c2ccccc2)C2CCC2)c1 ZINC000177696210 335379804 /nfs/dbraw/zinc/37/98/04/335379804.db2.gz XQAVIFTWCRCHBZ-QGZVFWFLSA-N 0 3 282.412 4.251 20 30 CIEDHN C[C@@H](c1ccc(Cl)cc1)N1CCC(CCC#N)CC1 ZINC000579003234 335698815 /nfs/dbraw/zinc/69/88/15/335698815.db2.gz ABKXJNIANXIAHM-ZDUSSCGKSA-N 0 3 276.811 4.417 20 30 CIEDHN N#CCCCN[C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000182599383 335829366 /nfs/dbraw/zinc/82/93/66/335829366.db2.gz JAWGLFPRZFDZLW-OAHLLOKOSA-N 0 3 262.784 4.075 20 30 CIEDHN C[C@H](N[C@@H]1C=CCCCCC1)c1ccc(C#N)cc1 ZINC000381649571 336069802 /nfs/dbraw/zinc/06/98/02/336069802.db2.gz IXSBBUHGVLMTPD-WMLDXEAASA-N 0 3 254.377 4.098 20 30 CIEDHN C[C@@H](N[C@@H]1C=CCCCCC1)c1ccc(C#N)cc1 ZINC000381649570 336070015 /nfs/dbraw/zinc/07/00/15/336070015.db2.gz IXSBBUHGVLMTPD-RHSMWYFYSA-N 0 3 254.377 4.098 20 30 CIEDHN C[C@@H](c1ccc(C#N)cc1)N1CCC=C(c2ccco2)C1 ZINC000352562321 534047729 /nfs/dbraw/zinc/04/77/29/534047729.db2.gz JMECNWRNGKEMHU-AWEZNQCLSA-N 0 3 278.355 4.002 20 30 CIEDHN CC[C@H](NCc1cc(C)cc(OC)c1)c1ccc(C#N)cc1 ZINC000278829013 522639618 /nfs/dbraw/zinc/63/96/18/522639618.db2.gz TXFPVCZPIKETQK-IBGZPJMESA-N 0 3 294.398 4.116 20 30 CIEDHN CC[C@H](NCc1ccc(C)cc1)c1ccc(C#N)cc1 ZINC000278168247 522644695 /nfs/dbraw/zinc/64/46/95/522644695.db2.gz CDGAQSDEEOACBP-SFHVURJKSA-N 0 3 264.372 4.108 20 30 CIEDHN CC[C@H](N[C@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000278206869 522741181 /nfs/dbraw/zinc/74/11/81/522741181.db2.gz HHXTYRJJSDSKKP-KDOFPFPSSA-N 0 3 264.372 4.360 20 30 CIEDHN CC[C@@H](NCc1ccc(C#N)c(OC)c1)c1ccc(C)cc1 ZINC000353605476 522872418 /nfs/dbraw/zinc/87/24/18/522872418.db2.gz BRJDDIDTINKHTP-GOSISDBHSA-N 0 3 294.398 4.116 20 30 CIEDHN CC[C@@H](N[C@@H](C)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000278675466 522914864 /nfs/dbraw/zinc/91/48/64/522914864.db2.gz JMAFTKQWSCEHRM-IFXJQAMLSA-N 0 3 294.398 4.369 20 30 CIEDHN CCc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000037749603 523943994 /nfs/dbraw/zinc/94/39/94/523943994.db2.gz GOOJATHHTPNUAE-LBPRGKRZSA-N 0 3 270.401 4.033 20 30 CIEDHN N#C[C@H]1CCC[C@@H](NC2(c3ccc(F)cc3F)CCC2)C1 ZINC000193105313 534748077 /nfs/dbraw/zinc/74/80/77/534748077.db2.gz PIAFIFKBOKLIRI-GXTWGEPZSA-N 0 3 290.357 4.016 20 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CC[C@H](NCC(C)(C)CC#N)c1ccc(Cl)cc1 ZINC000414159840 262818707 /nfs/dbraw/zinc/81/87/07/262818707.db2.gz CBSXJMFESCINRQ-AWEZNQCLSA-N 0 3 264.800 4.321 20 30 CIEDHN C[C@@H](NCCC(C)(C)C#N)c1cc2ccccc2o1 ZINC000273259088 263014340 /nfs/dbraw/zinc/01/43/40/263014340.db2.gz HYSOFUFCEOFLGN-GFCCVEGCSA-N 0 3 256.349 4.023 20 30 CIEDHN CC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(Cl)s1 ZINC000274659174 263029072 /nfs/dbraw/zinc/02/90/72/263029072.db2.gz VHUCGTFIUAEXPD-AXFHLTTASA-N 0 3 268.813 4.134 20 30 CIEDHN C[C@H](NCCCCC(C)(C)C#N)c1ccc(F)cc1F ZINC000277664283 263042887 /nfs/dbraw/zinc/04/28/87/263042887.db2.gz JFWJKTFCJPLCFQ-LBPRGKRZSA-N 0 3 280.362 4.335 20 30 CIEDHN Cn1cccc1[C@@H]1CCCCN1CCCCC(C)(C)C#N ZINC000277716230 263043142 /nfs/dbraw/zinc/04/31/42/263043142.db2.gz NCWLIGWLDDZYCH-KRWDZBQOSA-N 0 3 287.451 4.272 20 30 CIEDHN CN(Cc1csc2ccccc12)[C@H]1CC[C@@H](C#N)C1 ZINC000278569839 263049195 /nfs/dbraw/zinc/04/91/95/263049195.db2.gz JEFAOESQPYMKKN-OCCSQVGLSA-N 0 3 270.401 4.025 20 30 CIEDHN C[C@@H](NCCCCC(C)(C)C#N)c1c(F)cccc1F ZINC000278824075 263051184 /nfs/dbraw/zinc/05/11/84/263051184.db2.gz PWRMZKYOCBQQJR-GFCCVEGCSA-N 0 3 280.362 4.335 20 30 CIEDHN CSc1ccc([C@@H](C)N[C@H]2CCC[C@@H](C#N)C2)cc1 ZINC000281824136 263072041 /nfs/dbraw/zinc/07/20/41/263072041.db2.gz ZVMUYWLAAFEKCO-NFAWXSAZSA-N 0 3 274.433 4.141 20 30 CIEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000282520459 263077222 /nfs/dbraw/zinc/07/72/22/263077222.db2.gz ZOSCHZOWZFFRCC-MISXGVKJSA-N 0 3 282.309 4.048 20 30 CIEDHN Cc1cncc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000340438018 263147657 /nfs/dbraw/zinc/14/76/57/263147657.db2.gz XYRXXEGMIZJWJO-VQIMIIECSA-N 0 3 293.414 4.476 20 30 CIEDHN Cc1cncc([C@@H](C)N[C@@H](CCCC#N)c2ccccc2)c1 ZINC000340438009 263147802 /nfs/dbraw/zinc/14/78/02/263147802.db2.gz XYRXXEGMIZJWJO-APWZRJJASA-N 0 3 293.414 4.476 20 30 CIEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cncs1 ZINC000340445905 263152467 /nfs/dbraw/zinc/15/24/67/263152467.db2.gz MDFQIMSZMLYUIS-DZGCQCFKSA-N 0 3 285.416 4.229 20 30 CIEDHN C[C@@H](N[C@H](CCCC#N)c1ccccc1)c1cncc(F)c1 ZINC000340446007 263152518 /nfs/dbraw/zinc/15/25/18/263152518.db2.gz MWBVVLRKNQZOTR-RDTXWAMCSA-N 0 3 297.377 4.306 20 30 CIEDHN C[C@H](CCC#N)N[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000298459574 263219953 /nfs/dbraw/zinc/21/99/53/263219953.db2.gz IBPWIXUEEQZSKP-GHMZBOCLSA-N 0 3 270.298 4.048 20 30 CIEDHN COc1ccc2oc([C@@H](C)N[C@H](C)CCC#N)c(C)c2c1 ZINC000299154984 263232926 /nfs/dbraw/zinc/23/29/26/263232926.db2.gz XCWJMBRZRNCAKL-DGCLKSJQSA-N 0 3 286.375 4.093 20 30 CIEDHN CC[C@@H](N[C@H](C)CCC#N)c1ccccc1OC(F)F ZINC000299733117 263254053 /nfs/dbraw/zinc/25/40/53/263254053.db2.gz YGPVXPBOYKAPSW-DGCLKSJQSA-N 0 3 282.334 4.021 20 30 CIEDHN C[C@H](CCC#N)N[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000299733975 263254503 /nfs/dbraw/zinc/25/45/03/263254503.db2.gz ZEJXPOCOPQTJOX-MNOVXSKESA-N 0 3 270.298 4.048 20 30 CIEDHN COc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1C ZINC000187669266 263266454 /nfs/dbraw/zinc/26/64/54/263266454.db2.gz 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OXEBOBGIFGFAFR-QZTJIDSGSA-N 0 3 295.430 4.095 20 30 CIEDHN CC(C)[C@@H](NCc1cc(C#N)cs1)c1ccc(F)cc1 ZINC000093492200 265182027 /nfs/dbraw/zinc/18/20/27/265182027.db2.gz PMTAXZCIBTTXIP-MRXNPFEDSA-N 0 3 288.391 4.246 20 30 CIEDHN CC(C)C[C@@H](NCc1cc(C#N)cs1)c1ccccc1 ZINC000093492140 265182414 /nfs/dbraw/zinc/18/24/14/265182414.db2.gz VFGDHKSSPDFGQM-QGZVFWFLSA-N 0 3 284.428 4.497 20 30 CIEDHN C[C@@H](NCc1ccc(C2CC2)cc1)c1ccc(C#N)cc1 ZINC000094518598 265247266 /nfs/dbraw/zinc/24/72/66/265247266.db2.gz PQZISZPOGRZNOZ-CQSZACIVSA-N 0 3 276.383 4.286 20 30 CIEDHN Cc1ccc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)cc1F ZINC000094837110 265262059 /nfs/dbraw/zinc/26/20/59/265262059.db2.gz VZVYEOJBPFBSFH-KGLIPLIRSA-N 0 3 282.362 4.418 20 30 CIEDHN C=CCSCCN[C@H]1CCSc2c(Cl)cccc21 ZINC000358023961 266399317 /nfs/dbraw/zinc/39/93/17/266399317.db2.gz LYABPMHXLYDHQZ-ZDUSSCGKSA-N 0 3 299.892 4.386 20 30 CIEDHN C=CCSCCN[C@H]1CCCOc2cc(C)c(C)cc21 ZINC000358022162 266399696 /nfs/dbraw/zinc/39/96/96/266399696.db2.gz IDNQRNMWNMDQEP-INIZCTEOSA-N 0 3 291.460 4.026 20 30 CIEDHN N#Cc1ccc2c(c1)CCCC[C@@H]2NCc1cccs1 ZINC000360819002 266744911 /nfs/dbraw/zinc/74/49/11/266744911.db2.gz GOYBBRIRLUSMTB-KRWDZBQOSA-N 0 3 282.412 4.177 20 30 CIEDHN Cc1cc(CN2CCC[C@@H]2c2ccsc2)ccc1C#N ZINC000362965665 267068085 /nfs/dbraw/zinc/06/80/85/267068085.db2.gz CXBGGEDAJSQFCY-QGZVFWFLSA-N 0 3 282.412 4.265 20 30 CIEDHN COc1cccc(C2=CCN(CCCC(C)(C)C#N)CC2)c1 ZINC000370002576 267283391 /nfs/dbraw/zinc/28/33/91/267283391.db2.gz QNACZVZCOQZNTO-UHFFFAOYSA-N 0 3 298.430 4.114 20 30 CIEDHN N#CC1(CN[C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CCC1 ZINC000418144411 267365489 /nfs/dbraw/zinc/36/54/89/267365489.db2.gz TXJTZNAFNKWXNU-ZBFHGGJFSA-N 0 3 288.822 4.260 20 30 CIEDHN N#Cc1cccc(CN2CCCCC[C@H]2c2ccncc2)c1 ZINC000120168459 267388499 /nfs/dbraw/zinc/38/84/99/267388499.db2.gz MCJMHMQRNILEHM-IBGZPJMESA-N 0 3 291.398 4.071 20 30 CIEDHN N#CCCCCN1CCC(F)(c2ccccc2Cl)CC1 ZINC000376674408 268007900 /nfs/dbraw/zinc/00/79/00/268007900.db2.gz UTZQSOBNLHNWKK-UHFFFAOYSA-N 0 3 294.801 4.294 20 30 CIEDHN CCN(CCCC#N)[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000123296786 268022156 /nfs/dbraw/zinc/02/21/56/268022156.db2.gz HORSGXUUMQSENP-GFCCVEGCSA-N 0 3 284.325 4.392 20 30 CIEDHN C=CCCCCCN1CCC[C@H]1c1nccs1 ZINC000377096520 268047607 /nfs/dbraw/zinc/04/76/07/268047607.db2.gz BOKKRAWWCCLSIQ-ZDUSSCGKSA-N 0 3 250.411 4.026 20 30 CIEDHN COc1cc(CN[C@@H](C)c2ccc(C)c(C)c2)ccc1C#N ZINC000570863847 327628636 /nfs/dbraw/zinc/62/86/36/327628636.db2.gz YYSIZKZCBGBAIR-HNNXBMFYSA-N 0 3 294.398 4.035 20 30 CIEDHN C=C[C@@H](C)N[C@H]1CCSc2ccc(Cl)cc21 ZINC000119334080 327898910 /nfs/dbraw/zinc/89/89/10/327898910.db2.gz QTCZZFQRGFIHQS-SKDRFNHKSA-N 0 3 253.798 4.041 20 30 CIEDHN C=C(CC)CN[C@@H](C)c1ccc(OC)c(Br)c1 ZINC000313532866 327924812 /nfs/dbraw/zinc/92/48/12/327924812.db2.gz HTQPSZUZSIUZGA-NSHDSACASA-N 0 3 298.224 4.075 20 30 CIEDHN N#Cc1cccc(CNCc2csc3ccccc23)c1 ZINC000048068588 328040803 /nfs/dbraw/zinc/04/08/03/328040803.db2.gz FFAMPDDUGLGYKC-UHFFFAOYSA-N 0 3 278.380 4.063 20 30 CIEDHN C=CC[C@@H](Cc1ccccc1)N[C@H](C)c1ccco1 ZINC000414306803 328154377 /nfs/dbraw/zinc/15/43/77/328154377.db2.gz RERRBCVQKOHIKK-ZBFHGGJFSA-N 0 3 255.361 4.118 20 30 CIEDHN C[C@@H](CCC#N)N1CCC(c2nc3ccccc3s2)CC1 ZINC000276346349 328217553 /nfs/dbraw/zinc/21/75/53/328217553.db2.gz VFKMUYKUIUULMC-ZDUSSCGKSA-N 0 3 299.443 4.168 20 30 CIEDHN CCc1nc([C@H](C)NCCCCC(C)(C)C#N)cs1 ZINC000278634560 328228934 /nfs/dbraw/zinc/22/89/34/328228934.db2.gz GOPXMVOMJQJBCA-LBPRGKRZSA-N 0 3 279.453 4.076 20 30 CIEDHN COc1ccc(F)cc1[C@H](C)NCCCCC(C)(C)C#N ZINC000278807903 328230617 /nfs/dbraw/zinc/23/06/17/328230617.db2.gz PAYLWQGZBUNGCX-ZDUSSCGKSA-N 0 3 292.398 4.205 20 30 CIEDHN N#Cc1ccccc1CN1CCC[C@@H](c2ccccc2)CC1 ZINC000303196439 328327268 /nfs/dbraw/zinc/32/72/68/328327268.db2.gz NPVUWFYKPOGRPT-GOSISDBHSA-N 0 3 290.410 4.328 20 30 CIEDHN C[C@@H]1CCN(Cc2ccc(C#N)s2)[C@@H]2CCCC[C@H]12 ZINC000535072811 328384255 /nfs/dbraw/zinc/38/42/55/328384255.db2.gz WIJQSGMEVSMVOS-DAXOMENPSA-N 0 3 274.433 4.020 20 30 CIEDHN C=CCOc1ccc(CN[C@H](CC)c2ccccc2)cc1 ZINC000050198481 328391573 /nfs/dbraw/zinc/39/15/73/328391573.db2.gz HKRLEKVAXZQGTG-LJQANCHMSA-N 0 3 281.399 4.492 20 30 CIEDHN Cc1cccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)c1 ZINC000556600016 326953889 /nfs/dbraw/zinc/95/38/89/326953889.db2.gz DXTIKHMFWMRVCO-HNNXBMFYSA-N 0 3 276.383 4.207 20 30 CIEDHN C=CCC[C@H](NCCCSCC)c1ccco1 ZINC000557394762 327004238 /nfs/dbraw/zinc/00/42/38/327004238.db2.gz OXVQHJXRLRQDTC-ZDUSSCGKSA-N 0 3 253.411 4.020 20 30 CIEDHN CCCCN(Cc1nc(C#N)cs1)[C@@H]1CCC[C@H](C)C1 ZINC000557395616 327004287 /nfs/dbraw/zinc/00/42/87/327004287.db2.gz PBDJHNRSDYUYFK-DZGCQCFKSA-N 0 3 291.464 4.196 20 30 CIEDHN C=CCN(C)C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000558404586 327091489 /nfs/dbraw/zinc/09/14/89/327091489.db2.gz FSVAVKBRRKBMLP-XFXZXTDPSA-N 0 3 269.310 4.227 20 30 CIEDHN C=CCOc1cccc(CN(C)[C@H](CC)c2ccncc2)c1 ZINC000558424338 327093307 /nfs/dbraw/zinc/09/33/07/327093307.db2.gz ZUAOAGNNJARUMS-LJQANCHMSA-N 0 3 296.414 4.230 20 30 CIEDHN C=CCOc1cccc(CN(C)[C@@H](CC)c2ccncc2)c1 ZINC000558424335 327093449 /nfs/dbraw/zinc/09/34/49/327093449.db2.gz ZUAOAGNNJARUMS-IBGZPJMESA-N 0 3 296.414 4.230 20 30 CIEDHN CSc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000558482609 327097492 /nfs/dbraw/zinc/09/74/92/327097492.db2.gz FILZINBTMHCEOH-NSHDSACASA-N 0 3 288.441 4.192 20 30 CIEDHN C[C@H](C#N)CN[C@H]1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000558682882 327113756 /nfs/dbraw/zinc/11/37/56/327113756.db2.gz QBJBMWGHMLBRJK-GMXABZIVSA-N 0 3 297.229 4.379 20 30 CIEDHN CC1=C(c2ccco2)CN([C@H](C)c2cccc(C#N)c2)CC1 ZINC000558734565 327118080 /nfs/dbraw/zinc/11/80/80/327118080.db2.gz PVPVCWPBOVABHQ-OAHLLOKOSA-N 0 3 292.382 4.392 20 30 CIEDHN N#CCSCCCN1CCC[C@H]1c1ccccc1Cl ZINC000074981987 327122774 /nfs/dbraw/zinc/12/27/74/327122774.db2.gz AZDBYXYALOBMRG-HNNXBMFYSA-N 0 3 294.851 4.124 20 30 CIEDHN CCc1oc2ccccc2c1CN(C)[C@H]1CC[C@H](C#N)C1 ZINC000559035299 327138487 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MVPBPJAONAOXLY-HNNXBMFYSA-N 0 3 294.801 4.460 20 30 CIEDHN C=CCCCN1CCCC[C@H]1c1nc2ccccc2[nH]1 ZINC000451880108 331046025 /nfs/dbraw/zinc/04/60/25/331046025.db2.gz UQRICWQRNIIXOI-INIZCTEOSA-N 0 3 269.392 4.056 20 30 CIEDHN CSc1ccccc1[C@H](C)NCc1cccc(C#N)c1 ZINC000194845855 331064564 /nfs/dbraw/zinc/06/45/64/331064564.db2.gz IWMSGHWYPORTPH-ZDUSSCGKSA-N 0 3 282.412 4.131 20 30 CIEDHN C=CC[C@H](C)N[C@@H](C)c1ccc(Oc2ccccc2)cn1 ZINC000453145905 331093997 /nfs/dbraw/zinc/09/39/97/331093997.db2.gz NWWQKYYDXOURKX-GJZGRUSLSA-N 0 3 282.387 4.489 20 30 CIEDHN C[C@H](N[C@@H]1CCCc2c(F)cccc21)c1cccc(C#N)c1 ZINC000453225023 331103579 /nfs/dbraw/zinc/10/35/79/331103579.db2.gz CUVFSJLZKHCAEK-ORAYPTAESA-N 0 3 294.373 4.426 20 30 CIEDHN C=CC[C@H](CC)N[C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453232356 331104690 /nfs/dbraw/zinc/10/46/90/331104690.db2.gz YRFRBIITKFKSEN-ZBFHGGJFSA-N 0 3 283.419 4.092 20 30 CIEDHN C=CC(C)(C)CN[C@@H](c1ccccc1)c1ccc(F)cn1 ZINC000453303815 331113622 /nfs/dbraw/zinc/11/36/22/331113622.db2.gz DHEIWMAEACYODJ-KRWDZBQOSA-N 0 3 284.378 4.112 20 30 CIEDHN Cc1cccc([C@@H](C)N[C@@H](C)c2ccc(C#N)c(F)c2)c1 ZINC000453383209 331126152 /nfs/dbraw/zinc/12/61/52/331126152.db2.gz CCBNOVACFSNPML-KGLIPLIRSA-N 0 3 282.362 4.418 20 30 CIEDHN CC1(C)C[C@@H](NCc2ccc(C#N)c(F)c2)c2ccccc21 ZINC000453396119 331128021 /nfs/dbraw/zinc/12/80/21/331128021.db2.gz YEKLYUQESUPXMA-GOSISDBHSA-N 0 3 294.373 4.210 20 30 CIEDHN C/C(=C\c1ccc(Cl)cc1)CNCC(C)(C)CC#N ZINC000459727261 331296149 /nfs/dbraw/zinc/29/61/49/331296149.db2.gz GAPBVMHTEYOJBH-JLHYYAGUSA-N 0 3 276.811 4.273 20 30 CIEDHN CCC[C@H](CCc1ccccc1)N[C@H]1CCC[C@@H]1C#N ZINC000462066455 331317148 /nfs/dbraw/zinc/31/71/48/331317148.db2.gz HOWPAWBABVNOEW-KURKYZTESA-N 0 3 270.420 4.070 20 30 CIEDHN C=CCCOCCN[C@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000463024207 331337428 /nfs/dbraw/zinc/33/74/28/331337428.db2.gz ODRNGHVZQHNHIB-OAHLLOKOSA-N 0 3 291.435 4.107 20 30 CIEDHN CN(Cc1cccc(C#N)c1)[C@H]1CCCC[C@H]1C(F)(F)F ZINC000463036539 331338151 /nfs/dbraw/zinc/33/81/51/331338151.db2.gz ULPPLMXXTARQAY-CABCVRRESA-N 0 3 296.336 4.111 20 30 CIEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccccc1C(F)(F)F ZINC000463243323 331344015 /nfs/dbraw/zinc/34/40/15/331344015.db2.gz OSAGSTHTVRUMMD-YNEHKIRRSA-N 0 3 296.336 4.438 20 30 CIEDHN C=C(C)CN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000464726920 331365491 /nfs/dbraw/zinc/36/54/91/331365491.db2.gz AVWKZUUINBOPKP-IBGZPJMESA-N 0 3 263.384 4.362 20 30 CIEDHN C[C@H](CCC1CC1)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000469778277 331457927 /nfs/dbraw/zinc/45/79/27/331457927.db2.gz ZLIYLCYJSUMUDC-CYBMUJFWSA-N 0 3 295.348 4.225 20 30 CIEDHN CC(C)[C@@H](N[C@@H](C)CCC#N)c1ccc(Cl)cc1F ZINC000472466787 331537334 /nfs/dbraw/zinc/53/73/34/331537334.db2.gz ZMYYWCRTXSJJJF-XHDPSFHLSA-N 0 3 282.790 4.458 20 30 CIEDHN C=CCC[C@H](O)CN[C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000472771924 331542899 /nfs/dbraw/zinc/54/28/99/331542899.db2.gz NWQWSSWGLLRXRC-PMACEKPBSA-N 0 3 295.426 4.001 20 30 CIEDHN C=CCC[C@H](N[C@@H]1C[C@@H](OCC)C12CCC2)c1ccco1 ZINC000476016776 331651616 /nfs/dbraw/zinc/65/16/16/331651616.db2.gz BLAVVNMKNRJMPU-USXIJHARSA-N 0 3 289.419 4.224 20 30 CIEDHN C[C@@H](NC1(Cc2ccccc2)CC1)c1ccc(C#N)cc1F ZINC000480674665 331783610 /nfs/dbraw/zinc/78/36/10/331783610.db2.gz YGTSRFPRBBHAAY-CQSZACIVSA-N 0 3 294.373 4.123 20 30 CIEDHN C=CCOc1ccccc1CN[C@H]1CCc2ccc(C)cc21 ZINC000482901654 331851858 /nfs/dbraw/zinc/85/18/58/331851858.db2.gz NLSQJJLIMQPCRY-IBGZPJMESA-N 0 3 293.410 4.337 20 30 CIEDHN C=CCCCCCN[C@H](C)c1ccc(Br)cn1 ZINC000482995103 331855253 /nfs/dbraw/zinc/85/52/53/331855253.db2.gz WRSZJPRDBLMTGY-GFCCVEGCSA-N 0 3 297.240 4.241 20 30 CIEDHN C=C(CNCc1cnc(-c2ccco2)s1)c1ccccc1 ZINC000486952283 331951560 /nfs/dbraw/zinc/95/15/60/331951560.db2.gz AWIZZYKREQGDHJ-UHFFFAOYSA-N 0 3 296.395 4.206 20 30 CIEDHN Cc1ccccc1[C@@H](C)NCc1ccc(C#N)c(C)c1 ZINC000488167429 331992707 /nfs/dbraw/zinc/99/27/07/331992707.db2.gz WPLFJJVTFJUYKD-OAHLLOKOSA-N 0 3 264.372 4.026 20 30 CIEDHN Cc1cc(CN[C@]2(C)CCCc3ccccc32)ccc1C#N ZINC000488231562 331995053 /nfs/dbraw/zinc/99/50/53/331995053.db2.gz MJUHAODRNARATK-HXUWFJFHSA-N 0 3 290.410 4.208 20 30 CIEDHN CC(C)(C)C[C@@H]1CCCN1Cc1cc(C#N)ccc1F ZINC000488411865 332005251 /nfs/dbraw/zinc/00/52/51/332005251.db2.gz POKJVUDJNQNNOX-HNNXBMFYSA-N 0 3 274.383 4.098 20 30 CIEDHN Cc1cc(CN2C[C@H](C)[C@@H]2c2ccccc2)ccc1C#N ZINC000488470736 332012171 /nfs/dbraw/zinc/01/21/71/332012171.db2.gz VMJBWTHRSZRSGA-HNAYVOBHSA-N 0 3 276.383 4.060 20 30 CIEDHN C=CCCOCCN[C@H](c1ccccc1)c1ccc(C)cc1 ZINC000494973359 332496270 /nfs/dbraw/zinc/49/62/70/332496270.db2.gz TUUQXDCSUXOYGO-HXUWFJFHSA-N 0 3 295.426 4.267 20 30 CIEDHN CC[C@H]1C[C@]1(NCc1cccc(C#N)c1)c1cccc(C)c1 ZINC000500494128 332611324 /nfs/dbraw/zinc/61/13/24/332611324.db2.gz CNQARWVDYWTJNC-AZUAARDMSA-N 0 3 290.410 4.282 20 30 CIEDHN C=C(CN[C@@H](C)c1ccc(F)c(OC)c1)c1ccccc1 ZINC000504905276 332724303 /nfs/dbraw/zinc/72/43/03/332724303.db2.gz GCVSERUWFCULEZ-AWEZNQCLSA-N 0 3 285.362 4.198 20 30 CIEDHN C[C@H](NC[C@@H]1CCc2ccccc21)c1ccc(C#N)cc1F ZINC000512635163 332977005 /nfs/dbraw/zinc/97/70/05/332977005.db2.gz GIDPAKCOHQLLKQ-BBRMVZONSA-N 0 3 294.373 4.078 20 30 CIEDHN Cc1cc(C)cc(CCN[C@H](C)c2ccc(C#N)cc2F)c1 ZINC000512667917 332979018 /nfs/dbraw/zinc/97/90/18/332979018.db2.gz RYUIGBIWPDTORK-OAHLLOKOSA-N 0 3 296.389 4.208 20 30 CIEDHN CC(C)CSCCCN[C@H](C)c1ccc(C#N)cc1F ZINC000512668455 332979389 /nfs/dbraw/zinc/97/93/89/332979389.db2.gz VCNJAZIJGFDUGP-CYBMUJFWSA-N 0 3 294.439 4.127 20 30 CIEDHN CC(C)(C#N)CCCN(Cc1ccc(F)cc1F)C1CC1 ZINC000174823043 333008347 /nfs/dbraw/zinc/00/83/47/333008347.db2.gz ATQPKVBDUYCFAV-UHFFFAOYSA-N 0 3 292.373 4.259 20 30 CIEDHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2cccc(C#N)c2)C1 ZINC000513256313 333011133 /nfs/dbraw/zinc/01/11/33/333011133.db2.gz LNQDQRIMFXINJT-DNVCBOLYSA-N 0 3 276.383 4.141 20 30 CIEDHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2ccc(C#N)cc2F)C1 ZINC000513265189 333011509 /nfs/dbraw/zinc/01/15/09/333011509.db2.gz CVZJAWHTJMNVEH-KUHUBIRLSA-N 0 3 294.373 4.280 20 30 CIEDHN C[C@@H]1C[C@H](c2ccccc2)N(Cc2ccc(C#N)cc2F)C1 ZINC000513265187 333011556 /nfs/dbraw/zinc/01/15/56/333011556.db2.gz CVZJAWHTJMNVEH-AUUYWEPGSA-N 0 3 294.373 4.280 20 30 CIEDHN C=CCC[C@H](NCCc1cccc(F)c1F)c1ccco1 ZINC000513707717 333034447 /nfs/dbraw/zinc/03/44/47/333034447.db2.gz HZDMHUHNTKMRPZ-HNNXBMFYSA-N 0 3 291.341 4.397 20 30 CIEDHN C=C[C@@H](C)N[C@@H](C)c1cc(C)c(Br)s1 ZINC000308599948 333035917 /nfs/dbraw/zinc/03/59/17/333035917.db2.gz ALMIMPKITGVGDB-BDAKNGLRSA-N 0 3 274.227 4.044 20 30 CIEDHN C=CC[C@@H](C)NCc1ccc(F)c(Cl)c1Cl ZINC000309755192 333048654 /nfs/dbraw/zinc/04/86/54/333048654.db2.gz LHWNNFGXUNUXSD-MRVPVSSYSA-N 0 3 262.155 4.187 20 30 CIEDHN CC(C)(C)[C@@H]1CCC[C@H](NC[C@@H](C#N)CCC#N)CC1 ZINC000516763306 333081983 /nfs/dbraw/zinc/08/19/83/333081983.db2.gz OQFQXYFQOCRBGW-OAGGEKHMSA-N 0 3 275.440 4.015 20 30 CIEDHN CC(C)[C@H]1CCc2ccccc2[C@H]1NCc1ccc(C#N)o1 ZINC000185082248 333135160 /nfs/dbraw/zinc/13/51/60/333135160.db2.gz MUGWWUCZJBCMHJ-MJGOQNOKSA-N 0 3 294.398 4.201 20 30 CIEDHN C[C@H](NCCCC#N)c1ccc(Cl)c2ccccc21 ZINC000185394086 333139828 /nfs/dbraw/zinc/13/98/28/333139828.db2.gz PSIXHKIIVFDJSA-LBPRGKRZSA-N 0 3 272.779 4.448 20 30 CIEDHN COc1ccc2cc(CN[C@H]3CCC[C@@H](C#N)C3)ccc2c1 ZINC000185765944 333148234 /nfs/dbraw/zinc/14/82/34/333148234.db2.gz WNGTYTOBRPICMQ-KDOFPFPSSA-N 0 3 294.398 4.020 20 30 CIEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000185769771 333148257 /nfs/dbraw/zinc/14/82/57/333148257.db2.gz WCHAFVMQHIVFRV-HUBLWGQQSA-N 0 3 296.336 4.438 20 30 CIEDHN N#C[C@@H]1CCC[C@H](NCc2ccc3ccccc3c2)C1 ZINC000185818506 333149616 /nfs/dbraw/zinc/14/96/16/333149616.db2.gz YSXLGTGVHYUXRD-KDOFPFPSSA-N 0 3 264.372 4.012 20 30 CIEDHN N#C[C@H]1CCC[C@H](NCc2ccc3ccccc3c2)C1 ZINC000185818469 333149672 /nfs/dbraw/zinc/14/96/72/333149672.db2.gz YSXLGTGVHYUXRD-KSSFIOAISA-N 0 3 264.372 4.012 20 30 CIEDHN CC(C)[C@H](N[C@@H]1CCC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000185856247 333150289 /nfs/dbraw/zinc/15/02/89/333150289.db2.gz QFNRALHRJFBUTL-QEORTHHSSA-N 0 3 292.373 4.334 20 30 CIEDHN CSc1ccc2c(c1)[C@@H](N[C@@H]1CC[C@H](C#N)C1)CCC2 ZINC000572522629 333184858 /nfs/dbraw/zinc/18/48/58/333184858.db2.gz IXVQDCRJJNAVIO-QEORTHHSSA-N 0 3 286.444 4.068 20 30 CIEDHN Cc1ccc(CN(C)[C@H](C)c2cccc(C#N)c2)cc1 ZINC000189347162 333190875 /nfs/dbraw/zinc/19/08/75/333190875.db2.gz RSDSNNQTZGROTL-OAHLLOKOSA-N 0 3 264.372 4.060 20 30 CIEDHN CC(C)(C)CC(C)(C)NCc1cccc(C#N)c1F ZINC000223530346 333208977 /nfs/dbraw/zinc/20/89/77/333208977.db2.gz MBJMILXLSBJQIL-UHFFFAOYSA-N 0 3 262.372 4.002 20 30 CIEDHN Cc1ccccc1[C@H](C)N(C)Cc1cccc(C#N)c1 ZINC000193426285 333249811 /nfs/dbraw/zinc/24/98/11/333249811.db2.gz GTMVQFOWKLUYEC-HNNXBMFYSA-N 0 3 264.372 4.060 20 30 CIEDHN CC(C)N(Cc1cccs1)Cc1ccc(F)c(C#N)c1 ZINC000229749307 333309186 /nfs/dbraw/zinc/30/91/86/333309186.db2.gz ZNSJJDBPRSKBGM-UHFFFAOYSA-N 0 3 288.391 4.169 20 30 CIEDHN C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cccc(C#N)c2)C1 ZINC000524755142 333386786 /nfs/dbraw/zinc/38/67/86/333386786.db2.gz QEGPYDJTHCAHGU-LIRRHRJNSA-N 0 3 294.373 4.280 20 30 CIEDHN C=CCCN1CCC[C@H]1c1cccc(Br)c1 ZINC000524811452 333388700 /nfs/dbraw/zinc/38/87/00/333388700.db2.gz KBTPCHOHQXLWSO-AWEZNQCLSA-N 0 3 280.209 4.162 20 30 CIEDHN C=C(CN[C@@H](C)c1ccc(OC)c(OC)c1)c1ccccc1 ZINC000316417858 333392391 /nfs/dbraw/zinc/39/23/91/333392391.db2.gz BSUHBXYFBUBDPB-HNNXBMFYSA-N 0 3 297.398 4.068 20 30 CIEDHN C[C@@H](N[C@@H](C)c1cccc(C#N)c1)c1ccc(F)c(F)c1 ZINC000037277477 333529900 /nfs/dbraw/zinc/52/99/00/333529900.db2.gz BBPMIHSQCJRHMQ-NWDGAFQWSA-N 0 3 286.325 4.248 20 30 CIEDHN C=C(C)CN[C@H](C)c1ccc(OCCCC)c(OC)c1 ZINC000538169697 333577715 /nfs/dbraw/zinc/57/77/15/333577715.db2.gz ASVABIHUXFYKFB-CQSZACIVSA-N 0 3 277.408 4.101 20 30 CIEDHN C[C@H](N[C@@H](C)c1ccc(C#N)c(F)c1)c1ccccc1 ZINC000538508238 333601256 /nfs/dbraw/zinc/60/12/56/333601256.db2.gz DFXINYDOMLCVIR-STQMWFEESA-N 0 3 268.335 4.109 20 30 CIEDHN CCc1ccccc1CN[C@@H](C)c1ccc(C#N)c(F)c1 ZINC000538509278 333601371 /nfs/dbraw/zinc/60/13/71/333601371.db2.gz LAQGNZUUQXQGFN-ZDUSSCGKSA-N 0 3 282.362 4.111 20 30 CIEDHN C[C@H](NCC#Cc1ccc(Cl)cc1)c1ccccc1 ZINC000539302394 333665128 /nfs/dbraw/zinc/66/51/28/333665128.db2.gz NYHXTGHHQNDGQX-AWEZNQCLSA-N 0 3 269.775 4.042 20 30 CIEDHN CC[C@@H](NCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000539612753 333681232 /nfs/dbraw/zinc/68/12/32/333681232.db2.gz AFTZMHGGTUHMSM-CQSZACIVSA-N 0 3 264.800 4.321 20 30 CIEDHN COc1ccccc1[C@H](CC(C)C)NCCC(C)(C)C#N ZINC000540715119 333743424 /nfs/dbraw/zinc/74/34/24/333743424.db2.gz WWWQOPKEIPZZNS-INIZCTEOSA-N 0 3 288.435 4.312 20 30 CIEDHN C=CCCC[C@H](C)N[C@@H](c1ncc(C)s1)C1CC1 ZINC000541599849 333783542 /nfs/dbraw/zinc/78/35/42/333783542.db2.gz OAAMGPOCHCPCAE-SMDDNHRTSA-N 0 3 264.438 4.237 20 30 CIEDHN C=CCCC[C@H](C)NC(C)(C)c1ncc(C)s1 ZINC000542580240 333833087 /nfs/dbraw/zinc/83/30/87/333833087.db2.gz KLMURIKKWBVMPX-NSHDSACASA-N 0 3 252.427 4.021 20 30 CIEDHN C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(CC#N)CC1 ZINC000543807172 333901019 /nfs/dbraw/zinc/90/10/19/333901019.db2.gz GKQGRTPWDAWGNV-GFCCVEGCSA-N 0 3 296.336 4.392 20 30 CIEDHN C[C@@H](c1cccc(Cl)c1)N1CCC(CC#N)CC1 ZINC000543811026 333901180 /nfs/dbraw/zinc/90/11/80/333901180.db2.gz MSLMLMWMQGCHTG-LBPRGKRZSA-N 0 3 262.784 4.027 20 30 CIEDHN N#Cc1csc(CN2CCCC[C@@H]2c2ccccc2)c1 ZINC000546691620 334046049 /nfs/dbraw/zinc/04/60/49/334046049.db2.gz MNCFVPMSEGSFLN-QGZVFWFLSA-N 0 3 282.412 4.347 20 30 CIEDHN CCCOc1ccc(CN[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000075755676 334050295 /nfs/dbraw/zinc/05/02/95/334050295.db2.gz AMGGKTSQJABBNX-HNNXBMFYSA-N 0 3 294.398 4.198 20 30 CIEDHN CCCOc1ccc(CN[C@H](C)c2ccc(C#N)cc2)cc1 ZINC000075755678 334050299 /nfs/dbraw/zinc/05/02/99/334050299.db2.gz AMGGKTSQJABBNX-OAHLLOKOSA-N 0 3 294.398 4.198 20 30 CIEDHN N#Cc1ccc(CN[C@@H]2CCCC[C@@H]2Cc2ccccc2)o1 ZINC000237843505 334100307 /nfs/dbraw/zinc/10/03/07/334100307.db2.gz BMAYAGBTFREHCL-VQIMIIECSA-N 0 3 294.398 4.042 20 30 CIEDHN C=CCCN[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000134911511 334108125 /nfs/dbraw/zinc/10/81/25/334108125.db2.gz BHQXSSMTFLYWBT-QGZVFWFLSA-N 0 3 255.336 4.081 20 30 CIEDHN C[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(C#N)cc1 ZINC000135363217 334127678 /nfs/dbraw/zinc/12/76/78/334127678.db2.gz FBHPRNHYEZSXSC-SGTLLEGYSA-N 0 3 280.346 4.035 20 30 CIEDHN C[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(C#N)cc1 ZINC000135363235 334127757 /nfs/dbraw/zinc/12/77/57/334127757.db2.gz FBHPRNHYEZSXSC-XIKOKIGWSA-N 0 3 280.346 4.035 20 30 CIEDHN C[C@@H](N[C@@H]1CCc2cc(F)ccc21)c1ccc(C#N)cc1 ZINC000135363196 334127782 /nfs/dbraw/zinc/12/77/82/334127782.db2.gz FBHPRNHYEZSXSC-KZULUSFZSA-N 0 3 280.346 4.035 20 30 CIEDHN CC[C@@H](NCc1ccc(C#N)s1)c1ccc(C)cc1 ZINC000135669022 334135591 /nfs/dbraw/zinc/13/55/91/334135591.db2.gz AUIMZOJBHMJHNG-MRXNPFEDSA-N 0 3 270.401 4.169 20 30 CIEDHN CC(C)[C@@H](NCc1ccc(C#N)s1)c1ccc(F)cc1 ZINC000135673121 334135802 /nfs/dbraw/zinc/13/58/02/334135802.db2.gz WDNXUIWYONCRBM-MRXNPFEDSA-N 0 3 288.391 4.246 20 30 CIEDHN C[C@@H](NCc1ccc(F)c(C#N)c1)c1cccc(Cl)c1 ZINC000136223534 334149872 /nfs/dbraw/zinc/14/98/72/334149872.db2.gz ZJFHKPCDPHJVME-LLVKDONJSA-N 0 3 288.753 4.202 20 30 CIEDHN CC[C@@H](CC#N)N[C@@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000136958773 334165955 /nfs/dbraw/zinc/16/59/55/334165955.db2.gz BLNBRVJCRSOAMV-WFASDCNBSA-N 0 3 298.352 4.308 20 30 CIEDHN C[C@H]1CCN(CCCC(C)(C)C#N)[C@@H](c2ccco2)C1 ZINC000245409366 334190427 /nfs/dbraw/zinc/19/04/27/334190427.db2.gz LWKMKFXYWTYCBA-LSDHHAIUSA-N 0 3 274.408 4.383 20 30 CIEDHN N#Cc1ccc(CNCc2cc3ccccc3s2)cc1 ZINC000549830088 334206147 /nfs/dbraw/zinc/20/61/47/334206147.db2.gz NEJCOOGSIDVPQZ-UHFFFAOYSA-N 0 3 278.380 4.063 20 30 CIEDHN C=CCC[C@@H](NC[C@@H](CO)C1CCCCC1)c1ccco1 ZINC000551273158 334244441 /nfs/dbraw/zinc/24/44/41/334244441.db2.gz TZSKKYBCEXABOJ-DLBZAZTESA-N 0 3 291.435 4.065 20 30 CIEDHN C=CCC[C@H](N[C@@H](C)c1ccnc(OC)c1)c1ccccc1 ZINC000551314904 334246707 /nfs/dbraw/zinc/24/67/07/334246707.db2.gz IGCNYRWQUBKCJC-YJBOKZPZSA-N 0 3 296.414 4.448 20 30 CIEDHN 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CC(C)(C)[C@@H](NCCC(C)(C)C#N)c1cccc(F)c1 ZINC000537412681 330435175 /nfs/dbraw/zinc/43/51/75/330435175.db2.gz ZFMKFBJNAVILOF-HNNXBMFYSA-N 0 3 276.399 4.442 20 30 CIEDHN C=C[C@H](C)N[C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000122981734 330437779 /nfs/dbraw/zinc/43/77/79/330437779.db2.gz KXOBNGVFJRWCPM-GBIKHYSHSA-N 0 3 280.209 4.162 20 30 CIEDHN C=C[C@H](C)NCc1ccc(-c2nc3ccccc3s2)o1 ZINC000123200284 330455315 /nfs/dbraw/zinc/45/53/15/330455315.db2.gz COCVHISQIGSWAC-NSHDSACASA-N 0 3 284.384 4.220 20 30 CIEDHN CCSc1ccc([C@H](C)N[C@H](C)CCC#N)cc1 ZINC000428224810 330516562 /nfs/dbraw/zinc/51/65/62/330516562.db2.gz AUDFMGBWNDJDMI-OLZOCXBDSA-N 0 3 262.422 4.141 20 30 CIEDHN CCSc1ccc([C@@H](C)N[C@@H](C)CCC#N)cc1 ZINC000428224811 330516647 /nfs/dbraw/zinc/51/66/47/330516647.db2.gz AUDFMGBWNDJDMI-QWHCGFSZSA-N 0 3 262.422 4.141 20 30 CIEDHN N#CCC1(CN[C@H]2CCc3c2ccc(Cl)c3Cl)CC1 ZINC000430731373 330571753 /nfs/dbraw/zinc/57/17/53/330571753.db2.gz VVFFCDAWGIYTMR-ZDUSSCGKSA-N 0 3 295.213 4.264 20 30 CIEDHN CCC[C@H](NCC1(CC#N)CC1)c1ccc(Cl)cc1 ZINC000430742895 330572424 /nfs/dbraw/zinc/57/24/24/330572424.db2.gz PWKPLWZCEMWQCG-HNNXBMFYSA-N 0 3 276.811 4.465 20 30 CIEDHN C=C(C)[C@@H]1OCC[C@@H]1CN[C@H](C)c1ccc(F)cc1Cl ZINC000436306621 330675044 /nfs/dbraw/zinc/67/50/44/330675044.db2.gz LEPLREIQBHCBEO-HSMVNMDESA-N 0 3 297.801 4.111 20 30 CIEDHN CCC[C@H](N[C@@H]1CC[C@H](C#N)C1)c1ccc(F)cc1F ZINC000442786819 330783251 /nfs/dbraw/zinc/78/32/51/330783251.db2.gz XPIZBIYTUICQCG-GHJWDPDVSA-N 0 3 278.346 4.088 20 30 CIEDHN CC(N[C@@H]1CC[C@H](C#N)C1)(c1ccccc1)c1ccccc1 ZINC000442853587 330787120 /nfs/dbraw/zinc/78/71/20/330787120.db2.gz UUDLRUSVDJRXPQ-QFBILLFUSA-N 0 3 290.410 4.232 20 30 CIEDHN Cc1cc(CN[C@@H]2CC(C)(C)c3ccccc32)ccc1C#N ZINC000443981421 330808293 /nfs/dbraw/zinc/80/82/93/330808293.db2.gz APEBMQCLKFZVBO-LJQANCHMSA-N 0 3 290.410 4.379 20 30 CIEDHN Cc1oc2ccccc2c1CNCc1ccc(C#N)c(C)c1 ZINC000443981352 330808351 /nfs/dbraw/zinc/80/83/51/330808351.db2.gz ALGZSMDALMPNNZ-UHFFFAOYSA-N 0 3 290.366 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CIEDHN N#Cc1c(F)cccc1CN[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000428497096 260768347 /nfs/dbraw/zinc/76/83/47/260768347.db2.gz TVTSORJBGVPQNS-VQIMIIECSA-N 0 3 294.373 4.123 20 30 CIEDHN CN(Cc1ccccc1Cl)CC(C)(C)CCC#N ZINC000160826439 261227838 /nfs/dbraw/zinc/22/78/38/261227838.db2.gz IGJWWOUYJXIVEF-UHFFFAOYSA-N 0 3 264.800 4.102 20 30 CIEDHN N#Cc1ccc(CN[C@@H]2CCc3c2cccc3Cl)s1 ZINC000176957607 261678754 /nfs/dbraw/zinc/67/87/54/261678754.db2.gz KXPOUQFQLLBMAN-OAHLLOKOSA-N 0 3 288.803 4.050 20 30 CIEDHN C[C@@H](NC[C@H]1CCC2(CCCCC2)O1)c1ccc(C#N)cc1 ZINC000319264204 262191323 /nfs/dbraw/zinc/19/13/23/262191323.db2.gz WLBRPISCKQAJIW-CRAIPNDOSA-N 0 3 298.430 4.091 20 30 CIEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1cc2ccccc2o1 ZINC000193336967 262220840 /nfs/dbraw/zinc/22/08/40/262220840.db2.gz FURKBIWPTRZGTA-GZBFAFLISA-N 0 3 268.360 4.166 20 30 CIEDHN C=CCOc1ccc(CN[C@H](C)c2ccccc2C)cc1 ZINC000020023085 262225803 /nfs/dbraw/zinc/22/58/03/262225803.db2.gz IKWKHFHVVPKLET-MRXNPFEDSA-N 0 3 281.399 4.411 20 30 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ZINC000126538178 333599511 /nfs/dbraw/zinc/59/95/11/333599511.db2.gz RTHJGUCZXOWIAV-HSWBROFVSA-N 0 3 280.346 4.061 20 30 CIEDHN CC(C)Oc1ccccc1[C@H](C)NCCC(C)(C)C#N ZINC000538512075 333602109 /nfs/dbraw/zinc/60/21/09/333602109.db2.gz AOZOSDOHOWZZGB-AWEZNQCLSA-N 0 3 274.408 4.064 20 30 CIEDHN C=CCC[C@H](C)NCc1cc(Br)ccc1F ZINC000126744018 333604071 /nfs/dbraw/zinc/60/40/71/333604071.db2.gz ZXXCGOKGLJAGCM-JTQLQIEISA-N 0 3 286.188 4.033 20 30 CIEDHN C=CC1CCN(Cc2cnc(-c3ccccc3)s2)CC1 ZINC000539828807 333695682 /nfs/dbraw/zinc/69/56/82/333695682.db2.gz RIAOUZKHXGVHQA-UHFFFAOYSA-N 0 3 284.428 4.208 20 30 CIEDHN CCCCCOc1ccc([C@@H](C)NCCCC#N)cc1 ZINC000541569459 333781386 /nfs/dbraw/zinc/78/13/86/333781386.db2.gz BZLXEFAKCLDALW-OAHLLOKOSA-N 0 3 274.408 4.210 20 30 CIEDHN C=CCCC[C@@H](C)N[C@H](c1ncc(C)s1)C1CC1 ZINC000541599848 333783600 /nfs/dbraw/zinc/78/36/00/333783600.db2.gz OAAMGPOCHCPCAE-RISCZKNCSA-N 0 3 264.438 4.237 20 30 CIEDHN C[C@@H](NC/C=C\c1ccc(F)cc1F)c1ccc(C#N)cc1 ZINC000541791772 333792864 /nfs/dbraw/zinc/79/28/64/333792864.db2.gz IEPMAORSINUQEV-XQJDBVBESA-N 0 3 298.336 4.200 20 30 CIEDHN C[C@@H](c1ccccc1Cl)N1CCC(CC#N)CC1 ZINC000543809910 333901273 /nfs/dbraw/zinc/90/12/73/333901273.db2.gz QYCAAWVPQKCULJ-LBPRGKRZSA-N 0 3 262.784 4.027 20 30 CIEDHN CC[C@@H](CC#N)NC1CCC(C)(c2ccccc2)CC1 ZINC000545873234 334003542 /nfs/dbraw/zinc/00/35/42/334003542.db2.gz ZUCDYZHMBYWAAT-AOCRQIFASA-N 0 3 270.420 4.169 20 30 CIEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc2c(c1)CCCC2 ZINC000546211576 334019698 /nfs/dbraw/zinc/01/96/98/334019698.db2.gz SDWTWCBESSDCJJ-CQSZACIVSA-N 0 3 270.420 4.156 20 30 CIEDHN C=CC[C@H](C)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000134748644 334102868 /nfs/dbraw/zinc/10/28/68/334102868.db2.gz WJZLGRRHAGEWSY-LBPRGKRZSA-N 0 3 259.324 4.140 20 30 CIEDHN C=CC[C@H](C)N[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000135749951 334137956 /nfs/dbraw/zinc/13/79/56/334137956.db2.gz IMRUNZRZYFJTAH-KBXCAEBGSA-N 0 3 269.363 4.469 20 30 CIEDHN CC[C@H](CC#N)N[C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000136958886 334165920 /nfs/dbraw/zinc/16/59/20/334165920.db2.gz BLNBRVJCRSOAMV-IUODEOHRSA-N 0 3 298.352 4.308 20 30 CIEDHN C=CCOCCN([C@H](C)c1ccc(Cl)cc1)C1CC1 ZINC000549899873 334208211 /nfs/dbraw/zinc/20/82/11/334208211.db2.gz WVEYJKSKYXPFKP-CYBMUJFWSA-N 0 3 279.811 4.068 20 30 CIEDHN C=CCC(C)(C)CN[C@H](C)c1cc(OC)c(OC)cc1F ZINC000551240291 334242403 /nfs/dbraw/zinc/24/24/03/334242403.db2.gz INJWMEFXYODIJA-GFCCVEGCSA-N 0 3 295.398 4.096 20 30 CIEDHN CC(C)(C#N)CCNC1(c2ccc(Cl)cc2)CCC1 ZINC000551748544 334259804 /nfs/dbraw/zinc/25/98/04/334259804.db2.gz URCLPGUCWBHMBI-UHFFFAOYSA-N 0 3 276.811 4.249 20 30 CIEDHN CCc1ccc(C(C)(C)NCc2cc(C#N)cs2)cc1 ZINC000083477837 334262558 /nfs/dbraw/zinc/26/25/58/334262558.db2.gz NUTIBNCMOVFARX-UHFFFAOYSA-N 0 3 284.428 4.207 20 30 CIEDHN C=C(C)CCN1CCC(C(=O)c2ccc(C)cc2C)CC1 ZINC000551976105 334268664 /nfs/dbraw/zinc/26/86/64/334268664.db2.gz GTDQFAYRAWCTNW-UHFFFAOYSA-N 0 3 285.431 4.164 20 30 CIEDHN C=CCOc1ccc(CN[C@H](c2cccnc2)C(C)C)cc1 ZINC000552088645 334287846 /nfs/dbraw/zinc/28/78/46/334287846.db2.gz OLLXXBVPVXKCLH-IBGZPJMESA-N 0 3 296.414 4.133 20 30 CIEDHN C=CCC[C@@H](C)NCc1ccncc1OCc1ccccc1 ZINC000552091809 334288359 /nfs/dbraw/zinc/28/83/59/334288359.db2.gz YTVLYHCDGOYKPO-MRXNPFEDSA-N 0 3 296.414 4.105 20 30 CIEDHN C=CCC[C@H](N[C@H]1CCO[C@@H](CC(C)C)C1)c1ccco1 ZINC000552289606 334313648 /nfs/dbraw/zinc/31/36/48/334313648.db2.gz CXGJEKGASHDKGR-ULQDDVLXSA-N 0 3 291.435 4.470 20 30 CIEDHN COc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)c(F)c2)cc1 ZINC000553790889 334399090 /nfs/dbraw/zinc/39/90/90/334399090.db2.gz GIKRDHXTYZLBMO-CHWSQXEVSA-N 0 3 298.361 4.118 20 30 CIEDHN CSc1ccccc1CN[C@H](C)c1ccc(C#N)cc1 ZINC000554842018 334455568 /nfs/dbraw/zinc/45/55/68/334455568.db2.gz BWHFUQCFXMIJSU-CYBMUJFWSA-N 0 3 282.412 4.131 20 30 CIEDHN COc1cc(CN[C@H](C)c2ccc(C)cc2C)ccc1C#N ZINC000564439328 334508371 /nfs/dbraw/zinc/50/83/71/334508371.db2.gz PGTFXAMKCFZXJV-OAHLLOKOSA-N 0 3 294.398 4.035 20 30 CIEDHN C=CCCCCCN[C@H](C)c1nc2c(s1)CCCC2 ZINC000567421658 334715284 /nfs/dbraw/zinc/71/52/84/334715284.db2.gz LEQGASOAFIVNBS-CYBMUJFWSA-N 0 3 278.465 4.419 20 30 CIEDHN C=CCOc1ccc(CN[C@H](C)c2cccc(C)c2)cc1 ZINC000157199568 334763200 /nfs/dbraw/zinc/76/32/00/334763200.db2.gz CGEOZFNKGPFRPT-MRXNPFEDSA-N 0 3 281.399 4.411 20 30 CIEDHN C=CCCCCN[C@H](C)c1nc2ccccc2n1C(F)F ZINC000569181346 334859570 /nfs/dbraw/zinc/85/95/70/334859570.db2.gz BOSACDOKEOZYEZ-GFCCVEGCSA-N 0 3 293.361 4.438 20 30 CIEDHN N#CCCC1CCN(Cc2ccc(-c3ccccc3)o2)CC1 ZINC000569245197 334863629 /nfs/dbraw/zinc/86/36/29/334863629.db2.gz GFOLWOILMLVRQZ-UHFFFAOYSA-N 0 3 294.398 4.462 20 30 CIEDHN C=CCC[C@H](CCC)NCc1noc2ccccc21 ZINC000576478827 335209914 /nfs/dbraw/zinc/20/99/14/335209914.db2.gz DUAJDEQTLWSIJG-ZDUSSCGKSA-N 0 3 258.365 4.052 20 30 CIEDHN N#CCCC1CCN(Cc2cc3cc(F)ccc3o2)CC1 ZINC000576876197 335258987 /nfs/dbraw/zinc/25/89/87/335258987.db2.gz NXTCDFGFPRUJPE-UHFFFAOYSA-N 0 3 286.350 4.088 20 30 CIEDHN C=CCC[C@@H](CCC)N[C@@H](C)c1c(F)cncc1F ZINC000577306759 335337168 /nfs/dbraw/zinc/33/71/68/335337168.db2.gz VHVRKKLKLBKYET-NWDGAFQWSA-N 0 3 268.351 4.145 20 30 CIEDHN C[C@@H]1Cc2ccccc2[C@@H]1N[C@@H]1CCc2ccc(C#N)cc21 ZINC000577921798 335420907 /nfs/dbraw/zinc/42/09/07/335420907.db2.gz WEJFBEBJUDUJGA-SMHULIPUSA-N 0 3 288.394 4.069 20 30 CIEDHN CCOc1ccccc1[C@@H](CC(C)C)NCCCC#N ZINC000181267386 335756458 /nfs/dbraw/zinc/75/64/58/335756458.db2.gz AZPSSBJONZCJCC-MRXNPFEDSA-N 0 3 274.408 4.066 20 30 CIEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(CC#N)cc1)[C@@H](C)C2 ZINC000581369628 336062808 /nfs/dbraw/zinc/06/28/08/336062808.db2.gz MHVOAKUKEYMUOZ-MGPUTAFESA-N 0 3 290.410 4.084 20 30 CIEDHN C=CCCC[C@@H](C)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000538408969 517325215 /nfs/dbraw/zinc/32/52/15/517325215.db2.gz AKHNBYPKVVKYOU-OLZOCXBDSA-N 0 3 278.465 4.417 20 30 CIEDHN CC[C@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(C#N)cc1 ZINC000278633871 522758650 /nfs/dbraw/zinc/75/86/50/522758650.db2.gz HEQBMKPERMWAPX-OALUTQOASA-N 0 3 294.373 4.426 20 30 CIEDHN CC[C@@H](NCc1cc(C)cc(OC)c1)c1ccc(C#N)cc1 ZINC000278829016 522870334 /nfs/dbraw/zinc/87/03/34/522870334.db2.gz TXFPVCZPIKETQK-LJQANCHMSA-N 0 3 294.398 4.116 20 30 CIEDHN CC[C@@H](N[C@H](C)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000278675464 522938398 /nfs/dbraw/zinc/93/83/98/522938398.db2.gz JMAFTKQWSCEHRM-AUUYWEPGSA-N 0 3 294.398 4.369 20 30 CIEDHN CC[C@@H](N[C@H]1CCc2cc(F)ccc21)c1ccc(C#N)cc1 ZINC000278633868 522952102 /nfs/dbraw/zinc/95/21/02/522952102.db2.gz HEQBMKPERMWAPX-MOPGFXCFSA-N 0 3 294.373 4.426 20 30 CIEDHN C[C@H](N[C@H](c1ccccc1)C1CC1)c1ccc(C#N)cc1 ZINC000037075245 525598753 /nfs/dbraw/zinc/59/87/53/525598753.db2.gz MASXFZLJOIMMKB-IFXJQAMLSA-N 0 3 276.383 4.360 20 30 CIEDHN C[C@H](N[C@H]1CCCc2sccc21)c1cccc(C#N)c1 ZINC000061360183 525613873 /nfs/dbraw/zinc/61/38/73/525613873.db2.gz PXPMVNJVRGIKBH-LRDDRELGSA-N 0 3 282.412 4.348 20 30 CIEDHN C[C@@H](N[C@H]1CCCc2sccc21)c1ccc(C#N)cc1 ZINC000061326716 525680899 /nfs/dbraw/zinc/68/08/99/525680899.db2.gz QXURSYUGUYTXGF-WBMJQRKESA-N 0 3 282.412 4.348 20 30 CIEDHN Cc1ccc([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)s1 ZINC000036991882 525747378 /nfs/dbraw/zinc/74/73/78/525747378.db2.gz WTKFQIBQSLRJRU-CHWSQXEVSA-N 0 3 270.401 4.340 20 30 CIEDHN C=CC1CCN(Cc2cnc(C3CCCC3)s2)CC1 ZINC000353587877 526980154 /nfs/dbraw/zinc/98/01/54/526980154.db2.gz BVOOTLYAWJTJMO-UHFFFAOYSA-N 0 3 276.449 4.199 20 30 CIEDHN C=CCC[C@H](NCc1ccc(CC)nc1)c1ccccc1 ZINC000352761724 527485388 /nfs/dbraw/zinc/48/53/88/527485388.db2.gz YUCJJUOOLXYKRO-IBGZPJMESA-N 0 3 280.415 4.441 20 30 CIEDHN C[C@@H]1C[C@@H](c2ccccc2)N(Cc2cc(C#N)cs2)C1 ZINC000574320825 335010043 /nfs/dbraw/zinc/01/00/43/335010043.db2.gz ZROTZZVNLDEVDZ-DYVFJYSZSA-N 0 3 282.412 4.203 20 30 CIEDHN C=CCN(CCc1ccc(C)cc1)Cc1cccc(C#N)c1 ZINC000574674211 335038568 /nfs/dbraw/zinc/03/85/68/335038568.db2.gz HLNXLYBTPQBXBB-UHFFFAOYSA-N 0 3 290.410 4.097 20 30 CIEDHN C=CCC(C)(C)CNCc1coc(-c2ccccc2)n1 ZINC000574697593 335040599 /nfs/dbraw/zinc/04/05/99/335040599.db2.gz LRPMKXGMRARQAY-UHFFFAOYSA-N 0 3 270.376 4.034 20 30 CIEDHN CC[C@@H](NCc1cscc1C)c1ccc(C#N)cc1 ZINC000494479268 262272915 /nfs/dbraw/zinc/27/29/15/262272915.db2.gz VAQXTPOVASIEMG-MRXNPFEDSA-N 0 3 270.401 4.169 20 30 CIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NCc1ccc(F)c(F)c1 ZINC000341758638 130025986 /nfs/dbraw/zinc/02/59/86/130025986.db2.gz CFCDAUMSMUUSPN-GOSISDBHSA-N 0 3 298.336 4.004 20 30 CIEDHN Cc1ccccc1CN[C@@H]1CCCc2cc(C#N)ccc21 ZINC000341760814 130026555 /nfs/dbraw/zinc/02/65/55/130026555.db2.gz MIEBWTDYAVXGAB-LJQANCHMSA-N 0 3 276.383 4.034 20 30 CIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccc(F)c1 ZINC000020147843 171035254 /nfs/dbraw/zinc/03/52/54/171035254.db2.gz ZVWSNNKEEDGEJV-QWHCGFSZSA-N 0 3 268.335 4.109 20 30 CIEDHN C[C@H](N[C@@H](C)c1ccc(OCC#N)cc1)c1ccccc1 ZINC000037185699 260072979 /nfs/dbraw/zinc/07/29/79/260072979.db2.gz ACHVSVWQRRUJOD-GJZGRUSLSA-N 0 3 280.371 4.001 20 30 CIEDHN COc1cc(CN[C@@H](C)c2cc(C)cc(C)c2)ccc1C#N ZINC000575168310 335074665 /nfs/dbraw/zinc/07/46/65/335074665.db2.gz JAEJLNAEXNRJJO-HNNXBMFYSA-N 0 3 294.398 4.035 20 30 CIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3ccccc31)CC2 ZINC000353320553 228085212 /nfs/dbraw/zinc/08/52/12/228085212.db2.gz BGZUFVCVZKBIHY-PMACEKPBSA-N 0 3 288.394 4.213 20 30 CIEDHN N#Cc1ccc2c(c1)[C@H](N[C@H]1CCCc3ccccc31)CC2 ZINC000353320555 228085397 /nfs/dbraw/zinc/08/53/97/228085397.db2.gz BGZUFVCVZKBIHY-VQTJNVASSA-N 0 3 288.394 4.213 20 30 CIEDHN CC(C)(C)[C@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000036994625 260061111 /nfs/dbraw/zinc/06/11/11/260061111.db2.gz WMJSCKMKLCDGGT-GOSISDBHSA-N 0 3 278.399 4.435 20 30 CIEDHN C[C@H](N[C@@H]1CCSc2ccccc21)c1cccc(C#N)c1 ZINC000037316084 260085308 /nfs/dbraw/zinc/08/53/08/260085308.db2.gz JNSGJPCVKLXRJH-SUMWQHHRSA-N 0 3 294.423 4.446 20 30 CIEDHN Cc1ccccc1[C@@H]1CCCN1Cc1cc(C#N)cs1 ZINC000180153784 260095034 /nfs/dbraw/zinc/09/50/34/260095034.db2.gz AUWFSFBDQAPNDJ-KRWDZBQOSA-N 0 3 282.412 4.265 20 30 CIEDHN C=CCC(C)(C)CN[C@H](C)c1cccc(F)c1F ZINC000394128003 260112196 /nfs/dbraw/zinc/11/21/96/260112196.db2.gz BXVQHPFEPXMHCM-LLVKDONJSA-N 0 3 253.336 4.218 20 30 CIEDHN N#Cc1cccc(CN[C@H]2CCCCc3ccccc32)c1 ZINC000037748576 260116070 /nfs/dbraw/zinc/11/60/70/260116070.db2.gz KVEGLLSPMCVIMB-IBGZPJMESA-N 0 3 276.383 4.116 20 30 CIEDHN CCCCOc1ccc(CNCc2cccc(C#N)c2)cc1 ZINC000073870151 260164827 /nfs/dbraw/zinc/16/48/27/260164827.db2.gz IEAZMHLJAJUFTR-UHFFFAOYSA-N 0 3 294.398 4.027 20 30 CIEDHN CC(C)Oc1ccc([C@H](C)NCc2ccc(C#N)cc2)cc1 ZINC000078968469 260172409 /nfs/dbraw/zinc/17/24/09/260172409.db2.gz UMNOHZGNFOSUQZ-HNNXBMFYSA-N 0 3 294.398 4.196 20 30 CIEDHN C=CCSCCN[C@H](C)c1ccc(F)cc1Cl ZINC000221942725 260224102 /nfs/dbraw/zinc/22/41/02/260224102.db2.gz QJMOXOHMQSLCBV-SNVBAGLBSA-N 0 3 273.804 4.049 20 30 CIEDHN C=CCCCN[C@@H](C)c1ccccc1Br ZINC000088162707 260278637 /nfs/dbraw/zinc/27/86/37/260278637.db2.gz PBNQZDNOEBLFKA-NSHDSACASA-N 0 3 268.198 4.066 20 30 CIEDHN C=CC[C@H](CC)NCc1csc(Cl)c1Cl ZINC000308900321 260296688 /nfs/dbraw/zinc/29/66/88/260296688.db2.gz BEWPXQOPHPOAKF-VIFPVBQESA-N 0 3 264.221 4.499 20 30 CIEDHN N#Cc1c(F)cccc1CN[C@H]1CCC[C@H]1c1ccccc1 ZINC000428497091 260768180 /nfs/dbraw/zinc/76/81/80/260768180.db2.gz TVTSORJBGVPQNS-LPHOPBHVSA-N 0 3 294.373 4.123 20 30 CIEDHN N#CCCCN(Cc1cccc(-c2cccnc2)c1)C1CC1 ZINC000136108501 260924199 /nfs/dbraw/zinc/92/41/99/260924199.db2.gz PKIFMOLELJQKSW-UHFFFAOYSA-N 0 3 291.398 4.017 20 30 CIEDHN C=C(C)COCCN[C@H](C)c1ccc2cc(OC)ccc2c1 ZINC000318432046 261081004 /nfs/dbraw/zinc/08/10/04/261081004.db2.gz MIKOUMFQTHHRDV-OAHLLOKOSA-N 0 3 299.414 4.092 20 30 CIEDHN Cc1cccc([C@H](C)NCc2ccc(OCC#N)cc2)c1C ZINC000180559951 261866384 /nfs/dbraw/zinc/86/63/84/261866384.db2.gz QTXLZOKICMATJI-INIZCTEOSA-N 0 3 294.398 4.057 20 30 CIEDHN Cc1cc([C@@H](C)N[C@@H]2CCC[C@H](C#N)C2)c(C)s1 ZINC000185770069 262069728 /nfs/dbraw/zinc/06/97/28/262069728.db2.gz BXGNBTKOSQNECK-KWCYVHTRSA-N 0 3 262.422 4.098 20 30 CIEDHN CC(C)Oc1cccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185780432 262070747 /nfs/dbraw/zinc/07/07/47/262070747.db2.gz WXIOKJFLQSYHQI-ZOBUZTSGSA-N 0 3 286.419 4.207 20 30 CIEDHN C[C@H](N[C@H]1CCC[C@H](C#N)C1)c1cccc(OC(F)F)c1 ZINC000185779937 262070909 /nfs/dbraw/zinc/07/09/09/262070909.db2.gz KSUHZNNOGJYHOQ-OBJOEFQTSA-N 0 3 294.345 4.021 20 30 CIEDHN CCN(CCOc1ccccc1)[C@H](C)c1ccc(C#N)cc1 ZINC000497593590 262179226 /nfs/dbraw/zinc/17/92/26/262179226.db2.gz FNDYBTUETVEVNE-MRXNPFEDSA-N 0 3 294.398 4.020 20 30 CIEDHN CC(C)(C)C[C@H]1CCCN1Cc1ccc(C#N)cc1F ZINC000488410258 262316940 /nfs/dbraw/zinc/31/69/40/262316940.db2.gz JRPOELWMMSKKJH-OAHLLOKOSA-N 0 3 274.383 4.098 20 30 CIEDHN C[C@H](CCC#N)N[C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000411797221 262706875 /nfs/dbraw/zinc/70/68/75/262706875.db2.gz UCCLHMLJTSYBMF-BMIGLBTASA-N 0 3 280.774 4.212 20 30 CIEDHN Cc1nc(C(C)(C)C)sc1[C@H](C)NCC(C)(C)CC#N ZINC000414164497 262819707 /nfs/dbraw/zinc/81/97/07/262819707.db2.gz KFVYJBSFPQPFFY-NSHDSACASA-N 0 3 293.480 4.340 20 30 CIEDHN C[C@@H](NC1(c2ccccc2)CCC1)c1ccc(C#N)c(F)c1 ZINC000272060955 263001927 /nfs/dbraw/zinc/00/19/27/263001927.db2.gz OYZABVSKURMKRA-CQSZACIVSA-N 0 3 294.373 4.427 20 30 CIEDHN C[C@@H](NCCCC#N)c1ccc(N2CCCCCC2)cc1 ZINC000273301707 263014959 /nfs/dbraw/zinc/01/49/59/263014959.db2.gz UVDZTZWDXSCILK-MRXNPFEDSA-N 0 3 285.435 4.021 20 30 CIEDHN CC[C@H](CC#N)N[C@H]1CC=C(c2ccc(F)cc2)CC1 ZINC000273834541 263019882 /nfs/dbraw/zinc/01/98/82/263019882.db2.gz GQBWTMNTUKLBBK-SJORKVTESA-N 0 3 272.367 4.043 20 30 CIEDHN COc1ccc2oc([C@H](C)N[C@H]3CC[C@H](C#N)C3)c(C)c2c1 ZINC000274603124 263027422 /nfs/dbraw/zinc/02/74/22/263027422.db2.gz IHLFRACDXXCYNJ-IHRRRGAJSA-N 0 3 298.386 4.093 20 30 CIEDHN CC[C@H](N[C@H]1CC[C@H](C#N)C1)c1cccc(Cl)c1 ZINC000274633973 263028286 /nfs/dbraw/zinc/02/82/86/263028286.db2.gz PMBSZWSCXSJNIW-CQDKDKBSSA-N 0 3 262.784 4.073 20 30 CIEDHN CC(C)[C@@H]1C[C@H](N[C@H](CCC#N)c2ccccc2)CS1 ZINC000277262164 263040496 /nfs/dbraw/zinc/04/04/96/263040496.db2.gz PBDBGWVXYPUFPI-BBWFWOEESA-N 0 3 288.460 4.151 20 30 CIEDHN CC[N@H+](CCCCC(C)(C)C#N)[C@H](C)c1cccc([O-])c1 ZINC000277649125 263042631 /nfs/dbraw/zinc/04/26/31/263042631.db2.gz 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/nfs/dbraw/zinc/07/88/51/263078851.db2.gz PMOPNWLPUBHAPX-HZSPNIEDSA-N 0 3 274.433 4.141 20 30 CIEDHN CC[C@H](CC#N)NC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000289485578 263110425 /nfs/dbraw/zinc/11/04/25/263110425.db2.gz BEGMPFXZTBKITB-SMDDNHRTSA-N 0 3 284.325 4.091 20 30 CIEDHN C[C@H](N[C@H](CCCC#N)c1ccccc1)c1cccnc1 ZINC000340451046 263155671 /nfs/dbraw/zinc/15/56/71/263155671.db2.gz ZJNGBFLFDPGVEK-MAUKXSAKSA-N 0 3 279.387 4.167 20 30 CIEDHN C[C@H](CCC#N)N[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000298459579 263220026 /nfs/dbraw/zinc/22/00/26/263220026.db2.gz IBPWIXUEEQZSKP-MNOVXSKESA-N 0 3 270.298 4.048 20 30 CIEDHN C[C@@H](N[C@@H](C)CCC#N)c1ccc(Oc2cccnc2)cc1 ZINC000298650831 263223400 /nfs/dbraw/zinc/22/34/00/263223400.db2.gz XLBYCFIGZMTECR-LSDHHAIUSA-N 0 3 295.386 4.217 20 30 CIEDHN C=CC(C)(C)CN[C@@H](C)c1nc2ccc(Cl)cc2n1C ZINC000453303763 263225122 /nfs/dbraw/zinc/22/51/22/263225122.db2.gz DASUVVFZSIFLBE-NSHDSACASA-N 0 3 291.826 4.090 20 30 CIEDHN CC[C@H](N[C@@H](C)CCC#N)c1ccc(Cl)s1 ZINC000299008356 263228934 /nfs/dbraw/zinc/22/89/34/263228934.db2.gz QSPMUFKMCPEYKL-UWVGGRQHSA-N 0 3 256.802 4.134 20 30 CIEDHN C[C@H](c1cccc(C(F)(F)F)c1)N(C)CCCC#N ZINC000299340042 263240302 /nfs/dbraw/zinc/24/03/02/263240302.db2.gz DTQJNELBLVBHRT-LLVKDONJSA-N 0 3 270.298 4.002 20 30 CIEDHN CC[C@@H](N[C@H](C)CCC#N)c1ccc(Cl)cc1 ZINC000299690035 263252398 /nfs/dbraw/zinc/25/23/98/263252398.db2.gz NUFOYGWNCJXOOK-BXUZGUMPSA-N 0 3 250.773 4.073 20 30 CIEDHN CC[C@@H](N[C@@H](C)CCC#N)c1ccccc1OC(F)F ZINC000299733118 263253877 /nfs/dbraw/zinc/25/38/77/263253877.db2.gz YGPVXPBOYKAPSW-WCQYABFASA-N 0 3 282.334 4.021 20 30 CIEDHN N#CCCCN[C@@H](c1cccc(C(F)(F)F)c1)C1CCC1 ZINC000342047399 263383187 /nfs/dbraw/zinc/38/31/87/263383187.db2.gz LRGHXCWNLBWSCO-OAHLLOKOSA-N 0 3 296.336 4.440 20 30 CIEDHN C[C@H](NCc1cc(C#N)n(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000189581593 264309897 /nfs/dbraw/zinc/30/98/97/264309897.db2.gz CPLCEZNIUKTCJV-AWEZNQCLSA-N 0 3 295.430 4.045 20 30 CIEDHN C[C@@H](NCc1cc(C#N)n(C)c1)c1ccc(C(C)(C)C)cc1 ZINC000189581619 264310491 /nfs/dbraw/zinc/31/04/91/264310491.db2.gz CPLCEZNIUKTCJV-CQSZACIVSA-N 0 3 295.430 4.045 20 30 CIEDHN C[C@@H](c1ccccc1)N(CC1(C#N)CC1)C1CCCC1 ZINC000425460601 264333153 /nfs/dbraw/zinc/33/31/53/264333153.db2.gz SEZFXSQZYXBRPA-HNNXBMFYSA-N 0 3 268.404 4.296 20 30 CIEDHN C#CC[C@H](N[C@@H]1CCCc2ccc(O)cc21)c1ccccc1 ZINC000285134596 264554557 /nfs/dbraw/zinc/55/45/57/264554557.db2.gz LOTORQUGXRPMPX-VQTJNVASSA-N 0 3 291.394 4.124 20 30 CIEDHN C=CCC[C@H](NC[C@@H](C)c1nccs1)c1ccco1 ZINC000286137685 264576177 /nfs/dbraw/zinc/57/61/77/264576177.db2.gz OGZVNHFRBKOHIG-OLZOCXBDSA-N 0 3 276.405 4.137 20 30 CIEDHN Cc1[nH]c2ccc(CNCc3cc(C#N)cs3)cc2c1C ZINC000343849688 265049378 /nfs/dbraw/zinc/04/93/78/265049378.db2.gz JHBJBFUVYVEFTD-UHFFFAOYSA-N 0 3 295.411 4.008 20 30 CIEDHN N#CCCCCN1CCCC[C@H]1c1nc2ccccc2o1 ZINC000362823325 267051134 /nfs/dbraw/zinc/05/11/34/267051134.db2.gz QJBCMUDJAWAACT-HNNXBMFYSA-N 0 3 283.375 4.049 20 30 CIEDHN Cc1cc(CN2CCC[C@H]2c2ccsc2)ccc1C#N ZINC000362965664 267068278 /nfs/dbraw/zinc/06/82/78/267068278.db2.gz CXBGGEDAJSQFCY-KRWDZBQOSA-N 0 3 282.412 4.265 20 30 CIEDHN C=C[C@@H](C)N[C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000119337179 267322461 /nfs/dbraw/zinc/32/24/61/267322461.db2.gz UYSPNIOWYKRTGE-NXEZZACHSA-N 0 3 278.446 4.405 20 30 CIEDHN CC[C@H](CC#N)N[C@@H](C)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000370490397 267322585 /nfs/dbraw/zinc/32/25/85/267322585.db2.gz HGPPBACTEVBMRG-WHOHXGKFSA-N 0 3 282.840 4.175 20 30 CIEDHN Cc1cccc(CN[C@@H]2CCCc3cc(C#N)ccc32)c1C ZINC000418142070 267363934 /nfs/dbraw/zinc/36/39/34/267363934.db2.gz GUZCRNCORAXRDC-HXUWFJFHSA-N 0 3 290.410 4.342 20 30 CIEDHN Cc1csc(C(C#N)C(=O)c2ccc(C3CCC3)cc2)n1 ZINC000192187754 335091124 /nfs/dbraw/zinc/09/11/24/335091124.db2.gz JRGOLVZOHFPVGH-OAHLLOKOSA-N 0 3 296.395 4.209 20 30 CIEDHN C=CC[C@H](CO)N[C@H](C)c1cc2c(ccc3ccccc23)o1 ZINC000186711461 327701064 /nfs/dbraw/zinc/70/10/64/327701064.db2.gz SVHBHMRKZYOSHQ-UKRRQHHQSA-N 0 3 295.382 4.174 20 30 CIEDHN C[C@@H](N[C@@H]1CCC[C@H](C#N)C1)c1cc2ccccc2o1 ZINC000185764161 327844904 /nfs/dbraw/zinc/84/49/04/327844904.db2.gz FURKBIWPTRZGTA-VNHYZAJKSA-N 0 3 268.360 4.166 20 30 CIEDHN C=CCCN[C@H](CC(F)(F)F)c1ccccc1C ZINC000338543774 327983664 /nfs/dbraw/zinc/98/36/64/327983664.db2.gz SAJYMCBMCCAILQ-CYBMUJFWSA-N 0 3 257.299 4.154 20 30 CIEDHN C=C(CNCc1ccccc1Cl)c1ccccc1 ZINC000110057634 328031283 /nfs/dbraw/zinc/03/12/83/328031283.db2.gz ZQKYEIJTJYLNKD-UHFFFAOYSA-N 0 3 257.764 4.143 20 30 CIEDHN C[C@@H]1C[C@@H](NCc2ccc(CC#N)cc2)c2ccccc21 ZINC000571641841 328167352 /nfs/dbraw/zinc/16/73/52/328167352.db2.gz RZSXDMCVXDLUEC-AUUYWEPGSA-N 0 3 276.383 4.091 20 30 CIEDHN Cc1ccc([C@H](C)NC2(c3cccc(C#N)c3)CC2)cc1 ZINC000272285214 328199751 /nfs/dbraw/zinc/19/97/51/328199751.db2.gz PFFMTHRMEKOLMO-HNNXBMFYSA-N 0 3 276.383 4.207 20 30 CIEDHN CCc1nc([C@@H](C)NCCCCC(C)(C)C#N)cs1 ZINC000278634556 328228960 /nfs/dbraw/zinc/22/89/60/328228960.db2.gz GOPXMVOMJQJBCA-GFCCVEGCSA-N 0 3 279.453 4.076 20 30 CIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1coc3ccccc13)CC2 ZINC000340426115 328275913 /nfs/dbraw/zinc/27/59/13/328275913.db2.gz LKZHPBHIDINUML-SFHVURJKSA-N 0 3 288.350 4.082 20 30 CIEDHN C=C(C)COCCN[C@H](C)c1ccccc1SCC ZINC000537962355 328324600 /nfs/dbraw/zinc/32/46/00/328324600.db2.gz WCDGTVZZDQPXQQ-CQSZACIVSA-N 0 3 279.449 4.042 20 30 CIEDHN C=C(C)CN(CCCO)C(c1ccccc1)c1ccccc1 ZINC000111218658 328331152 /nfs/dbraw/zinc/33/11/52/328331152.db2.gz DDMCGAWWSPDBOY-UHFFFAOYSA-N 0 3 295.426 4.037 20 30 CIEDHN C=CC[C@H](C)[C@@H](C)N[C@@H](COCC(C)C)c1ccco1 ZINC000531961426 328337184 /nfs/dbraw/zinc/33/71/84/328337184.db2.gz KRUBRRPSMRAURT-XHSDSOJGSA-N 0 3 279.424 4.184 20 30 CIEDHN C=CCN(Cc1ccccc1)Cc1ccnc2ccccc12 ZINC000535078265 328383691 /nfs/dbraw/zinc/38/36/91/328383691.db2.gz PTHQLPBKELPZAH-UHFFFAOYSA-N 0 3 288.394 4.423 20 30 CIEDHN C[C@@H]1CCN(Cc2ccc(C#N)s2)[C@@H]2CCCC[C@@H]12 ZINC000535072813 328384286 /nfs/dbraw/zinc/38/42/86/328384286.db2.gz WIJQSGMEVSMVOS-UHOFOFEASA-N 0 3 274.433 4.020 20 30 CIEDHN C[C@@H](N[C@H](c1ccccc1)C1CC1)c1cccc(C#N)c1 ZINC000037303875 326844239 /nfs/dbraw/zinc/84/42/39/326844239.db2.gz HEXMYCZLTLVQSR-AUUYWEPGSA-N 0 3 276.383 4.360 20 30 CIEDHN N#Cc1cccc(CNCc2cccc3ccccc32)c1 ZINC000037501719 326854501 /nfs/dbraw/zinc/85/45/01/326854501.db2.gz WTYABVYFSUIRGD-UHFFFAOYSA-N 0 3 272.351 4.001 20 30 CIEDHN Cc1ccc([C@@H](C)NCc2ccc(C#N)s2)cc1C ZINC000557754911 327025092 /nfs/dbraw/zinc/02/50/92/327025092.db2.gz NTIVHLCLDIXDPV-CYBMUJFWSA-N 0 3 270.401 4.087 20 30 CIEDHN CC(C)[C@H](c1ccc(F)cc1)N(C)CCC(C)(C)C#N ZINC000558107447 327074253 /nfs/dbraw/zinc/07/42/53/327074253.db2.gz PCBKLXJJNIMQKN-MRXNPFEDSA-N 0 3 276.399 4.394 20 30 CIEDHN N#CCCC1CCN(Cc2cccc(C3CC3)c2)CC1 ZINC000573251042 327129799 /nfs/dbraw/zinc/12/97/99/327129799.db2.gz SEZAUOYNAURUHC-UHFFFAOYSA-N 0 3 268.404 4.080 20 30 CIEDHN Cc1cc(CN[C@H]2CCc3ccc(C#N)cc32)ccc1Cl ZINC000573371293 327138851 /nfs/dbraw/zinc/13/88/51/327138851.db2.gz UBSZMOOASMAYLZ-SFHVURJKSA-N 0 3 296.801 4.297 20 30 CIEDHN CC[C@H](CC#N)N[C@@H](C)CCc1ccc(C(F)(F)F)cc1 ZINC000559055015 327139171 /nfs/dbraw/zinc/13/91/71/327139171.db2.gz VZEOWDIYZQAHKG-SWLSCSKDSA-N 0 3 298.352 4.308 20 30 CIEDHN CCOc1cccc2cc([C@H](C)N[C@H]3CC[C@H](C#N)C3)oc21 ZINC000559150652 327143815 /nfs/dbraw/zinc/14/38/15/327143815.db2.gz YRFSBNUJQSFFRX-YDHLFZDLSA-N 0 3 298.386 4.174 20 30 CIEDHN C=C[C@H]1CCCCN1Cc1ccc(C(C)C)nc1C ZINC000559187691 327145388 /nfs/dbraw/zinc/14/53/88/327145388.db2.gz UIVSKEOETJEBNI-INIZCTEOSA-N 0 3 258.409 4.054 20 30 CIEDHN C=C(C)CN(Cc1ccc(CO)o1)[C@H]1C=CCCCCC1 ZINC000559244809 327149504 /nfs/dbraw/zinc/14/95/04/327149504.db2.gz YFJSQLHJRBRATQ-INIZCTEOSA-N 0 3 289.419 4.039 20 30 CIEDHN N#Cc1csc(CN(C2CC2)[C@@H]2CCc3ccccc32)c1 ZINC000092221737 327190458 /nfs/dbraw/zinc/19/04/58/327190458.db2.gz FVCLENJKVFTNRT-GOSISDBHSA-N 0 3 294.423 4.272 20 30 CIEDHN CC(C)(C#N)CCN1CCC[C@@H]1Cc1ccccc1Cl ZINC000536473117 327240753 /nfs/dbraw/zinc/24/07/53/327240753.db2.gz XVFQQRMACCDIIV-OAHLLOKOSA-N 0 3 290.838 4.287 20 30 CIEDHN N#CC1(CN[C@H]2CC=C(c3ccc(Cl)cc3)CC2)CC1 ZINC000560145923 327287054 /nfs/dbraw/zinc/28/70/54/327287054.db2.gz CIAQRYSNNWPWJJ-INIZCTEOSA-N 0 3 286.806 4.169 20 30 CIEDHN C=CCN(Cc1cccs1)CC(C)(C)CCC#N ZINC000119949640 327296316 /nfs/dbraw/zinc/29/63/16/327296316.db2.gz UQBYSJDEHNCMHE-UHFFFAOYSA-N 0 3 262.422 4.066 20 30 CIEDHN C=CCC[C@H](NCC1(SC)CCC1)c1ccco1 ZINC000560536518 327321157 /nfs/dbraw/zinc/32/11/57/327321157.db2.gz HWIUTONAPPSRFG-ZDUSSCGKSA-N 0 3 265.422 4.162 20 30 CIEDHN C=CCC[C@H](NC[C@H](C)Oc1ccccc1)c1ccco1 ZINC000560546696 327322640 /nfs/dbraw/zinc/32/26/40/327322640.db2.gz WAYKJEJLTWWAJX-RDJZCZTQSA-N 0 3 285.387 4.344 20 30 CIEDHN C=C(C)CCN[C@H](C)c1ccc(Br)cc1F ZINC000381431300 327531198 /nfs/dbraw/zinc/53/11/98/327531198.db2.gz BPCRQRXVUDVMCU-SNVBAGLBSA-N 0 3 286.188 4.205 20 30 CIEDHN Cc1ccc2c(c1)[C@H](N[C@@H](C)c1ccc(C#N)cc1)[C@@H](C)C2 ZINC000182690611 328822363 /nfs/dbraw/zinc/82/23/63/328822363.db2.gz OZFFGGBSLIQMRT-AUSJPIAWSA-N 0 3 290.410 4.451 20 30 CIEDHN 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/nfs/dbraw/zinc/29/48/43/334294843.db2.gz PNNIHBLFNGKUSI-UHFFFAOYSA-N 0 3 278.399 4.279 20 30 CIEDHN C=CCC[C@H](NCCOCc1ccccc1)c1ccco1 ZINC000552249861 334308441 /nfs/dbraw/zinc/30/84/41/334308441.db2.gz NCCYMDLLCRGYHI-KRWDZBQOSA-N 0 3 285.387 4.093 20 30 CIEDHN C=CCC[C@@H](NC[C@H]1CCCCS1)c1ccco1 ZINC000552281783 334312428 /nfs/dbraw/zinc/31/24/28/334312428.db2.gz JQNJYXBJKJROCK-ZIAGYGMSSA-N 0 3 265.422 4.162 20 30 CIEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(OC(F)F)cc1 ZINC000248707581 334314190 /nfs/dbraw/zinc/31/41/90/334314190.db2.gz AYZMJYJISRCKKB-SCRDCRAPSA-N 0 3 294.345 4.021 20 30 CIEDHN N#C[C@@H]1CCC[C@H](N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000249053720 334326009 /nfs/dbraw/zinc/32/60/09/334326009.db2.gz YBXFQYCPZGEAJS-OSAQELSMSA-N 0 3 290.407 4.035 20 30 CIEDHN N#Cc1ccc2c(c1)CCC[C@H]2NC/C=C/c1ccccc1 ZINC000552956874 334352833 /nfs/dbraw/zinc/35/28/33/334352833.db2.gz VTSXJILSPUBHOG-MUPIXQSSSA-N 0 3 288.394 4.239 20 30 CIEDHN C[C@@H](NCc1cccc(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000553767016 334398263 /nfs/dbraw/zinc/39/82/63/334398263.db2.gz ZUWROKVNRTTYOH-LLVKDONJSA-N 0 3 288.753 4.202 20 30 CIEDHN C=C(C)[C@H](N[C@H]1CC[C@H]1C1CC1)c1ccc(F)c(F)c1 ZINC000554095806 334412152 /nfs/dbraw/zinc/41/21/52/334412152.db2.gz HDNPTUKDBNLLKN-JQFCIGGWSA-N 0 3 277.358 4.360 20 30 CIEDHN N#C[C@@H]1CC[C@H](N[C@H](Cc2ccccc2)c2cccs2)C1 ZINC000555422870 334478392 /nfs/dbraw/zinc/47/83/92/334478392.db2.gz LEPQANAGIRGRHP-IXDOHACOSA-N 0 3 296.439 4.314 20 30 CIEDHN CCc1ccc([C@@H]2CCCN(Cc3ccc(C#N)o3)C2)cc1 ZINC000576502979 335212194 /nfs/dbraw/zinc/21/21/94/335212194.db2.gz BIZRZUBRJUYSOZ-QGZVFWFLSA-N 0 3 294.398 4.093 20 30 CIEDHN CN(Cc1ccc(C#N)c(F)c1)[C@H]1CCCc2ccccc21 ZINC000577255655 335330456 /nfs/dbraw/zinc/33/04/56/335330456.db2.gz CWCZQVQZDUTGFV-IBGZPJMESA-N 0 3 294.373 4.207 20 30 CIEDHN Cc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)cc1C ZINC000577438340 335352277 /nfs/dbraw/zinc/35/22/77/335352277.db2.gz JPFHYRRETJHKKL-MRXNPFEDSA-N 0 3 278.399 4.220 20 30 CIEDHN N#Cc1csc(CN[C@H]2CCc3cc(Cl)ccc32)c1 ZINC000177692069 335379104 /nfs/dbraw/zinc/37/91/04/335379104.db2.gz GVSQTMIARKQLNX-HNNXBMFYSA-N 0 3 288.803 4.050 20 30 CIEDHN Cc1cc(C)cc([C@@H](C)NCc2cc(C#N)cs2)c1 ZINC000177698098 335379689 /nfs/dbraw/zinc/37/96/89/335379689.db2.gz DREVWYUYGHLJSR-CYBMUJFWSA-N 0 3 270.401 4.087 20 30 CIEDHN CC[C@@H](c1ccc(F)cc1F)N1CCC(CCC#N)CC1 ZINC000578130221 335510857 /nfs/dbraw/zinc/51/08/57/335510857.db2.gz XTMHFQMWFWGTQX-KRWDZBQOSA-N 0 3 292.373 4.432 20 30 CIEDHN N#CCCCCN[C@@H](CC(F)(F)F)c1ccc(F)cc1 ZINC000180565183 335608230 /nfs/dbraw/zinc/60/82/30/335608230.db2.gz ZUMVMEDWPFCJLM-ZDUSSCGKSA-N 0 3 288.288 4.103 20 30 CIEDHN C=C(C)CCN[C@H](CC(F)(F)F)c1ccccc1 ZINC000351751980 335620704 /nfs/dbraw/zinc/62/07/04/335620704.db2.gz BGDDBHKQDFRBPU-CYBMUJFWSA-N 0 3 257.299 4.236 20 30 CIEDHN CSc1cc(C)ccc1CN[C@@H](C)c1cccc(C#N)c1 ZINC000181889457 335789810 /nfs/dbraw/zinc/78/98/10/335789810.db2.gz VNRBTLJXWCAUIA-AWEZNQCLSA-N 0 3 296.439 4.439 20 30 CIEDHN CC(C)(C)CN(Cc1ccccc1)Cc1ccc(C#N)cn1 ZINC000581258751 336033432 /nfs/dbraw/zinc/03/34/32/336033432.db2.gz KSTRLLZSZCNGNQ-UHFFFAOYSA-N 0 3 293.414 4.002 20 30 CIEDHN CCc1ccc([C@@H](C)NCc2ccc(CC#N)cc2)s1 ZINC000581607404 336111564 /nfs/dbraw/zinc/11/15/64/336111564.db2.gz AITXLUSOLZHHTA-CYBMUJFWSA-N 0 3 284.428 4.227 20 30 CIEDHN CC[C@H](CC#N)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000383530512 336112427 /nfs/dbraw/zinc/11/24/27/336112427.db2.gz AUOWQBLGNMVVIF-VDHUWJSZSA-N 0 3 270.420 4.241 20 30 CIEDHN CCCN(Cc1ccccc1)Cc1ccc(F)c(C#N)c1 ZINC000384347198 336123961 /nfs/dbraw/zinc/12/39/61/336123961.db2.gz ARGWIDBUNAMISH-UHFFFAOYSA-N 0 3 282.362 4.110 20 30 CIEDHN CCOc1ccc([C@@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000078973576 521225887 /nfs/dbraw/zinc/22/58/87/521225887.db2.gz DDVFAWJCULXXJF-LSDHHAIUSA-N 0 3 294.398 4.369 20 30 CIEDHN CC[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccccc1 ZINC000036991915 522695895 /nfs/dbraw/zinc/69/58/95/522695895.db2.gz ONIHEVMWCFKMER-KSSFIOAISA-N 0 3 264.372 4.360 20 30 CIEDHN CC[C@H](N[C@@H](C)c1ccc(OC)cc1)c1ccc(C#N)cc1 ZINC000278675472 522696158 /nfs/dbraw/zinc/69/61/58/522696158.db2.gz JMAFTKQWSCEHRM-LIRRHRJNSA-N 0 3 294.398 4.369 20 30 CIEDHN CC[C@H](N[C@@H]1CCCc2occc21)c1ccc(C#N)cc1 ZINC000278183439 522718187 /nfs/dbraw/zinc/71/81/87/522718187.db2.gz DQQJZCQKLRFCEM-DLBZAZTESA-N 0 3 280.371 4.270 20 30 CIEDHN CC[C@@H](N[C@@H](C)c1ccccc1)c1ccc(C#N)cc1 ZINC000278206868 522914919 /nfs/dbraw/zinc/91/49/19/522914919.db2.gz HHXTYRJJSDSKKP-KBXCAEBGSA-N 0 3 264.372 4.360 20 30 CIEDHN CC[C@@H](N[C@H]1CCCc2occc21)c1ccc(C#N)cc1 ZINC000278183446 522948962 /nfs/dbraw/zinc/94/89/62/522948962.db2.gz DQQJZCQKLRFCEM-SJORKVTESA-N 0 3 280.371 4.270 20 30 CIEDHN Cc1ccccc1[C@@H](C)N[C@H](C)c1cccc(C#N)c1 ZINC000037228514 525361032 /nfs/dbraw/zinc/36/10/32/525361032.db2.gz PWAIDDZCTMHIBN-HUUCEWRRSA-N 0 3 264.372 4.279 20 30 CIEDHN C[C@H](N[C@@H]1CCCc2sccc21)c1cccc(C#N)c1 ZINC000061360181 525564705 /nfs/dbraw/zinc/56/47/05/525564705.db2.gz PXPMVNJVRGIKBH-BLLLJJGKSA-N 0 3 282.412 4.348 20 30 CIEDHN C[C@H](N[C@@H]1CCSc2ccccc21)c1ccc(C#N)cc1 ZINC000036991844 525579909 /nfs/dbraw/zinc/57/99/09/525579909.db2.gz GROWFDUQKVVHLG-SUMWQHHRSA-N 0 3 294.423 4.446 20 30 CIEDHN C[C@H](N[C@@H]1CCc2ccccc21)c1ccc(C#N)c(F)c1 ZINC000271957245 525582326 /nfs/dbraw/zinc/58/23/26/525582326.db2.gz SKEIFYBSUGBBBL-KPZWWZAWSA-N 0 3 280.346 4.035 20 30 CIEDHN Cc1ccsc1[C@@H](C)N[C@H](C)c1ccc(C#N)cc1 ZINC000070090730 525870496 /nfs/dbraw/zinc/87/04/96/525870496.db2.gz LMMJQPDYMOOTFD-CHWSQXEVSA-N 0 3 270.401 4.340 20 30 CIEDHN Cc1ccc2c(c1)[C@H](N[C@H](C)c1ccc(C#N)cc1)CC2 ZINC000097988418 526212229 /nfs/dbraw/zinc/21/22/29/526212229.db2.gz PALZNZOUGJZRKP-AUUYWEPGSA-N 0 3 276.383 4.205 20 30 CIEDHN C=C(CN[C@@H]1CCCc2nc(C)sc21)c1ccccc1 ZINC000346779127 526883240 /nfs/dbraw/zinc/88/32/40/526883240.db2.gz MSGOLQPBRLQBFY-OAHLLOKOSA-N 0 3 284.428 4.132 20 30 CIEDHN C=CCC[C@H](NCCCc1cccc(C)n1)c1ccco1 ZINC000353885192 527484167 /nfs/dbraw/zinc/48/41/67/527484167.db2.gz ZOCMLVWRNPRMFP-KRWDZBQOSA-N 0 3 284.403 4.213 20 30 CIEDHN C=C[C@H](CO)N[C@@H](CC)c1ccc(Oc2ccccc2)cc1 ZINC000353568213 527595225 /nfs/dbraw/zinc/59/52/25/527595225.db2.gz PGQLAGCXEOIXEI-APWZRJJASA-N 0 3 297.398 4.067 20 30 CIEDHN CCC[C@H](NC(=O)C(C)C#N)c1ccc(Cl)c(Cl)c1 ZINC000347029252 528198570 /nfs/dbraw/zinc/19/85/70/528198570.db2.gz AJTOFHMSCNJGPN-RNCFNFMXSA-N 0 3 299.201 4.110 20 30 CIEDHN CCC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccccc1 ZINC000353622209 528226423 /nfs/dbraw/zinc/22/64/23/528226423.db2.gz MCJKFOHEHOOVMJ-SFHVURJKSA-N 0 3 294.398 4.198 20 30 CIEDHN CCc1ccc(CN(CC)[C@H](C)c2ccc(C#N)cc2)cn1 ZINC000347608806 529637341 /nfs/dbraw/zinc/63/73/41/529637341.db2.gz JZRVPVVCEZYEJX-OAHLLOKOSA-N 0 3 293.414 4.099 20 30 CIEDHN CCc1ccc(CN(CC)[C@@H](C)c2ccc(C#N)cc2)cn1 ZINC000347608797 529637355 /nfs/dbraw/zinc/63/73/55/529637355.db2.gz JZRVPVVCEZYEJX-HNNXBMFYSA-N 0 3 293.414 4.099 20 30 CIEDHN CC[C@H](N[C@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000353397233 529672735 /nfs/dbraw/zinc/67/27/35/529672735.db2.gz IOENHGQVCKSCMN-OALUTQOASA-N 0 3 276.383 4.286 20 30 CIEDHN C[C@H](N[C@@H](C)c1ccc(C#N)cc1)c1cccs1 ZINC000020148256 171035720 /nfs/dbraw/zinc/03/57/20/171035720.db2.gz LGCNLTREJSCQLD-RYUDHWBXSA-N 0 3 256.374 4.032 20 30 CIEDHN N#CCCC[C@H](NCc1ccccc1)c1ccccc1 ZINC000353912185 226382362 /nfs/dbraw/zinc/38/23/62/226382362.db2.gz DVEGRZZIWGNDBO-SFHVURJKSA-N 0 3 264.372 4.211 20 30 CIEDHN N#C[C@@H]1CCC[C@H](NC2(c3ccc(F)cc3F)CCC2)C1 ZINC000193105355 228000722 /nfs/dbraw/zinc/00/07/22/228000722.db2.gz PIAFIFKBOKLIRI-OCCSQVGLSA-N 0 3 290.357 4.016 20 30 CIEDHN N#CCCCN1CCC(c2ccccc2C(F)(F)F)CC1 ZINC000353566289 228122396 /nfs/dbraw/zinc/12/23/96/228122396.db2.gz AWFDFTLLNRDIRE-UHFFFAOYSA-N 0 3 296.336 4.189 20 30 CIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H]1CCCc3ccccc31)CC2 ZINC000353320556 228085317 /nfs/dbraw/zinc/08/53/17/228085317.db2.gz BGZUFVCVZKBIHY-WOJBJXKFSA-N 0 3 288.394 4.213 20 30 CIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1ccc(C3CC3)cc1)CC2 ZINC000353597990 228127902 /nfs/dbraw/zinc/12/79/02/228127902.db2.gz RJZQZDQRFJLXAL-FQEVSTJZSA-N 0 3 288.394 4.213 20 30 CIEDHN N#Cc1ccc2c(c1)[C@@H](N[C@H]1CCCc3sccc31)CC2 ZINC000353640352 228136606 /nfs/dbraw/zinc/13/66/06/228136606.db2.gz ULLBALBECFLWGY-IRXDYDNUSA-N 0 3 294.423 4.274 20 30 CIEDHN CC(C)CC[C@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000512621244 260023416 /nfs/dbraw/zinc/02/34/16/260023416.db2.gz VSUHJZMIPYHMNW-QWHCGFSZSA-N 0 3 262.372 4.173 20 30 CIEDHN CC(C)(C)[C@@H](NCc1ccc(C#N)cc1)c1ccccc1 ZINC000036994626 260061113 /nfs/dbraw/zinc/06/11/13/260061113.db2.gz WMJSCKMKLCDGGT-SFHVURJKSA-N 0 3 278.399 4.435 20 30 CIEDHN COc1cc([C@H](C)N[C@H](C)c2ccc(C#N)cc2)ccc1F ZINC000317219300 260133282 /nfs/dbraw/zinc/13/32/82/260133282.db2.gz HINWMLCSRUUOKA-OLZOCXBDSA-N 0 3 298.361 4.118 20 30 CIEDHN Cc1nc(C)c([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)s1 ZINC000040517591 260289122 /nfs/dbraw/zinc/28/91/22/260289122.db2.gz UEVUNMGRYKMNDD-QWRGUYRKSA-N 0 3 285.416 4.043 20 30 CIEDHN Cc1csc(C2(NCCCC(C)(C)C#N)CCCC2)n1 ZINC000083215780 260346826 /nfs/dbraw/zinc/34/68/26/260346826.db2.gz PXOHICCBLRFKKW-UHFFFAOYSA-N 0 3 291.464 4.140 20 30 CIEDHN C=CCOc1cccc(CNCc2c(C)cc(C)cc2C)c1 ZINC000518273920 260366303 /nfs/dbraw/zinc/36/63/03/260366303.db2.gz OISJBEMYOKFHDY-UHFFFAOYSA-N 0 3 295.426 4.466 20 30 CIEDHN C=CCC[C@H](O)CN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444807434 261182633 /nfs/dbraw/zinc/18/26/33/261182633.db2.gz WQXWOGTVTMJSHZ-DLBZAZTESA-N 0 3 293.838 4.194 20 30 CIEDHN CCCOc1ccc(CN[C@H](C)c2cccc(C#N)c2)cc1 ZINC000174430078 261571801 /nfs/dbraw/zinc/57/18/01/261571801.db2.gz NIOGXBKGNMVQHD-OAHLLOKOSA-N 0 3 294.398 4.198 20 30 CIEDHN Cc1nc(-c2ccc(C)cc2)sc1[C@@H](C)NCCCC#N ZINC000184087380 262008032 /nfs/dbraw/zinc/00/80/32/262008032.db2.gz QRQGJKUIUJAPLD-CYBMUJFWSA-N 0 3 299.443 4.381 20 30 CIEDHN Cc1nc(-c2ccccc2)sc1[C@@H](C)NCCCC#N ZINC000184088504 262008106 /nfs/dbraw/zinc/00/81/06/262008106.db2.gz YLUPZOXRGOCILO-GFCCVEGCSA-N 0 3 285.416 4.073 20 30 CIEDHN CC(C)c1ccc([C@@H]2CCCCN2C(=O)C(C)C#N)cc1 ZINC000497474993 262166546 /nfs/dbraw/zinc/16/65/46/262166546.db2.gz WACGPCYHVKKFNZ-YOEHRIQHSA-N 0 3 284.403 4.023 20 30 CIEDHN CC(C)c1ccc([C@H]2CCCCN2C(=O)C(C)C#N)cc1 ZINC000497474988 262167321 /nfs/dbraw/zinc/16/73/21/262167321.db2.gz WACGPCYHVKKFNZ-RHSMWYFYSA-N 0 3 284.403 4.023 20 30 CIEDHN C[C@@H](N[C@H]1CCC[C@@H](C#N)C1)c1cc2ccccc2o1 ZINC000193333339 262220835 /nfs/dbraw/zinc/22/08/35/262220835.db2.gz FURKBIWPTRZGTA-NFAWXSAZSA-N 0 3 268.360 4.166 20 30 CIEDHN C=CCOc1ccc(CN[C@H](C)c2cccs2)cc1 ZINC000020148580 262232650 /nfs/dbraw/zinc/23/26/50/262232650.db2.gz WNBKLGQALVQGOT-CYBMUJFWSA-N 0 3 273.401 4.164 20 30 CIEDHN C=CC1CCN(Cc2ccccc2OCC(F)(F)F)CC1 ZINC000525785077 262234630 /nfs/dbraw/zinc/23/46/30/262234630.db2.gz DUAOORVGQBGRFX-UHFFFAOYSA-N 0 3 299.336 4.026 20 30 CIEDHN CC[C@H](CC#N)N[C@@H](C)CC(C)(C)c1ccccc1 ZINC000054183662 262259722 /nfs/dbraw/zinc/25/97/22/262259722.db2.gz FJLPNDPEZDPFBJ-GOEBONIOSA-N 0 3 258.409 4.025 20 30 CIEDHN C=CCSCCN[C@@H](C)c1ccc(F)c(Cl)c1 ZINC000221938422 262332334 /nfs/dbraw/zinc/33/23/34/262332334.db2.gz UFEPOKRVWIWGJZ-JTQLQIEISA-N 0 3 273.804 4.049 20 30 CIEDHN C=CCSCCN[C@H](C)c1ccccc1C(F)(F)F ZINC000221939556 262332673 /nfs/dbraw/zinc/33/26/73/262332673.db2.gz CALJDADQRUTWKG-LLVKDONJSA-N 0 3 289.366 4.275 20 30 CIEDHN C=CCOc1ccc(CN[C@H]2CCCc3sccc32)cc1 ZINC000061359934 262394980 /nfs/dbraw/zinc/39/49/80/262394980.db2.gz ZNLCZMHIXZRLAI-KRWDZBQOSA-N 0 3 299.439 4.480 20 30 CIEDHN CC[C@@H](NCC(C)(C)CC#N)c1cc(Cl)ccc1OC ZINC000414167568 262820285 /nfs/dbraw/zinc/82/02/85/262820285.db2.gz PMEIPWGRTWAVHY-CQSZACIVSA-N 0 3 294.826 4.329 20 30 CIEDHN Cc1occc1CN[C@@H](CCCC#N)c1ccccc1 ZINC000414451844 262928042 /nfs/dbraw/zinc/92/80/42/262928042.db2.gz KWKZUHFGMRZHDQ-KRWDZBQOSA-N 0 3 268.360 4.113 20 30 CIEDHN CC(C)Oc1ccc([C@H](C)NCCC(C)(C)C#N)cc1 ZINC000271992998 263000794 /nfs/dbraw/zinc/00/07/94/263000794.db2.gz FHKIHUQECJKRQS-AWEZNQCLSA-N 0 3 274.408 4.064 20 30 CIEDHN C[C@H](CCSc1ccccc1)N1CCC(C)(C#N)CC1 ZINC000272587342 263007296 /nfs/dbraw/zinc/00/72/96/263007296.db2.gz PAEAASBMUAWGMJ-OAHLLOKOSA-N 0 3 288.460 4.183 20 30 CIEDHN N#CCCCN[C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000273184749 263013685 /nfs/dbraw/zinc/01/36/85/263013685.db2.gz FQUJFZVVYVOOSB-LBPRGKRZSA-N 0 3 299.201 4.100 20 30 CIEDHN C[C@H](NCCCC#N)c1ccc(N2CCCCCC2)cc1 ZINC000273301705 263014807 /nfs/dbraw/zinc/01/48/07/263014807.db2.gz UVDZTZWDXSCILK-INIZCTEOSA-N 0 3 285.435 4.021 20 30 CIEDHN COc1ccc2oc([C@H](C)N[C@@H]3CC[C@@H](C#N)C3)c(C)c2c1 ZINC000274603122 263027501 /nfs/dbraw/zinc/02/75/01/263027501.db2.gz IHLFRACDXXCYNJ-BFHYXJOUSA-N 0 3 298.386 4.093 20 30 CIEDHN C[C@H](N[C@@H]1CC[C@@H](C#N)C1)c1cccc(C(F)(F)F)c1 ZINC000274657579 263028789 /nfs/dbraw/zinc/02/87/89/263028789.db2.gz UVIMQOBFBDNYFL-MISXGVKJSA-N 0 3 282.309 4.048 20 30 CIEDHN C[C@@H](NCCC(C)(C)C#N)c1ccc(C(F)(F)F)cc1 ZINC000276341076 263036400 /nfs/dbraw/zinc/03/64/00/263036400.db2.gz HARMSOYPHWNSFX-LLVKDONJSA-N 0 3 284.325 4.296 20 30 CIEDHN CN(Cc1csc2ccccc12)[C@@H]1CC[C@@H](C#N)C1 ZINC000278569841 263049147 /nfs/dbraw/zinc/04/91/47/263049147.db2.gz JEFAOESQPYMKKN-TZMCWYRMSA-N 0 3 270.401 4.025 20 30 CIEDHN CC(C)(CCC#N)CNCc1cc(F)c(Cl)cc1F ZINC000278761489 263050811 /nfs/dbraw/zinc/05/08/11/263050811.db2.gz XGQBCFZNNHVPSS-UHFFFAOYSA-N 0 3 286.753 4.038 20 30 CIEDHN CSc1ccccc1[C@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000282355263 263076087 /nfs/dbraw/zinc/07/60/87/263076087.db2.gz PMOPNWLPUBHAPX-MJBXVCDLSA-N 0 3 274.433 4.141 20 30 CIEDHN CC1(C#N)CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000283304561 263082129 /nfs/dbraw/zinc/08/21/29/263082129.db2.gz YRJYHOCGKXYQPW-UHFFFAOYSA-N 0 3 290.410 4.402 20 30 CIEDHN CC(C)Oc1ccc([C@@H](C)NCCCC#N)cc1Cl ZINC000284274587 263086211 /nfs/dbraw/zinc/08/62/11/263086211.db2.gz JNXITBZNVMHRLN-GFCCVEGCSA-N 0 3 280.799 4.082 20 30 CIEDHN Cc1cc(F)ccc1C1CCN([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000293455630 263140702 /nfs/dbraw/zinc/14/07/02/263140702.db2.gz CVZNHCMBGWVCMP-RHSMWYFYSA-N 0 3 286.394 4.006 20 30 CIEDHN Cc1ccnc([C@@H](C)N[C@H](CCCC#N)c2ccccc2)c1 ZINC000340449695 263155545 /nfs/dbraw/zinc/15/55/45/263155545.db2.gz VVHAEABZTFHGDX-SJLPKXTDSA-N 0 3 293.414 4.476 20 30 CIEDHN N#C[C@H]1CC[C@H](N2CCC(c3cccc(Cl)c3)CC2)C1 ZINC000294203273 263157418 /nfs/dbraw/zinc/15/74/18/263157418.db2.gz RNGHZDKPHCGUPO-GUYCJALGSA-N 0 3 288.822 4.212 20 30 CIEDHN N#C[C@@H]1CC[C@@H](N2CC=C(c3cccc(Cl)c3)CC2)C1 ZINC000294255762 263158574 /nfs/dbraw/zinc/15/85/74/263158574.db2.gz UUMMEJPRDSBLSC-CXAGYDPISA-N 0 3 286.806 4.121 20 30 CIEDHN C[C@H](N[C@H]1CC[C@@H](CC#N)C1)c1ccc(F)cc1Cl ZINC000296413702 263191167 /nfs/dbraw/zinc/19/11/67/263191167.db2.gz LAMVKKANWZSDIL-GVXVVHGQSA-N 0 3 280.774 4.212 20 30 CIEDHN C[C@H](CCC#N)N[C@@H](C)c1cc2ccccc2s1 ZINC000298945795 263227833 /nfs/dbraw/zinc/22/78/33/263227833.db2.gz OKAUDGTVVZOWAR-NEPJUHHUSA-N 0 3 258.390 4.244 20 30 CIEDHN C=C(CC)CN[C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000453338032 263241241 /nfs/dbraw/zinc/24/12/41/263241241.db2.gz AXEIDTJJUQVJSL-ZDUSSCGKSA-N 0 3 284.325 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20 30 CIEDHN CC(C)c1ccc(CNCc2cc(C#N)cs2)cc1 ZINC000093492533 265183622 /nfs/dbraw/zinc/18/36/22/265183622.db2.gz OJLBTLSKFQWGPV-UHFFFAOYSA-N 0 3 270.401 4.033 20 30 CIEDHN Cc1ccc([C@H](C)N[C@H](C)c2cccc(C#N)c2)cc1F ZINC000094952265 265277968 /nfs/dbraw/zinc/27/79/68/265277968.db2.gz SVGNKFHJNWOUJQ-KGLIPLIRSA-N 0 3 282.362 4.418 20 30 CIEDHN CCCc1ccc2nccc(N3CCC(CC#N)CC3)c2c1 ZINC000519310528 265390306 /nfs/dbraw/zinc/39/03/06/265390306.db2.gz RBPUPXNAUOGPJF-UHFFFAOYSA-N 0 3 293.414 4.317 20 30 CIEDHN Cc1c2ccccc2oc1[C@@H](C)N[C@H]1CCC[C@@H](C#N)C1 ZINC000193352322 266668004 /nfs/dbraw/zinc/66/80/04/266668004.db2.gz AXCBWUMFDAFDIR-KFWWJZLASA-N 0 3 282.387 4.474 20 30 CIEDHN C=CCC[C@H](CC)N[C@H]1CCOc2c(F)ccc(F)c21 ZINC000361191357 266799455 /nfs/dbraw/zinc/79/94/55/266799455.db2.gz RPWDTYNCLNQQML-FZMZJTMJSA-N 0 3 281.346 4.123 20 30 CIEDHN N#CC1(CN[C@@H]2CC=C(c3ccc(F)cc3)CC2)CCC1 ZINC000418143055 267365531 /nfs/dbraw/zinc/36/55/31/267365531.db2.gz OLGHCECZVOCJEG-QGZVFWFLSA-N 0 3 284.378 4.045 20 30 CIEDHN C=CCC[C@H](CC)NCc1ncoc1-c1ccccc1 ZINC000371279483 267381085 /nfs/dbraw/zinc/38/10/85/267381085.db2.gz IUVPQUQKOAVORD-HNNXBMFYSA-N 0 3 270.376 4.176 20 30 CIEDHN CC(C)Oc1ccc([C@H](C)N[C@H]2CCC[C@H](C#N)C2)cc1 ZINC000185818125 327846413 /nfs/dbraw/zinc/84/64/13/327846413.db2.gz AEAQAUZHJQHKCW-ZOBUZTSGSA-N 0 3 286.419 4.207 20 30 CIEDHN N#Cc1ccc2c(c1)[C@H](N[C@@H](c1cccs1)C1CC1)CC2 ZINC000571092122 328085047 /nfs/dbraw/zinc/08/50/47/328085047.db2.gz ITNARYXSZQOKRM-SJLPKXTDSA-N 0 3 294.423 4.348 20 30 CIEDHN Cc1ccccc1C[C@@H](C)N(C)Cc1cccc(C#N)c1F ZINC000571251306 328094543 /nfs/dbraw/zinc/09/45/43/328094543.db2.gz RAOYOSNGJNINAS-OAHLLOKOSA-N 0 3 296.389 4.069 20 30 CIEDHN C[C@H]1C[C@@H](NCc2ccc(CC#N)cc2)c2ccccc21 ZINC000571641842 328167311 /nfs/dbraw/zinc/16/73/11/328167311.db2.gz RZSXDMCVXDLUEC-IFXJQAMLSA-N 0 3 276.383 4.091 20 30 CIEDHN Cc1cc(CNCC(C)(C)CC#N)ccc1C(F)(F)F ZINC000414468114 328183814 /nfs/dbraw/zinc/18/38/14/328183814.db2.gz XUDIPGMQIHYYAL-UHFFFAOYSA-N 0 3 284.325 4.043 20 30 CIEDHN CCc1nc(C)c([C@@H](C)N[C@H](C)c2ccc(C#N)cc2)s1 ZINC000268815216 328186450 /nfs/dbraw/zinc/18/64/50/328186450.db2.gz PPPRJCFZUSAXSX-VXGBXAGGSA-N 0 3 299.443 4.297 20 30 CIEDHN CC(C)[C@@H](CC(F)(F)F)N[C@@H](C)c1ccc(C#N)cc1 ZINC000437097742 328197879 /nfs/dbraw/zinc/19/78/79/328197879.db2.gz NLEASKQSAIYYLK-SMDDNHRTSA-N 0 3 284.325 4.186 20 30 CIEDHN C[C@@H](CCC#N)N(C)Cc1csc2ccccc12 ZINC000276349327 328217771 /nfs/dbraw/zinc/21/77/71/328217771.db2.gz WBRBFWLAWBDKPH-LBPRGKRZSA-N 0 3 258.390 4.025 20 30 CIEDHN Cc1csc([C@H](NCCCCC(C)(C)C#N)C2CC2)n1 ZINC000278899922 328232000 /nfs/dbraw/zinc/23/20/00/328232000.db2.gz VEKCKTMBJOSKNU-CQSZACIVSA-N 0 3 291.464 4.212 20 30 CIEDHN CCCN(Cc1sccc1C)Cc1ccc(C#N)cc1 ZINC000535076182 328384685 /nfs/dbraw/zinc/38/46/85/328384685.db2.gz UDMYWGPICQPSIG-UHFFFAOYSA-N 0 3 284.428 4.340 20 30 CIEDHN C=CCOc1ccc(CN(Cc2ccccn2)C(C)C)cc1 ZINC000535082945 328385576 /nfs/dbraw/zinc/38/55/76/328385576.db2.gz HJFBUOIJJLREAM-UHFFFAOYSA-N 0 3 296.414 4.057 20 30 CIEDHN C[C@@H](NCCCC#N)c1ccccc1OCc1ccccc1 ZINC000341597536 328412616 /nfs/dbraw/zinc/41/26/16/328412616.db2.gz XWDSCLVZHKWEHQ-MRXNPFEDSA-N 0 3 294.398 4.220 20 30 CIEDHN C[C@H](N[C@H]1c2ccccc2C[C@H]1C)c1ccc(C#N)cc1 ZINC000538407161 326830240 /nfs/dbraw/zinc/83/02/40/326830240.db2.gz MPUZCQRPSRZOBY-BIENJYKASA-N 0 3 276.383 4.142 20 30 CIEDHN C=CCC[C@@H](NCc1ccc(CN(C)C)cc1)c1ccco1 ZINC000556865324 326975121 /nfs/dbraw/zinc/97/51/21/326975121.db2.gz AZWLPEYQLNVPIU-GOSISDBHSA-N 0 3 298.430 4.138 20 30 CIEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(CC#N)cc1)CCC2 ZINC000565832884 327031147 /nfs/dbraw/zinc/03/11/47/327031147.db2.gz DODVCZKODISRQN-HXUWFJFHSA-N 0 3 290.410 4.228 20 30 CIEDHN C=CCN(Cc1ccc(OC)cc1)[C@H](C)c1ccccc1 ZINC000584190042 327059574 /nfs/dbraw/zinc/05/95/74/327059574.db2.gz GZDJZASRSHKKCM-MRXNPFEDSA-N 0 3 281.399 4.444 20 30 CIEDHN CC[C@H]1[C@H](C)CCN1Cc1ccc(C#N)cc1C(F)(F)F ZINC000558575872 327106556 /nfs/dbraw/zinc/10/65/56/327106556.db2.gz 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/nfs/dbraw/zinc/15/62/06/327156206.db2.gz FJVGZRNLBPUOGX-PBHICJAKSA-N 0 3 294.373 4.248 20 30 CIEDHN CN(Cc1ccc(C(C)(C)C)cc1)[C@H]1CC[C@H](C#N)C1 ZINC000569509331 327187125 /nfs/dbraw/zinc/18/71/25/327187125.db2.gz WGYUMDZGWMQLBA-RDJZCZTQSA-N 0 3 270.420 4.108 20 30 CIEDHN C=CCN(Cc1ccccc1F)C[C@@H]1CCC(F)(F)C1 ZINC000559778648 327261004 /nfs/dbraw/zinc/26/10/04/327261004.db2.gz YNSSATBVJNLMPQ-CYBMUJFWSA-N 0 3 283.337 4.249 20 30 CIEDHN C=CCN(Cc1ccccc1F)C[C@H]1CCC(F)(F)C1 ZINC000559778649 327261088 /nfs/dbraw/zinc/26/10/88/327261088.db2.gz YNSSATBVJNLMPQ-ZDUSSCGKSA-N 0 3 283.337 4.249 20 30 CIEDHN C=CCC[C@H](NC[C@@H](C)N1CCCC[C@H]1C)c1ccco1 ZINC000560514479 327317401 /nfs/dbraw/zinc/31/74/01/327317401.db2.gz NNRITQMRNUXZNO-ZACQAIPSSA-N 0 3 290.451 4.139 20 30 CIEDHN C=CC[C@H](C)[C@@H](C)NCc1c(F)cccc1N1CCCC1 ZINC000560569669 327325636 /nfs/dbraw/zinc/32/56/36/327325636.db2.gz IDPCAHNDFABYMI-LSDHHAIUSA-N 0 3 290.426 4.116 20 30 CIEDHN C=CCCCC[C@@H](C)N[C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000561017124 327358974 /nfs/dbraw/zinc/35/89/74/327358974.db2.gz LZFRFALXSAAHQJ-CVEARBPZSA-N 0 3 298.434 4.053 20 30 CIEDHN C=CCC[C@@H](C)NCc1nc(-c2ccccc2F)cs1 ZINC000561412135 327393353 /nfs/dbraw/zinc/39/33/53/327393353.db2.gz YSBMSHQTRFVJCF-GFCCVEGCSA-N 0 3 290.407 4.394 20 30 CIEDHN C=CCOc1cccc(CNCc2cc3ccccc3[nH]2)c1 ZINC000561438558 327395030 /nfs/dbraw/zinc/39/50/30/327395030.db2.gz VJHBFVDNXFCCRJ-UHFFFAOYSA-N 0 3 292.382 4.023 20 30 CIEDHN C=CC[C@@H](C)N[C@H](C)c1sccc1Br ZINC000161688316 327608579 /nfs/dbraw/zinc/60/85/79/327608579.db2.gz ZYZLZCBBYHXLFH-RKDXNWHRSA-N 0 3 274.227 4.126 20 30 CIEDHN CC(C)(C)[C@H](NCCC(C)(C)C#N)c1ccc(F)cc1 ZINC000535664109 328607151 /nfs/dbraw/zinc/60/71/51/328607151.db2.gz XFQBXIBBVIMFCV-OAHLLOKOSA-N 0 3 276.399 4.442 20 30 CIEDHN N#CCCCN1Cc2ccccc2C[C@H]1c1ccccc1 ZINC000174036717 329153670 /nfs/dbraw/zinc/15/36/70/329153670.db2.gz COOSYSBNENSFFT-IBGZPJMESA-N 0 3 276.383 4.090 20 30 CIEDHN Cc1ccc2c(c1)[C@H](NCc1ccc(C#N)cc1)CCC2 ZINC000178951996 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281.399 4.339 20 30 CIEDHN CC#CCCNCc1ccc(-c2nc3ccccc3s2)o1 ZINC000166301393 331307043 /nfs/dbraw/zinc/30/70/43/331307043.db2.gz DQUQCVKXFFHQIG-UHFFFAOYSA-N 0 3 296.395 4.059 20 30 CIEDHN CC#CCCN(C)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000462321180 331319586 /nfs/dbraw/zinc/31/95/86/331319586.db2.gz LXZZONIBVUWEQU-LBPRGKRZSA-N 0 3 269.310 4.112 20 30 CIEDHN C[C@H]1CCCc2ccccc2[C@@H]1NCc1ccc(C#N)cc1 ZINC000462547507 331323302 /nfs/dbraw/zinc/32/33/02/331323302.db2.gz HFYPEGGDEDTEBW-MGPUTAFESA-N 0 3 290.410 4.362 20 30 CIEDHN C=C(C)COCCN[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000463010681 331336935 /nfs/dbraw/zinc/33/69/35/331336935.db2.gz MSWXTVHGLVHJPO-HNNXBMFYSA-N 0 3 291.435 4.107 20 30 CIEDHN C=CCCOCCN[C@@H](C)c1ccc(OC(C)(C)C)cc1 ZINC000463024205 331337348 /nfs/dbraw/zinc/33/73/48/331337348.db2.gz ODRNGHVZQHNHIB-HNNXBMFYSA-N 0 3 291.435 4.107 20 30 CIEDHN CCC1(CC)CN([C@H](C)c2ccc(C#N)cc2)CCS1 ZINC000464570126 331362857 /nfs/dbraw/zinc/36/28/57/331362857.db2.gz AKVIMYLAOSGIAV-CQSZACIVSA-N 0 3 288.460 4.227 20 30 CIEDHN C=CCOCCCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000470770557 331490138 /nfs/dbraw/zinc/49/01/38/331490138.db2.gz COXDXLXVOZQQBH-IBGZPJMESA-N 0 3 299.389 4.097 20 30 CIEDHN Cc1ccc([C@H](N[C@H]2CC[C@H](C#N)C2)c2ccccc2)cc1 ZINC000471616819 331513600 /nfs/dbraw/zinc/51/36/00/331513600.db2.gz CXMWROLGFDNVMR-FFZOFVMBSA-N 0 3 290.410 4.366 20 30 CIEDHN N#Cc1cccc(CN[C@@H]2CCC[C@H]2c2ccccc2)c1F ZINC000475204834 331618153 /nfs/dbraw/zinc/61/81/53/331618153.db2.gz JSMLZHMAFMSWMV-ZWKOTPCHSA-N 0 3 294.373 4.123 20 30 CIEDHN C=CCC[C@@H](CCC)N[C@@H](C)c1ccncc1F ZINC000511051069 332925775 /nfs/dbraw/zinc/92/57/75/332925775.db2.gz QIDSYSDXANKVHT-QWHCGFSZSA-N 0 3 250.361 4.006 20 30 CIEDHN C=C(C)[C@@H](NCC[C@@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000481604075 331810260 /nfs/dbraw/zinc/81/02/60/331810260.db2.gz KOJSPBUIGVLFSF-WMLDXEAASA-N 0 3 295.373 4.131 20 30 CIEDHN C=C(C)[C@H](NCC[C@H]1CCCCO1)c1ccc(F)c(F)c1 ZINC000481604073 331810315 /nfs/dbraw/zinc/81/03/15/331810315.db2.gz KOJSPBUIGVLFSF-PBHICJAKSA-N 0 3 295.373 4.131 20 30 CIEDHN Cc1ccc(CN[C@@H]2CCCCc3cc(C#N)ccc32)cc1 ZINC000481912101 331818422 /nfs/dbraw/zinc/81/84/22/331818422.db2.gz UUYTWTFLZQCUGJ-HXUWFJFHSA-N 0 3 290.410 4.424 20 30 CIEDHN C=CCCCCCNC(C)(C)c1nc(C)c(C)s1 ZINC000488114721 331990705 /nfs/dbraw/zinc/99/07/05/331990705.db2.gz UUKNMPVKNCYKFF-UHFFFAOYSA-N 0 3 266.454 4.331 20 30 CIEDHN Cc1cc(CN2C[C@H](C)[C@H]2c2ccccc2)ccc1C#N ZINC000488470737 332012373 /nfs/dbraw/zinc/01/23/73/332012373.db2.gz VMJBWTHRSZRSGA-KXBFYZLASA-N 0 3 276.383 4.060 20 30 CIEDHN C[C@@H](c1cccc(C#N)c1)N(C)CCCOc1ccccc1 ZINC000490091715 332081126 /nfs/dbraw/zinc/08/11/26/332081126.db2.gz NCEYBEQHLGIRSH-INIZCTEOSA-N 0 3 294.398 4.020 20 30 CIEDHN CCSc1cccc(CNCc2cc(C#N)cs2)c1 ZINC000492483113 332399798 /nfs/dbraw/zinc/39/97/98/332399798.db2.gz JJOCCRWORFASGP-UHFFFAOYSA-N 0 3 288.441 4.022 20 30 CIEDHN C=CC[C@@H](C)N[C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000494027163 332461363 /nfs/dbraw/zinc/46/13/63/332461363.db2.gz GKACOLURKRFQDJ-KUHUBIRLSA-N 0 3 299.389 4.478 20 30 CIEDHN N#CC1(CCN2CCC=C(c3ccccn3)C2)CCCCC1 ZINC000575758866 335112656 /nfs/dbraw/zinc/11/26/56/335112656.db2.gz FFVHRSMRHIBXJI-UHFFFAOYSA-N 0 3 295.430 4.035 20 30 CIEDHN C=CCC[C@H](NCCc1ccc2c(c1)CCO2)c1ccco1 ZINC000552042743 334280423 /nfs/dbraw/zinc/28/04/23/334280423.db2.gz ZYHFPJLBJDFVNW-KRWDZBQOSA-N 0 3 297.398 4.054 20 30 CIEDHN C=C(CN[C@H](C)c1cnn(C2CCCC2)c1)c1ccccc1 ZINC000502412164 332657797 /nfs/dbraw/zinc/65/77/97/332657797.db2.gz DQEAMVIHKHAACE-MRXNPFEDSA-N 0 3 295.430 4.362 20 30 CIEDHN C[C@H](NC/C=C\c1ccc(F)c(F)c1)c1ccc(C#N)cc1 ZINC000512103409 332953889 /nfs/dbraw/zinc/95/38/89/332953889.db2.gz GDNZFHHZUQNMFL-ZRMMWKCHSA-N 0 3 298.336 4.200 20 30 CIEDHN Cc1cccc(C)c1CCN[C@H](C)c1ccc(C#N)cc1F ZINC000512628593 332976649 /nfs/dbraw/zinc/97/66/49/332976649.db2.gz FNEBUCRTDYEPCX-OAHLLOKOSA-N 0 3 296.389 4.208 20 30 CIEDHN C=CCCC[C@@H](C)N[C@H](C)c1ccc(C#N)cc1F ZINC000512633641 332976971 /nfs/dbraw/zinc/97/69/71/332976971.db2.gz AJRLOXXVCKXTBA-CHWSQXEVSA-N 0 3 260.356 4.093 20 30 CIEDHN C[C@H](CCc1ccccc1)N[C@@H](C)c1ccc(C#N)cc1F ZINC000512661760 332978532 /nfs/dbraw/zinc/97/85/32/332978532.db2.gz UCGAYYGXCISZGT-CABCVRRESA-N 0 3 296.389 4.369 20 30 CIEDHN C[C@H](N[C@H](c1ccccc1)C1CC1)c1ccc(C#N)cc1F ZINC000512660667 332978609 /nfs/dbraw/zinc/97/86/09/332978609.db2.gz OIKMVGFRBJXGDY-ORAYPTAESA-N 0 3 294.373 4.499 20 30 CIEDHN C/C(=C/c1ccc(Cl)cc1)CNCc1cccc(C#N)c1 ZINC000513030908 332999886 /nfs/dbraw/zinc/99/98/86/332999886.db2.gz IOSZIFAPMIHOFM-ZROIWOOFSA-N 0 3 296.801 4.405 20 30 CIEDHN C[C@H]1C[C@H](c2ccccc2)N(Cc2ccc(C#N)c(F)c2)C1 ZINC000513237047 333010348 /nfs/dbraw/zinc/01/03/48/333010348.db2.gz SJWWECVIIMHMFR-IFXJQAMLSA-N 0 3 294.373 4.280 20 30 CIEDHN C=CC[C@H](CC)NCc1ccc(Sc2ccccn2)o1 ZINC000513460386 333021064 /nfs/dbraw/zinc/02/10/64/333021064.db2.gz DWWWFQHNLUHMFZ-ZDUSSCGKSA-N 0 3 288.416 4.270 20 30 CIEDHN C=CC[C@H](C)NCc1ccc(F)c(Cl)c1Cl ZINC000309755193 333048604 /nfs/dbraw/zinc/04/86/04/333048604.db2.gz LHWNNFGXUNUXSD-QMMMGPOBSA-N 0 3 262.155 4.187 20 30 CIEDHN C[C@H](NCc1ccc(C(F)F)cc1)c1cccc(C#N)c1 ZINC000183989507 333124230 /nfs/dbraw/zinc/12/42/30/333124230.db2.gz XUBLKZBYBRGJOL-LBPRGKRZSA-N 0 3 286.325 4.347 20 30 CIEDHN CCCN(Cc1ccccc1C#N)[C@@H]1CCc2ccccc21 ZINC000521819322 333190087 /nfs/dbraw/zinc/19/00/87/333190087.db2.gz YIYBNJIVXKUPSN-HXUWFJFHSA-N 0 3 290.410 4.458 20 30 CIEDHN C[C@H](NCc1ccc(C2CC2)cc1)c1cccc(C#N)c1 ZINC000190804013 333210742 /nfs/dbraw/zinc/21/07/42/333210742.db2.gz SNUGPBBFEQRFBJ-AWEZNQCLSA-N 0 3 276.383 4.286 20 30 CIEDHN CC[C@H](Cc1ccc(Cl)cc1Cl)NCC1(C#N)CC1 ZINC000521958829 333228023 /nfs/dbraw/zinc/22/80/23/333228023.db2.gz PTNXZDIXHXPZJH-CYBMUJFWSA-N 0 3 297.229 4.208 20 30 CIEDHN Cc1ccccc1[C@@H](C)N(C)Cc1cccc(C#N)c1 ZINC000193426269 333249801 /nfs/dbraw/zinc/24/98/01/333249801.db2.gz GTMVQFOWKLUYEC-OAHLLOKOSA-N 0 3 264.372 4.060 20 30 CIEDHN C=CCCCCCN[C@@H](CC)c1nc(C)cs1 ZINC000193547456 333252271 /nfs/dbraw/zinc/25/22/71/333252271.db2.gz DORXMTATFGFZKR-ZDUSSCGKSA-N 0 3 252.427 4.239 20 30 CIEDHN C=CCCCCCN[C@H](c1ncc(C)s1)C1CC1 ZINC000193548663 333252787 /nfs/dbraw/zinc/25/27/87/333252787.db2.gz AWHVGWRYJUOXRB-AWEZNQCLSA-N 0 3 264.438 4.239 20 30 CIEDHN C=C(C)CN(C)[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000195732511 333262620 /nfs/dbraw/zinc/26/26/20/333262620.db2.gz ABSVDMUGFNMUKS-LLVKDONJSA-N 0 3 257.299 4.274 20 30 CIEDHN C=CCSCCNC1c2ccccc2-c2ccccc21 ZINC000226728803 333268514 /nfs/dbraw/zinc/26/85/14/333268514.db2.gz NSPQEYFCIRKDBD-UHFFFAOYSA-N 0 3 281.424 4.265 20 30 CIEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1ccc(F)cc1C#N ZINC000522469818 333287626 /nfs/dbraw/zinc/28/76/26/333287626.db2.gz QNQGKGXCUBODBI-RDTXWAMCSA-N 0 3 294.373 4.075 20 30 CIEDHN C[C@H]1C[C@H](c2ccccc2)CN1Cc1cc(C#N)ccc1F ZINC000522471010 333287632 /nfs/dbraw/zinc/28/76/32/333287632.db2.gz YXQFCVNCIGTKLO-YOEHRIQHSA-N 0 3 294.373 4.075 20 30 CIEDHN C[C@@H]1C[C@@H](c2ccccc2)CN1Cc1cc(C#N)ccc1F ZINC000522471008 333287735 /nfs/dbraw/zinc/28/77/35/333287735.db2.gz YXQFCVNCIGTKLO-RHSMWYFYSA-N 0 3 294.373 4.075 20 30 CIEDHN C=CC1CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000523607631 333334015 /nfs/dbraw/zinc/33/40/15/333334015.db2.gz NFCSKLKRBCSFHR-UHFFFAOYSA-N 0 3 269.310 4.103 20 30 CIEDHN C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2cccc(C#N)c2)C1 ZINC000524755140 333386699 /nfs/dbraw/zinc/38/66/99/333386699.db2.gz QEGPYDJTHCAHGU-IFXJQAMLSA-N 0 3 294.373 4.280 20 30 CIEDHN N#Cc1ccccc1CN[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000530359588 333544323 /nfs/dbraw/zinc/54/43/23/333544323.db2.gz YAXJBIYOHLRDDL-FXAWDEMLSA-N 0 3 290.410 4.059 20 30 CIEDHN COc1ccc([C@@H](C)NCC#Cc2cccc(Cl)c2)cc1 ZINC000538128478 333576064 /nfs/dbraw/zinc/57/60/64/333576064.db2.gz DNPBSEPABPJDMF-CQSZACIVSA-N 0 3 299.801 4.051 20 30 CIEDHN C=C(CC)CN[C@@H](C)c1ccc(-c2ccncc2)cc1 ZINC000538237044 333580636 /nfs/dbraw/zinc/58/06/36/333580636.db2.gz GYUAEHZWVGVSSM-HNNXBMFYSA-N 0 3 266.388 4.365 20 30 CIEDHN C=C(C)COCCN[C@@H](C)c1cc2cc(Cl)ccc2o1 ZINC000538409821 333589466 /nfs/dbraw/zinc/58/94/66/333589466.db2.gz YPDQFISJSDYCFJ-LBPRGKRZSA-N 0 3 293.794 4.330 20 30 CIEDHN C=CCCC[C@@H](C)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000539197468 333660465 /nfs/dbraw/zinc/66/04/65/333660465.db2.gz IPDDTIVHQNAZLI-XWGMLZDCSA-N 0 3 298.474 4.062 20 30 CIEDHN Cc1cccc2c1CC[C@@H]2N[C@@H](C)c1ccc(C#N)cc1 ZINC000539508496 333675047 /nfs/dbraw/zinc/67/50/47/333675047.db2.gz OQDXRUBCTMGGKL-LIRRHRJNSA-N 0 3 276.383 4.205 20 30 CIEDHN CC[C@H](NCCC(C)(C)C#N)c1ccc(Cl)cc1 ZINC000539612752 333681371 /nfs/dbraw/zinc/68/13/71/333681371.db2.gz AFTZMHGGTUHMSM-AWEZNQCLSA-N 0 3 264.800 4.321 20 30 CIEDHN C[C@H](NCC#Cc1ccccc1Cl)c1ccccc1 ZINC000540404027 333728659 /nfs/dbraw/zinc/72/86/59/333728659.db2.gz NDWSZXUMHZDMBL-AWEZNQCLSA-N 0 3 269.775 4.042 20 30 CIEDHN CC(C)(C#N)CCN[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000540665760 333741028 /nfs/dbraw/zinc/74/10/28/333741028.db2.gz SMYIOTKSSRXECT-SFHVURJKSA-N 0 3 296.389 4.445 20 30 CIEDHN C=CCSCCN[C@H](C)c1ccc(SC)c(F)c1 ZINC000540968720 333756030 /nfs/dbraw/zinc/75/60/30/333756030.db2.gz KPDCTVHKXLPXMS-LLVKDONJSA-N 0 3 285.453 4.117 20 30 CIEDHN C=CCC[C@@H](C)NCC#Cc1ccc(C(F)(F)F)cc1 ZINC000542667793 333835277 /nfs/dbraw/zinc/83/52/77/333835277.db2.gz YXGXPRYEDPIOIT-CYBMUJFWSA-N 0 3 281.321 4.001 20 30 CIEDHN C[C@H](C#N)CN[C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000543620963 333885086 /nfs/dbraw/zinc/88/50/86/333885086.db2.gz YTKFECRESVTNRZ-BYCMXARLSA-N 0 3 296.336 4.091 20 30 CIEDHN CC[C@@H](Cc1ccc(Cl)cc1Cl)NC[C@H](C)C#N ZINC000133035266 334013729 /nfs/dbraw/zinc/01/37/29/334013729.db2.gz AHXDIAUPTHOWBE-MFKMUULPSA-N 0 3 285.218 4.064 20 30 CIEDHN Cc1cccc(C)c1[C@H](C)NCc1cccc(C#N)c1 ZINC000546171301 334018184 /nfs/dbraw/zinc/01/81/84/334018184.db2.gz BYDPASDUDSCQBJ-HNNXBMFYSA-N 0 3 264.372 4.026 20 30 CIEDHN C[C@@H]1CC[C@H](NCc2ccc(CC#N)cc2)c2ccccc21 ZINC000576226717 335173718 /nfs/dbraw/zinc/17/37/18/335173718.db2.gz SNOVUWFBNAFRGJ-QRWLVFNGSA-N 0 3 290.410 4.481 20 30 CIEDHN CC[C@H](CC(F)(F)F)N[C@H](C)c1ccc(C#N)c(F)c1 ZINC000546870534 334052607 /nfs/dbraw/zinc/05/26/07/334052607.db2.gz JFUOHIGEXIYXFQ-BXKDBHETSA-N 0 3 288.288 4.079 20 30 CIEDHN Cc1cccc(C)c1[C@@H](C)NCc1ccc(C#N)cc1 ZINC000546883171 334053656 /nfs/dbraw/zinc/05/36/56/334053656.db2.gz CVOSBEMMEGPAEY-OAHLLOKOSA-N 0 3 264.372 4.026 20 30 CIEDHN CC[C@@H](CC#N)N[C@H](C)CCc1cccc(C(F)(F)F)c1 ZINC000136958848 334166069 /nfs/dbraw/zinc/16/60/69/334166069.db2.gz BLNBRVJCRSOAMV-DOMZBBRYSA-N 0 3 298.352 4.308 20 30 CIEDHN C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1cccc(C#N)c1 ZINC000080339830 334170719 /nfs/dbraw/zinc/17/07/19/334170719.db2.gz IUOQPIPJLTYDEW-BFUOFWGJSA-N 0 3 294.373 4.111 20 30 CIEDHN C[C@@H]1CCN(CCCC(C)(C)C#N)[C@@H](c2ccco2)C1 ZINC000245409365 334190526 /nfs/dbraw/zinc/19/05/26/334190526.db2.gz LWKMKFXYWTYCBA-HUUCEWRRSA-N 0 3 274.408 4.383 20 30 CIEDHN C=C(C)[C@@H](NCCC1(OC)CCC1)c1ccc(F)c(F)c1 ZINC000549552590 334197739 /nfs/dbraw/zinc/19/77/39/334197739.db2.gz DVBOQPLJAFVSDE-MRXNPFEDSA-N 0 3 295.373 4.131 20 30 CIEDHN C=CCOCCN[C@@H](C)c1ccc(SC(C)C)cc1 ZINC000549927810 334209505 /nfs/dbraw/zinc/20/95/05/334209505.db2.gz FEYOLSOLPQLPHT-AWEZNQCLSA-N 0 3 279.449 4.040 20 30 CIEDHN C=CCC[C@@H](N[C@H](C)c1ccnc(OC)c1)c1ccccc1 ZINC000551314901 334246658 /nfs/dbraw/zinc/24/66/58/334246658.db2.gz IGCNYRWQUBKCJC-CRAIPNDOSA-N 0 3 296.414 4.448 20 30 CIEDHN C=CCC[C@H](NCCc1csc(CC)n1)c1ccco1 ZINC000552045108 334280811 /nfs/dbraw/zinc/28/08/11/334280811.db2.gz YICNRKTVBDCGNJ-AWEZNQCLSA-N 0 3 290.432 4.138 20 30 CIEDHN C=CCC[C@H](NCCc1c(F)cccc1F)c1ccco1 ZINC000552049615 334281571 /nfs/dbraw/zinc/28/15/71/334281571.db2.gz ZNDTYZZHGYYLRC-INIZCTEOSA-N 0 3 291.341 4.397 20 30 CIEDHN C=CCC[C@H](NC[C@](C)(O)C1CCCCC1)c1ccco1 ZINC000552068185 334285275 /nfs/dbraw/zinc/28/52/75/334285275.db2.gz MIMDSGLNMKLKLD-WMZOPIPTSA-N 0 3 291.435 4.208 20 30 CIEDHN C=CCC[C@H](C)NCc1ccncc1OCc1ccccc1 ZINC000552091808 334288437 /nfs/dbraw/zinc/28/84/37/334288437.db2.gz YTVLYHCDGOYKPO-INIZCTEOSA-N 0 3 296.414 4.105 20 30 CIEDHN N#Cc1ccc(CN2CC[C@H](c3cccc(Cl)c3)C2)cc1 ZINC000552316870 334316164 /nfs/dbraw/zinc/31/61/64/334316164.db2.gz QDZFFQJEUCMELC-KRWDZBQOSA-N 0 3 296.801 4.201 20 30 CIEDHN C=CCC[C@@H](NCC1(C(F)(F)F)CC1)c1ccco1 ZINC000552337423 334318276 /nfs/dbraw/zinc/31/82/76/334318276.db2.gz UBKFRRBPLIRJRV-LLVKDONJSA-N 0 3 273.298 4.219 20 30 CIEDHN C[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(C(F)(F)F)cc1 ZINC000248916191 334321860 /nfs/dbraw/zinc/32/18/60/334321860.db2.gz WCHAFVMQHIVFRV-YWPYICTPSA-N 0 3 296.336 4.438 20 30 CIEDHN C[C@H](N[C@H]1CCC[C@@H](C#N)C1)c1ccc(F)cc1Cl ZINC000248938236 334322259 /nfs/dbraw/zinc/32/22/59/334322259.db2.gz YOFSOOZKAJAKFT-LOWVWBTDSA-N 0 3 280.774 4.212 20 30 CIEDHN C=C(C)[C@H](N[C@@H]1CCC[C@@H](C#N)C1)c1ccc(F)c(F)c1 ZINC000249048931 334325819 /nfs/dbraw/zinc/32/58/19/334325819.db2.gz WZFIFZTVUUYEGR-MRRJBJDNSA-N 0 3 290.357 4.254 20 30 CIEDHN N#C[C@@H]1CCC[C@@H](N[C@@H]2CCSc3ccc(F)cc32)C1 ZINC000249053723 334325974 /nfs/dbraw/zinc/32/59/74/334325974.db2.gz YBXFQYCPZGEAJS-UXIGCNINSA-N 0 3 290.407 4.035 20 30 CIEDHN C[C@H](NCc1cccc(Cl)c1)c1ccc(C#N)c(F)c1 ZINC000553767017 334398269 /nfs/dbraw/zinc/39/82/69/334398269.db2.gz ZUWROKVNRTTYOH-NSHDSACASA-N 0 3 288.753 4.202 20 30 CIEDHN CC(C)(C)[C@@H]1CCC[C@@H](NCc2nc(C#N)cs2)CC1 ZINC000566038914 334617805 /nfs/dbraw/zinc/61/78/05/334617805.db2.gz RBTHTPHPBGIYNY-CHWSQXEVSA-N 0 3 291.464 4.099 20 30 CIEDHN CC1(C)C[C@H](NCc2ccc(CC#N)cc2)c2ccccc21 ZINC000567385009 334711384 /nfs/dbraw/zinc/71/13/84/334711384.db2.gz XDVQWXRKWIKPOG-IBGZPJMESA-N 0 3 290.410 4.265 20 30 CIEDHN Cc1ccc2c(c1)CC[C@@H]2N[C@@H]1CCc2ccc(C#N)cc21 ZINC000577108560 335301337 /nfs/dbraw/zinc/30/13/37/335301337.db2.gz XXEOISPDSDNLKC-VQTJNVASSA-N 0 3 288.394 4.131 20 30 CIEDHN Cc1cccc(C2(NCc3ccc(C#N)s3)CCCC2)c1 ZINC000176961682 335345575 /nfs/dbraw/zinc/34/55/75/335345575.db2.gz OMFASIKJRLYMJO-UHFFFAOYSA-N 0 3 296.439 4.487 20 30 CIEDHN Cc1cc([C@@H](C)NCc2ccc(CC#N)cc2)c(C)s1 ZINC000347521024 335382927 /nfs/dbraw/zinc/38/29/27/335382927.db2.gz ASWIMPXXQVEWDI-CYBMUJFWSA-N 0 3 284.428 4.282 20 30 CIEDHN CCC(CC)[C@@H](NCc1ccc(C#N)o1)c1cccs1 ZINC000578215321 335580609 /nfs/dbraw/zinc/58/06/09/335580609.db2.gz WNKLLQNUJOLCJU-MRXNPFEDSA-N 0 3 288.416 4.480 20 30 CIEDHN N#Cc1ccc2c(c1)[C@@H](NCc1cccc3ccccc31)CC2 ZINC000578373705 335621996 /nfs/dbraw/zinc/62/19/96/335621996.db2.gz MTRNKCUJYUWYBQ-NRFANRHFSA-N 0 3 298.389 4.489 20 30 CIEDHN CCC[C@@H](NCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000181774908 335784733 /nfs/dbraw/zinc/78/47/33/335784733.db2.gz XEPIKGGOLFJDLQ-GOSISDBHSA-N 0 3 294.398 4.198 20 30 CIEDHN CCC[C@H](NCc1ccc(C#N)cc1OC)c1ccccc1 ZINC000181774888 335784741 /nfs/dbraw/zinc/78/47/41/335784741.db2.gz XEPIKGGOLFJDLQ-SFHVURJKSA-N 0 3 294.398 4.198 20 30 CIEDHN Cc1oc2ccccc2c1CN[C@H](C)c1cccc(C#N)c1 ZINC000182482143 335822851 /nfs/dbraw/zinc/82/28/51/335822851.db2.gz CVLOFROWHFIZRI-CYBMUJFWSA-N 0 3 290.366 4.464 20 30 CIEDHN Cc1ccccc1C(NCCCC#N)c1ccccc1C ZINC000183937549 335913404 /nfs/dbraw/zinc/91/34/04/335913404.db2.gz CJMMTXJNQCXMMK-UHFFFAOYSA-N 0 3 278.399 4.286 20 30 CIEDHN C[C@@H](NCCCC(C)(C)C#N)c1nc(C(C)(C)C)cs1 ZINC000184450326 335926075 /nfs/dbraw/zinc/92/60/75/335926075.db2.gz SRJHVGVOXFWFMZ-GFCCVEGCSA-N 0 3 293.480 4.421 20 30 CIEDHN CCc1ccc([C@H](C)NCc2ccc(CC#N)cc2)s1 ZINC000581607405 336111443 /nfs/dbraw/zinc/11/14/43/336111443.db2.gz AITXLUSOLZHHTA-ZDUSSCGKSA-N 0 3 284.428 4.227 20 30 CIEDHN C[C@H]1c2c(F)cccc2CCN1CCCCC(C)(C)C#N ZINC000581705470 336131748 /nfs/dbraw/zinc/13/17/48/336131748.db2.gz HVNGLLFAVYFNSO-AWEZNQCLSA-N 0 3 288.410 4.465 20 30 CIEDHN C[C@H](CCC(C)(C)C)NCc1ccc(C#N)cc1F ZINC000386359457 336171399 /nfs/dbraw/zinc/17/13/99/336171399.db2.gz NXVKRQCSFHXWHC-GFCCVEGCSA-N 0 3 262.372 4.002 20 30 CIEDHN C[C@@H](N[C@@H](C)c1ccc(C#N)cc1)c1ccc2c(c1)CCC2 ZINC000387245221 336190372 /nfs/dbraw/zinc/19/03/72/336190372.db2.gz BVAUYUZVPOFLBK-LSDHHAIUSA-N 0 3 290.410 4.459 20 30 CIEDHN CC[C@H](C)N(Cc1ccccc1)Cc1cc(C#N)ccc1F ZINC000387373156 336193429 /nfs/dbraw/zinc/19/34/29/336193429.db2.gz MCOIQGZYMXOGIH-HNNXBMFYSA-N 0 3 296.389 4.498 20 30 CIEDHN CC(C)N(Cc1ccc(C#N)o1)[C@H](C)c1ccccc1 ZINC000292705950 519654033 /nfs/dbraw/zinc/65/40/33/519654033.db2.gz CVQRFRSSIPWRIQ-CQSZACIVSA-N 0 3 268.360 4.123 20 30 CIEDHN CC(C)Oc1cccc([C@@H](C)NCc2cccc(C#N)c2)c1 ZINC000078974665 519783400 /nfs/dbraw/zinc/78/34/00/519783400.db2.gz HNVNRKCPZMCIMF-OAHLLOKOSA-N 0 3 294.398 4.196 20 30 CIEDHN CCOc1ccc(CN[C@@H](CC)c2ccc(C#N)cc2)cc1 ZINC000278238206 521007459 /nfs/dbraw/zinc/00/74/59/521007459.db2.gz KZSXKVZCODSEDB-IBGZPJMESA-N 0 3 294.398 4.198 20 30 CIEDHN CCOc1ccc([C@H](C)N[C@@H](C)c2ccc(C#N)cc2)cc1 ZINC000078973580 521260544 /nfs/dbraw/zinc/26/05/44/521260544.db2.gz DDVFAWJCULXXJF-GJZGRUSLSA-N 0 3 294.398 4.369 20 30 CIEDHN CC[C@H](NCc1ccc(C#N)c(OC)c1)c1ccc(C)cc1 ZINC000353605482 522642803 /nfs/dbraw/zinc/64/28/03/522642803.db2.gz BRJDDIDTINKHTP-SFHVURJKSA-N 0 3 294.398 4.116 20 30 CIEDHN CC[C@@H](NCc1sccc1C)c1ccc(C#N)cc1 ZINC000278332454 522898547 /nfs/dbraw/zinc/89/85/47/522898547.db2.gz WKIPMWXKVQAQHQ-OAHLLOKOSA-N 0 3 270.401 4.169 20 30 CIEDHN CC[C@@H](N[C@H](C)c1cccc(OC)c1)c1ccc(C#N)cc1 ZINC000278289895 522939100 /nfs/dbraw/zinc/93/91/00/522939100.db2.gz QYAGLDHBMKQUQJ-AUUYWEPGSA-N 0 3 294.398 4.369 20 30 CIEDHN Cc1cc(C)cc(CN[C@@H](C)c2ccc(C#N)cc2)c1 ZINC000038076774 524382822 /nfs/dbraw/zinc/38/28/22/524382822.db2.gz DWFLWSYYKLFXNG-HNNXBMFYSA-N 0 3 264.372 4.026 20 30 CIEDHN COc1ccc([C@H](NCc2ccc(C#N)cc2)C(C)C)cc1 ZINC000052661573 525372010 /nfs/dbraw/zinc/37/20/10/525372010.db2.gz SCMZHMRUDYBFBG-LJQANCHMSA-N 0 3 294.398 4.054 20 30 CIEDHN C[C@H](N[C@@H]1CCc2c1cccc2F)c1ccc(C#N)cc1 ZINC000097988270 525583421 /nfs/dbraw/zinc/58/34/21/525583421.db2.gz ALQPZPKHNCXTAY-KPZWWZAWSA-N 0 3 280.346 4.035 20 30 CIEDHN C[C@H](N[C@H]1CCSc2ccccc21)c1ccc(C#N)cc1 ZINC000036991846 525629642 /nfs/dbraw/zinc/62/96/42/525629642.db2.gz GROWFDUQKVVHLG-GUYCJALGSA-N 0 3 294.423 4.446 20 30 CIEDHN C[C@@H](N[C@@H]1CCSc2ccccc21)c1ccc(C#N)cc1 ZINC000036991845 525647733 /nfs/dbraw/zinc/64/77/33/525647733.db2.gz GROWFDUQKVVHLG-CXAGYDPISA-N 0 3 294.423 4.446 20 30 CIEDHN Cc1ccc([C@H](C)NCc2cccc(C#N)c2)cc1C ZINC000037748752 525928390 /nfs/dbraw/zinc/92/83/90/525928390.db2.gz VXYWBSOKCZKDDR-HNNXBMFYSA-N 0 3 264.372 4.026 20 30 CIEDHN N#Cc1cccc(CN[C@@H](c2ccccc2)C2CCC2)c1 ZINC000104698782 526709079 /nfs/dbraw/zinc/70/90/79/526709079.db2.gz LHGYJTGNGBQTDI-IBGZPJMESA-N 0 3 276.383 4.189 20 30 CIEDHN N#Cc1cccc(CN[C@H](c2ccccc2)C2CCC2)c1 ZINC000104698786 526709090 /nfs/dbraw/zinc/70/90/90/526709090.db2.gz LHGYJTGNGBQTDI-LJQANCHMSA-N 0 3 276.383 4.189 20 30 CIEDHN CC1=C(c2ccco2)CN(CCCC(C)(C)C#N)CC1 ZINC000367219964 528093673 /nfs/dbraw/zinc/09/36/73/528093673.db2.gz PKRUQPNUMQINAL-UHFFFAOYSA-N 0 3 272.392 4.089 20 30 CIEDHN CCCCc1oc2ccccc2c1CNCCCC#N ZINC000344335857 529065825 /nfs/dbraw/zinc/06/58/25/529065825.db2.gz SHPZZMLRPBKTBH-UHFFFAOYSA-N 0 3 270.376 4.169 20 30 CIEDHN CC[C@@H](N[C@@H]1CCc2ccc(C#N)cc21)c1ccccc1 ZINC000353397235 529203650 /nfs/dbraw/zinc/20/36/50/529203650.db2.gz IOENHGQVCKSCMN-RTBURBONSA-N 0 3 276.383 4.286 20 30 CIEDHN CC[C@H](CC#N)N[C@H](C)C1CCC(C(F)(F)F)CC1 ZINC000354649538 529301073 /nfs/dbraw/zinc/30/10/73/529301073.db2.gz OCEXWBXUYXMHQU-IKWCTNDRSA-N 0 3 276.346 4.025 20 30 CIEDHN