smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)CNc1nc(-c2ccccc2)cs1 ZINC000000232076 526627195 /nfs/dbraw/zinc/62/71/95/526627195.db2.gz LGEAANJVHIFDTD-UHFFFAOYSA-N 0 0 230.336 3.798 20 30 BHEDRN CC(C)c1ccc(Nc2ncccc2C#N)cc1 ZINC000000387644 369385173 /nfs/dbraw/zinc/38/51/73/369385173.db2.gz NQYBRPGFHNSPPI-UHFFFAOYSA-N 0 0 237.306 3.820 20 30 BHEDRN Cc1cc2cc(CNC(=O)C(C)C)ccc2[nH]1 ZINC000000429812 178295043 /nfs/dbraw/zinc/29/50/43/178295043.db2.gz GEOHDXZDCCXVKR-UHFFFAOYSA-N 0 0 230.311 3.589 20 30 BHEDRN Oc1ccc(Cl)cc1/C=N/C1CCCCC1 ZINC000000524622 183273516 /nfs/dbraw/zinc/27/35/16/183273516.db2.gz GJFRLXUGHWKJMG-OQLLNIDSSA-N 0 0 237.730 3.797 20 30 BHEDRN N#Cc1ccc(-c2ccccc2Cl)cc1 ZINC000001257334 181095848 /nfs/dbraw/zinc/09/58/48/181095848.db2.gz HAFUYPDLOXDEFY-UHFFFAOYSA-N 0 0 213.667 3.879 20 30 BHEDRN N#Cc1ccccc1-c1ccccc1Cl ZINC000001257480 350371011 /nfs/dbraw/zinc/37/10/11/350371011.db2.gz ZXDYQXRJKNAQJS-UHFFFAOYSA-N 0 0 213.667 3.879 20 30 BHEDRN N#Cc1cccc(-c2ccccc2Cl)c1 ZINC000001257562 181133753 /nfs/dbraw/zinc/13/37/53/181133753.db2.gz DFBCKENMGSVROU-UHFFFAOYSA-N 0 0 213.667 3.879 20 30 BHEDRN CCc1ccccc1-c1ccccc1C#N ZINC000001258142 386106880 /nfs/dbraw/zinc/10/68/80/386106880.db2.gz BAGMSEPDLOZZOU-UHFFFAOYSA-N 0 0 207.276 3.788 20 30 BHEDRN CCc1ccc(-c2ccccc2C#N)cc1 ZINC000001259242 350943804 /nfs/dbraw/zinc/94/38/04/350943804.db2.gz NVBVKZMSPFUZRG-UHFFFAOYSA-N 0 0 207.276 3.788 20 30 BHEDRN CCCNC(=S)Nc1cc(Cl)ccc1C ZINC000001535302 188159105 /nfs/dbraw/zinc/15/91/05/188159105.db2.gz YOXYULLTHVLPOE-UHFFFAOYSA-N 0 0 242.775 3.756 20 30 BHEDRN CCCCCCCCC(=O)N1CCC[C@@H](C)C1 ZINC000001733508 643188692 /nfs/dbraw/zinc/18/86/92/643188692.db2.gz KVOASITZCMUEBS-CQSZACIVSA-N 0 0 239.403 3.996 20 30 BHEDRN CCCCCCCC(=O)N(C(C)C)C(C)C ZINC000001733542 587713048 /nfs/dbraw/zinc/71/30/48/587713048.db2.gz CWGFZAPGLJLHCA-UHFFFAOYSA-N 0 0 227.392 3.992 20 30 BHEDRN COc1cccc(/C=C/C(=O)C2CCCCC2)c1 ZINC000001764154 583849534 /nfs/dbraw/zinc/84/95/34/583849534.db2.gz CIPPDJREBYVXKS-ZHACJKMWSA-N 0 0 244.334 3.858 20 30 BHEDRN CCCCCCCC(=O)Nc1ccccc1 ZINC000002029692 643405816 /nfs/dbraw/zinc/40/58/16/643405816.db2.gz UQLCRQPLVWWHDC-UHFFFAOYSA-N 0 0 219.328 3.986 20 30 BHEDRN CCCCCCCCCC(=O)NCC(C)C ZINC000002170196 560186635 /nfs/dbraw/zinc/18/66/35/560186635.db2.gz JIOJLCAPGHFHDI-UHFFFAOYSA-N 0 0 227.392 3.899 20 30 biogenic,in-vitro BHEDRN CCCCCCCCC(=O)NCC(C)C ZINC000002170200 187814249 /nfs/dbraw/zinc/81/42/49/187814249.db2.gz GEKFTFHVKDWNGW-UHFFFAOYSA-N 0 0 213.365 3.509 20 30 BHEDRN CCCCCCCCCn1ccnc1C ZINC000002274821 587750885 /nfs/dbraw/zinc/75/08/85/587750885.db2.gz FKGMPZBNFPJVCH-UHFFFAOYSA-N 0 0 208.349 3.942 20 30 BHEDRN C=CCc1ccc(OCCC(C)C)c(OC)c1 ZINC000002515952 187756347 /nfs/dbraw/zinc/75/63/47/187756347.db2.gz KWDJRZJECQTKJT-UHFFFAOYSA-N 0 0 234.339 3.849 20 30 BHEDRN CCCCCCCCC(=O)OCCC ZINC000002515964 633021925 /nfs/dbraw/zinc/02/19/25/633021925.db2.gz HCMSDHYNNJTLRW-UHFFFAOYSA-N 0 0 200.322 3.690 20 30 BHEDRN CCCCCCCCC(=O)OC(C)C ZINC000002564119 187472915 /nfs/dbraw/zinc/47/29/15/187472915.db2.gz DVFZGWDMFKTMFQ-UHFFFAOYSA-N 0 0 200.322 3.689 20 30 endogenous,in-man BHEDRN N#Cc1ccc(OCC2CCCCC2)cc1 ZINC000002576334 181127604 /nfs/dbraw/zinc/12/76/04/181127604.db2.gz ANAILLNXVHSWDA-UHFFFAOYSA-N 0 0 215.296 3.517 20 30 BHEDRN CCCCCCCCCNC(=O)c1cccnc1 ZINC000003159738 634391610 /nfs/dbraw/zinc/39/16/10/634391610.db2.gz GPBKHZUWQWRROQ-UHFFFAOYSA-N 0 0 248.370 3.562 20 30 BHEDRN CCCCCCCCCNC(=O)c1ccncc1 ZINC000003159752 634391978 /nfs/dbraw/zinc/39/19/78/634391978.db2.gz QXXUWQVNQYUFOE-UHFFFAOYSA-N 0 0 248.370 3.562 20 30 BHEDRN CCCCCCCNC(=O)/C=C/c1ccccc1 ZINC000003159971 136208024 /nfs/dbraw/zinc/20/80/24/136208024.db2.gz XJKMGTXXWOFLLT-OUKQBFOZSA-N 0 0 245.366 3.786 20 30 BHEDRN CCCCCCCNC(=O)CCc1ccccc1 ZINC000003159976 136208023 /nfs/dbraw/zinc/20/80/23/136208023.db2.gz WNVJNNDJHSWQAK-UHFFFAOYSA-N 0 0 247.382 3.706 20 30 BHEDRN CCCCCCCC(=O)Nc1ncc(C)s1 ZINC000003160948 587836258 /nfs/dbraw/zinc/83/62/58/587836258.db2.gz VERUPIPVDMHJEZ-UHFFFAOYSA-N 0 0 240.372 3.751 20 30 BHEDRN CCCCCCCCCNC(=O)CC(C)C ZINC000003162384 634390242 /nfs/dbraw/zinc/39/02/42/634390242.db2.gz OOGSLNVVWWPSSH-UHFFFAOYSA-N 0 0 227.392 3.899 20 30 BHEDRN CCCCCCCC(=O)Nc1cccc(C)n1 ZINC000003190719 587836392 /nfs/dbraw/zinc/83/63/92/587836392.db2.gz BBFRKVIDOQDVBD-UHFFFAOYSA-N 0 0 234.343 3.689 20 30 BHEDRN CCCCCCCC(=O)Nc1ncccc1C ZINC000003190721 587836355 /nfs/dbraw/zinc/83/63/55/587836355.db2.gz AMABAYRVJIDQJY-UHFFFAOYSA-N 0 0 234.343 3.689 20 30 BHEDRN Cc1cccc(C(=O)/C=C/c2cccc(O)c2)c1 ZINC000003946072 634435405 /nfs/dbraw/zinc/43/54/05/634435405.db2.gz GPJXEEMHEDUKIP-CMDGGOBGSA-N 0 0 238.286 3.597 20 30 BHEDRN O=C(/C=C/c1ccsc1)c1ccsc1 ZINC000004276670 397922688 /nfs/dbraw/zinc/92/26/88/397922688.db2.gz AVXNUVHHGJELRS-OWOJBTEDSA-N 0 0 220.318 3.706 20 30 BHEDRN O=C(/C=C/c1ccccc1)c1ccsc1 ZINC000004276955 397922053 /nfs/dbraw/zinc/92/20/53/397922053.db2.gz ZYHMZJWJKIZTKS-VOTSOKGWSA-N 0 0 214.289 3.644 20 30 BHEDRN CC1(C)CCC/C(=C\c2ccccc2)C1=O ZINC000005190864 588171733 /nfs/dbraw/zinc/17/17/33/588171733.db2.gz USWYHRHBCQIVDR-ACCUITESSA-N 0 0 214.308 3.849 20 30 BHEDRN N#CCCOc1ccc(-c2ccc(C#N)cc2)cc1 ZINC000005242747 357268148 /nfs/dbraw/zinc/26/81/48/357268148.db2.gz NEFUCOIAJHIGRE-UHFFFAOYSA-N 0 0 248.285 3.518 20 30 BHEDRN O=C(/C=C\c1ccsc1)c1cccs1 ZINC000005263604 384109129 /nfs/dbraw/zinc/10/91/29/384109129.db2.gz BLXLKHPDMGGTDQ-ARJAWSKDSA-N 0 0 220.318 3.706 20 30 BHEDRN C=CCN(CC=C)C(=O)c1ccc(C(C)C)cc1 ZINC000005384690 368624664 /nfs/dbraw/zinc/62/46/64/368624664.db2.gz DKGVAEXNKMOUSS-UHFFFAOYSA-N 0 0 243.350 3.624 20 30 BHEDRN Cc1ccc(O)c(C(=O)/C=C/c2cccs2)c1 ZINC000005549228 588230502 /nfs/dbraw/zinc/23/05/02/588230502.db2.gz VCFJMEXLIHFQRQ-FNORWQNLSA-N 0 0 244.315 3.658 20 30 BHEDRN Cc1ccc(-c2ccc(OCC#N)cc2)cc1 ZINC000005814802 588280970 /nfs/dbraw/zinc/28/09/70/588280970.db2.gz PKJVYJCHQFEGRT-UHFFFAOYSA-N 0 0 223.275 3.564 20 30 BHEDRN C=C(C)CSc1nc2cc(Cl)ccc2[nH]1 ZINC000005817041 351068655 /nfs/dbraw/zinc/06/86/55/351068655.db2.gz YXZOAPFDVAJFNW-UHFFFAOYSA-N 0 0 238.743 3.885 20 30 BHEDRN C=C(C)CSc1nc2cc(C)ccc2[nH]1 ZINC000005818407 360498887 /nfs/dbraw/zinc/49/88/87/360498887.db2.gz RJXNBPORTQMARU-UHFFFAOYSA-N 0 0 218.325 3.540 20 30 BHEDRN O=C(/C=C/c1cccs1)c1ccsc1 ZINC000005852215 181845340 /nfs/dbraw/zinc/84/53/40/181845340.db2.gz WJVQHLMTEUFIKK-ONEGZZNKSA-N 0 0 220.318 3.706 20 30 BHEDRN Cc1ccc(CSc2cc(C#N)ccn2)cc1 ZINC000005930898 350201295 /nfs/dbraw/zinc/20/12/95/350201295.db2.gz UHNGCFZXECEDBI-UHFFFAOYSA-N 0 0 240.331 3.554 20 30 BHEDRN C#CCSc1nc(-c2ccccc2)cs1 ZINC000006157398 635340611 /nfs/dbraw/zinc/34/06/11/635340611.db2.gz QWYQHZVLFJMXEX-UHFFFAOYSA-N 0 0 231.345 3.535 20 30 BHEDRN COc1ccc(C(=O)/C=C/c2ccsc2)cc1 ZINC000006181817 635349716 /nfs/dbraw/zinc/34/97/16/635349716.db2.gz PXPSFJVASPEOLH-FARCUNLSSA-N 0 0 244.315 3.653 20 30 BHEDRN CC#CCCCC(=O)N[C@@H](C)CCCC(C)C ZINC000006262146 256800053 /nfs/dbraw/zinc/80/00/53/256800053.db2.gz FRPYSDIEXCZXGR-AWEZNQCLSA-N 0 0 237.387 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@H](C)CCCC(C)C ZINC000006262147 388513401 /nfs/dbraw/zinc/51/34/01/388513401.db2.gz FRPYSDIEXCZXGR-CQSZACIVSA-N 0 0 237.387 3.511 20 30 BHEDRN CC#CCCCC(=O)Nc1cccc(Cl)c1C ZINC000006262175 355364574 /nfs/dbraw/zinc/36/45/74/355364574.db2.gz PZZSWAYBJYQRAU-UHFFFAOYSA-N 0 0 249.741 3.781 20 30 BHEDRN Cc1ccsc1/C=C/C(=O)c1ccc(O)cc1 ZINC000006338470 645434187 /nfs/dbraw/zinc/43/41/87/645434187.db2.gz QBWIVYNWQHIHLI-VOTSOKGWSA-N 0 0 244.315 3.658 20 30 BHEDRN Cc1ccc(/C=C/C(=O)c2ccc(O)cc2)s1 ZINC000006338478 636054192 /nfs/dbraw/zinc/05/41/92/636054192.db2.gz NOZMKNVPBABJQK-CMDGGOBGSA-N 0 0 244.315 3.658 20 30 BHEDRN N#Cc1cc([N+](=O)[O-])ccc1SC1CCCC1 ZINC000006399944 181093374 /nfs/dbraw/zinc/09/33/74/181093374.db2.gz DBKBCQZVMIITKF-UHFFFAOYSA-N 0 0 248.307 3.501 20 30 BHEDRN C=C(C)CN(CC)C(=O)Nc1cccc(C)c1C ZINC000006593929 345796808 /nfs/dbraw/zinc/79/68/08/345796808.db2.gz LAJLRGJAHHMVQG-UHFFFAOYSA-N 0 0 246.354 3.733 20 30 BHEDRN C=C(C)CN(CC)C(=O)Nc1cc(C)ccc1C ZINC000006636595 136332382 /nfs/dbraw/zinc/33/23/82/136332382.db2.gz FVHLDQCFBHETKU-UHFFFAOYSA-N 0 0 246.354 3.733 20 30 BHEDRN CCCC(CCC)N=Nc1ccccc1[N+](=O)[O-] ZINC000006673464 635448148 /nfs/dbraw/zinc/44/81/48/635448148.db2.gz BMJIPNFEQOACLD-UHFFFAOYSA-N 0 0 249.314 3.963 20 30 BHEDRN CC1CCC(N=Nc2ccccc2[N+](=O)[O-])CC1 ZINC000006673467 635448583 /nfs/dbraw/zinc/44/85/83/635448583.db2.gz AMHNYKTVXXYUQD-UHFFFAOYSA-N 0 0 247.298 3.573 20 30 BHEDRN O=[N+]([O-])c1ccccc1N=NC1CCCCCC1 ZINC000006673468 635449032 /nfs/dbraw/zinc/44/90/32/635449032.db2.gz ZDUYMMSOHOFSGW-UHFFFAOYSA-N 0 0 247.298 3.717 20 30 BHEDRN Fc1ccc(N=NC2CCCCCC2)cc1 ZINC000006674968 635450778 /nfs/dbraw/zinc/45/07/78/635450778.db2.gz QMPRLQJHBKZKLJ-UHFFFAOYSA-N 0 0 220.291 3.948 20 30 BHEDRN N#Cc1cccc(-c2cncc3ccccc32)c1 ZINC000006757539 357909642 /nfs/dbraw/zinc/90/96/42/357909642.db2.gz MMBSSCYBBJGCKY-UHFFFAOYSA-N 0 0 230.270 3.773 20 30 BHEDRN C=CCSc1nc2cc(Cl)ccc2o1 ZINC000006820083 386562520 /nfs/dbraw/zinc/56/25/20/386562520.db2.gz IWAIZYDFGVKRLW-UHFFFAOYSA-N 0 0 225.700 3.759 20 30 BHEDRN CC#CCSc1nc2cc(Cl)ccc2o1 ZINC000006820252 386832081 /nfs/dbraw/zinc/83/20/81/386832081.db2.gz VSSXOIUZCFOEMJ-UHFFFAOYSA-N 0 0 237.711 3.597 20 30 BHEDRN C=C(C)CSc1nc2ccccc2s1 ZINC000007063469 355368300 /nfs/dbraw/zinc/36/83/00/355368300.db2.gz LXARVXHJBUFLCE-UHFFFAOYSA-N 0 0 221.350 3.965 20 30 BHEDRN C=C(C)CNC(=S)Nc1ccc(C(C)C)cc1 ZINC000007527438 636266547 /nfs/dbraw/zinc/26/65/47/636266547.db2.gz YSFDFEVSPQMXGN-UHFFFAOYSA-N 0 0 248.395 3.673 20 30 BHEDRN O=C(/C=C/c1cccnc1)c1cccc(Cl)c1 ZINC000007586955 636303501 /nfs/dbraw/zinc/30/35/01/636303501.db2.gz IASOQADGKVJCGU-VOTSOKGWSA-N 0 0 243.693 3.631 20 30 BHEDRN Cc1ccc(C)c(C(=O)/C=C/c2cccnc2)c1 ZINC000007621509 635262720 /nfs/dbraw/zinc/26/27/20/635262720.db2.gz UEKNLSHBPZNNMK-BQYQJAHWSA-N 0 0 237.302 3.595 20 30 BHEDRN C=CCNc1nc(-c2ccc(C)s2)cs1 ZINC000007643580 346664298 /nfs/dbraw/zinc/66/42/98/346664298.db2.gz QCILYFOKRDZGPS-UHFFFAOYSA-N 0 0 236.365 3.778 20 30 BHEDRN Cc1ccc(/C=C/C(=O)c2cccnc2)c(C)c1 ZINC000007739467 636460426 /nfs/dbraw/zinc/46/04/26/636460426.db2.gz XHBGXLFJPWYANA-BQYQJAHWSA-N 0 0 237.302 3.595 20 30 BHEDRN Cc1ccc(C)c(/C=C/C(=O)c2cccnc2)c1 ZINC000007739472 636460582 /nfs/dbraw/zinc/46/05/82/636460582.db2.gz YTEMCSSISGARGN-BQYQJAHWSA-N 0 0 237.302 3.595 20 30 BHEDRN C=CCNc1nc(-c2ccc(F)cc2)c(C)s1 ZINC000007843341 388551761 /nfs/dbraw/zinc/55/17/61/388551761.db2.gz KBDVTGPGMFZXOO-UHFFFAOYSA-N 0 0 248.326 3.856 20 30 BHEDRN C=CCNc1nc(-c2ccccc2F)cs1 ZINC000007843402 346667480 /nfs/dbraw/zinc/66/74/80/346667480.db2.gz LGQUTNZTPBZCTR-UHFFFAOYSA-N 0 0 234.299 3.547 20 30 BHEDRN C=C(C)[C@H]1CCC(C)=C(N=Nc2ccccn2)C1 ZINC000007858739 588603797 /nfs/dbraw/zinc/60/37/97/588603797.db2.gz ZYHIXFWEUCHNRU-ZDUSSCGKSA-N 0 0 241.338 3.782 20 30 BHEDRN C=C(C)[C@@H]1CCC(C)=C(N=Nc2ccccn2)C1 ZINC000007858740 588603813 /nfs/dbraw/zinc/60/38/13/588603813.db2.gz ZYHIXFWEUCHNRU-CYBMUJFWSA-N 0 0 241.338 3.782 20 30 BHEDRN N#Cc1ccc(/C=C/C(=O)C2CCCCC2)cc1 ZINC000007905586 588608064 /nfs/dbraw/zinc/60/80/64/588608064.db2.gz KPTXTTDRABVTOW-ZHACJKMWSA-N 0 0 239.318 3.721 20 30 BHEDRN O=C(/C=C/c1cccc(O)c1)C1CCCCC1 ZINC000007905592 588607971 /nfs/dbraw/zinc/60/79/71/588607971.db2.gz DFZGKWDDKCMMTF-MDZDMXLPSA-N 0 0 230.307 3.555 20 30 BHEDRN CCCC(CCC)N=Nc1cccc([N+](=O)[O-])c1 ZINC000007950159 643158633 /nfs/dbraw/zinc/15/86/33/643158633.db2.gz AKFAVHIHTRNFIR-UHFFFAOYSA-N 0 0 249.314 3.963 20 30 BHEDRN CC1CCC(N=Nc2cccc([N+](=O)[O-])c2)CC1 ZINC000007950174 643157540 /nfs/dbraw/zinc/15/75/40/643157540.db2.gz SBZVCQKEWSGYNZ-UHFFFAOYSA-N 0 0 247.298 3.573 20 30 BHEDRN O=[N+]([O-])c1cccc(N=NC2CCCCCC2)c1 ZINC000007950178 643158671 /nfs/dbraw/zinc/15/86/71/643158671.db2.gz VAJPLGHBAKEMAG-UHFFFAOYSA-N 0 0 247.298 3.717 20 30 BHEDRN Cc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1 ZINC000008187160 178354204 /nfs/dbraw/zinc/35/42/04/178354204.db2.gz ONRHRWDCYQMYNG-MDZDMXLPSA-N 0 0 238.286 3.597 20 30 BHEDRN C=CCNc1nc(-c2cccc(F)c2)cs1 ZINC000008296817 358089745 /nfs/dbraw/zinc/08/97/45/358089745.db2.gz KNTSATQPNHUXAX-UHFFFAOYSA-N 0 0 234.299 3.547 20 30 BHEDRN Cc1ccccc1/C=C/C(=O)c1cccc(O)c1 ZINC000008322407 711749470 /nfs/dbraw/zinc/74/94/70/711749470.db2.gz AISMGPOAXAQXCV-MDZDMXLPSA-N 0 0 238.286 3.597 20 30 BHEDRN Cc1cccc(/C=C/C(=O)c2cccc(O)c2)c1 ZINC000008322412 636757827 /nfs/dbraw/zinc/75/78/27/636757827.db2.gz DJZNLKBAXSJLKC-CMDGGOBGSA-N 0 0 238.286 3.597 20 30 BHEDRN Cc1ccc(/C=C/C(=O)c2cccc(O)c2)s1 ZINC000008322415 636757714 /nfs/dbraw/zinc/75/77/14/636757714.db2.gz DPNXXFZMUWTYNT-BQYQJAHWSA-N 0 0 244.315 3.658 20 30 BHEDRN Cc1ccccc1C(=O)/C=C/c1cccc(O)c1 ZINC000008322510 636758543 /nfs/dbraw/zinc/75/85/43/636758543.db2.gz KDKLKICVOANOGC-MDZDMXLPSA-N 0 0 238.286 3.597 20 30 BHEDRN Clc1cnc(N=NC2CCCC2)c(Cl)c1 ZINC000008341978 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259399752 /nfs/dbraw/zinc/39/97/52/259399752.db2.gz BPJMBVXRGNKDRQ-UHFFFAOYSA-N 0 0 249.313 3.626 20 30 BHEDRN Cc1ccc(CN(C)c2ccc(C#N)cc2)cc1 ZINC000020555957 371296376 /nfs/dbraw/zinc/29/63/76/371296376.db2.gz LGSUIKHBDXUGFX-UHFFFAOYSA-N 0 0 236.318 3.503 20 30 BHEDRN C[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2)[C@@H]1C ZINC000020556574 259399430 /nfs/dbraw/zinc/39/94/30/259399430.db2.gz QEHGJPMOEIHGPA-LALPHHSUSA-N 0 0 228.339 3.795 20 30 BHEDRN C[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2)[C@@H]1C ZINC000020556578 259399653 /nfs/dbraw/zinc/39/96/53/259399653.db2.gz QEHGJPMOEIHGPA-JMSVASOKSA-N 0 0 228.339 3.795 20 30 BHEDRN CC(C)CC[C@@H](C)Nc1ccc(C#N)cc1 ZINC000020561191 259399818 /nfs/dbraw/zinc/39/98/18/259399818.db2.gz KURPBUVPKORTAC-GFCCVEGCSA-N 0 0 216.328 3.795 20 30 BHEDRN CC(C)CC[C@H](C)Nc1ccc(C#N)cc1 ZINC000020561194 259399762 /nfs/dbraw/zinc/39/97/62/259399762.db2.gz KURPBUVPKORTAC-LBPRGKRZSA-N 0 0 216.328 3.795 20 30 BHEDRN CCCCCCC(=O)Nc1ccc(CC#N)cc1 ZINC000020976089 583923259 /nfs/dbraw/zinc/92/32/59/583923259.db2.gz RUALZDORTQCAFL-UHFFFAOYSA-N 0 0 244.338 3.662 20 30 BHEDRN c1ccc2nc(N=NC3CCCC3)ccc2c1 ZINC000020986000 643068416 /nfs/dbraw/zinc/06/84/16/643068416.db2.gz RTLLHNYYYHFBRL-UHFFFAOYSA-N 0 0 225.295 3.577 20 30 BHEDRN CCC(CC)N=Nc1ccc2ccccc2n1 ZINC000020986064 643068543 /nfs/dbraw/zinc/06/85/43/643068543.db2.gz WVOLNPLUVZWAJX-UHFFFAOYSA-N 0 0 227.311 3.823 20 30 BHEDRN C#Cc1cccc(N[C@H](C)[C@H](C)CC)c1 ZINC000021791872 590229713 /nfs/dbraw/zinc/22/97/13/590229713.db2.gz KPYLHGBJAOETIM-VXGBXAGGSA-N 0 0 201.313 3.514 20 30 BHEDRN C#Cc1cccc(N[C@H](C)[C@@H](C)CC)c1 ZINC000021791875 590229902 /nfs/dbraw/zinc/22/99/02/590229902.db2.gz KPYLHGBJAOETIM-NWDGAFQWSA-N 0 0 201.313 3.514 20 30 BHEDRN C#Cc1cccc(N[C@@H](C)[C@H](C)CC)c1 ZINC000021791879 590229923 /nfs/dbraw/zinc/22/99/23/590229923.db2.gz KPYLHGBJAOETIM-NEPJUHHUSA-N 0 0 201.313 3.514 20 30 BHEDRN C#Cc1cccc(N[C@@H](C)[C@@H](C)CC)c1 ZINC000021791883 590229576 /nfs/dbraw/zinc/22/95/76/590229576.db2.gz KPYLHGBJAOETIM-RYUDHWBXSA-N 0 0 201.313 3.514 20 30 BHEDRN C[C@@H](CNc1ccc(C#N)cc1)c1ccccc1 ZINC000021798663 343742550 /nfs/dbraw/zinc/74/25/50/343742550.db2.gz FONPZNUAZVRLPJ-ZDUSSCGKSA-N 0 0 236.318 3.774 20 30 BHEDRN C[C@H](CNc1ccc(C#N)cc1)c1ccccc1 ZINC000021798667 343742842 /nfs/dbraw/zinc/74/28/42/343742842.db2.gz FONPZNUAZVRLPJ-CYBMUJFWSA-N 0 0 236.318 3.774 20 30 BHEDRN C[C@@H](CNc1cccc(C#N)c1)c1ccccc1 ZINC000021810089 343743958 /nfs/dbraw/zinc/74/39/58/343743958.db2.gz DPJKIWYPQXPQRA-ZDUSSCGKSA-N 0 0 236.318 3.774 20 30 BHEDRN C[C@H](CNc1cccc(C#N)c1)c1ccccc1 ZINC000021810091 343743746 /nfs/dbraw/zinc/74/37/46/343743746.db2.gz DPJKIWYPQXPQRA-CYBMUJFWSA-N 0 0 236.318 3.774 20 30 BHEDRN C#Cc1cccc(NC[C@H](C)CCC)c1 ZINC000021815114 166223882 /nfs/dbraw/zinc/22/38/82/166223882.db2.gz IBFIFCINHKIQJH-GFCCVEGCSA-N 0 0 201.313 3.516 20 30 BHEDRN C#Cc1cccc(NC[C@@H](C)CCC)c1 ZINC000021815116 166224067 /nfs/dbraw/zinc/22/40/67/166224067.db2.gz IBFIFCINHKIQJH-LBPRGKRZSA-N 0 0 201.313 3.516 20 30 BHEDRN CCCCC[C@@H](C)Nc1ccc(C#N)cc1 ZINC000021817314 643261681 /nfs/dbraw/zinc/26/16/81/643261681.db2.gz DJBMRNRYDUQBNJ-GFCCVEGCSA-N 0 0 216.328 3.939 20 30 BHEDRN CCCCC[C@H](C)Nc1ccc(C#N)cc1 ZINC000021817316 643263724 /nfs/dbraw/zinc/26/37/24/643263724.db2.gz DJBMRNRYDUQBNJ-LBPRGKRZSA-N 0 0 216.328 3.939 20 30 BHEDRN Cc1cccc(C(=O)/C=C/c2cccc(C#N)c2)c1 ZINC000021957342 590262342 /nfs/dbraw/zinc/26/23/42/590262342.db2.gz RRVWYOMQIMKANN-CMDGGOBGSA-N 0 0 247.297 3.763 20 30 BHEDRN N#Cc1cccnc1Oc1ccc(F)c(Cl)c1 ZINC000022798000 181154357 /nfs/dbraw/zinc/15/43/57/181154357.db2.gz UPBOBZMZKSYOHZ-UHFFFAOYSA-N 0 0 248.644 3.538 20 30 BHEDRN Cc1cc(C)c(C#N)c(NC2CCCCCC2)n1 ZINC000022798187 342809264 /nfs/dbraw/zinc/80/92/64/342809264.db2.gz VDLLOJNYIQOMCQ-UHFFFAOYSA-N 0 0 243.354 3.705 20 30 BHEDRN C#Cc1cccc(NC(=O)CCC2CCCC2)c1 ZINC000022877634 590616822 /nfs/dbraw/zinc/61/68/22/590616822.db2.gz GIGFQIRXTOHGRA-UHFFFAOYSA-N 0 0 241.334 3.577 20 30 BHEDRN Cc1cccc(C(=O)/C=C/c2ccc(O)cc2)c1 ZINC000023164310 711604042 /nfs/dbraw/zinc/60/40/42/711604042.db2.gz MEFQWWTUOJVACW-JXMROGBWSA-N 0 0 238.286 3.597 20 30 BHEDRN Cc1cccc(C(=O)/C=C/c2ccc(C#N)cc2)c1 ZINC000023164359 711604351 /nfs/dbraw/zinc/60/43/51/711604351.db2.gz AHSHZLFHDYLNBD-MDZDMXLPSA-N 0 0 247.297 3.763 20 30 BHEDRN N#Cc1cccnc1N[C@H](c1ccccc1)C1CC1 ZINC000023616857 367995546 /nfs/dbraw/zinc/99/55/46/367995546.db2.gz FEXCAUUVRCTMMH-OAHLLOKOSA-N 0 0 249.317 3.516 20 30 BHEDRN N#Cc1cccnc1N[C@@H](c1ccccc1)C1CC1 ZINC000023616859 343066504 /nfs/dbraw/zinc/06/65/04/343066504.db2.gz FEXCAUUVRCTMMH-HNNXBMFYSA-N 0 0 249.317 3.516 20 30 BHEDRN C=CCc1ccccc1OCc1c(C)noc1C ZINC000024547984 134238495 /nfs/dbraw/zinc/23/84/95/134238495.db2.gz MAFZUBNDAYKQAQ-UHFFFAOYSA-N 0 0 243.306 3.599 20 30 BHEDRN C#Cc1cccc(NC(=O)c2cc(C)ccc2C)c1 ZINC000025157869 591325740 /nfs/dbraw/zinc/32/57/40/591325740.db2.gz IIQPYWKLXVMSPU-UHFFFAOYSA-N 0 0 249.313 3.537 20 30 BHEDRN Cc1cc(C)c(C#N)c(NC2CCC(C)CC2)n1 ZINC000025369902 350991784 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3.558 20 30 BHEDRN C=CCOc1cccc(Cl)c1Cl ZINC000032296756 372173903 /nfs/dbraw/zinc/17/39/03/372173903.db2.gz JEQWQCYJSRVOJJ-UHFFFAOYSA-N 0 0 203.068 3.558 20 30 BHEDRN C=CCOc1ccc(Cl)c(Cl)c1 ZINC000032296760 387546105 /nfs/dbraw/zinc/54/61/05/387546105.db2.gz VRRJGZVUIAUUOE-UHFFFAOYSA-N 0 0 203.068 3.558 20 30 BHEDRN Cc1ccc(C(=O)/C=C/c2ccc(O)cc2)s1 ZINC000032531683 641351624 /nfs/dbraw/zinc/35/16/24/641351624.db2.gz NCGDYPSHSXAXCH-VMPITWQZSA-N 0 0 244.315 3.658 20 30 BHEDRN Cc1ccc(C(=O)/C=C/c2cccc(O)c2)s1 ZINC000032531690 641351762 /nfs/dbraw/zinc/35/17/62/641351762.db2.gz XQAVHHNTDYUFSD-VOTSOKGWSA-N 0 0 244.315 3.658 20 30 BHEDRN N#Cc1ccc(SC2CCCC2)c([N+](=O)[O-])c1 ZINC000032533609 352136362 /nfs/dbraw/zinc/13/63/62/352136362.db2.gz IWXDUFULIHRDEH-UHFFFAOYSA-N 0 0 248.307 3.501 20 30 BHEDRN C=CCSc1ccc2ccccc2n1 ZINC000032537674 187208437 /nfs/dbraw/zinc/20/84/37/187208437.db2.gz JMSFWBMDDAYXRZ-UHFFFAOYSA-N 0 0 201.294 3.513 20 30 BHEDRN O=C(/C=C\c1ccccc1)c1ccsc1 ZINC000033373976 181849482 /nfs/dbraw/zinc/84/94/82/181849482.db2.gz ZYHMZJWJKIZTKS-SREVYHEPSA-N 0 0 214.289 3.644 20 30 BHEDRN O=C(/C=C/C=C\c1ccccc1)c1ccncc1 ZINC000033391116 181835089 /nfs/dbraw/zinc/83/50/89/181835089.db2.gz NIKAUDXSENSZCT-MVTUOISNSA-N 0 0 235.286 3.534 20 30 BHEDRN CSc1ccc(/C=C\C(=O)c2ccco2)cc1 ZINC000033424374 642138776 /nfs/dbraw/zinc/13/87/76/642138776.db2.gz SCYQNFXYHAEOPR-TWGQIWQCSA-N 0 0 244.315 3.898 20 30 BHEDRN N#Cc1ccc(/C=C\C(=O)c2cccs2)cc1 ZINC000033462179 642162260 /nfs/dbraw/zinc/16/22/60/642162260.db2.gz UXNJASRGPZSIAN-FPLPWBNLSA-N 0 0 239.299 3.516 20 30 BHEDRN CCOc1ccc(/C=C\C(=O)c2ccco2)cc1 ZINC000033462347 170535471 /nfs/dbraw/zinc/53/54/71/170535471.db2.gz IWQLZGSBLRKLIV-YFHOEESVSA-N 0 0 242.274 3.574 20 30 BHEDRN Cc1ccc(C)c(/C=C\C(=O)c2cccnc2)c1 ZINC000033472176 642168549 /nfs/dbraw/zinc/16/85/49/642168549.db2.gz YTEMCSSISGARGN-FPLPWBNLSA-N 0 0 237.302 3.595 20 30 BHEDRN Cc1ccc(/C=C\C(=O)c2ccccc2)s1 ZINC000033473015 178358137 /nfs/dbraw/zinc/35/81/37/178358137.db2.gz UYUZTWAUXXENAV-KTKRTIGZSA-N 0 0 228.316 3.953 20 30 BHEDRN Cc1cccc(/C=C\C(=O)c2cccc(O)c2)c1 ZINC000033476771 642171599 /nfs/dbraw/zinc/17/15/99/642171599.db2.gz DJZNLKBAXSJLKC-HJWRWDBZSA-N 0 0 238.286 3.597 20 30 BHEDRN Cc1cc2nc(-c3ccc(C#N)cc3)[nH]c2cc1C ZINC000033559184 178300211 /nfs/dbraw/zinc/30/02/11/178300211.db2.gz JUNYAQMKXZTNQE-UHFFFAOYSA-N 0 0 247.301 3.718 20 30 BHEDRN Cc1ccc(C(=O)/C=C\c2ccc(C)cc2)o1 ZINC000033572259 178357367 /nfs/dbraw/zinc/35/73/67/178357367.db2.gz CFQRCOPTFLDDAS-HJWRWDBZSA-N 0 0 226.275 3.793 20 30 BHEDRN C=CCc1ccc(OCCCC)c(OC)c1 ZINC000033607537 387137476 /nfs/dbraw/zinc/13/74/76/387137476.db2.gz UHKLUPWESCIICB-UHFFFAOYSA-N 0 0 220.312 3.603 20 30 BHEDRN C=C(C)CN(CC)C(=O)Nc1cc(C)cc(C)c1 ZINC000033612883 134161048 /nfs/dbraw/zinc/16/10/48/134161048.db2.gz FOCKCQSZTHWWDK-UHFFFAOYSA-N 0 0 246.354 3.733 20 30 BHEDRN C=C(C)CN(CC)C(=O)Nc1ccc(CC)cc1 ZINC000033613825 350242315 /nfs/dbraw/zinc/24/23/15/350242315.db2.gz 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168930844 /nfs/dbraw/zinc/93/08/44/168930844.db2.gz AOMFMAHAJZNHNR-UHFFFAOYSA-N 0 0 205.326 3.592 20 30 BHEDRN CCCCSCc1ccccc1C#N ZINC000035151663 355857470 /nfs/dbraw/zinc/85/74/70/355857470.db2.gz KSUULUSHRAGBQB-UHFFFAOYSA-N 0 0 205.326 3.592 20 30 BHEDRN CCCCSCc1ccc(C#N)cc1 ZINC000035151687 168930556 /nfs/dbraw/zinc/93/05/56/168930556.db2.gz DCSMSQZWESNOEF-UHFFFAOYSA-N 0 0 205.326 3.592 20 30 BHEDRN CCCCSCc1ccc(C#N)cc1F ZINC000035175812 386510492 /nfs/dbraw/zinc/51/04/92/386510492.db2.gz HKWIFFRKESUGKK-UHFFFAOYSA-N 0 0 223.316 3.731 20 30 BHEDRN CCCCSCc1cc(C#N)ccc1F ZINC000035175814 342884856 /nfs/dbraw/zinc/88/48/56/342884856.db2.gz NCOKJPVQBOOPTB-UHFFFAOYSA-N 0 0 223.316 3.731 20 30 BHEDRN N#Cc1cc(NCc2ccccc2)ccc1Cl ZINC000035224455 387505404 /nfs/dbraw/zinc/50/54/04/387505404.db2.gz BBPLMASFJZIUPU-UHFFFAOYSA-N 0 0 242.709 3.824 20 30 BHEDRN C[C@@H]1CCC[C@H](Nc2cccc(F)c2C#N)C1 ZINC000035237044 176145204 /nfs/dbraw/zinc/14/52/04/176145204.db2.gz CQPCORDZCXSWJQ-MNOVXSKESA-N 0 0 232.302 3.688 20 30 BHEDRN C[C@H]1CCC[C@H](Nc2cccc(F)c2C#N)C1 ZINC000035237045 177138411 /nfs/dbraw/zinc/13/84/11/177138411.db2.gz CQPCORDZCXSWJQ-QWRGUYRKSA-N 0 0 232.302 3.688 20 30 BHEDRN C[C@@H]1CCC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC000035237046 176124173 /nfs/dbraw/zinc/12/41/73/176124173.db2.gz CQPCORDZCXSWJQ-GHMZBOCLSA-N 0 0 232.302 3.688 20 30 BHEDRN C[C@H]1CCC[C@@H](Nc2cccc(F)c2C#N)C1 ZINC000035237047 188285298 /nfs/dbraw/zinc/28/52/98/188285298.db2.gz CQPCORDZCXSWJQ-WDEREUQCSA-N 0 0 232.302 3.688 20 30 BHEDRN C#Cc1cccc(N[C@@H](C)CCc2ccco2)c1 ZINC000035450484 166223876 /nfs/dbraw/zinc/22/38/76/166223876.db2.gz QQOMWMNWUOAQGZ-ZDUSSCGKSA-N 0 0 239.318 3.694 20 30 BHEDRN C#Cc1cccc(N[C@H](C)CCc2ccco2)c1 ZINC000035450488 646437116 /nfs/dbraw/zinc/43/71/16/646437116.db2.gz QQOMWMNWUOAQGZ-CYBMUJFWSA-N 0 0 239.318 3.694 20 30 BHEDRN C[C@@H](CCc1ccco1)Nc1cccc(C#N)c1 ZINC000035451144 175688573 /nfs/dbraw/zinc/68/85/73/175688573.db2.gz IAKBEZJMBYHPGA-LBPRGKRZSA-N 0 0 240.306 3.584 20 30 BHEDRN C[C@H](CCc1ccco1)Nc1cccc(C#N)c1 ZINC000035451147 176642228 /nfs/dbraw/zinc/64/22/28/176642228.db2.gz IAKBEZJMBYHPGA-GFCCVEGCSA-N 0 0 240.306 3.584 20 30 BHEDRN C=CCCCOc1cccc(Br)c1 ZINC000035785261 387581447 /nfs/dbraw/zinc/58/14/47/387581447.db2.gz IYYDLYRVOQTZME-UHFFFAOYSA-N 0 0 241.128 3.794 20 30 BHEDRN CC[C@@H]1CCCCN1c1ccc(C#N)c(Cl)c1 ZINC000035898608 132268715 /nfs/dbraw/zinc/26/87/15/132268715.db2.gz UARPMQAFYIRPHK-GFCCVEGCSA-N 0 0 248.757 3.981 20 30 BHEDRN CC[C@H]1CCCCN1c1ccc(C#N)c(Cl)c1 ZINC000035898609 132268757 /nfs/dbraw/zinc/26/87/57/132268757.db2.gz UARPMQAFYIRPHK-LBPRGKRZSA-N 0 0 248.757 3.981 20 30 BHEDRN N#Cc1ccc(NC/C=C/c2ccccc2)cc1 ZINC000035923919 181119699 /nfs/dbraw/zinc/11/96/99/181119699.db2.gz QNYXJMZKNZDMPK-QPJJXVBHSA-N 0 0 234.302 3.684 20 30 BHEDRN CC[C@@H](C)[C@@H](C)Nc1cccc(F)c1C#N ZINC000036138439 170775243 /nfs/dbraw/zinc/77/52/43/170775243.db2.gz MMUPHIUDQDMMMR-NXEZZACHSA-N 0 0 220.291 3.544 20 30 BHEDRN CC[C@H](C)[C@@H](C)Nc1cccc(F)c1C#N ZINC000036138441 171367506 /nfs/dbraw/zinc/36/75/06/171367506.db2.gz MMUPHIUDQDMMMR-VHSXEESVSA-N 0 0 220.291 3.544 20 30 BHEDRN CC[C@@H](C)[C@H](C)Nc1cccc(F)c1C#N ZINC000036138443 170792352 /nfs/dbraw/zinc/79/23/52/170792352.db2.gz MMUPHIUDQDMMMR-ZJUUUORDSA-N 0 0 220.291 3.544 20 30 BHEDRN CC[C@H](C)[C@H](C)Nc1cccc(F)c1C#N ZINC000036138445 171391473 /nfs/dbraw/zinc/39/14/73/171391473.db2.gz MMUPHIUDQDMMMR-UWVGGRQHSA-N 0 0 220.291 3.544 20 30 BHEDRN Cc1ccc(CNc2cccc(F)c2C#N)s1 ZINC000036138468 178639666 /nfs/dbraw/zinc/63/96/66/178639666.db2.gz RDXXHZDWTHNBET-UHFFFAOYSA-N 0 0 246.310 3.679 20 30 BHEDRN CCC(CC)CNc1cccc(F)c1C#N ZINC000036138626 322901205 /nfs/dbraw/zinc/90/12/05/322901205.db2.gz GIGSUMSVMMAPBC-UHFFFAOYSA-N 0 0 220.291 3.545 20 30 BHEDRN CC(C)CC[C@@H](C)Nc1cccc(F)c1C#N ZINC000036138675 166895070 /nfs/dbraw/zinc/89/50/70/166895070.db2.gz FDWITOFYKKTSHA-LLVKDONJSA-N 0 0 234.318 3.934 20 30 BHEDRN CC(C)CC[C@H](C)Nc1cccc(F)c1C#N ZINC000036138677 360636312 /nfs/dbraw/zinc/63/63/12/360636312.db2.gz FDWITOFYKKTSHA-NSHDSACASA-N 0 0 234.318 3.934 20 30 BHEDRN CC(C)C[C@@H](C)Nc1cccc(F)c1C#N ZINC000036138811 188060905 /nfs/dbraw/zinc/06/09/05/188060905.db2.gz IUTAUOVYUUBXNA-SNVBAGLBSA-N 0 0 220.291 3.544 20 30 BHEDRN CC(C)C[C@H](C)Nc1cccc(F)c1C#N ZINC000036138813 188060430 /nfs/dbraw/zinc/06/04/30/188060430.db2.gz IUTAUOVYUUBXNA-JTQLQIEISA-N 0 0 220.291 3.544 20 30 BHEDRN Cc1ccc(COc2ccc(C#N)cc2C)cc1 ZINC000036194438 188112412 /nfs/dbraw/zinc/11/24/12/188112412.db2.gz HWPNITNIEIJZPU-UHFFFAOYSA-N 0 0 237.302 3.754 20 30 BHEDRN Cc1cc(C#N)ccc1OCc1ccc(F)cc1 ZINC000036194572 360711094 /nfs/dbraw/zinc/71/10/94/360711094.db2.gz OCIRZNINVDOPDH-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1ccccc1COc1ccc(C#N)cc1C ZINC000036194667 179285506 /nfs/dbraw/zinc/28/55/06/179285506.db2.gz URPWXSUNNFWYHX-UHFFFAOYSA-N 0 0 237.302 3.754 20 30 BHEDRN CC(C)c1cccc(C(C)C)c1NC(=O)CC#N ZINC000036240552 342898889 /nfs/dbraw/zinc/89/88/89/342898889.db2.gz ATBQLAUXHUNNTD-UHFFFAOYSA-N 0 0 244.338 3.786 20 30 BHEDRN CCCC(CCC)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000036274850 640452103 /nfs/dbraw/zinc/45/21/03/640452103.db2.gz PLNYITGJRDBMBB-UHFFFAOYSA-N 0 0 249.314 3.963 20 30 BHEDRN O=[N+]([O-])c1ccc(N=NC2CCCCCC2)cc1 ZINC000036274852 640452927 /nfs/dbraw/zinc/45/29/27/640452927.db2.gz WCYFODLKUTVBBF-UHFFFAOYSA-N 0 0 247.298 3.717 20 30 BHEDRN CCCCSCCCOc1ccc(C#N)cc1 ZINC000036333061 640495904 /nfs/dbraw/zinc/49/59/04/640495904.db2.gz KCSZYDARIGEGDE-UHFFFAOYSA-N 0 0 249.379 3.860 20 30 BHEDRN CCCCSCCCOc1cccc(C#N)c1 ZINC000036333062 387913244 /nfs/dbraw/zinc/91/32/44/387913244.db2.gz UEUCWMDUHQAPAZ-UHFFFAOYSA-N 0 0 249.379 3.860 20 30 BHEDRN N#Cc1c(F)cccc1Sc1ccc(O)cc1 ZINC000036427757 181077704 /nfs/dbraw/zinc/07/77/04/181077704.db2.gz OJBLNZBCOXXYBB-UHFFFAOYSA-N 0 0 245.278 3.554 20 30 BHEDRN C=CCOc1ccccc1-c1ccccc1 ZINC000036437402 361137335 /nfs/dbraw/zinc/13/73/35/361137335.db2.gz YICXPBLPCKUFMS-UHFFFAOYSA-N 0 0 210.276 3.918 20 30 BHEDRN N#Cc1cccc(SCc2ccccc2)c1 ZINC000036489816 387878708 /nfs/dbraw/zinc/87/87/08/387878708.db2.gz MIXODDGMDOPNLQ-UHFFFAOYSA-N 0 0 225.316 3.851 20 30 BHEDRN Cc1ccc(Cl)c(Oc2ccc(C#N)cn2)c1 ZINC000036668846 397961966 /nfs/dbraw/zinc/96/19/66/397961966.db2.gz QXEUDWWNBNGGOP-UHFFFAOYSA-N 0 0 244.681 3.707 20 30 BHEDRN CC[C@@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000036805541 170760157 /nfs/dbraw/zinc/76/01/57/170760157.db2.gz PWUVHGJXVZNBHT-MRVPVSSYSA-N 0 0 242.244 3.787 20 30 BHEDRN CC[C@H](C)Nc1ccc(C#N)c(C(F)(F)F)c1 ZINC000036805542 171349515 /nfs/dbraw/zinc/34/95/15/171349515.db2.gz PWUVHGJXVZNBHT-QMMMGPOBSA-N 0 0 242.244 3.787 20 30 BHEDRN N#Cc1cccc(NC2CC(c3ccccc3)C2)c1 ZINC000036840413 384460078 /nfs/dbraw/zinc/46/00/78/384460078.db2.gz GSDGYTRSVDOKGW-UHFFFAOYSA-N 0 0 248.329 3.916 20 30 BHEDRN N#Cc1ccc(NC2CC(c3ccccc3)C2)cc1 ZINC000036840428 181119154 /nfs/dbraw/zinc/11/91/54/181119154.db2.gz GNXMFPDPUWRPEK-UHFFFAOYSA-N 0 0 248.329 3.916 20 30 BHEDRN C[C@H](Oc1ccc(C#N)cc1F)c1ccccc1 ZINC000036886796 712512030 /nfs/dbraw/zinc/51/20/30/712512030.db2.gz QYAGGUMHQGMXQH-NSHDSACASA-N 0 0 241.265 3.837 20 30 BHEDRN C[C@@H](Oc1ccc(C#N)cc1F)c1ccccc1 ZINC000036886797 712511882 /nfs/dbraw/zinc/51/18/82/712511882.db2.gz QYAGGUMHQGMXQH-LLVKDONJSA-N 0 0 241.265 3.837 20 30 BHEDRN CC(C)C[C@@H](C)Oc1ccc(C#N)cc1F ZINC000036886811 188113155 /nfs/dbraw/zinc/11/31/55/188113155.db2.gz JUBUVRPYDAKHNI-SNVBAGLBSA-N 0 0 221.275 3.511 20 30 BHEDRN CC(C)C[C@H](C)Oc1ccc(C#N)cc1F ZINC000036886812 187258954 /nfs/dbraw/zinc/25/89/54/187258954.db2.gz JUBUVRPYDAKHNI-JTQLQIEISA-N 0 0 221.275 3.511 20 30 BHEDRN CC(C)CCCOc1ccc(C#N)cc1F ZINC000036886900 387992915 /nfs/dbraw/zinc/99/29/15/387992915.db2.gz QXDRDDCPIMULHN-UHFFFAOYSA-N 0 0 221.275 3.512 20 30 BHEDRN CCCCCCOc1ccc(C#N)cc1F ZINC000036886902 168671209 /nfs/dbraw/zinc/67/12/09/168671209.db2.gz WEKBMDBZXSMPBD-UHFFFAOYSA-N 0 0 221.275 3.656 20 30 BHEDRN N#Cc1ccc(SCc2ccccc2)c(F)c1 ZINC000036886948 387992563 /nfs/dbraw/zinc/99/25/63/387992563.db2.gz ZLTNHELUTVOVCS-UHFFFAOYSA-N 0 0 243.306 3.990 20 30 BHEDRN CC[C@@H](C)Sc1ccc(C#N)cc1F ZINC000036886978 361576467 /nfs/dbraw/zinc/57/64/67/361576467.db2.gz KAYWASVTDFYEDQ-MRVPVSSYSA-N 0 0 209.289 3.588 20 30 BHEDRN CC[C@H](C)Sc1ccc(C#N)cc1F ZINC000036886979 171356897 /nfs/dbraw/zinc/35/68/97/171356897.db2.gz KAYWASVTDFYEDQ-QMMMGPOBSA-N 0 0 209.289 3.588 20 30 BHEDRN CCCCSc1ccc(C#N)cc1F ZINC000036886998 384461716 /nfs/dbraw/zinc/46/17/16/384461716.db2.gz YWSTXWQMSWLWNU-UHFFFAOYSA-N 0 0 209.289 3.590 20 30 BHEDRN C#Cc1cccc(NCc2cccc(F)c2F)c1 ZINC000036888485 712512289 /nfs/dbraw/zinc/51/22/89/712512289.db2.gz IMHLKRRVSRBBGY-UHFFFAOYSA-N 0 0 243.256 3.558 20 30 BHEDRN CC[C@@H](C)Nc1ccc(C(F)(F)F)cc1C#N ZINC000036926878 361579517 /nfs/dbraw/zinc/57/95/17/361579517.db2.gz OQDSXHFXARXQSE-MRVPVSSYSA-N 0 0 242.244 3.787 20 30 BHEDRN CC[C@H](C)Nc1ccc(C(F)(F)F)cc1C#N ZINC000036926879 171349440 /nfs/dbraw/zinc/34/94/40/171349440.db2.gz OQDSXHFXARXQSE-QMMMGPOBSA-N 0 0 242.244 3.787 20 30 BHEDRN CC(C)CNc1ccc(C(F)(F)F)cc1C#N ZINC000036926880 167017063 /nfs/dbraw/zinc/01/70/63/167017063.db2.gz GSLXSDKTHWBAEA-UHFFFAOYSA-N 0 0 242.244 3.645 20 30 BHEDRN CCCCNc1ccc(C(F)(F)F)cc1C#N ZINC000036926901 384977507 /nfs/dbraw/zinc/97/75/07/384977507.db2.gz ZWHIEIZCIGZPGP-UHFFFAOYSA-N 0 0 242.244 3.789 20 30 BHEDRN CCCCCNc1cc(Cl)ccc1C#N ZINC000036954153 361582992 /nfs/dbraw/zinc/58/29/92/361582992.db2.gz LJLJQRDSDZYVGT-UHFFFAOYSA-N 0 0 222.719 3.814 20 30 BHEDRN N#Cc1ccc(Cl)cc1NC[C@H]1CC=CCC1 ZINC000036954172 388050755 /nfs/dbraw/zinc/05/07/55/388050755.db2.gz ARTZHGRLQSOSHF-NSHDSACASA-N 0 0 246.741 3.980 20 30 BHEDRN N#Cc1ccc(Cl)cc1NC[C@@H]1CC=CCC1 ZINC000036954173 388050704 /nfs/dbraw/zinc/05/07/04/388050704.db2.gz ARTZHGRLQSOSHF-LLVKDONJSA-N 0 0 246.741 3.980 20 30 BHEDRN N#Cc1ccc(Cl)cc1NCc1cccs1 ZINC000036954295 181111690 /nfs/dbraw/zinc/11/16/90/181111690.db2.gz VTZSJZSHXAWRRD-UHFFFAOYSA-N 0 0 248.738 3.885 20 30 BHEDRN N#Cc1ccc(Cl)cc1NCc1ccsc1 ZINC000036954305 181111868 /nfs/dbraw/zinc/11/18/68/181111868.db2.gz SZFFRDXRXVDDOW-UHFFFAOYSA-N 0 0 248.738 3.885 20 30 BHEDRN N#Cc1ccc(Cl)cc1NC(C1CC1)C1CC1 ZINC000036954478 181112001 /nfs/dbraw/zinc/11/20/01/181112001.db2.gz ZXFUAIYVLIFEMY-UHFFFAOYSA-N 0 0 246.741 3.812 20 30 BHEDRN N#Cc1ccc(NCc2ccccc2)cc1Cl ZINC000036963966 181123512 /nfs/dbraw/zinc/12/35/12/181123512.db2.gz WULOFIXFYMTSOS-UHFFFAOYSA-N 0 0 242.709 3.824 20 30 BHEDRN Cc1cc(C(C)(C)C)ccc1OCCC#N ZINC000036965516 388499643 /nfs/dbraw/zinc/49/96/43/388499643.db2.gz SFKYUAKLCGYZQP-UHFFFAOYSA-N 0 0 217.312 3.585 20 30 BHEDRN CC[C@@H](C)CNc1ccc(Cl)c(C#N)c1 ZINC000036972804 384466509 /nfs/dbraw/zinc/46/65/09/384466509.db2.gz WJIAXCWFXZSIER-SECBINFHSA-N 0 0 222.719 3.670 20 30 BHEDRN CC[C@H](C)CNc1ccc(Cl)c(C#N)c1 ZINC000036972806 384467688 /nfs/dbraw/zinc/46/76/88/384467688.db2.gz WJIAXCWFXZSIER-VIFPVBQESA-N 0 0 222.719 3.670 20 30 BHEDRN N#Cc1cc(NCc2cccs2)ccc1Cl ZINC000036972975 181091653 /nfs/dbraw/zinc/09/16/53/181091653.db2.gz QRWRCRMBTVRQFK-UHFFFAOYSA-N 0 0 248.738 3.885 20 30 BHEDRN Cc1ccc(CNc2ccc(Cl)c(C#N)c2)o1 ZINC000036972983 178638283 /nfs/dbraw/zinc/63/82/83/178638283.db2.gz UEZOAEKWVHLECN-UHFFFAOYSA-N 0 0 246.697 3.725 20 30 BHEDRN CC(C)CCNc1ccc(Cl)c(C#N)c1 ZINC000036972997 384467034 /nfs/dbraw/zinc/46/70/34/384467034.db2.gz QVCPTDXTHJWPQY-UHFFFAOYSA-N 0 0 222.719 3.670 20 30 BHEDRN CC(C)CNc1ccc(C#N)cc1C(F)(F)F ZINC000036973620 167016048 /nfs/dbraw/zinc/01/60/48/167016048.db2.gz SEJJQKCGAHNERM-UHFFFAOYSA-N 0 0 242.244 3.645 20 30 BHEDRN CCCCNc1ccc(C#N)cc1C(F)(F)F ZINC000036973760 388084318 /nfs/dbraw/zinc/08/43/18/388084318.db2.gz DVNQWSHSQPORDA-UHFFFAOYSA-N 0 0 242.244 3.789 20 30 BHEDRN CCCCC[C@@H](C)Nc1cccc(OCC#N)c1 ZINC000037069413 712533119 /nfs/dbraw/zinc/53/31/19/712533119.db2.gz RXEZLCNPFPRCOP-CYBMUJFWSA-N 0 0 246.354 3.970 20 30 BHEDRN CCCCC[C@H](C)Nc1cccc(OCC#N)c1 ZINC000037069414 712532884 /nfs/dbraw/zinc/53/28/84/712532884.db2.gz RXEZLCNPFPRCOP-ZDUSSCGKSA-N 0 0 246.354 3.970 20 30 BHEDRN CC1CCC(Nc2cccc(OCC#N)c2)CC1 ZINC000037069495 383935223 /nfs/dbraw/zinc/93/52/23/383935223.db2.gz AYTMIFVRUTZMSH-UHFFFAOYSA-N 0 0 244.338 3.580 20 30 BHEDRN N#CCOc1cccc(NC2CCCCCC2)c1 ZINC000037069496 133458506 /nfs/dbraw/zinc/45/85/06/133458506.db2.gz XTNCUUCXRUNFOK-UHFFFAOYSA-N 0 0 244.338 3.724 20 30 BHEDRN C[C@@H]1CCCC[C@@H]1Nc1cccc(OCC#N)c1 ZINC000037069507 383934232 /nfs/dbraw/zinc/93/42/32/383934232.db2.gz ABQHTOJBAXGDRF-DOMZBBRYSA-N 0 0 244.338 3.580 20 30 BHEDRN C[C@H]1CCCC[C@@H]1Nc1cccc(OCC#N)c1 ZINC000037069508 383935288 /nfs/dbraw/zinc/93/52/88/383935288.db2.gz ABQHTOJBAXGDRF-WFASDCNBSA-N 0 0 244.338 3.580 20 30 BHEDRN C[C@@H]1CCCC[C@H]1Nc1cccc(OCC#N)c1 ZINC000037069509 383935302 /nfs/dbraw/zinc/93/53/02/383935302.db2.gz ABQHTOJBAXGDRF-IUODEOHRSA-N 0 0 244.338 3.580 20 30 BHEDRN C[C@H]1CCCC[C@H]1Nc1cccc(OCC#N)c1 ZINC000037069510 383935924 /nfs/dbraw/zinc/93/59/24/383935924.db2.gz ABQHTOJBAXGDRF-SWLSCSKDSA-N 0 0 244.338 3.580 20 30 BHEDRN C[C@@H]1CCC[C@H](Nc2cccc(OCC#N)c2)C1 ZINC000037069515 712533051 /nfs/dbraw/zinc/53/30/51/712533051.db2.gz AOWBBAHDUPISAN-OLZOCXBDSA-N 0 0 244.338 3.580 20 30 BHEDRN C[C@H]1CCC[C@H](Nc2cccc(OCC#N)c2)C1 ZINC000037069516 712533144 /nfs/dbraw/zinc/53/31/44/712533144.db2.gz AOWBBAHDUPISAN-STQMWFEESA-N 0 0 244.338 3.580 20 30 BHEDRN C[C@@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)C1 ZINC000037069517 712533073 /nfs/dbraw/zinc/53/30/73/712533073.db2.gz AOWBBAHDUPISAN-CHWSQXEVSA-N 0 0 244.338 3.580 20 30 BHEDRN C[C@H]1CCC[C@@H](Nc2cccc(OCC#N)c2)C1 ZINC000037069518 712532926 /nfs/dbraw/zinc/53/29/26/712532926.db2.gz AOWBBAHDUPISAN-QWHCGFSZSA-N 0 0 244.338 3.580 20 30 BHEDRN N#CCOc1cccc(NCC2CCCCC2)c1 ZINC000037069540 383934991 /nfs/dbraw/zinc/93/49/91/383934991.db2.gz ZHQLEVIRZDAFLS-UHFFFAOYSA-N 0 0 244.338 3.581 20 30 BHEDRN CC(C)CC[C@@H](C)Nc1cccc(OCC#N)c1 ZINC000037069586 712533500 /nfs/dbraw/zinc/53/35/00/712533500.db2.gz QOECGNVMHJRJDF-CYBMUJFWSA-N 0 0 246.354 3.826 20 30 BHEDRN CC(C)CC[C@H](C)Nc1cccc(OCC#N)c1 ZINC000037069587 712533733 /nfs/dbraw/zinc/53/37/33/712533733.db2.gz QOECGNVMHJRJDF-ZDUSSCGKSA-N 0 0 246.354 3.826 20 30 BHEDRN CCCC(CCC)Nc1cccc(OCC#N)c1 ZINC000037069618 712533456 /nfs/dbraw/zinc/53/34/56/712533456.db2.gz SESYLKWUFOVLSJ-UHFFFAOYSA-N 0 0 246.354 3.970 20 30 BHEDRN CCC[C@@H](C)CNc1ccc(CC#N)cc1 ZINC000037071177 322902169 /nfs/dbraw/zinc/90/21/69/322902169.db2.gz SIIUMTWCHXXAIZ-GFCCVEGCSA-N 0 0 216.328 3.601 20 30 BHEDRN CCC[C@H](C)CNc1ccc(CC#N)cc1 ZINC000037071178 324245557 /nfs/dbraw/zinc/24/55/57/324245557.db2.gz SIIUMTWCHXXAIZ-LBPRGKRZSA-N 0 0 216.328 3.601 20 30 BHEDRN CC[C@@H](C)[C@@H](C)Nc1ccc(CC#N)cc1 ZINC000037071192 324245309 /nfs/dbraw/zinc/24/53/09/324245309.db2.gz WGMLUYCKHDMYMB-VXGBXAGGSA-N 0 0 216.328 3.599 20 30 BHEDRN CC[C@H](C)[C@@H](C)Nc1ccc(CC#N)cc1 ZINC000037071193 324246041 /nfs/dbraw/zinc/24/60/41/324246041.db2.gz WGMLUYCKHDMYMB-NWDGAFQWSA-N 0 0 216.328 3.599 20 30 BHEDRN CC[C@@H](C)[C@H](C)Nc1ccc(CC#N)cc1 ZINC000037071194 324245908 /nfs/dbraw/zinc/24/59/08/324245908.db2.gz WGMLUYCKHDMYMB-NEPJUHHUSA-N 0 0 216.328 3.599 20 30 BHEDRN CC[C@H](C)[C@H](C)Nc1ccc(CC#N)cc1 ZINC000037071195 324245544 /nfs/dbraw/zinc/24/55/44/324245544.db2.gz WGMLUYCKHDMYMB-RYUDHWBXSA-N 0 0 216.328 3.599 20 30 BHEDRN N#CCc1ccc(NC[C@H]2CC=CCC2)cc1 ZINC000037071202 324245884 /nfs/dbraw/zinc/24/58/84/324245884.db2.gz IZCNKMUZDYYRHK-AWEZNQCLSA-N 0 0 226.323 3.521 20 30 BHEDRN N#CCc1ccc(NC[C@@H]2CC=CCC2)cc1 ZINC000037071203 324245912 /nfs/dbraw/zinc/24/59/12/324245912.db2.gz IZCNKMUZDYYRHK-CQSZACIVSA-N 0 0 226.323 3.521 20 30 BHEDRN Cc1ccc(CNc2ccc(CC#N)cc2)s1 ZINC000037071206 358467972 /nfs/dbraw/zinc/46/79/72/358467972.db2.gz IMHRRQSCONNHPU-UHFFFAOYSA-N 0 0 242.347 3.735 20 30 BHEDRN CC1CCC(Nc2ccc(CC#N)cc2)CC1 ZINC000037071266 324245415 /nfs/dbraw/zinc/24/54/15/324245415.db2.gz KEFDLKAPGJBQEU-UHFFFAOYSA-N 0 0 228.339 3.743 20 30 BHEDRN N#CCc1ccc(NC2CCCCCC2)cc1 ZINC000037071267 324245788 /nfs/dbraw/zinc/24/57/88/324245788.db2.gz QGDBPBLDWMKVJN-UHFFFAOYSA-N 0 0 228.339 3.887 20 30 BHEDRN C[C@@H]1CCCC[C@@H]1Nc1ccc(CC#N)cc1 ZINC000037071278 324245550 /nfs/dbraw/zinc/24/55/50/324245550.db2.gz VPYVEJGSAKOPAR-DOMZBBRYSA-N 0 0 228.339 3.743 20 30 BHEDRN C[C@H]1CCCC[C@@H]1Nc1ccc(CC#N)cc1 ZINC000037071279 490168694 /nfs/dbraw/zinc/16/86/94/490168694.db2.gz VPYVEJGSAKOPAR-WFASDCNBSA-N 0 0 228.339 3.743 20 30 BHEDRN C[C@@H]1CCCC[C@H]1Nc1ccc(CC#N)cc1 ZINC000037071280 490168733 /nfs/dbraw/zinc/16/87/33/490168733.db2.gz VPYVEJGSAKOPAR-IUODEOHRSA-N 0 0 228.339 3.743 20 30 BHEDRN C[C@H]1CCCC[C@H]1Nc1ccc(CC#N)cc1 ZINC000037071281 324245501 /nfs/dbraw/zinc/24/55/01/324245501.db2.gz VPYVEJGSAKOPAR-SWLSCSKDSA-N 0 0 228.339 3.743 20 30 BHEDRN C[C@@H]1CCC[C@H](Nc2ccc(CC#N)cc2)C1 ZINC000037071286 324245516 /nfs/dbraw/zinc/24/55/16/324245516.db2.gz BMONKAXVBXOGAL-DOMZBBRYSA-N 0 0 228.339 3.743 20 30 BHEDRN C[C@H]1CCC[C@H](Nc2ccc(CC#N)cc2)C1 ZINC000037071287 324245891 /nfs/dbraw/zinc/24/58/91/324245891.db2.gz BMONKAXVBXOGAL-WFASDCNBSA-N 0 0 228.339 3.743 20 30 BHEDRN C[C@@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 ZINC000037071288 324246007 /nfs/dbraw/zinc/24/60/07/324246007.db2.gz BMONKAXVBXOGAL-IUODEOHRSA-N 0 0 228.339 3.743 20 30 BHEDRN C[C@H]1CCC[C@@H](Nc2ccc(CC#N)cc2)C1 ZINC000037071289 324245773 /nfs/dbraw/zinc/24/57/73/324245773.db2.gz BMONKAXVBXOGAL-SWLSCSKDSA-N 0 0 228.339 3.743 20 30 BHEDRN Cc1ccsc1CNc1ccc(CC#N)cc1 ZINC000037071303 358467302 /nfs/dbraw/zinc/46/73/02/358467302.db2.gz MXCIWOBEAZINOD-UHFFFAOYSA-N 0 0 242.347 3.735 20 30 BHEDRN CCC(CC)CNc1ccc(CC#N)cc1 ZINC000037071306 322902182 /nfs/dbraw/zinc/90/21/82/322902182.db2.gz STXXUYJUJSCXRY-UHFFFAOYSA-N 0 0 216.328 3.601 20 30 BHEDRN CC(C)CC[C@@H](C)Nc1ccc(CC#N)cc1 ZINC000037071356 324245756 /nfs/dbraw/zinc/24/57/56/324245756.db2.gz LCMXSFXPLAGRPN-CYBMUJFWSA-N 0 0 230.355 3.989 20 30 BHEDRN CC(C)CC[C@H](C)Nc1ccc(CC#N)cc1 ZINC000037071357 324245283 /nfs/dbraw/zinc/24/52/83/324245283.db2.gz LCMXSFXPLAGRPN-ZDUSSCGKSA-N 0 0 230.355 3.989 20 30 BHEDRN CC(C)C[C@@H](C)Nc1ccc(CC#N)cc1 ZINC000037071426 383933940 /nfs/dbraw/zinc/93/39/40/383933940.db2.gz GSVUIUSGXOVXBT-GFCCVEGCSA-N 0 0 216.328 3.599 20 30 BHEDRN CC(C)C[C@H](C)Nc1ccc(CC#N)cc1 ZINC000037071427 383934158 /nfs/dbraw/zinc/93/41/58/383934158.db2.gz GSVUIUSGXOVXBT-LBPRGKRZSA-N 0 0 216.328 3.599 20 30 BHEDRN N#CCc1ccc(N[C@H]2CCc3ccccc32)cc1 ZINC000037071462 187415492 /nfs/dbraw/zinc/41/54/92/187415492.db2.gz IIGKSLLXBTZSNF-KRWDZBQOSA-N 0 0 248.329 3.852 20 30 BHEDRN N#CCc1ccc(N[C@@H]2CCc3ccccc32)cc1 ZINC000037071463 384474098 /nfs/dbraw/zinc/47/40/98/384474098.db2.gz IIGKSLLXBTZSNF-QGZVFWFLSA-N 0 0 248.329 3.852 20 30 BHEDRN CC(C)(C)SCCCOc1cccc(C#N)c1 ZINC000037143705 712552181 /nfs/dbraw/zinc/55/21/81/712552181.db2.gz VFTIHVUFOKMQMN-UHFFFAOYSA-N 0 0 249.379 3.859 20 30 BHEDRN CC(C)(C)SCCCOc1ccc(C#N)cc1 ZINC000037143706 712552106 /nfs/dbraw/zinc/55/21/06/712552106.db2.gz RZNVFIOFVCYIRX-UHFFFAOYSA-N 0 0 249.379 3.859 20 30 BHEDRN CC(C)CSCCCOc1ccccc1C#N ZINC000037143741 324362589 /nfs/dbraw/zinc/36/25/89/324362589.db2.gz CSSHFZMOLLMVDS-UHFFFAOYSA-N 0 0 249.379 3.716 20 30 BHEDRN CC(C)CSCCCOc1cccc(C#N)c1 ZINC000037143742 324363034 /nfs/dbraw/zinc/36/30/34/324363034.db2.gz UDBMTIKEZYWIIS-UHFFFAOYSA-N 0 0 249.379 3.716 20 30 BHEDRN CC(C)CSCCCOc1ccc(C#N)cc1 ZINC000037143743 324362419 /nfs/dbraw/zinc/36/24/19/324362419.db2.gz YZSRLIKIMBXDID-UHFFFAOYSA-N 0 0 249.379 3.716 20 30 BHEDRN C#Cc1cccc(N[C@H](C)CCCC)c1 ZINC000037185160 711466686 /nfs/dbraw/zinc/46/66/86/711466686.db2.gz FRVUTLZVBHQPIV-GFCCVEGCSA-N 0 0 201.313 3.659 20 30 BHEDRN C#Cc1cccc(N[C@@H](C)CCCC)c1 ZINC000037185161 712552977 /nfs/dbraw/zinc/55/29/77/712552977.db2.gz FRVUTLZVBHQPIV-LBPRGKRZSA-N 0 0 201.313 3.659 20 30 BHEDRN C#Cc1cccc(N[C@@H](CC)C(C)C)c1 ZINC000037185162 712552861 /nfs/dbraw/zinc/55/28/61/712552861.db2.gz PETGKJRHNXVGAP-AWEZNQCLSA-N 0 0 201.313 3.514 20 30 BHEDRN C#Cc1cccc(N[C@H](CC)C(C)C)c1 ZINC000037185163 712552849 /nfs/dbraw/zinc/55/28/49/712552849.db2.gz PETGKJRHNXVGAP-CQSZACIVSA-N 0 0 201.313 3.514 20 30 BHEDRN C#Cc1cccc(N[C@@H]2CCc3ccccc3C2)c1 ZINC000037185202 712552924 /nfs/dbraw/zinc/55/29/24/712552924.db2.gz XTKJYQNNPMRVFK-GOSISDBHSA-N 0 0 247.341 3.637 20 30 BHEDRN C#Cc1cccc(N[C@H]2CCc3ccccc3C2)c1 ZINC000037185203 712553058 /nfs/dbraw/zinc/55/30/58/712553058.db2.gz XTKJYQNNPMRVFK-SFHVURJKSA-N 0 0 247.341 3.637 20 30 BHEDRN C#Cc1cccc(NCc2ccc(C)c(C)c2)c1 ZINC000037185218 712552824 /nfs/dbraw/zinc/55/28/24/712552824.db2.gz WIGXIDVJQDLFRV-UHFFFAOYSA-N 0 0 235.330 3.897 20 30 BHEDRN C#Cc1cccc(N[C@@H](C)c2cccc(C#N)c2)c1 ZINC000037185262 166223706 /nfs/dbraw/zinc/22/37/06/166223706.db2.gz CQUJFNXCVLUGRB-ZDUSSCGKSA-N 0 0 246.313 3.713 20 30 BHEDRN C#Cc1cccc(N[C@H](C)c2cccc(C#N)c2)c1 ZINC000037185263 712553007 /nfs/dbraw/zinc/55/30/07/712553007.db2.gz CQUJFNXCVLUGRB-CYBMUJFWSA-N 0 0 246.313 3.713 20 30 BHEDRN C[C@H](Nc1cccc(F)c1)c1cccc(C#N)c1 ZINC000037202749 324426746 /nfs/dbraw/zinc/42/67/46/324426746.db2.gz PCONGSUKYMQVNB-NSHDSACASA-N 0 0 240.281 3.870 20 30 BHEDRN C[C@@H](Nc1cccc(F)c1)c1cccc(C#N)c1 ZINC000037202750 324426712 /nfs/dbraw/zinc/42/67/12/324426712.db2.gz PCONGSUKYMQVNB-LLVKDONJSA-N 0 0 240.281 3.870 20 30 BHEDRN CCCC[C@@H](C)Nc1cccc(C#N)c1 ZINC000037203184 384489045 /nfs/dbraw/zinc/48/90/45/384489045.db2.gz LZDVNKONFOEMAI-LLVKDONJSA-N 0 0 202.301 3.549 20 30 BHEDRN CCCC[C@H](C)Nc1cccc(C#N)c1 ZINC000037203185 384488200 /nfs/dbraw/zinc/48/82/00/384488200.db2.gz LZDVNKONFOEMAI-NSHDSACASA-N 0 0 202.301 3.549 20 30 BHEDRN N#Cc1cccc(N[C@H]2CCc3ccccc3C2)c1 ZINC000037203225 322827526 /nfs/dbraw/zinc/82/75/26/322827526.db2.gz SVYZILYJJNBILF-KRWDZBQOSA-N 0 0 248.329 3.528 20 30 BHEDRN N#Cc1cccc(N[C@@H]2CCc3ccccc3C2)c1 ZINC000037203226 322827630 /nfs/dbraw/zinc/82/76/30/322827630.db2.gz SVYZILYJJNBILF-QGZVFWFLSA-N 0 0 248.329 3.528 20 30 BHEDRN Cc1ccc(CNc2cccc(C#N)c2)cc1C ZINC000037203241 388232685 /nfs/dbraw/zinc/23/26/85/388232685.db2.gz BFLQGOYKRVTXQD-UHFFFAOYSA-N 0 0 236.318 3.787 20 30 BHEDRN C[C@H](Nc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000037203284 348145538 /nfs/dbraw/zinc/14/55/38/348145538.db2.gz LWENEXLAHAPIOM-LBPRGKRZSA-N 0 0 247.301 3.603 20 30 BHEDRN C[C@@H](Nc1cccc(C#N)c1)c1cccc(C#N)c1 ZINC000037203285 348145513 /nfs/dbraw/zinc/14/55/13/348145513.db2.gz LWENEXLAHAPIOM-GFCCVEGCSA-N 0 0 247.301 3.603 20 30 BHEDRN N#CCCCCSc1ccc(N)cc1Cl ZINC000037204508 134602748 /nfs/dbraw/zinc/60/27/48/134602748.db2.gz IYGAPAXAFPWLFQ-UHFFFAOYSA-N 0 0 240.759 3.708 20 30 BHEDRN C=C(Cl)CSc1ccc(N)cc1Cl ZINC000037205102 344490462 /nfs/dbraw/zinc/49/04/62/344490462.db2.gz MTIKEGBBUHEXLI-UHFFFAOYSA-N 0 0 234.151 3.767 20 30 BHEDRN C=C(C)CSc1ccc(N)cc1Cl ZINC000037205104 533530874 /nfs/dbraw/zinc/53/08/74/533530874.db2.gz XKFGNYIQBSXZMI-UHFFFAOYSA-N 0 0 213.733 3.590 20 30 BHEDRN C[C@H](Nc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000037210691 324434787 /nfs/dbraw/zinc/43/47/87/324434787.db2.gz CSVUFFGZIBXPMJ-NSHDSACASA-N 0 0 240.281 3.870 20 30 BHEDRN C[C@@H](Nc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000037210692 388237360 /nfs/dbraw/zinc/23/73/60/388237360.db2.gz CSVUFFGZIBXPMJ-LLVKDONJSA-N 0 0 240.281 3.870 20 30 BHEDRN C[C@H](Nc1ccccc1F)c1cccc(C#N)c1 ZINC000037211331 361751402 /nfs/dbraw/zinc/75/14/02/361751402.db2.gz UDNAWSRBZYRKSO-NSHDSACASA-N 0 0 240.281 3.870 20 30 BHEDRN C[C@@H](Nc1ccccc1F)c1cccc(C#N)c1 ZINC000037211332 361751284 /nfs/dbraw/zinc/75/12/84/361751284.db2.gz UDNAWSRBZYRKSO-LLVKDONJSA-N 0 0 240.281 3.870 20 30 BHEDRN C[C@H](Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000037212115 324435781 /nfs/dbraw/zinc/43/57/81/324435781.db2.gz CGSMTMCZGQLUFP-LBPRGKRZSA-N 0 0 228.339 3.939 20 30 BHEDRN C[C@@H](Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000037212116 388237331 /nfs/dbraw/zinc/23/73/31/388237331.db2.gz CGSMTMCZGQLUFP-GFCCVEGCSA-N 0 0 228.339 3.939 20 30 BHEDRN Cc1ccc(CNc2ccc(C#N)cc2)cc1C ZINC000037212148 361747638 /nfs/dbraw/zinc/74/76/38/361747638.db2.gz RWYRVXKHYODZCG-UHFFFAOYSA-N 0 0 236.318 3.787 20 30 BHEDRN C[C@H](Nc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000037212188 176932097 /nfs/dbraw/zinc/93/20/97/176932097.db2.gz RPSLEZSKZGDIME-LBPRGKRZSA-N 0 0 247.301 3.603 20 30 BHEDRN C[C@@H](Nc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000037212189 188106445 /nfs/dbraw/zinc/10/64/45/188106445.db2.gz RPSLEZSKZGDIME-GFCCVEGCSA-N 0 0 247.301 3.603 20 30 BHEDRN C#Cc1cccc(NCc2cc(F)ccc2F)c1 ZINC000037228221 712554582 /nfs/dbraw/zinc/55/45/82/712554582.db2.gz PRPAGGABYXUORF-UHFFFAOYSA-N 0 0 243.256 3.558 20 30 BHEDRN CCCCC[C@H](NCCC#N)c1ccccc1 ZINC000037240273 712556620 /nfs/dbraw/zinc/55/66/20/712556620.db2.gz MVBFWZCGXRJMGR-HNNXBMFYSA-N 0 0 230.355 3.811 20 30 BHEDRN CCCCC[C@@H](NCCC#N)c1ccccc1 ZINC000037240276 712556475 /nfs/dbraw/zinc/55/64/75/712556475.db2.gz MVBFWZCGXRJMGR-OAHLLOKOSA-N 0 0 230.355 3.811 20 30 BHEDRN CCCc1ccc(Nc2ncccc2C#N)cc1 ZINC000037247908 712558359 /nfs/dbraw/zinc/55/83/59/712558359.db2.gz PDUWTGBHSPEQJD-UHFFFAOYSA-N 0 0 237.306 3.649 20 30 BHEDRN CCCc1ccc(Nc2ccc(C#N)cn2)cc1 ZINC000037250981 169572717 /nfs/dbraw/zinc/57/27/17/169572717.db2.gz NEGQYIBNQRWCNJ-UHFFFAOYSA-N 0 0 237.306 3.649 20 30 BHEDRN CCCC[C@@H](C)Nc1cccc(OCC#N)c1 ZINC000037300648 383966584 /nfs/dbraw/zinc/96/65/84/383966584.db2.gz AQJFAJBUYHAYIC-GFCCVEGCSA-N 0 0 232.327 3.580 20 30 BHEDRN CCCC[C@H](C)Nc1cccc(OCC#N)c1 ZINC000037300650 383969002 /nfs/dbraw/zinc/96/90/02/383969002.db2.gz AQJFAJBUYHAYIC-LBPRGKRZSA-N 0 0 232.327 3.580 20 30 BHEDRN CCCC[C@@H](C)Nc1ccc(CC#N)cc1 ZINC000037301879 383966534 /nfs/dbraw/zinc/96/65/34/383966534.db2.gz BFLNSKXKIVPEMF-GFCCVEGCSA-N 0 0 216.328 3.743 20 30 BHEDRN CCCC[C@H](C)Nc1ccc(CC#N)cc1 ZINC000037301881 383968792 /nfs/dbraw/zinc/96/87/92/383968792.db2.gz BFLNSKXKIVPEMF-LBPRGKRZSA-N 0 0 216.328 3.743 20 30 BHEDRN CC[C@H](Nc1ccc(CC#N)cc1)C(C)C ZINC000037301882 383967079 /nfs/dbraw/zinc/96/70/79/383967079.db2.gz URFXHAFVTBYNFI-AWEZNQCLSA-N 0 0 216.328 3.599 20 30 BHEDRN CC[C@@H](Nc1ccc(CC#N)cc1)C(C)C ZINC000037301884 383968701 /nfs/dbraw/zinc/96/87/01/383968701.db2.gz URFXHAFVTBYNFI-CQSZACIVSA-N 0 0 216.328 3.599 20 30 BHEDRN CC[C@@H](C)CNc1ccc(C#N)c(Cl)c1 ZINC000037393153 322828266 /nfs/dbraw/zinc/82/82/66/322828266.db2.gz RWNASEJBGGYOEV-SECBINFHSA-N 0 0 222.719 3.670 20 30 BHEDRN CC[C@H](C)CNc1ccc(C#N)c(Cl)c1 ZINC000037393154 322828357 /nfs/dbraw/zinc/82/83/57/322828357.db2.gz RWNASEJBGGYOEV-VIFPVBQESA-N 0 0 222.719 3.670 20 30 BHEDRN N#Cc1ccc(NC[C@H]2CC=CCC2)cc1Cl ZINC000037393166 324567151 /nfs/dbraw/zinc/56/71/51/324567151.db2.gz CMCAQKHVHFUGFW-NSHDSACASA-N 0 0 246.741 3.980 20 30 BHEDRN N#Cc1ccc(NC[C@@H]2CC=CCC2)cc1Cl ZINC000037393167 324567485 /nfs/dbraw/zinc/56/74/85/324567485.db2.gz CMCAQKHVHFUGFW-LLVKDONJSA-N 0 0 246.741 3.980 20 30 BHEDRN CCC[C@@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000037393186 342930104 /nfs/dbraw/zinc/93/01/04/342930104.db2.gz ROELGIQEQDPJHA-SECBINFHSA-N 0 0 222.719 3.812 20 30 BHEDRN CCC[C@H](C)Nc1ccc(C#N)c(Cl)c1 ZINC000037393187 342929993 /nfs/dbraw/zinc/92/99/93/342929993.db2.gz ROELGIQEQDPJHA-VIFPVBQESA-N 0 0 222.719 3.812 20 30 BHEDRN N#Cc1ccc(NC2CCCCC2)cc1Cl ZINC000037393198 181119196 /nfs/dbraw/zinc/11/91/96/181119196.db2.gz CYNPGFFFYOWGKH-UHFFFAOYSA-N 0 0 234.730 3.956 20 30 BHEDRN N#Cc1ccc(NCc2ccsc2)cc1Cl ZINC000037393328 181124662 /nfs/dbraw/zinc/12/46/62/181124662.db2.gz WFLXUCUEIPOEGW-UHFFFAOYSA-N 0 0 248.738 3.885 20 30 BHEDRN N#Cc1ccc(NCc2cccs2)cc1Cl ZINC000037393336 181123451 /nfs/dbraw/zinc/12/34/51/181123451.db2.gz HEJHNVQUOIORJX-UHFFFAOYSA-N 0 0 248.738 3.885 20 30 BHEDRN C[C@@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1F ZINC000037412570 323245557 /nfs/dbraw/zinc/24/55/57/323245557.db2.gz QBHDLIAFPBLTLO-MFKMUULPSA-N 0 0 232.302 3.688 20 30 BHEDRN C[C@H]1CCCC[C@@H]1Nc1ccc(C#N)cc1F ZINC000037412572 323245885 /nfs/dbraw/zinc/24/58/85/323245885.db2.gz QBHDLIAFPBLTLO-GWCFXTLKSA-N 0 0 232.302 3.688 20 30 BHEDRN C[C@@H]1CCCC[C@H]1Nc1ccc(C#N)cc1F ZINC000037412574 323245861 /nfs/dbraw/zinc/24/58/61/323245861.db2.gz QBHDLIAFPBLTLO-ZWNOBZJWSA-N 0 0 232.302 3.688 20 30 BHEDRN C[C@H]1CCCC[C@H]1Nc1ccc(C#N)cc1F ZINC000037412576 323246222 /nfs/dbraw/zinc/24/62/22/323246222.db2.gz QBHDLIAFPBLTLO-GXFFZTMASA-N 0 0 232.302 3.688 20 30 BHEDRN Cc1ccc(CNc2ccc(C#N)cc2F)cc1 ZINC000037412596 364012674 /nfs/dbraw/zinc/01/26/74/364012674.db2.gz YQZJQEKMQUJASQ-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN N#Cc1ccc(NC2CCCCCC2)c(F)c1 ZINC000037412608 323246196 /nfs/dbraw/zinc/24/61/96/323246196.db2.gz QYKIEIYFEXQZDS-UHFFFAOYSA-N 0 0 232.302 3.832 20 30 BHEDRN C[C@@H]1CCC[C@H](Nc2ccc(C#N)cc2F)C1 ZINC000037412614 176144872 /nfs/dbraw/zinc/14/48/72/176144872.db2.gz UCDCTHJBWLYKHA-PWSUYJOCSA-N 0 0 232.302 3.688 20 30 BHEDRN C[C@H]1CCC[C@H](Nc2ccc(C#N)cc2F)C1 ZINC000037412616 177138122 /nfs/dbraw/zinc/13/81/22/177138122.db2.gz UCDCTHJBWLYKHA-JQWIXIFHSA-N 0 0 232.302 3.688 20 30 BHEDRN C[C@@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)C1 ZINC000037412618 176124203 /nfs/dbraw/zinc/12/42/03/176124203.db2.gz UCDCTHJBWLYKHA-ZYHUDNBSSA-N 0 0 232.302 3.688 20 30 BHEDRN C[C@H]1CCC[C@@H](Nc2ccc(C#N)cc2F)C1 ZINC000037412620 323245899 /nfs/dbraw/zinc/24/58/99/323245899.db2.gz UCDCTHJBWLYKHA-CMPLNLGQSA-N 0 0 232.302 3.688 20 30 BHEDRN CC(C)C[C@@H](C)Nc1ccc(C#N)cc1F ZINC000037412624 388769973 /nfs/dbraw/zinc/76/99/73/388769973.db2.gz RACFEYOZLGPBLG-SNVBAGLBSA-N 0 0 220.291 3.544 20 30 BHEDRN CC(C)C[C@H](C)Nc1ccc(C#N)cc1F ZINC000037412626 388769320 /nfs/dbraw/zinc/76/93/20/388769320.db2.gz RACFEYOZLGPBLG-JTQLQIEISA-N 0 0 220.291 3.544 20 30 BHEDRN CCC(CC)Nc1c(C#N)cnc2ccccc21 ZINC000037413146 168394060 /nfs/dbraw/zinc/39/40/60/168394060.db2.gz ARQSEGGZNNOZRD-UHFFFAOYSA-N 0 0 239.322 3.707 20 30 BHEDRN N#Cc1ccc(NC(C2CC2)C2CC2)cc1Cl ZINC000037466885 181119619 /nfs/dbraw/zinc/11/96/19/181119619.db2.gz GOBKOEHAOMRAQQ-UHFFFAOYSA-N 0 0 246.741 3.812 20 30 BHEDRN N#Cc1ccccc1SC1CCCCC1 ZINC000037488301 322828625 /nfs/dbraw/zinc/82/86/25/322828625.db2.gz UTFNASPGZRJPSQ-UHFFFAOYSA-N 0 0 217.337 3.983 20 30 BHEDRN C=C(Cl)CNc1ccccc1Cl ZINC000037488403 348622423 /nfs/dbraw/zinc/62/24/23/348622423.db2.gz AUQCCKPFAIYATM-UHFFFAOYSA-N 0 0 202.084 3.504 20 30 BHEDRN C=C(Cl)CNc1cccc(Cl)c1C ZINC000037488473 348622160 /nfs/dbraw/zinc/62/21/60/348622160.db2.gz GLMHRSBKXFZDSL-UHFFFAOYSA-N 0 0 216.111 3.813 20 30 BHEDRN C=C(Cl)CNc1ccc(C)cc1Cl ZINC000037488482 348622523 /nfs/dbraw/zinc/62/25/23/348622523.db2.gz FSFIEKSKKQHOQY-UHFFFAOYSA-N 0 0 216.111 3.813 20 30 BHEDRN N#Cc1ccc(SC2CCCCC2)cc1 ZINC000037489110 409738174 /nfs/dbraw/zinc/73/81/74/409738174.db2.gz DBRDMIJGGTUCPG-UHFFFAOYSA-N 0 0 217.337 3.983 20 30 BHEDRN Cc1cc(C)c(C#N)c(NCCC2CCCC2)n1 ZINC000037492668 364076373 /nfs/dbraw/zinc/07/63/73/364076373.db2.gz QMRMKDMLBVVROV-UHFFFAOYSA-N 0 0 243.354 3.562 20 30 BHEDRN N#Cc1ccc(NCCC2CCCC2)cc1 ZINC000037501191 388886974 /nfs/dbraw/zinc/88/69/74/388886974.db2.gz ZVCYWBKRQOOVBR-UHFFFAOYSA-N 0 0 214.312 3.550 20 30 BHEDRN N#Cc1ccc(NCCC2CCCCC2)cc1 ZINC000037501526 388886019 /nfs/dbraw/zinc/88/60/19/388886019.db2.gz BUPPWGSULZIZDC-UHFFFAOYSA-N 0 0 228.339 3.941 20 30 BHEDRN CC(C)(C)CCNc1cccc(F)c1C#N ZINC000037502149 388886565 /nfs/dbraw/zinc/88/65/65/388886565.db2.gz YQEICGITQWIZBG-UHFFFAOYSA-N 0 0 220.291 3.545 20 30 BHEDRN C#Cc1cccc(NCc2ccc(Cl)o2)c1 ZINC000037503774 712658220 /nfs/dbraw/zinc/65/82/20/712658220.db2.gz VMCCFVKAUHAQMP-UHFFFAOYSA-N 0 0 231.682 3.526 20 30 BHEDRN C[C@H](Nc1ccc(C#N)cc1F)c1ccccc1 ZINC000037507373 364095726 /nfs/dbraw/zinc/09/57/26/364095726.db2.gz QKAGEGIFYRSMNA-NSHDSACASA-N 0 0 240.281 3.870 20 30 BHEDRN C[C@@H](Nc1ccc(C#N)cc1F)c1ccccc1 ZINC000037507374 364096114 /nfs/dbraw/zinc/09/61/14/364096114.db2.gz QKAGEGIFYRSMNA-LLVKDONJSA-N 0 0 240.281 3.870 20 30 BHEDRN N#Cc1ccc(NCC2CCCCC2)c(F)c1 ZINC000037507409 388886935 /nfs/dbraw/zinc/88/69/35/388886935.db2.gz AVVDMYHZDGEJSL-UHFFFAOYSA-N 0 0 232.302 3.690 20 30 BHEDRN CCCCCNc1c(C#N)cnc2ccccc21 ZINC000037507633 168720762 /nfs/dbraw/zinc/72/07/62/168720762.db2.gz FAKHBTGONYJLFM-UHFFFAOYSA-N 0 0 239.322 3.709 20 30 BHEDRN CC(C)CCNc1c(C#N)cnc2ccccc21 ZINC000037507634 388885073 /nfs/dbraw/zinc/88/50/73/388885073.db2.gz YHCQMDQABSUSOL-UHFFFAOYSA-N 0 0 239.322 3.564 20 30 BHEDRN N#CCc1ccc(NCc2ccc(Cl)o2)cc1 ZINC000037509102 358473803 /nfs/dbraw/zinc/47/38/03/358473803.db2.gz LLBLSLFYWVVXBG-UHFFFAOYSA-N 0 0 246.697 3.611 20 30 BHEDRN Cc1cccc(N(CC#N)Cc2ccccc2)c1 ZINC000037594021 323316900 /nfs/dbraw/zinc/31/69/00/323316900.db2.gz SHERQMQKVPSIDD-UHFFFAOYSA-N 0 0 236.318 3.525 20 30 BHEDRN C=C(Br)CSc1cccs1 ZINC000037625860 711584584 /nfs/dbraw/zinc/58/45/84/711584584.db2.gz BIILTLNGWDQPHA-UHFFFAOYSA-N 0 0 235.171 3.749 20 30 BHEDRN C#Cc1cccc(NCCC(C)(C)C)c1 ZINC000037731373 712752825 /nfs/dbraw/zinc/75/28/25/712752825.db2.gz FWEMZLQUTJUBHA-UHFFFAOYSA-N 0 0 201.313 3.516 20 30 BHEDRN Cc1cc(C#N)ccc1OC/C=C/c1ccccc1 ZINC000037733056 364563711 /nfs/dbraw/zinc/56/37/11/364563711.db2.gz OIXBHRFTIXVKLT-VMPITWQZSA-N 0 0 249.313 3.959 20 30 BHEDRN N#Cc1ccc(NCCC2CCCC2)c(F)c1 ZINC000037741466 324573958 /nfs/dbraw/zinc/57/39/58/324573958.db2.gz FELXUEWZEFTNPS-UHFFFAOYSA-N 0 0 232.302 3.690 20 30 BHEDRN C[C@H](Nc1cccc(OCCCC#N)c1)C1CC1 ZINC000037777343 384013903 /nfs/dbraw/zinc/01/39/03/384013903.db2.gz VJJDETYBIPEFTJ-LBPRGKRZSA-N 0 0 244.338 3.580 20 30 BHEDRN C[C@@H](Nc1cccc(OCCCC#N)c1)C1CC1 ZINC000037777344 384014373 /nfs/dbraw/zinc/01/43/73/384014373.db2.gz VJJDETYBIPEFTJ-GFCCVEGCSA-N 0 0 244.338 3.580 20 30 BHEDRN CCCCNc1cccc(OCCCC#N)c1 ZINC000037777354 168880238 /nfs/dbraw/zinc/88/02/38/168880238.db2.gz JEUJOTUENRSQLQ-UHFFFAOYSA-N 0 0 232.327 3.581 20 30 BHEDRN CC(C)[C@@H](C)Nc1cccc(OCCCC#N)c1 ZINC000037777363 167388514 /nfs/dbraw/zinc/38/85/14/167388514.db2.gz TZIUXOXSFZLZKC-CYBMUJFWSA-N 0 0 246.354 3.826 20 30 BHEDRN CC(C)[C@H](C)Nc1cccc(OCCCC#N)c1 ZINC000037777364 188288289 /nfs/dbraw/zinc/28/82/89/188288289.db2.gz TZIUXOXSFZLZKC-ZDUSSCGKSA-N 0 0 246.354 3.826 20 30 BHEDRN CCC(CC)Nc1cccc(OCCCC#N)c1 ZINC000037777373 168394051 /nfs/dbraw/zinc/39/40/51/168394051.db2.gz HIANBWNRTUHBQS-UHFFFAOYSA-N 0 0 246.354 3.970 20 30 BHEDRN N#CCCCOc1cccc(NC2CCCC2)c1 ZINC000037777379 384014899 /nfs/dbraw/zinc/01/48/99/384014899.db2.gz SEQIMTOTMBQMTQ-UHFFFAOYSA-N 0 0 244.338 3.724 20 30 BHEDRN CC(C)CCNc1cccc(OCCCC#N)c1 ZINC000037777409 387568322 /nfs/dbraw/zinc/56/83/22/387568322.db2.gz KQKDPGFOHIQSIX-UHFFFAOYSA-N 0 0 246.354 3.827 20 30 BHEDRN CC[C@@H](C)Nc1cccc(OCCCC#N)c1 ZINC000037777422 170760244 /nfs/dbraw/zinc/76/02/44/170760244.db2.gz PVBJWSPKRGQVLM-GFCCVEGCSA-N 0 0 232.327 3.580 20 30 BHEDRN CC[C@H](C)Nc1cccc(OCCCC#N)c1 ZINC000037777423 171350029 /nfs/dbraw/zinc/35/00/29/171350029.db2.gz PVBJWSPKRGQVLM-LBPRGKRZSA-N 0 0 232.327 3.580 20 30 BHEDRN CCC[C@@H](C)Nc1cccc(OCCCC#N)c1 ZINC000037777425 169372046 /nfs/dbraw/zinc/37/20/46/169372046.db2.gz OUHIWCLELZRTAK-CYBMUJFWSA-N 0 0 246.354 3.970 20 30 BHEDRN CCC[C@H](C)Nc1cccc(OCCCC#N)c1 ZINC000037777426 384014805 /nfs/dbraw/zinc/01/48/05/384014805.db2.gz OUHIWCLELZRTAK-ZDUSSCGKSA-N 0 0 246.354 3.970 20 30 BHEDRN CC[C@@H](C)CNc1cccc(OCCCC#N)c1 ZINC000037777471 358477447 /nfs/dbraw/zinc/47/74/47/358477447.db2.gz XEIUIPBDQNIDCK-CYBMUJFWSA-N 0 0 246.354 3.827 20 30 BHEDRN CC[C@H](C)CNc1cccc(OCCCC#N)c1 ZINC000037777472 171288602 /nfs/dbraw/zinc/28/86/02/171288602.db2.gz XEIUIPBDQNIDCK-ZDUSSCGKSA-N 0 0 246.354 3.827 20 30 BHEDRN CCCCCNc1cccc(OCCCC#N)c1 ZINC000037777490 358476990 /nfs/dbraw/zinc/47/69/90/358476990.db2.gz XOPYGZBOVBHSEL-UHFFFAOYSA-N 0 0 246.354 3.971 20 30 BHEDRN N#Cc1cccnc1Oc1ccc(F)cc1Cl ZINC000037854485 181154322 /nfs/dbraw/zinc/15/43/22/181154322.db2.gz YUJZNHPPUMTNMM-UHFFFAOYSA-N 0 0 248.644 3.538 20 30 BHEDRN Cc1ccccc1N[C@H](C#N)Cc1ccccc1 ZINC000037854906 350288226 /nfs/dbraw/zinc/28/82/26/350288226.db2.gz DEHDKWWPCJAJGO-HNNXBMFYSA-N 0 0 236.318 3.542 20 30 BHEDRN Cc1ccccc1N[C@@H](C#N)Cc1ccccc1 ZINC000037854907 350288248 /nfs/dbraw/zinc/28/82/48/350288248.db2.gz DEHDKWWPCJAJGO-OAHLLOKOSA-N 0 0 236.318 3.542 20 30 BHEDRN N#Cc1ccc(Oc2ccc(F)cc2Cl)nc1 ZINC000037855685 187462705 /nfs/dbraw/zinc/46/27/05/187462705.db2.gz GNFCTELQVAMNOZ-UHFFFAOYSA-N 0 0 248.644 3.538 20 30 BHEDRN CCC1CCC(CNc2ccc(C#N)cn2)CC1 ZINC000037906103 168515856 /nfs/dbraw/zinc/51/58/56/168515856.db2.gz ZLURXRQPUWUOJD-UHFFFAOYSA-N 0 0 243.354 3.582 20 30 BHEDRN CCC1CCC(CNc2ncccc2C#N)CC1 ZINC000037906165 342839273 /nfs/dbraw/zinc/83/92/73/342839273.db2.gz COYBYLFKMZUGNB-UHFFFAOYSA-N 0 0 243.354 3.582 20 30 BHEDRN Cc1ccccc1N[C@@H](C#N)C1CCCCC1 ZINC000037937934 179306221 /nfs/dbraw/zinc/30/62/21/179306221.db2.gz YPBFKRJCFTVUAG-HNNXBMFYSA-N 0 0 228.339 3.879 20 30 BHEDRN Cc1ccccc1N[C@H](C#N)C1CCCCC1 ZINC000037937935 179306907 /nfs/dbraw/zinc/30/69/07/179306907.db2.gz YPBFKRJCFTVUAG-OAHLLOKOSA-N 0 0 228.339 3.879 20 30 BHEDRN COc1ccccc1N[C@@H](C#N)C1CCCCC1 ZINC000037938663 175338891 /nfs/dbraw/zinc/33/88/91/175338891.db2.gz SSGLSFJHYOFVEI-AWEZNQCLSA-N 0 0 244.338 3.580 20 30 BHEDRN COc1ccccc1N[C@H](C#N)C1CCCCC1 ZINC000037938664 175339079 /nfs/dbraw/zinc/33/90/79/175339079.db2.gz SSGLSFJHYOFVEI-CQSZACIVSA-N 0 0 244.338 3.580 20 30 BHEDRN Cc1cc(C)cc(COc2ccc(C#N)cc2)c1 ZINC000037975912 360626257 /nfs/dbraw/zinc/62/62/57/360626257.db2.gz LYTKTJGKFUSAFQ-UHFFFAOYSA-N 0 0 237.302 3.754 20 30 BHEDRN Cc1cc(C)cc(COc2ccccc2C#N)c1 ZINC000037975918 360625580 /nfs/dbraw/zinc/62/55/80/360625580.db2.gz CRZPWHCHQAQYRC-UHFFFAOYSA-N 0 0 237.302 3.754 20 30 BHEDRN Cc1cc(C)cc(COc2cccc(C#N)c2)c1 ZINC000037975923 360625827 /nfs/dbraw/zinc/62/58/27/360625827.db2.gz ISCGZDSSZCUSBK-UHFFFAOYSA-N 0 0 237.302 3.754 20 30 BHEDRN Cc1cc(C)cc(CNc2cccc(C#N)c2)c1 ZINC000037978628 387787206 /nfs/dbraw/zinc/78/72/06/387787206.db2.gz YDUNWPSJUYWTAQ-UHFFFAOYSA-N 0 0 236.318 3.787 20 30 BHEDRN N#Cc1ccc(CSc2ccc(O)cc2)cc1 ZINC000037995575 324585645 /nfs/dbraw/zinc/58/56/45/324585645.db2.gz UYDIKNOKOYEETI-UHFFFAOYSA-N 0 0 241.315 3.556 20 30 BHEDRN N#Cc1cccc(CSc2ccc(O)cc2)c1 ZINC000037995754 387907242 /nfs/dbraw/zinc/90/72/42/387907242.db2.gz JHCAEKWJANTBCI-UHFFFAOYSA-N 0 0 241.315 3.556 20 30 BHEDRN N#Cc1ccccc1CSc1ccc(O)cc1 ZINC000037995793 387906787 /nfs/dbraw/zinc/90/67/87/387906787.db2.gz YZASYMPALDBWMS-UHFFFAOYSA-N 0 0 241.315 3.556 20 30 BHEDRN C#Cc1cccc(NCc2cc(C)cc(C)c2)c1 ZINC000038076731 166223588 /nfs/dbraw/zinc/22/35/88/166223588.db2.gz PBMPRJWGBVOEIL-UHFFFAOYSA-N 0 0 235.330 3.897 20 30 BHEDRN Cc1cc(C)cc(CNc2ccc(C#N)cc2)c1 ZINC000038076735 343420344 /nfs/dbraw/zinc/42/03/44/343420344.db2.gz CXWQVTKXVMZBBE-UHFFFAOYSA-N 0 0 236.318 3.787 20 30 BHEDRN N#C[C@H](c1ccc(Cl)cc1)N1CCCCCC1 ZINC000038086172 181066662 /nfs/dbraw/zinc/06/66/62/181066662.db2.gz VZEXESNDGAGJDM-CQSZACIVSA-N 0 0 248.757 3.781 20 30 BHEDRN N#C[C@@H](c1ccc(Cl)cc1)N1CCCCCC1 ZINC000038086173 181057425 /nfs/dbraw/zinc/05/74/25/181057425.db2.gz VZEXESNDGAGJDM-AWEZNQCLSA-N 0 0 248.757 3.781 20 30 BHEDRN CC[C@@H](CC#N)N[C@@H](C)c1cccc(Cl)c1 ZINC000038092339 358106965 /nfs/dbraw/zinc/10/69/65/358106965.db2.gz IVPFDOYVXWLSCC-GWCFXTLKSA-N 0 0 236.746 3.683 20 30 BHEDRN CC[C@H](CC#N)N[C@@H](C)c1cccc(Cl)c1 ZINC000038092340 358106920 /nfs/dbraw/zinc/10/69/20/358106920.db2.gz IVPFDOYVXWLSCC-GXFFZTMASA-N 0 0 236.746 3.683 20 30 BHEDRN CC[C@@H](CC#N)N[C@H](C)c1cccc(Cl)c1 ZINC000038092341 358107365 /nfs/dbraw/zinc/10/73/65/358107365.db2.gz IVPFDOYVXWLSCC-MFKMUULPSA-N 0 0 236.746 3.683 20 30 BHEDRN CC[C@H](CC#N)N[C@H](C)c1cccc(Cl)c1 ZINC000038092342 358107439 /nfs/dbraw/zinc/10/74/39/358107439.db2.gz IVPFDOYVXWLSCC-ZWNOBZJWSA-N 0 0 236.746 3.683 20 30 BHEDRN CC(C)CCCNc1ccc(C#N)cc1F ZINC000038094037 323383183 /nfs/dbraw/zinc/38/31/83/323383183.db2.gz MBNNOGUXXPGOAS-UHFFFAOYSA-N 0 0 220.291 3.545 20 30 BHEDRN C=CCOc1ccc(OCc2ccccc2)cc1 ZINC000038284630 188007722 /nfs/dbraw/zinc/00/77/22/188007722.db2.gz OWMGFGMROGRUTP-UHFFFAOYSA-N 0 0 240.302 3.830 20 30 BHEDRN C=C(C)CSCCCc1ccccc1 ZINC000038762256 343137435 /nfs/dbraw/zinc/13/74/35/343137435.db2.gz LVXNADMWRBHORC-UHFFFAOYSA-N 0 0 206.354 3.929 20 30 BHEDRN C=CCCC(=O)CSc1ccc(C)cc1 ZINC000038763396 343109332 /nfs/dbraw/zinc/10/93/32/343109332.db2.gz MZPRAKNGTQSEBB-UHFFFAOYSA-N 0 0 220.337 3.622 20 30 BHEDRN C=CCN(C(=O)OC(C)(C)C)c1ccccc1 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C=CCCCNc1cc(NC(=O)CC)ccc1C ZINC000077245133 370403308 /nfs/dbraw/zinc/40/33/08/370403308.db2.gz YUAODXMAKHFHIA-UHFFFAOYSA-N 0 0 246.354 3.722 20 30 BHEDRN C=CCCCNc1ccc(C)c(NC(C)=O)c1C ZINC000077245434 370403332 /nfs/dbraw/zinc/40/33/32/370403332.db2.gz UEKHKUIREVPRJV-UHFFFAOYSA-N 0 0 246.354 3.640 20 30 BHEDRN C=CCCNc1cccc(NC(=O)CCC)c1C ZINC000077245554 353346090 /nfs/dbraw/zinc/34/60/90/353346090.db2.gz HNYDEJPXMYHSDE-UHFFFAOYSA-N 0 0 246.354 3.722 20 30 BHEDRN C=CCCCNc1cccc2c1ccn2C ZINC000077245805 344814121 /nfs/dbraw/zinc/81/41/21/344814121.db2.gz NXEDWKOYMRDRBZ-UHFFFAOYSA-N 0 0 214.312 3.556 20 30 BHEDRN C=CCCNc1ccccc1SC[C@H](C)C#N ZINC000077246006 592320401 /nfs/dbraw/zinc/32/04/01/592320401.db2.gz MSAHBLLHERTDLE-GFCCVEGCSA-N 0 0 246.379 3.926 20 30 BHEDRN C=CCCNc1ccccc1SC[C@@H](C)C#N ZINC000077246007 134410409 /nfs/dbraw/zinc/41/04/09/134410409.db2.gz MSAHBLLHERTDLE-LBPRGKRZSA-N 0 0 246.379 3.926 20 30 BHEDRN N#Cc1cc(F)ccc1CSc1ccccc1 ZINC000077564789 325383279 /nfs/dbraw/zinc/38/32/79/325383279.db2.gz HGDAAEMXTDYXPR-UHFFFAOYSA-N 0 0 243.306 3.990 20 30 BHEDRN C=C(C)CN(CC)C(=O)/C=C(/C)c1ccccc1 ZINC000077584065 641866603 /nfs/dbraw/zinc/86/66/03/641866603.db2.gz VIWDAKOBIBWIJW-KAMYIIQDSA-N 0 0 243.350 3.515 20 30 BHEDRN CCCCCCCCNC(=O)N1CCCCC1 ZINC000077871767 631331686 /nfs/dbraw/zinc/33/16/86/631331686.db2.gz AFLITDNXENHYKW-UHFFFAOYSA-N 0 0 240.391 3.542 20 30 BHEDRN C[C@H](Sc1cc(C#N)ccn1)c1ccccc1 ZINC000077907057 344831308 /nfs/dbraw/zinc/83/13/08/344831308.db2.gz SQMYORCVFTXVLC-NSHDSACASA-N 0 0 240.331 3.807 20 30 BHEDRN C[C@@H](Sc1cc(C#N)ccn1)c1ccccc1 ZINC000077907063 344831459 /nfs/dbraw/zinc/83/14/59/344831459.db2.gz SQMYORCVFTXVLC-LLVKDONJSA-N 0 0 240.331 3.807 20 30 BHEDRN N#Cc1c(F)cccc1Oc1cncc(Cl)c1 ZINC000077985945 388678700 /nfs/dbraw/zinc/67/87/00/388678700.db2.gz OTFWFUMHCRCBDF-UHFFFAOYSA-N 0 0 248.644 3.538 20 30 BHEDRN N#CCN(Cc1ccc(Cl)cc1)C1CCCC1 ZINC000078003383 388486212 /nfs/dbraw/zinc/48/62/12/388486212.db2.gz KKHAYRBUWJPGFQ-UHFFFAOYSA-N 0 0 248.757 3.608 20 30 BHEDRN Cc1cc(C)cc(CN(CC#N)C2CCCC2)c1 ZINC000078003470 388485886 /nfs/dbraw/zinc/48/58/86/388485886.db2.gz FQJHEOLISHZDQK-UHFFFAOYSA-N 0 0 242.366 3.572 20 30 BHEDRN N#CCN(Cc1cccc(Cl)c1)C1CCCC1 ZINC000078003522 325400941 /nfs/dbraw/zinc/40/09/41/325400941.db2.gz VLVGADWGCXHHNL-UHFFFAOYSA-N 0 0 248.757 3.608 20 30 BHEDRN CCc1ccc(CN(CC#N)C2CCCC2)cc1 ZINC000078003544 388485815 /nfs/dbraw/zinc/48/58/15/388485815.db2.gz BTZUDHNIVGYWEU-UHFFFAOYSA-N 0 0 242.366 3.517 20 30 BHEDRN Cc1ccc(C)c(CN(CC#N)C2CCCC2)c1 ZINC000078003577 388485557 /nfs/dbraw/zinc/48/55/57/388485557.db2.gz CHGRJCGILGATMP-UHFFFAOYSA-N 0 0 242.366 3.572 20 30 BHEDRN Cc1ccc(OCc2ccc(CC#N)cc2)cc1 ZINC000078035646 344829803 /nfs/dbraw/zinc/82/98/03/344829803.db2.gz FRYRKKMLTHYLCM-UHFFFAOYSA-N 0 0 237.302 3.640 20 30 BHEDRN CC(C)(C)CCC(=O)Nc1ccc(CC#N)cc1 ZINC000078041104 388487365 /nfs/dbraw/zinc/48/73/65/388487365.db2.gz CXJHWLAIMSJLCB-UHFFFAOYSA-N 0 0 244.338 3.517 20 30 BHEDRN Cc1ccc(NCC(C)(C)CCC#N)cc1 ZINC000078052349 384429186 /nfs/dbraw/zinc/42/91/86/384429186.db2.gz NSOYUWLZAHCKST-UHFFFAOYSA-N 0 0 216.328 3.737 20 30 BHEDRN O=C(/C=C/c1ccccc1F)c1ccccc1F ZINC000078281359 636835223 /nfs/dbraw/zinc/83/52/23/636835223.db2.gz FFWSKGOESIYIBD-MDZDMXLPSA-N 0 0 244.240 3.861 20 30 BHEDRN O=C(/C=C/c1ccsc1)c1ccccc1F ZINC000078281394 641910120 /nfs/dbraw/zinc/91/01/20/641910120.db2.gz IRFAFKHDFALESG-AATRIKPKSA-N 0 0 232.279 3.783 20 30 BHEDRN N#Cc1cc(N[C@H]2CC=CCC2)c2ccccc2n1 ZINC000078293319 344841607 /nfs/dbraw/zinc/84/16/07/344841607.db2.gz ADBICCQXHGDGRQ-LBPRGKRZSA-N 0 0 249.317 3.627 20 30 BHEDRN N#Cc1cc(N[C@@H]2CC=CCC2)c2ccccc2n1 ZINC000078293321 344841861 /nfs/dbraw/zinc/84/18/61/344841861.db2.gz ADBICCQXHGDGRQ-GFCCVEGCSA-N 0 0 249.317 3.627 20 30 BHEDRN Cc1cc(C(C)(C)C)cc(C)c1CN(C)CC#N ZINC000078454940 384768915 /nfs/dbraw/zinc/76/89/15/384768915.db2.gz FKUDJLYFJWRHFT-UHFFFAOYSA-N 0 0 244.382 3.556 20 30 BHEDRN C[C@@H]1CC[C@H](Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000078466732 325419197 /nfs/dbraw/zinc/41/91/97/325419197.db2.gz MLWBHSLQAKLDQD-JMSVASOKSA-N 0 0 228.339 3.795 20 30 BHEDRN C[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2)[C@H](C)C1 ZINC000078466739 518179656 /nfs/dbraw/zinc/17/96/56/518179656.db2.gz MLWBHSLQAKLDQD-LALPHHSUSA-N 0 0 228.339 3.795 20 30 BHEDRN CC(C)[C@H](NCC#N)c1ccc(C(C)(C)C)cc1 ZINC000078515942 398275011 /nfs/dbraw/zinc/27/50/11/398275011.db2.gz VNHNUXHSQGDEIB-HNNXBMFYSA-N 0 0 244.382 3.794 20 30 BHEDRN CC(C)[C@@H](NCC#N)c1ccc(C(C)(C)C)cc1 ZINC000078515948 398274826 /nfs/dbraw/zinc/27/48/26/398274826.db2.gz VNHNUXHSQGDEIB-OAHLLOKOSA-N 0 0 244.382 3.794 20 30 BHEDRN C#CC[N@@H+](Cc1ccccc1Cl)C1CCCC1 ZINC000078516415 640774400 /nfs/dbraw/zinc/77/44/00/640774400.db2.gz FTJNADGOCRSEKK-UHFFFAOYSA-N 0 0 247.769 3.718 20 30 BHEDRN C[C@@H]1CCN(CCCC#N)c2ccccc2S1 ZINC000078525388 134412184 /nfs/dbraw/zinc/41/21/84/134412184.db2.gz GZIPTQKVKYOHLW-GFCCVEGCSA-N 0 0 246.379 3.681 20 30 BHEDRN C[C@H]1CCN(CCCC#N)c2ccccc2S1 ZINC000078525394 398259276 /nfs/dbraw/zinc/25/92/76/398259276.db2.gz GZIPTQKVKYOHLW-LBPRGKRZSA-N 0 0 246.379 3.681 20 30 BHEDRN C[C@@H]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000078535523 176103035 /nfs/dbraw/zinc/10/30/35/176103035.db2.gz AXFRJTWKXSNTKJ-LLVKDONJSA-N 0 0 248.757 3.838 20 30 BHEDRN C[C@H]1CCCN(c2ccc(C#N)c(Cl)c2)CC1 ZINC000078535529 177104984 /nfs/dbraw/zinc/10/49/84/177104984.db2.gz AXFRJTWKXSNTKJ-NSHDSACASA-N 0 0 248.757 3.838 20 30 BHEDRN O=C(/C=C/c1cccc(F)c1F)c1ccccc1 ZINC000078560754 641934365 /nfs/dbraw/zinc/93/43/65/641934365.db2.gz AITUXTUQJSKYHZ-MDZDMXLPSA-N 0 0 244.240 3.861 20 30 BHEDRN CC(C)[C@@H](C)Sc1ncc(C#N)cc1Cl ZINC000078588786 344887153 /nfs/dbraw/zinc/88/71/53/344887153.db2.gz IJZGSKMEYUYPKO-MRVPVSSYSA-N 0 0 240.759 3.743 20 30 BHEDRN CC(C)[C@H](C)Sc1ncc(C#N)cc1Cl ZINC000078588792 344887485 /nfs/dbraw/zinc/88/74/85/344887485.db2.gz IJZGSKMEYUYPKO-QMMMGPOBSA-N 0 0 240.759 3.743 20 30 BHEDRN N#Cc1cccc(Cl)c1NCCC(F)(F)F ZINC000078591574 344888176 /nfs/dbraw/zinc/88/81/76/344888176.db2.gz XRTFYAQYDHRZDX-UHFFFAOYSA-N 0 0 248.635 3.576 20 30 BHEDRN CN(c1cccc(F)c1C#N)C1CCCCCC1 ZINC000078597892 388682663 /nfs/dbraw/zinc/68/26/63/388682663.db2.gz ZAFCCGGNAKIINF-UHFFFAOYSA-N 0 0 246.329 3.856 20 30 BHEDRN C[C@H](N(C)c1cccc(F)c1C#N)C(C)(C)C ZINC000078597896 325424229 /nfs/dbraw/zinc/42/42/29/325424229.db2.gz FUBKTSDVNRTYMA-JTQLQIEISA-N 0 0 234.318 3.568 20 30 BHEDRN C[C@@H](N(C)c1cccc(F)c1C#N)C(C)(C)C ZINC000078597899 325424323 /nfs/dbraw/zinc/42/43/23/325424323.db2.gz FUBKTSDVNRTYMA-SNVBAGLBSA-N 0 0 234.318 3.568 20 30 BHEDRN CN(CCC#N)C1c2ccccc2-c2ccccc21 ZINC000078637588 536298369 /nfs/dbraw/zinc/29/83/69/536298369.db2.gz YBXCILKRTBMVED-UHFFFAOYSA-N 0 0 248.329 3.602 20 30 BHEDRN CC(C)(C)CN(CCC#N)Cc1ccc(F)cc1 ZINC000078642950 135131547 /nfs/dbraw/zinc/13/15/47/135131547.db2.gz SHPYDGASYBKUOZ-UHFFFAOYSA-N 0 0 248.345 3.587 20 30 BHEDRN CCCCCCN(CCC#N)Cc1ccco1 ZINC000078665818 641943061 /nfs/dbraw/zinc/94/30/61/641943061.db2.gz RJYQCVCLBPNMCD-UHFFFAOYSA-N 0 0 234.343 3.576 20 30 BHEDRN Cc1ncsc1/C=C/C(=O)c1ccc(C)cc1 ZINC000078691789 643881108 /nfs/dbraw/zinc/88/11/08/643881108.db2.gz VWCDXDXHDDJWPK-BQYQJAHWSA-N 0 0 243.331 3.656 20 30 BHEDRN Cc1ncsc1/C=C/C(=O)c1ccccc1C ZINC000078692943 641944229 /nfs/dbraw/zinc/94/42/29/641944229.db2.gz MGTGZIFEHPKVJK-BQYQJAHWSA-N 0 0 243.331 3.656 20 30 BHEDRN Cc1ccc(/C=C\C(=O)c2cccc(O)c2)cc1 ZINC000078701788 178357764 /nfs/dbraw/zinc/35/77/64/178357764.db2.gz ONRHRWDCYQMYNG-KTKRTIGZSA-N 0 0 238.286 3.597 20 30 BHEDRN N#Cc1cnc(SC2CCCC2)c(Cl)c1 ZINC000078727403 384459876 /nfs/dbraw/zinc/45/98/76/384459876.db2.gz KTUZVOWCRZXFBS-UHFFFAOYSA-N 0 0 238.743 3.641 20 30 BHEDRN CC[C@@H](c1ccccc1)[S@@](=O)CCCCC#N ZINC000078742709 384460963 /nfs/dbraw/zinc/46/09/63/384460963.db2.gz CWFHYSKOXFRVTK-WMLDXEAASA-N 0 0 249.379 3.580 20 30 BHEDRN CC[C@H](c1ccccc1)[S@@](=O)CCCCC#N ZINC000078742713 384459788 /nfs/dbraw/zinc/45/97/88/384459788.db2.gz CWFHYSKOXFRVTK-RHSMWYFYSA-N 0 0 249.379 3.580 20 30 BHEDRN CC[C@@H](c1ccccc1)[S@](=O)CCCCC#N ZINC000078742720 384460421 /nfs/dbraw/zinc/46/04/21/384460421.db2.gz CWFHYSKOXFRVTK-YOEHRIQHSA-N 0 0 249.379 3.580 20 30 BHEDRN CC[C@H](c1ccccc1)[S@](=O)CCCCC#N ZINC000078742727 384461095 /nfs/dbraw/zinc/46/10/95/384461095.db2.gz CWFHYSKOXFRVTK-PBHICJAKSA-N 0 0 249.379 3.580 20 30 BHEDRN CC(C)(C#N)CCSc1ccc(C#N)cc1 ZINC000078962801 344926296 /nfs/dbraw/zinc/92/62/96/344926296.db2.gz GDBYLHLUEZRVQB-UHFFFAOYSA-N 0 0 230.336 3.590 20 30 BHEDRN COc1ccccc1CSCCC(C)(C)C#N ZINC000078984597 344104786 /nfs/dbraw/zinc/10/47/86/344104786.db2.gz FVMQQHKMDCHORY-UHFFFAOYSA-N 0 0 249.379 3.868 20 30 BHEDRN CC[C@@H]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000079054117 135268358 /nfs/dbraw/zinc/26/83/58/135268358.db2.gz GABRGDXTTAZEEO-CYBMUJFWSA-N 0 0 228.339 3.575 20 30 BHEDRN CC[C@H]1CCCN(c2ccc(C#N)cc2)CC1 ZINC000079054118 135268088 /nfs/dbraw/zinc/26/80/88/135268088.db2.gz GABRGDXTTAZEEO-ZDUSSCGKSA-N 0 0 228.339 3.575 20 30 BHEDRN CC[C@@H]1CCCN(c2cccc(F)c2C#N)CC1 ZINC000079054141 325441628 /nfs/dbraw/zinc/44/16/28/325441628.db2.gz WJYALDQITWHJQR-GFCCVEGCSA-N 0 0 246.329 3.714 20 30 BHEDRN CC[C@H]1CCCN(c2cccc(F)c2C#N)CC1 ZINC000079054147 384530751 /nfs/dbraw/zinc/53/07/51/384530751.db2.gz WJYALDQITWHJQR-LBPRGKRZSA-N 0 0 246.329 3.714 20 30 BHEDRN CC[C@@H]1CCCN(c2ccc(C#N)cc2F)CC1 ZINC000079054169 325441429 /nfs/dbraw/zinc/44/14/29/325441429.db2.gz CTUUDDUDJQRMCE-GFCCVEGCSA-N 0 0 246.329 3.714 20 30 BHEDRN CC[C@H]1CCCN(c2ccc(C#N)cc2F)CC1 ZINC000079054174 388689915 /nfs/dbraw/zinc/68/99/15/388689915.db2.gz CTUUDDUDJQRMCE-LBPRGKRZSA-N 0 0 246.329 3.714 20 30 BHEDRN C=CCSc1nc2ccccc2n1C(F)F ZINC000079084567 490056983 /nfs/dbraw/zinc/05/69/83/490056983.db2.gz IVKDJDXMKZCIBV-UHFFFAOYSA-N 0 0 240.278 3.710 20 30 BHEDRN Cc1ccc(SCc2ccc(C#N)cc2)nc1 ZINC000079094071 359386714 /nfs/dbraw/zinc/38/67/14/359386714.db2.gz PSIXRHQCNYUBGO-UHFFFAOYSA-N 0 0 240.331 3.554 20 30 BHEDRN N#CCC1(COC(=O)CC2CCCCCC2)CC1 ZINC000079168473 644157513 /nfs/dbraw/zinc/15/75/13/644157513.db2.gz PVUDBUARAPNEFI-UHFFFAOYSA-N 0 0 249.354 3.584 20 30 BHEDRN CC[C@@H]1CCCN(c2ccc(F)cc2C#N)CC1 ZINC000079343544 325450246 /nfs/dbraw/zinc/45/02/46/325450246.db2.gz XSPKJYROYRBWAA-GFCCVEGCSA-N 0 0 246.329 3.714 20 30 BHEDRN CC[C@H]1CCCN(c2ccc(F)cc2C#N)CC1 ZINC000079343548 325450504 /nfs/dbraw/zinc/45/05/04/325450504.db2.gz XSPKJYROYRBWAA-LBPRGKRZSA-N 0 0 246.329 3.714 20 30 BHEDRN CC1(C)CCC(Nc2ccc(C#N)cc2)CC1 ZINC000079619930 388696900 /nfs/dbraw/zinc/69/69/00/388696900.db2.gz MXPZAJBISBSWOJ-UHFFFAOYSA-N 0 0 228.339 3.939 20 30 BHEDRN N#Cc1ccc(SCc2cccc(F)c2)cc1 ZINC000079647997 359663135 /nfs/dbraw/zinc/66/31/35/359663135.db2.gz NRUVVLBUUUVKIG-UHFFFAOYSA-N 0 0 243.306 3.990 20 30 BHEDRN Cc1ccc(C#N)c(NC2CCC(C)(C)CC2)n1 ZINC000079679256 135397644 /nfs/dbraw/zinc/39/76/44/135397644.db2.gz FQRCHTHFTBFWCH-UHFFFAOYSA-N 0 0 243.354 3.642 20 30 BHEDRN CCCC1CCC(Nc2cccc(C#N)n2)CC1 ZINC000080118255 388707855 /nfs/dbraw/zinc/70/78/55/388707855.db2.gz BIRODGBDJSOMKK-UHFFFAOYSA-N 0 0 243.354 3.724 20 30 BHEDRN CC[C@H](Nc1cccc(C#N)n1)c1ccccc1 ZINC000080118620 135367125 /nfs/dbraw/zinc/36/71/25/135367125.db2.gz FBZZWNBKZOQNKC-AWEZNQCLSA-N 0 0 237.306 3.516 20 30 BHEDRN CC[C@H](Nc1cccc(C#N)n1)C1CCCCC1 ZINC000080119023 370728123 /nfs/dbraw/zinc/72/81/23/370728123.db2.gz RFLILEZFPLDVSH-AWEZNQCLSA-N 0 0 243.354 3.724 20 30 BHEDRN CC[C@@H](Nc1cccc(C#N)n1)C1CCCCC1 ZINC000080119025 370728356 /nfs/dbraw/zinc/72/83/56/370728356.db2.gz RFLILEZFPLDVSH-CQSZACIVSA-N 0 0 243.354 3.724 20 30 BHEDRN N#Cc1cc(Cl)ccc1N[C@H]1CC=CCC1 ZINC000080119860 181087002 /nfs/dbraw/zinc/08/70/02/181087002.db2.gz YMYVYWILUXBMLP-LBPRGKRZSA-N 0 0 232.714 3.732 20 30 BHEDRN N#Cc1cc(Cl)ccc1N[C@@H]1CC=CCC1 ZINC000080119865 181086739 /nfs/dbraw/zinc/08/67/39/181086739.db2.gz YMYVYWILUXBMLP-GFCCVEGCSA-N 0 0 232.714 3.732 20 30 BHEDRN N#Cc1ccc(N[C@H]2CC=CCC2)cc1Cl ZINC000080119901 181125779 /nfs/dbraw/zinc/12/57/79/181125779.db2.gz CFQXLHXUONQJKA-NSHDSACASA-N 0 0 232.714 3.732 20 30 BHEDRN N#Cc1ccc(N[C@@H]2CC=CCC2)cc1Cl ZINC000080119906 181124393 /nfs/dbraw/zinc/12/43/93/181124393.db2.gz CFQXLHXUONQJKA-LLVKDONJSA-N 0 0 232.714 3.732 20 30 BHEDRN N#Cc1cc(N[C@H]2CC=CCC2)nc2ccccc12 ZINC000080119932 388707746 /nfs/dbraw/zinc/70/77/46/388707746.db2.gz DYVBGXOSZKOQJI-ZDUSSCGKSA-N 0 0 249.317 3.627 20 30 BHEDRN N#Cc1cc(N[C@@H]2CC=CCC2)nc2ccccc12 ZINC000080119938 388707626 /nfs/dbraw/zinc/70/76/26/388707626.db2.gz DYVBGXOSZKOQJI-CYBMUJFWSA-N 0 0 249.317 3.627 20 30 BHEDRN N#Cc1ccc(Cl)cc1N[C@H]1CC=CCC1 ZINC000080120369 181112075 /nfs/dbraw/zinc/11/20/75/181112075.db2.gz YTJCHMVSCNSCKG-LBPRGKRZSA-N 0 0 232.714 3.732 20 30 BHEDRN N#Cc1ccc(Cl)cc1N[C@@H]1CC=CCC1 ZINC000080120375 181111922 /nfs/dbraw/zinc/11/19/22/181111922.db2.gz YTJCHMVSCNSCKG-GFCCVEGCSA-N 0 0 232.714 3.732 20 30 BHEDRN Cc1cccc(NCC(C)(C)CCC#N)c1 ZINC000080191526 134414720 /nfs/dbraw/zinc/41/47/20/134414720.db2.gz WFGYDFKJBQIVBL-UHFFFAOYSA-N 0 0 216.328 3.737 20 30 BHEDRN C[C@@H](c1ccccc1)N(CC#N)C1CCCC1 ZINC000080214994 387984472 /nfs/dbraw/zinc/98/44/72/387984472.db2.gz IBWGUABHDUKIHL-ZDUSSCGKSA-N 0 0 228.339 3.516 20 30 BHEDRN C[C@H](c1ccccc1)N(CC#N)C1CCCC1 ZINC000080214999 387984342 /nfs/dbraw/zinc/98/43/42/387984342.db2.gz IBWGUABHDUKIHL-CYBMUJFWSA-N 0 0 228.339 3.516 20 30 BHEDRN CCc1ccc(CN(CC#N)C2CCCC2)s1 ZINC000080215018 388555098 /nfs/dbraw/zinc/55/50/98/388555098.db2.gz PMNCPJJLSZITCB-UHFFFAOYSA-N 0 0 248.395 3.579 20 30 BHEDRN Cc1ccc(CN(CC#N)C2CCCC2)cc1C ZINC000080215523 388554894 /nfs/dbraw/zinc/55/48/94/388554894.db2.gz BPVLFBHOGHLYKH-UHFFFAOYSA-N 0 0 242.366 3.572 20 30 BHEDRN C#Cc1cccc(NCc2cccc3[nH]ccc32)c1 ZINC000080331975 637079655 /nfs/dbraw/zinc/07/96/55/637079655.db2.gz VDWOHKIUXWZOFV-UHFFFAOYSA-N 0 0 246.313 3.761 20 30 BHEDRN N#Cc1cccc(NCc2cccc3[nH]ccc32)c1 ZINC000080332764 388708804 /nfs/dbraw/zinc/70/88/04/388708804.db2.gz LDYFHQVNJXYPGQ-UHFFFAOYSA-N 0 0 247.301 3.652 20 30 BHEDRN N#Cc1ccc(NCc2cccc3[nH]ccc32)cc1 ZINC000080332886 370748714 /nfs/dbraw/zinc/74/87/14/370748714.db2.gz JWJNYZIBPAGJLQ-UHFFFAOYSA-N 0 0 247.301 3.652 20 30 BHEDRN C=CC[C@H](C)NC(=O)[C@H](c1ccccc1)C(C)C ZINC000080348445 534344377 /nfs/dbraw/zinc/34/43/77/534344377.db2.gz CFBYXPVYVIFNPN-ZFWWWQNUSA-N 0 0 245.366 3.507 20 30 BHEDRN C=CC[C@H](C)NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000080348449 534342517 /nfs/dbraw/zinc/34/25/17/534342517.db2.gz CFBYXPVYVIFNPN-DZGCQCFKSA-N 0 0 245.366 3.507 20 30 BHEDRN C=CC[C@@H](C)NC(=O)[C@H](c1ccccc1)C(C)C ZINC000080348452 136227325 /nfs/dbraw/zinc/22/73/25/136227325.db2.gz CFBYXPVYVIFNPN-HIFRSBDPSA-N 0 0 245.366 3.507 20 30 BHEDRN C=CC[C@@H](C)NC(=O)[C@@H](c1ccccc1)C(C)C ZINC000080348456 136227345 /nfs/dbraw/zinc/22/73/45/136227345.db2.gz CFBYXPVYVIFNPN-UKRRQHHQSA-N 0 0 245.366 3.507 20 30 BHEDRN Cc1c(CSC(C)C)cccc1N[C@@H](C)C#N ZINC000080475859 134414380 /nfs/dbraw/zinc/41/43/80/134414380.db2.gz DJINRVPTXNKMRM-NSHDSACASA-N 0 0 248.395 3.961 20 30 BHEDRN Cc1c(CSC(C)C)cccc1N[C@H](C)C#N ZINC000080475862 134414731 /nfs/dbraw/zinc/41/47/31/134414731.db2.gz DJINRVPTXNKMRM-LLVKDONJSA-N 0 0 248.395 3.961 20 30 BHEDRN CCCCCCCC(=O)N(CC)CCCC ZINC000080523250 644273492 /nfs/dbraw/zinc/27/34/92/644273492.db2.gz UZADBXPHDWZTHP-UHFFFAOYSA-N 0 0 227.392 3.996 20 30 BHEDRN CC(C)[C@@H](C)CNc1cc(Cl)ccc1C#N ZINC000081063191 325490098 /nfs/dbraw/zinc/49/00/98/325490098.db2.gz BNCNPZHTDPXGNU-JTQLQIEISA-N 0 0 236.746 3.916 20 30 BHEDRN CC(C)[C@H](C)CNc1cc(Cl)ccc1C#N ZINC000081063196 388717198 /nfs/dbraw/zinc/71/71/98/388717198.db2.gz BNCNPZHTDPXGNU-SNVBAGLBSA-N 0 0 236.746 3.916 20 30 BHEDRN CC(C)[C@@H](C)CNc1ccc(C#N)c(Cl)c1 ZINC000081063276 388716995 /nfs/dbraw/zinc/71/69/95/388716995.db2.gz LBPUCFAHRYPPQO-JTQLQIEISA-N 0 0 236.746 3.916 20 30 BHEDRN CC(C)[C@H](C)CNc1ccc(C#N)c(Cl)c1 ZINC000081063279 388717215 /nfs/dbraw/zinc/71/72/15/388717215.db2.gz LBPUCFAHRYPPQO-SNVBAGLBSA-N 0 0 236.746 3.916 20 30 BHEDRN CCCCCCCC(=O)Oc1ccc(C#N)cc1 ZINC000081218957 643202863 /nfs/dbraw/zinc/20/28/63/643202863.db2.gz XRSCWCVKLXEFJB-UHFFFAOYSA-N 0 0 245.322 3.824 20 30 BHEDRN N#CCCN(CCC1CCCC1)Cc1ccco1 ZINC000081517859 135387823 /nfs/dbraw/zinc/38/78/23/135387823.db2.gz NECXPMDHPIAJQL-UHFFFAOYSA-N 0 0 246.354 3.576 20 30 BHEDRN CC(C)CCC[C@@H](C)Nc1cccc(C#N)n1 ZINC000081595814 538848242 /nfs/dbraw/zinc/84/82/42/538848242.db2.gz PAHDPEDLFJKACO-GFCCVEGCSA-N 0 0 231.343 3.580 20 30 BHEDRN CC(C)CCC[C@H](C)Nc1cccc(C#N)n1 ZINC000081595818 538848278 /nfs/dbraw/zinc/84/82/78/538848278.db2.gz PAHDPEDLFJKACO-LBPRGKRZSA-N 0 0 231.343 3.580 20 30 BHEDRN CC[C@H](Nc1cccc(C#N)n1)c1cccs1 ZINC000081595881 383865730 /nfs/dbraw/zinc/86/57/30/383865730.db2.gz JQOCHXCNPAEHIC-NSHDSACASA-N 0 0 243.335 3.578 20 30 BHEDRN CC[C@@H](Nc1cccc(C#N)n1)c1cccs1 ZINC000081595884 383865578 /nfs/dbraw/zinc/86/55/78/383865578.db2.gz JQOCHXCNPAEHIC-LLVKDONJSA-N 0 0 243.335 3.578 20 30 BHEDRN C=C(C)CN1CC[C@@H]1c1ccc(Cl)cc1 ZINC000081604404 345486452 /nfs/dbraw/zinc/48/64/52/345486452.db2.gz MPPQWPBYOBCGTG-CYBMUJFWSA-N 0 0 221.731 3.663 20 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ZINC000081620787 398310991 /nfs/dbraw/zinc/31/09/91/398310991.db2.gz FEIUBHOMOBRPIH-UHFFFAOYSA-N 0 0 246.269 3.899 20 30 BHEDRN Cc1cc(Oc2cccc(C#N)n2)ccc1Cl ZINC000081620878 178214892 /nfs/dbraw/zinc/21/48/92/178214892.db2.gz GTNXBZKPMZOQNS-UHFFFAOYSA-N 0 0 244.681 3.707 20 30 BHEDRN Cc1cc(C)c(C)c(Oc2cccc(C#N)n2)c1 ZINC000081620989 177853912 /nfs/dbraw/zinc/85/39/12/177853912.db2.gz HHZJFSRZVFNRGW-UHFFFAOYSA-N 0 0 238.290 3.671 20 30 BHEDRN Cc1ccc(Cl)c(Oc2cccc(C#N)n2)c1 ZINC000081621294 398310874 /nfs/dbraw/zinc/31/08/74/398310874.db2.gz NJROUFBWALOFNV-UHFFFAOYSA-N 0 0 244.681 3.707 20 30 BHEDRN N#Cc1cccc(Oc2ccc(F)cc2Cl)n1 ZINC000081621457 181143062 /nfs/dbraw/zinc/14/30/62/181143062.db2.gz ZZZUKZJPVRMAMF-UHFFFAOYSA-N 0 0 248.644 3.538 20 30 BHEDRN Cc1ccc(Oc2cccc(C#N)n2)c(Cl)c1 ZINC000081621828 178821260 /nfs/dbraw/zinc/82/12/60/178821260.db2.gz YJBRDEVEGNUMFJ-UHFFFAOYSA-N 0 0 244.681 3.707 20 30 BHEDRN N#Cc1cccc(Oc2ccc(F)c(Cl)c2)n1 ZINC000081621943 181142748 /nfs/dbraw/zinc/14/27/48/181142748.db2.gz RTABHNHWSZGKIE-UHFFFAOYSA-N 0 0 248.644 3.538 20 30 BHEDRN N#Cc1cccc(Sc2ccc(Cl)cc2)n1 ZINC000081622057 383879207 /nfs/dbraw/zinc/87/92/07/383879207.db2.gz VYKRVLAGUDXIJQ-UHFFFAOYSA-N 0 0 246.722 3.758 20 30 BHEDRN N#Cc1cccc(Sc2ccccc2Cl)n1 ZINC000081622138 188050066 /nfs/dbraw/zinc/05/00/66/188050066.db2.gz YBKKBYLKEIDOLK-UHFFFAOYSA-N 0 0 246.722 3.758 20 30 BHEDRN Cc1ccc(Sc2cccc(C#N)n2)c(C)c1 ZINC000081622149 398311151 /nfs/dbraw/zinc/31/11/51/398311151.db2.gz HAQSPCPVUVAKMD-UHFFFAOYSA-N 0 0 240.331 3.721 20 30 BHEDRN Cc1ccc(Sc2cccc(C#N)n2)cc1C ZINC000081622210 398310938 /nfs/dbraw/zinc/31/09/38/398310938.db2.gz MJMJLCMUZLUWLA-UHFFFAOYSA-N 0 0 240.331 3.721 20 30 BHEDRN Cc1ccc(C)c(Sc2cccc(C#N)n2)c1 ZINC000081622259 178494822 /nfs/dbraw/zinc/49/48/22/178494822.db2.gz COWFEEXHCURQGH-UHFFFAOYSA-N 0 0 240.331 3.721 20 30 BHEDRN Cc1ccccc1CSc1cccc(C#N)n1 ZINC000081622547 135388401 /nfs/dbraw/zinc/38/84/01/135388401.db2.gz NMCNBYMBZHHWFA-UHFFFAOYSA-N 0 0 240.331 3.554 20 30 BHEDRN C=CCCC(=O)NC(C)(C)c1ccc(CC)cc1 ZINC000081702314 388590434 /nfs/dbraw/zinc/59/04/34/388590434.db2.gz PENIBIJASWPFLJ-UHFFFAOYSA-N 0 0 245.366 3.567 20 30 BHEDRN C=C(C)COc1cccc(NC(=O)/C(C)=C\C)c1 ZINC000081731807 644342952 /nfs/dbraw/zinc/34/29/52/644342952.db2.gz BVUFGYPQBHEUMD-XGICHPGQSA-N 0 0 245.322 3.546 20 30 BHEDRN CCCCCCCCCCC(=O)NCC ZINC000082044054 632588376 /nfs/dbraw/zinc/58/83/76/632588376.db2.gz QFZHIMKZKRGXQF-UHFFFAOYSA-N 0 0 213.365 3.653 20 30 BHEDRN C=CCCC(=O)Oc1cccc(Cl)c1Cl ZINC000082079856 643276294 /nfs/dbraw/zinc/27/62/94/643276294.db2.gz GHGQROAFVXFQIT-UHFFFAOYSA-N 0 0 245.105 3.865 20 30 BHEDRN C=CCN(C)Cc1ccc(Cl)cc1Cl ZINC000082187437 344152313 /nfs/dbraw/zinc/15/23/13/344152313.db2.gz CEMZEVFDTPEYIG-UHFFFAOYSA-N 0 0 230.138 3.611 20 30 BHEDRN C[C@@H]1CCCC[C@@H]1N(C)c1cccc(F)c1C#N ZINC000082190666 388724364 /nfs/dbraw/zinc/72/43/64/388724364.db2.gz OXQAACZUVUHMEB-RISCZKNCSA-N 0 0 246.329 3.712 20 30 BHEDRN C[C@H]1CCCC[C@@H]1N(C)c1cccc(F)c1C#N ZINC000082190670 388724019 /nfs/dbraw/zinc/72/40/19/388724019.db2.gz OXQAACZUVUHMEB-FZMZJTMJSA-N 0 0 246.329 3.712 20 30 BHEDRN C[C@@H]1CCCC[C@H]1N(C)c1cccc(F)c1C#N ZINC000082190674 388724186 /nfs/dbraw/zinc/72/41/86/388724186.db2.gz OXQAACZUVUHMEB-BXUZGUMPSA-N 0 0 246.329 3.712 20 30 BHEDRN C[C@H]1CCCC[C@H]1N(C)c1cccc(F)c1C#N ZINC000082190676 388724695 /nfs/dbraw/zinc/72/46/95/388724695.db2.gz OXQAACZUVUHMEB-SMDDNHRTSA-N 0 0 246.329 3.712 20 30 BHEDRN C=CCCOc1ccc(C(F)(F)F)cc1 ZINC000082229469 345496452 /nfs/dbraw/zinc/49/64/52/345496452.db2.gz FXLVXNJNMHPGJB-UHFFFAOYSA-N 0 0 216.202 3.660 20 30 BHEDRN CCC[C@@H](CC)Nc1cccc(F)c1C#N ZINC000082261487 388723824 /nfs/dbraw/zinc/72/38/24/388723824.db2.gz RALKHXHIKUTHSB-SNVBAGLBSA-N 0 0 220.291 3.688 20 30 BHEDRN CCC[C@H](CC)Nc1cccc(F)c1C#N ZINC000082261488 325534704 /nfs/dbraw/zinc/53/47/04/325534704.db2.gz RALKHXHIKUTHSB-JTQLQIEISA-N 0 0 220.291 3.688 20 30 BHEDRN Cc1nsc(SCc2ccccc2)c1C#N ZINC000082310548 388027999 /nfs/dbraw/zinc/02/79/99/388027999.db2.gz CXBPAFCBIYSVDJ-UHFFFAOYSA-N 0 0 246.360 3.616 20 30 BHEDRN C=C(Br)COc1cccc(Cl)c1 ZINC000082419705 711906621 /nfs/dbraw/zinc/90/66/21/711906621.db2.gz SWRYFNCNGSASJB-UHFFFAOYSA-N 0 0 247.519 3.627 20 30 BHEDRN C[C@@H]1CCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000082424933 388033427 /nfs/dbraw/zinc/03/34/27/388033427.db2.gz HJXIBMFSAQCDNL-RNCFNFMXSA-N 0 0 234.730 3.812 20 30 BHEDRN C[C@H]1CCC[C@@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000082424934 388726663 /nfs/dbraw/zinc/72/66/63/388726663.db2.gz HJXIBMFSAQCDNL-ZANVPECISA-N 0 0 234.730 3.812 20 30 BHEDRN C[C@@H]1CCC[C@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000082424935 388727088 /nfs/dbraw/zinc/72/70/88/388727088.db2.gz HJXIBMFSAQCDNL-NOZJJQNGSA-N 0 0 234.730 3.812 20 30 BHEDRN C[C@H]1CCC[C@H]1Nc1ccc(C#N)c(Cl)c1 ZINC000082424936 370993888 /nfs/dbraw/zinc/99/38/88/370993888.db2.gz HJXIBMFSAQCDNL-TVQRCGJNSA-N 0 0 234.730 3.812 20 30 BHEDRN C#CCCSc1ccc(Br)cc1 ZINC000082496853 634437527 /nfs/dbraw/zinc/43/75/27/634437527.db2.gz PFFAXVAJKKTAKO-UHFFFAOYSA-N 0 0 241.153 3.565 20 30 BHEDRN C#CCCSc1ccccc1Br ZINC000082496856 643327098 /nfs/dbraw/zinc/32/70/98/643327098.db2.gz VLSGHMQDUQAVTK-UHFFFAOYSA-N 0 0 241.153 3.565 20 30 BHEDRN C#CCCNc1ccc(Cl)c(C(F)(F)F)c1 ZINC000082496868 634435260 /nfs/dbraw/zinc/43/52/60/634435260.db2.gz LMIZVFGSYUPYOB-UHFFFAOYSA-N 0 0 247.647 3.794 20 30 BHEDRN C#CCCSc1cccc(Br)c1 ZINC000082496897 636868856 /nfs/dbraw/zinc/86/88/56/636868856.db2.gz JXSLGNBTVCGZAO-UHFFFAOYSA-N 0 0 241.153 3.565 20 30 BHEDRN CC(C)C[C@@H](C)Nc1ccc(F)cc1C#N ZINC000082516429 187317237 /nfs/dbraw/zinc/31/72/37/187317237.db2.gz YRLNSSRCENCTNZ-SNVBAGLBSA-N 0 0 220.291 3.544 20 30 BHEDRN CC(C)C[C@H](C)Nc1ccc(F)cc1C#N ZINC000082516430 388726977 /nfs/dbraw/zinc/72/69/77/388726977.db2.gz YRLNSSRCENCTNZ-JTQLQIEISA-N 0 0 220.291 3.544 20 30 BHEDRN CC(C)CCCNc1ccc(F)cc1C#N ZINC000082516469 322824305 /nfs/dbraw/zinc/82/43/05/322824305.db2.gz XGHPYRQJMOUCBY-UHFFFAOYSA-N 0 0 220.291 3.545 20 30 BHEDRN CC[C@@H](C)[C@@H](C)Nc1ccc(F)cc1C#N ZINC000082516479 385330565 /nfs/dbraw/zinc/33/05/65/385330565.db2.gz XJLGVKFFSQQCEN-NXEZZACHSA-N 0 0 220.291 3.544 20 30 BHEDRN CC[C@H](C)[C@@H](C)Nc1ccc(F)cc1C#N ZINC000082516480 171367473 /nfs/dbraw/zinc/36/74/73/171367473.db2.gz XJLGVKFFSQQCEN-VHSXEESVSA-N 0 0 220.291 3.544 20 30 BHEDRN CC[C@@H](C)[C@H](C)Nc1ccc(F)cc1C#N ZINC000082516481 385330260 /nfs/dbraw/zinc/33/02/60/385330260.db2.gz XJLGVKFFSQQCEN-ZJUUUORDSA-N 0 0 220.291 3.544 20 30 BHEDRN CC[C@H](C)[C@H](C)Nc1ccc(F)cc1C#N ZINC000082516482 171391197 /nfs/dbraw/zinc/39/11/97/171391197.db2.gz XJLGVKFFSQQCEN-UWVGGRQHSA-N 0 0 220.291 3.544 20 30 BHEDRN CCC[C@@H](CC)Nc1ccc(F)cc1C#N ZINC000082516495 169380682 /nfs/dbraw/zinc/38/06/82/169380682.db2.gz OJUFQUTZMNOXPU-GFCCVEGCSA-N 0 0 220.291 3.688 20 30 BHEDRN CCC[C@H](CC)Nc1ccc(F)cc1C#N ZINC000082516496 384429352 /nfs/dbraw/zinc/42/93/52/384429352.db2.gz OJUFQUTZMNOXPU-LBPRGKRZSA-N 0 0 220.291 3.688 20 30 BHEDRN CC1(CNc2ccc(C#N)cc2)CCCC1 ZINC000082618967 168047225 /nfs/dbraw/zinc/04/72/25/168047225.db2.gz PREZHYVYBYAPTF-UHFFFAOYSA-N 0 0 214.312 3.550 20 30 BHEDRN CCCCCCOc1ccc(C#N)c(F)c1 ZINC000082644259 643359246 /nfs/dbraw/zinc/35/92/46/643359246.db2.gz WNQKKLGDZINTSS-UHFFFAOYSA-N 0 0 221.275 3.656 20 30 BHEDRN Cc1cccc(C)c1Nc1cccc(C#N)c1 ZINC000082714954 179045372 /nfs/dbraw/zinc/04/53/72/179045372.db2.gz HDDBVXCXIVAVIW-UHFFFAOYSA-N 0 0 222.291 3.919 20 30 BHEDRN N#Cc1cccc(Nc2ccccc2Cl)c1 ZINC000082714959 188315261 /nfs/dbraw/zinc/31/52/61/188315261.db2.gz HSGMBDQYYWMQOJ-UHFFFAOYSA-N 0 0 228.682 3.955 20 30 BHEDRN N#Cc1cccc(Nc2cccc(Cl)c2)c1 ZINC000082714960 188315092 /nfs/dbraw/zinc/31/50/92/188315092.db2.gz OBFHSOYHIHZCCL-UHFFFAOYSA-N 0 0 228.682 3.955 20 30 BHEDRN N#Cc1cccc(Nc2ccc(Cl)cc2)c1 ZINC000082714961 187283091 /nfs/dbraw/zinc/28/30/91/187283091.db2.gz SLPILWJEDRSCDP-UHFFFAOYSA-N 0 0 228.682 3.955 20 30 BHEDRN N#Cc1cccc(Nc2ccc(F)c(F)c2F)c1 ZINC000082714981 187318137 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20 30 BHEDRN CCN(CCCC(C)(C)C#N)c1ccccc1 ZINC000087608435 383852815 /nfs/dbraw/zinc/85/28/15/383852815.db2.gz SIGPLLWIQGFSJZ-UHFFFAOYSA-N 0 0 230.355 3.843 20 30 BHEDRN CC(C)(C#N)CCCN1CCCc2ccccc21 ZINC000087608437 383854445 /nfs/dbraw/zinc/85/44/45/383854445.db2.gz FPGVKQANEJLTSJ-UHFFFAOYSA-N 0 0 242.366 3.769 20 30 BHEDRN CCN(CCCC(C)(C)C#N)c1cccc(F)c1 ZINC000087608656 256572603 /nfs/dbraw/zinc/57/26/03/256572603.db2.gz NWTXMCIDDLRRAM-UHFFFAOYSA-N 0 0 248.345 3.982 20 30 BHEDRN CN(CCCC(C)(C)C#N)c1ccc(F)cc1 ZINC000087608663 383853057 /nfs/dbraw/zinc/85/30/57/383853057.db2.gz RMNMINZZQGZFQN-UHFFFAOYSA-N 0 0 234.318 3.592 20 30 BHEDRN Cc1ccccc1N(C)CCCC(C)(C)C#N ZINC000087608671 355404817 /nfs/dbraw/zinc/40/48/17/355404817.db2.gz UCODNSKHUVXSQU-UHFFFAOYSA-N 0 0 230.355 3.761 20 30 BHEDRN Cc1cccc(N(C)CCCC(C)(C)C#N)c1 ZINC000087608672 383853920 /nfs/dbraw/zinc/85/39/20/383853920.db2.gz VTXPNQRKWNLCPB-UHFFFAOYSA-N 0 0 230.355 3.761 20 30 BHEDRN Cc1ccc(N(C)CCCC(C)(C)C#N)cc1 ZINC000087608673 383853706 /nfs/dbraw/zinc/85/37/06/383853706.db2.gz WBPGXFIXFFUUIZ-UHFFFAOYSA-N 0 0 230.355 3.761 20 30 BHEDRN CN(CCCC(C)(C)C#N)c1ccccc1F ZINC000087608674 134425592 /nfs/dbraw/zinc/42/55/92/134425592.db2.gz HWXACYMNCGXXGY-UHFFFAOYSA-N 0 0 234.318 3.592 20 30 BHEDRN CCN(CCCC(C)(C)C#N)c1ccccc1F ZINC000087608676 383853479 /nfs/dbraw/zinc/85/34/79/383853479.db2.gz HLWJHHYURQBNCU-UHFFFAOYSA-N 0 0 248.345 3.982 20 30 BHEDRN CCN(CCCC(C)(C)C#N)c1ccc(F)cc1 ZINC000087608677 383854061 /nfs/dbraw/zinc/85/40/61/383854061.db2.gz IRXRSPBVBQSKGJ-UHFFFAOYSA-N 0 0 248.345 3.982 20 30 BHEDRN CC(C)(C#N)CCCOc1cc(F)cc(F)c1 ZINC000087609050 383853214 /nfs/dbraw/zinc/85/32/14/383853214.db2.gz BTSSLPRGVZSOQX-UHFFFAOYSA-N 0 0 239.265 3.674 20 30 BHEDRN CC(C)(C#N)CCCOc1cccc(F)c1F ZINC000087609051 383853880 /nfs/dbraw/zinc/85/38/80/383853880.db2.gz LJJXCMRGPBBMRZ-UHFFFAOYSA-N 0 0 239.265 3.674 20 30 BHEDRN CC(C)(C#N)CCCOc1cc(F)ccc1F ZINC000087609053 383853042 /nfs/dbraw/zinc/85/30/42/383853042.db2.gz OOYAZCDJBPTFGL-UHFFFAOYSA-N 0 0 239.265 3.674 20 30 BHEDRN COCc1cccc(OCCCC(C)(C)C#N)c1 ZINC000087609061 383853825 /nfs/dbraw/zinc/85/38/25/383853825.db2.gz CTLRYCOLHIMNSM-UHFFFAOYSA-N 0 0 247.338 3.542 20 30 BHEDRN CC(C)(C#N)CCCSc1ccccn1 ZINC000087609102 534985200 /nfs/dbraw/zinc/98/52/00/534985200.db2.gz GGDVAAONFGYKQQ-UHFFFAOYSA-N 0 0 220.341 3.504 20 30 BHEDRN Cc1csc(SCCCC(C)(C)C#N)n1 ZINC000087609113 134425712 /nfs/dbraw/zinc/42/57/12/134425712.db2.gz MIQGRMYSQXMMDQ-UHFFFAOYSA-N 0 0 240.397 3.874 20 30 BHEDRN CC(C)(C#N)CCCSCc1ccco1 ZINC000087609116 534984427 /nfs/dbraw/zinc/98/44/27/534984427.db2.gz HLYQJGXEXXYVLM-UHFFFAOYSA-N 0 0 223.341 3.843 20 30 BHEDRN CC1(C)CCCN(c2ccc(C#N)cc2)CC1 ZINC000087658067 355697908 /nfs/dbraw/zinc/69/79/08/355697908.db2.gz OQBJBDGPCYDRAU-UHFFFAOYSA-N 0 0 228.339 3.575 20 30 BHEDRN CC1(C)CCCN(c2ccc(C#N)cc2F)CC1 ZINC000087658074 256573314 /nfs/dbraw/zinc/57/33/14/256573314.db2.gz DFSOMTCCLVKNBZ-UHFFFAOYSA-N 0 0 246.329 3.714 20 30 BHEDRN CC1(C)CCCN(c2ccc(F)cc2C#N)CC1 ZINC000087658075 256573032 /nfs/dbraw/zinc/57/30/32/256573032.db2.gz QLTKLVIXQCRRCZ-UHFFFAOYSA-N 0 0 246.329 3.714 20 30 BHEDRN C#Cc1cccc(N[C@H]2CCC(C)(C)C2)c1 ZINC000087769148 644500348 /nfs/dbraw/zinc/50/03/48/644500348.db2.gz QZKNANGBVLOUKO-AWEZNQCLSA-N 0 0 213.324 3.659 20 30 BHEDRN C#Cc1cccc(N[C@@H]2CCC(C)(C)C2)c1 ZINC000087769151 644500590 /nfs/dbraw/zinc/50/05/90/644500590.db2.gz QZKNANGBVLOUKO-CQSZACIVSA-N 0 0 213.324 3.659 20 30 BHEDRN CC1(C)CC[C@H](Nc2cccc(C#N)c2)C1 ZINC000087769367 398303949 /nfs/dbraw/zinc/30/39/49/398303949.db2.gz WICNBPVZQNOCOS-ZDUSSCGKSA-N 0 0 214.312 3.549 20 30 BHEDRN CC1(C)CC[C@@H](Nc2cccc(C#N)c2)C1 ZINC000087769369 398304100 /nfs/dbraw/zinc/30/41/00/398304100.db2.gz WICNBPVZQNOCOS-CYBMUJFWSA-N 0 0 214.312 3.549 20 30 BHEDRN CC1(C)CC[C@H](Nc2ccc(C#N)cc2)C1 ZINC000087769426 256573464 /nfs/dbraw/zinc/57/34/64/256573464.db2.gz RKCAFVUGPKZPGT-ZDUSSCGKSA-N 0 0 214.312 3.549 20 30 BHEDRN CC1(C)CC[C@@H](Nc2ccc(C#N)cc2)C1 ZINC000087769428 386432363 /nfs/dbraw/zinc/43/23/63/386432363.db2.gz RKCAFVUGPKZPGT-CYBMUJFWSA-N 0 0 214.312 3.549 20 30 BHEDRN CCCCSCc1ccc(OC)c(C#N)c1 ZINC000087833723 256532345 /nfs/dbraw/zinc/53/23/45/256532345.db2.gz GILPQKZSBBHLHO-UHFFFAOYSA-N 0 0 235.352 3.600 20 30 BHEDRN COc1ccc(CSC2CCCC2)cc1C#N ZINC000087833757 386781202 /nfs/dbraw/zinc/78/12/02/386781202.db2.gz DIFYKFFBWCWLQI-UHFFFAOYSA-N 0 0 247.363 3.743 20 30 BHEDRN C=CCCOc1cc(F)cc(Br)c1 ZINC000087909382 385258059 /nfs/dbraw/zinc/25/80/59/385258059.db2.gz KKVRSJWPVKUDFD-UHFFFAOYSA-N 0 0 245.091 3.543 20 30 BHEDRN C=CCNc1ccc(Cl)cc1Br ZINC000087917272 387132310 /nfs/dbraw/zinc/13/23/10/387132310.db2.gz GVUJBKUNMFNERX-UHFFFAOYSA-N 0 0 246.535 3.700 20 30 BHEDRN N#CC1(CCOc2ccccc2)CCCCC1 ZINC000087929935 259330206 /nfs/dbraw/zinc/33/02/06/259330206.db2.gz JUQUNUVDMJWBSK-UHFFFAOYSA-N 0 0 229.323 3.930 20 30 BHEDRN C=C(C)COc1cc(F)cc(Br)c1 ZINC000088138757 256546571 /nfs/dbraw/zinc/54/65/71/256546571.db2.gz ABCVNAKGAJZUIU-UHFFFAOYSA-N 0 0 245.091 3.543 20 30 BHEDRN C=CCCCOc1cccc2c1CCCC2=O ZINC000088152699 384232892 /nfs/dbraw/zinc/23/28/92/384232892.db2.gz XNJRXFNNINHSCF-UHFFFAOYSA-N 0 0 230.307 3.551 20 30 BHEDRN Cc1cc(C#N)cc(C)c1OCCC(C)C ZINC000088154004 256546599 /nfs/dbraw/zinc/54/65/99/256546599.db2.gz JJFHHGPHZLAACL-UHFFFAOYSA-N 0 0 217.312 3.600 20 30 BHEDRN C=CCCCOc1c(C)cc(C#N)cc1C ZINC000088154146 256546628 /nfs/dbraw/zinc/54/66/28/256546628.db2.gz DICJAEKTJPLLKZ-UHFFFAOYSA-N 0 0 215.296 3.520 20 30 BHEDRN Cc1cc(C#N)cc(C)c1OCCC(F)(F)F ZINC000088154696 386850385 /nfs/dbraw/zinc/85/03/85/386850385.db2.gz JWMQYCMLJXISTC-UHFFFAOYSA-N 0 0 243.228 3.506 20 30 BHEDRN C=C(C)CNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000088191539 636897019 /nfs/dbraw/zinc/89/70/19/636897019.db2.gz KTUFVDOWPRQUEH-UHFFFAOYSA-N 0 0 240.228 3.565 20 30 BHEDRN C=CCCNc1ccc(C#N)c(C(F)(F)F)c1 ZINC000088191629 135516759 /nfs/dbraw/zinc/51/67/59/135516759.db2.gz YRAXUXSISGATKW-UHFFFAOYSA-N 0 0 240.228 3.565 20 30 BHEDRN C=CCCCC(=O)N[C@H](C)c1ccc(C)c(F)c1 ZINC000088235184 388527611 /nfs/dbraw/zinc/52/76/11/388527611.db2.gz CNLRROLTFJNAEV-GFCCVEGCSA-N 0 0 249.329 3.668 20 30 BHEDRN N#CCC1(CNc2cccc3ccccc32)CC1 ZINC000088249389 356639372 /nfs/dbraw/zinc/63/93/72/356639372.db2.gz VDIBBPZMTIOUFC-UHFFFAOYSA-N 0 0 236.318 3.946 20 30 BHEDRN N#CCC1(CNc2cccc3c2CCCC3)CC1 ZINC000088249427 356639216 /nfs/dbraw/zinc/63/92/16/356639216.db2.gz BRDDKABKSFRPSA-UHFFFAOYSA-N 0 0 240.350 3.671 20 30 BHEDRN CC(C)c1ccccc1NCC1(CC#N)CC1 ZINC000088249450 356639266 /nfs/dbraw/zinc/63/92/66/356639266.db2.gz OOEUJIHLAGSWBT-UHFFFAOYSA-N 0 0 228.339 3.916 20 30 BHEDRN CC(C)c1ccc(NCC2(CC#N)CC2)cc1 ZINC000088249481 356638710 /nfs/dbraw/zinc/63/87/10/356638710.db2.gz SLVXVPFCJGALEZ-UHFFFAOYSA-N 0 0 228.339 3.916 20 30 BHEDRN CCCc1ccc(NCC2(CC#N)CC2)cc1 ZINC000088249591 641329266 /nfs/dbraw/zinc/32/92/66/641329266.db2.gz FOAQRCLQOAWZBQ-UHFFFAOYSA-N 0 0 228.339 3.745 20 30 BHEDRN N#CCC1(CNc2ccc3ccccc3c2)CC1 ZINC000088249603 641329631 /nfs/dbraw/zinc/32/96/31/641329631.db2.gz MBYAHVWMCFXLIQ-UHFFFAOYSA-N 0 0 236.318 3.946 20 30 BHEDRN CCCc1ccccc1NCC1(CC#N)CC1 ZINC000088249791 356639388 /nfs/dbraw/zinc/63/93/88/356639388.db2.gz ONQAPMWZYZULSG-UHFFFAOYSA-N 0 0 228.339 3.745 20 30 BHEDRN CCCOc1ccc(NCC2(CC#N)CC2)cc1 ZINC000088249867 641329233 /nfs/dbraw/zinc/32/92/33/641329233.db2.gz LQDOHGAFFCZXOS-UHFFFAOYSA-N 0 0 244.338 3.581 20 30 BHEDRN CC(C)c1ccc(OCC2(CC#N)CC2)cc1 ZINC000088257427 356640361 /nfs/dbraw/zinc/64/03/61/356640361.db2.gz VIGLQNUPKOBUNH-UHFFFAOYSA-N 0 0 229.323 3.883 20 30 BHEDRN CC(C)c1ccccc1OCC1(CC#N)CC1 ZINC000088257428 356640277 /nfs/dbraw/zinc/64/02/77/356640277.db2.gz LVYHBZXPHJYVCS-UHFFFAOYSA-N 0 0 229.323 3.883 20 30 BHEDRN N#CCC1(COc2cccc3ccccc32)CC1 ZINC000088257431 356639982 /nfs/dbraw/zinc/63/99/82/356639982.db2.gz FTDHEWXXZUFYPY-UHFFFAOYSA-N 0 0 237.302 3.912 20 30 BHEDRN N#CCC1(CSCc2ccccc2)CC1 ZINC000088259643 356645083 /nfs/dbraw/zinc/64/50/83/356645083.db2.gz WPNHVZYZKGUKCZ-UHFFFAOYSA-N 0 0 217.337 3.614 20 30 BHEDRN Cc1ccc(SCC2(CC#N)CC2)cc1 ZINC000088259645 356644610 /nfs/dbraw/zinc/64/46/10/356644610.db2.gz ZBVDZTJXAXELHB-UHFFFAOYSA-N 0 0 217.337 3.781 20 30 BHEDRN N#CCC1(CSc2ccccc2F)CC1 ZINC000088259649 356644977 /nfs/dbraw/zinc/64/49/77/356644977.db2.gz QBWWPVXHOYUDQI-UHFFFAOYSA-N 0 0 221.300 3.612 20 30 BHEDRN N#CCC1(CSc2ccc(F)cc2)CC1 ZINC000088259659 356644733 /nfs/dbraw/zinc/64/47/33/356644733.db2.gz MRCFQAAELOLCCG-UHFFFAOYSA-N 0 0 221.300 3.612 20 30 BHEDRN N#CCC1(CSc2nc3ccccc3o2)CC1 ZINC000088259683 356645731 /nfs/dbraw/zinc/64/57/31/356645731.db2.gz UXCWJWWDTJMMOW-UHFFFAOYSA-N 0 0 244.319 3.614 20 30 BHEDRN N#CCC1(CSc2ccc3c(c2)CCC3)CC1 ZINC000088259693 356645565 /nfs/dbraw/zinc/64/55/65/356645565.db2.gz HTVFABXBNVWHLB-UHFFFAOYSA-N 0 0 243.375 3.961 20 30 BHEDRN N#CCC1(CSc2ccc(F)c(F)c2)CC1 ZINC000088259699 356645332 /nfs/dbraw/zinc/64/53/32/356645332.db2.gz ZFWZGZGAYXVUDZ-UHFFFAOYSA-N 0 0 239.290 3.751 20 30 BHEDRN N#CCC1(CSc2ccc(F)cc2F)CC1 ZINC000088259710 356645410 /nfs/dbraw/zinc/64/54/10/356645410.db2.gz XCLGOKLIYVACIU-UHFFFAOYSA-N 0 0 239.290 3.751 20 30 BHEDRN N#CCC1(CSc2cc(F)ccc2F)CC1 ZINC000088259717 356645752 /nfs/dbraw/zinc/64/57/52/356645752.db2.gz QULZQVKTTBWYHW-UHFFFAOYSA-N 0 0 239.290 3.751 20 30 BHEDRN Cc1ccccc1SCC1(CC#N)CC1 ZINC000088259720 356645728 /nfs/dbraw/zinc/64/57/28/356645728.db2.gz LFJMJXFQYUOPFB-UHFFFAOYSA-N 0 0 217.337 3.781 20 30 BHEDRN Cc1cccc(SCC2(CC#N)CC2)c1 ZINC000088259722 356645852 /nfs/dbraw/zinc/64/58/52/356645852.db2.gz HNFQOUGPIILUOP-UHFFFAOYSA-N 0 0 217.337 3.781 20 30 BHEDRN Cc1ccccc1CSCC1(CC#N)CC1 ZINC000088259743 356645525 /nfs/dbraw/zinc/64/55/25/356645525.db2.gz QIHKQPYYNVNOSH-UHFFFAOYSA-N 0 0 231.364 3.922 20 30 BHEDRN Cc1cccc(CSCC2(CC#N)CC2)c1 ZINC000088259745 356645322 /nfs/dbraw/zinc/64/53/22/356645322.db2.gz RJXXHTSUWKEDAS-UHFFFAOYSA-N 0 0 231.364 3.922 20 30 BHEDRN CC(C)c1cccc(OCC2(CC#N)CC2)c1 ZINC000088259757 356645364 /nfs/dbraw/zinc/64/53/64/356645364.db2.gz VMFWUSAEJAUNLL-UHFFFAOYSA-N 0 0 229.323 3.883 20 30 BHEDRN N#CCC1(CSc2ccc(Cl)cn2)CC1 ZINC000088259770 356645787 /nfs/dbraw/zinc/64/57/87/356645787.db2.gz BJORXVJECUTEQL-UHFFFAOYSA-N 0 0 238.743 3.521 20 30 BHEDRN N#CCC1(CSc2ncccc2Cl)CC1 ZINC000088259771 356645406 /nfs/dbraw/zinc/64/54/06/356645406.db2.gz IMYGMAKWOUFUAM-UHFFFAOYSA-N 0 0 238.743 3.521 20 30 BHEDRN N#CCC1(COc2ccc3ccccc3c2)CC1 ZINC000088259781 356645555 /nfs/dbraw/zinc/64/55/55/356645555.db2.gz CATVPPYDPXOVOV-UHFFFAOYSA-N 0 0 237.302 3.912 20 30 BHEDRN Cc1cc(Cl)ccc1OCC1(CC#N)CC1 ZINC000088259782 356645370 /nfs/dbraw/zinc/64/53/70/356645370.db2.gz DTNQGSYZEDJPAL-UHFFFAOYSA-N 0 0 235.714 3.721 20 30 BHEDRN C[C@@H]1CCC[C@H](N(C)c2cccc(F)c2C#N)C1 ZINC000088263510 386963785 /nfs/dbraw/zinc/96/37/85/386963785.db2.gz AUEGVPKAVGDMOX-NEPJUHHUSA-N 0 0 246.329 3.712 20 30 BHEDRN C[C@H]1CCC[C@H](N(C)c2cccc(F)c2C#N)C1 ZINC000088263512 386966779 /nfs/dbraw/zinc/96/67/79/386966779.db2.gz AUEGVPKAVGDMOX-RYUDHWBXSA-N 0 0 246.329 3.712 20 30 BHEDRN C[C@@H]1CCC[C@@H](N(C)c2cccc(F)c2C#N)C1 ZINC000088263517 386966337 /nfs/dbraw/zinc/96/63/37/386966337.db2.gz AUEGVPKAVGDMOX-VXGBXAGGSA-N 0 0 246.329 3.712 20 30 BHEDRN C[C@H]1CCC[C@@H](N(C)c2cccc(F)c2C#N)C1 ZINC000088263518 386963356 /nfs/dbraw/zinc/96/33/56/386963356.db2.gz AUEGVPKAVGDMOX-NWDGAFQWSA-N 0 0 246.329 3.712 20 30 BHEDRN CCCOc1ccccc1OCC1(CC#N)CC1 ZINC000088272076 356650249 /nfs/dbraw/zinc/65/02/49/356650249.db2.gz ALTIFUICKMYEHH-UHFFFAOYSA-N 0 0 245.322 3.548 20 30 BHEDRN Cc1cc(OCC2(CC#N)CC2)ccc1Cl ZINC000088272093 356650229 /nfs/dbraw/zinc/65/02/29/356650229.db2.gz LSYBNRYLCTZCCP-UHFFFAOYSA-N 0 0 235.714 3.721 20 30 BHEDRN Cc1cc(C)c(C)c(OCC2(CC#N)CC2)c1 ZINC000088272101 356650259 /nfs/dbraw/zinc/65/02/59/356650259.db2.gz WEIZJFCECGIYNG-UHFFFAOYSA-N 0 0 229.323 3.685 20 30 BHEDRN CCCOc1ccc(OCC2(CC#N)CC2)cc1 ZINC000088272102 356650366 /nfs/dbraw/zinc/65/03/66/356650366.db2.gz FVPMTAAOILYAJZ-UHFFFAOYSA-N 0 0 245.322 3.548 20 30 BHEDRN Cc1ccc(C)c(OCC2(CC#N)CC2)c1C 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ZINC000114756944 534884862 /nfs/dbraw/zinc/88/48/62/534884862.db2.gz LMFLUOPLVDRLAS-LBPRGKRZSA-N 0 0 249.379 3.550 20 30 BHEDRN C=CCS[C@H](C)C(=O)Nc1cc(C)ccc1C ZINC000114757001 534885206 /nfs/dbraw/zinc/88/52/06/534885206.db2.gz AJZFTPLQPGOWHO-GFCCVEGCSA-N 0 0 249.379 3.550 20 30 BHEDRN C=CCS[C@@H](C)C(=O)Nc1cc(C)ccc1C ZINC000114757003 534884887 /nfs/dbraw/zinc/88/48/87/534884887.db2.gz AJZFTPLQPGOWHO-LBPRGKRZSA-N 0 0 249.379 3.550 20 30 BHEDRN C=CCS[C@H](C)C(=O)Nc1ccc(C)cc1C ZINC000114757008 384294844 /nfs/dbraw/zinc/29/48/44/384294844.db2.gz SJTQYYXLQVOIOE-GFCCVEGCSA-N 0 0 249.379 3.550 20 30 BHEDRN C=CCS[C@@H](C)C(=O)Nc1ccc(C)cc1C ZINC000114757009 384295174 /nfs/dbraw/zinc/29/51/74/384295174.db2.gz SJTQYYXLQVOIOE-LBPRGKRZSA-N 0 0 249.379 3.550 20 30 BHEDRN C=CCSCc1cccc2cccnc21 ZINC000114757106 534884776 /nfs/dbraw/zinc/88/47/76/534884776.db2.gz PFYKCRZUZBODNS-UHFFFAOYSA-N 0 0 215.321 3.654 20 30 BHEDRN C=CCSCc1cc(-c2ccccc2)on1 ZINC000114757140 370593910 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KTSZLDHFSYJXKC-INIZCTEOSA-N 0 0 242.359 3.904 20 30 BHEDRN CCCCCCC[S@](=O)c1ccccc1F ZINC000114998066 588896342 /nfs/dbraw/zinc/89/63/42/588896342.db2.gz KTSZLDHFSYJXKC-MRXNPFEDSA-N 0 0 242.359 3.904 20 30 BHEDRN CCCCCCCCC(=O)Nc1ccccc1N ZINC000115061949 588905074 /nfs/dbraw/zinc/90/50/74/588905074.db2.gz RJBIIHUYCIBEJO-UHFFFAOYSA-N 0 0 248.370 3.958 20 30 BHEDRN CCCCCCCCC(=O)Nc1ccc(N)cc1 ZINC000115061959 588905156 /nfs/dbraw/zinc/90/51/56/588905156.db2.gz HYVHLXNQQZEHQM-UHFFFAOYSA-N 0 0 248.370 3.958 20 30 BHEDRN CCCCCCCCC(=O)N[C@@H](CC)CC#N ZINC000115063190 588905703 /nfs/dbraw/zinc/90/57/03/588905703.db2.gz KCASXGQESLALGN-ZDUSSCGKSA-N 0 0 238.375 3.545 20 30 BHEDRN CCCCCCCCC(=O)N[C@H](CC)CC#N ZINC000115063193 588905194 /nfs/dbraw/zinc/90/51/94/588905194.db2.gz KCASXGQESLALGN-CYBMUJFWSA-N 0 0 238.375 3.545 20 30 BHEDRN Cc1ccc(S[C@@H](C#N)C2CCCCC2)nc1 ZINC000115187312 343440815 /nfs/dbraw/zinc/44/08/15/343440815.db2.gz TVVNISOYSQPIAH-ZDUSSCGKSA-N 0 0 246.379 3.955 20 30 BHEDRN Cc1ccc(S[C@H](C#N)C2CCCCC2)nc1 ZINC000115187314 343440766 /nfs/dbraw/zinc/44/07/66/343440766.db2.gz TVVNISOYSQPIAH-CYBMUJFWSA-N 0 0 246.379 3.955 20 30 BHEDRN N#C[C@H](Sc1ccc(O)cc1)C1CCCCC1 ZINC000115187393 344705152 /nfs/dbraw/zinc/70/51/52/344705152.db2.gz KOMSOEAWRXTNIP-AWEZNQCLSA-N 0 0 247.363 3.957 20 30 BHEDRN N#C[C@@H](Sc1ccc(O)cc1)C1CCCCC1 ZINC000115187395 344705262 /nfs/dbraw/zinc/70/52/62/344705262.db2.gz KOMSOEAWRXTNIP-CQSZACIVSA-N 0 0 247.363 3.957 20 30 BHEDRN N#C[C@H](Sc1nccs1)C1CCCCC1 ZINC000115187509 344705066 /nfs/dbraw/zinc/70/50/66/344705066.db2.gz YRYJVROAPHJIFB-JTQLQIEISA-N 0 0 238.381 3.708 20 30 BHEDRN N#C[C@@H](Sc1nccs1)C1CCCCC1 ZINC000115187511 344705258 /nfs/dbraw/zinc/70/52/58/344705258.db2.gz YRYJVROAPHJIFB-SNVBAGLBSA-N 0 0 238.381 3.708 20 30 BHEDRN C=CCCC(=O)Nc1ccccc1OC(C)(C)C ZINC000115298889 322974344 /nfs/dbraw/zinc/97/43/44/322974344.db2.gz YYDQIXKTDSFRIC-UHFFFAOYSA-N 0 0 247.338 3.769 20 30 BHEDRN Cc1ccccc1COc1cccc(F)c1C#N ZINC000115351138 388693761 /nfs/dbraw/zinc/69/37/61/388693761.db2.gz SEEURYKVHBEAFD-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1cccc(COc2cccc(F)c2C#N)c1 ZINC000115352388 322975303 /nfs/dbraw/zinc/97/53/03/322975303.db2.gz AVCFBAIEISEYMY-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN C=CCCC(=O)N1CCC[C@@H](C(C)(C)C)CC1 ZINC000116090562 370732082 /nfs/dbraw/zinc/73/20/82/370732082.db2.gz JEVCDROQZRKBDF-CYBMUJFWSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CCCC(=O)N1CCC[C@H](C(C)(C)C)CC1 ZINC000116090563 370731519 /nfs/dbraw/zinc/73/15/19/370731519.db2.gz JEVCDROQZRKBDF-ZDUSSCGKSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CCCC(=O)Oc1ccccc1SCC ZINC000116110727 134162030 /nfs/dbraw/zinc/16/20/30/134162030.db2.gz AHMNTKYPYULHOB-UHFFFAOYSA-N 0 0 236.336 3.670 20 30 BHEDRN CCCCCCCCS[C@@H](C)CCO ZINC000116773607 589040737 /nfs/dbraw/zinc/04/07/37/589040737.db2.gz MHSVKQTVOZLCTA-LBPRGKRZSA-N 0 0 218.406 3.851 20 30 BHEDRN CCCCCCCCS[C@H](C)CCO ZINC000116773609 589040658 /nfs/dbraw/zinc/04/06/58/589040658.db2.gz MHSVKQTVOZLCTA-GFCCVEGCSA-N 0 0 218.406 3.851 20 30 BHEDRN C=CC[C@H](C)NC(=O)C[C@@H](C)C1CCCCC1 ZINC000116849958 370843756 /nfs/dbraw/zinc/84/37/56/370843756.db2.gz ZNFKFEWLBHTVKC-OLZOCXBDSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@@H](C)NC(=O)C[C@@H](C)C1CCCCC1 ZINC000116849960 342701595 /nfs/dbraw/zinc/70/15/95/342701595.db2.gz ZNFKFEWLBHTVKC-CHWSQXEVSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](C)NC(=O)C[C@H](C)C1CCCCC1 ZINC000116849962 370844181 /nfs/dbraw/zinc/84/41/81/370844181.db2.gz ZNFKFEWLBHTVKC-STQMWFEESA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@@H](C)NC(=O)C[C@H](C)C1CCCCC1 ZINC000116849964 370844347 /nfs/dbraw/zinc/84/43/47/370844347.db2.gz ZNFKFEWLBHTVKC-QWHCGFSZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](C)NC(=O)c1cc2ccccc2s1 ZINC000116850846 370844597 /nfs/dbraw/zinc/84/45/97/370844597.db2.gz OERROBLHRBEREZ-JTQLQIEISA-N 0 0 245.347 3.596 20 30 BHEDRN C=CC[C@@H](C)NC(=O)c1cc2ccccc2s1 ZINC000116850848 370844030 /nfs/dbraw/zinc/84/40/30/370844030.db2.gz OERROBLHRBEREZ-SNVBAGLBSA-N 0 0 245.347 3.596 20 30 BHEDRN C=CC[C@H](C)NC(=O)C[C@H](C)c1ccccc1C ZINC000116851552 383902232 /nfs/dbraw/zinc/90/22/32/383902232.db2.gz SDZLGOFGDXARRT-KBPBESRZSA-N 0 0 245.366 3.569 20 30 BHEDRN C=CC[C@H](C)NC(=O)C[C@@H](C)c1ccccc1C ZINC000116851554 383902489 /nfs/dbraw/zinc/90/24/89/383902489.db2.gz SDZLGOFGDXARRT-KGLIPLIRSA-N 0 0 245.366 3.569 20 30 BHEDRN C=CC[C@@H](C)NC(=O)C[C@H](C)c1ccccc1C ZINC000116851555 383889108 /nfs/dbraw/zinc/88/91/08/383889108.db2.gz SDZLGOFGDXARRT-UONOGXRCSA-N 0 0 245.366 3.569 20 30 BHEDRN C=CC[C@@H](C)NC(=O)C[C@@H](C)c1ccccc1C ZINC000116851557 383889276 /nfs/dbraw/zinc/88/92/76/383889276.db2.gz SDZLGOFGDXARRT-ZIAGYGMSSA-N 0 0 245.366 3.569 20 30 BHEDRN C=CC[C@H](C)NC(=O)[C@@H](CCC)c1ccccc1 ZINC000116852784 383902827 /nfs/dbraw/zinc/90/28/27/383902827.db2.gz NJRJAQPQIAAKOK-ZFWWWQNUSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@H](C)NC(=O)[C@H](CCC)c1ccccc1 ZINC000116852786 383901497 /nfs/dbraw/zinc/90/14/97/383901497.db2.gz NJRJAQPQIAAKOK-DZGCQCFKSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@@H](C)NC(=O)[C@@H](CCC)c1ccccc1 ZINC000116852788 383901532 /nfs/dbraw/zinc/90/15/32/383901532.db2.gz NJRJAQPQIAAKOK-HIFRSBDPSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@@H](C)NC(=O)[C@H](CCC)c1ccccc1 ZINC000116852789 383886613 /nfs/dbraw/zinc/88/66/13/383886613.db2.gz NJRJAQPQIAAKOK-UKRRQHHQSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@H](C)NC(=O)[C@@H](C)CC1CCCCC1 ZINC000116853450 370847408 /nfs/dbraw/zinc/84/74/08/370847408.db2.gz HODZSJOBWSWAOZ-STQMWFEESA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@@H](C)NC(=O)[C@@H](C)CC1CCCCC1 ZINC000116853451 370846975 /nfs/dbraw/zinc/84/69/75/370846975.db2.gz HODZSJOBWSWAOZ-QWHCGFSZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](C)NC(=O)[C@H](C)CC1CCCCC1 ZINC000116853453 370847616 /nfs/dbraw/zinc/84/76/16/370847616.db2.gz HODZSJOBWSWAOZ-OLZOCXBDSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@@H](C)NC(=O)[C@H](C)CC1CCCCC1 ZINC000116853455 370847529 /nfs/dbraw/zinc/84/75/29/370847529.db2.gz HODZSJOBWSWAOZ-CHWSQXEVSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](C)NC(=O)C[C@H](CC)c1ccccc1 ZINC000116853596 387910801 /nfs/dbraw/zinc/91/08/01/387910801.db2.gz QMDYUVSTGVDGBT-KBPBESRZSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@H](C)NC(=O)C[C@@H](CC)c1ccccc1 ZINC000116853598 387911885 /nfs/dbraw/zinc/91/18/85/387911885.db2.gz QMDYUVSTGVDGBT-UONOGXRCSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@@H](C)NC(=O)C[C@H](CC)c1ccccc1 ZINC000116853599 323807012 /nfs/dbraw/zinc/80/70/12/323807012.db2.gz QMDYUVSTGVDGBT-KGLIPLIRSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@@H](C)NC(=O)C[C@@H](CC)c1ccccc1 ZINC000116853601 387912088 /nfs/dbraw/zinc/91/20/88/387912088.db2.gz QMDYUVSTGVDGBT-ZIAGYGMSSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@H](C)NC(=O)[C@@H](CC)CC1CCCC1 ZINC000116855081 323807113 /nfs/dbraw/zinc/80/71/13/323807113.db2.gz METULEWCWQTKSP-JSGCOSHPSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](C)NC(=O)[C@H](CC)CC1CCCC1 ZINC000116855082 387913288 /nfs/dbraw/zinc/91/32/88/387913288.db2.gz METULEWCWQTKSP-GXTWGEPZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@@H](C)NC(=O)[C@@H](CC)CC1CCCC1 ZINC000116855084 387912715 /nfs/dbraw/zinc/91/27/15/387912715.db2.gz METULEWCWQTKSP-OCCSQVGLSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@@H](C)NC(=O)[C@H](CC)CC1CCCC1 ZINC000116855085 323807095 /nfs/dbraw/zinc/80/70/95/323807095.db2.gz METULEWCWQTKSP-TZMCWYRMSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](C)NC(=O)c1csc2ccccc21 ZINC000116856063 534350161 /nfs/dbraw/zinc/35/01/61/534350161.db2.gz HVJYYOJPOVJUMJ-JTQLQIEISA-N 0 0 245.347 3.596 20 30 BHEDRN C=CC[C@@H](C)NC(=O)c1csc2ccccc21 ZINC000116856066 534887032 /nfs/dbraw/zinc/88/70/32/534887032.db2.gz HVJYYOJPOVJUMJ-SNVBAGLBSA-N 0 0 245.347 3.596 20 30 BHEDRN C=CC[C@H](C)NC(=O)c1cccc2ccccc21 ZINC000116856470 370847177 /nfs/dbraw/zinc/84/71/77/370847177.db2.gz CRZJDAIINXSIMB-LBPRGKRZSA-N 0 0 239.318 3.534 20 30 BHEDRN C=CC[C@@H](C)NC(=O)c1cccc2ccccc21 ZINC000116856473 370847560 /nfs/dbraw/zinc/84/75/60/370847560.db2.gz CRZJDAIINXSIMB-GFCCVEGCSA-N 0 0 239.318 3.534 20 30 BHEDRN C=CC[C@H](C)NC(=O)c1ccc2ccccc2c1 ZINC000116858303 370846927 /nfs/dbraw/zinc/84/69/27/370846927.db2.gz ZIUXMDRYWRVIED-LBPRGKRZSA-N 0 0 239.318 3.534 20 30 BHEDRN C=CC[C@@H](C)NC(=O)c1ccc2ccccc2c1 ZINC000116858305 370847631 /nfs/dbraw/zinc/84/76/31/370847631.db2.gz ZIUXMDRYWRVIED-GFCCVEGCSA-N 0 0 239.318 3.534 20 30 BHEDRN C=CC[C@H](C)NC(=O)c1ccc(C(C)C)cc1 ZINC000116860023 370847198 /nfs/dbraw/zinc/84/71/98/370847198.db2.gz ODBLCZNNVMKRCL-LBPRGKRZSA-N 0 0 231.339 3.504 20 30 BHEDRN C=CC[C@@H](C)NC(=O)c1ccc(C(C)C)cc1 ZINC000116860025 370847465 /nfs/dbraw/zinc/84/74/65/370847465.db2.gz ODBLCZNNVMKRCL-GFCCVEGCSA-N 0 0 231.339 3.504 20 30 BHEDRN C=CC[C@H](C)NC(=O)c1sccc1C(C)C ZINC000116862390 534349548 /nfs/dbraw/zinc/34/95/48/534349548.db2.gz MZCXCIHSIJCSQJ-JTQLQIEISA-N 0 0 237.368 3.566 20 30 BHEDRN C=CC[C@@H](C)NC(=O)c1sccc1C(C)C ZINC000116862392 534886912 /nfs/dbraw/zinc/88/69/12/534886912.db2.gz MZCXCIHSIJCSQJ-SNVBAGLBSA-N 0 0 237.368 3.566 20 30 BHEDRN COCCCCCSCc1cccc(C#N)c1 ZINC000116910555 174185923 /nfs/dbraw/zinc/18/59/23/174185923.db2.gz ODTWPJSRIQTYBH-UHFFFAOYSA-N 0 0 249.379 3.608 20 30 BHEDRN COCCCCCSCc1ccc(C#N)cc1 ZINC000116911100 174185934 /nfs/dbraw/zinc/18/59/34/174185934.db2.gz SXSSOVLDJKXPGW-UHFFFAOYSA-N 0 0 249.379 3.608 20 30 BHEDRN C=CC[C@H](C)NC(=O)Nc1c(C)cc(C)cc1C ZINC000116996130 384131771 /nfs/dbraw/zinc/13/17/71/384131771.db2.gz QJXGPDXWLPTVIO-ZDUSSCGKSA-N 0 0 246.354 3.698 20 30 BHEDRN C=CC[C@@H](C)NC(=O)Nc1c(C)cc(C)cc1C ZINC000116996132 133446274 /nfs/dbraw/zinc/44/62/74/133446274.db2.gz QJXGPDXWLPTVIO-CYBMUJFWSA-N 0 0 246.354 3.698 20 30 BHEDRN C=CC[C@H](C)NC(=O)Nc1c(C)cccc1CC ZINC000116996207 384138033 /nfs/dbraw/zinc/13/80/33/384138033.db2.gz VLOPZRSPLGXYCE-LBPRGKRZSA-N 0 0 246.354 3.644 20 30 BHEDRN C=CC[C@@H](C)NC(=O)Nc1c(C)cccc1CC ZINC000116996210 384130078 /nfs/dbraw/zinc/13/00/78/384130078.db2.gz VLOPZRSPLGXYCE-GFCCVEGCSA-N 0 0 246.354 3.644 20 30 BHEDRN C=CC[C@H](C)NC(=O)Nc1ccc(C(C)C)cc1 ZINC000116996532 370861288 /nfs/dbraw/zinc/86/12/88/370861288.db2.gz KBZVOHVHXJEREW-LBPRGKRZSA-N 0 0 246.354 3.896 20 30 BHEDRN C=CC[C@@H](C)NC(=O)Nc1ccc(C(C)C)cc1 ZINC000116996534 370861627 /nfs/dbraw/zinc/86/16/27/370861627.db2.gz KBZVOHVHXJEREW-GFCCVEGCSA-N 0 0 246.354 3.896 20 30 BHEDRN C=CC[C@H](C)NC(=O)Nc1ccccc1C(C)C ZINC000116996611 384129600 /nfs/dbraw/zinc/12/96/00/384129600.db2.gz JACXVYLZUBAKJQ-LBPRGKRZSA-N 0 0 246.354 3.896 20 30 BHEDRN C=CC[C@@H](C)NC(=O)Nc1ccccc1C(C)C ZINC000116996612 384132112 /nfs/dbraw/zinc/13/21/12/384132112.db2.gz JACXVYLZUBAKJQ-GFCCVEGCSA-N 0 0 246.354 3.896 20 30 BHEDRN C=CC[C@H](C)NC(=O)Nc1cccc(C(C)C)c1 ZINC000116998329 370861902 /nfs/dbraw/zinc/86/19/02/370861902.db2.gz PIJAILKUCCHPJN-LBPRGKRZSA-N 0 0 246.354 3.896 20 30 BHEDRN C=CC[C@@H](C)NC(=O)Nc1cccc(C(C)C)c1 ZINC000116998333 370861771 /nfs/dbraw/zinc/86/17/71/370861771.db2.gz PIJAILKUCCHPJN-GFCCVEGCSA-N 0 0 246.354 3.896 20 30 BHEDRN C=CC[C@H](C)NC(=O)Nc1ccccc1CCC ZINC000116999658 323893448 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KDNSMURTCQJIPY-ZDUSSCGKSA-N 0 0 238.375 3.545 20 30 BHEDRN C=CCC(CC=C)C(=O)N(C)c1ccc(F)cc1 ZINC000125314304 386774976 /nfs/dbraw/zinc/77/49/76/386774976.db2.gz WHNQTABMIQMHKG-UHFFFAOYSA-N 0 0 247.313 3.557 20 30 BHEDRN CCCCCCCSc1nnc(C)s1 ZINC000125363639 644116114 /nfs/dbraw/zinc/11/61/14/644116114.db2.gz QNRUWGLJWGVTCH-UHFFFAOYSA-N 0 0 230.402 3.909 20 30 BHEDRN CCCCCCCCSc1nncs1 ZINC000125365327 644116586 /nfs/dbraw/zinc/11/65/86/644116586.db2.gz HEPAGWYSIPYQGZ-UHFFFAOYSA-N 0 0 230.402 3.991 20 30 BHEDRN CCCCCCCSc1nncs1 ZINC000125365557 711724595 /nfs/dbraw/zinc/72/45/95/711724595.db2.gz VAXSWYKFWCHTFP-UHFFFAOYSA-N 0 0 216.375 3.601 20 30 BHEDRN Cc1ccc2c(c1)C(=O)/C(=C\c1cccnc1)CC2 ZINC000125411133 590163749 /nfs/dbraw/zinc/16/37/49/590163749.db2.gz OXIUGWFADKSEPX-GDNBJRDFSA-N 0 0 249.313 3.603 20 30 BHEDRN C=C(CC)COc1ccc(C(C)=O)cc1C ZINC000125416087 324641183 /nfs/dbraw/zinc/64/11/83/324641183.db2.gz XBPKEDFOBIFJLU-UHFFFAOYSA-N 0 0 218.296 3.543 20 30 BHEDRN N#Cc1ccc(OCCC(F)(F)F)cc1Cl ZINC000125465544 181127248 /nfs/dbraw/zinc/12/72/48/181127248.db2.gz OBLOYCZIRMEGLB-UHFFFAOYSA-N 0 0 249.619 3.543 20 30 BHEDRN CC(C)c1ccc([C@@H]2CCCN2CCC#N)cc1 ZINC000125506881 358540799 /nfs/dbraw/zinc/54/07/99/358540799.db2.gz FWLIAMPBUJQXLF-INIZCTEOSA-N 0 0 242.366 3.861 20 30 BHEDRN CC(C)c1ccc([C@H]2CCCN2CCC#N)cc1 ZINC000125507118 358541132 /nfs/dbraw/zinc/54/11/32/358541132.db2.gz FWLIAMPBUJQXLF-MRXNPFEDSA-N 0 0 242.366 3.861 20 30 BHEDRN C/C=C/CSCc1cc(F)ccc1C#N ZINC000125533824 188085236 /nfs/dbraw/zinc/08/52/36/188085236.db2.gz GHDNMLCDZACLBC-NSCUHMNNSA-N 0 0 221.300 3.507 20 30 BHEDRN CCCCCCCSc1nncn1C1CC1 ZINC000125551043 634542157 /nfs/dbraw/zinc/54/21/57/634542157.db2.gz MRHJYWCXBRUMRC-UHFFFAOYSA-N 0 0 239.388 3.676 20 30 BHEDRN CCCCCCCSc1nnc(C2CC2)[nH]1 ZINC000125573772 644126511 /nfs/dbraw/zinc/12/65/11/644126511.db2.gz YMMAZAJWKGIWBA-UHFFFAOYSA-N 0 0 239.388 3.745 20 30 BHEDRN C=CCCSCc1cc(F)ccc1C#N ZINC000125676126 386875806 /nfs/dbraw/zinc/87/58/06/386875806.db2.gz ZJELARYNZNEUNR-UHFFFAOYSA-N 0 0 221.300 3.507 20 30 BHEDRN N#Cc1ccsc1NC(=O)CC1CCCCC1 ZINC000125691501 181160720 /nfs/dbraw/zinc/16/07/20/181160720.db2.gz LVDSIKIBHAOSII-UHFFFAOYSA-N 0 0 248.351 3.529 20 30 BHEDRN CCCCCCC(=O)Nc1cc(C#N)ccc1C ZINC000125745921 590186622 /nfs/dbraw/zinc/18/66/22/590186622.db2.gz YOBISXDBDCBBRR-UHFFFAOYSA-N 0 0 244.338 3.776 20 30 BHEDRN C=C(C)CSCc1cc(F)ccc1C#N ZINC000125776224 324654150 /nfs/dbraw/zinc/65/41/50/324654150.db2.gz OWHBJIMCDRSZBZ-UHFFFAOYSA-N 0 0 221.300 3.507 20 30 BHEDRN CCCCCCCOc1cccnc1F ZINC000126116335 590231287 /nfs/dbraw/zinc/23/12/87/590231287.db2.gz MWXQYOHPVNOCMP-UHFFFAOYSA-N 0 0 211.280 3.570 20 30 BHEDRN N#Cc1cccc(COc2ccc3[nH]ccc3c2)c1 ZINC000126495153 323163857 /nfs/dbraw/zinc/16/38/57/323163857.db2.gz NXGJVACQTJOSGB-UHFFFAOYSA-N 0 0 248.285 3.619 20 30 BHEDRN N#Cc1ccc(COc2ccc3[nH]ccc3c2)cc1 ZINC000126506275 388827996 /nfs/dbraw/zinc/82/79/96/388827996.db2.gz UJPYRRGDNDISAH-UHFFFAOYSA-N 0 0 248.285 3.619 20 30 BHEDRN N#Cc1ccccc1COc1ccc2[nH]ccc2c1 ZINC000126507454 181146522 /nfs/dbraw/zinc/14/65/22/181146522.db2.gz KTECTIXDXLUEFG-UHFFFAOYSA-N 0 0 248.285 3.619 20 30 BHEDRN CC(C)(C#N)CCCOc1ccc2[nH]ccc2c1 ZINC000126522085 345122953 /nfs/dbraw/zinc/12/29/53/345122953.db2.gz PULPGVIKBJVFTD-UHFFFAOYSA-N 0 0 242.322 3.877 20 30 BHEDRN C=C(C)CN(CC)C(=O)c1ccc(CCC)cc1 ZINC000126684328 388699566 /nfs/dbraw/zinc/69/95/66/388699566.db2.gz JRUDFWPIBIQOMG-UHFFFAOYSA-N 0 0 245.366 3.677 20 30 BHEDRN CCCCCCCCCCC(=O)N1CCC1 ZINC000126779729 631345440 /nfs/dbraw/zinc/34/54/40/631345440.db2.gz ZUZFDQSENMMUPD-UHFFFAOYSA-N 0 0 225.376 3.750 20 30 BHEDRN CCCCCCCCCn1ccnc1C#N ZINC000126817521 590461267 /nfs/dbraw/zinc/46/12/67/590461267.db2.gz ZKIHRLNVBIXEEY-UHFFFAOYSA-N 0 0 219.332 3.505 20 30 BHEDRN C=CCSCc1nc(C(C)(C)C)cs1 ZINC000126869074 388706487 /nfs/dbraw/zinc/70/64/87/388706487.db2.gz PJRNSPCAFHNMNS-UHFFFAOYSA-N 0 0 227.398 3.860 20 30 BHEDRN C=CCCCSCc1nc(C)cs1 ZINC000126872123 344185076 /nfs/dbraw/zinc/18/50/76/344185076.db2.gz JRGJGRXBZLIALI-UHFFFAOYSA-N 0 0 213.371 3.651 20 30 BHEDRN C=CCC[C@H](C)Nc1ccc(OCC)cc1 ZINC000126887587 590490861 /nfs/dbraw/zinc/49/08/61/590490861.db2.gz OCZIXOMDFUXIEP-LBPRGKRZSA-N 0 0 219.328 3.852 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccc(OCC)cc1 ZINC000126887808 590490738 /nfs/dbraw/zinc/49/07/38/590490738.db2.gz OCZIXOMDFUXIEP-GFCCVEGCSA-N 0 0 219.328 3.852 20 30 BHEDRN C=CCC[C@H](C)Nc1ccc(F)cc1OC ZINC000126888092 324730276 /nfs/dbraw/zinc/73/02/76/324730276.db2.gz WSYHAALFJUHNAV-JTQLQIEISA-N 0 0 223.291 3.601 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccc(F)cc1OC ZINC000126888313 388708442 /nfs/dbraw/zinc/70/84/42/388708442.db2.gz WSYHAALFJUHNAV-SNVBAGLBSA-N 0 0 223.291 3.601 20 30 BHEDRN C=CCC[C@H](C)Nc1ccc(OC)c(F)c1 ZINC000126889655 590491102 /nfs/dbraw/zinc/49/11/02/590491102.db2.gz XUHGCKHRWQMKHN-JTQLQIEISA-N 0 0 223.291 3.601 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccc(OC)c(F)c1 ZINC000126889889 590490511 /nfs/dbraw/zinc/49/05/11/590490511.db2.gz XUHGCKHRWQMKHN-SNVBAGLBSA-N 0 0 223.291 3.601 20 30 BHEDRN C=CCC[C@H](C)Nc1cccc(OCC)c1 ZINC000126890118 324730437 /nfs/dbraw/zinc/73/04/37/324730437.db2.gz LSOCOLBWLIVUKI-LBPRGKRZSA-N 0 0 219.328 3.852 20 30 BHEDRN C=CCC[C@@H](C)Nc1cccc(OCC)c1 ZINC000126890334 324730207 /nfs/dbraw/zinc/73/02/07/324730207.db2.gz LSOCOLBWLIVUKI-GFCCVEGCSA-N 0 0 219.328 3.852 20 30 BHEDRN C=CCC[C@H](C)Nc1cccc(COC)c1 ZINC000126890555 353254392 /nfs/dbraw/zinc/25/43/92/353254392.db2.gz YEPYGTAPHILOHB-LBPRGKRZSA-N 0 0 219.328 3.600 20 30 BHEDRN C=CCC[C@@H](C)Nc1cccc(COC)c1 ZINC000126890757 133642236 /nfs/dbraw/zinc/64/22/36/133642236.db2.gz YEPYGTAPHILOHB-GFCCVEGCSA-N 0 0 219.328 3.600 20 30 BHEDRN C=CCC[C@H](C)Nc1ccccc1OCC ZINC000126894403 388708406 /nfs/dbraw/zinc/70/84/06/388708406.db2.gz KSTHLIGAJUFVSZ-LBPRGKRZSA-N 0 0 219.328 3.852 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccccc1OCC ZINC000126894642 388707661 /nfs/dbraw/zinc/70/76/61/388707661.db2.gz KSTHLIGAJUFVSZ-GFCCVEGCSA-N 0 0 219.328 3.852 20 30 BHEDRN C=CCC[C@H](C)Nc1ccccc1N(C)C ZINC000126896863 388708642 /nfs/dbraw/zinc/70/86/42/388708642.db2.gz YQZPBROWHYEEGD-LBPRGKRZSA-N 0 0 218.344 3.519 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccccc1N(C)C ZINC000126897069 323174084 /nfs/dbraw/zinc/17/40/84/323174084.db2.gz YQZPBROWHYEEGD-GFCCVEGCSA-N 0 0 218.344 3.519 20 30 BHEDRN C=CCC[C@H](C)Nc1ccc(N(C)C)cc1 ZINC000126900692 590493025 /nfs/dbraw/zinc/49/30/25/590493025.db2.gz CHDSEARPHSJZMS-LBPRGKRZSA-N 0 0 218.344 3.519 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccc(N(C)C)cc1 ZINC000126900911 590492221 /nfs/dbraw/zinc/49/22/21/590492221.db2.gz CHDSEARPHSJZMS-GFCCVEGCSA-N 0 0 218.344 3.519 20 30 BHEDRN C=CCC[C@H](C)Nc1cc(C)ccc1OC ZINC000126901610 324731654 /nfs/dbraw/zinc/73/16/54/324731654.db2.gz IKHGIQKEQYZFFY-LBPRGKRZSA-N 0 0 219.328 3.770 20 30 BHEDRN C=CCC[C@@H](C)Nc1cc(C)ccc1OC ZINC000126901821 388707848 /nfs/dbraw/zinc/70/78/48/388707848.db2.gz IKHGIQKEQYZFFY-GFCCVEGCSA-N 0 0 219.328 3.770 20 30 BHEDRN C=CCC[C@H](C)Nc1ccc(OC)cc1C ZINC000126902580 590492314 /nfs/dbraw/zinc/49/23/14/590492314.db2.gz IZURQTZRFQAVSX-LBPRGKRZSA-N 0 0 219.328 3.770 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccc(OC)cc1C ZINC000126902809 583575447 /nfs/dbraw/zinc/57/54/47/583575447.db2.gz IZURQTZRFQAVSX-GFCCVEGCSA-N 0 0 219.328 3.770 20 30 BHEDRN C=CC[N@@H+](CC(C)C)[C@@H]1CCCc2cccnc21 ZINC000126989102 388710526 /nfs/dbraw/zinc/71/05/26/388710526.db2.gz JJKDKCJOEPXKHB-OAHLLOKOSA-N 0 0 244.382 3.603 20 30 BHEDRN CC(C)(C#N)CCCSc1cccc(O)c1 ZINC000126989193 345150028 /nfs/dbraw/zinc/15/00/28/345150028.db2.gz FJOJHORORIEIPK-UHFFFAOYSA-N 0 0 235.352 3.814 20 30 BHEDRN C=CC[N@@H+](CC(C)C)[C@H]1CCCc2cccnc21 ZINC000126989340 388710703 /nfs/dbraw/zinc/71/07/03/388710703.db2.gz JJKDKCJOEPXKHB-HNNXBMFYSA-N 0 0 244.382 3.603 20 30 BHEDRN C=CCN(C(=O)c1ccc(F)cc1C)C(C)(C)C ZINC000127030648 342815152 /nfs/dbraw/zinc/81/51/52/342815152.db2.gz PEVHMAZTASTJEN-UHFFFAOYSA-N 0 0 249.329 3.561 20 30 BHEDRN CC(C)c1ccc([C@H](NCC#N)C(C)C)cc1 ZINC000127041559 388712038 /nfs/dbraw/zinc/71/20/38/388712038.db2.gz YPGDFOLWPVFDRW-OAHLLOKOSA-N 0 0 230.355 3.620 20 30 BHEDRN CC(C)c1ccc([C@@H](NCC#N)C(C)C)cc1 ZINC000127041754 491132039 /nfs/dbraw/zinc/13/20/39/491132039.db2.gz YPGDFOLWPVFDRW-HNNXBMFYSA-N 0 0 230.355 3.620 20 30 BHEDRN CC[C@@H](C#N)Sc1ccc2ccccc2n1 ZINC000127045298 344187021 /nfs/dbraw/zinc/18/70/21/344187021.db2.gz KVPGHVYQEVOUFN-NSHDSACASA-N 0 0 228.320 3.629 20 30 BHEDRN CC[C@H](C#N)Sc1ccc2ccccc2n1 ZINC000127045520 344186935 /nfs/dbraw/zinc/18/69/35/344186935.db2.gz KVPGHVYQEVOUFN-LLVKDONJSA-N 0 0 228.320 3.629 20 30 BHEDRN CC[C@@H](C#N)Sc1cc(C)c2ccccc2n1 ZINC000127104365 324745408 /nfs/dbraw/zinc/74/54/08/324745408.db2.gz YNWLCTLNORVHKE-NSHDSACASA-N 0 0 242.347 3.938 20 30 BHEDRN CC[C@H](C#N)Sc1cc(C)c2ccccc2n1 ZINC000127104601 388714676 /nfs/dbraw/zinc/71/46/76/388714676.db2.gz YNWLCTLNORVHKE-LLVKDONJSA-N 0 0 242.347 3.938 20 30 BHEDRN C=C(Cl)COc1ccc(C(C)=O)cc1Cl ZINC000127148034 590576116 /nfs/dbraw/zinc/57/61/16/590576116.db2.gz CWGJYJYPVKGMHB-UHFFFAOYSA-N 0 0 245.105 3.674 20 30 BHEDRN C=C(CC)COc1ccc(C(C)=O)cc1Cl ZINC000127150827 388715593 /nfs/dbraw/zinc/71/55/93/388715593.db2.gz WGAKXZKCGXSEMR-UHFFFAOYSA-N 0 0 238.714 3.888 20 30 BHEDRN C=CCCCCCN(C)C(=O)c1cc(C)c(C)o1 ZINC000127240278 324755104 /nfs/dbraw/zinc/75/51/04/324755104.db2.gz SNSJVUYICFLLNM-UHFFFAOYSA-N 0 0 249.354 3.715 20 30 BHEDRN CCSCC[C@@H](C)Nc1ccc(C#N)cc1 ZINC000127339356 387100003 /nfs/dbraw/zinc/10/00/03/387100003.db2.gz NDZGLSUOJPEBQS-LLVKDONJSA-N 0 0 234.368 3.502 20 30 BHEDRN CCSCC[C@H](C)Nc1ccc(C#N)cc1 ZINC000127339591 384740650 /nfs/dbraw/zinc/74/06/50/384740650.db2.gz NDZGLSUOJPEBQS-NSHDSACASA-N 0 0 234.368 3.502 20 30 BHEDRN CC[C@@H](C#N)SC1=Nc2ccccc2CS1 ZINC000127339670 345175150 /nfs/dbraw/zinc/17/51/50/345175150.db2.gz PQDYJRNXIBQQHW-JTQLQIEISA-N 0 0 248.376 3.956 20 30 BHEDRN CC[C@H](C#N)SC1=Nc2ccccc2CS1 ZINC000127339834 345174563 /nfs/dbraw/zinc/17/45/63/345174563.db2.gz PQDYJRNXIBQQHW-SNVBAGLBSA-N 0 0 248.376 3.956 20 30 BHEDRN C=C(C)CSCCOc1ccccc1F ZINC000127360564 388721911 /nfs/dbraw/zinc/72/19/11/388721911.db2.gz KUBRUGKXZLELJY-UHFFFAOYSA-N 0 0 226.316 3.514 20 30 BHEDRN CCCCCCC[S@@](=O)c1cccc(F)c1 ZINC000127427238 590657243 /nfs/dbraw/zinc/65/72/43/590657243.db2.gz FIHUXRJPOPUREC-INIZCTEOSA-N 0 0 242.359 3.904 20 30 BHEDRN CCCCCCC[S@](=O)c1cccc(F)c1 ZINC000127427450 590657015 /nfs/dbraw/zinc/65/70/15/590657015.db2.gz FIHUXRJPOPUREC-MRXNPFEDSA-N 0 0 242.359 3.904 20 30 BHEDRN C=C(C)CSCc1nc(-c2ccccc2)no1 ZINC000127451842 324768442 /nfs/dbraw/zinc/76/84/42/324768442.db2.gz WTGZOMLIWXDHGC-UHFFFAOYSA-N 0 0 246.335 3.546 20 30 BHEDRN CC[C@@H](CC#N)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000127463223 590676929 /nfs/dbraw/zinc/67/69/29/590676929.db2.gz LQFMMTMWZAZTMS-GXTWGEPZSA-N 0 0 248.757 3.609 20 30 BHEDRN CC[C@H](CC#N)N[C@@H]1CCc2cc(Cl)ccc21 ZINC000127463474 590676593 /nfs/dbraw/zinc/67/65/93/590676593.db2.gz LQFMMTMWZAZTMS-TZMCWYRMSA-N 0 0 248.757 3.609 20 30 BHEDRN CC[C@@H](CC#N)N[C@H]1CCc2cc(Cl)ccc21 ZINC000127463741 590676796 /nfs/dbraw/zinc/67/67/96/590676796.db2.gz LQFMMTMWZAZTMS-JSGCOSHPSA-N 0 0 248.757 3.609 20 30 BHEDRN CC[C@H](CC#N)N[C@H]1CCc2cc(Cl)ccc21 ZINC000127463926 590676889 /nfs/dbraw/zinc/67/68/89/590676889.db2.gz LQFMMTMWZAZTMS-OCCSQVGLSA-N 0 0 248.757 3.609 20 30 BHEDRN C=CCSCc1nnc(-c2ccccc2)s1 ZINC000127540331 324772631 /nfs/dbraw/zinc/77/26/31/324772631.db2.gz DWXMYLYNFVHRPY-UHFFFAOYSA-N 0 0 248.376 3.624 20 30 BHEDRN C#CCCCCCOC(=O)[C@@H](C)c1ccccc1 ZINC000127555670 590705387 /nfs/dbraw/zinc/70/53/87/590705387.db2.gz INNYRDVDPJJPAH-AWEZNQCLSA-N 0 0 244.334 3.527 20 30 BHEDRN C#CCCCCCOC(=O)[C@H](C)c1ccccc1 ZINC000127555905 590706328 /nfs/dbraw/zinc/70/63/28/590706328.db2.gz INNYRDVDPJJPAH-CQSZACIVSA-N 0 0 244.334 3.527 20 30 BHEDRN CC[C@@H](C#N)SCc1cccc(Cl)c1 ZINC000127558502 385135561 /nfs/dbraw/zinc/13/55/61/385135561.db2.gz GZARNGCBTHQZBM-NSHDSACASA-N 0 0 225.744 3.875 20 30 BHEDRN CC[C@H](C#N)SCc1cccc(Cl)c1 ZINC000127558715 385136537 /nfs/dbraw/zinc/13/65/37/385136537.db2.gz GZARNGCBTHQZBM-LLVKDONJSA-N 0 0 225.744 3.875 20 30 BHEDRN N#CC1(COC(=O)C2=CCCCCC2)CCCC1 ZINC000127584165 590714857 /nfs/dbraw/zinc/71/48/57/590714857.db2.gz IERWXOQGZLUXRL-UHFFFAOYSA-N 0 0 247.338 3.504 20 30 BHEDRN CCN(CCC#N)Cc1cc2ccccc2s1 ZINC000127605800 384923416 /nfs/dbraw/zinc/92/34/16/384923416.db2.gz NDSCDBDCGCQPGL-UHFFFAOYSA-N 0 0 244.363 3.637 20 30 BHEDRN CC[C@@H](C#N)Sc1ccnc2ccccc21 ZINC000127635950 343737164 /nfs/dbraw/zinc/73/71/64/343737164.db2.gz IGFOJGMXDRDWMP-JTQLQIEISA-N 0 0 228.320 3.629 20 30 BHEDRN CC[C@H](C#N)Sc1ccnc2ccccc21 ZINC000127636141 343737213 /nfs/dbraw/zinc/73/72/13/343737213.db2.gz IGFOJGMXDRDWMP-SNVBAGLBSA-N 0 0 228.320 3.629 20 30 BHEDRN CCCCCCCC(=O)NC(C)(C)CC ZINC000127648375 636654355 /nfs/dbraw/zinc/65/43/55/636654355.db2.gz DIFPAAQOIORLHJ-UHFFFAOYSA-N 0 0 213.365 3.652 20 30 BHEDRN CCCCCCC(=O)Nc1sccc1C#N ZINC000127676206 590749565 /nfs/dbraw/zinc/74/95/65/590749565.db2.gz GAJVLDSYZDTCDS-UHFFFAOYSA-N 0 0 236.340 3.529 20 30 BHEDRN CC[C@@H](C#N)SCc1cc(C)ccc1C ZINC000127720564 388729932 /nfs/dbraw/zinc/72/99/32/388729932.db2.gz FKSUMSPREJSEMU-ZDUSSCGKSA-N 0 0 219.353 3.839 20 30 BHEDRN CC[C@H](C#N)SCc1cc(C)ccc1C ZINC000127720825 388729615 /nfs/dbraw/zinc/72/96/15/388729615.db2.gz FKSUMSPREJSEMU-CYBMUJFWSA-N 0 0 219.353 3.839 20 30 BHEDRN CC[C@@H](C#N)SCCCc1ccccc1 ZINC000127728079 384937482 /nfs/dbraw/zinc/93/74/82/384937482.db2.gz HBJFSAHXKZGTNE-ZDUSSCGKSA-N 0 0 219.353 3.655 20 30 BHEDRN CC[C@H](C#N)SCCCc1ccccc1 ZINC000127728318 384939690 /nfs/dbraw/zinc/93/96/90/384939690.db2.gz HBJFSAHXKZGTNE-CYBMUJFWSA-N 0 0 219.353 3.655 20 30 BHEDRN CC[C@@H](C#N)Sc1nc2cc(C)ccc2o1 ZINC000127731122 388730027 /nfs/dbraw/zinc/73/00/27/388730027.db2.gz AOIKSVLKNPSNFB-VIFPVBQESA-N 0 0 232.308 3.531 20 30 BHEDRN CC[C@H](C#N)Sc1nc2cc(C)ccc2o1 ZINC000127731342 388730130 /nfs/dbraw/zinc/73/01/30/388730130.db2.gz AOIKSVLKNPSNFB-SECBINFHSA-N 0 0 232.308 3.531 20 30 BHEDRN CCCCCCCC(=O)N(C)CCCC ZINC000127747595 590768804 /nfs/dbraw/zinc/76/88/04/590768804.db2.gz XXULLCVORIZHRC-UHFFFAOYSA-N 0 0 213.365 3.605 20 30 BHEDRN C=C(C)COc1cccc(NCC(C)C)c1 ZINC000127764474 324787177 /nfs/dbraw/zinc/78/71/77/324787177.db2.gz MUKWGRYGBMAMFA-UHFFFAOYSA-N 0 0 219.328 3.709 20 30 BHEDRN CC[C@@H](C#N)Sc1ccc(C#N)cc1Cl ZINC000127809172 384949343 /nfs/dbraw/zinc/94/93/43/384949343.db2.gz GTMGPLYXIUQARP-VIFPVBQESA-N 0 0 236.727 3.606 20 30 BHEDRN CC[C@H](C#N)Sc1ccc(C#N)cc1Cl ZINC000127809403 384951154 /nfs/dbraw/zinc/95/11/54/384951154.db2.gz GTMGPLYXIUQARP-SECBINFHSA-N 0 0 236.727 3.606 20 30 BHEDRN CC[C@@H](C#N)SCc1cc(C)ccc1OC ZINC000127812607 384948098 /nfs/dbraw/zinc/94/80/98/384948098.db2.gz SIKJNHOYJBAJRX-LBPRGKRZSA-N 0 0 235.352 3.539 20 30 BHEDRN CC[C@H](C#N)SCc1cc(C)ccc1OC ZINC000127812853 384951068 /nfs/dbraw/zinc/95/10/68/384951068.db2.gz SIKJNHOYJBAJRX-GFCCVEGCSA-N 0 0 235.352 3.539 20 30 BHEDRN CC[C@@H](C#N)SCc1ccc(C)c(C)c1 ZINC000127813066 324789723 /nfs/dbraw/zinc/78/97/23/324789723.db2.gz OKGHIDAINSDWAV-ZDUSSCGKSA-N 0 0 219.353 3.839 20 30 BHEDRN CC[C@H](C#N)SCc1ccc(C)c(C)c1 ZINC000127813297 323005842 /nfs/dbraw/zinc/00/58/42/323005842.db2.gz OKGHIDAINSDWAV-CYBMUJFWSA-N 0 0 219.353 3.839 20 30 BHEDRN CC[C@@H](C#N)Sc1ncc(C(C)(C)C)s1 ZINC000127817114 384950023 /nfs/dbraw/zinc/95/00/23/384950023.db2.gz GCSHHFBXLNAUEA-QMMMGPOBSA-N 0 0 240.397 3.835 20 30 BHEDRN CC[C@H](C#N)Sc1ncc(C(C)(C)C)s1 ZINC000127817333 133472492 /nfs/dbraw/zinc/47/24/92/133472492.db2.gz GCSHHFBXLNAUEA-MRVPVSSYSA-N 0 0 240.397 3.835 20 30 BHEDRN C=C(Cl)CN([C@@H](C)c1ccco1)C1CC1 ZINC000127846926 385929385 /nfs/dbraw/zinc/92/93/85/385929385.db2.gz XQHFUJDFCRHECQ-JTQLQIEISA-N 0 0 225.719 3.558 20 30 BHEDRN C=C(Cl)CN([C@H](C)c1ccco1)C1CC1 ZINC000127847121 384954060 /nfs/dbraw/zinc/95/40/60/384954060.db2.gz XQHFUJDFCRHECQ-SNVBAGLBSA-N 0 0 225.719 3.558 20 30 BHEDRN C#CCCCCC(=O)NCC1(C)CCCCCC1 ZINC000127867328 590824646 /nfs/dbraw/zinc/82/46/46/590824646.db2.gz OLBMGJVFQOWRFA-UHFFFAOYSA-N 0 0 249.398 3.657 20 30 BHEDRN N#CCCSc1ccccc1NCC1CC1 ZINC000127925519 324795793 /nfs/dbraw/zinc/79/57/93/324795793.db2.gz GVZNVHHONLQRBH-UHFFFAOYSA-N 0 0 232.352 3.514 20 30 BHEDRN C[C@H](C#N)CSc1ccccc1NCC1CC1 ZINC000127927699 133473116 /nfs/dbraw/zinc/47/31/16/133473116.db2.gz ADUFVTBPAWLVJI-LLVKDONJSA-N 0 0 246.379 3.760 20 30 BHEDRN C[C@@H](C#N)CSc1ccccc1NCC1CC1 ZINC000127927919 384963896 /nfs/dbraw/zinc/96/38/96/384963896.db2.gz ADUFVTBPAWLVJI-NSHDSACASA-N 0 0 246.379 3.760 20 30 BHEDRN C[C@@H](CC#N)Sc1ccccc1NCC1CC1 ZINC000127933732 384968121 /nfs/dbraw/zinc/96/81/21/384968121.db2.gz YDHZUBFETXGXEQ-NSHDSACASA-N 0 0 246.379 3.903 20 30 BHEDRN C[C@H](CC#N)Sc1ccccc1NCC1CC1 ZINC000127933929 384966488 /nfs/dbraw/zinc/96/64/88/384966488.db2.gz YDHZUBFETXGXEQ-LLVKDONJSA-N 0 0 246.379 3.903 20 30 BHEDRN C=CCNc1cc(-c2nc(C)co2)ccc1C ZINC000127949588 343755313 /nfs/dbraw/zinc/75/53/13/343755313.db2.gz XZJBRURZDQAIPE-UHFFFAOYSA-N 0 0 228.295 3.556 20 30 BHEDRN N#Cc1ccc(NCCCCC(F)(F)F)cc1 ZINC000128113667 181120667 /nfs/dbraw/zinc/12/06/67/181120667.db2.gz UOVVUWACXRIRRY-UHFFFAOYSA-N 0 0 242.244 3.703 20 30 BHEDRN Cc1ccc(NCc2ccc(C#N)s2)c(F)c1 ZINC000128125632 384575932 /nfs/dbraw/zinc/57/59/32/384575932.db2.gz WUOUEWMZEZSURL-UHFFFAOYSA-N 0 0 246.310 3.679 20 30 BHEDRN Cc1ccc(NCC(C)(C)CCC#N)c(F)c1 ZINC000128130284 133645995 /nfs/dbraw/zinc/64/59/95/133645995.db2.gz BSPDLAROBDIWHJ-UHFFFAOYSA-N 0 0 234.318 3.876 20 30 BHEDRN C=CCCC(=O)N1CCCC[C@H]1CCC(C)C ZINC000128170441 388740138 /nfs/dbraw/zinc/74/01/38/388740138.db2.gz CFFPRAUIYQRYEN-AWEZNQCLSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCCC(=O)N1CCCC[C@@H]1CCC(C)C ZINC000128170702 324811252 /nfs/dbraw/zinc/81/12/52/324811252.db2.gz CFFPRAUIYQRYEN-CQSZACIVSA-N 0 0 237.387 3.770 20 30 BHEDRN Cc1ccc(F)c(NCc2ccc(C#N)s2)c1 ZINC000128184400 324811056 /nfs/dbraw/zinc/81/10/56/324811056.db2.gz QEHNWDGEPKARDD-UHFFFAOYSA-N 0 0 246.310 3.679 20 30 BHEDRN CCCCCCCn1ccc(C(F)(F)F)n1 ZINC000128193074 590920413 /nfs/dbraw/zinc/92/04/13/590920413.db2.gz IJKQGBNTUCMGBR-UHFFFAOYSA-N 0 0 234.265 3.872 20 30 BHEDRN Cc1ccc(F)c(NCC(C)(C)CCC#N)c1 ZINC000128193616 324812067 /nfs/dbraw/zinc/81/20/67/324812067.db2.gz UXQSGXZONDHUBG-UHFFFAOYSA-N 0 0 234.318 3.876 20 30 BHEDRN CCCCCCCCCNc1ccn(C)n1 ZINC000128339941 591000711 /nfs/dbraw/zinc/00/07/11/591000711.db2.gz OLYQXXVBWHZJFS-UHFFFAOYSA-N 0 0 223.364 3.583 20 30 BHEDRN CC[C@@H]1CCCCC[N@@H+]1Cc1ccc(C#N)s1 ZINC000128345373 385155343 /nfs/dbraw/zinc/15/53/43/385155343.db2.gz WDCWXQMFZJMXND-GFCCVEGCSA-N 0 0 248.395 3.774 20 30 BHEDRN CC(C)(C)[C@@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000128445367 385519596 /nfs/dbraw/zinc/51/95/96/385519596.db2.gz XLITZISWEWCTAK-LLVKDONJSA-N 0 0 246.329 3.570 20 30 BHEDRN CC(C)(C)[C@H]1CCN(c2cccc(F)c2C#N)C1 ZINC000128445561 385519432 /nfs/dbraw/zinc/51/94/32/385519432.db2.gz XLITZISWEWCTAK-NSHDSACASA-N 0 0 246.329 3.570 20 30 BHEDRN CC(C)(C)[C@@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000128449245 385519670 /nfs/dbraw/zinc/51/96/70/385519670.db2.gz ANTOEPCORCZZPI-GFCCVEGCSA-N 0 0 246.329 3.570 20 30 BHEDRN CC(C)(C)[C@H]1CCN(c2ccc(C#N)cc2F)C1 ZINC000128449476 324839137 /nfs/dbraw/zinc/83/91/37/324839137.db2.gz ANTOEPCORCZZPI-LBPRGKRZSA-N 0 0 246.329 3.570 20 30 BHEDRN CC(C)(C)[C@@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000128453511 324840070 /nfs/dbraw/zinc/84/00/70/324840070.db2.gz NIJFSEUSIBMMDC-GFCCVEGCSA-N 0 0 246.329 3.570 20 30 BHEDRN CC(C)(C)[C@H]1CCN(c2ccc(F)cc2C#N)C1 ZINC000128453725 385565317 /nfs/dbraw/zinc/56/53/17/385565317.db2.gz NIJFSEUSIBMMDC-LBPRGKRZSA-N 0 0 246.329 3.570 20 30 BHEDRN CCCCSCc1cc(C#N)ccc1OC ZINC000128463894 324842158 /nfs/dbraw/zinc/84/21/58/324842158.db2.gz QLGBCJNRZMBBID-UHFFFAOYSA-N 0 0 235.352 3.600 20 30 BHEDRN N#Cc1ccc(CNc2cccc(C(F)F)c2)o1 ZINC000128476486 187625457 /nfs/dbraw/zinc/62/54/57/187625457.db2.gz OQKUHVTWJQKRMD-UHFFFAOYSA-N 0 0 248.232 3.701 20 30 BHEDRN C=C(C)C[NH2+][C@@H](C)c1ccc(OC(C)C)cc1 ZINC000128479194 388763262 /nfs/dbraw/zinc/76/32/62/388763262.db2.gz CYTGTQHAQMTJAJ-ZDUSSCGKSA-N 0 0 233.355 3.701 20 30 BHEDRN C=C(C)C[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000128481721 353288696 /nfs/dbraw/zinc/28/86/96/353288696.db2.gz YUGMOYWGFKCDCE-JTQLQIEISA-N 0 0 241.281 3.515 20 30 BHEDRN C=C(C)C[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000128481941 353288801 /nfs/dbraw/zinc/28/88/01/353288801.db2.gz YUGMOYWGFKCDCE-SNVBAGLBSA-N 0 0 241.281 3.515 20 30 BHEDRN C=CCCSc1nnc(-c2ccccc2C)o1 ZINC000128543466 398068933 /nfs/dbraw/zinc/06/89/33/398068933.db2.gz SCRXXJPDRHHNIB-UHFFFAOYSA-N 0 0 246.335 3.713 20 30 BHEDRN N#C[C@H](SCc1ccco1)C1CCCCC1 ZINC000128553740 385048909 /nfs/dbraw/zinc/04/89/09/385048909.db2.gz YRCLKYIZCFALHJ-ZDUSSCGKSA-N 0 0 235.352 3.985 20 30 BHEDRN N#C[C@@H](SCc1ccco1)C1CCCCC1 ZINC000128553963 385049574 /nfs/dbraw/zinc/04/95/74/385049574.db2.gz YRCLKYIZCFALHJ-CYBMUJFWSA-N 0 0 235.352 3.985 20 30 BHEDRN N#Cc1cc(F)ccc1CSCc1ccco1 ZINC000128557957 188084930 /nfs/dbraw/zinc/08/49/30/188084930.db2.gz GCPBNRXDTAOCFI-UHFFFAOYSA-N 0 0 247.294 3.724 20 30 BHEDRN C=CCCSc1nnc(-c2ccc(C)cc2)o1 ZINC000128651899 349992848 /nfs/dbraw/zinc/99/28/48/349992848.db2.gz UCTJQRYEROPOEG-UHFFFAOYSA-N 0 0 246.335 3.713 20 30 BHEDRN C=CCCn1c2ccccc2nc1C(F)(F)F ZINC000128752775 324880594 /nfs/dbraw/zinc/88/05/94/324880594.db2.gz YARQCGLLXKGTFL-UHFFFAOYSA-N 0 0 240.228 3.631 20 30 BHEDRN C=CCCC(=O)Nc1cccc(CSCC)c1 ZINC000128813626 534627932 /nfs/dbraw/zinc/62/79/32/534627932.db2.gz QVPLHOHVZVLCON-UHFFFAOYSA-N 0 0 249.379 3.844 20 30 BHEDRN C=CCC(CC=C)C(=O)N1CCC[C@H]1CC(C)C ZINC000128830531 323081237 /nfs/dbraw/zinc/08/12/37/323081237.db2.gz KBRQSLIKXGLPJW-HNNXBMFYSA-N 0 0 249.398 3.792 20 30 BHEDRN C=CCC(CC=C)C(=O)N1CCC[C@@H]1CC(C)C ZINC000128830709 324889871 /nfs/dbraw/zinc/88/98/71/324889871.db2.gz KBRQSLIKXGLPJW-OAHLLOKOSA-N 0 0 249.398 3.792 20 30 BHEDRN CC(C)c1cnc(S[C@@H](C)C#N)n1C(C)C ZINC000128907081 358582999 /nfs/dbraw/zinc/58/29/99/358582999.db2.gz QTDAJCWTTIFHIQ-JTQLQIEISA-N 0 0 237.372 3.592 20 30 BHEDRN CC(C)c1cnc(S[C@H](C)C#N)n1C(C)C ZINC000128907252 134612101 /nfs/dbraw/zinc/61/21/01/134612101.db2.gz QTDAJCWTTIFHIQ-SNVBAGLBSA-N 0 0 237.372 3.592 20 30 BHEDRN C=CCSc1ncc(C(C)C)n1C(C)C ZINC000128912228 350888731 /nfs/dbraw/zinc/88/87/31/350888731.db2.gz UHQHLNSEQZQUDV-UHFFFAOYSA-N 0 0 224.373 3.866 20 30 BHEDRN CC(C)=CCOc1cc(Cl)ccc1C#N ZINC000128989537 398289963 /nfs/dbraw/zinc/28/99/63/398289963.db2.gz KSPQWERAHWADNA-UHFFFAOYSA-N 0 0 221.687 3.557 20 30 BHEDRN CCc1ccc2[nH]c(-c3ccc(C#N)cc3)nc2c1 ZINC000128992340 398188903 /nfs/dbraw/zinc/18/89/03/398188903.db2.gz UGQFIZJZFVLDHM-UHFFFAOYSA-N 0 0 247.301 3.664 20 30 BHEDRN C=CCC(CC=C)C(=O)N1CC[C@@H]2CCCC[C@@H]21 ZINC000128996878 343952685 /nfs/dbraw/zinc/95/26/85/343952685.db2.gz FTNPSCQTYGRZJE-ZFWWWQNUSA-N 0 0 247.382 3.546 20 30 BHEDRN C=C(CC)COc1cc(Cl)ccc1C#N ZINC000129001062 324905400 /nfs/dbraw/zinc/90/54/00/324905400.db2.gz NLLRGICXUPICEA-UHFFFAOYSA-N 0 0 221.687 3.557 20 30 BHEDRN CC(C)(C#N)CCOc1cc(Cl)ccc1C#N ZINC000129048407 385104399 /nfs/dbraw/zinc/10/43/99/385104399.db2.gz 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BHEDRN COCc1cccc(NCC(C)(C)CCC#N)c1 ZINC000135158683 136214248 /nfs/dbraw/zinc/21/42/48/136214248.db2.gz ZWLJGHBYCFIALA-UHFFFAOYSA-N 0 0 246.354 3.575 20 30 BHEDRN Fc1ccc(C#CCSCc2ccco2)cc1 ZINC000135240356 388486688 /nfs/dbraw/zinc/48/66/88/388486688.db2.gz ACGYNKJFFAQDRX-UHFFFAOYSA-N 0 0 246.306 3.704 20 30 BHEDRN C=C(C)CSCc1csc(C2CC2)n1 ZINC000135262252 345436689 /nfs/dbraw/zinc/43/66/89/345436689.db2.gz GMSFFJWTHCRJNF-UHFFFAOYSA-N 0 0 225.382 3.830 20 30 BHEDRN CCCCCCCOc1ccc(F)nc1 ZINC000135328354 592007543 /nfs/dbraw/zinc/00/75/43/592007543.db2.gz QLBHZHSMLBGZGK-UHFFFAOYSA-N 0 0 211.280 3.570 20 30 BHEDRN Cc1ccc(C#N)c(Oc2ccc(F)c(C)c2)n1 ZINC000135346501 344204932 /nfs/dbraw/zinc/20/49/32/344204932.db2.gz ADEZWYQDXQCTGS-UHFFFAOYSA-N 0 0 242.253 3.502 20 30 BHEDRN Cc1cc(OCc2cccc(C#N)c2)ccc1F ZINC000135347493 325408978 /nfs/dbraw/zinc/40/89/78/325408978.db2.gz NSXJBMWGJRLGLL-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN CCCCCCCCC(=O)NOC1CCCC1 ZINC000135355662 592009053 /nfs/dbraw/zinc/00/90/53/592009053.db2.gz YYWLHWCZZUSJOR-UHFFFAOYSA-N 0 0 241.375 3.727 20 30 BHEDRN C[C@@H](CNc1ccc(Cl)cc1C#N)C1CC1 ZINC000135471892 344441075 /nfs/dbraw/zinc/44/10/75/344441075.db2.gz OKGSATNFMBESSE-VIFPVBQESA-N 0 0 234.730 3.670 20 30 BHEDRN C[C@H](CNc1ccc(Cl)cc1C#N)C1CC1 ZINC000135471916 344441207 /nfs/dbraw/zinc/44/12/07/344441207.db2.gz OKGSATNFMBESSE-SECBINFHSA-N 0 0 234.730 3.670 20 30 BHEDRN CC(C)(C#N)CCCO/N=C/c1ccc(F)cc1 ZINC000135475126 534984635 /nfs/dbraw/zinc/98/46/35/534984635.db2.gz IUVZZGSNLCXKFI-LICLKQGHSA-N 0 0 248.301 3.506 20 30 BHEDRN Cc1ccccc1/C=N/OCCCC(C)(C)C#N ZINC000135475276 136214496 /nfs/dbraw/zinc/21/44/96/136214496.db2.gz GKWALJGMTMUJJL-GZTJUZNOSA-N 0 0 244.338 3.676 20 30 BHEDRN N#Cc1cc(Cl)ccc1NCCCC1CC1 ZINC000135476149 325414007 /nfs/dbraw/zinc/41/40/07/325414007.db2.gz UBNLRDMLFXRPQJ-UHFFFAOYSA-N 0 0 234.730 3.814 20 30 BHEDRN C=CCCCN(C)c1ccc(Cl)cc1C#N ZINC000135477051 325414073 /nfs/dbraw/zinc/41/40/73/325414073.db2.gz GNRDJZAQJQPPFW-UHFFFAOYSA-N 0 0 234.730 3.614 20 30 BHEDRN C=CCCCN(C)c1ccc(C#N)c(Cl)c1 ZINC000135477081 353560362 /nfs/dbraw/zinc/56/03/62/353560362.db2.gz WIKVMEZSYLABEL-UHFFFAOYSA-N 0 0 234.730 3.614 20 30 BHEDRN C=CCCCN(C)c1cc(Cl)ccc1C#N ZINC000135477149 388497714 /nfs/dbraw/zinc/49/77/14/388497714.db2.gz BRFZSVDXQNYHBS-UHFFFAOYSA-N 0 0 234.730 3.614 20 30 BHEDRN Cc1cc(C#N)ccc1OCCCC(C)(C)C#N ZINC000135496907 388498647 /nfs/dbraw/zinc/49/86/47/388498647.db2.gz QNTPJPKEPNCONO-UHFFFAOYSA-N 0 0 242.322 3.575 20 30 BHEDRN Cc1cccc(NCc2ccc(C#N)s2)c1 ZINC000135497062 344484106 /nfs/dbraw/zinc/48/41/06/344484106.db2.gz VWURQQOBYCJEEW-UHFFFAOYSA-N 0 0 228.320 3.540 20 30 BHEDRN CC[C@@H]1CCC[C@@H]1Nc1ccc(C#N)cc1 ZINC000135506410 325415995 /nfs/dbraw/zinc/41/59/95/325415995.db2.gz BDGZZJWQIOVEDW-OCCSQVGLSA-N 0 0 214.312 3.549 20 30 BHEDRN CC[C@H]1CCC[C@@H]1Nc1ccc(C#N)cc1 ZINC000135506429 385032263 /nfs/dbraw/zinc/03/22/63/385032263.db2.gz BDGZZJWQIOVEDW-JSGCOSHPSA-N 0 0 214.312 3.549 20 30 BHEDRN COc1ccc(OCCCC(C)(C)C#N)cc1C ZINC000135506442 345443561 /nfs/dbraw/zinc/44/35/61/345443561.db2.gz GCDPDUPJFIOPRH-UHFFFAOYSA-N 0 0 247.338 3.712 20 30 BHEDRN CC[C@@H]1CCC[C@H]1Nc1ccc(C#N)cc1 ZINC000135506451 325416101 /nfs/dbraw/zinc/41/61/01/325416101.db2.gz BDGZZJWQIOVEDW-TZMCWYRMSA-N 0 0 214.312 3.549 20 30 BHEDRN CC[C@H]1CCC[C@H]1Nc1ccc(C#N)cc1 ZINC000135506472 325416020 /nfs/dbraw/zinc/41/60/20/325416020.db2.gz BDGZZJWQIOVEDW-GXTWGEPZSA-N 0 0 214.312 3.549 20 30 BHEDRN Cc1ccccc1NCc1ccc(C#N)s1 ZINC000135510228 385033027 /nfs/dbraw/zinc/03/30/27/385033027.db2.gz SYQUOZIOFLJQPD-UHFFFAOYSA-N 0 0 228.320 3.540 20 30 BHEDRN N#Cc1ccc(CNc2cccc(Cl)c2)s1 ZINC000135510395 325416497 /nfs/dbraw/zinc/41/64/97/325416497.db2.gz BOHXWKQBTBNXEK-UHFFFAOYSA-N 0 0 248.738 3.885 20 30 BHEDRN N#Cc1ccc(CNc2ccccc2Cl)s1 ZINC000135512035 385035958 /nfs/dbraw/zinc/03/59/58/385035958.db2.gz WHWZPBPSQIJCBD-UHFFFAOYSA-N 0 0 248.738 3.885 20 30 BHEDRN N#Cc1ccc(CNc2ccc(Cl)cc2)s1 ZINC000135512057 325416456 /nfs/dbraw/zinc/41/64/56/325416456.db2.gz KVZIOJFEEABMBW-UHFFFAOYSA-N 0 0 248.738 3.885 20 30 BHEDRN C[C@H](Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000135515568 176932661 /nfs/dbraw/zinc/93/26/61/176932661.db2.gz BPUGNQMAIPYHDC-VIFPVBQESA-N 0 0 234.730 3.812 20 30 BHEDRN C[C@@H](Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000135515586 385170478 /nfs/dbraw/zinc/17/04/78/385170478.db2.gz BPUGNQMAIPYHDC-SECBINFHSA-N 0 0 234.730 3.812 20 30 BHEDRN C[C@@H](CC1CCC1)Nc1cccc(C#N)c1 ZINC000135538514 344744763 /nfs/dbraw/zinc/74/47/63/344744763.db2.gz DGJMDMRUHRZIOL-NSHDSACASA-N 0 0 214.312 3.549 20 30 BHEDRN C[C@H](CC1CCC1)Nc1cccc(C#N)c1 ZINC000135538536 344744887 /nfs/dbraw/zinc/74/48/87/344744887.db2.gz DGJMDMRUHRZIOL-LLVKDONJSA-N 0 0 214.312 3.549 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000135552142 135575837 /nfs/dbraw/zinc/57/58/37/135575837.db2.gz SOUMMMCUNZLFBE-OAHLLOKOSA-N 0 0 242.322 3.709 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000135552158 353558997 /nfs/dbraw/zinc/55/89/97/353558997.db2.gz SOUMMMCUNZLFBE-HNNXBMFYSA-N 0 0 242.322 3.709 20 30 BHEDRN CC(C)c1ccc(NCc2ccc(C#N)o2)cc1 ZINC000135560377 384178069 /nfs/dbraw/zinc/17/80/69/384178069.db2.gz AVOPDKQGLKHDDZ-UHFFFAOYSA-N 0 0 240.306 3.887 20 30 BHEDRN CC(C)c1cccc(NCc2ccc(C#N)o2)c1 ZINC000135560746 384177358 /nfs/dbraw/zinc/17/73/58/384177358.db2.gz BYTMDPQZWFWUSC-UHFFFAOYSA-N 0 0 240.306 3.887 20 30 BHEDRN CCCC1CCC(Nc2cnccc2C#N)CC1 ZINC000135598028 325419050 /nfs/dbraw/zinc/41/90/50/325419050.db2.gz VRHLZVOTDCDOES-UHFFFAOYSA-N 0 0 243.354 3.724 20 30 BHEDRN CC[C@H](Nc1cnccc1C#N)C1CCCCC1 ZINC000135604579 344798622 /nfs/dbraw/zinc/79/86/22/344798622.db2.gz FKJMGVGGVBICTA-AWEZNQCLSA-N 0 0 243.354 3.724 20 30 BHEDRN CC[C@@H](Nc1cnccc1C#N)C1CCCCC1 ZINC000135604605 344798594 /nfs/dbraw/zinc/79/85/94/344798594.db2.gz FKJMGVGGVBICTA-CQSZACIVSA-N 0 0 243.354 3.724 20 30 BHEDRN Cc1ccc(NCc2ccc(C#N)s2)cc1C ZINC000135683249 398336252 /nfs/dbraw/zinc/33/62/52/398336252.db2.gz LQGRCTUFBWNBBQ-UHFFFAOYSA-N 0 0 242.347 3.849 20 30 BHEDRN Cc1cc(C)cc(NCc2ccc(C#N)s2)c1 ZINC000135683611 344849915 /nfs/dbraw/zinc/84/99/15/344849915.db2.gz QOMNUEAULYZDRP-UHFFFAOYSA-N 0 0 242.347 3.849 20 30 BHEDRN CCc1ccc(NCc2ccc(C#N)s2)cc1 ZINC000135683646 384274138 /nfs/dbraw/zinc/27/41/38/384274138.db2.gz XLBRJUGVDUQRCM-UHFFFAOYSA-N 0 0 242.347 3.794 20 30 BHEDRN CCc1cccc(NCc2ccc(C#N)s2)c1 ZINC000135683766 344850137 /nfs/dbraw/zinc/85/01/37/344850137.db2.gz FVTLULNZSAWCQS-UHFFFAOYSA-N 0 0 242.347 3.794 20 30 BHEDRN C=C(Cl)CN[C@@H](C)c1cc2ccccc2o1 ZINC000135835169 592060041 /nfs/dbraw/zinc/06/00/41/592060041.db2.gz HKSLMTVRADNCHN-JTQLQIEISA-N 0 0 235.714 3.836 20 30 BHEDRN C=C(Cl)CN[C@H](C)c1cc2ccccc2o1 ZINC000135835203 592060241 /nfs/dbraw/zinc/06/02/41/592060241.db2.gz HKSLMTVRADNCHN-SNVBAGLBSA-N 0 0 235.714 3.836 20 30 BHEDRN C=CCSc1cccc(Br)c1 ZINC000135926851 325433204 /nfs/dbraw/zinc/43/32/04/325433204.db2.gz PRXBWCVMIKNIIS-UHFFFAOYSA-N 0 0 229.142 3.727 20 30 BHEDRN Cc1cc(Cl)ccc1NCc1ccc(C#N)o1 ZINC000135935308 384444219 /nfs/dbraw/zinc/44/42/19/384444219.db2.gz PMPQMPPIWXJKPL-UHFFFAOYSA-N 0 0 246.697 3.725 20 30 BHEDRN CCCCCCCCCCC(=O)N(C)OC ZINC000136130914 711687142 /nfs/dbraw/zinc/68/71/42/711687142.db2.gz VARNBRSTAGLYRL-UHFFFAOYSA-N 0 0 229.364 3.537 20 30 BHEDRN CC[C@@](C)(C#N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000136169106 345484359 /nfs/dbraw/zinc/48/43/59/345484359.db2.gz LYXCHWFYOMDTHZ-HNNXBMFYSA-N 0 0 244.338 3.688 20 30 BHEDRN CC[C@](C)(C#N)C(=O)Nc1ccc(C(C)C)cc1 ZINC000136169140 134786499 /nfs/dbraw/zinc/78/64/99/134786499.db2.gz LYXCHWFYOMDTHZ-OAHLLOKOSA-N 0 0 244.338 3.688 20 30 BHEDRN CC[C@@](C)(C#N)C(=O)Nc1cccc(C(C)C)c1 ZINC000136184178 345485554 /nfs/dbraw/zinc/48/55/54/345485554.db2.gz LAFLZGNVECHQML-HNNXBMFYSA-N 0 0 244.338 3.688 20 30 BHEDRN CC[C@](C)(C#N)C(=O)Nc1cccc(C(C)C)c1 ZINC000136184202 345485759 /nfs/dbraw/zinc/48/57/59/345485759.db2.gz LAFLZGNVECHQML-OAHLLOKOSA-N 0 0 244.338 3.688 20 30 BHEDRN CCCc1ccc(NC(=O)[C@](C)(C#N)CC)cc1 ZINC000136189166 592100542 /nfs/dbraw/zinc/10/05/42/592100542.db2.gz XWSPHNCQSXGCBQ-HNNXBMFYSA-N 0 0 244.338 3.517 20 30 BHEDRN CCCc1ccc(NC(=O)[C@@](C)(C#N)CC)cc1 ZINC000136189204 592100637 /nfs/dbraw/zinc/10/06/37/592100637.db2.gz XWSPHNCQSXGCBQ-OAHLLOKOSA-N 0 0 244.338 3.517 20 30 BHEDRN C[C@@H](CNc1cccc(Cl)c1C#N)C1CC1 ZINC000136192311 345957764 /nfs/dbraw/zinc/95/77/64/345957764.db2.gz KZWQEDNMBQBKOF-VIFPVBQESA-N 0 0 234.730 3.670 20 30 BHEDRN C[C@H](CNc1cccc(Cl)c1C#N)C1CC1 ZINC000136192350 345957777 /nfs/dbraw/zinc/95/77/77/345957777.db2.gz KZWQEDNMBQBKOF-SECBINFHSA-N 0 0 234.730 3.670 20 30 BHEDRN C=C[C@H](C)[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000136204526 364465385 /nfs/dbraw/zinc/46/53/85/364465385.db2.gz GTDLZRPOCAZNSL-GWCFXTLKSA-N 0 0 223.747 3.955 20 30 BHEDRN C=C[C@H](C)[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000136204567 364464849 /nfs/dbraw/zinc/46/48/49/364464849.db2.gz GTDLZRPOCAZNSL-GXFFZTMASA-N 0 0 223.747 3.955 20 30 BHEDRN C=C[C@@H](C)[NH2+][C@@H](CC)c1ccc(Cl)cc1 ZINC000136204603 364465891 /nfs/dbraw/zinc/46/58/91/364465891.db2.gz GTDLZRPOCAZNSL-MFKMUULPSA-N 0 0 223.747 3.955 20 30 BHEDRN C=C[C@@H](C)[NH2+][C@H](CC)c1ccc(Cl)cc1 ZINC000136204640 364465611 /nfs/dbraw/zinc/46/56/11/364465611.db2.gz GTDLZRPOCAZNSL-ZWNOBZJWSA-N 0 0 223.747 3.955 20 30 BHEDRN CCCc1ccccc1NC(=O)[C@](C)(C#N)CC ZINC000136214736 134787711 /nfs/dbraw/zinc/78/77/11/134787711.db2.gz OGQLMPRHRNQFDS-HNNXBMFYSA-N 0 0 244.338 3.517 20 30 BHEDRN CCCc1ccccc1NC(=O)[C@@](C)(C#N)CC ZINC000136214774 345488863 /nfs/dbraw/zinc/48/88/63/345488863.db2.gz OGQLMPRHRNQFDS-OAHLLOKOSA-N 0 0 244.338 3.517 20 30 BHEDRN C=CCN(Cc1ccccc1)C(=O)OC(C)(C)C ZINC000136422659 592117748 /nfs/dbraw/zinc/11/77/48/592117748.db2.gz LOWHLOUTWLNDDC-UHFFFAOYSA-N 0 0 247.338 3.610 20 30 BHEDRN CCCCCCCCSCC(C)=O ZINC000136972005 582874732 /nfs/dbraw/zinc/87/47/32/582874732.db2.gz QIWDPMKWQCNGQK-UHFFFAOYSA-N 0 0 202.363 3.669 20 30 BHEDRN C=C(C)COc1ccc(F)c(Br)c1 ZINC000137055890 325476845 /nfs/dbraw/zinc/47/68/45/325476845.db2.gz VHRQJLTUTZEJOR-UHFFFAOYSA-N 0 0 245.091 3.543 20 30 BHEDRN C=CCCOc1ccc(F)c(Br)c1 ZINC000137056432 388556060 /nfs/dbraw/zinc/55/60/60/388556060.db2.gz WAZRJBKPMTUPKC-UHFFFAOYSA-N 0 0 245.091 3.543 20 30 BHEDRN CCCCCCCC(=O)OC/C=C/Cl ZINC000137343894 711771281 /nfs/dbraw/zinc/77/12/81/711771281.db2.gz DQDAHPGZXVTTSA-VQHVLOKHSA-N 0 0 218.724 3.643 20 30 BHEDRN CCN(CCC#N)CCc1ccc(C(C)C)cc1 ZINC000137562296 388563656 /nfs/dbraw/zinc/56/36/56/388563656.db2.gz DWXDBAIIGAMTCS-UHFFFAOYSA-N 0 0 244.382 3.588 20 30 BHEDRN CCCCCCCS(=O)(=O)CCCCC ZINC000137712895 592212435 /nfs/dbraw/zinc/21/24/35/592212435.db2.gz ZIXJVUQHQWGQTG-UHFFFAOYSA-N 0 0 234.405 3.562 20 30 BHEDRN C=CCCOC(=O)c1cccc2ccccc21 ZINC000138358776 592267454 /nfs/dbraw/zinc/26/74/54/592267454.db2.gz RYPDMBSAOYUKGE-UHFFFAOYSA-N 0 0 226.275 3.573 20 30 BHEDRN C=CCc1ccccc1OC(=O)c1ccccc1 ZINC000138641491 711657796 /nfs/dbraw/zinc/65/77/96/711657796.db2.gz BJDUBMLJZYOAEW-UHFFFAOYSA-N 0 0 238.286 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323011997 /nfs/dbraw/zinc/01/19/97/323011997.db2.gz ITPWSWHDEPTTLH-KGLIPLIRSA-N 0 0 249.398 3.649 20 30 BHEDRN C=CCC(CC=C)C(=O)N1CC[C@H](C)C[C@H](C)C1 ZINC000157855676 326297837 /nfs/dbraw/zinc/29/78/37/326297837.db2.gz ITPWSWHDEPTTLH-KBPBESRZSA-N 0 0 249.398 3.649 20 30 BHEDRN N#Cc1cc(CSCc2ccco2)ccc1F ZINC000158028809 181086283 /nfs/dbraw/zinc/08/62/83/181086283.db2.gz LRBDWXIZSBVSGR-UHFFFAOYSA-N 0 0 247.294 3.724 20 30 BHEDRN N#Cc1cc(CSc2ccccc2)ccc1F ZINC000158032973 181086430 /nfs/dbraw/zinc/08/64/30/181086430.db2.gz RVRAUBWKLUVFEJ-UHFFFAOYSA-N 0 0 243.306 3.990 20 30 BHEDRN N#Cc1cc(CSC2CCCC2)ccc1F ZINC000158046157 181086278 /nfs/dbraw/zinc/08/62/78/181086278.db2.gz OTVRMWQOCCGCDX-UHFFFAOYSA-N 0 0 235.327 3.873 20 30 BHEDRN C=CCN(CC=C)Cc1cnc(C2CCC2)s1 ZINC000158143019 326309886 /nfs/dbraw/zinc/30/98/86/326309886.db2.gz LNOYCMVCWBLPKQ-UHFFFAOYSA-N 0 0 248.395 3.585 20 30 BHEDRN CC(C)c1ccc(N(C)CCCCC#N)cc1 ZINC000158201656 641627345 /nfs/dbraw/zinc/62/73/45/641627345.db2.gz 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CCCCCCCC(=O)N1CCC2(CCC2)C1 ZINC000158618736 345355949 /nfs/dbraw/zinc/35/59/49/345355949.db2.gz GPBLJYMYMCOXFB-UHFFFAOYSA-N 0 0 237.387 3.750 20 30 BHEDRN CCC(C)(CC)C(=O)Nc1ccc(CC#N)cc1 ZINC000158636819 344703967 /nfs/dbraw/zinc/70/39/67/344703967.db2.gz BBCIRBLHVWJNBO-UHFFFAOYSA-N 0 0 244.338 3.517 20 30 BHEDRN CC(C)(C#N)CCSc1cccc(C#N)c1 ZINC000158715674 326340442 /nfs/dbraw/zinc/34/04/42/326340442.db2.gz TZRYZLQWGXYDQP-UHFFFAOYSA-N 0 0 230.336 3.590 20 30 BHEDRN N#Cc1cccc(SCc2ccc(F)cc2)c1 ZINC000158719901 326340506 /nfs/dbraw/zinc/34/05/06/326340506.db2.gz TYAHUSXAUQMEBY-UHFFFAOYSA-N 0 0 243.306 3.990 20 30 BHEDRN CC(C)CCC(=O)CSc1cccc(C#N)c1 ZINC000158740628 326341237 /nfs/dbraw/zinc/34/12/37/326341237.db2.gz HNSAXWKDQUCWDE-UHFFFAOYSA-N 0 0 247.363 3.656 20 30 BHEDRN Cc1ncc(CSc2cccc(C#N)c2)s1 ZINC000158757642 326342999 /nfs/dbraw/zinc/34/29/99/326342999.db2.gz AFLUFJIICWAXLI-UHFFFAOYSA-N 0 0 246.360 3.616 20 30 BHEDRN CC(C)CCOCCSc1cccc(C#N)c1 ZINC000158800219 326343649 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20 30 BHEDRN C=C(C)CN(C)C(=O)CC/C=C/c1ccccc1 ZINC000180464088 384467565 /nfs/dbraw/zinc/46/75/65/384467565.db2.gz SOWSMEDDCPEUPE-YRNVUSSQSA-N 0 0 243.350 3.515 20 30 BHEDRN C=C(C)CN(C)C(=O)[C@@H](C)CC1CCCCC1 ZINC000180476801 384469115 /nfs/dbraw/zinc/46/91/15/384469115.db2.gz JQSFHPIEWHFYGU-ZDUSSCGKSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)[C@H](C)CC1CCCCC1 ZINC000180476822 384470291 /nfs/dbraw/zinc/47/02/91/384470291.db2.gz JQSFHPIEWHFYGU-CYBMUJFWSA-N 0 0 237.387 3.627 20 30 BHEDRN CCCCCSC[C@H](O)c1ccc(C#N)cc1 ZINC000180618425 385399299 /nfs/dbraw/zinc/39/92/99/385399299.db2.gz LQFOKCWCIJYUBB-AWEZNQCLSA-N 0 0 249.379 3.515 20 30 BHEDRN CCCCCSC[C@@H](O)c1ccc(C#N)cc1 ZINC000180618447 384675896 /nfs/dbraw/zinc/67/58/96/384675896.db2.gz LQFOKCWCIJYUBB-CQSZACIVSA-N 0 0 249.379 3.515 20 30 BHEDRN C=CCC(CC=C)C(=O)N[C@@H]1CC12CCCCC2 ZINC000180629895 491120161 /nfs/dbraw/zinc/12/01/61/491120161.db2.gz JYJBBSALJDQSPO-CQSZACIVSA-N 0 0 247.382 3.594 20 30 BHEDRN C=CCC(CC=C)C(=O)N[C@H]1CC12CCCCC2 ZINC000180629913 353401472 /nfs/dbraw/zinc/40/14/72/353401472.db2.gz JYJBBSALJDQSPO-AWEZNQCLSA-N 0 0 247.382 3.594 20 30 BHEDRN C=CCCNc1ccc(F)cc1NC(C)C ZINC000180657429 642804256 /nfs/dbraw/zinc/80/42/56/642804256.db2.gz ZENPJFBADKZBDA-UHFFFAOYSA-N 0 0 222.307 3.634 20 30 BHEDRN Cc1ccc(N(C)CC(C)(C)CCC#N)cc1 ZINC000180664466 633898359 /nfs/dbraw/zinc/89/83/59/633898359.db2.gz HQJOZNNFPSMJIH-UHFFFAOYSA-N 0 0 230.355 3.761 20 30 BHEDRN C[C@@H]1CN(CC(C)(C)CCC#N)c2ccccc21 ZINC000180675953 134330377 /nfs/dbraw/zinc/33/03/77/134330377.db2.gz FYZIRFSKCNKEIC-CYBMUJFWSA-N 0 0 242.366 3.940 20 30 BHEDRN C[C@H]1CN(CC(C)(C)CCC#N)c2ccccc21 ZINC000180675969 134330441 /nfs/dbraw/zinc/33/04/41/134330441.db2.gz FYZIRFSKCNKEIC-ZDUSSCGKSA-N 0 0 242.366 3.940 20 30 BHEDRN C#CCCCCC(=O)Oc1ccccc1CC=C ZINC000180734111 633047121 /nfs/dbraw/zinc/04/71/21/633047121.db2.gz UBOWMQHSOWBRAP-UHFFFAOYSA-N 0 0 242.318 3.514 20 30 BHEDRN CCCCCSCCCSCC#N ZINC000180735423 206009521 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224.373 3.599 20 30 BHEDRN C=CCCCN(C)C(=O)C1(C)CCCCCC1 ZINC000180825128 259310984 /nfs/dbraw/zinc/31/09/84/259310984.db2.gz OUBATXYXTNQHHP-UHFFFAOYSA-N 0 0 237.387 3.772 20 30 BHEDRN CCC(CC)CNc1ccccc1O[C@@H](C)C#N ZINC000180838941 642819433 /nfs/dbraw/zinc/81/94/33/642819433.db2.gz CZRKPNOGFRRNAU-LBPRGKRZSA-N 0 0 246.354 3.826 20 30 BHEDRN CCC(CC)CNc1ccccc1O[C@H](C)C#N ZINC000180838956 642818942 /nfs/dbraw/zinc/81/89/42/642818942.db2.gz CZRKPNOGFRRNAU-GFCCVEGCSA-N 0 0 246.354 3.826 20 30 BHEDRN C=CCNc1cc(F)c(OC(C)(C)C)c(F)c1 ZINC000180929368 642827114 /nfs/dbraw/zinc/82/71/14/642827114.db2.gz KAIOZJWKZJQWGM-UHFFFAOYSA-N 0 0 241.281 3.740 20 30 BHEDRN O=C(/C=C/c1cccc2cnccc12)c1ccco1 ZINC000180933071 633904672 /nfs/dbraw/zinc/90/46/72/633904672.db2.gz STZSUHKGKAPVRY-VOTSOKGWSA-N 0 0 249.269 3.724 20 30 BHEDRN N#CCN[C@@H](c1cccc(Cl)c1)C1CCCC1 ZINC000181034306 136218181 /nfs/dbraw/zinc/21/81/81/136218181.db2.gz OSQFUISTPBEBIV-CQSZACIVSA-N 0 0 248.757 3.684 20 30 BHEDRN N#CCN[C@H](c1cccc(Cl)c1)C1CCCC1 ZINC000181034328 136218322 /nfs/dbraw/zinc/21/83/22/136218322.db2.gz OSQFUISTPBEBIV-AWEZNQCLSA-N 0 0 248.757 3.684 20 30 BHEDRN C[C@H](Oc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000181117307 134333713 /nfs/dbraw/zinc/33/37/13/134333713.db2.gz UFAAWOIWABFDLL-LBPRGKRZSA-N 0 0 248.285 3.570 20 30 BHEDRN C[C@@H](Oc1ccc(C#N)cc1)c1ccc(C#N)cc1 ZINC000181117325 134333809 /nfs/dbraw/zinc/33/38/09/134333809.db2.gz UFAAWOIWABFDLL-GFCCVEGCSA-N 0 0 248.285 3.570 20 30 BHEDRN CCC[C@@H](C)CNc1ccccc1O[C@@H](C)C#N ZINC000181122029 642840106 /nfs/dbraw/zinc/84/01/06/642840106.db2.gz VSHHYXYPMRJFKQ-OLZOCXBDSA-N 0 0 246.354 3.826 20 30 BHEDRN CCC[C@H](C)CNc1ccccc1O[C@@H](C)C#N ZINC000181122049 642840228 /nfs/dbraw/zinc/84/02/28/642840228.db2.gz VSHHYXYPMRJFKQ-STQMWFEESA-N 0 0 246.354 3.826 20 30 BHEDRN CCC[C@@H](C)CNc1ccccc1O[C@H](C)C#N ZINC000181122063 642839701 /nfs/dbraw/zinc/83/97/01/642839701.db2.gz VSHHYXYPMRJFKQ-CHWSQXEVSA-N 0 0 246.354 3.826 20 30 BHEDRN CCC[C@H](C)CNc1ccccc1O[C@H](C)C#N ZINC000181122082 633909148 /nfs/dbraw/zinc/90/91/48/633909148.db2.gz VSHHYXYPMRJFKQ-QWHCGFSZSA-N 0 0 246.354 3.826 20 30 BHEDRN Cc1cccc(NCC(C)(C)CCC#N)c1F ZINC000181127467 347049535 /nfs/dbraw/zinc/04/95/35/347049535.db2.gz XQKNJEPNGGOJDA-UHFFFAOYSA-N 0 0 234.318 3.876 20 30 BHEDRN Cc1cccc(NCc2cc(C#N)cs2)c1F ZINC000181128078 384929303 /nfs/dbraw/zinc/92/93/03/384929303.db2.gz XEVBEHUBFMTZIQ-UHFFFAOYSA-N 0 0 246.310 3.679 20 30 BHEDRN Cc1cccc(NCc2ccccc2C#N)c1F ZINC000181128918 205662547 /nfs/dbraw/zinc/66/25/47/205662547.db2.gz ONJCJSMHVKQNNX-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN Cc1cccc(NCc2ccc(C#N)cc2)c1F ZINC000181129646 385399751 /nfs/dbraw/zinc/39/97/51/385399751.db2.gz ZYKDZUDKYNDSDW-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN Cc1cccc(NCc2cccc(C#N)c2)c1F ZINC000181132624 385398352 /nfs/dbraw/zinc/39/83/52/385398352.db2.gz CMZUAFSUUZGZGJ-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN Cc1cccc(NCc2ccc(C#N)s2)c1F ZINC000181133090 205691801 /nfs/dbraw/zinc/69/18/01/205691801.db2.gz JZZDKGFAIKPPME-UHFFFAOYSA-N 0 0 246.310 3.679 20 30 BHEDRN CCCCCCCC(=O)N[C@@H](CC)CSC ZINC000181163887 642845432 /nfs/dbraw/zinc/84/54/32/642845432.db2.gz SPZSFYJITFXOMQ-LBPRGKRZSA-N 0 0 245.432 3.605 20 30 BHEDRN CCCCCCCC(=O)N[C@H](CC)CSC ZINC000181163906 642846061 /nfs/dbraw/zinc/84/60/61/642846061.db2.gz SPZSFYJITFXOMQ-GFCCVEGCSA-N 0 0 245.432 3.605 20 30 BHEDRN C=C[C@H](CC)OC(=O)CCCc1cccs1 ZINC000181215325 636041833 /nfs/dbraw/zinc/04/18/33/636041833.db2.gz LLRAJYMPMFWFAH-LLVKDONJSA-N 0 0 238.352 3.579 20 30 BHEDRN C=C[C@@H](CC)OC(=O)CCCc1cccs1 ZINC000181215337 642850894 /nfs/dbraw/zinc/85/08/94/642850894.db2.gz LLRAJYMPMFWFAH-NSHDSACASA-N 0 0 238.352 3.579 20 30 BHEDRN C=C[C@H](CC)OC(=O)C(C)(C)c1cccs1 ZINC000181230660 642851699 /nfs/dbraw/zinc/85/16/99/642851699.db2.gz WMWKYTRGVWWYJQ-SNVBAGLBSA-N 0 0 238.352 3.534 20 30 BHEDRN C=C[C@@H](CC)OC(=O)C(C)(C)c1cccs1 ZINC000181230680 633912948 /nfs/dbraw/zinc/91/29/48/633912948.db2.gz WMWKYTRGVWWYJQ-JTQLQIEISA-N 0 0 238.352 3.534 20 30 BHEDRN Cc1occc1SCc1ccc(C#N)cc1F ZINC000181277117 385405976 /nfs/dbraw/zinc/40/59/76/385405976.db2.gz DYMGEZWIRRUBMS-UHFFFAOYSA-N 0 0 247.294 3.891 20 30 BHEDRN Cc1occc1SCc1ccc(F)cc1C#N ZINC000181282118 134334949 /nfs/dbraw/zinc/33/49/49/134334949.db2.gz OBNVINGXAOJHPH-UHFFFAOYSA-N 0 0 247.294 3.891 20 30 BHEDRN Cc1occc1SCc1cccc(C#N)c1 ZINC000181285895 384992531 /nfs/dbraw/zinc/99/25/31/384992531.db2.gz RKKYAWZJCYXKAH-UHFFFAOYSA-N 0 0 229.304 3.752 20 30 BHEDRN Cc1occc1SCc1ccc(C#N)cc1 ZINC000181286850 384992079 /nfs/dbraw/zinc/99/20/79/384992079.db2.gz JHAFHWLKFLGPNM-UHFFFAOYSA-N 0 0 229.304 3.752 20 30 BHEDRN Cc1occc1SCc1ccccc1C#N ZINC000181288413 385406091 /nfs/dbraw/zinc/40/60/91/385406091.db2.gz QIMVMXORONDOBM-UHFFFAOYSA-N 0 0 229.304 3.752 20 30 BHEDRN Cc1occc1SCc1cc(C#N)ccc1F ZINC000181296519 205664209 /nfs/dbraw/zinc/66/42/09/205664209.db2.gz MMLFRNBODDQCEP-UHFFFAOYSA-N 0 0 247.294 3.891 20 30 BHEDRN C=C(Br)CSc1ccoc1C ZINC000181296885 636042893 /nfs/dbraw/zinc/04/28/93/636042893.db2.gz GBCIYTBKFVSNET-UHFFFAOYSA-N 0 0 233.130 3.589 20 30 BHEDRN Cc1c(C#N)c(C(C)C)nc2cc(F)ccc12 ZINC000181310728 366802498 /nfs/dbraw/zinc/80/24/98/366802498.db2.gz IBXJPJHIXMTOLP-UHFFFAOYSA-N 0 0 228.270 3.677 20 30 BHEDRN Cc1c2ccc(F)cc2nc(CC#N)c1C(C)C ZINC000181316815 366802411 /nfs/dbraw/zinc/80/24/11/366802411.db2.gz WCWIYXWWDSJONJ-UHFFFAOYSA-N 0 0 242.297 3.872 20 30 BHEDRN C=C(C)CN(C)[C@@H](C)c1ncc(C(C)(C)C)o1 ZINC000181323638 384486163 /nfs/dbraw/zinc/48/61/63/384486163.db2.gz VSKDVOXLTGLRHA-NSHDSACASA-N 0 0 236.359 3.541 20 30 BHEDRN C=C(C)CN(C)[C@H](C)c1ncc(C(C)(C)C)o1 ZINC000181323657 384484299 /nfs/dbraw/zinc/48/42/99/384484299.db2.gz VSKDVOXLTGLRHA-LLVKDONJSA-N 0 0 236.359 3.541 20 30 BHEDRN C=C(C)CN(C)C(=O)N[C@H](CCC)CCCC ZINC000181355552 384488804 /nfs/dbraw/zinc/48/88/04/384488804.db2.gz YBNCDWHTVKAXJK-CYBMUJFWSA-N 0 0 240.391 3.563 20 30 BHEDRN C=C(C)CN(C)C(=O)N[C@@H](CCC)CCCC ZINC000181355571 384489279 /nfs/dbraw/zinc/48/92/79/384489279.db2.gz YBNCDWHTVKAXJK-ZDUSSCGKSA-N 0 0 240.391 3.563 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)N(CC)CCCC ZINC000181404834 366808339 /nfs/dbraw/zinc/80/83/39/366808339.db2.gz YGYSZGXBHMWTRH-ZDUSSCGKSA-N 0 0 240.391 3.563 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)N(CC)CCCC ZINC000181404851 366808767 /nfs/dbraw/zinc/80/87/67/366808767.db2.gz YGYSZGXBHMWTRH-CYBMUJFWSA-N 0 0 240.391 3.563 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)N(CCC)CCC ZINC000181424194 366810114 /nfs/dbraw/zinc/81/01/14/366810114.db2.gz CEASOZCLWUCFGC-ZDUSSCGKSA-N 0 0 240.391 3.563 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)N(CCC)CCC ZINC000181424213 366810465 /nfs/dbraw/zinc/81/04/65/366810465.db2.gz CEASOZCLWUCFGC-CYBMUJFWSA-N 0 0 240.391 3.563 20 30 BHEDRN Cc1ccsc1CNc1cccc(C#N)c1C ZINC000181454736 397800817 /nfs/dbraw/zinc/80/08/17/397800817.db2.gz SZAGRTQHZZNKKO-UHFFFAOYSA-N 0 0 242.347 3.849 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@H](C)[C@H](C)CC ZINC000181476419 384510121 /nfs/dbraw/zinc/51/01/21/384510121.db2.gz GOWQQRCIUPQZKC-FRRDWIJNSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@H](C)[C@@H](C)CC ZINC000181476437 384509609 /nfs/dbraw/zinc/50/96/09/384509609.db2.gz GOWQQRCIUPQZKC-RWMBFGLXSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@@H](C)[C@H](C)CC ZINC000181476452 384509474 /nfs/dbraw/zinc/50/94/74/384509474.db2.gz GOWQQRCIUPQZKC-AGIUHOORSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@@H](C)[C@@H](C)CC ZINC000181476470 384509496 /nfs/dbraw/zinc/50/94/96/384509496.db2.gz GOWQQRCIUPQZKC-AVGNSLFASA-N 0 0 225.376 3.530 20 30 BHEDRN C=C(C)CN(C)C(=O)Nc1c(C)cc(C)cc1C ZINC000181493851 366815298 /nfs/dbraw/zinc/81/52/98/366815298.db2.gz QUTNHEIIWURLQH-UHFFFAOYSA-N 0 0 246.354 3.652 20 30 BHEDRN C=C(C)CN(C)C(=O)Nc1c(C)cccc1CC ZINC000181494662 134336994 /nfs/dbraw/zinc/33/69/94/134336994.db2.gz BPRAFOUHFIPJPK-UHFFFAOYSA-N 0 0 246.354 3.597 20 30 BHEDRN C=C(C)CN(C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000181496954 384511597 /nfs/dbraw/zinc/51/15/97/384511597.db2.gz HTBWBYPTPSNIQU-UHFFFAOYSA-N 0 0 246.354 3.850 20 30 BHEDRN CN(CCCCC#N)c1ccc(F)c(Cl)c1 ZINC000181509869 347062622 /nfs/dbraw/zinc/06/26/22/347062622.db2.gz RVHCDHYVOUGZIH-UHFFFAOYSA-N 0 0 240.709 3.609 20 30 BHEDRN C=C(C)CN(C)C(=O)Nc1cccc(C(C)C)c1 ZINC000181521445 384513391 /nfs/dbraw/zinc/51/33/91/384513391.db2.gz WMHJKXIUNVZGOJ-UHFFFAOYSA-N 0 0 246.354 3.850 20 30 BHEDRN C=C(C)CN(C)C(=O)Nc1ccc(CCC)cc1 ZINC000181521838 642880257 /nfs/dbraw/zinc/88/02/57/642880257.db2.gz YCWCZHJZCSXZQA-UHFFFAOYSA-N 0 0 246.354 3.679 20 30 BHEDRN C=C(C)CN(C)C(=O)Nc1ccccc1CCC ZINC000181547551 384528660 /nfs/dbraw/zinc/52/86/60/384528660.db2.gz RIDHECAGQRFAKM-UHFFFAOYSA-N 0 0 246.354 3.679 20 30 BHEDRN C[C@@H](C#N)N1Cc2ccccc2-c2ccccc2C1 ZINC000181683627 134338892 /nfs/dbraw/zinc/33/88/92/134338892.db2.gz HZHLWTDXKOPUFH-ZDUSSCGKSA-N 0 0 248.329 3.581 20 30 BHEDRN C[C@H](C#N)N1Cc2ccccc2-c2ccccc2C1 ZINC000181683648 134338605 /nfs/dbraw/zinc/33/86/05/134338605.db2.gz HZHLWTDXKOPUFH-CYBMUJFWSA-N 0 0 248.329 3.581 20 30 BHEDRN C=CCC(CC=C)C(=O)Nc1cccc(C)c1F ZINC000181788718 353446178 /nfs/dbraw/zinc/44/61/78/353446178.db2.gz NSMDSNJTJSLLHB-UHFFFAOYSA-N 0 0 247.313 3.841 20 30 BHEDRN CCCCCCCCC(=O)OC(C)(C)C#N ZINC000181815868 642903659 /nfs/dbraw/zinc/90/36/59/642903659.db2.gz OFZMEIVOUVHXDG-UHFFFAOYSA-N 0 0 225.332 3.582 20 30 BHEDRN N#CCN[C@H](CC1CCCCC1)c1ccccc1 ZINC000181825079 347074208 /nfs/dbraw/zinc/07/42/08/347074208.db2.gz DORLINICAWGSBJ-MRXNPFEDSA-N 0 0 242.366 3.811 20 30 BHEDRN N#CCN[C@@H](CC1CCCCC1)c1ccccc1 ZINC000181825097 366850668 /nfs/dbraw/zinc/85/06/68/366850668.db2.gz DORLINICAWGSBJ-INIZCTEOSA-N 0 0 242.366 3.811 20 30 BHEDRN N#CCN1CCCCC[C@H]1/C=C/c1cccs1 ZINC000181951466 134340499 /nfs/dbraw/zinc/34/04/99/134340499.db2.gz WOZBXYJNMIFPDS-GWJCSSMESA-N 0 0 246.379 3.529 20 30 BHEDRN N#CCN1CCCCC[C@@H]1/C=C/c1cccs1 ZINC000181951485 134340740 /nfs/dbraw/zinc/34/07/40/134340740.db2.gz WOZBXYJNMIFPDS-SBDDDAINSA-N 0 0 246.379 3.529 20 30 BHEDRN C=C(C)CN(C)C(=O)Nc1ccc(C)c(CC)c1 ZINC000181965485 256606547 /nfs/dbraw/zinc/60/65/47/256606547.db2.gz JYJIEGOVLGRDTG-UHFFFAOYSA-N 0 0 246.354 3.597 20 30 BHEDRN C=CC[C@H](C)NC(=O)Nc1ccc(C)c(CC)c1 ZINC000182016730 256606698 /nfs/dbraw/zinc/60/66/98/256606698.db2.gz NKUMQAYQMYDZRW-LBPRGKRZSA-N 0 0 246.354 3.644 20 30 BHEDRN C=CC[C@@H](C)NC(=O)Nc1ccc(C)c(CC)c1 ZINC000182016751 385453940 /nfs/dbraw/zinc/45/39/40/385453940.db2.gz NKUMQAYQMYDZRW-GFCCVEGCSA-N 0 0 246.354 3.644 20 30 BHEDRN CCN(Cc1ccc(C#N)s1)c1ccccc1 ZINC000182111971 256607547 /nfs/dbraw/zinc/60/75/47/256607547.db2.gz PGRGSCYTFFYXND-UHFFFAOYSA-N 0 0 242.347 3.646 20 30 BHEDRN Cc1cccc(N(C)Cc2ccc(C#N)s2)c1 ZINC000182119460 386360707 /nfs/dbraw/zinc/36/07/07/386360707.db2.gz ABCWZBQJEHRIGL-UHFFFAOYSA-N 0 0 242.347 3.565 20 30 BHEDRN O=C(/C=C/c1cc2ccccc2o1)c1ccncc1 ZINC000182242182 642976146 /nfs/dbraw/zinc/97/61/46/642976146.db2.gz XARQXYMCCKIDGV-AATRIKPKSA-N 0 0 249.269 3.724 20 30 BHEDRN Cc1cccc(C)c1/C=C/C(=O)c1ccncc1 ZINC000182242645 642976483 /nfs/dbraw/zinc/97/64/83/642976483.db2.gz GZSIQHVKZAEPOQ-VOTSOKGWSA-N 0 0 237.302 3.595 20 30 BHEDRN CC(/C=C/C(=O)c1ccncc1)=C/c1ccccc1 ZINC000182242911 642976804 /nfs/dbraw/zinc/97/68/04/642976804.db2.gz RPOLVDPRGJHCDF-YFGOPRLYSA-N 0 0 249.313 3.924 20 30 BHEDRN O=C(/C=C/c1coc2ccccc12)c1ccncc1 ZINC000182245461 642981841 /nfs/dbraw/zinc/98/18/41/642981841.db2.gz RBNGQORHOGOVFV-AATRIKPKSA-N 0 0 249.269 3.724 20 30 BHEDRN Cc1cccc(/C=C/C(=O)c2ccncc2)c1C ZINC000182246454 642981609 /nfs/dbraw/zinc/98/16/09/642981609.db2.gz MDYKTOZFMIELLP-VOTSOKGWSA-N 0 0 237.302 3.595 20 30 BHEDRN Cc1cc(C)cc(/C=C/C(=O)c2ccncc2)c1 ZINC000182247481 642982609 /nfs/dbraw/zinc/98/26/09/642982609.db2.gz VEWXWEFMYXCESA-ONEGZZNKSA-N 0 0 237.302 3.595 20 30 BHEDRN Cc1ccc(C(=O)/C=C/c2cc(F)ccc2C)o1 ZINC000182281359 642989897 /nfs/dbraw/zinc/98/98/97/642989897.db2.gz FXKMMIIGXPULEM-FNORWQNLSA-N 0 0 244.265 3.932 20 30 BHEDRN Cc1ccc(F)cc1/C=C/C(=O)c1ccco1 ZINC000182294821 633941780 /nfs/dbraw/zinc/94/17/80/633941780.db2.gz BTPBZEOZMVZBSD-FNORWQNLSA-N 0 0 230.238 3.623 20 30 BHEDRN Cc1ccoc1C(=O)/C=C/c1cc(F)ccc1C ZINC000182295412 642997915 /nfs/dbraw/zinc/99/79/15/642997915.db2.gz XCGFRVUEVUGNNA-GQCTYLIASA-N 0 0 244.265 3.932 20 30 BHEDRN CC(C)CCC[S@@](=O)CCCC(C)(C)C#N ZINC000182295999 366882150 /nfs/dbraw/zinc/88/21/50/366882150.db2.gz DGRGFFRODHPCST-MRXNPFEDSA-N 0 0 243.416 3.501 20 30 BHEDRN CC(C)CCC[S@](=O)CCCC(C)(C)C#N ZINC000182296018 366882606 /nfs/dbraw/zinc/88/26/06/366882606.db2.gz DGRGFFRODHPCST-INIZCTEOSA-N 0 0 243.416 3.501 20 30 BHEDRN CC#CCNc1ccc(CCC(F)(F)F)cc1 ZINC000182309232 366883039 /nfs/dbraw/zinc/88/30/39/366883039.db2.gz ALCMTVMCARQMDD-UHFFFAOYSA-N 0 0 241.256 3.617 20 30 BHEDRN CC#CCNc1ccccc1CCC(F)(F)F ZINC000182309280 366884175 /nfs/dbraw/zinc/88/41/75/366884175.db2.gz MMJDNQGCCJMIMZ-UHFFFAOYSA-N 0 0 241.256 3.617 20 30 BHEDRN Cc1cccc(NCCCC(C)(C)C#N)c1F ZINC000182327794 347092132 /nfs/dbraw/zinc/09/21/32/347092132.db2.gz AACOZSWMOTWKRS-UHFFFAOYSA-N 0 0 234.318 3.876 20 30 BHEDRN N#CCN[C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000182535926 136219208 /nfs/dbraw/zinc/21/92/08/136219208.db2.gz HUPAPTVBODQTOM-CQSZACIVSA-N 0 0 248.757 3.684 20 30 BHEDRN N#CCN[C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC000182535945 136219144 /nfs/dbraw/zinc/21/91/44/136219144.db2.gz HUPAPTVBODQTOM-AWEZNQCLSA-N 0 0 248.757 3.684 20 30 BHEDRN CCCCCNc1ccccc1O[C@@H](C)C#N ZINC000182579433 535078207 /nfs/dbraw/zinc/07/82/07/535078207.db2.gz CWPHYCURYFLDMU-LBPRGKRZSA-N 0 0 232.327 3.580 20 30 BHEDRN CCCCCNc1ccccc1O[C@H](C)C#N ZINC000182579454 535077328 /nfs/dbraw/zinc/07/73/28/535077328.db2.gz CWPHYCURYFLDMU-GFCCVEGCSA-N 0 0 232.327 3.580 20 30 BHEDRN C[C@@H](C#N)Oc1ccccc1NCC1CCCC1 ZINC000182581213 136219196 /nfs/dbraw/zinc/21/91/96/136219196.db2.gz HXPADKHYOSKSOL-LBPRGKRZSA-N 0 0 244.338 3.580 20 30 BHEDRN C[C@H](C#N)Oc1ccccc1NCC1CCCC1 ZINC000182581236 136219192 /nfs/dbraw/zinc/21/91/92/136219192.db2.gz HXPADKHYOSKSOL-GFCCVEGCSA-N 0 0 244.338 3.580 20 30 BHEDRN CCCCCCNc1ccccc1O[C@@H](C)C#N ZINC000182584289 643040145 /nfs/dbraw/zinc/04/01/45/643040145.db2.gz HCDJCMRXAUQVCX-ZDUSSCGKSA-N 0 0 246.354 3.970 20 30 BHEDRN CCCCCCNc1ccccc1O[C@H](C)C#N ZINC000182584307 633950325 /nfs/dbraw/zinc/95/03/25/633950325.db2.gz HCDJCMRXAUQVCX-CYBMUJFWSA-N 0 0 246.354 3.970 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1cc(C)ccc1C ZINC000182588080 366919822 /nfs/dbraw/zinc/91/98/22/366919822.db2.gz RUFMPAQQPZZIER-AWEZNQCLSA-N 0 0 245.366 3.778 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1cc(C)ccc1C ZINC000182588101 366918922 /nfs/dbraw/zinc/91/89/22/366918922.db2.gz RUFMPAQQPZZIER-CQSZACIVSA-N 0 0 245.366 3.778 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C/c1cccs1 ZINC000182588247 643040229 /nfs/dbraw/zinc/04/02/29/643040229.db2.gz BXCBJKIZFUNGKU-VMPCVLLUSA-N 0 0 249.379 3.622 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C=C/c1cccs1 ZINC000182588268 643039854 /nfs/dbraw/zinc/03/98/54/643039854.db2.gz BXCBJKIZFUNGKU-BZYZDCJZSA-N 0 0 249.379 3.622 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000182592627 345936054 /nfs/dbraw/zinc/93/60/54/345936054.db2.gz GDJDLDNLFIOQRM-RDBSUJKOSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000182592644 345936013 /nfs/dbraw/zinc/93/60/13/345936013.db2.gz GDJDLDNLFIOQRM-IHRRRGAJSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000182592660 345936100 /nfs/dbraw/zinc/93/61/00/345936100.db2.gz GDJDLDNLFIOQRM-HZSPNIEDSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000182592677 345936077 /nfs/dbraw/zinc/93/60/77/345936077.db2.gz GDJDLDNLFIOQRM-MELADBBJSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1ccc(C)cc1C ZINC000182597584 345104587 /nfs/dbraw/zinc/10/45/87/345104587.db2.gz VLJNBSYGIAMDBS-AWEZNQCLSA-N 0 0 245.366 3.778 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1ccc(C)cc1C ZINC000182597598 366921020 /nfs/dbraw/zinc/92/10/20/366921020.db2.gz VLJNBSYGIAMDBS-CQSZACIVSA-N 0 0 245.366 3.778 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C1(CC)CCCC1 ZINC000182600647 366920518 /nfs/dbraw/zinc/92/05/18/366920518.db2.gz YZSSLHJQELAKJQ-ZDUSSCGKSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C1(CC)CCCC1 ZINC000182600663 366920904 /nfs/dbraw/zinc/92/09/04/366920904.db2.gz YZSSLHJQELAKJQ-CYBMUJFWSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1cc(C)c(CC)o1 ZINC000182600730 366920329 /nfs/dbraw/zinc/92/03/29/366920329.db2.gz OEQLMOSRTMKQPC-LBPRGKRZSA-N 0 0 249.354 3.625 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1cc(C)c(CC)o1 ZINC000182600748 366920576 /nfs/dbraw/zinc/92/05/76/366920576.db2.gz OEQLMOSRTMKQPC-GFCCVEGCSA-N 0 0 249.354 3.625 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C[C@H](C)CCC ZINC000182602501 366921148 /nfs/dbraw/zinc/92/11/48/366921148.db2.gz MZXZTKMSYHIXRM-OLZOCXBDSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C[C@@H](C)CCC ZINC000182602519 366921201 /nfs/dbraw/zinc/92/12/01/366921201.db2.gz MZXZTKMSYHIXRM-STQMWFEESA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C[C@H](C)CCC ZINC000182602539 366920700 /nfs/dbraw/zinc/92/07/00/366920700.db2.gz MZXZTKMSYHIXRM-CHWSQXEVSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C[C@@H](C)CCC ZINC000182602557 366921182 /nfs/dbraw/zinc/92/11/82/366921182.db2.gz MZXZTKMSYHIXRM-QWHCGFSZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1sccc1C ZINC000182607322 366922079 /nfs/dbraw/zinc/92/20/79/366922079.db2.gz BZMLGYRNQIKPGF-NSHDSACASA-N 0 0 237.368 3.531 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1sccc1C ZINC000182607344 366922006 /nfs/dbraw/zinc/92/20/06/366922006.db2.gz BZMLGYRNQIKPGF-LLVKDONJSA-N 0 0 237.368 3.531 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1cccn1C(C)C ZINC000182608806 366922099 /nfs/dbraw/zinc/92/20/99/366922099.db2.gz ATPCXRALPLLUFP-ZDUSSCGKSA-N 0 0 248.370 3.544 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1cccn1C(C)C ZINC000182608827 366921979 /nfs/dbraw/zinc/92/19/79/366921979.db2.gz ATPCXRALPLLUFP-CYBMUJFWSA-N 0 0 248.370 3.544 20 30 BHEDRN C=CCNc1ccc(Cl)c(OC(F)F)c1 ZINC000182609168 385460946 /nfs/dbraw/zinc/46/09/46/385460946.db2.gz LSFYMQNRUSHQBV-UHFFFAOYSA-N 0 0 233.645 3.539 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1ccc(F)cc1C ZINC000182619175 366923092 /nfs/dbraw/zinc/92/30/92/366923092.db2.gz USPIJYFPHZPKPN-LBPRGKRZSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1ccc(F)cc1C ZINC000182619196 366923103 /nfs/dbraw/zinc/92/31/03/366923103.db2.gz USPIJYFPHZPKPN-GFCCVEGCSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1ccc(C)s1 ZINC000182628391 366924828 /nfs/dbraw/zinc/92/48/28/366924828.db2.gz MCHIDQMTISNYNS-JTQLQIEISA-N 0 0 237.368 3.531 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1ccc(C)s1 ZINC000182628411 366924750 /nfs/dbraw/zinc/92/47/50/366924750.db2.gz MCHIDQMTISNYNS-SNVBAGLBSA-N 0 0 237.368 3.531 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1oc(CC)cc1C ZINC000182628794 366924826 /nfs/dbraw/zinc/92/48/26/366924826.db2.gz SMWQFAZAPREVCG-LBPRGKRZSA-N 0 0 249.354 3.625 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1oc(CC)cc1C ZINC000182628812 366924631 /nfs/dbraw/zinc/92/46/31/366924631.db2.gz SMWQFAZAPREVCG-GFCCVEGCSA-N 0 0 249.354 3.625 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C=C(CC)CC ZINC000182640291 636046088 /nfs/dbraw/zinc/04/60/88/636046088.db2.gz YNSQOIDUXVABOG-LBPRGKRZSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C=C(CC)CC ZINC000182640304 636046620 /nfs/dbraw/zinc/04/66/20/636046620.db2.gz YNSQOIDUXVABOG-GFCCVEGCSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)CC(CC)CC ZINC000182649708 366927564 /nfs/dbraw/zinc/92/75/64/366927564.db2.gz PSSJYECNUAVUNW-LBPRGKRZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)CC(CC)CC ZINC000182649725 366927355 /nfs/dbraw/zinc/92/73/55/366927355.db2.gz PSSJYECNUAVUNW-GFCCVEGCSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1cscc1C ZINC000182650936 366927317 /nfs/dbraw/zinc/92/73/17/366927317.db2.gz CUBFNDAUKSZUTH-NSHDSACASA-N 0 0 237.368 3.531 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1cscc1C ZINC000182650955 366927556 /nfs/dbraw/zinc/92/75/56/366927556.db2.gz CUBFNDAUKSZUTH-LLVKDONJSA-N 0 0 237.368 3.531 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C1CCCCCC1 ZINC000182652187 345935295 /nfs/dbraw/zinc/93/52/95/345935295.db2.gz SSOBIAHLNCFOHB-ZDUSSCGKSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C1CCCCCC1 ZINC000182652206 345935373 /nfs/dbraw/zinc/93/53/73/345935373.db2.gz SSOBIAHLNCFOHB-CYBMUJFWSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1cc(C)ccc1F ZINC000182652336 366927816 /nfs/dbraw/zinc/92/78/16/366927816.db2.gz SNHFZIFEVSHYSW-LBPRGKRZSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1cc(C)ccc1F ZINC000182652355 346805582 /nfs/dbraw/zinc/80/55/82/346805582.db2.gz SNHFZIFEVSHYSW-GFCCVEGCSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1cc(F)ccc1C ZINC000182656532 366927729 /nfs/dbraw/zinc/92/77/29/366927729.db2.gz KDARLTBDSDOPPD-LBPRGKRZSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1cc(F)ccc1C ZINC000182656546 366927712 /nfs/dbraw/zinc/92/77/12/366927712.db2.gz KDARLTBDSDOPPD-GFCCVEGCSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1cccc(C)c1C ZINC000182659345 366928799 /nfs/dbraw/zinc/92/87/99/366928799.db2.gz SWCLOWSJIUYFQN-ZDUSSCGKSA-N 0 0 245.366 3.778 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1cccc(C)c1C ZINC000182659366 366929304 /nfs/dbraw/zinc/92/93/04/366929304.db2.gz SWCLOWSJIUYFQN-CYBMUJFWSA-N 0 0 245.366 3.778 20 30 BHEDRN O=C(/C=C/c1ccccc1)c1cccc(F)c1F ZINC000182724292 643059473 /nfs/dbraw/zinc/05/94/73/643059473.db2.gz QLNKRTNKCNVFLY-MDZDMXLPSA-N 0 0 244.240 3.861 20 30 BHEDRN Cc1cccc(F)c1NCc1ccccc1C#N ZINC000182744182 219867655 /nfs/dbraw/zinc/86/76/55/219867655.db2.gz GYFLVJVVNPXFDC-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN C=CCCCC(=O)Nc1nccc2sccc21 ZINC000182826011 366946276 /nfs/dbraw/zinc/94/62/76/366946276.db2.gz PLDWUFVIGDDVNI-UHFFFAOYSA-N 0 0 246.335 3.591 20 30 BHEDRN N#CCCCCSCc1c(F)cccc1F ZINC000182861239 323082437 /nfs/dbraw/zinc/08/24/37/323082437.db2.gz YRSJEGYFGJUJHM-UHFFFAOYSA-N 0 0 241.306 3.892 20 30 BHEDRN N#CCCCCSC1=Nc2ccccc2C1 ZINC000182881907 191127893 /nfs/dbraw/zinc/12/78/93/191127893.db2.gz MIHALHURFVRRGF-UHFFFAOYSA-N 0 0 230.336 3.700 20 30 BHEDRN C=C(C)CN(CC)Cc1ncc(C(C)C)s1 ZINC000182944671 366960247 /nfs/dbraw/zinc/96/02/47/366960247.db2.gz TVNRRXYDNDFYFQ-UHFFFAOYSA-N 0 0 238.400 3.665 20 30 BHEDRN Cc1cccc(OCCCC(C)(C)C#N)c1F ZINC000182961138 347113753 /nfs/dbraw/zinc/11/37/53/347113753.db2.gz VXMWKTPXYYXBOH-UHFFFAOYSA-N 0 0 235.302 3.843 20 30 BHEDRN Cc1cccc(OCc2ccccc2C#N)c1F ZINC000182963010 385976939 /nfs/dbraw/zinc/97/69/39/385976939.db2.gz OVUUDWOYEGLWPS-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1cccc(OCc2ccc(C#N)cc2)c1F ZINC000182964431 346828654 /nfs/dbraw/zinc/82/86/54/346828654.db2.gz JOFMZRJUGBCSBW-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1cccc(OCc2cccc(C#N)c2)c1F ZINC000182965842 346828079 /nfs/dbraw/zinc/82/80/79/346828079.db2.gz GWVFDKDJJAIEMR-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN C=CCC(CC=C)C(=O)N1CCCC[C@H]1CCC ZINC000183060273 345937407 /nfs/dbraw/zinc/93/74/07/345937407.db2.gz NVIRWWAOKVNSRD-OAHLLOKOSA-N 0 0 249.398 3.936 20 30 BHEDRN C=CCC(CC=C)C(=O)N1CCCC[C@@H]1CCC ZINC000183060290 345937337 /nfs/dbraw/zinc/93/73/37/345937337.db2.gz NVIRWWAOKVNSRD-HNNXBMFYSA-N 0 0 249.398 3.936 20 30 BHEDRN C=CCCCC(=O)N1CCCC[C@H]1CCC ZINC000183066719 366972634 /nfs/dbraw/zinc/97/26/34/366972634.db2.gz YRAAYWBMBRGUHZ-CYBMUJFWSA-N 0 0 223.360 3.524 20 30 BHEDRN C=CCCCC(=O)N1CCCC[C@@H]1CCC ZINC000183066741 366972862 /nfs/dbraw/zinc/97/28/62/366972862.db2.gz YRAAYWBMBRGUHZ-ZDUSSCGKSA-N 0 0 223.360 3.524 20 30 BHEDRN C=CCCC(=O)N1CCC[C@@H](C)c2ccccc21 ZINC000183155988 366981119 /nfs/dbraw/zinc/98/11/19/366981119.db2.gz TUFQIDWBYKJNFE-CYBMUJFWSA-N 0 0 243.350 3.883 20 30 BHEDRN C=CCCC(=O)N1CCC[C@H](C)c2ccccc21 ZINC000183156006 366981467 /nfs/dbraw/zinc/98/14/67/366981467.db2.gz TUFQIDWBYKJNFE-ZDUSSCGKSA-N 0 0 243.350 3.883 20 30 BHEDRN Cc1c2ccccc2oc1[C@H](NCC#N)C(C)C ZINC000183256527 347123454 /nfs/dbraw/zinc/12/34/54/347123454.db2.gz HNMHMNBVUAWZLO-CQSZACIVSA-N 0 0 242.322 3.552 20 30 BHEDRN Cc1c2ccccc2oc1[C@@H](NCC#N)C(C)C ZINC000183256550 134922251 /nfs/dbraw/zinc/92/22/51/134922251.db2.gz HNMHMNBVUAWZLO-AWEZNQCLSA-N 0 0 242.322 3.552 20 30 BHEDRN C=CCS[C@@H](C)c1nc2ccccc2o1 ZINC000183272144 534885342 /nfs/dbraw/zinc/88/53/42/534885342.db2.gz KNKRDVSJOWLSLP-VIFPVBQESA-N 0 0 219.309 3.808 20 30 BHEDRN C=CCS[C@H](C)c1nc2ccccc2o1 ZINC000183272163 353524139 /nfs/dbraw/zinc/52/41/39/353524139.db2.gz KNKRDVSJOWLSLP-SECBINFHSA-N 0 0 219.309 3.808 20 30 BHEDRN C=CCC[C@H](Nc1cnn(C(C)(C)C)c1)C1CC1 ZINC000183393214 367019263 /nfs/dbraw/zinc/01/92/63/367019263.db2.gz XDMANUXQRDYTTA-AWEZNQCLSA-N 0 0 247.386 3.795 20 30 BHEDRN C=CCC[C@@H](Nc1cnn(C(C)(C)C)c1)C1CC1 ZINC000183393230 367019221 /nfs/dbraw/zinc/01/92/21/367019221.db2.gz XDMANUXQRDYTTA-CQSZACIVSA-N 0 0 247.386 3.795 20 30 BHEDRN C=CCC(CC=C)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000183434162 345938552 /nfs/dbraw/zinc/93/85/52/345938552.db2.gz 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3.584 20 30 BHEDRN N#CCCC[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1 ZINC000183726873 347134606 /nfs/dbraw/zinc/13/46/06/347134606.db2.gz HMFQBUKGKASOHP-CQSZACIVSA-N 0 0 248.757 3.684 20 30 BHEDRN N#CCCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000183726888 347134647 /nfs/dbraw/zinc/13/46/47/347134647.db2.gz HMFQBUKGKASOHP-AWEZNQCLSA-N 0 0 248.757 3.684 20 30 BHEDRN N#CC1(COC(=O)CCC2CCCCC2)CCC1 ZINC000183848341 643173624 /nfs/dbraw/zinc/17/36/24/643173624.db2.gz ALUQPKSUGILCKP-UHFFFAOYSA-N 0 0 249.354 3.584 20 30 BHEDRN CC1(C(=O)OCC2(C#N)CCC2)CCCCCC1 ZINC000183873435 643176186 /nfs/dbraw/zinc/17/61/86/643176186.db2.gz XPVMHVUSJPJYAI-UHFFFAOYSA-N 0 0 249.354 3.584 20 30 BHEDRN N#CC1(COC(=O)CCCC2CCCC2)CCC1 ZINC000183876642 643176257 /nfs/dbraw/zinc/17/62/57/643176257.db2.gz RUJXYUDXBJPWMM-UHFFFAOYSA-N 0 0 249.354 3.584 20 30 BHEDRN CCCCCCCC(=O)OCC1(C#N)CCC1 ZINC000183880815 643176936 /nfs/dbraw/zinc/17/69/36/643176936.db2.gz MMFCWYSKYFVHAE-UHFFFAOYSA-N 0 0 237.343 3.584 20 30 BHEDRN 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/nfs/dbraw/zinc/84/96/45/256849645.db2.gz APMQVTQDPQDYKX-JTQLQIEISA-N 0 0 237.730 3.881 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cccc(Cl)c1 ZINC000184862727 388583636 /nfs/dbraw/zinc/58/36/36/388583636.db2.gz APMQVTQDPQDYKX-SNVBAGLBSA-N 0 0 237.730 3.881 20 30 BHEDRN C=C(C)C[C@H](C)c1nc(Cc2ccccc2)no1 ZINC000184862963 367103691 /nfs/dbraw/zinc/10/36/91/367103691.db2.gz KPOLIWXGNIIKGT-LBPRGKRZSA-N 0 0 242.322 3.730 20 30 BHEDRN C=C(C)C[C@@H](C)c1nc(Cc2ccccc2)no1 ZINC000184862985 367103290 /nfs/dbraw/zinc/10/32/90/367103290.db2.gz KPOLIWXGNIIKGT-GFCCVEGCSA-N 0 0 242.322 3.730 20 30 BHEDRN CC#CCCCC(=O)Nc1c(C)cccc1CC ZINC000184863105 490369934 /nfs/dbraw/zinc/36/99/34/490369934.db2.gz RHXVAWNIPSQFIE-UHFFFAOYSA-N 0 0 243.350 3.690 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cccc(SC)c1 ZINC000184863244 388583927 /nfs/dbraw/zinc/58/39/27/388583927.db2.gz LSYWJJSBPORGSG-NSHDSACASA-N 0 0 249.379 3.949 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cccc(SC)c1 ZINC000184863265 388583995 /nfs/dbraw/zinc/58/39/95/388583995.db2.gz LSYWJJSBPORGSG-LLVKDONJSA-N 0 0 249.379 3.949 20 30 BHEDRN CC#CCCCC(=O)Nc1cccc(SC)c1 ZINC000184863289 353719117 /nfs/dbraw/zinc/71/91/17/353719117.db2.gz HENAROHZWXWHQZ-UHFFFAOYSA-N 0 0 247.363 3.541 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000184863853 388583651 /nfs/dbraw/zinc/58/36/51/388583651.db2.gz VEWRYFYTGHWZAI-JTQLQIEISA-N 0 0 237.730 3.881 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000184863866 388583892 /nfs/dbraw/zinc/58/38/92/388583892.db2.gz VEWRYFYTGHWZAI-SNVBAGLBSA-N 0 0 237.730 3.881 20 30 BHEDRN C=C(C)C[C@H](C)c1nc(C2CCCC2)no1 ZINC000184864429 490369816 /nfs/dbraw/zinc/36/98/16/490369816.db2.gz ZSVZHYZKWFEUTH-JTQLQIEISA-N 0 0 220.316 3.797 20 30 BHEDRN C=C(C)C[C@@H](C)c1nc(C2CCCC2)no1 ZINC000184864446 135656949 /nfs/dbraw/zinc/65/69/49/135656949.db2.gz ZSVZHYZKWFEUTH-SNVBAGLBSA-N 0 0 220.316 3.797 20 30 BHEDRN C=C(C)CN[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000184865156 135657153 /nfs/dbraw/zinc/65/71/53/135657153.db2.gz FGLGBLUIDZGEJD-LBPRGKRZSA-N 0 0 242.322 3.568 20 30 BHEDRN C=C(C)CN[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000184865175 353718615 /nfs/dbraw/zinc/71/86/15/353718615.db2.gz FGLGBLUIDZGEJD-GFCCVEGCSA-N 0 0 242.322 3.568 20 30 BHEDRN C#CCC(C)(C)C(=O)Nc1ccc(Cl)cc1C ZINC000184868422 532994737 /nfs/dbraw/zinc/99/47/37/532994737.db2.gz NKBQFCHAYHJVRQ-UHFFFAOYSA-N 0 0 249.741 3.636 20 30 BHEDRN CC#CCCCC(=O)Nc1ccc(Cl)cc1C ZINC000184868490 134928868 /nfs/dbraw/zinc/92/88/68/134928868.db2.gz PUQSKLCZYVUFBM-UHFFFAOYSA-N 0 0 249.741 3.781 20 30 BHEDRN C#CCC(C)(C)C(=O)Nc1cccc(Cl)c1C ZINC000184868769 353719076 /nfs/dbraw/zinc/71/90/76/353719076.db2.gz KSNLISKLGDJJKX-UHFFFAOYSA-N 0 0 249.741 3.636 20 30 BHEDRN C#CCC(C)(C)C(=O)Nc1ccc(C)cc1Cl ZINC000184872028 347182707 /nfs/dbraw/zinc/18/27/07/347182707.db2.gz RWRVEGOJTFMOSA-UHFFFAOYSA-N 0 0 249.741 3.636 20 30 BHEDRN CC#CCCCC(=O)Nc1ccc(C)cc1Cl ZINC000184872099 353718422 /nfs/dbraw/zinc/71/84/22/353718422.db2.gz HNOLNMZUOYKIEY-UHFFFAOYSA-N 0 0 249.741 3.781 20 30 BHEDRN C#CCC(C)(C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000184873792 643245493 /nfs/dbraw/zinc/24/54/93/643245493.db2.gz UMBWCLNNKFAXOX-UHFFFAOYSA-N 0 0 243.350 3.798 20 30 BHEDRN CC#CCCCC(=O)Nc1ccccc1C(C)C ZINC000184876689 135656927 /nfs/dbraw/zinc/65/69/27/135656927.db2.gz AFCNIYHMAFSOLK-UHFFFAOYSA-N 0 0 243.350 3.942 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(F)cc1F ZINC000184877472 135656767 /nfs/dbraw/zinc/65/67/67/135656767.db2.gz AJMIAOQIQPQLHB-VIFPVBQESA-N 0 0 239.265 3.506 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)cc1F ZINC000184877490 353718304 /nfs/dbraw/zinc/71/83/04/353718304.db2.gz AJMIAOQIQPQLHB-SECBINFHSA-N 0 0 239.265 3.506 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cc(F)ccc1F ZINC000184877643 135656932 /nfs/dbraw/zinc/65/69/32/135656932.db2.gz OGVOBIXJXCZAKR-VIFPVBQESA-N 0 0 239.265 3.506 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cc(F)ccc1F ZINC000184877657 353718510 /nfs/dbraw/zinc/71/85/10/353718510.db2.gz OGVOBIXJXCZAKR-SECBINFHSA-N 0 0 239.265 3.506 20 30 BHEDRN C#Cc1cccc(NC(=O)/C(C)=C/C(C)(C)C)c1 ZINC000184879443 643244488 /nfs/dbraw/zinc/24/44/88/643244488.db2.gz POOCTLSLYXXPQD-VAWYXSNFSA-N 0 0 241.334 3.599 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1c(F)cccc1F ZINC000184879655 135656906 /nfs/dbraw/zinc/65/69/06/135656906.db2.gz UPRDRFFPPQVZTD-VIFPVBQESA-N 0 0 239.265 3.506 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1c(F)cccc1F ZINC000184879672 353719051 /nfs/dbraw/zinc/71/90/51/353719051.db2.gz UPRDRFFPPQVZTD-SECBINFHSA-N 0 0 239.265 3.506 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000184879838 388584036 /nfs/dbraw/zinc/58/40/36/388584036.db2.gz SQJTXYNPDAVYQA-VIFPVBQESA-N 0 0 239.265 3.506 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 ZINC000184879856 388583508 /nfs/dbraw/zinc/58/35/08/388583508.db2.gz SQJTXYNPDAVYQA-SECBINFHSA-N 0 0 239.265 3.506 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cc(C)cc(C)c1 ZINC000184881104 388583869 /nfs/dbraw/zinc/58/38/69/388583869.db2.gz VAHRUIOAQUFPLU-ZDUSSCGKSA-N 0 0 231.339 3.844 20 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C=C(C)C[C@@H](C)C(=O)Nc1cc(C)ccc1OC ZINC000184882884 386643723 /nfs/dbraw/zinc/64/37/23/386643723.db2.gz FBPQTCOXRBNBHB-GFCCVEGCSA-N 0 0 247.338 3.544 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000184883533 388583778 /nfs/dbraw/zinc/58/37/78/388583778.db2.gz LWSHGKFIPYVYBS-AWEZNQCLSA-N 0 0 245.366 3.637 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(CC)Cc1ccccc1 ZINC000184883550 388583692 /nfs/dbraw/zinc/58/36/92/388583692.db2.gz LWSHGKFIPYVYBS-CQSZACIVSA-N 0 0 245.366 3.637 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000184883790 323082309 /nfs/dbraw/zinc/08/23/09/323082309.db2.gz XYYWIQGNAMELMH-NSHDSACASA-N 0 0 235.302 3.675 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000184883809 323082338 /nfs/dbraw/zinc/08/23/38/323082338.db2.gz XYYWIQGNAMELMH-LLVKDONJSA-N 0 0 235.302 3.675 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccccc1SC ZINC000184886355 388583566 /nfs/dbraw/zinc/58/35/66/388583566.db2.gz PMPNHVLDVLKTAD-NSHDSACASA-N 0 0 249.379 3.949 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1SC ZINC000184886372 256849760 /nfs/dbraw/zinc/84/97/60/256849760.db2.gz PMPNHVLDVLKTAD-LLVKDONJSA-N 0 0 249.379 3.949 20 30 BHEDRN CC#CCCCC(=O)Nc1ccccc1SC ZINC000184886398 490371045 /nfs/dbraw/zinc/37/10/45/490371045.db2.gz QGCJJSABZILSML-UHFFFAOYSA-N 0 0 247.363 3.541 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@H](C)CCC(C)C ZINC000184886947 256849779 /nfs/dbraw/zinc/84/97/79/256849779.db2.gz HHZUCBNBDPBSBL-QWHCGFSZSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCC(C)C ZINC000184886965 256849612 /nfs/dbraw/zinc/84/96/12/256849612.db2.gz HHZUCBNBDPBSBL-STQMWFEESA-N 0 0 225.376 3.530 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCC(C)C ZINC000184886981 388584091 /nfs/dbraw/zinc/58/40/91/388584091.db2.gz HHZUCBNBDPBSBL-CHWSQXEVSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCC(C)C ZINC000184887000 388583641 /nfs/dbraw/zinc/58/36/41/388583641.db2.gz HHZUCBNBDPBSBL-OLZOCXBDSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCCC1=CCCCC1 ZINC000184887662 526710284 /nfs/dbraw/zinc/71/02/84/526710284.db2.gz POMNRSRRRZBHTL-ZDUSSCGKSA-N 0 0 235.371 3.595 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCCC1=CCCCC1 ZINC000184887682 398256642 /nfs/dbraw/zinc/25/66/42/398256642.db2.gz POMNRSRRRZBHTL-CYBMUJFWSA-N 0 0 235.371 3.595 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(C)cc1F ZINC000184888311 256850131 /nfs/dbraw/zinc/85/01/31/256850131.db2.gz HEBQKDICUGCOEV-NSHDSACASA-N 0 0 235.302 3.675 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(C)cc1F ZINC000184888330 256849866 /nfs/dbraw/zinc/84/98/66/256849866.db2.gz HEBQKDICUGCOEV-LLVKDONJSA-N 0 0 235.302 3.675 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccccc1OCC ZINC000184890000 386642523 /nfs/dbraw/zinc/64/25/23/386642523.db2.gz CLFSDMNCAZQCOJ-LBPRGKRZSA-N 0 0 247.338 3.626 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1OCC ZINC000184890017 386643611 /nfs/dbraw/zinc/64/36/11/386643611.db2.gz CLFSDMNCAZQCOJ-GFCCVEGCSA-N 0 0 247.338 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cccc(CC)c1 ZINC000184890364 388583736 /nfs/dbraw/zinc/58/37/36/388583736.db2.gz LTOPODFPJDMHQS-LBPRGKRZSA-N 0 0 231.339 3.790 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cccc(CC)c1 ZINC000184890383 388584016 /nfs/dbraw/zinc/58/40/16/388584016.db2.gz LTOPODFPJDMHQS-GFCCVEGCSA-N 0 0 231.339 3.790 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cc(C)ccc1F ZINC000184894738 386643290 /nfs/dbraw/zinc/64/32/90/386643290.db2.gz GKTKRSKHZWHECQ-NSHDSACASA-N 0 0 235.302 3.675 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cc(C)ccc1F ZINC000184894756 490371146 /nfs/dbraw/zinc/37/11/46/490371146.db2.gz GKTKRSKHZWHECQ-LLVKDONJSA-N 0 0 235.302 3.675 20 30 BHEDRN C#CCC(C)(C)C(=O)Nc1cc(Cl)ccc1C ZINC000184896201 490371244 /nfs/dbraw/zinc/37/12/44/490371244.db2.gz MOOKTCZDFHNTIX-UHFFFAOYSA-N 0 0 249.741 3.636 20 30 BHEDRN CC#CCCCC(=O)Nc1cc(Cl)ccc1C ZINC000184896291 526301675 /nfs/dbraw/zinc/30/16/75/526301675.db2.gz YQVZJUYMWXGYRO-UHFFFAOYSA-N 0 0 249.741 3.781 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1c(C)cccc1C ZINC000184897476 526713557 /nfs/dbraw/zinc/71/35/57/526713557.db2.gz PMPZZSUDWGKQNF-ZDUSSCGKSA-N 0 0 231.339 3.844 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1c(C)cccc1C ZINC000184897495 386643022 /nfs/dbraw/zinc/64/30/22/386643022.db2.gz PMPZZSUDWGKQNF-CYBMUJFWSA-N 0 0 231.339 3.844 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000184905304 136229259 /nfs/dbraw/zinc/22/92/59/136229259.db2.gz PKLRZHNFKSWYMI-AWEZNQCLSA-N 0 0 245.366 3.556 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(C)Cc1ccc(C)cc1 ZINC000184905327 533532297 /nfs/dbraw/zinc/53/22/97/533532297.db2.gz PKLRZHNFKSWYMI-CQSZACIVSA-N 0 0 245.366 3.556 20 30 BHEDRN CC#CCCSCc1cc(-c2ccco2)on1 ZINC000184931528 353729309 /nfs/dbraw/zinc/72/93/09/353729309.db2.gz BATSVQYQDCXVRU-UHFFFAOYSA-N 0 0 247.319 3.581 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000184934836 256849506 /nfs/dbraw/zinc/84/95/06/256849506.db2.gz UGCINWDEJVDICX-LBPRGKRZSA-N 0 0 243.350 3.716 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc2c(c1)CCC2 ZINC000184934852 388583957 /nfs/dbraw/zinc/58/39/57/388583957.db2.gz UGCINWDEJVDICX-GFCCVEGCSA-N 0 0 243.350 3.716 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccccc1CC ZINC000184945332 388583918 /nfs/dbraw/zinc/58/39/18/388583918.db2.gz NVQDSRSJAZGEIL-LBPRGKRZSA-N 0 0 231.339 3.790 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccccc1CC ZINC000184945349 388583950 /nfs/dbraw/zinc/58/39/50/388583950.db2.gz NVQDSRSJAZGEIL-GFCCVEGCSA-N 0 0 231.339 3.790 20 30 BHEDRN CC#CCCCC(=O)Oc1ccccc1C(C)C ZINC000184950579 643252826 /nfs/dbraw/zinc/25/28/26/643252826.db2.gz UFWUXKHOWFFZHU-UHFFFAOYSA-N 0 0 244.334 3.909 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(F)cc1C ZINC000184952318 135661427 /nfs/dbraw/zinc/66/14/27/135661427.db2.gz OOJZLNGTHSVCHQ-NSHDSACASA-N 0 0 235.302 3.675 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(F)cc1C ZINC000184952333 347185950 /nfs/dbraw/zinc/18/59/50/347185950.db2.gz OOJZLNGTHSVCHQ-LLVKDONJSA-N 0 0 235.302 3.675 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]2CCCC[C@@H]21 ZINC000184958153 388583464 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C=C(C)C[C@@H](C)C(=O)NC(C)(C)CC(C)(C)C ZINC000184970073 388584099 /nfs/dbraw/zinc/58/40/99/388584099.db2.gz GJPNTPNKSOBCGY-GFCCVEGCSA-N 0 0 239.403 3.920 20 30 BHEDRN CC#CCCCC(=O)NC(C)(C)CC(C)(C)C ZINC000184970095 388583745 /nfs/dbraw/zinc/58/37/45/388583745.db2.gz XYNIJXRKJRSNIT-UHFFFAOYSA-N 0 0 237.387 3.511 20 30 BHEDRN C=C(C)COc1ccc2[nH]c(C)cc2c1F ZINC000184972470 388583990 /nfs/dbraw/zinc/58/39/90/388583990.db2.gz RAOORDCTVCXYPD-UHFFFAOYSA-N 0 0 219.259 3.570 20 30 BHEDRN C#CCC(C)(C)C(=O)Nc1cccc(C(C)C)c1 ZINC000184972496 643255737 /nfs/dbraw/zinc/25/57/37/643255737.db2.gz BIHKZFLRDNEDMT-UHFFFAOYSA-N 0 0 243.350 3.798 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000185002197 256850736 /nfs/dbraw/zinc/85/07/36/256850736.db2.gz QGZHGENQDSFNIJ-NSHDSACASA-N 0 0 249.379 3.949 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(SC)cc1 ZINC000185002214 388584765 /nfs/dbraw/zinc/58/47/65/388584765.db2.gz QGZHGENQDSFNIJ-LLVKDONJSA-N 0 0 249.379 3.949 20 30 BHEDRN CC#CCCCC(=O)Nc1ccc(SC)cc1 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C=C(C)C[C@@H](C)C(=O)N(CC)c1ccccc1 ZINC000185012015 353739696 /nfs/dbraw/zinc/73/96/96/353739696.db2.gz WRXDFXIHCBJIRX-CYBMUJFWSA-N 0 0 231.339 3.642 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cc(F)cc(F)c1 ZINC000185014958 388584629 /nfs/dbraw/zinc/58/46/29/388584629.db2.gz BXRSZSJMDYDXAC-VIFPVBQESA-N 0 0 239.265 3.506 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cc(F)cc(F)c1 ZINC000185014980 256850488 /nfs/dbraw/zinc/85/04/88/256850488.db2.gz BXRSZSJMDYDXAC-SECBINFHSA-N 0 0 239.265 3.506 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCCCC1CCCC1 ZINC000185020692 388585078 /nfs/dbraw/zinc/58/50/78/388585078.db2.gz MGCYCZPXHABNKR-ZDUSSCGKSA-N 0 0 237.387 3.675 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCCCC1CCCC1 ZINC000185020710 388584965 /nfs/dbraw/zinc/58/49/65/388584965.db2.gz MGCYCZPXHABNKR-CYBMUJFWSA-N 0 0 237.387 3.675 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(C)C1CCC(C)CC1 ZINC000185029489 388585035 /nfs/dbraw/zinc/58/50/35/388585035.db2.gz YCEKLVDMOVDTCT-MOKVOYLWSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(C)C1CCC(C)CC1 ZINC000185029507 388584722 /nfs/dbraw/zinc/58/47/22/388584722.db2.gz YCEKLVDMOVDTCT-ROKHWSDSSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(CC)c1ccc(F)cc1 ZINC000185035074 388584947 /nfs/dbraw/zinc/58/49/47/388584947.db2.gz OUEMSPLXCMQZAT-LBPRGKRZSA-N 0 0 249.329 3.781 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(CC)c1ccc(F)cc1 ZINC000185035092 388585084 /nfs/dbraw/zinc/58/50/84/388585084.db2.gz OUEMSPLXCMQZAT-GFCCVEGCSA-N 0 0 249.329 3.781 20 30 BHEDRN N#CCCSCCCCc1ccccc1 ZINC000185081127 136275095 /nfs/dbraw/zinc/27/50/95/136275095.db2.gz NQYIJSMMQVITDW-UHFFFAOYSA-N 0 0 219.353 3.656 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(C)C1CCCCCC1 ZINC000185099618 388584870 /nfs/dbraw/zinc/58/48/70/388584870.db2.gz QOKOAKKULJECOW-ZDUSSCGKSA-N 0 0 237.387 3.770 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(C)C1CCCCCC1 ZINC000185099634 388584962 /nfs/dbraw/zinc/58/49/62/388584962.db2.gz QOKOAKKULJECOW-CYBMUJFWSA-N 0 0 237.387 3.770 20 30 BHEDRN 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C=C(C)C[C@H](C)C(=O)Nc1c(C)cc(C)nc1C ZINC000185132173 134374765 /nfs/dbraw/zinc/37/47/65/134374765.db2.gz VAMYITXKRKSGLG-NSHDSACASA-N 0 0 246.354 3.548 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1c(C)cc(C)nc1C ZINC000185132190 134374724 /nfs/dbraw/zinc/37/47/24/134374724.db2.gz VAMYITXKRKSGLG-LLVKDONJSA-N 0 0 246.354 3.548 20 30 BHEDRN CC/C=C/CCNc1ccccc1O[C@@H](C)C#N ZINC000185135015 535234430 /nfs/dbraw/zinc/23/44/30/535234430.db2.gz JANRNTIASYHSHK-IHVVCDCBSA-N 0 0 244.338 3.746 20 30 BHEDRN CC/C=C/CCNc1ccccc1O[C@H](C)C#N ZINC000185135034 535233473 /nfs/dbraw/zinc/23/34/73/535233473.db2.gz JANRNTIASYHSHK-MUBLQREKSA-N 0 0 244.338 3.746 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000185146733 398090076 /nfs/dbraw/zinc/09/00/76/398090076.db2.gz LAKONXNMAWJCEJ-QWHCGFSZSA-N 0 0 243.350 3.739 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)c2ccccc21 ZINC000185146754 256851764 /nfs/dbraw/zinc/85/17/64/256851764.db2.gz LAKONXNMAWJCEJ-STQMWFEESA-N 0 0 243.350 3.739 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000185146771 256851855 /nfs/dbraw/zinc/85/18/55/256851855.db2.gz LAKONXNMAWJCEJ-CHWSQXEVSA-N 0 0 243.350 3.739 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1C[C@H](C)c2ccccc21 ZINC000185146786 398089812 /nfs/dbraw/zinc/08/98/12/398089812.db2.gz LAKONXNMAWJCEJ-OLZOCXBDSA-N 0 0 243.350 3.739 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(CC)c1ccccc1C ZINC000185159292 398089856 /nfs/dbraw/zinc/08/98/56/398089856.db2.gz WKWZMNJUHSXEJO-AWEZNQCLSA-N 0 0 245.366 3.950 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(CC)c1ccccc1C ZINC000185159311 256851854 /nfs/dbraw/zinc/85/18/54/256851854.db2.gz WKWZMNJUHSXEJO-CQSZACIVSA-N 0 0 245.366 3.950 20 30 BHEDRN CC#CCCCC(=O)N(CC)c1ccccc1C ZINC000185159332 353764694 /nfs/dbraw/zinc/76/46/94/353764694.db2.gz HYAFNVLKEKJYFS-UHFFFAOYSA-N 0 0 243.350 3.542 20 30 BHEDRN C=CCN(C(=O)[C@@H](C)CC(=C)C)c1ccccc1 ZINC000185159395 262741486 /nfs/dbraw/zinc/74/14/86/262741486.db2.gz YYKGCMFWTMRSNA-AWEZNQCLSA-N 0 0 243.350 3.808 20 30 BHEDRN C=CCN(C(=O)[C@H](C)CC(=C)C)c1ccccc1 ZINC000185159409 398089479 /nfs/dbraw/zinc/08/94/79/398089479.db2.gz YYKGCMFWTMRSNA-CQSZACIVSA-N 0 0 243.350 3.808 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(C(C)C)C1CCCC1 ZINC000185196090 323182948 /nfs/dbraw/zinc/18/29/48/323182948.db2.gz RAWONIXANVVSCK-ZDUSSCGKSA-N 0 0 237.387 3.768 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(C(C)C)C1CCCC1 ZINC000185196108 256851368 /nfs/dbraw/zinc/85/13/68/256851368.db2.gz RAWONIXANVVSCK-CYBMUJFWSA-N 0 0 237.387 3.768 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(C1CC1)C1CCCC1 ZINC000185207045 345946246 /nfs/dbraw/zinc/94/62/46/345946246.db2.gz FBIAVZPLUSOIHY-LBPRGKRZSA-N 0 0 235.371 3.522 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(C1CC1)C1CCCC1 ZINC000185207056 345946353 /nfs/dbraw/zinc/94/63/53/345946353.db2.gz FBIAVZPLUSOIHY-GFCCVEGCSA-N 0 0 235.371 3.522 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCc1ccc(C)cc1C ZINC000185207477 398090912 /nfs/dbraw/zinc/09/09/12/398090912.db2.gz ZZTKYXOBBNSALI-AWEZNQCLSA-N 0 0 245.366 3.522 20 30 BHEDRN 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/nfs/dbraw/zinc/58/85/45/388588545.db2.gz YGRUJRTXIZKVPZ-STQMWFEESA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)[C@H](C)CC(C)C ZINC000185563467 517324565 /nfs/dbraw/zinc/32/45/65/517324565.db2.gz YGRUJRTXIZKVPZ-CHWSQXEVSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)[C@@H](C)CC(C)C ZINC000185563483 388588355 /nfs/dbraw/zinc/58/83/55/388588355.db2.gz YGRUJRTXIZKVPZ-QWHCGFSZSA-N 0 0 225.376 3.530 20 30 BHEDRN C#CCC(C)(C)C(=O)N(C)C1CCCCCCC1 ZINC000185566538 634049854 /nfs/dbraw/zinc/04/98/54/634049854.db2.gz DKLGTRLYYPSMNO-UHFFFAOYSA-N 0 0 249.398 3.607 20 30 BHEDRN CCSCCSCCCC(C)(C)C#N ZINC000185570878 643337321 /nfs/dbraw/zinc/33/73/21/643337321.db2.gz UUKLQHFPCKGUJZ-UHFFFAOYSA-N 0 0 231.430 3.803 20 30 BHEDRN CCSCCS[C@@H](C#N)C1CCCCC1 ZINC000185585005 643341023 /nfs/dbraw/zinc/34/10/23/643341023.db2.gz YRCSYBNGTRSACO-LBPRGKRZSA-N 0 0 243.441 3.945 20 30 BHEDRN CCSCCS[C@H](C#N)C1CCCCC1 ZINC000185585021 643339716 /nfs/dbraw/zinc/33/97/16/643339716.db2.gz YRCSYBNGTRSACO-GFCCVEGCSA-N 0 0 243.441 3.945 20 30 BHEDRN CC#CCCCC(=O)N(C(C)C)C1CCCCC1 ZINC000185588367 388589225 /nfs/dbraw/zinc/58/92/25/388589225.db2.gz OJUVEIGSKZDHOD-UHFFFAOYSA-N 0 0 249.398 3.750 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](CC)CC1 ZINC000185598771 388589641 /nfs/dbraw/zinc/58/96/41/388589641.db2.gz SFHYKYNEMDBHSJ-UONOGXRCSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](CC)CC1 ZINC000185598793 388589123 /nfs/dbraw/zinc/58/91/23/388589123.db2.gz SFHYKYNEMDBHSJ-KBPBESRZSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](CC)CC1 ZINC000185598812 256855828 /nfs/dbraw/zinc/85/58/28/256855828.db2.gz SFHYKYNEMDBHSJ-ZIAGYGMSSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](CC)CC1 ZINC000185598833 256855816 /nfs/dbraw/zinc/85/58/16/256855816.db2.gz SFHYKYNEMDBHSJ-KGLIPLIRSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1C(C)C ZINC000185601361 388589251 /nfs/dbraw/zinc/58/92/51/388589251.db2.gz BEXFAHFZNGQBIX-KBPBESRZSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1C(C)C ZINC000185601380 386712991 /nfs/dbraw/zinc/71/29/91/386712991.db2.gz BEXFAHFZNGQBIX-UONOGXRCSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1C(C)C ZINC000185601399 388589500 /nfs/dbraw/zinc/58/95/00/388589500.db2.gz BEXFAHFZNGQBIX-KGLIPLIRSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1C(C)C ZINC000185601417 256855466 /nfs/dbraw/zinc/85/54/66/256855466.db2.gz BEXFAHFZNGQBIX-ZIAGYGMSSA-N 0 0 237.387 3.626 20 30 BHEDRN CCSCCSCc1cccc(C#N)c1 ZINC000185605756 170640231 /nfs/dbraw/zinc/64/02/31/170640231.db2.gz SLNAAIXPVPTORG-UHFFFAOYSA-N 0 0 237.393 3.545 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cccc2[nH]ccc21 ZINC000185607436 353822264 /nfs/dbraw/zinc/82/22/64/353822264.db2.gz ANMKHPANAUOLMK-NSHDSACASA-N 0 0 242.322 3.709 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cccc2[nH]ccc21 ZINC000185607455 353822605 /nfs/dbraw/zinc/82/26/05/353822605.db2.gz ANMKHPANAUOLMK-LLVKDONJSA-N 0 0 242.322 3.709 20 30 BHEDRN CCSCCSCc1ccc(C#N)cc1 ZINC000185610692 386584212 /nfs/dbraw/zinc/58/42/12/386584212.db2.gz CACRUSICSCUXQS-UHFFFAOYSA-N 0 0 237.393 3.545 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000185617542 388589672 /nfs/dbraw/zinc/58/96/72/388589672.db2.gz AHUMXFGFWTXERC-STQMWFEESA-N 0 0 239.403 3.920 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000185617559 388589449 /nfs/dbraw/zinc/58/94/49/388589449.db2.gz AHUMXFGFWTXERC-QWHCGFSZSA-N 0 0 239.403 3.920 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000185617576 388589527 /nfs/dbraw/zinc/58/95/27/388589527.db2.gz AHUMXFGFWTXERC-OLZOCXBDSA-N 0 0 239.403 3.920 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@H](C)CCC(C)(C)C ZINC000185617594 256856695 /nfs/dbraw/zinc/85/66/95/256856695.db2.gz AHUMXFGFWTXERC-CHWSQXEVSA-N 0 0 239.403 3.920 20 30 BHEDRN CC#CCCCC(=O)N[C@@H](C)CCC(C)(C)C ZINC000185617656 384746761 /nfs/dbraw/zinc/74/67/61/384746761.db2.gz AKXUZVYBMGZPLF-ZDUSSCGKSA-N 0 0 237.387 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@H](C)CCC(C)(C)C ZINC000185617675 388589359 /nfs/dbraw/zinc/58/93/59/388589359.db2.gz AKXUZVYBMGZPLF-CYBMUJFWSA-N 0 0 237.387 3.511 20 30 BHEDRN C=C(C)CN(CC)C(=O)C1(CC)CCCCC1 ZINC000185624577 388589465 /nfs/dbraw/zinc/58/94/65/388589465.db2.gz OJLNZUKTPRMWFP-UHFFFAOYSA-N 0 0 237.387 3.772 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCCCC[C@H]1CC ZINC000185641057 256856809 /nfs/dbraw/zinc/85/68/09/256856809.db2.gz GQEVNMSXJXLVQR-UONOGXRCSA-N 0 0 237.387 3.770 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCCCC[C@@H]1CC ZINC000185641074 388589463 /nfs/dbraw/zinc/58/94/63/388589463.db2.gz GQEVNMSXJXLVQR-KBPBESRZSA-N 0 0 237.387 3.770 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@H]1CC ZINC000185641087 256856459 /nfs/dbraw/zinc/85/64/59/256856459.db2.gz GQEVNMSXJXLVQR-ZIAGYGMSSA-N 0 0 237.387 3.770 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCCCC[C@@H]1CC ZINC000185641104 256856392 /nfs/dbraw/zinc/85/63/92/256856392.db2.gz GQEVNMSXJXLVQR-KGLIPLIRSA-N 0 0 237.387 3.770 20 30 BHEDRN CC#CCCCC(=O)N(CC)[C@@H]1CCCC[C@@H]1C ZINC000185641611 256856191 /nfs/dbraw/zinc/85/61/91/256856191.db2.gz DXDWRASNGOFZMN-LSDHHAIUSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N(CC)[C@H]1CCCC[C@@H]1C ZINC000185641626 256856320 /nfs/dbraw/zinc/85/63/20/256856320.db2.gz DXDWRASNGOFZMN-GJZGRUSLSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N(CC)[C@@H]1CCCC[C@H]1C ZINC000185641644 256856335 /nfs/dbraw/zinc/85/63/35/256856335.db2.gz DXDWRASNGOFZMN-HUUCEWRRSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N(CC)[C@H]1CCCC[C@H]1C ZINC000185641666 388589254 /nfs/dbraw/zinc/58/92/54/388589254.db2.gz DXDWRASNGOFZMN-CABCVRRESA-N 0 0 249.398 3.607 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCCCC(C)(C)C ZINC000185641981 345949739 /nfs/dbraw/zinc/94/97/39/345949739.db2.gz BZMDDZOJMUSPLD-LBPRGKRZSA-N 0 0 225.376 3.531 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCCCC(C)(C)C ZINC000185642000 345949775 /nfs/dbraw/zinc/94/97/75/345949775.db2.gz BZMDDZOJMUSPLD-GFCCVEGCSA-N 0 0 225.376 3.531 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000185643833 388589717 /nfs/dbraw/zinc/58/97/17/388589717.db2.gz PKNVZGBUVUDGAL-AVGNSLFASA-N 0 0 237.387 3.530 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000185643855 259301092 /nfs/dbraw/zinc/30/10/92/259301092.db2.gz PKNVZGBUVUDGAL-UPJWGTAASA-N 0 0 237.387 3.530 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@H]1CCC[C@@H](CC)C1 ZINC000185647841 388589505 /nfs/dbraw/zinc/58/95/05/388589505.db2.gz MZXHKLPLQPCDKL-MJBXVCDLSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@H]1CCC[C@H](CC)C1 ZINC000185647857 388589062 /nfs/dbraw/zinc/58/90/62/388589062.db2.gz MZXHKLPLQPCDKL-IHRRRGAJSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@@H](CC)C1 ZINC000185647872 388589370 /nfs/dbraw/zinc/58/93/70/388589370.db2.gz MZXHKLPLQPCDKL-BFHYXJOUSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@H](CC)C1 ZINC000185647889 388589538 /nfs/dbraw/zinc/58/95/38/388589538.db2.gz MZXHKLPLQPCDKL-MELADBBJSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000185656913 256856852 /nfs/dbraw/zinc/85/68/52/256856852.db2.gz PGGPVYQZGNXOTK-STQMWFEESA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)C1CCCCC1 ZINC000185656927 388590508 /nfs/dbraw/zinc/59/05/08/388590508.db2.gz PGGPVYQZGNXOTK-OLZOCXBDSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@H](C)C1CCCCC1 ZINC000185656945 388589951 /nfs/dbraw/zinc/58/99/51/388589951.db2.gz PGGPVYQZGNXOTK-QWHCGFSZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@H](C)C1CCCCC1 ZINC000185656960 388590063 /nfs/dbraw/zinc/59/00/63/388590063.db2.gz PGGPVYQZGNXOTK-CHWSQXEVSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NC1CCC(C)(C)CC1 ZINC000185659251 388590503 /nfs/dbraw/zinc/59/05/03/388590503.db2.gz CQFGVDKFSDWJIU-LBPRGKRZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NC1CCC(C)(C)CC1 ZINC000185659265 388590559 /nfs/dbraw/zinc/59/05/59/388590559.db2.gz CQFGVDKFSDWJIU-GFCCVEGCSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000185663336 388590636 /nfs/dbraw/zinc/59/06/36/388590636.db2.gz ZDJDGYKEFPJFNC-RDBSUJKOSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000185663352 388589991 /nfs/dbraw/zinc/58/99/91/388589991.db2.gz ZDJDGYKEFPJFNC-IHRRRGAJSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)CCC[C@H]1C ZINC000185663373 583598735 /nfs/dbraw/zinc/59/87/35/583598735.db2.gz ZDJDGYKEFPJFNC-HZSPNIEDSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000185663392 256856616 /nfs/dbraw/zinc/85/66/16/256856616.db2.gz ZDJDGYKEFPJFNC-MELADBBJSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NC(CC)(CC)CC ZINC000185666588 388590473 /nfs/dbraw/zinc/59/04/73/388590473.db2.gz LZGXLLDAIUTJGF-LBPRGKRZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NC(CC)(CC)CC ZINC000185666610 388590089 /nfs/dbraw/zinc/59/00/89/388590089.db2.gz LZGXLLDAIUTJGF-GFCCVEGCSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCCC(C)(C)CC1 ZINC000185671230 388589983 /nfs/dbraw/zinc/58/99/83/388589983.db2.gz LFZWNBZHEPTELM-ZDUSSCGKSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCCC(C)(C)CC1 ZINC000185671249 388589953 /nfs/dbraw/zinc/58/99/53/388589953.db2.gz LFZWNBZHEPTELM-CYBMUJFWSA-N 0 0 237.387 3.627 20 30 BHEDRN CC(C)c1ccc(NC(=O)CC#N)c(C(C)C)c1 ZINC000185674570 134931498 /nfs/dbraw/zinc/93/14/98/134931498.db2.gz LYNYPNNSQLUIOE-UHFFFAOYSA-N 0 0 244.338 3.786 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC2(C1)CCCCC2 ZINC000185680929 134388814 /nfs/dbraw/zinc/38/88/14/134388814.db2.gz IZXHMCADSJQYDK-AWEZNQCLSA-N 0 0 249.398 3.772 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC2(C1)CCCCC2 ZINC000185680948 134388768 /nfs/dbraw/zinc/38/87/68/134388768.db2.gz IZXHMCADSJQYDK-CQSZACIVSA-N 0 0 249.398 3.772 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000185687585 388590004 /nfs/dbraw/zinc/59/00/04/388590004.db2.gz MVGDVNZAGFKPQV-XGUBFFRZSA-N 0 0 249.398 3.768 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000185687629 256857383 /nfs/dbraw/zinc/85/73/83/256857383.db2.gz MVGDVNZAGFKPQV-YJNKXOJESA-N 0 0 249.398 3.768 20 30 BHEDRN N#C[C@H](Sc1cccc(O)c1)C1CCCCC1 ZINC000185692453 347209865 /nfs/dbraw/zinc/20/98/65/347209865.db2.gz PDHHNNJXSNXUCK-AWEZNQCLSA-N 0 0 247.363 3.957 20 30 BHEDRN N#C[C@@H](Sc1cccc(O)c1)C1CCCCC1 ZINC000185692472 347209733 /nfs/dbraw/zinc/20/97/33/347209733.db2.gz PDHHNNJXSNXUCK-CQSZACIVSA-N 0 0 247.363 3.957 20 30 BHEDRN CC#CCCCC(=O)N([C@H](C)[C@H](C)CC)C1CC1 ZINC000185700279 388590741 /nfs/dbraw/zinc/59/07/41/388590741.db2.gz NSZMDJCJEPKPIA-ZIAGYGMSSA-N 0 0 249.398 3.606 20 30 BHEDRN CC#CCCCC(=O)N([C@H](C)[C@@H](C)CC)C1CC1 ZINC000185700296 256857680 /nfs/dbraw/zinc/85/76/80/256857680.db2.gz NSZMDJCJEPKPIA-UONOGXRCSA-N 0 0 249.398 3.606 20 30 BHEDRN CC#CCCCC(=O)N([C@@H](C)[C@H](C)CC)C1CC1 ZINC000185700311 388590625 /nfs/dbraw/zinc/59/06/25/388590625.db2.gz NSZMDJCJEPKPIA-KGLIPLIRSA-N 0 0 249.398 3.606 20 30 BHEDRN CC#CCCCC(=O)N([C@@H](C)[C@@H](C)CC)C1CC1 ZINC000185700334 256857787 /nfs/dbraw/zinc/85/77/87/256857787.db2.gz NSZMDJCJEPKPIA-KBPBESRZSA-N 0 0 249.398 3.606 20 30 BHEDRN C[C@H](SCCCC(C)(C)C#N)c1cnccn1 ZINC000185701092 347209775 /nfs/dbraw/zinc/20/97/75/347209775.db2.gz CDWXRSULHZHMTI-NSHDSACASA-N 0 0 249.383 3.601 20 30 BHEDRN C[C@@H](SCCCC(C)(C)C#N)c1cnccn1 ZINC000185701108 347210059 /nfs/dbraw/zinc/21/00/59/347210059.db2.gz CDWXRSULHZHMTI-LLVKDONJSA-N 0 0 249.383 3.601 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@@](C)(CC)C1 ZINC000185713191 388590728 /nfs/dbraw/zinc/59/07/28/388590728.db2.gz QWDWUGUKJWHZDO-DZGCQCFKSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@](C)(CC)C1 ZINC000185713209 256857127 /nfs/dbraw/zinc/85/71/27/256857127.db2.gz QWDWUGUKJWHZDO-ZFWWWQNUSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@](C)(CC)C1 ZINC000185713229 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/nfs/dbraw/zinc/21/12/96/347211296.db2.gz HUGBGVYVOPYOOF-YPMHNXCESA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1ccc(C)c(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185734799 256857442 /nfs/dbraw/zinc/85/74/42/256857442.db2.gz JNSOZNFWLMABMF-UONOGXRCSA-N 0 0 228.339 3.798 20 30 BHEDRN Cc1ccc(C)c(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185734820 388591325 /nfs/dbraw/zinc/59/13/25/388591325.db2.gz JNSOZNFWLMABMF-KBPBESRZSA-N 0 0 228.339 3.798 20 30 BHEDRN Cc1ccc(C)c(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185734839 383992424 /nfs/dbraw/zinc/99/24/24/383992424.db2.gz JNSOZNFWLMABMF-ZIAGYGMSSA-N 0 0 228.339 3.798 20 30 BHEDRN Cc1ccc(C)c(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185734861 388591014 /nfs/dbraw/zinc/59/10/14/388591014.db2.gz JNSOZNFWLMABMF-KGLIPLIRSA-N 0 0 228.339 3.798 20 30 BHEDRN N#C[C@H]1CCC[C@@H](Nc2ccccc2Cl)C1 ZINC000185734968 134392976 /nfs/dbraw/zinc/39/29/76/134392976.db2.gz LPURGCUOVGDLDX-WDEREUQCSA-N 0 0 234.730 3.834 20 30 BHEDRN N#C[C@H]1CCC[C@H](Nc2ccccc2Cl)C1 ZINC000185734987 134393154 /nfs/dbraw/zinc/39/31/54/134393154.db2.gz LPURGCUOVGDLDX-QWRGUYRKSA-N 0 0 234.730 3.834 20 30 BHEDRN N#C[C@@H]1CCC[C@@H](Nc2ccccc2Cl)C1 ZINC000185735007 134392797 /nfs/dbraw/zinc/39/27/97/134392797.db2.gz LPURGCUOVGDLDX-GHMZBOCLSA-N 0 0 234.730 3.834 20 30 BHEDRN N#C[C@@H]1CCC[C@H](Nc2ccccc2Cl)C1 ZINC000185735024 134392888 /nfs/dbraw/zinc/39/28/88/134392888.db2.gz LPURGCUOVGDLDX-MNOVXSKESA-N 0 0 234.730 3.834 20 30 BHEDRN Cc1ccc(F)cc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000185735485 347211319 /nfs/dbraw/zinc/21/13/19/347211319.db2.gz RUAQAGIEMVYDMZ-WCQYABFASA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1ccc(F)cc1N[C@H]1CCC[C@H](C#N)C1 ZINC000185735504 347211525 /nfs/dbraw/zinc/21/15/25/347211525.db2.gz RUAQAGIEMVYDMZ-AAEUAGOBSA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1ccc(F)cc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000185735522 347211566 /nfs/dbraw/zinc/21/15/66/347211566.db2.gz RUAQAGIEMVYDMZ-DGCLKSJQSA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1ccc(F)cc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000185735542 134932853 /nfs/dbraw/zinc/93/28/53/134932853.db2.gz RUAQAGIEMVYDMZ-YPMHNXCESA-N 0 0 232.302 3.628 20 30 BHEDRN CSc1ccccc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000185735735 347211449 /nfs/dbraw/zinc/21/14/49/347211449.db2.gz SHJOJFVTRIEETC-NWDGAFQWSA-N 0 0 246.379 3.903 20 30 BHEDRN CSc1ccccc1N[C@H]1CCC[C@H](C#N)C1 ZINC000185735752 347211630 /nfs/dbraw/zinc/21/16/30/347211630.db2.gz SHJOJFVTRIEETC-RYUDHWBXSA-N 0 0 246.379 3.903 20 30 BHEDRN CSc1ccccc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000185735768 347211364 /nfs/dbraw/zinc/21/13/64/347211364.db2.gz SHJOJFVTRIEETC-VXGBXAGGSA-N 0 0 246.379 3.903 20 30 BHEDRN CSc1ccccc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000185735793 134932368 /nfs/dbraw/zinc/93/23/68/134932368.db2.gz SHJOJFVTRIEETC-NEPJUHHUSA-N 0 0 246.379 3.903 20 30 BHEDRN Cc1cc(F)cc(N[C@@H]2CCC[C@H](C#N)C2)c1 ZINC000185737359 134932327 /nfs/dbraw/zinc/93/23/27/134932327.db2.gz XLFUHHXGJLIUEJ-WCQYABFASA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1cc(F)cc(N[C@H]2CCC[C@H](C#N)C2)c1 ZINC000185737378 347212348 /nfs/dbraw/zinc/21/23/48/347212348.db2.gz XLFUHHXGJLIUEJ-AAEUAGOBSA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1cc(F)cc(N[C@@H]2CCC[C@@H](C#N)C2)c1 ZINC000185737394 347212684 /nfs/dbraw/zinc/21/26/84/347212684.db2.gz XLFUHHXGJLIUEJ-DGCLKSJQSA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1cc(F)cc(N[C@H]2CCC[C@@H](C#N)C2)c1 ZINC000185737416 347212181 /nfs/dbraw/zinc/21/21/81/347212181.db2.gz XLFUHHXGJLIUEJ-YPMHNXCESA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1c(F)cccc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000185737711 347212515 /nfs/dbraw/zinc/21/25/15/347212515.db2.gz LAICNDVZKKACEY-NWDGAFQWSA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1c(F)cccc1N[C@H]1CCC[C@H](C#N)C1 ZINC000185737730 347212769 /nfs/dbraw/zinc/21/27/69/347212769.db2.gz LAICNDVZKKACEY-RYUDHWBXSA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1c(F)cccc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000185737751 347212744 /nfs/dbraw/zinc/21/27/44/347212744.db2.gz LAICNDVZKKACEY-VXGBXAGGSA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1c(F)cccc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000185737773 347212354 /nfs/dbraw/zinc/21/23/54/347212354.db2.gz LAICNDVZKKACEY-NEPJUHHUSA-N 0 0 232.302 3.628 20 30 BHEDRN C#CCC(C)(C)C(=O)Nc1cccc(C)c1Cl ZINC000185742853 353838027 /nfs/dbraw/zinc/83/80/27/353838027.db2.gz OXWCNACVLLVNGF-UHFFFAOYSA-N 0 0 249.741 3.636 20 30 BHEDRN CC#CCCCC(=O)Nc1cccc(C)c1Cl ZINC000185742885 353838199 /nfs/dbraw/zinc/83/81/99/353838199.db2.gz APXXXXMRVZWALZ-UHFFFAOYSA-N 0 0 249.741 3.781 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cccc(F)c1C ZINC000185743855 133671849 /nfs/dbraw/zinc/67/18/49/133671849.db2.gz WODMNQVCXLLKCV-JTQLQIEISA-N 0 0 235.302 3.675 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cccc(F)c1C ZINC000185743875 353838124 /nfs/dbraw/zinc/83/81/24/353838124.db2.gz WODMNQVCXLLKCV-SNVBAGLBSA-N 0 0 235.302 3.675 20 30 BHEDRN Cc1cccc(N[C@@H]2CCC[C@H](C#N)C2)c1F ZINC000185752054 347212218 /nfs/dbraw/zinc/21/22/18/347212218.db2.gz MOMWDUCHGQJQBD-NWDGAFQWSA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1cccc(N[C@H]2CCC[C@H](C#N)C2)c1F ZINC000185752073 347212344 /nfs/dbraw/zinc/21/23/44/347212344.db2.gz MOMWDUCHGQJQBD-RYUDHWBXSA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1cccc(N[C@@H]2CCC[C@@H](C#N)C2)c1F ZINC000185752092 134933037 /nfs/dbraw/zinc/93/30/37/134933037.db2.gz MOMWDUCHGQJQBD-VXGBXAGGSA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1cccc(N[C@H]2CCC[C@@H](C#N)C2)c1F ZINC000185752111 134932990 /nfs/dbraw/zinc/93/29/90/134932990.db2.gz MOMWDUCHGQJQBD-NEPJUHHUSA-N 0 0 232.302 3.628 20 30 BHEDRN C=CCCC(=O)Nc1ccc2occ(C)c2c1 ZINC000185770875 534627461 /nfs/dbraw/zinc/62/74/61/534627461.db2.gz IGLXHMOZWGGTOU-UHFFFAOYSA-N 0 0 229.279 3.646 20 30 BHEDRN CC#CCCCC(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000185773702 388591181 /nfs/dbraw/zinc/59/11/81/388591181.db2.gz VZVZJSQPGXCCJC-UONOGXRCSA-N 0 0 249.398 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000185773723 388591094 /nfs/dbraw/zinc/59/10/94/388591094.db2.gz VZVZJSQPGXCCJC-KBPBESRZSA-N 0 0 249.398 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000185773739 388591244 /nfs/dbraw/zinc/59/12/44/388591244.db2.gz VZVZJSQPGXCCJC-ZIAGYGMSSA-N 0 0 249.398 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000185773763 388591097 /nfs/dbraw/zinc/59/10/97/388591097.db2.gz VZVZJSQPGXCCJC-KGLIPLIRSA-N 0 0 249.398 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@H](CCC)CCCC ZINC000185777882 256857451 /nfs/dbraw/zinc/85/74/51/256857451.db2.gz NDCYFCAHQPXNNP-CQSZACIVSA-N 0 0 237.387 3.655 20 30 BHEDRN CC#CCCCC(=O)N[C@@H](CCC)CCCC ZINC000185777898 256857161 /nfs/dbraw/zinc/85/71/61/256857161.db2.gz NDCYFCAHQPXNNP-AWEZNQCLSA-N 0 0 237.387 3.655 20 30 BHEDRN N#C[C@H]1CCC[C@@H](Nc2ccc3c(c2)CCC3)C1 ZINC000185789727 347214207 /nfs/dbraw/zinc/21/42/07/347214207.db2.gz ABAARPGBKLMTBQ-SWLSCSKDSA-N 0 0 240.350 3.670 20 30 BHEDRN N#C[C@H]1CCC[C@H](Nc2ccc3c(c2)CCC3)C1 ZINC000185789747 134932289 /nfs/dbraw/zinc/93/22/89/134932289.db2.gz ABAARPGBKLMTBQ-WFASDCNBSA-N 0 0 240.350 3.670 20 30 BHEDRN N#C[C@@H]1CCC[C@@H](Nc2ccc3c(c2)CCC3)C1 ZINC000185789766 347214104 /nfs/dbraw/zinc/21/41/04/347214104.db2.gz ABAARPGBKLMTBQ-IUODEOHRSA-N 0 0 240.350 3.670 20 30 BHEDRN N#C[C@@H]1CCC[C@H](Nc2ccc3c(c2)CCC3)C1 ZINC000185789786 347214458 /nfs/dbraw/zinc/21/44/58/347214458.db2.gz ABAARPGBKLMTBQ-DOMZBBRYSA-N 0 0 240.350 3.670 20 30 BHEDRN CC#CCCCC(=O)N(C)C1CCC(C)(C)CC1 ZINC000185821869 256858189 /nfs/dbraw/zinc/85/81/89/256858189.db2.gz INVKLODCKJUSGX-UHFFFAOYSA-N 0 0 249.398 3.607 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCC1(CC(C)C)CC1 ZINC000185827705 388592422 /nfs/dbraw/zinc/59/24/22/388592422.db2.gz XZSDXQVHKYLARM-ZDUSSCGKSA-N 0 0 237.387 3.531 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCC1(CC(C)C)CC1 ZINC000185827726 388591749 /nfs/dbraw/zinc/59/17/49/388591749.db2.gz XZSDXQVHKYLARM-CYBMUJFWSA-N 0 0 237.387 3.531 20 30 BHEDRN C=CCCC(=O)Nc1cccc(C(C)(C)C)c1O ZINC000185828545 388591780 /nfs/dbraw/zinc/59/17/80/388591780.db2.gz VNDBIUZZONQIMA-UHFFFAOYSA-N 0 0 247.338 3.594 20 30 BHEDRN CC#CCCCC(=O)NCC1(CC(C)C)CCC1 ZINC000185828755 388592263 /nfs/dbraw/zinc/59/22/63/388592263.db2.gz IHPFJJNDZDVXMY-UHFFFAOYSA-N 0 0 249.398 3.513 20 30 BHEDRN CC#CCCCC(=O)N[C@@H](CCCC)C1CCC1 ZINC000185831148 388592042 /nfs/dbraw/zinc/59/20/42/388592042.db2.gz FOCLQDRDFAFTAB-HNNXBMFYSA-N 0 0 249.398 3.655 20 30 BHEDRN CC#CCCCC(=O)N[C@H](CCCC)C1CCC1 ZINC000185831157 388591823 /nfs/dbraw/zinc/59/18/23/388591823.db2.gz FOCLQDRDFAFTAB-OAHLLOKOSA-N 0 0 249.398 3.655 20 30 BHEDRN C=CCCCC(=O)Nc1cc(C)c(O)c(C)c1C ZINC000185832373 398269373 /nfs/dbraw/zinc/26/93/73/398269373.db2.gz FWMMKNCMUPYBNR-UHFFFAOYSA-N 0 0 247.338 3.612 20 30 BHEDRN C=CC1CCN(C(=O)C2(CC)CCCCC2)CC1 ZINC000185835843 388591952 /nfs/dbraw/zinc/59/19/52/388591952.db2.gz SFQVFEGQLWIDJC-UHFFFAOYSA-N 0 0 249.398 3.772 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H](CCC)C1 ZINC000185835845 388592124 /nfs/dbraw/zinc/59/21/24/388592124.db2.gz SAXSGZNPUOSPKX-UONOGXRCSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@H](CCC)C1 ZINC000185835862 388592224 /nfs/dbraw/zinc/59/22/24/388592224.db2.gz SAXSGZNPUOSPKX-KBPBESRZSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H](CCC)C1 ZINC000185835880 388592079 /nfs/dbraw/zinc/59/20/79/388592079.db2.gz SAXSGZNPUOSPKX-ZIAGYGMSSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H](CCC)C1 ZINC000185835900 388591607 /nfs/dbraw/zinc/59/16/07/388591607.db2.gz SAXSGZNPUOSPKX-KGLIPLIRSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000185836670 388591686 /nfs/dbraw/zinc/59/16/86/388591686.db2.gz YCHAEMPCNJNWOY-QWHCGFSZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@@H]1CCCCC1(C)C ZINC000185836689 388592340 /nfs/dbraw/zinc/59/23/40/388592340.db2.gz YCHAEMPCNJNWOY-CHWSQXEVSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCCC1(C)C ZINC000185836707 388591611 /nfs/dbraw/zinc/59/16/11/388591611.db2.gz YCHAEMPCNJNWOY-STQMWFEESA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@H]1CCCCC1(C)C ZINC000185836727 256858480 /nfs/dbraw/zinc/85/84/80/256858480.db2.gz YCHAEMPCNJNWOY-OLZOCXBDSA-N 0 0 237.387 3.674 20 30 BHEDRN CC#CCCCC(=O)N(C)[C@H]1CCCC[C@H]1CC ZINC000185840010 388592442 /nfs/dbraw/zinc/59/24/42/388592442.db2.gz DXAGUMCYRNFAOT-CABCVRRESA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N(C)[C@H]1CCCC[C@@H]1CC ZINC000185840029 388591701 /nfs/dbraw/zinc/59/17/01/388591701.db2.gz DXAGUMCYRNFAOT-GJZGRUSLSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1CC ZINC000185840048 388592468 /nfs/dbraw/zinc/59/24/68/388592468.db2.gz DXAGUMCYRNFAOT-HUUCEWRRSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1CC ZINC000185840067 256857981 /nfs/dbraw/zinc/85/79/81/256857981.db2.gz DXAGUMCYRNFAOT-LSDHHAIUSA-N 0 0 249.398 3.607 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCC1(CCC)CCC1 ZINC000185841909 388592404 /nfs/dbraw/zinc/59/24/04/388592404.db2.gz WFKAZENWIJHOCA-ZDUSSCGKSA-N 0 0 237.387 3.675 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCC1(CCC)CCC1 ZINC000185841927 388591996 /nfs/dbraw/zinc/59/19/96/388591996.db2.gz WFKAZENWIJHOCA-CYBMUJFWSA-N 0 0 237.387 3.675 20 30 BHEDRN CC#CCCCC(=O)NCC(CC)(CC)CC ZINC000185844803 388591597 /nfs/dbraw/zinc/59/15/97/388591597.db2.gz RCZPAMSTNYLTNZ-UHFFFAOYSA-N 0 0 237.387 3.513 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCC1(CC)CCCC1 ZINC000185857070 398091619 /nfs/dbraw/zinc/09/16/19/398091619.db2.gz ITYHXTZTDATDPC-ZDUSSCGKSA-N 0 0 237.387 3.675 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCC1(CC)CCCC1 ZINC000185857090 388593081 /nfs/dbraw/zinc/59/30/81/388593081.db2.gz ITYHXTZTDATDPC-CYBMUJFWSA-N 0 0 237.387 3.675 20 30 BHEDRN C#CCC(C)(C)C(=O)Nc1cc(C)ccc1Cl ZINC000185865519 353859228 /nfs/dbraw/zinc/85/92/28/353859228.db2.gz HLBPREGHNNHIEV-UHFFFAOYSA-N 0 0 249.741 3.636 20 30 BHEDRN CC#CCCCC(=O)Nc1cc(C)ccc1Cl ZINC000185865546 133674400 /nfs/dbraw/zinc/67/44/00/133674400.db2.gz WQENKQHXWKDJQT-UHFFFAOYSA-N 0 0 249.741 3.781 20 30 BHEDRN CC#CCCCC(=O)NC1CCC(C(C)C)CC1 ZINC000185870585 388592945 /nfs/dbraw/zinc/59/29/45/388592945.db2.gz ZUGSKJFINBBWTP-UHFFFAOYSA-N 0 0 249.398 3.511 20 30 BHEDRN C=CCCCN(C)C(=O)C1(CC)CCCCC1 ZINC000185882853 388592883 /nfs/dbraw/zinc/59/28/83/388592883.db2.gz VNGAQXPQWYEXRK-UHFFFAOYSA-N 0 0 237.387 3.772 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@@H]1CCC(C)C ZINC000185889279 388593008 /nfs/dbraw/zinc/59/30/08/388593008.db2.gz ZWRRSZIJEHSCOC-OAHLLOKOSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@H]1CCC(C)C ZINC000185889298 388592153 /nfs/dbraw/zinc/59/21/53/388592153.db2.gz ZWRRSZIJEHSCOC-HNNXBMFYSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@H]1[C@H](C)CCC ZINC000185889497 398092304 /nfs/dbraw/zinc/09/23/04/398092304.db2.gz LKLJJLBARYZSPF-CABCVRRESA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@H]1[C@@H](C)CCC ZINC000185889519 388592690 /nfs/dbraw/zinc/59/26/90/388592690.db2.gz LKLJJLBARYZSPF-GJZGRUSLSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@@H]1[C@H](C)CCC ZINC000185889534 388592653 /nfs/dbraw/zinc/59/26/53/388592653.db2.gz LKLJJLBARYZSPF-HUUCEWRRSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@@H]1[C@@H](C)CCC ZINC000185889557 388592953 /nfs/dbraw/zinc/59/29/53/388592953.db2.gz LKLJJLBARYZSPF-LSDHHAIUSA-N 0 0 249.398 3.607 20 30 BHEDRN CCC(C)(CC)C(=O)Nc1cccc(C#N)c1C ZINC000185901347 386752517 /nfs/dbraw/zinc/75/25/17/386752517.db2.gz BDAOGQKGCVSXJK-UHFFFAOYSA-N 0 0 244.338 3.632 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cc(C)cc(F)c1 ZINC000185901803 256859068 /nfs/dbraw/zinc/85/90/68/256859068.db2.gz DALUIHFQGZSMBL-NSHDSACASA-N 0 0 235.302 3.675 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cc(C)cc(F)c1 ZINC000185901824 256859322 /nfs/dbraw/zinc/85/93/22/256859322.db2.gz DALUIHFQGZSMBL-LLVKDONJSA-N 0 0 235.302 3.675 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@@H](C)[C@H]1CCC ZINC000185925646 388593962 /nfs/dbraw/zinc/59/39/62/388593962.db2.gz UAKJLLVVGMQTBW-HUUCEWRRSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@@H](C)[C@@H]1CCC ZINC000185925665 388593514 /nfs/dbraw/zinc/59/35/14/388593514.db2.gz UAKJLLVVGMQTBW-CABCVRRESA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@H](C)[C@H]1CCC ZINC000185925686 256860221 /nfs/dbraw/zinc/86/02/21/256860221.db2.gz UAKJLLVVGMQTBW-LSDHHAIUSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@H](C)[C@@H]1CCC ZINC000185925704 388593658 /nfs/dbraw/zinc/59/36/58/388593658.db2.gz UAKJLLVVGMQTBW-GJZGRUSLSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)O[C@@H](C)c1cccc(F)c1 ZINC000185927861 643414523 /nfs/dbraw/zinc/41/45/23/643414523.db2.gz WMYDTYOZCZCAEN-LBPRGKRZSA-N 0 0 248.297 3.624 20 30 BHEDRN CC#CCCCC(=O)O[C@H](C)c1cccc(F)c1 ZINC000185927877 643414087 /nfs/dbraw/zinc/41/40/87/643414087.db2.gz WMYDTYOZCZCAEN-GFCCVEGCSA-N 0 0 248.297 3.624 20 30 BHEDRN CC#CCCCC(=O)NCC(C)(C)C1CCCC1 ZINC000185932689 256860064 /nfs/dbraw/zinc/86/00/64/256860064.db2.gz JLBIKARCBAJETR-UHFFFAOYSA-N 0 0 249.398 3.513 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000185949100 256859900 /nfs/dbraw/zinc/85/99/00/256859900.db2.gz GQPIGJBJZPVROV-RRFJBIMHSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000185949114 388594689 /nfs/dbraw/zinc/59/46/89/388594689.db2.gz GQPIGJBJZPVROV-RBSFLKMASA-N 0 0 249.398 3.770 20 30 BHEDRN C#CCC(C)(C)C(=O)N[C@H](CCC)CCCC ZINC000185976050 643418560 /nfs/dbraw/zinc/41/85/60/643418560.db2.gz ALZSWLKOXCULNO-CYBMUJFWSA-N 0 0 237.387 3.511 20 30 BHEDRN C#CCC(C)(C)C(=O)N[C@@H](CCC)CCCC ZINC000185976069 643419006 /nfs/dbraw/zinc/41/90/06/643419006.db2.gz ALZSWLKOXCULNO-ZDUSSCGKSA-N 0 0 237.387 3.511 20 30 BHEDRN C[C@@H]1CCCN(CCCC#N)c2ccccc21 ZINC000185981074 346338675 /nfs/dbraw/zinc/33/86/75/346338675.db2.gz UCIQCQCUTFXODD-CYBMUJFWSA-N 0 0 228.339 3.694 20 30 BHEDRN C[C@H]1CCCN(CCCC#N)c2ccccc21 ZINC000185981096 346338962 /nfs/dbraw/zinc/33/89/62/346338962.db2.gz UCIQCQCUTFXODD-ZDUSSCGKSA-N 0 0 228.339 3.694 20 30 BHEDRN C#CCCCCC(=O)NCCC1=CCCCCC1 ZINC000185989270 353862902 /nfs/dbraw/zinc/86/29/02/353862902.db2.gz AEGHZEUYBITLEK-UHFFFAOYSA-N 0 0 247.382 3.577 20 30 BHEDRN C=CCC[C@H](C(=O)NCC(C)C)c1ccccc1 ZINC000185994828 388595517 /nfs/dbraw/zinc/59/55/17/388595517.db2.gz PDVCGGBACLJZJZ-HNNXBMFYSA-N 0 0 245.366 3.509 20 30 BHEDRN C=CCC[C@@H](C(=O)NCC(C)C)c1ccccc1 ZINC000185994847 388595862 /nfs/dbraw/zinc/59/58/62/388595862.db2.gz PDVCGGBACLJZJZ-OAHLLOKOSA-N 0 0 245.366 3.509 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cccc(C)c1F ZINC000186006861 353864075 /nfs/dbraw/zinc/86/40/75/353864075.db2.gz WDCQZQLELZSVHJ-NSHDSACASA-N 0 0 235.302 3.675 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cccc(C)c1F ZINC000186006880 353863330 /nfs/dbraw/zinc/86/33/30/353863330.db2.gz WDCQZQLELZSVHJ-LLVKDONJSA-N 0 0 235.302 3.675 20 30 BHEDRN C=CC[C@H](C(=O)NC(CC)CC)c1ccccc1 ZINC000186009037 353864025 /nfs/dbraw/zinc/86/40/25/353864025.db2.gz YKNWRSXGOPPNIH-HNNXBMFYSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@@H](C(=O)NC(CC)CC)c1ccccc1 ZINC000186009052 133675086 /nfs/dbraw/zinc/67/50/86/133675086.db2.gz YKNWRSXGOPPNIH-OAHLLOKOSA-N 0 0 245.366 3.651 20 30 BHEDRN C#CCC(C)(C)C(=O)NCC1(C)CCCCCC1 ZINC000186009854 643424028 /nfs/dbraw/zinc/42/40/28/643424028.db2.gz JMYILXVTFXEWBV-UHFFFAOYSA-N 0 0 249.398 3.513 20 30 BHEDRN C=CCCCC(=O)NCCC1=CCCCCC1 ZINC000186016512 256861824 /nfs/dbraw/zinc/86/18/24/256861824.db2.gz HUXPRVOUAPGNDE-UHFFFAOYSA-N 0 0 235.371 3.740 20 30 BHEDRN C#CCC(C)(C)C(=O)Nc1ccc(C)c(CC)c1 ZINC000186020061 643426147 /nfs/dbraw/zinc/42/61/47/643426147.db2.gz UOXMTAZBHOTGDK-UHFFFAOYSA-N 0 0 243.350 3.545 20 30 BHEDRN CC#CCCCC(=O)N1CCCC[C@@H]1CC(C)C ZINC000186025333 388596656 /nfs/dbraw/zinc/59/66/56/388596656.db2.gz VMMPVPCJCODISE-OAHLLOKOSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCCC[C@H]1CC(C)C ZINC000186025354 256861951 /nfs/dbraw/zinc/86/19/51/256861951.db2.gz VMMPVPCJCODISE-HNNXBMFYSA-N 0 0 249.398 3.607 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 ZINC000186034874 256862203 /nfs/dbraw/zinc/86/22/03/256862203.db2.gz JSRXYHJRXWPJJI-XQLPTFJDSA-N 0 0 249.398 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 ZINC000186034910 388596479 /nfs/dbraw/zinc/59/64/79/388596479.db2.gz JSRXYHJRXWPJJI-BYNSBNAKSA-N 0 0 249.398 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCCC[C@H]1CCC ZINC000186052231 388597439 /nfs/dbraw/zinc/59/74/39/388597439.db2.gz ITWKWHQAZLNVII-UONOGXRCSA-N 0 0 237.387 3.770 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCCC[C@@H]1CCC ZINC000186052247 388598031 /nfs/dbraw/zinc/59/80/31/388598031.db2.gz ITWKWHQAZLNVII-KBPBESRZSA-N 0 0 237.387 3.770 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@H]1CCC ZINC000186052263 388598003 /nfs/dbraw/zinc/59/80/03/388598003.db2.gz ITWKWHQAZLNVII-ZIAGYGMSSA-N 0 0 237.387 3.770 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCCC[C@@H]1CCC ZINC000186052278 256861771 /nfs/dbraw/zinc/86/17/71/256861771.db2.gz ITWKWHQAZLNVII-KGLIPLIRSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCCCC(=O)Nc1ccccc1CSC ZINC000186068201 534669270 /nfs/dbraw/zinc/66/92/70/534669270.db2.gz COUGBZHIEFPANN-UHFFFAOYSA-N 0 0 249.379 3.844 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCCC1=CCCCCC1 ZINC000186074197 388597933 /nfs/dbraw/zinc/59/79/33/388597933.db2.gz PFQJODILAIEWPG-AWEZNQCLSA-N 0 0 249.398 3.986 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCCC1=CCCCCC1 ZINC000186074215 388598148 /nfs/dbraw/zinc/59/81/48/388598148.db2.gz PFQJODILAIEWPG-CQSZACIVSA-N 0 0 249.398 3.986 20 30 BHEDRN CC#CCCCC(=O)NCCC1=CCCCCC1 ZINC000186074264 388597896 /nfs/dbraw/zinc/59/78/96/388597896.db2.gz JSNMTQLYGFLWGQ-UHFFFAOYSA-N 0 0 247.382 3.577 20 30 BHEDRN Cc1cc(C#N)ccc1CSCCOC(C)C ZINC000186082788 387509792 /nfs/dbraw/zinc/50/97/92/387509792.db2.gz XFVHQYWLUDEBOW-UHFFFAOYSA-N 0 0 249.379 3.525 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@H]1C(C)(C)CC ZINC000186083579 388598093 /nfs/dbraw/zinc/59/80/93/388598093.db2.gz FQRBBONRRRGOAP-AWEZNQCLSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@@H]1C(C)(C)CC ZINC000186083596 388597670 /nfs/dbraw/zinc/59/76/70/388597670.db2.gz FQRBBONRRRGOAP-CQSZACIVSA-N 0 0 249.398 3.607 20 30 BHEDRN C=C(C)CSCc1ccc(C#N)cc1C ZINC000186084245 387510828 /nfs/dbraw/zinc/51/08/28/387510828.db2.gz FXXTVUWSQWKGRM-UHFFFAOYSA-N 0 0 217.337 3.676 20 30 BHEDRN Cc1cc(C#N)ccc1CSCC1CC1 ZINC000186084675 387509832 /nfs/dbraw/zinc/50/98/32/387509832.db2.gz RTCDBUIKNXNDNZ-UHFFFAOYSA-N 0 0 217.337 3.510 20 30 BHEDRN C[C@H](c1cccc(C#N)c1)[N@@H+]1CCCC(C)(C)C1 ZINC000186113730 387513238 /nfs/dbraw/zinc/51/32/38/387513238.db2.gz XVTIMABSJOEAKG-CYBMUJFWSA-N 0 0 242.366 3.741 20 30 BHEDRN CC#CCCCC(=O)O[C@@H](C)c1ccccc1F ZINC000186127626 643451687 /nfs/dbraw/zinc/45/16/87/643451687.db2.gz CRGJKJCATSMRQE-LBPRGKRZSA-N 0 0 248.297 3.624 20 30 BHEDRN CC#CCCCC(=O)O[C@H](C)c1ccccc1F ZINC000186127643 643450254 /nfs/dbraw/zinc/45/02/54/643450254.db2.gz CRGJKJCATSMRQE-GFCCVEGCSA-N 0 0 248.297 3.624 20 30 BHEDRN CCCSCc1ccc(C#N)cc1C ZINC000186129298 387514681 /nfs/dbraw/zinc/51/46/81/387514681.db2.gz QQGCZNKMIKYZLK-UHFFFAOYSA-N 0 0 205.326 3.510 20 30 BHEDRN Cc1cc(C#N)ccc1CSC(C)C ZINC000186129669 387514701 /nfs/dbraw/zinc/51/47/01/387514701.db2.gz RJWOHMKMRORLHK-UHFFFAOYSA-N 0 0 205.326 3.508 20 30 BHEDRN C=CCNc1ccc(Cl)cc1OC(F)F ZINC000186134359 323184032 /nfs/dbraw/zinc/18/40/32/323184032.db2.gz ZBRDWWDREJYSBS-UHFFFAOYSA-N 0 0 233.645 3.539 20 30 BHEDRN C=CCCCC(=O)N[C@@H]1CCCc2sccc21 ZINC000186180195 534664569 /nfs/dbraw/zinc/66/45/69/534664569.db2.gz GJIZHSPJJOJHDF-GFCCVEGCSA-N 0 0 249.379 3.598 20 30 BHEDRN C=CCCCC(=O)N[C@H]1CCCc2sccc21 ZINC000186180214 386733235 /nfs/dbraw/zinc/73/32/35/386733235.db2.gz GJIZHSPJJOJHDF-LBPRGKRZSA-N 0 0 249.379 3.598 20 30 BHEDRN CCCN(CC#N)Cc1cccc(SCC)c1 ZINC000186194949 535273668 /nfs/dbraw/zinc/27/36/68/535273668.db2.gz AGFWUJMUMYHZRW-UHFFFAOYSA-N 0 0 248.395 3.534 20 30 BHEDRN CCSc1cccc(CN(C)[C@@H](C)CC#N)c1 ZINC000186214435 347228431 /nfs/dbraw/zinc/22/84/31/347228431.db2.gz ATADYFOCBSXUEN-LBPRGKRZSA-N 0 0 248.395 3.533 20 30 BHEDRN CCSc1cccc(CN(C)[C@H](C)CC#N)c1 ZINC000186214453 347228068 /nfs/dbraw/zinc/22/80/68/347228068.db2.gz ATADYFOCBSXUEN-GFCCVEGCSA-N 0 0 248.395 3.533 20 30 BHEDRN C=CC[C@H](C)NC(=O)c1ccc(C(C)C)s1 ZINC000186247524 346499060 /nfs/dbraw/zinc/49/90/60/346499060.db2.gz QDHCHDGHTGAZLY-JTQLQIEISA-N 0 0 237.368 3.566 20 30 BHEDRN C=CC[C@@H](C)NC(=O)c1ccc(C(C)C)s1 ZINC000186247542 346499129 /nfs/dbraw/zinc/49/91/29/346499129.db2.gz QDHCHDGHTGAZLY-SNVBAGLBSA-N 0 0 237.368 3.566 20 30 BHEDRN C=CCC[C@H](C(=O)N(C)C(C)C)c1ccccc1 ZINC000186415346 133676118 /nfs/dbraw/zinc/67/61/18/133676118.db2.gz NIBRXFCJIHSWBV-HNNXBMFYSA-N 0 0 245.366 3.603 20 30 BHEDRN C=CCC[C@@H](C(=O)N(C)C(C)C)c1ccccc1 ZINC000186415364 133676175 /nfs/dbraw/zinc/67/61/75/133676175.db2.gz NIBRXFCJIHSWBV-OAHLLOKOSA-N 0 0 245.366 3.603 20 30 BHEDRN CCSc1cccc(CN[C@@H](CC)CC#N)c1 ZINC000186420076 347233421 /nfs/dbraw/zinc/23/34/21/347233421.db2.gz UIWYUXGIMNGJJF-ZDUSSCGKSA-N 0 0 248.395 3.580 20 30 BHEDRN CCSc1cccc(CN[C@H](CC)CC#N)c1 ZINC000186420094 347233661 /nfs/dbraw/zinc/23/36/61/347233661.db2.gz UIWYUXGIMNGJJF-CYBMUJFWSA-N 0 0 248.395 3.580 20 30 BHEDRN C=CC[C@H](C(=O)N(C)CCCC)c1ccccc1 ZINC000186486652 353868975 /nfs/dbraw/zinc/86/89/75/353868975.db2.gz XCFMVMNAXPLWNP-HNNXBMFYSA-N 0 0 245.366 3.605 20 30 BHEDRN C=CC[C@@H](C(=O)N(C)CCCC)c1ccccc1 ZINC000186486669 353868814 /nfs/dbraw/zinc/86/88/14/353868814.db2.gz XCFMVMNAXPLWNP-OAHLLOKOSA-N 0 0 245.366 3.605 20 30 BHEDRN C[C@@H]1CCCCN1Cc1ccc(Cl)cc1C#N ZINC000186562058 387003486 /nfs/dbraw/zinc/00/34/86/387003486.db2.gz PFQSUTUZGCRTAB-LLVKDONJSA-N 0 0 248.757 3.586 20 30 BHEDRN C[C@H]1CCCCN1Cc1ccc(Cl)cc1C#N ZINC000186562076 387002667 /nfs/dbraw/zinc/00/26/67/387002667.db2.gz PFQSUTUZGCRTAB-NSHDSACASA-N 0 0 248.757 3.586 20 30 BHEDRN C=C(C)CN(CC)Cc1ccc(Cl)cc1C#N ZINC000186562285 398093216 /nfs/dbraw/zinc/09/32/16/398093216.db2.gz FIMGGVCXVPUGFL-UHFFFAOYSA-N 0 0 248.757 3.610 20 30 BHEDRN C[C@@H](C#N)SCCCCc1ccccc1 ZINC000186724601 384872158 /nfs/dbraw/zinc/87/21/58/384872158.db2.gz HAXVLAFUIHHDPK-LBPRGKRZSA-N 0 0 219.353 3.655 20 30 BHEDRN C[C@H](C#N)SCCCCc1ccccc1 ZINC000186724619 384873280 /nfs/dbraw/zinc/87/32/80/384873280.db2.gz HAXVLAFUIHHDPK-GFCCVEGCSA-N 0 0 219.353 3.655 20 30 BHEDRN C=CCCCSc1ccc(C(F)(F)F)nn1 ZINC000186822385 384026902 /nfs/dbraw/zinc/02/69/02/384026902.db2.gz RAGFYEQTWHQFRX-UHFFFAOYSA-N 0 0 248.273 3.554 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000186918953 256868248 /nfs/dbraw/zinc/86/82/48/256868248.db2.gz VTQIWDLGALMODP-GUTXKFCHSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@H]1C[C@]1(C)C(C)C ZINC000186918974 388604718 /nfs/dbraw/zinc/60/47/18/388604718.db2.gz VTQIWDLGALMODP-GZBFAFLISA-N 0 0 237.387 3.530 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000186918997 388604529 /nfs/dbraw/zinc/60/45/29/388604529.db2.gz VTQIWDLGALMODP-YDHLFZDLSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000186919014 388604688 /nfs/dbraw/zinc/60/46/88/388604688.db2.gz VTQIWDLGALMODP-KCQAQPDRSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C1=CCCCCC1 ZINC000186919087 346546912 /nfs/dbraw/zinc/54/69/12/346546912.db2.gz ZDGLBAVUEDRQDC-ZDUSSCGKSA-N 0 0 235.371 3.738 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C1=CCCCCC1 ZINC000186919106 346547055 /nfs/dbraw/zinc/54/70/55/346547055.db2.gz ZDGLBAVUEDRQDC-CYBMUJFWSA-N 0 0 235.371 3.738 20 30 BHEDRN C=C(Cl)CN1CCC(c2ccsc2)CC1 ZINC000186924309 643142942 /nfs/dbraw/zinc/14/29/42/643142942.db2.gz YIDDXLUDEAQGDJ-UHFFFAOYSA-N 0 0 241.787 3.680 20 30 BHEDRN CC#CCCCC(=O)Nc1ccsc1Cl ZINC000186951551 347244421 /nfs/dbraw/zinc/24/44/21/347244421.db2.gz XTAVMVRDQTYZQK-UHFFFAOYSA-N 0 0 241.743 3.534 20 30 BHEDRN CCC[N@H+](Cc1ccc(Cl)cc1C#N)C1CC1 ZINC000186953529 384095476 /nfs/dbraw/zinc/09/54/76/384095476.db2.gz PZQLRCYLESMBFS-UHFFFAOYSA-N 0 0 248.757 3.586 20 30 BHEDRN C=CCCCC(=O)Nc1ccsc1Cl ZINC000186957637 133446599 /nfs/dbraw/zinc/44/65/99/133446599.db2.gz XMEXVOZXSDYDPO-UHFFFAOYSA-N 0 0 229.732 3.696 20 30 BHEDRN CC[C@@H](C#N)Nc1cccc(C(C)(F)F)c1 ZINC000187044840 387153060 /nfs/dbraw/zinc/15/30/60/387153060.db2.gz GSDTUBRZKLKIMV-JTQLQIEISA-N 0 0 224.254 3.512 20 30 BHEDRN CC[C@H](C#N)Nc1cccc(C(C)(F)F)c1 ZINC000187044851 386251044 /nfs/dbraw/zinc/25/10/44/386251044.db2.gz GSDTUBRZKLKIMV-SNVBAGLBSA-N 0 0 224.254 3.512 20 30 BHEDRN C=CCCC[N@@H+](C)Cc1ccc(Cl)cc1C#N ZINC000187060566 388606145 /nfs/dbraw/zinc/60/61/45/388606145.db2.gz LBPHNQPWGQBOEQ-UHFFFAOYSA-N 0 0 248.757 3.610 20 30 BHEDRN C=CC[C@H](C(=O)NCC(C)(C)C)c1ccccc1 ZINC000187082207 384177423 /nfs/dbraw/zinc/17/74/23/384177423.db2.gz RMXXIYIAHYYQEB-AWEZNQCLSA-N 0 0 245.366 3.509 20 30 BHEDRN C=CC[C@@H](C(=O)NCC(C)(C)C)c1ccccc1 ZINC000187082229 384175297 /nfs/dbraw/zinc/17/52/97/384175297.db2.gz RMXXIYIAHYYQEB-CQSZACIVSA-N 0 0 245.366 3.509 20 30 BHEDRN C=CCSc1nc(-c2ccccc2)c(C)[nH]1 ZINC000187117829 256868872 /nfs/dbraw/zinc/86/88/72/256868872.db2.gz NCHYOUSOVIWWFT-UHFFFAOYSA-N 0 0 230.336 3.663 20 30 BHEDRN C[C@@H]1CC[C@H](C)N1Cc1ccc(Cl)cc1C#N ZINC000187158210 384176193 /nfs/dbraw/zinc/17/61/93/384176193.db2.gz YZONMXRUSVYKHG-PHIMTYICSA-N 0 0 248.757 3.584 20 30 BHEDRN C[C@H]1CC[C@H](C)N1Cc1ccc(Cl)cc1C#N ZINC000187158230 384176217 /nfs/dbraw/zinc/17/62/17/384176217.db2.gz YZONMXRUSVYKHG-QWRGUYRKSA-N 0 0 248.757 3.584 20 30 BHEDRN C[C@@H]1CC[C@@H](C)N1Cc1ccc(Cl)cc1C#N ZINC000187158247 384176022 /nfs/dbraw/zinc/17/60/22/384176022.db2.gz YZONMXRUSVYKHG-GHMZBOCLSA-N 0 0 248.757 3.584 20 30 BHEDRN CC#CCCOc1ccccc1-c1nccs1 ZINC000187218250 205742037 /nfs/dbraw/zinc/74/20/37/205742037.db2.gz NTDYZXAFDLRELX-UHFFFAOYSA-N 0 0 243.331 3.602 20 30 BHEDRN C=CCCOc1ccccc1-c1nccs1 ZINC000187222181 346560817 /nfs/dbraw/zinc/56/08/17/346560817.db2.gz CSUDANWKJSTZFL-UHFFFAOYSA-N 0 0 231.320 3.765 20 30 BHEDRN C=C(C)COc1ccccc1-c1nccs1 ZINC000187222976 386499618 /nfs/dbraw/zinc/49/96/18/386499618.db2.gz NGPZVMUHRVPVJE-UHFFFAOYSA-N 0 0 231.320 3.765 20 30 BHEDRN C=CCC[C@H](C(=O)N(C)CCC)c1ccccc1 ZINC000187256199 384199239 /nfs/dbraw/zinc/19/92/39/384199239.db2.gz DLZPPDQVQCXACT-HNNXBMFYSA-N 0 0 245.366 3.605 20 30 BHEDRN C=CCC[C@@H](C(=O)N(C)CCC)c1ccccc1 ZINC000187256215 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225.382 3.718 20 30 BHEDRN C=CCC(CC=C)C(=O)NCC(C)(C)C(C)C ZINC000187621607 386573859 /nfs/dbraw/zinc/57/38/59/386573859.db2.gz RKLFTGDJJRWAGO-UHFFFAOYSA-N 0 0 237.387 3.553 20 30 BHEDRN C=CC[C@H](C)[C@@H](C)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000187631510 386565353 /nfs/dbraw/zinc/56/53/53/386565353.db2.gz DTYRYAJVKJUXNX-XQQFMLRXSA-N 0 0 247.386 3.867 20 30 BHEDRN C=CC[C@H](C)[C@H](C)Nc1cnn([C@@H](C)C2CC2)c1 ZINC000187631542 386567396 /nfs/dbraw/zinc/56/73/96/386567396.db2.gz DTYRYAJVKJUXNX-AVGNSLFASA-N 0 0 247.386 3.867 20 30 BHEDRN C=C(Cl)CSCCOc1ccccc1 ZINC000187651086 631536084 /nfs/dbraw/zinc/53/60/84/631536084.db2.gz KNGZETVBUHFGNE-UHFFFAOYSA-N 0 0 228.744 3.551 20 30 BHEDRN C[C@@H](c1cccc(C#N)c1)N1Cc2ccccc2C1 ZINC000187678712 384370586 /nfs/dbraw/zinc/37/05/86/384370586.db2.gz GLKKWUDGFCRKLG-ZDUSSCGKSA-N 0 0 248.329 3.635 20 30 BHEDRN CC1(C)CC[C@H](CSc2cccc(C#N)c2)O1 ZINC000187692460 384455524 /nfs/dbraw/zinc/45/55/24/384455524.db2.gz PCEYEAJUIURGSQ-GFCCVEGCSA-N 0 0 247.363 3.608 20 30 BHEDRN CC1(C)CC[C@@H](CSc2cccc(C#N)c2)O1 ZINC000187692479 384456559 /nfs/dbraw/zinc/45/65/59/384456559.db2.gz PCEYEAJUIURGSQ-LBPRGKRZSA-N 0 0 247.363 3.608 20 30 BHEDRN N#Cc1cc(Cl)ccc1CNc1ccccc1 ZINC000187710381 384699738 /nfs/dbraw/zinc/69/97/38/384699738.db2.gz ABLQUCSQWDEJLM-UHFFFAOYSA-N 0 0 242.709 3.824 20 30 BHEDRN C=CCSc1ccnc2c(OC)cccc12 ZINC000187843868 538977210 /nfs/dbraw/zinc/97/72/10/538977210.db2.gz BZCFQNNSWYEMFB-UHFFFAOYSA-N 0 0 231.320 3.522 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(C)cc1OC ZINC000187844720 259369829 /nfs/dbraw/zinc/36/98/29/259369829.db2.gz VKVQWDKKZBZMQO-OAHLLOKOSA-N 0 0 247.338 3.544 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(C)cc1OC ZINC000187844751 259369763 /nfs/dbraw/zinc/36/97/63/259369763.db2.gz VKVQWDKKZBZMQO-HNNXBMFYSA-N 0 0 247.338 3.544 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccsc1Cl ZINC000187887446 384332697 /nfs/dbraw/zinc/33/26/97/384332697.db2.gz IJLXQHRIBOQSLA-QMMMGPOBSA-N 0 0 243.759 3.942 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccsc1Cl 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259371838 /nfs/dbraw/zinc/37/18/38/259371838.db2.gz HAEDDDPYFOOCQI-VNHYZAJKSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000187955089 259372060 /nfs/dbraw/zinc/37/20/60/259372060.db2.gz HAEDDDPYFOOCQI-KCQAQPDRSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CCC1(C(=O)N(C)CC2CCCCC2)CCC1 ZINC000187962416 259371826 /nfs/dbraw/zinc/37/18/26/259371826.db2.gz SZEIOVDBLSVZRP-UHFFFAOYSA-N 0 0 249.398 3.772 20 30 BHEDRN CCCCCCCC(=O)O[C@@H](CC)CC#N ZINC000187967120 634130256 /nfs/dbraw/zinc/13/02/56/634130256.db2.gz OPKDVZANODRENS-LBPRGKRZSA-N 0 0 225.332 3.582 20 30 BHEDRN CCCCCCCC(=O)O[C@H](CC)CC#N ZINC000187967150 641735504 /nfs/dbraw/zinc/73/55/04/641735504.db2.gz OPKDVZANODRENS-GFCCVEGCSA-N 0 0 225.332 3.582 20 30 BHEDRN C=CCC1(C(=O)NCCCC(C)(C)C)CCC1 ZINC000187967585 346662437 /nfs/dbraw/zinc/66/24/37/346662437.db2.gz VXGJRKPRIMAKCB-UHFFFAOYSA-N 0 0 237.387 3.675 20 30 BHEDRN CC[C@@H](CC#N)OC(=O)C1(C)CCCCCC1 ZINC000187975207 641739189 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LZBJMAFVCRSQHA-UHFFFAOYSA-N 0 0 249.338 3.702 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N(C)c1cccc(C)c1 ZINC000188035338 259373484 /nfs/dbraw/zinc/37/34/84/259373484.db2.gz GDSRPBNKAFSIEE-OAHLLOKOSA-N 0 0 231.339 3.560 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N(C)c1cccc(C)c1 ZINC000188035359 259373423 /nfs/dbraw/zinc/37/34/23/259373423.db2.gz GDSRPBNKAFSIEE-HNNXBMFYSA-N 0 0 231.339 3.560 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(OC)cc1C ZINC000188036189 384356336 /nfs/dbraw/zinc/35/63/36/384356336.db2.gz IYBLAINDBHVCSX-OAHLLOKOSA-N 0 0 247.338 3.544 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(OC)cc1C ZINC000188036212 385007078 /nfs/dbraw/zinc/00/70/78/385007078.db2.gz IYBLAINDBHVCSX-HNNXBMFYSA-N 0 0 247.338 3.544 20 30 BHEDRN O=C(/C=C/c1cocn1)c1ccc2ccccc2c1 ZINC000188038215 641742690 /nfs/dbraw/zinc/74/26/90/641742690.db2.gz ZCXDZIMURTUQHN-BQYQJAHWSA-N 0 0 249.269 3.724 20 30 BHEDRN C=CCC1(C(=O)N[C@@H](C)C2CCCCC2)CCC1 ZINC000188045424 259373540 /nfs/dbraw/zinc/37/35/40/259373540.db2.gz KUTIKHAVTJVMQI-ZDUSSCGKSA-N 0 0 249.398 3.818 20 30 BHEDRN C=CCC1(C(=O)N[C@H](C)C2CCCCC2)CCC1 ZINC000188045442 259373554 /nfs/dbraw/zinc/37/35/54/259373554.db2.gz KUTIKHAVTJVMQI-CYBMUJFWSA-N 0 0 249.398 3.818 20 30 BHEDRN C=CCC1(C(=O)NC2CCC(C)(C)CC2)CCC1 ZINC000188052275 387245845 /nfs/dbraw/zinc/24/58/45/387245845.db2.gz SNEBXAQUDUIYRC-UHFFFAOYSA-N 0 0 249.398 3.818 20 30 BHEDRN N#Cc1cccc(SCC#Cc2ccccc2)c1 ZINC000188065874 259373514 /nfs/dbraw/zinc/37/35/14/259373514.db2.gz UVLBYTAIZIJTBZ-UHFFFAOYSA-N 0 0 249.338 3.702 20 30 BHEDRN C=CCC1(C(=O)N2CCCC(C)(C)CC2)CCC1 ZINC000188091269 384359969 /nfs/dbraw/zinc/35/99/69/384359969.db2.gz FBDGJJVFHDAMDX-UHFFFAOYSA-N 0 0 249.398 3.772 20 30 BHEDRN Cc1occc1SCc1ccc(C#N)c(F)c1 ZINC000188153835 384820216 /nfs/dbraw/zinc/82/02/16/384820216.db2.gz ONRFNDDAOMYRTM-UHFFFAOYSA-N 0 0 247.294 3.891 20 30 BHEDRN CCSCCSCC#Cc1ccccc1 ZINC000188183693 641746859 /nfs/dbraw/zinc/74/68/59/641746859.db2.gz UKCCLXDTZKQSAU-UHFFFAOYSA-N 0 0 236.405 3.524 20 30 BHEDRN C[C@@H](CCC#N)Sc1ccc(F)cc1 ZINC000188187294 347275051 /nfs/dbraw/zinc/27/50/51/347275051.db2.gz JFWRCDXVSSOHAV-VIFPVBQESA-N 0 0 209.289 3.610 20 30 BHEDRN C[C@H](CCC#N)Sc1ccc(F)cc1 ZINC000188187316 347274941 /nfs/dbraw/zinc/27/49/41/347274941.db2.gz JFWRCDXVSSOHAV-SECBINFHSA-N 0 0 209.289 3.610 20 30 BHEDRN C[C@@H](CCC#N)Sc1ccccc1F ZINC000188193284 134939778 /nfs/dbraw/zinc/93/97/78/134939778.db2.gz BNDCSWBPLVCPPQ-VIFPVBQESA-N 0 0 209.289 3.610 20 30 BHEDRN C[C@H](CCC#N)Sc1ccccc1F ZINC000188193306 134939986 /nfs/dbraw/zinc/93/99/86/134939986.db2.gz BNDCSWBPLVCPPQ-SECBINFHSA-N 0 0 209.289 3.610 20 30 BHEDRN Cc1ccccc1CS[C@@H](C)CCC#N ZINC000188197414 347275179 /nfs/dbraw/zinc/27/51/79/347275179.db2.gz FEXSCARLMSWTES-LBPRGKRZSA-N 0 0 219.353 3.921 20 30 BHEDRN Cc1ccccc1CS[C@H](C)CCC#N ZINC000188197434 134939893 /nfs/dbraw/zinc/93/98/93/134939893.db2.gz FEXSCARLMSWTES-GFCCVEGCSA-N 0 0 219.353 3.921 20 30 BHEDRN C[C@@H](CCC#N)Sc1nc2ccccc2o1 ZINC000188206137 347275089 /nfs/dbraw/zinc/27/50/89/347275089.db2.gz LTANBCCSHYYRFW-VIFPVBQESA-N 0 0 232.308 3.612 20 30 BHEDRN C[C@H](CCC#N)Sc1nc2ccccc2o1 ZINC000188206162 347275167 /nfs/dbraw/zinc/27/51/67/347275167.db2.gz LTANBCCSHYYRFW-SECBINFHSA-N 0 0 232.308 3.612 20 30 BHEDRN Cc1ccc2[nH]c(S[C@@H](C)CCC#N)nc2c1 ZINC000188208551 347275176 /nfs/dbraw/zinc/27/51/76/347275176.db2.gz AOAMCCWGPFTNDI-JTQLQIEISA-N 0 0 245.351 3.656 20 30 BHEDRN Cc1ccc2[nH]c(S[C@H](C)CCC#N)nc2c1 ZINC000188208573 347274955 /nfs/dbraw/zinc/27/49/55/347274955.db2.gz AOAMCCWGPFTNDI-SNVBAGLBSA-N 0 0 245.351 3.656 20 30 BHEDRN C[C@@H](CCC#N)SCc1ccccc1 ZINC000188210417 347275081 /nfs/dbraw/zinc/27/50/81/347275081.db2.gz ZZGAAPPWDFYMRN-NSHDSACASA-N 0 0 205.326 3.612 20 30 BHEDRN C[C@H](CCC#N)SCc1ccccc1 ZINC000188210441 347274982 /nfs/dbraw/zinc/27/49/82/347274982.db2.gz ZZGAAPPWDFYMRN-LLVKDONJSA-N 0 0 205.326 3.612 20 30 BHEDRN Cc1ccc(S[C@@H](C)CCC#N)cc1 ZINC000188210891 347275201 /nfs/dbraw/zinc/27/52/01/347275201.db2.gz PYEGFGVDUNWDLQ-NSHDSACASA-N 0 0 205.326 3.779 20 30 BHEDRN Cc1ccc(S[C@H](C)CCC#N)cc1 ZINC000188210916 347275125 /nfs/dbraw/zinc/27/51/25/347275125.db2.gz PYEGFGVDUNWDLQ-LLVKDONJSA-N 0 0 205.326 3.779 20 30 BHEDRN C=CCC1(C(=O)N2CCC(C(C)C)CC2)CCC1 ZINC000188213525 385669388 /nfs/dbraw/zinc/66/93/88/385669388.db2.gz HXXODPLYQIYATL-UHFFFAOYSA-N 0 0 249.398 3.627 20 30 BHEDRN C[C@@H](CCC#N)Sc1ccc(F)c(F)c1 ZINC000188269604 347276667 /nfs/dbraw/zinc/27/66/67/347276667.db2.gz JZOUSLMXYBEILF-QMMMGPOBSA-N 0 0 227.279 3.749 20 30 BHEDRN C[C@H](CCC#N)Sc1ccc(F)c(F)c1 ZINC000188269630 347276540 /nfs/dbraw/zinc/27/65/40/347276540.db2.gz JZOUSLMXYBEILF-MRVPVSSYSA-N 0 0 227.279 3.749 20 30 BHEDRN CC[C@@H](C#N)SCc1ccccc1Cl ZINC000188276511 134511969 /nfs/dbraw/zinc/51/19/69/134511969.db2.gz MGWBUXSBJOZTGY-JTQLQIEISA-N 0 0 225.744 3.875 20 30 BHEDRN CC[C@H](C#N)SCc1ccccc1Cl ZINC000188276536 353131839 /nfs/dbraw/zinc/13/18/39/353131839.db2.gz MGWBUXSBJOZTGY-SNVBAGLBSA-N 0 0 225.744 3.875 20 30 BHEDRN C[C@@H](CCC#N)Sc1ncccc1Cl ZINC000188285855 323090752 /nfs/dbraw/zinc/09/07/52/323090752.db2.gz FCAGUVWRBVPNDN-QMMMGPOBSA-N 0 0 226.732 3.519 20 30 BHEDRN C[C@H](CCC#N)Sc1ncccc1Cl ZINC000188285879 259382217 /nfs/dbraw/zinc/38/22/17/259382217.db2.gz FCAGUVWRBVPNDN-MRVPVSSYSA-N 0 0 226.732 3.519 20 30 BHEDRN C=CCC1(C(=O)N[C@H](C)C[C@H](C)CC)CCC1 ZINC000188287889 323090806 /nfs/dbraw/zinc/09/08/06/323090806.db2.gz BCVYRGFUVFORGY-CHWSQXEVSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCC1(C(=O)N[C@H](C)C[C@@H](C)CC)CCC1 ZINC000188287913 323090799 /nfs/dbraw/zinc/09/07/99/323090799.db2.gz BCVYRGFUVFORGY-QWHCGFSZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCC1(C(=O)N[C@@H](C)C[C@H](C)CC)CCC1 ZINC000188287940 323090724 /nfs/dbraw/zinc/09/07/24/323090724.db2.gz BCVYRGFUVFORGY-OLZOCXBDSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCC1(C(=O)N[C@@H](C)C[C@@H](C)CC)CCC1 ZINC000188287963 323090795 /nfs/dbraw/zinc/09/07/95/323090795.db2.gz BCVYRGFUVFORGY-STQMWFEESA-N 0 0 237.387 3.674 20 30 BHEDRN Cc1ccccc1S[C@@H](C)CCC#N ZINC000188300637 347277488 /nfs/dbraw/zinc/27/74/88/347277488.db2.gz WKKMRTJTNRLZAY-NSHDSACASA-N 0 0 205.326 3.779 20 30 BHEDRN Cc1ccccc1S[C@H](C)CCC#N ZINC000188300655 385034523 /nfs/dbraw/zinc/03/45/23/385034523.db2.gz WKKMRTJTNRLZAY-LLVKDONJSA-N 0 0 205.326 3.779 20 30 BHEDRN Cc1cccc(S[C@@H](C)CCC#N)c1 ZINC000188304037 347277319 /nfs/dbraw/zinc/27/73/19/347277319.db2.gz BOSXZOSLDLSFKC-NSHDSACASA-N 0 0 205.326 3.779 20 30 BHEDRN Cc1cccc(S[C@H](C)CCC#N)c1 ZINC000188304060 134941107 /nfs/dbraw/zinc/94/11/07/134941107.db2.gz BOSXZOSLDLSFKC-LLVKDONJSA-N 0 0 205.326 3.779 20 30 BHEDRN COc1cccc(CS[C@@H](C)CCC#N)c1 ZINC000188305296 323090801 /nfs/dbraw/zinc/09/08/01/323090801.db2.gz GNZUMMMMEQEEMM-NSHDSACASA-N 0 0 235.352 3.621 20 30 BHEDRN COc1cccc(CS[C@H](C)CCC#N)c1 ZINC000188305321 323090774 /nfs/dbraw/zinc/09/07/74/323090774.db2.gz GNZUMMMMEQEEMM-LLVKDONJSA-N 0 0 235.352 3.621 20 30 BHEDRN Cc1coc(S[C@@H](C)c2cccc(C#N)c2)n1 ZINC000188324252 384923980 /nfs/dbraw/zinc/92/39/80/384923980.db2.gz FGTRLTFLWOXWBZ-JTQLQIEISA-N 0 0 244.319 3.708 20 30 BHEDRN Cc1coc(S[C@H](C)c2cccc(C#N)c2)n1 ZINC000188324280 259404370 /nfs/dbraw/zinc/40/43/70/259404370.db2.gz FGTRLTFLWOXWBZ-SNVBAGLBSA-N 0 0 244.319 3.708 20 30 BHEDRN COc1ccc(C)cc1CS[C@@H](C)CCC#N ZINC000188324398 397882137 /nfs/dbraw/zinc/88/21/37/397882137.db2.gz VJXUYWDSTDCLBX-LBPRGKRZSA-N 0 0 249.379 3.929 20 30 BHEDRN COc1ccc(C)cc1CS[C@H](C)CCC#N ZINC000188324426 397882110 /nfs/dbraw/zinc/88/21/10/397882110.db2.gz VJXUYWDSTDCLBX-GFCCVEGCSA-N 0 0 249.379 3.929 20 30 BHEDRN C[C@@H](CCC#N)Sc1ncc(C(C)(C)C)o1 ZINC000188326228 134940678 /nfs/dbraw/zinc/94/06/78/134940678.db2.gz ALRWAVWIVTVTBS-VIFPVBQESA-N 0 0 238.356 3.756 20 30 BHEDRN C[C@H](CCC#N)Sc1ncc(C(C)(C)C)o1 ZINC000188326247 134940366 /nfs/dbraw/zinc/94/03/66/134940366.db2.gz ALRWAVWIVTVTBS-SECBINFHSA-N 0 0 238.356 3.756 20 30 BHEDRN Cc1coc(S[C@@H](C#N)C2CCCCC2)n1 ZINC000188363183 347278632 /nfs/dbraw/zinc/27/86/32/347278632.db2.gz QSERAFFTVBVREQ-NSHDSACASA-N 0 0 236.340 3.548 20 30 BHEDRN Cc1coc(S[C@H](C#N)C2CCCCC2)n1 ZINC000188363206 134940458 /nfs/dbraw/zinc/94/04/58/134940458.db2.gz QSERAFFTVBVREQ-LLVKDONJSA-N 0 0 236.340 3.548 20 30 BHEDRN Cc1coc(S[C@@H](C)c2ccc(C#N)cc2)n1 ZINC000188385219 346806592 /nfs/dbraw/zinc/80/65/92/346806592.db2.gz ODGKDZBFWXKSJZ-JTQLQIEISA-N 0 0 244.319 3.708 20 30 BHEDRN Cc1coc(S[C@H](C)c2ccc(C#N)cc2)n1 ZINC000188385242 346806754 /nfs/dbraw/zinc/80/67/54/346806754.db2.gz ODGKDZBFWXKSJZ-SNVBAGLBSA-N 0 0 244.319 3.708 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N(C)c1ccc(C)cc1C ZINC000188402945 643382278 /nfs/dbraw/zinc/38/22/78/643382278.db2.gz OTKQPVYANSTCQK-MRXNPFEDSA-N 0 0 245.366 3.869 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N(C)c1ccc(C)cc1C ZINC000188402967 641755688 /nfs/dbraw/zinc/75/56/88/641755688.db2.gz OTKQPVYANSTCQK-INIZCTEOSA-N 0 0 245.366 3.869 20 30 BHEDRN C=CCC1(C(=O)N2CCC[C@@](C)(CC)C2)CCC1 ZINC000188425326 357552773 /nfs/dbraw/zinc/55/27/73/357552773.db2.gz SZCNEMKWLJZPRB-OAHLLOKOSA-N 0 0 249.398 3.772 20 30 BHEDRN C=CCC1(C(=O)N2CCC[C@](C)(CC)C2)CCC1 ZINC000188425351 357552598 /nfs/dbraw/zinc/55/25/98/357552598.db2.gz SZCNEMKWLJZPRB-HNNXBMFYSA-N 0 0 249.398 3.772 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N1CCC[C@@H](CC)CC1 ZINC000188425695 385704538 /nfs/dbraw/zinc/70/45/38/385704538.db2.gz TYYHCLAKUNDUGD-UKRRQHHQSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N1CCC[C@H](CC)CC1 ZINC000188425719 385704429 /nfs/dbraw/zinc/70/44/29/385704429.db2.gz TYYHCLAKUNDUGD-DZGCQCFKSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N1CCC[C@@H](CC)CC1 ZINC000188425742 385704259 /nfs/dbraw/zinc/70/42/59/385704259.db2.gz TYYHCLAKUNDUGD-HIFRSBDPSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N1CCC[C@H](CC)CC1 ZINC000188425768 259406439 /nfs/dbraw/zinc/40/64/39/259406439.db2.gz TYYHCLAKUNDUGD-ZFWWWQNUSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CCC1(C(=O)N2CCC3(CCCC3)C2)CCC1 ZINC000188432285 357553577 /nfs/dbraw/zinc/55/35/77/357553577.db2.gz QWGOLCQNLSNOBV-UHFFFAOYSA-N 0 0 247.382 3.526 20 30 BHEDRN C=C[C@](C)(CC)C(=O)NCCCC(C)(C)C ZINC000188441404 346812563 /nfs/dbraw/zinc/81/25/63/346812563.db2.gz XUZJVMSRASRDCR-CQSZACIVSA-N 0 0 225.376 3.531 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)NCCCC(C)(C)C ZINC000188441427 346812907 /nfs/dbraw/zinc/81/29/07/346812907.db2.gz XUZJVMSRASRDCR-AWEZNQCLSA-N 0 0 225.376 3.531 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H](C)C1CCCCC1 ZINC000188447190 385708972 /nfs/dbraw/zinc/70/89/72/385708972.db2.gz VBROJZOGMRBTCS-SWLSCSKDSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@@H](C)C1CCCCC1 ZINC000188447206 385708532 /nfs/dbraw/zinc/70/85/32/385708532.db2.gz VBROJZOGMRBTCS-WFASDCNBSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H](C)C1CCCCC1 ZINC000188447229 259406026 /nfs/dbraw/zinc/40/60/26/259406026.db2.gz VBROJZOGMRBTCS-IUODEOHRSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@H](C)C1CCCCC1 ZINC000188447252 385709086 /nfs/dbraw/zinc/70/90/86/385709086.db2.gz VBROJZOGMRBTCS-DOMZBBRYSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N1CCCC(C)(C)CC1 ZINC000188452565 349304189 /nfs/dbraw/zinc/30/41/89/349304189.db2.gz GYABUXSJDUVYHH-OAHLLOKOSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N1CCCC(C)(C)CC1 ZINC000188452589 259406667 /nfs/dbraw/zinc/40/66/67/259406667.db2.gz GYABUXSJDUVYHH-HNNXBMFYSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N1CCC2(C1)CCCCC2 ZINC000188454763 259406662 /nfs/dbraw/zinc/40/66/62/259406662.db2.gz BZESXFQVRFCREA-OAHLLOKOSA-N 0 0 249.398 3.772 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N1CCC2(C1)CCCCC2 ZINC000188454784 398053534 /nfs/dbraw/zinc/05/35/34/398053534.db2.gz BZESXFQVRFCREA-HNNXBMFYSA-N 0 0 249.398 3.772 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H](C)C[C@H](C)CC ZINC000188460356 385708707 /nfs/dbraw/zinc/70/87/07/385708707.db2.gz DWIXPMHJJKTMKQ-YRGRVCCFSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H](C)C[C@@H](C)CC ZINC000188460380 385709186 /nfs/dbraw/zinc/70/91/86/385709186.db2.gz 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C=CCC1(C(=O)N2CC[C@H](C)C[C@H](C)C2)CCC1 ZINC000189712061 357654432 /nfs/dbraw/zinc/65/44/32/357654432.db2.gz OYGIDEXUXMKGDC-KBPBESRZSA-N 0 0 249.398 3.627 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1cc(C)ccc1C ZINC000189747304 388642946 /nfs/dbraw/zinc/64/29/46/388642946.db2.gz BIRFCRKWSCTEOA-OAHLLOKOSA-N 0 0 231.339 3.844 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1cc(C)ccc1C ZINC000189747322 387289863 /nfs/dbraw/zinc/28/98/63/387289863.db2.gz BIRFCRKWSCTEOA-HNNXBMFYSA-N 0 0 231.339 3.844 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1cccc(C)c1 ZINC000189752552 388642444 /nfs/dbraw/zinc/64/24/44/388642444.db2.gz YUWLZBFKJHMHIS-CQSZACIVSA-N 0 0 217.312 3.536 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1cccc(C)c1 ZINC000189752569 259559074 /nfs/dbraw/zinc/55/90/74/259559074.db2.gz YUWLZBFKJHMHIS-AWEZNQCLSA-N 0 0 217.312 3.536 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccccc1C ZINC000189752666 187229434 /nfs/dbraw/zinc/22/94/34/187229434.db2.gz NOYRLYDCWRBESA-CQSZACIVSA-N 0 0 217.312 3.536 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccccc1C ZINC000189752684 387288777 /nfs/dbraw/zinc/28/87/77/387288777.db2.gz NOYRLYDCWRBESA-AWEZNQCLSA-N 0 0 217.312 3.536 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1cccc(C)c1C ZINC000189753346 388643266 /nfs/dbraw/zinc/64/32/66/388643266.db2.gz YNACNSSRYIEXMX-OAHLLOKOSA-N 0 0 231.339 3.844 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1cccc(C)c1C ZINC000189753365 388642406 /nfs/dbraw/zinc/64/24/06/388642406.db2.gz YNACNSSRYIEXMX-HNNXBMFYSA-N 0 0 231.339 3.844 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(C)cc1C ZINC000189753488 388642479 /nfs/dbraw/zinc/64/24/79/388642479.db2.gz RGSKSICYMFKMLD-OAHLLOKOSA-N 0 0 231.339 3.844 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(C)cc1C ZINC000189753509 388642632 /nfs/dbraw/zinc/64/26/32/388642632.db2.gz RGSKSICYMFKMLD-HNNXBMFYSA-N 0 0 231.339 3.844 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(OCC)cc1 ZINC000189754071 388642787 /nfs/dbraw/zinc/64/27/87/388642787.db2.gz MGCWAEPKDMJKIP-OAHLLOKOSA-N 0 0 247.338 3.626 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(OCC)cc1 ZINC000189754090 388643090 /nfs/dbraw/zinc/64/30/90/388643090.db2.gz MGCWAEPKDMJKIP-HNNXBMFYSA-N 0 0 247.338 3.626 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccccc1Cl ZINC000189754409 187566297 /nfs/dbraw/zinc/56/62/97/187566297.db2.gz RRXUPXOEJYMKLZ-CYBMUJFWSA-N 0 0 237.730 3.881 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccccc1Cl ZINC000189754429 187229025 /nfs/dbraw/zinc/22/90/25/187229025.db2.gz RRXUPXOEJYMKLZ-ZDUSSCGKSA-N 0 0 237.730 3.881 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(C)cc1 ZINC000189755190 388642372 /nfs/dbraw/zinc/64/23/72/388642372.db2.gz WZGKNKADWOLZOF-CQSZACIVSA-N 0 0 217.312 3.536 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(C)cc1 ZINC000189755208 388643164 /nfs/dbraw/zinc/64/31/64/388643164.db2.gz WZGKNKADWOLZOF-AWEZNQCLSA-N 0 0 217.312 3.536 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(F)cc1F ZINC000189773459 188080522 /nfs/dbraw/zinc/08/05/22/188080522.db2.gz RWSMAWVSBRXTNO-CYBMUJFWSA-N 0 0 239.265 3.506 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(F)cc1F ZINC000189773480 188081334 /nfs/dbraw/zinc/08/13/34/188081334.db2.gz RWSMAWVSBRXTNO-ZDUSSCGKSA-N 0 0 239.265 3.506 20 30 BHEDRN C[C@H](Sc1ccccn1)c1cccc(C#N)c1 ZINC000189776073 385298332 /nfs/dbraw/zinc/29/83/32/385298332.db2.gz RIGQLBVGAZWGNY-NSHDSACASA-N 0 0 240.331 3.807 20 30 BHEDRN C[C@@H](Sc1ccccn1)c1cccc(C#N)c1 ZINC000189776088 385299659 /nfs/dbraw/zinc/29/96/59/385299659.db2.gz RIGQLBVGAZWGNY-LLVKDONJSA-N 0 0 240.331 3.807 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(F)c(F)c1 ZINC000189776627 259476920 /nfs/dbraw/zinc/47/69/20/259476920.db2.gz KERZVWQHJPPBIE-CYBMUJFWSA-N 0 0 239.265 3.506 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(F)c(F)c1 ZINC000189776647 388642908 /nfs/dbraw/zinc/64/29/08/388642908.db2.gz KERZVWQHJPPBIE-ZDUSSCGKSA-N 0 0 239.265 3.506 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1cc(F)ccc1C ZINC000189779364 187229314 /nfs/dbraw/zinc/22/93/14/187229314.db2.gz VGUKGHAGJVXESX-CQSZACIVSA-N 0 0 235.302 3.675 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1cc(F)ccc1C ZINC000189779383 387290018 /nfs/dbraw/zinc/29/00/18/387290018.db2.gz VGUKGHAGJVXESX-AWEZNQCLSA-N 0 0 235.302 3.675 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(F)cc1C ZINC000189826415 187391247 /nfs/dbraw/zinc/39/12/47/187391247.db2.gz FBAFVXPZNQJTJT-CQSZACIVSA-N 0 0 235.302 3.675 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(F)cc1C ZINC000189826435 188254502 /nfs/dbraw/zinc/25/45/02/188254502.db2.gz FBAFVXPZNQJTJT-AWEZNQCLSA-N 0 0 235.302 3.675 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N(C)Cc1ccc(C)cc1 ZINC000189836649 398060458 /nfs/dbraw/zinc/06/04/58/398060458.db2.gz MIOKGLGYDUQRQB-MRXNPFEDSA-N 0 0 245.366 3.556 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N(C)Cc1ccc(C)cc1 ZINC000189836667 398060043 /nfs/dbraw/zinc/06/00/43/398060043.db2.gz MIOKGLGYDUQRQB-INIZCTEOSA-N 0 0 245.366 3.556 20 30 BHEDRN Cc1cncc(CSc2ccccc2C#N)c1 ZINC000189850255 353643769 /nfs/dbraw/zinc/64/37/69/353643769.db2.gz HKTBGGRAQDMYDH-UHFFFAOYSA-N 0 0 240.331 3.554 20 30 BHEDRN Cc1cncc(CSc2cccc(C#N)c2)c1 ZINC000189855210 353681936 /nfs/dbraw/zinc/68/19/36/353681936.db2.gz QWNABDJTKZBMHQ-UHFFFAOYSA-N 0 0 240.331 3.554 20 30 BHEDRN C[C@H](S[C@@H]1CCO[C@@H]1C)c1cccc(C#N)c1 ZINC000189865931 177028776 /nfs/dbraw/zinc/02/87/76/177028776.db2.gz VGPAYDZZZBBUCS-UHIISALHSA-N 0 0 247.363 3.530 20 30 BHEDRN C[C@H](S[C@@H]1CCO[C@H]1C)c1cccc(C#N)c1 ZINC000189865948 177028608 /nfs/dbraw/zinc/02/86/08/177028608.db2.gz VGPAYDZZZBBUCS-COPLHBTASA-N 0 0 247.363 3.530 20 30 BHEDRN C[C@H](S[C@H]1CCO[C@@H]1C)c1cccc(C#N)c1 ZINC000189865968 177029340 /nfs/dbraw/zinc/02/93/40/177029340.db2.gz VGPAYDZZZBBUCS-SUNKGSAMSA-N 0 0 247.363 3.530 20 30 BHEDRN C[C@H](S[C@H]1CCO[C@H]1C)c1cccc(C#N)c1 ZINC000189865991 177029198 /nfs/dbraw/zinc/02/91/98/177029198.db2.gz VGPAYDZZZBBUCS-MJVIPROJSA-N 0 0 247.363 3.530 20 30 BHEDRN C[C@H](SC1CCOCC1)c1cccc(C#N)c1 ZINC000189866662 177026348 /nfs/dbraw/zinc/02/63/48/177026348.db2.gz CRPWHEMYQSQCMV-NSHDSACASA-N 0 0 247.363 3.531 20 30 BHEDRN C[C@@H](SC1CCOCC1)c1cccc(C#N)c1 ZINC000189866683 176007023 /nfs/dbraw/zinc/00/70/23/176007023.db2.gz CRPWHEMYQSQCMV-LLVKDONJSA-N 0 0 247.363 3.531 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1cccc(SC)c1 ZINC000189882991 388645380 /nfs/dbraw/zinc/64/53/80/388645380.db2.gz AHIPXQVGVBZRPJ-CQSZACIVSA-N 0 0 249.379 3.949 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1cccc(SC)c1 ZINC000189883008 388645493 /nfs/dbraw/zinc/64/54/93/388645493.db2.gz AHIPXQVGVBZRPJ-AWEZNQCLSA-N 0 0 249.379 3.949 20 30 BHEDRN C=C[C@](C)(CC)C(=O)NCCC1=CCCCC1 ZINC000189885178 388645033 /nfs/dbraw/zinc/64/50/33/388645033.db2.gz GPAHIVGWDNDEKU-OAHLLOKOSA-N 0 0 235.371 3.595 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)NCCC1=CCCCC1 ZINC000189885198 388645165 /nfs/dbraw/zinc/64/51/65/388645165.db2.gz GPAHIVGWDNDEKU-HNNXBMFYSA-N 0 0 235.371 3.595 20 30 BHEDRN C=CCc1cccc(C(C)C)c1NC(=O)C1CC1 ZINC000189891839 187229091 /nfs/dbraw/zinc/22/90/91/187229091.db2.gz BGXVZAWIYMQQIE-UHFFFAOYSA-N 0 0 243.350 3.887 20 30 BHEDRN C=CCc1cccc(C(C)C)c1NC(=O)CC ZINC000189897462 187740316 /nfs/dbraw/zinc/74/03/16/187740316.db2.gz KCTDUBOIXSOSQQ-UHFFFAOYSA-N 0 0 231.339 3.887 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(SC)cc1 ZINC000189929916 388645424 /nfs/dbraw/zinc/64/54/24/388645424.db2.gz JGFVBPOKMJGXBP-CQSZACIVSA-N 0 0 249.379 3.949 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(SC)cc1 ZINC000189929932 259561218 /nfs/dbraw/zinc/56/12/18/259561218.db2.gz JGFVBPOKMJGXBP-AWEZNQCLSA-N 0 0 249.379 3.949 20 30 BHEDRN Cc1ccc(OCc2ccc(C#N)c(F)c2)cc1 ZINC000189938861 385332243 /nfs/dbraw/zinc/33/22/43/385332243.db2.gz XTBAMQOURZAZRQ-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1cccc(OCc2ccc(C#N)c(F)c2)c1 ZINC000189939042 385332137 /nfs/dbraw/zinc/33/21/37/385332137.db2.gz FRVWCUFNIHRHDR-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1ccccc1OCc1ccc(C#N)c(F)c1 ZINC000189939233 385331756 /nfs/dbraw/zinc/33/17/56/385331756.db2.gz PCXKZPSDOWDMPF-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccc(C)cc1F ZINC000189943610 387294085 /nfs/dbraw/zinc/29/40/85/387294085.db2.gz GIPUCZZKCTVBST-CQSZACIVSA-N 0 0 235.302 3.675 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc(C)cc1F ZINC000189943632 187741192 /nfs/dbraw/zinc/74/11/92/187741192.db2.gz GIPUCZZKCTVBST-AWEZNQCLSA-N 0 0 235.302 3.675 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1cc(C)ccc1F ZINC000189943713 387292851 /nfs/dbraw/zinc/29/28/51/387292851.db2.gz YYJCKIYPCXBXHB-CQSZACIVSA-N 0 0 235.302 3.675 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1cc(C)ccc1F ZINC000189943736 387293547 /nfs/dbraw/zinc/29/35/47/387293547.db2.gz YYJCKIYPCXBXHB-AWEZNQCLSA-N 0 0 235.302 3.675 20 30 BHEDRN C=CCC1(C(=O)N[C@@H]2CC23CCCCC3)CCC1 ZINC000189951409 388645524 /nfs/dbraw/zinc/64/55/24/388645524.db2.gz RQUSLPIGTZLXJA-CYBMUJFWSA-N 0 0 247.382 3.572 20 30 BHEDRN C=CCC1(C(=O)N[C@H]2CC23CCCCC3)CCC1 ZINC000189951427 388644995 /nfs/dbraw/zinc/64/49/95/388644995.db2.gz RQUSLPIGTZLXJA-ZDUSSCGKSA-N 0 0 247.382 3.572 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1cc(F)cc(F)c1 ZINC000189968241 388645451 /nfs/dbraw/zinc/64/54/51/388645451.db2.gz IMQSCIBRMUSYOK-CYBMUJFWSA-N 0 0 239.265 3.506 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1cc(F)cc(F)c1 ZINC000189968255 388645200 /nfs/dbraw/zinc/64/52/00/388645200.db2.gz IMQSCIBRMUSYOK-ZDUSSCGKSA-N 0 0 239.265 3.506 20 30 BHEDRN C=CCC1(C(=O)Nc2cccc(C)c2F)CCC1 ZINC000190009075 134557290 /nfs/dbraw/zinc/55/72/90/134557290.db2.gz BRTIFUVRQQWMPI-UHFFFAOYSA-N 0 0 247.313 3.819 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C1(CC=C)CCC1 ZINC000190016637 259561798 /nfs/dbraw/zinc/56/17/98/259561798.db2.gz ZTBBOIUFPNZUBO-ZDUSSCGKSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C1(CC=C)CCC1 ZINC000190016654 388645883 /nfs/dbraw/zinc/64/58/83/388645883.db2.gz ZTBBOIUFPNZUBO-CYBMUJFWSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCOc1cccc(NC(=O)C[C@H](C)CC)c1 ZINC000190026531 388645991 /nfs/dbraw/zinc/64/59/91/388645991.db2.gz RGZOCZWMQFRMNY-GFCCVEGCSA-N 0 0 247.338 3.626 20 30 BHEDRN C=CCOc1cccc(NC(=O)C[C@@H](C)CC)c1 ZINC000190026552 388646307 /nfs/dbraw/zinc/64/63/07/388646307.db2.gz RGZOCZWMQFRMNY-LBPRGKRZSA-N 0 0 247.338 3.626 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N(CC)Cc1ccccc1 ZINC000190026633 259561567 /nfs/dbraw/zinc/56/15/67/259561567.db2.gz JPYWJGCMJARIFH-MRXNPFEDSA-N 0 0 245.366 3.637 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N(CC)Cc1ccccc1 ZINC000190026655 388646104 /nfs/dbraw/zinc/64/61/04/388646104.db2.gz JPYWJGCMJARIFH-INIZCTEOSA-N 0 0 245.366 3.637 20 30 BHEDRN C=CCN(Cc1ccccc1)C(=O)/C(=C/C)CC ZINC000190031098 353380931 /nfs/dbraw/zinc/38/09/31/353380931.db2.gz KQGMOZFOFRVTHQ-PJQLUOCWSA-N 0 0 243.350 3.558 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCC(C)C ZINC000190037290 388646358 /nfs/dbraw/zinc/64/63/58/388646358.db2.gz KNTVWMDFZJRFAD-GXTWGEPZSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCC(C)C ZINC000190037310 388646138 /nfs/dbraw/zinc/64/61/38/388646138.db2.gz KNTVWMDFZJRFAD-JSGCOSHPSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H](C)CCC(C)C ZINC000190037331 259561951 /nfs/dbraw/zinc/56/19/51/259561951.db2.gz KNTVWMDFZJRFAD-TZMCWYRMSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCC(C)C ZINC000190037349 388646027 /nfs/dbraw/zinc/64/60/27/388646027.db2.gz KNTVWMDFZJRFAD-OCCSQVGLSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C(C)CN(C)C(=O)c1ccc(C2CCC2)cc1 ZINC000190059919 357687128 /nfs/dbraw/zinc/68/71/28/357687128.db2.gz AFRYHVAYPGHPMR-UHFFFAOYSA-N 0 0 243.350 3.602 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N(C)CC1CCCCC1 ZINC000190081620 388647217 /nfs/dbraw/zinc/64/72/17/388647217.db2.gz QVYKXDASHWJDCW-OAHLLOKOSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N(C)CC1CCCCC1 ZINC000190081640 386236285 /nfs/dbraw/zinc/23/62/85/386236285.db2.gz QVYKXDASHWJDCW-HNNXBMFYSA-N 0 0 237.387 3.627 20 30 BHEDRN C[C@H](Oc1ccccc1F)c1cccc(C#N)c1 ZINC000190086151 385142958 /nfs/dbraw/zinc/14/29/58/385142958.db2.gz DXXLPXOMQCSRHZ-NSHDSACASA-N 0 0 241.265 3.837 20 30 BHEDRN C[C@@H](Oc1ccccc1F)c1cccc(C#N)c1 ZINC000190086168 385140828 /nfs/dbraw/zinc/14/08/28/385140828.db2.gz DXXLPXOMQCSRHZ-LLVKDONJSA-N 0 0 241.265 3.837 20 30 BHEDRN C[C@H](Oc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000190087276 385128093 /nfs/dbraw/zinc/12/80/93/385128093.db2.gz VQSNMZCYKCHMMN-NSHDSACASA-N 0 0 241.265 3.837 20 30 BHEDRN C[C@@H](Oc1ccc(F)cc1)c1cccc(C#N)c1 ZINC000190087292 385127645 /nfs/dbraw/zinc/12/76/45/385127645.db2.gz VQSNMZCYKCHMMN-LLVKDONJSA-N 0 0 241.265 3.837 20 30 BHEDRN C[C@H](Oc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000190087381 357683107 /nfs/dbraw/zinc/68/31/07/357683107.db2.gz CMULBRYUZFRTIB-LBPRGKRZSA-N 0 0 248.285 3.570 20 30 BHEDRN C[C@@H](Oc1ccc(C#N)cc1)c1cccc(C#N)c1 ZINC000190087399 357683423 /nfs/dbraw/zinc/68/34/23/357683423.db2.gz CMULBRYUZFRTIB-GFCCVEGCSA-N 0 0 248.285 3.570 20 30 BHEDRN C[C@H](Oc1cccc(F)c1)c1cccc(C#N)c1 ZINC000190087462 356430344 /nfs/dbraw/zinc/43/03/44/356430344.db2.gz OCSZNPOSUJZAGA-NSHDSACASA-N 0 0 241.265 3.837 20 30 BHEDRN C[C@@H](Oc1cccc(F)c1)c1cccc(C#N)c1 ZINC000190087478 356430271 /nfs/dbraw/zinc/43/02/71/356430271.db2.gz OCSZNPOSUJZAGA-LLVKDONJSA-N 0 0 241.265 3.837 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H](C)CCCCC ZINC000190090817 641832071 /nfs/dbraw/zinc/83/20/71/641832071.db2.gz HEOBYTFCXQJPOY-TZMCWYRMSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCCCC ZINC000190090850 641833683 /nfs/dbraw/zinc/83/36/83/641833683.db2.gz HEOBYTFCXQJPOY-OCCSQVGLSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCCCC ZINC000190090868 641833734 /nfs/dbraw/zinc/83/37/34/641833734.db2.gz HEOBYTFCXQJPOY-JSGCOSHPSA-N 0 0 225.376 3.674 20 30 BHEDRN CCCCCCCCn1ccc(=O)cc1Cl ZINC000190092914 347319918 /nfs/dbraw/zinc/31/99/18/347319918.db2.gz HWDIWDQVTMYOTB-UHFFFAOYSA-N 0 0 241.762 3.862 20 30 BHEDRN C=CCCCC(=O)N1CCC=Cc2ccccc21 ZINC000190111396 259331275 /nfs/dbraw/zinc/33/12/75/259331275.db2.gz ANNPJZMAVUDQBF-UHFFFAOYSA-N 0 0 241.334 3.793 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000190124587 388647588 /nfs/dbraw/zinc/64/75/88/388647588.db2.gz GDPLWUVGVMGXHQ-XJKSGUPXSA-N 0 0 245.366 3.775 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccc(C)cc1 ZINC000190124607 259562821 /nfs/dbraw/zinc/56/28/21/259562821.db2.gz GDPLWUVGVMGXHQ-BBRMVZONSA-N 0 0 245.366 3.775 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000190124624 388646917 /nfs/dbraw/zinc/64/69/17/388646917.db2.gz GDPLWUVGVMGXHQ-CZUORRHYSA-N 0 0 245.366 3.775 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccc(C)cc1 ZINC000190124645 259563392 /nfs/dbraw/zinc/56/33/92/259563392.db2.gz GDPLWUVGVMGXHQ-CJNGLKHVSA-N 0 0 245.366 3.775 20 30 BHEDRN C=C[C@](C)(CC)C(=O)NCc1ccc(C)cc1C ZINC000190138164 388647279 /nfs/dbraw/zinc/64/72/79/388647279.db2.gz BSVPITRLZDJWIG-MRXNPFEDSA-N 0 0 245.366 3.522 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)NCc1ccc(C)cc1C ZINC000190138184 388647852 /nfs/dbraw/zinc/64/78/52/388647852.db2.gz BSVPITRLZDJWIG-INIZCTEOSA-N 0 0 245.366 3.522 20 30 BHEDRN CC(C)(C#N)CCCSCC[C@@H]1CCCO1 ZINC000190147778 388647334 /nfs/dbraw/zinc/64/73/34/388647334.db2.gz BAFOMQDVCJPVKC-LBPRGKRZSA-N 0 0 241.400 3.619 20 30 BHEDRN CC(C)(C#N)CCCSCC[C@H]1CCCO1 ZINC000190147799 388647313 /nfs/dbraw/zinc/64/73/13/388647313.db2.gz BAFOMQDVCJPVKC-GFCCVEGCSA-N 0 0 241.400 3.619 20 30 BHEDRN CCCCCCCO[C@@H]1CCCc2c[nH]nc21 ZINC000190169252 631794332 /nfs/dbraw/zinc/79/43/32/631794332.db2.gz ZKEYLOJKQKYUIF-CYBMUJFWSA-N 0 0 236.359 3.774 20 30 BHEDRN CCCCCCCO[C@H]1CCCc2c[nH]nc21 ZINC000190169269 631793994 /nfs/dbraw/zinc/79/39/94/631793994.db2.gz ZKEYLOJKQKYUIF-ZDUSSCGKSA-N 0 0 236.359 3.774 20 30 BHEDRN C=CCC1(C(=O)Nc2cc(C)ccc2C)CCC1 ZINC000190180509 259563312 /nfs/dbraw/zinc/56/33/12/259563312.db2.gz SMFCEHQBHZZLDC-UHFFFAOYSA-N 0 0 243.350 3.988 20 30 BHEDRN C=CCC1(C(=O)N[C@@H](C)c2ccccc2)CCC1 ZINC000190210568 353388516 /nfs/dbraw/zinc/38/85/16/353388516.db2.gz UUVREUKYABIRFG-ZDUSSCGKSA-N 0 0 243.350 3.610 20 30 BHEDRN C=CCC1(C(=O)N[C@H](C)c2ccccc2)CCC1 ZINC000190210582 534590536 /nfs/dbraw/zinc/59/05/36/534590536.db2.gz UUVREUKYABIRFG-CYBMUJFWSA-N 0 0 243.350 3.610 20 30 BHEDRN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)[C@@H](C)C2)CCC1 ZINC000190223568 388648293 /nfs/dbraw/zinc/64/82/93/388648293.db2.gz VEALDILFWGTXID-HZSPNIEDSA-N 0 0 249.398 3.674 20 30 BHEDRN C=CCC1(C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)CCC1 ZINC000190223585 259563583 /nfs/dbraw/zinc/56/35/83/259563583.db2.gz VEALDILFWGTXID-MELADBBJSA-N 0 0 249.398 3.674 20 30 BHEDRN C=CCC1(C(=O)Nc2cccc(C)c2)CCC1 ZINC000190246331 357697223 /nfs/dbraw/zinc/69/72/23/357697223.db2.gz WEEAJEJGUUZPTE-UHFFFAOYSA-N 0 0 229.323 3.680 20 30 BHEDRN C=CCC1(C(=O)Nc2ccccc2C)CCC1 ZINC000190247805 353385318 /nfs/dbraw/zinc/38/53/18/353385318.db2.gz STLPBDLKXUZMRF-UHFFFAOYSA-N 0 0 229.323 3.680 20 30 BHEDRN C=CCC1(C(=O)Nc2cccc(C)c2C)CCC1 ZINC000190252388 133663486 /nfs/dbraw/zinc/66/34/86/133663486.db2.gz OJEYSONILDTAPD-UHFFFAOYSA-N 0 0 243.350 3.988 20 30 BHEDRN C=CCC1(C(=O)Nc2ccc(C)cc2C)CCC1 ZINC000190254070 388648191 /nfs/dbraw/zinc/64/81/91/388648191.db2.gz GMFRYXASTSGFEO-UHFFFAOYSA-N 0 0 243.350 3.988 20 30 BHEDRN C=CCC1(C(=O)Nc2ccc(F)cc2)CCC1 ZINC000190255924 357698298 /nfs/dbraw/zinc/69/82/98/357698298.db2.gz USJVOOJMWWXYDI-UHFFFAOYSA-N 0 0 233.286 3.511 20 30 BHEDRN C=CCC1(C(=O)Nc2ccc(C)cc2)CCC1 ZINC000190267304 357698123 /nfs/dbraw/zinc/69/81/23/357698123.db2.gz FXNWUKQKWTVDLB-UHFFFAOYSA-N 0 0 229.323 3.680 20 30 BHEDRN C=CCC1(C(=O)Nc2cccc(F)c2)CCC1 ZINC000190271072 134559039 /nfs/dbraw/zinc/55/90/39/134559039.db2.gz CNFRJQGNUBNPGP-UHFFFAOYSA-N 0 0 233.286 3.511 20 30 BHEDRN C=CCCOc1ccc(F)cc1OC(C)C ZINC000190271910 356438040 /nfs/dbraw/zinc/43/80/40/356438040.db2.gz RPWMXVLYYWQQKK-UHFFFAOYSA-N 0 0 224.275 3.568 20 30 BHEDRN C=CCC1(C(=O)Nc2ccccc2F)CCC1 ZINC000190290101 133664323 /nfs/dbraw/zinc/66/43/23/133664323.db2.gz JNTNZGRHGVSLDO-UHFFFAOYSA-N 0 0 233.286 3.511 20 30 BHEDRN C=CCCCOc1ccc([C@@H]2CCOC2)cc1 ZINC000190309969 388649467 /nfs/dbraw/zinc/64/94/67/388649467.db2.gz CXOJTYQRGQXVKI-CQSZACIVSA-N 0 0 232.323 3.536 20 30 BHEDRN C=CCCCOc1ccc([C@H]2CCOC2)cc1 ZINC000190309986 388649082 /nfs/dbraw/zinc/64/90/82/388649082.db2.gz CXOJTYQRGQXVKI-AWEZNQCLSA-N 0 0 232.323 3.536 20 30 BHEDRN Cc1ccccc1NCc1ccc(C#N)c(F)c1 ZINC000190311465 134559342 /nfs/dbraw/zinc/55/93/42/134559342.db2.gz YRNHJGJMTURCOF-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN C=CCCC(=O)N[C@@H](C)c1cc2ccccc2o1 ZINC000190321701 534619017 /nfs/dbraw/zinc/61/90/17/534619017.db2.gz XVDQOYGRKTTZBF-NSHDSACASA-N 0 0 243.306 3.576 20 30 BHEDRN Cc1cccc(NCc2ccc(C#N)c(F)c2)c1 ZINC000190329082 357701306 /nfs/dbraw/zinc/70/13/06/357701306.db2.gz NQUNAXIHNYDJRN-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN Cc1ccc(NCc2ccc(C#N)c(F)c2)cc1 ZINC000190329298 134559682 /nfs/dbraw/zinc/55/96/82/134559682.db2.gz YXWUMJPMFDJLEG-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN C=CCCCC(=O)N1CCC(C)(C(C)C)CC1 ZINC000190329437 386252822 /nfs/dbraw/zinc/25/28/22/386252822.db2.gz SSXYPEDUTQIYRL-UHFFFAOYSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CCC1(C(=O)Nc2cc(F)ccc2C)CCC1 ZINC000190382625 353393331 /nfs/dbraw/zinc/39/33/31/353393331.db2.gz JTTOBAYVXAAOFI-UHFFFAOYSA-N 0 0 247.313 3.819 20 30 BHEDRN C#CCCCC(=O)N1CCCC[C@H]1CCC(C)C ZINC000190388091 641861996 /nfs/dbraw/zinc/86/19/96/641861996.db2.gz ZOHMUOADYBOHJZ-HNNXBMFYSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCC(=O)N1CCCC[C@@H]1CCC(C)C ZINC000190388112 641861747 /nfs/dbraw/zinc/86/17/47/641861747.db2.gz ZOHMUOADYBOHJZ-OAHLLOKOSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCC(=O)N(C)c1ccc(C(C)C)cc1 ZINC000190395026 533003138 /nfs/dbraw/zinc/00/31/38/533003138.db2.gz IDXFCGKGLNYXEP-UHFFFAOYSA-N 0 0 243.350 3.576 20 30 BHEDRN C=CCC1(C(=O)NC2CCCCCC2)CCC1 ZINC000190404751 388651188 /nfs/dbraw/zinc/65/11/88/388651188.db2.gz IUNORSPCLNKEBI-UHFFFAOYSA-N 0 0 235.371 3.572 20 30 BHEDRN C=CCC1(C(=O)Nc2ccc(F)cc2C)CCC1 ZINC000190522676 353400657 /nfs/dbraw/zinc/40/06/57/353400657.db2.gz ZGOQLFFZJDMXDH-UHFFFAOYSA-N 0 0 247.313 3.819 20 30 BHEDRN C#CCCCC(=O)O[C@H](C)c1cc(C)ccc1F ZINC000190532315 641870704 /nfs/dbraw/zinc/87/07/04/641870704.db2.gz UBQVJMYCWXLIDB-GFCCVEGCSA-N 0 0 248.297 3.542 20 30 BHEDRN C#CCCCC(=O)O[C@@H](C)c1cc(C)ccc1F ZINC000190532335 641870808 /nfs/dbraw/zinc/87/08/08/641870808.db2.gz UBQVJMYCWXLIDB-LBPRGKRZSA-N 0 0 248.297 3.542 20 30 BHEDRN C=CCCCNc1ccc2ccn(C)c2c1 ZINC000190617442 386318821 /nfs/dbraw/zinc/31/88/21/386318821.db2.gz RXUARPFOUVICJZ-UHFFFAOYSA-N 0 0 214.312 3.556 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N1C[C@H](C)c2ccccc21 ZINC000190632311 363186358 /nfs/dbraw/zinc/18/63/58/363186358.db2.gz NILFNTCLAGWEPC-BLLLJJGKSA-N 0 0 243.350 3.739 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N1C[C@H](C)c2ccccc21 ZINC000190632331 363186468 /nfs/dbraw/zinc/18/64/68/363186468.db2.gz NILFNTCLAGWEPC-LRDDRELGSA-N 0 0 243.350 3.739 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000190632352 363186479 /nfs/dbraw/zinc/18/64/79/363186479.db2.gz NILFNTCLAGWEPC-MLGOLLRUSA-N 0 0 243.350 3.739 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N1C[C@@H](C)c2ccccc21 ZINC000190632369 363186247 /nfs/dbraw/zinc/18/62/47/363186247.db2.gz NILFNTCLAGWEPC-WBMJQRKESA-N 0 0 243.350 3.739 20 30 BHEDRN C=CCC1(C(=O)N[C@@H](C)c2cccs2)CCC1 ZINC000190635938 353406456 /nfs/dbraw/zinc/40/64/56/353406456.db2.gz QGPMSRYWNBXDFR-NSHDSACASA-N 0 0 249.379 3.672 20 30 BHEDRN C=CCC1(C(=O)N[C@H](C)c2cccs2)CCC1 ZINC000190635961 534591604 /nfs/dbraw/zinc/59/16/04/534591604.db2.gz QGPMSRYWNBXDFR-LLVKDONJSA-N 0 0 249.379 3.672 20 30 BHEDRN C=CCC1(C(=O)NCCC2=CCCCC2)CCC1 ZINC000190688415 259567017 /nfs/dbraw/zinc/56/70/17/259567017.db2.gz UFCPBLPVNGCYMT-UHFFFAOYSA-N 0 0 247.382 3.740 20 30 BHEDRN C=CCC1(C(=O)NCC(C)(C)C(C)C)CCC1 ZINC000190764696 388656525 /nfs/dbraw/zinc/65/65/25/388656525.db2.gz YZAGKZFIZBSGDG-UHFFFAOYSA-N 0 0 237.387 3.531 20 30 BHEDRN CCc1nc(C)ccc1OCCCC(C)(C)C#N ZINC000190773908 397886901 /nfs/dbraw/zinc/88/69/01/397886901.db2.gz WJRYQDIWFHBJBZ-UHFFFAOYSA-N 0 0 246.354 3.661 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1cccc(OCC)c1 ZINC000190777995 259568721 /nfs/dbraw/zinc/56/87/21/259568721.db2.gz PEQWJHAYHDHQEL-OAHLLOKOSA-N 0 0 247.338 3.626 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1cccc(OCC)c1 ZINC000190778007 388657400 /nfs/dbraw/zinc/65/74/00/388657400.db2.gz PEQWJHAYHDHQEL-HNNXBMFYSA-N 0 0 247.338 3.626 20 30 BHEDRN C[C@H](SC[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000190783548 388657397 /nfs/dbraw/zinc/65/73/97/388657397.db2.gz JAVQBMHGHWLIQR-FZMZJTMJSA-N 0 0 247.363 3.531 20 30 BHEDRN C[C@@H](SC[C@@H]1CCCO1)c1cccc(C#N)c1 ZINC000190783565 259337759 /nfs/dbraw/zinc/33/77/59/259337759.db2.gz JAVQBMHGHWLIQR-RISCZKNCSA-N 0 0 247.363 3.531 20 30 BHEDRN C[C@H](SC[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000190783582 219924059 /nfs/dbraw/zinc/92/40/59/219924059.db2.gz JAVQBMHGHWLIQR-SMDDNHRTSA-N 0 0 247.363 3.531 20 30 BHEDRN C[C@@H](SC[C@H]1CCCO1)c1cccc(C#N)c1 ZINC000190783598 387872276 /nfs/dbraw/zinc/87/22/76/387872276.db2.gz JAVQBMHGHWLIQR-BXUZGUMPSA-N 0 0 247.363 3.531 20 30 BHEDRN CCCS[C@@H](C)c1cccc(C#N)c1 ZINC000190785657 398043957 /nfs/dbraw/zinc/04/39/57/398043957.db2.gz MTFHQIWJUGEGJG-JTQLQIEISA-N 0 0 205.326 3.762 20 30 BHEDRN CCCS[C@H](C)c1cccc(C#N)c1 ZINC000190785673 398043902 /nfs/dbraw/zinc/04/39/02/398043902.db2.gz MTFHQIWJUGEGJG-SNVBAGLBSA-N 0 0 205.326 3.762 20 30 BHEDRN CC(C)S[C@@H](C)c1cccc(C#N)c1 ZINC000190793784 167335477 /nfs/dbraw/zinc/33/54/77/167335477.db2.gz VJZCVBVZAXVLPR-JTQLQIEISA-N 0 0 205.326 3.761 20 30 BHEDRN CC(C)S[C@H](C)c1cccc(C#N)c1 ZINC000190793801 167335522 /nfs/dbraw/zinc/33/55/22/167335522.db2.gz VJZCVBVZAXVLPR-SNVBAGLBSA-N 0 0 205.326 3.761 20 30 BHEDRN CC(C)OCCS[C@@H](C)c1cccc(C#N)c1 ZINC000190795751 167250957 /nfs/dbraw/zinc/25/09/57/167250957.db2.gz DBVCWBSFYDKTPX-LBPRGKRZSA-N 0 0 249.379 3.777 20 30 BHEDRN CC(C)OCCS[C@H](C)c1cccc(C#N)c1 ZINC000190795768 167251697 /nfs/dbraw/zinc/25/16/97/167251697.db2.gz DBVCWBSFYDKTPX-GFCCVEGCSA-N 0 0 249.379 3.777 20 30 BHEDRN C/C=C/CS[C@@H](C)c1cccc(C#N)c1 ZINC000190796349 387891738 /nfs/dbraw/zinc/89/17/38/387891738.db2.gz DTTIRTXJBVPNIF-UFFNRZRYSA-N 0 0 217.337 3.929 20 30 BHEDRN C/C=C/CS[C@H](C)c1cccc(C#N)c1 ZINC000190796369 387892199 /nfs/dbraw/zinc/89/21/99/387892199.db2.gz DTTIRTXJBVPNIF-PGLGOXFNSA-N 0 0 217.337 3.929 20 30 BHEDRN C=CCS[C@@H](C)c1cccc(C#N)c1 ZINC000190799492 534884653 /nfs/dbraw/zinc/88/46/53/534884653.db2.gz PNCAILWUEBFZOE-JTQLQIEISA-N 0 0 203.310 3.538 20 30 BHEDRN C=CCS[C@H](C)c1cccc(C#N)c1 ZINC000190799508 353416275 /nfs/dbraw/zinc/41/62/75/353416275.db2.gz PNCAILWUEBFZOE-SNVBAGLBSA-N 0 0 203.310 3.538 20 30 BHEDRN C[C@H](SCc1ccon1)c1cccc(C#N)c1 ZINC000190802541 357731978 /nfs/dbraw/zinc/73/19/78/357731978.db2.gz BMZQTXGNEWGGME-JTQLQIEISA-N 0 0 244.319 3.541 20 30 BHEDRN C[C@@H](SCc1ccon1)c1cccc(C#N)c1 ZINC000190802556 357731982 /nfs/dbraw/zinc/73/19/82/357731982.db2.gz BMZQTXGNEWGGME-SNVBAGLBSA-N 0 0 244.319 3.541 20 30 BHEDRN C=C(C)CS[C@@H](C)c1cccc(C#N)c1 ZINC000190804524 205912145 /nfs/dbraw/zinc/91/21/45/205912145.db2.gz HNZIYKXJKUPULT-NSHDSACASA-N 0 0 217.337 3.929 20 30 BHEDRN C=C(C)CS[C@H](C)c1cccc(C#N)c1 ZINC000190804541 386667872 /nfs/dbraw/zinc/66/78/72/386667872.db2.gz HNZIYKXJKUPULT-LLVKDONJSA-N 0 0 217.337 3.929 20 30 BHEDRN C[C@H](SCC1CC1)c1cccc(C#N)c1 ZINC000190811090 134565425 /nfs/dbraw/zinc/56/54/25/134565425.db2.gz NFZAGIQYQNYZSW-JTQLQIEISA-N 0 0 217.337 3.762 20 30 BHEDRN C[C@@H](SCC1CC1)c1cccc(C#N)c1 ZINC000190811107 134565625 /nfs/dbraw/zinc/56/56/25/134565625.db2.gz NFZAGIQYQNYZSW-SNVBAGLBSA-N 0 0 217.337 3.762 20 30 BHEDRN C[C@H](SCCCF)c1cccc(C#N)c1 ZINC000190811599 177026798 /nfs/dbraw/zinc/02/67/98/177026798.db2.gz NPTCMVSRAPXOBI-JTQLQIEISA-N 0 0 223.316 3.712 20 30 BHEDRN C[C@@H](SCCCF)c1cccc(C#N)c1 ZINC000190811616 176008376 /nfs/dbraw/zinc/00/83/76/176008376.db2.gz NPTCMVSRAPXOBI-SNVBAGLBSA-N 0 0 223.316 3.712 20 30 BHEDRN C=CCCCNc1cccc2ccn(C)c21 ZINC000190814117 205911195 /nfs/dbraw/zinc/91/11/95/205911195.db2.gz AKTICZSZEFMRTC-UHFFFAOYSA-N 0 0 214.312 3.556 20 30 BHEDRN C#CCCCC(=O)N(C)C1CCC(CCC)CC1 ZINC000190826986 634196415 /nfs/dbraw/zinc/19/64/15/634196415.db2.gz HBLBUMLSTVEIOP-UHFFFAOYSA-N 0 0 249.398 3.607 20 30 BHEDRN Cc1ccc(C)c(OCCSCCCC#N)c1 ZINC000190872024 178489163 /nfs/dbraw/zinc/48/91/63/178489163.db2.gz FOUPJMBRPFXLHC-UHFFFAOYSA-N 0 0 249.379 3.719 20 30 BHEDRN CSCCS[C@@H](C)c1cccc(C#N)c1 ZINC000190873954 387036618 /nfs/dbraw/zinc/03/66/18/387036618.db2.gz SWPJSPAKTOPOHG-JTQLQIEISA-N 0 0 237.393 3.715 20 30 BHEDRN CSCCS[C@H](C)c1cccc(C#N)c1 ZINC000190873970 387036328 /nfs/dbraw/zinc/03/63/28/387036328.db2.gz SWPJSPAKTOPOHG-SNVBAGLBSA-N 0 0 237.393 3.715 20 30 BHEDRN N#CCCCSC/C=C/c1ccccc1 ZINC000190878333 229656082 /nfs/dbraw/zinc/65/60/82/229656082.db2.gz KFNFQVLLUHUAIG-RMKNXTFCSA-N 0 0 217.337 3.737 20 30 BHEDRN CCc1cccc(OCCSCCCC#N)c1 ZINC000190878602 385265595 /nfs/dbraw/zinc/26/55/95/385265595.db2.gz WBHKQURTMPOFCJ-UHFFFAOYSA-N 0 0 249.379 3.665 20 30 BHEDRN Cc1cccc(C)c1OCCSCCCC#N ZINC000190879405 179046888 /nfs/dbraw/zinc/04/68/88/179046888.db2.gz GJKFULFLTXGCIG-UHFFFAOYSA-N 0 0 249.379 3.719 20 30 BHEDRN CCOc1ccccc1CSCCCC#N ZINC000190881127 170593606 /nfs/dbraw/zinc/59/36/06/170593606.db2.gz DLOSTMMKKDYUHU-UHFFFAOYSA-N 0 0 235.352 3.622 20 30 BHEDRN N#CCCCSCc1ccc(F)c(F)c1 ZINC000190883398 385265627 /nfs/dbraw/zinc/26/56/27/385265627.db2.gz AAYXPKCOAROVDN-UHFFFAOYSA-N 0 0 227.279 3.502 20 30 BHEDRN N#CCCCSCc1cccc(F)c1F ZINC000190886046 347336984 /nfs/dbraw/zinc/33/69/84/347336984.db2.gz FPHGMAQATCKIOJ-UHFFFAOYSA-N 0 0 227.279 3.502 20 30 BHEDRN N#CCCCSCc1nc2ccccc2s1 ZINC000190889449 347336727 /nfs/dbraw/zinc/33/67/27/347336727.db2.gz JZSLSHOZJUIVDK-UHFFFAOYSA-N 0 0 248.376 3.833 20 30 BHEDRN CC#CCCS[C@@H](C)c1cccc(C#N)c1 ZINC000190890474 386746990 /nfs/dbraw/zinc/74/69/90/386746990.db2.gz CAHLFNUXZPPLTB-LBPRGKRZSA-N 0 0 229.348 3.766 20 30 BHEDRN CC#CCCS[C@H](C)c1cccc(C#N)c1 ZINC000190890491 386747038 /nfs/dbraw/zinc/74/70/38/386747038.db2.gz CAHLFNUXZPPLTB-GFCCVEGCSA-N 0 0 229.348 3.766 20 30 BHEDRN C=CCOc1cccc(NC(=O)/C(=C/C)CC)c1 ZINC000190893257 636042191 /nfs/dbraw/zinc/04/21/91/636042191.db2.gz GFJSYGHTOPIGFI-LFYBBSHMSA-N 0 0 245.322 3.546 20 30 BHEDRN CCCc1nc(CSCCCC#N)cs1 ZINC000190908945 347338275 /nfs/dbraw/zinc/33/82/75/347338275.db2.gz SEQMGQSMRNIUHL-UHFFFAOYSA-N 0 0 240.397 3.633 20 30 BHEDRN CC(C)c1nc(CSCCCC#N)cs1 ZINC000190913659 134565378 /nfs/dbraw/zinc/56/53/78/134565378.db2.gz LXAORNBVOSRMRY-UHFFFAOYSA-N 0 0 240.397 3.803 20 30 BHEDRN N#CCCCSCc1cc(F)ccc1F ZINC000190916582 347337637 /nfs/dbraw/zinc/33/76/37/347337637.db2.gz QAENNFVPODVRQP-UHFFFAOYSA-N 0 0 227.279 3.502 20 30 BHEDRN C[C@H](SCCCC#N)c1cccc(F)c1 ZINC000190919227 347338373 /nfs/dbraw/zinc/33/83/73/347338373.db2.gz GAKIAQJUTFRRBU-JTQLQIEISA-N 0 0 223.316 3.924 20 30 BHEDRN C[C@@H](SCCCC#N)c1cccc(F)c1 ZINC000190919242 134949756 /nfs/dbraw/zinc/94/97/56/134949756.db2.gz GAKIAQJUTFRRBU-SNVBAGLBSA-N 0 0 223.316 3.924 20 30 BHEDRN Cc1cc(CSCCCC#N)c(C)s1 ZINC000190924939 347338383 /nfs/dbraw/zinc/33/83/83/347338383.db2.gz QYJINWNQMRFAOV-UHFFFAOYSA-N 0 0 225.382 3.902 20 30 BHEDRN Cc1ccccc1OCCCSCCCC#N ZINC000190928865 347338130 /nfs/dbraw/zinc/33/81/30/347338130.db2.gz OSPCVHMIHZCOAQ-UHFFFAOYSA-N 0 0 249.379 3.801 20 30 BHEDRN C/C=C/CSCc1ccc(C#N)c(F)c1 ZINC000190939795 134566013 /nfs/dbraw/zinc/56/60/13/134566013.db2.gz VNSPJSYBZUBXDR-NSCUHMNNSA-N 0 0 221.300 3.507 20 30 BHEDRN N#CCCCSCc1ccc2c(c1)CCC2 ZINC000190946888 387305070 /nfs/dbraw/zinc/30/50/70/387305070.db2.gz IYLWNEBMSIZUDH-UHFFFAOYSA-N 0 0 231.364 3.712 20 30 BHEDRN CCc1ccc(CSCCCC#N)cc1 ZINC000190948242 387305508 /nfs/dbraw/zinc/30/55/08/387305508.db2.gz ONVVDWJDPTZWLE-UHFFFAOYSA-N 0 0 219.353 3.786 20 30 BHEDRN C=CCCCSCCc1scnc1C ZINC000190948835 386351858 /nfs/dbraw/zinc/35/18/58/386351858.db2.gz FBPQVWVTTXMPDN-UHFFFAOYSA-N 0 0 227.398 3.693 20 30 BHEDRN Cc1cccc(C)c1CSCCCC#N ZINC000190953956 134566092 /nfs/dbraw/zinc/56/60/92/134566092.db2.gz MIYDZDHTEKMJNG-UHFFFAOYSA-N 0 0 219.353 3.840 20 30 BHEDRN C=CCCSCc1ccc(C#N)c(F)c1 ZINC000190954129 358499268 /nfs/dbraw/zinc/49/92/68/358499268.db2.gz RIKUDRSRZSLNNR-UHFFFAOYSA-N 0 0 221.300 3.507 20 30 BHEDRN COc1cccc(CCCSCCCC#N)c1 ZINC000190956323 136220904 /nfs/dbraw/zinc/22/09/04/136220904.db2.gz DJHVQHMMBYCGAZ-UHFFFAOYSA-N 0 0 249.379 3.665 20 30 BHEDRN N#Cc1ccc(CSCC2CCC2)cc1F ZINC000190958030 357734713 /nfs/dbraw/zinc/73/47/13/357734713.db2.gz IRZHGHIESLCZKM-UHFFFAOYSA-N 0 0 235.327 3.731 20 30 BHEDRN C=C(C)CSCc1ccc(C#N)c(F)c1 ZINC000190962932 357734777 /nfs/dbraw/zinc/73/47/77/357734777.db2.gz DXLBZVJRFYJTMA-UHFFFAOYSA-N 0 0 221.300 3.507 20 30 BHEDRN N#CCCCS[C@@H]1CCc2ccc(F)cc21 ZINC000190965397 491063573 /nfs/dbraw/zinc/06/35/73/491063573.db2.gz IWYDUFHLERGEPI-CYBMUJFWSA-N 0 0 235.327 3.850 20 30 BHEDRN N#CCCCS[C@H]1CCc2ccc(F)cc21 ZINC000190965415 397888554 /nfs/dbraw/zinc/88/85/54/397888554.db2.gz IWYDUFHLERGEPI-ZDUSSCGKSA-N 0 0 235.327 3.850 20 30 BHEDRN C=CCC1(C(=O)N(C)c2ccc(C)cc2)CCC1 ZINC000190966930 641896162 /nfs/dbraw/zinc/89/61/62/641896162.db2.gz DNZRGTPJMUEFMV-UHFFFAOYSA-N 0 0 243.350 3.704 20 30 BHEDRN Cc1ccccc1CCCSCCCC#N ZINC000190971877 179264348 /nfs/dbraw/zinc/26/43/48/179264348.db2.gz HBLDCWJIFCBTTF-UHFFFAOYSA-N 0 0 233.380 3.965 20 30 BHEDRN N#CCCCSCc1ccc(F)cc1F ZINC000190972105 397888570 /nfs/dbraw/zinc/88/85/70/397888570.db2.gz ICGZVBYXRKKZAZ-UHFFFAOYSA-N 0 0 227.279 3.502 20 30 BHEDRN N#CCCCSCCc1ccc(F)c(F)c1 ZINC000190981595 357735802 /nfs/dbraw/zinc/73/58/02/357735802.db2.gz YDOGKDRJWNIJIS-UHFFFAOYSA-N 0 0 241.306 3.544 20 30 BHEDRN C[C@@H]1CCC[C@H](CSCCCC#N)C1 ZINC000190996367 176139933 /nfs/dbraw/zinc/13/99/33/176139933.db2.gz XEVWHMPOQZDZSK-NEPJUHHUSA-N 0 0 211.374 3.850 20 30 BHEDRN C[C@H]1CCC[C@H](CSCCCC#N)C1 ZINC000190996383 134566442 /nfs/dbraw/zinc/56/64/42/134566442.db2.gz XEVWHMPOQZDZSK-RYUDHWBXSA-N 0 0 211.374 3.850 20 30 BHEDRN C[C@@H]1CCC[C@@H](CSCCCC#N)C1 ZINC000190996397 176119689 /nfs/dbraw/zinc/11/96/89/176119689.db2.gz XEVWHMPOQZDZSK-VXGBXAGGSA-N 0 0 211.374 3.850 20 30 BHEDRN C[C@H]1CCC[C@@H](CSCCCC#N)C1 ZINC000190996414 357736295 /nfs/dbraw/zinc/73/62/95/357736295.db2.gz XEVWHMPOQZDZSK-NWDGAFQWSA-N 0 0 211.374 3.850 20 30 BHEDRN C[C@@H](CSCCCC#N)c1ccccc1 ZINC000191003737 175764384 /nfs/dbraw/zinc/76/43/84/175764384.db2.gz OUEMRPICZFCSHZ-LBPRGKRZSA-N 0 0 219.353 3.827 20 30 BHEDRN C[C@H](CSCCCC#N)c1ccccc1 ZINC000191003749 385275587 /nfs/dbraw/zinc/27/55/87/385275587.db2.gz OUEMRPICZFCSHZ-GFCCVEGCSA-N 0 0 219.353 3.827 20 30 BHEDRN C[C@H](SCCCC#N)c1nc2ccccc2o1 ZINC000191004287 177026845 /nfs/dbraw/zinc/02/68/45/177026845.db2.gz BWFHEBUVBIZCLS-JTQLQIEISA-N 0 0 246.335 3.926 20 30 BHEDRN C[C@@H](SCCCC#N)c1nc2ccccc2o1 ZINC000191004301 176008251 /nfs/dbraw/zinc/00/82/51/176008251.db2.gz BWFHEBUVBIZCLS-SNVBAGLBSA-N 0 0 246.335 3.926 20 30 BHEDRN Cc1cccc(CCCSCCCC#N)c1 ZINC000191004677 134567277 /nfs/dbraw/zinc/56/72/77/134567277.db2.gz UXAHUXYAHZNMSP-UHFFFAOYSA-N 0 0 233.380 3.965 20 30 BHEDRN N#CCCCSCCCc1cccc(F)c1 ZINC000191005532 229656055 /nfs/dbraw/zinc/65/60/55/229656055.db2.gz POFSEFXDNRIYOF-UHFFFAOYSA-N 0 0 237.343 3.795 20 30 BHEDRN N#CCCCSCc1c(F)cccc1F ZINC000191005682 385275833 /nfs/dbraw/zinc/27/58/33/385275833.db2.gz FEBLLGJHIMOJFV-UHFFFAOYSA-N 0 0 227.279 3.502 20 30 BHEDRN Cc1cc(F)ccc1CSCCCC#N ZINC000191011923 358502270 /nfs/dbraw/zinc/50/22/70/358502270.db2.gz GKKWFVDVLGGTBP-UHFFFAOYSA-N 0 0 223.316 3.671 20 30 BHEDRN Cc1ccc(CCCSCCCC#N)cc1 ZINC000191013557 134567286 /nfs/dbraw/zinc/56/72/86/134567286.db2.gz JHDWHFLYYOTMRK-UHFFFAOYSA-N 0 0 233.380 3.965 20 30 BHEDRN CC1CCC(CSCCCC#N)CC1 ZINC000191014935 388659465 /nfs/dbraw/zinc/65/94/65/388659465.db2.gz GTSOHSSKYVGWIP-UHFFFAOYSA-N 0 0 211.374 3.850 20 30 BHEDRN N#CCCCSCC1CCCCCC1 ZINC000191015233 357742395 /nfs/dbraw/zinc/74/23/95/357742395.db2.gz RKRLTLGXSDQFNU-UHFFFAOYSA-N 0 0 211.374 3.994 20 30 BHEDRN CCCCCCCCS(=O)(=O)C1CCCC1 ZINC000191021795 641897966 /nfs/dbraw/zinc/89/79/66/641897966.db2.gz QRGOTNFNLLSOHW-UHFFFAOYSA-N 0 0 246.416 3.704 20 30 BHEDRN CCc1ccccc1CSCCCC#N ZINC000191023966 134567446 /nfs/dbraw/zinc/56/74/46/134567446.db2.gz OCVBAXKXEGDNEB-UHFFFAOYSA-N 0 0 219.353 3.786 20 30 BHEDRN Cc1ccc(F)cc1CSCCCC#N ZINC000191024158 178688209 /nfs/dbraw/zinc/68/82/09/178688209.db2.gz XYIJLJGCKGFUFL-UHFFFAOYSA-N 0 0 223.316 3.671 20 30 BHEDRN N#CCCCSCc1cc(F)cc(F)c1 ZINC000191024295 385278026 /nfs/dbraw/zinc/27/80/26/385278026.db2.gz NUGRYKYBPFPSHW-UHFFFAOYSA-N 0 0 227.279 3.502 20 30 BHEDRN C[C@H](SCCCC#N)c1cccc(C#N)c1 ZINC000191024894 177026742 /nfs/dbraw/zinc/02/67/42/177026742.db2.gz JVRGPBCDHQPCPE-NSHDSACASA-N 0 0 230.336 3.656 20 30 BHEDRN C[C@@H](SCCCC#N)c1cccc(C#N)c1 ZINC000191024911 176008229 /nfs/dbraw/zinc/00/82/29/176008229.db2.gz JVRGPBCDHQPCPE-LLVKDONJSA-N 0 0 230.336 3.656 20 30 BHEDRN CCc1cccc(CSCCCC#N)c1 ZINC000191027520 385277096 /nfs/dbraw/zinc/27/70/96/385277096.db2.gz OXRJBMGSBITVHD-UHFFFAOYSA-N 0 0 219.353 3.786 20 30 BHEDRN C#CCCCC(=O)Oc1cc(C)ccc1C(C)C ZINC000191030129 636057396 /nfs/dbraw/zinc/05/73/96/636057396.db2.gz FQEALHIPRVZZKM-UHFFFAOYSA-N 0 0 244.334 3.827 20 30 BHEDRN CCCCCCCCS(=O)(=O)[C@@H](C)C(C)C ZINC000191050140 634203462 /nfs/dbraw/zinc/20/34/62/634203462.db2.gz FEVSSHWVYGFHIJ-ZDUSSCGKSA-N 0 0 248.432 3.806 20 30 BHEDRN CCCCCCCCS(=O)(=O)[C@H](C)C(C)C ZINC000191050154 641898436 /nfs/dbraw/zinc/89/84/36/641898436.db2.gz FEVSSHWVYGFHIJ-CYBMUJFWSA-N 0 0 248.432 3.806 20 30 BHEDRN C=CCC1(C(=O)N(C)c2cccc(C)c2)CCC1 ZINC000191082273 357748783 /nfs/dbraw/zinc/74/87/83/357748783.db2.gz JVAGMJHRINJDRF-UHFFFAOYSA-N 0 0 243.350 3.704 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000191132571 388660185 /nfs/dbraw/zinc/66/01/85/388660185.db2.gz LSVRUNZCSIDYTJ-XHDPSFHLSA-N 0 0 249.354 3.676 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1cc(C)oc1C ZINC000191132589 388660545 /nfs/dbraw/zinc/66/05/45/388660545.db2.gz LSVRUNZCSIDYTJ-NHYWBVRUSA-N 0 0 249.354 3.676 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000191132608 259345061 /nfs/dbraw/zinc/34/50/61/259345061.db2.gz LSVRUNZCSIDYTJ-IAQYHMDHSA-N 0 0 249.354 3.676 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1cc(C)oc1C ZINC000191132622 259345091 /nfs/dbraw/zinc/34/50/91/259345091.db2.gz LSVRUNZCSIDYTJ-ABAIWWIYSA-N 0 0 249.354 3.676 20 30 BHEDRN C=C[C@](C)(CC)c1nc(-c2ccccc2)no1 ZINC000191152297 359533997 /nfs/dbraw/zinc/53/39/97/359533997.db2.gz HBKBETHWEWRWFX-CQSZACIVSA-N 0 0 228.295 3.590 20 30 BHEDRN C=C[C@@](C)(CC)c1nc(-c2ccccc2)no1 ZINC000191152317 359533427 /nfs/dbraw/zinc/53/34/27/359533427.db2.gz HBKBETHWEWRWFX-AWEZNQCLSA-N 0 0 228.295 3.590 20 30 BHEDRN C=C[C@](C)(CC)c1nc(-c2cccs2)no1 ZINC000191158157 359535235 /nfs/dbraw/zinc/53/52/35/359535235.db2.gz FTAJANAHXFLSOG-GFCCVEGCSA-N 0 0 234.324 3.652 20 30 BHEDRN C=C[C@@](C)(CC)c1nc(-c2cccs2)no1 ZINC000191158174 359535418 /nfs/dbraw/zinc/53/54/18/359535418.db2.gz FTAJANAHXFLSOG-LBPRGKRZSA-N 0 0 234.324 3.652 20 30 BHEDRN C=C[C@](C)(CC)c1nc(-c2ccsc2)no1 ZINC000191159941 359534928 /nfs/dbraw/zinc/53/49/28/359534928.db2.gz ZWEPBKJCQPYCIZ-GFCCVEGCSA-N 0 0 234.324 3.652 20 30 BHEDRN C=C[C@@](C)(CC)c1nc(-c2ccsc2)no1 ZINC000191159963 359535256 /nfs/dbraw/zinc/53/52/56/359535256.db2.gz ZWEPBKJCQPYCIZ-LBPRGKRZSA-N 0 0 234.324 3.652 20 30 BHEDRN C=C[C@](C)(CC)c1nc(Cc2ccccc2)no1 ZINC000191161824 359535096 /nfs/dbraw/zinc/53/50/96/359535096.db2.gz OPSFBQAWTHIIIQ-OAHLLOKOSA-N 0 0 242.322 3.514 20 30 BHEDRN C=C[C@@](C)(CC)c1nc(Cc2ccccc2)no1 ZINC000191161840 359535289 /nfs/dbraw/zinc/53/52/89/359535289.db2.gz OPSFBQAWTHIIIQ-HNNXBMFYSA-N 0 0 242.322 3.514 20 30 BHEDRN C=C[C@](C)(CC)c1nc(C2CCCC2)no1 ZINC000191164767 359535031 /nfs/dbraw/zinc/53/50/31/359535031.db2.gz WFLAFZRMRYJLQM-CYBMUJFWSA-N 0 0 220.316 3.581 20 30 BHEDRN C=C[C@@](C)(CC)c1nc(C2CCCC2)no1 ZINC000191164782 359535297 /nfs/dbraw/zinc/53/52/97/359535297.db2.gz WFLAFZRMRYJLQM-ZDUSSCGKSA-N 0 0 220.316 3.581 20 30 BHEDRN O=C(/C=C/c1cocn1)c1cccc2ccccc21 ZINC000191204171 641905532 /nfs/dbraw/zinc/90/55/32/641905532.db2.gz SPMGMIXWTFDZJI-CMDGGOBGSA-N 0 0 249.269 3.724 20 30 BHEDRN C=CCC1(c2nc(-c3ccccc3)no2)CCC1 ZINC000191218262 359539414 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ZINC000193445846 388353405 /nfs/dbraw/zinc/35/34/05/388353405.db2.gz INFJIEKKMUAVFB-VQHVLOKHSA-N 0 0 234.302 3.686 20 30 BHEDRN N#Cc1ccc(/C=C/c2ccc(Cl)s2)nc1 ZINC000193447751 388352218 /nfs/dbraw/zinc/35/22/18/388352218.db2.gz COTOZHBOVGFYAN-ONEGZZNKSA-N 0 0 246.722 3.839 20 30 BHEDRN Cc1ccc(/C=C/c2ccc(C#N)cn2)cc1C ZINC000193447959 388352096 /nfs/dbraw/zinc/35/20/96/388352096.db2.gz QIQUOLUSPNOAHB-FNORWQNLSA-N 0 0 234.302 3.741 20 30 BHEDRN C#CCC(C)(C)C(=O)N[C@H](C)CC1CCCCC1 ZINC000193465969 636054362 /nfs/dbraw/zinc/05/43/62/636054362.db2.gz BKTNZHCFRZJANB-CYBMUJFWSA-N 0 0 249.398 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@H](C)CC1CCCCC1 ZINC000193467798 388705550 /nfs/dbraw/zinc/70/55/50/388705550.db2.gz SZXSQDCSTFFTHU-CQSZACIVSA-N 0 0 249.398 3.655 20 30 BHEDRN Cc1nc(Cl)ccc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000193479778 347397681 /nfs/dbraw/zinc/39/76/81/347397681.db2.gz AWINNGUDUGKZCQ-WDEREUQCSA-N 0 0 249.745 3.538 20 30 BHEDRN Cc1nc(Cl)ccc1N[C@H]1CCC[C@H](C#N)C1 ZINC000193479797 347397281 /nfs/dbraw/zinc/39/72/81/347397281.db2.gz AWINNGUDUGKZCQ-QWRGUYRKSA-N 0 0 249.745 3.538 20 30 BHEDRN Cc1nc(Cl)ccc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000193479809 347397404 /nfs/dbraw/zinc/39/74/04/347397404.db2.gz AWINNGUDUGKZCQ-GHMZBOCLSA-N 0 0 249.745 3.538 20 30 BHEDRN Cc1nc(Cl)ccc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000193479824 347397369 /nfs/dbraw/zinc/39/73/69/347397369.db2.gz AWINNGUDUGKZCQ-MNOVXSKESA-N 0 0 249.745 3.538 20 30 BHEDRN C=CCCCNc1ccc(SC)cc1OC ZINC000193507695 386560731 /nfs/dbraw/zinc/56/07/31/386560731.db2.gz SRCSUVPFRNPSIM-UHFFFAOYSA-N 0 0 237.368 3.795 20 30 BHEDRN C=CCCC(=O)O[C@@H](C)c1c(F)cccc1F ZINC000193762994 644277022 /nfs/dbraw/zinc/27/70/22/644277022.db2.gz DTHAXYBEJNXBCQ-VIFPVBQESA-N 0 0 240.249 3.535 20 30 BHEDRN Cc1ccc(C(=O)/C=C/c2c(C)noc2C)s1 ZINC000193773335 644278396 /nfs/dbraw/zinc/27/83/96/644278396.db2.gz YRFBAWOCUNMHHM-AATRIKPKSA-N 0 0 247.319 3.557 20 30 BHEDRN C=C(C)CN(CC)C(=O)[C@@H]1CCCCC1(C)C ZINC000193794675 259610884 /nfs/dbraw/zinc/61/08/84/259610884.db2.gz JDSXAIZOLLFGJQ-ZDUSSCGKSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)CN(CC)C(=O)[C@H]1CCCCC1(C)C ZINC000193794688 385510249 /nfs/dbraw/zinc/51/02/49/385510249.db2.gz JDSXAIZOLLFGJQ-CYBMUJFWSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CC1CCN(C(=O)[C@H]2CCCCC2(C)C)CC1 ZINC000194089774 397912161 /nfs/dbraw/zinc/91/21/61/397912161.db2.gz DEOMEQICRZYGRX-CQSZACIVSA-N 0 0 249.398 3.627 20 30 BHEDRN C=CC1CCN(C(=O)[C@@H]2CCCCC2(C)C)CC1 ZINC000194089794 397912312 /nfs/dbraw/zinc/91/23/12/397912312.db2.gz DEOMEQICRZYGRX-AWEZNQCLSA-N 0 0 249.398 3.627 20 30 BHEDRN C=C(C)CSc1cccc2cccnc21 ZINC000194107402 262755839 /nfs/dbraw/zinc/75/58/39/262755839.db2.gz LUNLTOFPYRRILQ-UHFFFAOYSA-N 0 0 215.321 3.903 20 30 BHEDRN N#CCCCSc1cccc2cccnc21 ZINC000194107434 388723878 /nfs/dbraw/zinc/72/38/78/388723878.db2.gz IXROTLRWEVGADT-UHFFFAOYSA-N 0 0 228.320 3.631 20 30 BHEDRN C=CCCCN(C)C(=O)[C@H]1CCCCC1(C)C ZINC000194160847 259616542 /nfs/dbraw/zinc/61/65/42/259616542.db2.gz IQRLHHPKUXDBDL-CYBMUJFWSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CCCCN(C)C(=O)[C@@H]1CCCCC1(C)C ZINC000194160859 259616559 /nfs/dbraw/zinc/61/65/59/259616559.db2.gz IQRLHHPKUXDBDL-ZDUSSCGKSA-N 0 0 237.387 3.627 20 30 BHEDRN N#CCCCOC(=O)CCCC1CCCCC1 ZINC000194207542 644309251 /nfs/dbraw/zinc/30/92/51/644309251.db2.gz AAANIXYNKXOJFM-UHFFFAOYSA-N 0 0 237.343 3.584 20 30 BHEDRN C=CCN(CC=C)Cc1sccc1Cl ZINC000194299768 323181322 /nfs/dbraw/zinc/18/13/22/323181322.db2.gz AJVCTRGLRZJNIK-UHFFFAOYSA-N 0 0 227.760 3.576 20 30 BHEDRN C=CCN(CC=C)Cc1cc(Cl)cs1 ZINC000194299788 385519475 /nfs/dbraw/zinc/51/94/75/385519475.db2.gz YPQASZAMEWEXFL-UHFFFAOYSA-N 0 0 227.760 3.576 20 30 BHEDRN C=CCCCC(=O)Oc1cc(F)ccc1Cl ZINC000194312710 644315593 /nfs/dbraw/zinc/31/55/93/644315593.db2.gz MQTALTHWVZHRCX-UHFFFAOYSA-N 0 0 242.677 3.741 20 30 BHEDRN C[C@@H]1CCC[C@H](OC(=O)C2(C#N)CCCCC2)C1 ZINC000194315325 644314005 /nfs/dbraw/zinc/31/40/05/644314005.db2.gz NEWICPCMZKZDND-OLZOCXBDSA-N 0 0 249.354 3.582 20 30 BHEDRN C[C@H]1CCC[C@H](OC(=O)C2(C#N)CCCCC2)C1 ZINC000194315341 644314135 /nfs/dbraw/zinc/31/41/35/644314135.db2.gz NEWICPCMZKZDND-STQMWFEESA-N 0 0 249.354 3.582 20 30 BHEDRN C[C@@H]1CCC[C@@H](OC(=O)C2(C#N)CCCCC2)C1 ZINC000194315354 644315439 /nfs/dbraw/zinc/31/54/39/644315439.db2.gz NEWICPCMZKZDND-CHWSQXEVSA-N 0 0 249.354 3.582 20 30 BHEDRN C[C@H]1CCC[C@@H](OC(=O)C2(C#N)CCCCC2)C1 ZINC000194315370 644313580 /nfs/dbraw/zinc/31/35/80/644313580.db2.gz NEWICPCMZKZDND-QWHCGFSZSA-N 0 0 249.354 3.582 20 30 BHEDRN C=CCCCCCNc1cccc(NC(C)=O)c1 ZINC000194358786 353646146 /nfs/dbraw/zinc/64/61/46/353646146.db2.gz ATMQBMUGBIYUGN-UHFFFAOYSA-N 0 0 246.354 3.803 20 30 BHEDRN C=CCCCCCN(CC#N)C1CCCC1 ZINC000194359156 206087811 /nfs/dbraw/zinc/08/78/11/206087811.db2.gz RYGHURODIJYNNO-UHFFFAOYSA-N 0 0 220.360 3.501 20 30 BHEDRN C=CCCCCCn1ccnc1C(C)C ZINC000194360348 206088952 /nfs/dbraw/zinc/08/89/52/206088952.db2.gz CBMKBCCTUYHSBD-UHFFFAOYSA-N 0 0 206.333 3.753 20 30 BHEDRN C=CCCCCCn1ccc(C(F)(F)F)n1 ZINC000194360409 206088220 /nfs/dbraw/zinc/08/82/20/206088220.db2.gz UQQYCTYIWBDGMB-UHFFFAOYSA-N 0 0 232.249 3.648 20 30 BHEDRN C=CCCCCCn1ccc2sccc2c1=O ZINC000194360465 206088664 /nfs/dbraw/zinc/08/86/64/206088664.db2.gz ULOCRYBMBDWTJX-UHFFFAOYSA-N 0 0 247.363 3.809 20 30 BHEDRN C=CCN(Cc1cccs1)C(=O)/C(C)=C/CC ZINC000194399869 644318402 /nfs/dbraw/zinc/31/84/02/644318402.db2.gz MKMPLFWRODLOOQ-KPKJPENVSA-N 0 0 249.379 3.619 20 30 BHEDRN CC/C=C(\C)C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000194407033 644316819 /nfs/dbraw/zinc/31/68/19/644316819.db2.gz NHYCODCGFVALHX-RUDMXATFSA-N 0 0 248.713 3.506 20 30 BHEDRN C[C@H](SCCCC#N)c1ccc(F)cc1 ZINC000194418698 259619958 /nfs/dbraw/zinc/61/99/58/259619958.db2.gz NKMXGSJIFWXHGF-JTQLQIEISA-N 0 0 223.316 3.924 20 30 BHEDRN C[C@@H](SCCCC#N)c1ccc(F)cc1 ZINC000194418715 388732030 /nfs/dbraw/zinc/73/20/30/388732030.db2.gz NKMXGSJIFWXHGF-SNVBAGLBSA-N 0 0 223.316 3.924 20 30 BHEDRN C=CCN(Cc1ccccc1)C(=O)/C(C)=C/CC ZINC000194533263 644326897 /nfs/dbraw/zinc/32/68/97/644326897.db2.gz PVBXJYBWKODRAY-NTEUORMPSA-N 0 0 243.350 3.558 20 30 BHEDRN COc1cccc(C)c1NCCCC(C)(C)C#N ZINC000194562566 367304997 /nfs/dbraw/zinc/30/49/97/367304997.db2.gz WVWQZMDBIIRGTR-UHFFFAOYSA-N 0 0 246.354 3.746 20 30 BHEDRN CC1(C)c2ccccc2C(=O)/C1=C\c1cccnc1 ZINC000194581314 644332040 /nfs/dbraw/zinc/33/20/40/644332040.db2.gz SJBAWWXDWTZQLB-XNTDXEJSSA-N 0 0 249.313 3.639 20 30 BHEDRN N#Cc1ccccc1C(=O)/C=C/c1ccsc1 ZINC000194586445 644331579 /nfs/dbraw/zinc/33/15/79/644331579.db2.gz KCFOHRGPCYHDMW-AATRIKPKSA-N 0 0 239.299 3.516 20 30 BHEDRN N#Cc1ccccc1C(=O)/C=C/c1cccs1 ZINC000194587799 634325994 /nfs/dbraw/zinc/32/59/94/634325994.db2.gz IWOCDNWVYKQQBU-BQYQJAHWSA-N 0 0 239.299 3.516 20 30 BHEDRN Cc1ccccc1/C=C/C(=O)c1ccccc1C#N ZINC000194588919 634325482 /nfs/dbraw/zinc/32/54/82/634325482.db2.gz BXNDKZDHRNWVSF-ZHACJKMWSA-N 0 0 247.297 3.763 20 30 BHEDRN Cc1cccc(/C=C/C(=O)c2ccccc2C#N)c1 ZINC000194588939 634324021 /nfs/dbraw/zinc/32/40/21/634324021.db2.gz ZOTBRCHXBGFUFZ-MDZDMXLPSA-N 0 0 247.297 3.763 20 30 BHEDRN Cc1ccc(/C=C/C(=O)c2ccccc2C#N)cc1 ZINC000194590305 634325858 /nfs/dbraw/zinc/32/58/58/634325858.db2.gz MCQZGIFIICTPTJ-ZHACJKMWSA-N 0 0 247.297 3.763 20 30 BHEDRN COCc1ccc(NCCCC(C)(C)C#N)cc1 ZINC000194595933 634325781 /nfs/dbraw/zinc/32/57/81/634325781.db2.gz HKBRSWKULJVBMH-UHFFFAOYSA-N 0 0 246.354 3.575 20 30 BHEDRN N#Cc1ccc(/C=C/C=C/c2ccccc2)nc1 ZINC000194596307 388735720 /nfs/dbraw/zinc/73/57/20/388735720.db2.gz CUCUZGVJVCIZMW-KBXRYBNXSA-N 0 0 232.286 3.680 20 30 BHEDRN O=C(/C=C/c1cccc(F)c1)c1ccsc1 ZINC000194614917 644335137 /nfs/dbraw/zinc/33/51/37/644335137.db2.gz OMSJJHGGDFICRG-SNAWJCMRSA-N 0 0 232.279 3.783 20 30 BHEDRN COc1cccc(/C=C/C(=O)c2ccsc2)c1 ZINC000194615424 644335168 /nfs/dbraw/zinc/33/51/68/644335168.db2.gz WXNPZGPGGCBGFI-AATRIKPKSA-N 0 0 244.315 3.653 20 30 BHEDRN O=C(/C=C/c1ccccc1F)c1ccsc1 ZINC000194615491 644334853 /nfs/dbraw/zinc/33/48/53/644334853.db2.gz QQAVBDYSILBGCC-AATRIKPKSA-N 0 0 232.279 3.783 20 30 BHEDRN O=C(/C=C/c1ccc(F)cc1)c1ccsc1 ZINC000194615700 644334088 /nfs/dbraw/zinc/33/40/88/644334088.db2.gz IQYVAMOQPSESDQ-ZZXKWVIFSA-N 0 0 232.279 3.783 20 30 BHEDRN C[C@H](Oc1ccccc1F)c1ccc(C#N)cc1 ZINC000194621796 388736827 /nfs/dbraw/zinc/73/68/27/388736827.db2.gz NBJWLERAARVNHP-NSHDSACASA-N 0 0 241.265 3.837 20 30 BHEDRN C[C@@H](Oc1ccccc1F)c1ccc(C#N)cc1 ZINC000194621811 259397892 /nfs/dbraw/zinc/39/78/92/259397892.db2.gz NBJWLERAARVNHP-LLVKDONJSA-N 0 0 241.265 3.837 20 30 BHEDRN C[C@H](Oc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000194621858 388737100 /nfs/dbraw/zinc/73/71/00/388737100.db2.gz OGFNCQOISIXVHF-NSHDSACASA-N 0 0 241.265 3.837 20 30 BHEDRN C[C@@H](Oc1ccc(F)cc1)c1ccc(C#N)cc1 ZINC000194621870 388737105 /nfs/dbraw/zinc/73/71/05/388737105.db2.gz OGFNCQOISIXVHF-LLVKDONJSA-N 0 0 241.265 3.837 20 30 BHEDRN C[C@H](Oc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000194621889 367312526 /nfs/dbraw/zinc/31/25/26/367312526.db2.gz YJPUSFBUXMSDSC-NSHDSACASA-N 0 0 241.265 3.837 20 30 BHEDRN C[C@@H](Oc1cccc(F)c1)c1ccc(C#N)cc1 ZINC000194621903 367312412 /nfs/dbraw/zinc/31/24/12/367312412.db2.gz YJPUSFBUXMSDSC-LLVKDONJSA-N 0 0 241.265 3.837 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194836199 206110943 /nfs/dbraw/zinc/11/09/43/206110943.db2.gz RURUANPAZAPFNG-OAHLLOKOSA-N 0 0 242.322 3.709 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194836212 206110841 /nfs/dbraw/zinc/11/08/41/206110841.db2.gz RURUANPAZAPFNG-HNNXBMFYSA-N 0 0 242.322 3.709 20 30 BHEDRN Cc1cc(C)cc(/C=C/c2ccc(C#N)cn2)c1 ZINC000194858392 259629391 /nfs/dbraw/zinc/62/93/91/259629391.db2.gz CANZHEIUMJAZGQ-HWKANZROSA-N 0 0 234.302 3.741 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194867072 206111955 /nfs/dbraw/zinc/11/19/55/206111955.db2.gz OXXVXCGKTYKOQG-NSHDSACASA-N 0 0 242.322 3.709 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc2cc[nH]c2c1 ZINC000194867088 206111729 /nfs/dbraw/zinc/11/17/29/206111729.db2.gz OXXVXCGKTYKOQG-LLVKDONJSA-N 0 0 242.322 3.709 20 30 BHEDRN CCCCCCC(=O)N(CC#N)c1ccccc1 ZINC000194953564 634341718 /nfs/dbraw/zinc/34/17/18/634341718.db2.gz QRQZUFJRGBDMFL-UHFFFAOYSA-N 0 0 244.338 3.514 20 30 BHEDRN C[C@H](Nc1cccc(C#N)c1)C1CCSCC1 ZINC000194970700 388747655 /nfs/dbraw/zinc/74/76/55/388747655.db2.gz IWIDGZXYXXBUCB-NSHDSACASA-N 0 0 246.379 3.502 20 30 BHEDRN C[C@@H](Nc1cccc(C#N)c1)C1CCSCC1 ZINC000194970714 388748283 /nfs/dbraw/zinc/74/82/83/388748283.db2.gz IWIDGZXYXXBUCB-LLVKDONJSA-N 0 0 246.379 3.502 20 30 BHEDRN C[C@@H](c1cc(Cl)ccc1Cl)N(C)CC#N ZINC000194984602 259631477 /nfs/dbraw/zinc/63/14/77/259631477.db2.gz LLPSBBDVTUPHDI-QMMMGPOBSA-N 0 0 243.137 3.510 20 30 BHEDRN C[C@H](c1cc(Cl)ccc1Cl)N(C)CC#N ZINC000194984617 388748065 /nfs/dbraw/zinc/74/80/65/388748065.db2.gz LLPSBBDVTUPHDI-MRVPVSSYSA-N 0 0 243.137 3.510 20 30 BHEDRN C=CCN(Cc1ccco1)Cc1ccccc1F ZINC000194986883 134165036 /nfs/dbraw/zinc/16/50/36/134165036.db2.gz VPWKNYQWWNOPPP-UHFFFAOYSA-N 0 0 245.297 3.607 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1c(C)cccc1OC ZINC000195010535 388082972 /nfs/dbraw/zinc/08/29/72/388082972.db2.gz WTZYSMORYNKYLC-LBPRGKRZSA-N 0 0 247.338 3.544 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1c(C)cccc1OC ZINC000195010550 388083198 /nfs/dbraw/zinc/08/31/98/388083198.db2.gz WTZYSMORYNKYLC-GFCCVEGCSA-N 0 0 247.338 3.544 20 30 BHEDRN CC(C)(CCC#N)COC(=O)C[C@H]1C=CCCC1 ZINC000195038961 644358271 /nfs/dbraw/zinc/35/82/71/644358271.db2.gz YMHKKPQIOMSWET-ZDUSSCGKSA-N 0 0 249.354 3.606 20 30 BHEDRN CC(C)(CCC#N)COC(=O)C[C@@H]1C=CCCC1 ZINC000195038967 644356873 /nfs/dbraw/zinc/35/68/73/644356873.db2.gz YMHKKPQIOMSWET-CYBMUJFWSA-N 0 0 249.354 3.606 20 30 BHEDRN CCC[C@@H](C)CC(=O)OCC(C)(C)CCC#N ZINC000195040627 634348329 /nfs/dbraw/zinc/34/83/29/634348329.db2.gz UPUCMGAGKGJPBA-GFCCVEGCSA-N 0 0 239.359 3.686 20 30 BHEDRN CCC[C@H](C)CC(=O)OCC(C)(C)CCC#N ZINC000195040639 634348662 /nfs/dbraw/zinc/34/86/62/634348662.db2.gz UPUCMGAGKGJPBA-LBPRGKRZSA-N 0 0 239.359 3.686 20 30 BHEDRN CCC(C)(CC)C(=O)OCC(C)(C)CCC#N ZINC000195042869 634349182 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ZINC000226150950 388707449 /nfs/dbraw/zinc/70/74/49/388707449.db2.gz XLWCJGPWBSZABZ-UHFFFAOYSA-N 0 0 240.144 3.746 20 30 BHEDRN C=CCCCNc1cc(F)ccc1Cl ZINC000226151042 388731753 /nfs/dbraw/zinc/73/17/53/388731753.db2.gz WORCERLNEIVEBZ-UHFFFAOYSA-N 0 0 213.683 3.857 20 30 BHEDRN CCCCCCCCn1cnc(C)c1C ZINC000226152292 640734915 /nfs/dbraw/zinc/73/49/15/640734915.db2.gz NVQSJLSGSCVPJD-UHFFFAOYSA-N 0 0 208.349 3.860 20 30 BHEDRN C[C@@H]1CC[C@@H](Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000226186988 388020097 /nfs/dbraw/zinc/02/00/97/388020097.db2.gz MLWBHSLQAKLDQD-TYNCELHUSA-N 0 0 228.339 3.795 20 30 BHEDRN C[C@@H]1CC[C@H](Nc2ccc(C#N)cc2)[C@@H](C)C1 ZINC000226187004 388020128 /nfs/dbraw/zinc/02/01/28/388020128.db2.gz MLWBHSLQAKLDQD-XUJVJEKNSA-N 0 0 228.339 3.795 20 30 BHEDRN CCCC[C@@H](CCC)Nc1ncccc1C#N ZINC000226261407 359878558 /nfs/dbraw/zinc/87/85/58/359878558.db2.gz HKKBSTZPKQQSSM-CYBMUJFWSA-N 0 0 231.343 3.724 20 30 BHEDRN CCCC[C@H](CCC)Nc1ncccc1C#N ZINC000226261414 169002586 /nfs/dbraw/zinc/00/25/86/169002586.db2.gz HKKBSTZPKQQSSM-ZDUSSCGKSA-N 0 0 231.343 3.724 20 30 BHEDRN CCCC[C@@H](CCC)Nc1ccc(C#N)cn1 ZINC000226262475 359878515 /nfs/dbraw/zinc/87/85/15/359878515.db2.gz XPSJBOLADLKECU-CYBMUJFWSA-N 0 0 231.343 3.724 20 30 BHEDRN CCCC[C@H](CCC)Nc1ccc(C#N)cn1 ZINC000226262481 169002648 /nfs/dbraw/zinc/00/26/48/169002648.db2.gz XPSJBOLADLKECU-ZDUSSCGKSA-N 0 0 231.343 3.724 20 30 BHEDRN CC(C)CCSCc1ccc(C#N)cc1F ZINC000226382334 259611559 /nfs/dbraw/zinc/61/15/59/259611559.db2.gz KKWDWBAQTINSGS-UHFFFAOYSA-N 0 0 237.343 3.977 20 30 BHEDRN Cc1ccc(OCc2cccc(C#N)c2)cc1F ZINC000226418551 259432734 /nfs/dbraw/zinc/43/27/34/259432734.db2.gz UOSWRCJQAFZSTO-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1ccc(OCc2ccc(C#N)cc2)cc1F ZINC000226418604 388350162 /nfs/dbraw/zinc/35/01/62/388350162.db2.gz GQMDALOSDUYZTI-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1ccc(OCc2ccccc2C#N)cc1F ZINC000226418861 388350167 /nfs/dbraw/zinc/35/01/67/388350167.db2.gz BBNJMPABIPSNLI-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN CC1(C)C[C@@H]1CNc1ccc(C#N)c(Cl)c1 ZINC000226530730 388660276 /nfs/dbraw/zinc/66/02/76/388660276.db2.gz AROJVQJRWHDBCV-SNVBAGLBSA-N 0 0 234.730 3.670 20 30 BHEDRN CC1(C)C[C@H]1CNc1ccc(C#N)c(Cl)c1 ZINC000226530736 388661874 /nfs/dbraw/zinc/66/18/74/388661874.db2.gz AROJVQJRWHDBCV-JTQLQIEISA-N 0 0 234.730 3.670 20 30 BHEDRN CC1(C)C[C@@H]1CNc1ccc(Cl)cc1C#N ZINC000226531151 385981413 /nfs/dbraw/zinc/98/14/13/385981413.db2.gz XBZDZROXXHCBTI-SNVBAGLBSA-N 0 0 234.730 3.670 20 30 BHEDRN CC1(C)C[C@H]1CNc1ccc(Cl)cc1C#N ZINC000226531153 385982186 /nfs/dbraw/zinc/98/21/86/385982186.db2.gz XBZDZROXXHCBTI-JTQLQIEISA-N 0 0 234.730 3.670 20 30 BHEDRN CCC1(CNc2ccc(C#N)c(Cl)c2)CC1 ZINC000226807646 384514450 /nfs/dbraw/zinc/51/44/50/384514450.db2.gz GKGASCKBBQFIPH-UHFFFAOYSA-N 0 0 234.730 3.814 20 30 BHEDRN CC(C)CCSc1ccc(C#N)cc1F ZINC000226837080 388355647 /nfs/dbraw/zinc/35/56/47/388355647.db2.gz HCRDAUACKPJPQR-UHFFFAOYSA-N 0 0 223.316 3.836 20 30 BHEDRN COc1ccc(C#N)cc1CS[C@@H](C)C(C)C ZINC000227260672 398320611 /nfs/dbraw/zinc/32/06/11/398320611.db2.gz SLJKIGMESDCFIX-NSHDSACASA-N 0 0 249.379 3.845 20 30 BHEDRN COc1ccc(C#N)cc1CS[C@H](C)C(C)C ZINC000227260683 259629767 /nfs/dbraw/zinc/62/97/67/259629767.db2.gz SLJKIGMESDCFIX-LLVKDONJSA-N 0 0 249.379 3.845 20 30 BHEDRN CCCCCSCCOc1ccc(C#N)cc1 ZINC000227528802 259632408 /nfs/dbraw/zinc/63/24/08/259632408.db2.gz MLTQJOWRBPPKSE-UHFFFAOYSA-N 0 0 249.379 3.860 20 30 BHEDRN CCCCCSCCOc1cccc(C#N)c1 ZINC000227528824 259632487 /nfs/dbraw/zinc/63/24/87/259632487.db2.gz OYDXVFHHODRTNW-UHFFFAOYSA-N 0 0 249.379 3.860 20 30 BHEDRN CCCCCSCCOc1ccccc1C#N ZINC000227528829 384928450 /nfs/dbraw/zinc/92/84/50/384928450.db2.gz JXUFYVZBUXWHPD-UHFFFAOYSA-N 0 0 249.379 3.860 20 30 BHEDRN CC(C)CCSc1ccccc1C#N ZINC000227528926 384927915 /nfs/dbraw/zinc/92/79/15/384927915.db2.gz HIGAVSXOGVAAEI-UHFFFAOYSA-N 0 0 205.326 3.696 20 30 BHEDRN Cc1ccc(C#N)c(N[C@@H]2CCC[C@@H](C)CC2)n1 ZINC000227539229 178365416 /nfs/dbraw/zinc/36/54/16/178365416.db2.gz YCVNDPSTUSTNAE-BXUZGUMPSA-N 0 0 243.354 3.642 20 30 BHEDRN Cc1ccc(C#N)c(N[C@H]2CCC[C@@H](C)CC2)n1 ZINC000227539233 178365774 /nfs/dbraw/zinc/36/57/74/178365774.db2.gz YCVNDPSTUSTNAE-RISCZKNCSA-N 0 0 243.354 3.642 20 30 BHEDRN Cc1ccc(C#N)c(N[C@@H]2CCC[C@H](C)CC2)n1 ZINC000227539237 178365605 /nfs/dbraw/zinc/36/56/05/178365605.db2.gz YCVNDPSTUSTNAE-SMDDNHRTSA-N 0 0 243.354 3.642 20 30 BHEDRN Cc1ccc(C#N)c(N[C@H]2CCC[C@H](C)CC2)n1 ZINC000227539243 178365315 /nfs/dbraw/zinc/36/53/15/178365315.db2.gz YCVNDPSTUSTNAE-FZMZJTMJSA-N 0 0 243.354 3.642 20 30 BHEDRN Cc1nsc(N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C#N ZINC000227560186 134383487 /nfs/dbraw/zinc/38/34/87/134383487.db2.gz NYXYRASCNHZDQX-KBVBSXBZSA-N 0 0 249.383 3.560 20 30 BHEDRN Cc1nsc(N[C@@H]2CCC[C@H](C)[C@H]2C)c1C#N ZINC000227560192 134383449 /nfs/dbraw/zinc/38/34/49/134383449.db2.gz NYXYRASCNHZDQX-YGOYTEALSA-N 0 0 249.383 3.560 20 30 BHEDRN C=CCNc1ccc(Br)c(Cl)c1 ZINC000227595822 488044839 /nfs/dbraw/zinc/04/48/39/488044839.db2.gz GZDWDTHVQOVURW-UHFFFAOYSA-N 0 0 246.535 3.700 20 30 BHEDRN CC(C)CCSc1cccc(C#N)c1 ZINC000227599605 385256916 /nfs/dbraw/zinc/25/69/16/385256916.db2.gz HWEMDXMALXIKDO-UHFFFAOYSA-N 0 0 205.326 3.696 20 30 BHEDRN Cc1ccc(CNc2cc(F)cc(C#N)c2)cc1 ZINC000227606025 371902503 /nfs/dbraw/zinc/90/25/03/371902503.db2.gz RENAIAZNJOAPPS-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN Cc1ccccc1CNc1cc(F)cc(C#N)c1 ZINC000227608936 371903452 /nfs/dbraw/zinc/90/34/52/371903452.db2.gz GVTBRVOUCNHDLV-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN Cc1cccc(CNc2cc(F)cc(C#N)c2)c1 ZINC000227608946 371904109 /nfs/dbraw/zinc/90/41/09/371904109.db2.gz SRNZAHDDPFYFIV-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN CC(C)(C)CCOc1cc(F)cc(C#N)c1 ZINC000227636388 384049151 /nfs/dbraw/zinc/04/91/51/384049151.db2.gz WNWPEQJKGAUPTK-UHFFFAOYSA-N 0 0 221.275 3.512 20 30 BHEDRN CCCC[C@@H](CC)CNc1cccc(C#N)n1 ZINC000227648821 384067156 /nfs/dbraw/zinc/06/71/56/384067156.db2.gz HSBFKLRHHOZQMH-GFCCVEGCSA-N 0 0 231.343 3.582 20 30 BHEDRN CCCC[C@H](CC)CNc1cccc(C#N)n1 ZINC000227648825 259632899 /nfs/dbraw/zinc/63/28/99/259632899.db2.gz HSBFKLRHHOZQMH-LBPRGKRZSA-N 0 0 231.343 3.582 20 30 BHEDRN CC1(C)C[C@@H]1CNc1cc(Cl)ccc1C#N ZINC000227652209 388368744 /nfs/dbraw/zinc/36/87/44/388368744.db2.gz PTKVCDWVYAPUDI-SNVBAGLBSA-N 0 0 234.730 3.670 20 30 BHEDRN CC1(C)C[C@H]1CNc1cc(Cl)ccc1C#N ZINC000227652214 259632821 /nfs/dbraw/zinc/63/28/21/259632821.db2.gz PTKVCDWVYAPUDI-JTQLQIEISA-N 0 0 234.730 3.670 20 30 BHEDRN COc1ccc(CS[C@@H](C)C(C)C)cc1C#N ZINC000227751655 388370068 /nfs/dbraw/zinc/37/00/68/388370068.db2.gz JOVKIHDFRFEKGE-NSHDSACASA-N 0 0 249.379 3.845 20 30 BHEDRN COc1ccc(CS[C@H](C)C(C)C)cc1C#N ZINC000227751662 259633656 /nfs/dbraw/zinc/63/36/56/259633656.db2.gz JOVKIHDFRFEKGE-LLVKDONJSA-N 0 0 249.379 3.845 20 30 BHEDRN CCC1(CNc2ccc(C#N)cc2)CCC1 ZINC000227777536 168483540 /nfs/dbraw/zinc/48/35/40/168483540.db2.gz RFSXWCQWIINDEJ-UHFFFAOYSA-N 0 0 214.312 3.550 20 30 BHEDRN C=CCCNc1c(F)cccc1Br ZINC000227781363 388758283 /nfs/dbraw/zinc/75/82/83/388758283.db2.gz OANRCFCLPUBWIT-UHFFFAOYSA-N 0 0 244.107 3.576 20 30 BHEDRN CC(C)C1(CNc2ccc(F)cc2C#N)CC1 ZINC000227823178 166746347 /nfs/dbraw/zinc/74/63/47/166746347.db2.gz GHHVSJBDIUHHCF-UHFFFAOYSA-N 0 0 232.302 3.545 20 30 BHEDRN CC(C)C1(CNc2ccc(C#N)cc2F)CC1 ZINC000227823376 166746077 /nfs/dbraw/zinc/74/60/77/166746077.db2.gz XPFHFHKOYONWHA-UHFFFAOYSA-N 0 0 232.302 3.545 20 30 BHEDRN CC(C)C1(CNc2cccc(F)c2C#N)CC1 ZINC000227823625 398321298 /nfs/dbraw/zinc/32/12/98/398321298.db2.gz GPDPRBSUKAZACC-UHFFFAOYSA-N 0 0 232.302 3.545 20 30 BHEDRN CCCCCSc1ccc(C#N)cc1F ZINC000227860196 388371609 /nfs/dbraw/zinc/37/16/09/388371609.db2.gz UNIGDDFWBNVUDS-UHFFFAOYSA-N 0 0 223.316 3.980 20 30 BHEDRN CC(C)[C@@H](C)Sc1cccc(C#N)c1 ZINC000227863730 384961503 /nfs/dbraw/zinc/96/15/03/384961503.db2.gz PVLNHDGNSWEKMR-SNVBAGLBSA-N 0 0 205.326 3.695 20 30 BHEDRN CC(C)[C@H](C)Sc1cccc(C#N)c1 ZINC000227863736 388371354 /nfs/dbraw/zinc/37/13/54/388371354.db2.gz PVLNHDGNSWEKMR-JTQLQIEISA-N 0 0 205.326 3.695 20 30 BHEDRN C=C(C)CNc1cccc(Br)c1C ZINC000227872542 345281258 /nfs/dbraw/zinc/28/12/58/345281258.db2.gz WTYHWPNPHXRTKX-UHFFFAOYSA-N 0 0 240.144 3.746 20 30 BHEDRN C=CCCCNc1ccc(Cl)c(OC)c1 ZINC000227934005 259634578 /nfs/dbraw/zinc/63/45/78/259634578.db2.gz PRBANUBUWPQZGF-UHFFFAOYSA-N 0 0 225.719 3.727 20 30 BHEDRN C=C(CC)COc1cnc2ccccc2c1 ZINC000228035138 388765763 /nfs/dbraw/zinc/76/57/63/388765763.db2.gz IRNLBQJOMKPARI-UHFFFAOYSA-N 0 0 213.280 3.580 20 30 BHEDRN C=CCCCOc1cnc2ccccc2c1 ZINC000228035847 388765757 /nfs/dbraw/zinc/76/57/57/388765757.db2.gz IFIWEULQWURWMS-UHFFFAOYSA-N 0 0 213.280 3.580 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccccc1CCOC ZINC000228070624 385323658 /nfs/dbraw/zinc/32/36/58/385323658.db2.gz NOQPFQVLZJOLPI-CYBMUJFWSA-N 0 0 233.355 3.642 20 30 BHEDRN C=CCC[C@H](C)Nc1ccccc1CCOC ZINC000228070628 385324569 /nfs/dbraw/zinc/32/45/69/385324569.db2.gz NOQPFQVLZJOLPI-ZDUSSCGKSA-N 0 0 233.355 3.642 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccc(Cl)nc1C ZINC000228094167 640860229 /nfs/dbraw/zinc/86/02/29/640860229.db2.gz MJRNUUNHIGVABU-SECBINFHSA-N 0 0 224.735 3.810 20 30 BHEDRN C=CCC[C@H](C)Nc1ccc(Cl)nc1C ZINC000228094176 640860393 /nfs/dbraw/zinc/86/03/93/640860393.db2.gz MJRNUUNHIGVABU-VIFPVBQESA-N 0 0 224.735 3.810 20 30 BHEDRN N#Cc1ccc(Cl)cc1O[C@H]1C=CCCC1 ZINC000228353278 323082352 /nfs/dbraw/zinc/08/23/52/323082352.db2.gz DAMRAFOISUKLLW-LBPRGKRZSA-N 0 0 233.698 3.699 20 30 BHEDRN N#Cc1ccc(Cl)cc1O[C@@H]1C=CCCC1 ZINC000228353288 323082350 /nfs/dbraw/zinc/08/23/50/323082350.db2.gz DAMRAFOISUKLLW-GFCCVEGCSA-N 0 0 233.698 3.699 20 30 BHEDRN CCCC(CCC)C(=O)Nc1cccc(C#N)c1 ZINC000228447229 372029186 /nfs/dbraw/zinc/02/91/86/372029186.db2.gz USGOTEAHMLPRMU-UHFFFAOYSA-N 0 0 244.338 3.713 20 30 BHEDRN CC[C@@H](C)CSc1ccc(C#N)cc1 ZINC000228556421 262745241 /nfs/dbraw/zinc/74/52/41/262745241.db2.gz VICSNYHAQUMRTD-SNVBAGLBSA-N 0 0 205.326 3.696 20 30 BHEDRN CC[C@H](C)CSc1ccc(C#N)cc1 ZINC000228556428 262745308 /nfs/dbraw/zinc/74/53/08/262745308.db2.gz VICSNYHAQUMRTD-JTQLQIEISA-N 0 0 205.326 3.696 20 30 BHEDRN CC[C@@H](C)CSc1ccc(C#N)cc1F ZINC000228559051 388029392 /nfs/dbraw/zinc/02/93/92/388029392.db2.gz VAILKTANIZTXTE-SECBINFHSA-N 0 0 223.316 3.836 20 30 BHEDRN CC[C@H](C)CSc1ccc(C#N)cc1F ZINC000228559059 388385805 /nfs/dbraw/zinc/38/58/05/388385805.db2.gz VAILKTANIZTXTE-VIFPVBQESA-N 0 0 223.316 3.836 20 30 BHEDRN CC[C@@H](C)CSc1ccccc1C#N ZINC000228559311 262745295 /nfs/dbraw/zinc/74/52/95/262745295.db2.gz YHWLYHZNUNIMRW-SNVBAGLBSA-N 0 0 205.326 3.696 20 30 BHEDRN CC[C@H](C)CSc1ccccc1C#N ZINC000228559321 262745355 /nfs/dbraw/zinc/74/53/55/262745355.db2.gz YHWLYHZNUNIMRW-JTQLQIEISA-N 0 0 205.326 3.696 20 30 BHEDRN C[C@@H](Cc1ccsc1)Nc1cccc(C#N)c1 ZINC000228595233 398325093 /nfs/dbraw/zinc/32/50/93/398325093.db2.gz LLMBLJMYVCKNGI-NSHDSACASA-N 0 0 242.347 3.663 20 30 BHEDRN C[C@H](Cc1ccsc1)Nc1cccc(C#N)c1 ZINC000228595240 362244303 /nfs/dbraw/zinc/24/43/03/362244303.db2.gz LLMBLJMYVCKNGI-LLVKDONJSA-N 0 0 242.347 3.663 20 30 BHEDRN N#Cc1ccnc(NCCC2=CCCC2)c1Cl ZINC000228667731 487502347 /nfs/dbraw/zinc/50/23/47/487502347.db2.gz IPLYJMCLNXTAHK-UHFFFAOYSA-N 0 0 247.729 3.519 20 30 BHEDRN CC[C@@H](C)CSCCOc1ccc(C#N)cc1 ZINC000229045376 385873249 /nfs/dbraw/zinc/87/32/49/385873249.db2.gz JXHRGEKZMSAQCL-GFCCVEGCSA-N 0 0 249.379 3.716 20 30 BHEDRN CC[C@H](C)CSCCOc1ccc(C#N)cc1 ZINC000229045383 385855158 /nfs/dbraw/zinc/85/51/58/385855158.db2.gz JXHRGEKZMSAQCL-LBPRGKRZSA-N 0 0 249.379 3.716 20 30 BHEDRN CC[C@@H](C)CSCc1ccc(C#N)cc1 ZINC000229045399 398327626 /nfs/dbraw/zinc/32/76/26/398327626.db2.gz LAFXJQQBGKJDGP-LLVKDONJSA-N 0 0 219.353 3.838 20 30 BHEDRN CC[C@H](C)CSCc1ccc(C#N)cc1 ZINC000229045410 259638004 /nfs/dbraw/zinc/63/80/04/259638004.db2.gz LAFXJQQBGKJDGP-NSHDSACASA-N 0 0 219.353 3.838 20 30 BHEDRN CC[C@@H](C)CSCc1ccccc1C#N ZINC000229045461 385854913 /nfs/dbraw/zinc/85/49/13/385854913.db2.gz YVVLMKOEBYXIAV-LLVKDONJSA-N 0 0 219.353 3.838 20 30 BHEDRN CC[C@H](C)CSCc1ccccc1C#N ZINC000229045472 259638528 /nfs/dbraw/zinc/63/85/28/259638528.db2.gz YVVLMKOEBYXIAV-NSHDSACASA-N 0 0 219.353 3.838 20 30 BHEDRN CC[C@@H](C)CSCc1cc(C#N)ccc1F ZINC000229045768 398327679 /nfs/dbraw/zinc/32/76/79/398327679.db2.gz BCIIFZKKWQIWFB-SNVBAGLBSA-N 0 0 237.343 3.977 20 30 BHEDRN CC[C@H](C)CSCc1cc(C#N)ccc1F ZINC000229045780 259638389 /nfs/dbraw/zinc/63/83/89/259638389.db2.gz BCIIFZKKWQIWFB-JTQLQIEISA-N 0 0 237.343 3.977 20 30 BHEDRN CC[C@@H](C)CSCCOc1ccccc1C#N ZINC000229046003 385858066 /nfs/dbraw/zinc/85/80/66/385858066.db2.gz KJCQRAVSSJTTEE-GFCCVEGCSA-N 0 0 249.379 3.716 20 30 BHEDRN CC[C@H](C)CSCCOc1ccccc1C#N ZINC000229046015 398327509 /nfs/dbraw/zinc/32/75/09/398327509.db2.gz KJCQRAVSSJTTEE-LBPRGKRZSA-N 0 0 249.379 3.716 20 30 BHEDRN CC[C@@H](C)CSCc1cccc(C#N)c1 ZINC000229046123 398327551 /nfs/dbraw/zinc/32/75/51/398327551.db2.gz KFSGFHRKIYHPJS-LLVKDONJSA-N 0 0 219.353 3.838 20 30 BHEDRN CC[C@H](C)CSCc1cccc(C#N)c1 ZINC000229046138 385856215 /nfs/dbraw/zinc/85/62/15/385856215.db2.gz KFSGFHRKIYHPJS-NSHDSACASA-N 0 0 219.353 3.838 20 30 BHEDRN CC[C@@H](C)CSCc1ccc(C#N)cc1F ZINC000229046254 398327628 /nfs/dbraw/zinc/32/76/28/398327628.db2.gz HRTPDBVOMGLJOD-SNVBAGLBSA-N 0 0 237.343 3.977 20 30 BHEDRN CC[C@H](C)CSCc1ccc(C#N)cc1F ZINC000229046269 398327553 /nfs/dbraw/zinc/32/75/53/398327553.db2.gz HRTPDBVOMGLJOD-JTQLQIEISA-N 0 0 237.343 3.977 20 30 BHEDRN CC[C@@H](C)CSCCOc1cccc(C#N)c1 ZINC000229046386 259638214 /nfs/dbraw/zinc/63/82/14/259638214.db2.gz DLNSEZKVWPJQGC-GFCCVEGCSA-N 0 0 249.379 3.716 20 30 BHEDRN CC[C@H](C)CSCCOc1cccc(C#N)c1 ZINC000229046399 398327660 /nfs/dbraw/zinc/32/76/60/398327660.db2.gz DLNSEZKVWPJQGC-LBPRGKRZSA-N 0 0 249.379 3.716 20 30 BHEDRN CC[C@@H](C)CSc1cccc(F)c1C#N ZINC000229057237 398327674 /nfs/dbraw/zinc/32/76/74/398327674.db2.gz RJZYFODBAFOXNN-SECBINFHSA-N 0 0 223.316 3.836 20 30 BHEDRN CC[C@H](C)CSc1cccc(F)c1C#N ZINC000229057249 171293658 /nfs/dbraw/zinc/29/36/58/171293658.db2.gz RJZYFODBAFOXNN-VIFPVBQESA-N 0 0 223.316 3.836 20 30 BHEDRN N#Cc1cc(F)c(NCCC2=CCCC2)c(F)c1 ZINC000229173959 181087269 /nfs/dbraw/zinc/08/72/69/181087269.db2.gz RMRADFWVIURQSS-UHFFFAOYSA-N 0 0 248.276 3.749 20 30 BHEDRN N#Cc1c(F)cccc1NCCC1=CCCC1 ZINC000229174471 181075770 /nfs/dbraw/zinc/07/57/70/181075770.db2.gz FXLGYQFEHSGVOH-UHFFFAOYSA-N 0 0 230.286 3.610 20 30 BHEDRN N#Cc1cc(F)ccc1NCCC1=CCCC1 ZINC000229175344 181088625 /nfs/dbraw/zinc/08/86/25/181088625.db2.gz UJAMVHKJQYOBIX-UHFFFAOYSA-N 0 0 230.286 3.610 20 30 BHEDRN N#Cc1ccc(NCCC2=CCCC2)c(F)c1 ZINC000229175375 181120608 /nfs/dbraw/zinc/12/06/08/181120608.db2.gz OEJXQKMNCQAGEH-UHFFFAOYSA-N 0 0 230.286 3.610 20 30 BHEDRN Cc1ccoc1CNc1ccc(C#N)c(Cl)c1 ZINC000229473040 134454654 /nfs/dbraw/zinc/45/46/54/134454654.db2.gz SEQQWDSFDKKSJB-UHFFFAOYSA-N 0 0 246.697 3.725 20 30 BHEDRN Cc1ccoc1CNc1cc(Cl)ccc1C#N ZINC000229473609 387114486 /nfs/dbraw/zinc/11/44/86/387114486.db2.gz CWKJOKDGQACNHG-UHFFFAOYSA-N 0 0 246.697 3.725 20 30 BHEDRN Cc1ccoc1CNc1ccc(Cl)c(C#N)c1 ZINC000229473934 387114540 /nfs/dbraw/zinc/11/45/40/387114540.db2.gz DNEWCBKMWFOONG-UHFFFAOYSA-N 0 0 246.697 3.725 20 30 BHEDRN Cc1occc1SCc1cccc(C#N)c1F ZINC000229513233 134455894 /nfs/dbraw/zinc/45/58/94/134455894.db2.gz AUSYAUGLSKGRBP-UHFFFAOYSA-N 0 0 247.294 3.891 20 30 BHEDRN C=C(C)CNc1cc(F)ccc1Br ZINC000229542984 372163278 /nfs/dbraw/zinc/16/32/78/372163278.db2.gz XYECDPWIVWVGJU-UHFFFAOYSA-N 0 0 244.107 3.576 20 30 BHEDRN C=CCCNc1cc(F)ccc1Br ZINC000229543073 388793794 /nfs/dbraw/zinc/79/37/94/388793794.db2.gz MZQYGKAFECCXCM-UHFFFAOYSA-N 0 0 244.107 3.576 20 30 BHEDRN CSCCCCCNc1ccc(C#N)cc1 ZINC000229570219 384377686 /nfs/dbraw/zinc/37/76/86/384377686.db2.gz NRHUBOZKVCJBRU-UHFFFAOYSA-N 0 0 234.368 3.503 20 30 BHEDRN C#Cc1cccc(NCc2ccc3[nH]ccc3c2)c1 ZINC000229619324 711838682 /nfs/dbraw/zinc/83/86/82/711838682.db2.gz PRITZCTXNJIYRP-UHFFFAOYSA-N 0 0 246.313 3.761 20 30 BHEDRN C#CCCCCNc1ncc(Cl)cc1Cl ZINC000229736491 640975610 /nfs/dbraw/zinc/97/56/10/640975610.db2.gz JGVYOTGXBZIDMO-UHFFFAOYSA-N 0 0 243.137 3.604 20 30 BHEDRN C#CCCCCNc1nccc2sccc21 ZINC000229738700 632988174 /nfs/dbraw/zinc/98/81/74/632988174.db2.gz TWILEXZLEJMZAX-UHFFFAOYSA-N 0 0 230.336 3.512 20 30 BHEDRN CC(C)[C@@H](C)SCc1ccc(F)c(C#N)c1 ZINC000229754354 388397273 /nfs/dbraw/zinc/39/72/73/388397273.db2.gz NIAYQCLKAUJJBF-SNVBAGLBSA-N 0 0 237.343 3.975 20 30 BHEDRN CC(C)[C@H](C)SCc1ccc(F)c(C#N)c1 ZINC000229754359 259310705 /nfs/dbraw/zinc/31/07/05/259310705.db2.gz NIAYQCLKAUJJBF-JTQLQIEISA-N 0 0 237.343 3.975 20 30 BHEDRN CC[C@@H](C)CSc1cccc(C#N)c1 ZINC000229754477 259643000 /nfs/dbraw/zinc/64/30/00/259643000.db2.gz UUSIILMEKUQXKB-SNVBAGLBSA-N 0 0 205.326 3.696 20 30 BHEDRN CC[C@H](C)CSc1cccc(C#N)c1 ZINC000229754484 388799771 /nfs/dbraw/zinc/79/97/71/388799771.db2.gz UUSIILMEKUQXKB-JTQLQIEISA-N 0 0 205.326 3.696 20 30 BHEDRN N#Cc1cccc(SCC2CCCC2)c1 ZINC000229754491 386669262 /nfs/dbraw/zinc/66/92/62/386669262.db2.gz RVHGMAIDJSVVOL-UHFFFAOYSA-N 0 0 217.337 3.841 20 30 BHEDRN N#Cc1cccc(SC2CCCCC2)c1 ZINC000229754507 259643469 /nfs/dbraw/zinc/64/34/69/259643469.db2.gz CQWBBQFYRGFSMF-UHFFFAOYSA-N 0 0 217.337 3.983 20 30 BHEDRN CC[C@@H](C)CSCc1ccc(F)c(C#N)c1 ZINC000229754537 388396860 /nfs/dbraw/zinc/39/68/60/388396860.db2.gz ASLBGUFVRHKMEZ-SNVBAGLBSA-N 0 0 237.343 3.977 20 30 BHEDRN CC[C@H](C)CSCc1ccc(F)c(C#N)c1 ZINC000229754543 259643387 /nfs/dbraw/zinc/64/33/87/259643387.db2.gz ASLBGUFVRHKMEZ-JTQLQIEISA-N 0 0 237.343 3.977 20 30 BHEDRN Cc1cc(C)nc(SCCC(C)(C)C#N)c1 ZINC000229851710 372201411 /nfs/dbraw/zinc/20/14/11/372201411.db2.gz IQPLVYLHJLAGMF-UHFFFAOYSA-N 0 0 234.368 3.730 20 30 BHEDRN Cc1ccc(C#N)cc1OCc1cccc(F)c1 ZINC000229947487 384333900 /nfs/dbraw/zinc/33/39/00/384333900.db2.gz JBZLKCBUBAJVAL-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1ccc(C#N)cc1OCc1ccccc1F ZINC000229947536 384334807 /nfs/dbraw/zinc/33/48/07/384334807.db2.gz HVVPSTNDGBSBAO-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1ccc(C#N)cc1OCc1ccc(F)cc1 ZINC000229947773 384334984 /nfs/dbraw/zinc/33/49/84/384334984.db2.gz QJASOFAZHWOUCQ-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN CCCCSCc1cc(F)ccc1C#N ZINC000229948447 323100835 /nfs/dbraw/zinc/10/08/35/323100835.db2.gz ROTLWQCVZOUMJF-UHFFFAOYSA-N 0 0 223.316 3.731 20 30 BHEDRN CC(C)CSCc1cc(F)ccc1C#N ZINC000229948476 136273921 /nfs/dbraw/zinc/27/39/21/136273921.db2.gz UBSVJGICEOWBIX-UHFFFAOYSA-N 0 0 223.316 3.587 20 30 BHEDRN N#Cc1ccc(F)cc1CSC1CCCC1 ZINC000229949463 388805873 /nfs/dbraw/zinc/80/58/73/388805873.db2.gz BKLZDJRHSWSZCM-UHFFFAOYSA-N 0 0 235.327 3.873 20 30 BHEDRN CC(C)[C@@H](C)SCc1cc(F)ccc1C#N ZINC000229950277 384334912 /nfs/dbraw/zinc/33/49/12/384334912.db2.gz IUZHDJACCGFKFM-SNVBAGLBSA-N 0 0 237.343 3.975 20 30 BHEDRN CC(C)[C@H](C)SCc1cc(F)ccc1C#N ZINC000229950282 259644543 /nfs/dbraw/zinc/64/45/43/259644543.db2.gz IUZHDJACCGFKFM-JTQLQIEISA-N 0 0 237.343 3.975 20 30 BHEDRN CC(C)(C#N)CCNc1cc(F)cc(Cl)c1 ZINC000230001112 385700252 /nfs/dbraw/zinc/70/02/52/385700252.db2.gz UGFGBKXUMCGAHU-UHFFFAOYSA-N 0 0 240.709 3.831 20 30 BHEDRN C=C(C)CCNc1cc(F)cc(Cl)c1 ZINC000230003660 388810272 /nfs/dbraw/zinc/81/02/72/388810272.db2.gz XTCGVNGUWDADCF-UHFFFAOYSA-N 0 0 213.683 3.857 20 30 BHEDRN N#CCC1(CNc2cc(F)cc(Cl)c2)CC1 ZINC000230009242 369415799 /nfs/dbraw/zinc/41/57/99/369415799.db2.gz VOOCBQHZYMGMCJ-UHFFFAOYSA-N 0 0 238.693 3.585 20 30 BHEDRN CSCCCCCCNc1ccc(C#N)cc1 ZINC000230097552 641026733 /nfs/dbraw/zinc/02/67/33/641026733.db2.gz SSCNLCRRBHYLMI-UHFFFAOYSA-N 0 0 248.395 3.894 20 30 BHEDRN CCCC1(CNc2ccc(C#N)cc2)CC1 ZINC000230149714 359802179 /nfs/dbraw/zinc/80/21/79/359802179.db2.gz FYYHKJHLQYQVSO-UHFFFAOYSA-N 0 0 214.312 3.550 20 30 BHEDRN CC(C)(C#N)CCOc1cnc2ccccc2c1 ZINC000230222861 387250421 /nfs/dbraw/zinc/25/04/21/387250421.db2.gz AQVVKTCXEZQMKW-UHFFFAOYSA-N 0 0 240.306 3.553 20 30 BHEDRN C=C(C)CCOc1cnc2ccccc2c1 ZINC000230222877 259647100 /nfs/dbraw/zinc/64/71/00/259647100.db2.gz DNHFOYJVDYJKGF-UHFFFAOYSA-N 0 0 213.280 3.580 20 30 BHEDRN C=C(C)CNc1cc(C)cc(Br)c1 ZINC000230224743 371873031 /nfs/dbraw/zinc/87/30/31/371873031.db2.gz NDDRIRVRYBHCTG-UHFFFAOYSA-N 0 0 240.144 3.746 20 30 BHEDRN C=CCCNc1cc(C)cc(Br)c1 ZINC000230225104 388363556 /nfs/dbraw/zinc/36/35/56/388363556.db2.gz COGQWPOMDDORMU-UHFFFAOYSA-N 0 0 240.144 3.746 20 30 BHEDRN C#CCCSCc1ccccc1Cl ZINC000230306532 641046148 /nfs/dbraw/zinc/04/61/48/641046148.db2.gz NJXCSDNEISXVEV-UHFFFAOYSA-N 0 0 210.729 3.597 20 30 BHEDRN Cc1ccc(F)cc1OCc1ccccc1C#N ZINC000230402671 386185471 /nfs/dbraw/zinc/18/54/71/386185471.db2.gz MWELXXOULHGSAB-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1ccc(F)cc1OCc1ccc(C#N)cc1 ZINC000230402710 259647578 /nfs/dbraw/zinc/64/75/78/259647578.db2.gz MMSBJFSSKXXGLF-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1ccc(F)cc1OCc1cccc(C#N)c1 ZINC000230402992 388637305 /nfs/dbraw/zinc/63/73/05/388637305.db2.gz VWLPYKGKVLYZGI-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN Cc1ccc(F)cc1Oc1cccc(F)c1C#N ZINC000230405799 369439169 /nfs/dbraw/zinc/43/91/69/369439169.db2.gz IYZWILFQDKFMRD-UHFFFAOYSA-N 0 0 245.228 3.937 20 30 BHEDRN C=C(Cl)CN[C@@H](C)c1csc(Cl)c1 ZINC000230410781 641050887 /nfs/dbraw/zinc/05/08/87/641050887.db2.gz KDTMMMGWWMNTRW-ZETCQYMHSA-N 0 0 236.167 3.805 20 30 BHEDRN C=C(Cl)CN[C@H](C)c1csc(Cl)c1 ZINC000230410785 641052086 /nfs/dbraw/zinc/05/20/86/641052086.db2.gz KDTMMMGWWMNTRW-SSDOTTSWSA-N 0 0 236.167 3.805 20 30 BHEDRN Cc1ccc(C#N)c(Oc2cc(F)ccc2C)n1 ZINC000230442854 351276410 /nfs/dbraw/zinc/27/64/10/351276410.db2.gz WEFYRVKIZAXJIF-UHFFFAOYSA-N 0 0 242.253 3.502 20 30 BHEDRN N#Cc1ccccc1/C=C\c1nc2ccccc2o1 ZINC000230547797 352003848 /nfs/dbraw/zinc/00/38/48/352003848.db2.gz NJUGEOGJSKRVRN-KTKRTIGZSA-N 0 0 246.269 3.870 20 30 BHEDRN CCCCCCCCC(=O)OCC(F)(F)F ZINC000230616308 641074440 /nfs/dbraw/zinc/07/44/40/641074440.db2.gz KSORKMKCEHMIKG-UHFFFAOYSA-N 0 0 240.265 3.843 20 30 BHEDRN CC(C)C1CCN(c2ccc(C#N)cc2F)CC1 ZINC000230914588 371975042 /nfs/dbraw/zinc/97/50/42/371975042.db2.gz PTLXSMRKNAVFIA-UHFFFAOYSA-N 0 0 246.329 3.570 20 30 BHEDRN CC(C)C1CCN(c2cccc(F)c2C#N)CC1 ZINC000230914593 349973964 /nfs/dbraw/zinc/97/39/64/349973964.db2.gz HDVRMXBWBYRXBB-UHFFFAOYSA-N 0 0 246.329 3.570 20 30 BHEDRN C#CCCCNc1ccnc2cc(Cl)ccc21 ZINC000230919988 641114073 /nfs/dbraw/zinc/11/40/73/641114073.db2.gz ROOMKUQZIQMBDS-UHFFFAOYSA-N 0 0 244.725 3.714 20 30 BHEDRN CCC(CC)(CNc1ccc(C#N)cc1)SC ZINC000230920570 641114305 /nfs/dbraw/zinc/11/43/05/641114305.db2.gz KDDJEDHLQJBFHN-UHFFFAOYSA-N 0 0 248.395 3.892 20 30 BHEDRN CC(C)CCSc1ccc(C#N)cc1 ZINC000230921263 398321782 /nfs/dbraw/zinc/32/17/82/398321782.db2.gz JOTJGRPPSJQHIL-UHFFFAOYSA-N 0 0 205.326 3.696 20 30 BHEDRN CC(C)CCSc1cccc(F)c1C#N ZINC000230921287 371975755 /nfs/dbraw/zinc/97/57/55/371975755.db2.gz ASKXZNMWQIKXOS-UHFFFAOYSA-N 0 0 223.316 3.836 20 30 BHEDRN CC(C)[C@@H](C)Sc1ccc(C#N)cc1 ZINC000230923533 385884110 /nfs/dbraw/zinc/88/41/10/385884110.db2.gz MIMYIZJNHLTYID-SNVBAGLBSA-N 0 0 205.326 3.695 20 30 BHEDRN CC(C)[C@H](C)Sc1ccc(C#N)cc1 ZINC000230923537 385883939 /nfs/dbraw/zinc/88/39/39/385883939.db2.gz MIMYIZJNHLTYID-JTQLQIEISA-N 0 0 205.326 3.695 20 30 BHEDRN CC(C)[C@@H](C)Sc1cccc(F)c1C#N ZINC000230923564 350057219 /nfs/dbraw/zinc/05/72/19/350057219.db2.gz LAYVJHKIYYCWGF-SECBINFHSA-N 0 0 223.316 3.834 20 30 BHEDRN CC(C)[C@H](C)Sc1cccc(F)c1C#N ZINC000230923568 350056790 /nfs/dbraw/zinc/05/67/90/350056790.db2.gz LAYVJHKIYYCWGF-VIFPVBQESA-N 0 0 223.316 3.834 20 30 BHEDRN CC(C)(C#N)CCOc1cccc2ncccc21 ZINC000231098257 166501254 /nfs/dbraw/zinc/50/12/54/166501254.db2.gz HEBRLKJWTGXDKL-UHFFFAOYSA-N 0 0 240.306 3.553 20 30 BHEDRN CCCCCCCCC(=O)OCc1cccnc1 ZINC000231173212 641142010 /nfs/dbraw/zinc/14/20/10/641142010.db2.gz JGUBTEHTHZTOAW-UHFFFAOYSA-N 0 0 249.354 3.875 20 30 BHEDRN CCCCCCCCS[C@@H](C)[C@@H](C)O ZINC000231174350 641142791 /nfs/dbraw/zinc/14/27/91/641142791.db2.gz TUKKHKNLTMURAF-NEPJUHHUSA-N 0 0 218.406 3.849 20 30 BHEDRN CCCCCCCCS[C@H](C)[C@@H](C)O ZINC000231174359 641142172 /nfs/dbraw/zinc/14/21/72/641142172.db2.gz TUKKHKNLTMURAF-VXGBXAGGSA-N 0 0 218.406 3.849 20 30 BHEDRN CCCCCCCCS[C@@H](C)[C@H](C)O ZINC000231174374 641143090 /nfs/dbraw/zinc/14/30/90/641143090.db2.gz TUKKHKNLTMURAF-RYUDHWBXSA-N 0 0 218.406 3.849 20 30 BHEDRN CCCCCCCCS[C@H](C)[C@H](C)O ZINC000231174391 641142430 /nfs/dbraw/zinc/14/24/30/641142430.db2.gz TUKKHKNLTMURAF-NWDGAFQWSA-N 0 0 218.406 3.849 20 30 BHEDRN CC(C)[C@@H](C)SCCOc1cccc(C#N)c1 ZINC000231192381 387355720 /nfs/dbraw/zinc/35/57/20/387355720.db2.gz APJCNJVSSHYPJV-GFCCVEGCSA-N 0 0 249.379 3.715 20 30 BHEDRN CC(C)[C@H](C)SCCOc1cccc(C#N)c1 ZINC000231192388 387355044 /nfs/dbraw/zinc/35/50/44/387355044.db2.gz APJCNJVSSHYPJV-LBPRGKRZSA-N 0 0 249.379 3.715 20 30 BHEDRN CC(C)[C@@H](C)SCc1ccc(C#N)cc1 ZINC000231192403 387355651 /nfs/dbraw/zinc/35/56/51/387355651.db2.gz CJPQEEPYRNHLNU-LLVKDONJSA-N 0 0 219.353 3.836 20 30 BHEDRN CC(C)[C@H](C)SCc1ccc(C#N)cc1 ZINC000231192412 259651335 /nfs/dbraw/zinc/65/13/35/259651335.db2.gz 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C=C(C)C[C@H](C)C(=O)N1C[C@H](C)[C@@H]2CCCC[C@H]21 ZINC000248618109 323026752 /nfs/dbraw/zinc/02/67/52/323026752.db2.gz JSRXYHJRXWPJJI-ZQDZILKHSA-N 0 0 249.398 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000248623618 323028635 /nfs/dbraw/zinc/02/86/35/323028635.db2.gz MVGDVNZAGFKPQV-GBJTYRQASA-N 0 0 249.398 3.768 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000248623620 323028625 /nfs/dbraw/zinc/02/86/25/323028625.db2.gz MVGDVNZAGFKPQV-LJISPDSOSA-N 0 0 249.398 3.768 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000248628370 323028658 /nfs/dbraw/zinc/02/86/58/323028658.db2.gz PKNVZGBUVUDGAL-RFQIPJPRSA-N 0 0 237.387 3.530 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000248628371 323028675 /nfs/dbraw/zinc/02/86/75/323028675.db2.gz PKNVZGBUVUDGAL-RQJABVFESA-N 0 0 237.387 3.530 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000248629269 323028624 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C=C[C@](C)(CC)C(=O)N1CCC[C@H]2CCCC[C@H]21 ZINC000248801570 388694635 /nfs/dbraw/zinc/69/46/35/388694635.db2.gz GBLPUGONMGBPMW-IIAWOOMASA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N1CCC[C@@H]2CCCC[C@H]21 ZINC000248801575 322869449 /nfs/dbraw/zinc/86/94/49/322869449.db2.gz GBLPUGONMGBPMW-SQWLQELKSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CCC1(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)CCC1 ZINC000248810368 388694444 /nfs/dbraw/zinc/69/44/44/388694444.db2.gz SJWXRDCVMJNXKI-HZSPNIEDSA-N 0 0 249.398 3.674 20 30 BHEDRN C=CCC1(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CCC1 ZINC000248810370 325621947 /nfs/dbraw/zinc/62/19/47/325621947.db2.gz SJWXRDCVMJNXKI-MELADBBJSA-N 0 0 249.398 3.674 20 30 BHEDRN C=CCC1(C(=O)N[C@H]2C[C@H](C)C[C@H](C)C2)CCC1 ZINC000248861167 517321349 /nfs/dbraw/zinc/32/13/49/517321349.db2.gz AJWCUAQKZRAYDU-WDNDVIMCSA-N 0 0 249.398 3.674 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000248888368 384902297 /nfs/dbraw/zinc/90/22/97/384902297.db2.gz 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ZINC000273974607 538928814 /nfs/dbraw/zinc/92/88/14/538928814.db2.gz XXLMSULFOKPDOF-HNNXBMFYSA-N 0 0 243.350 3.706 20 30 BHEDRN C=CCCC(=O)N1CCCC[C@@H]1c1ccccc1 ZINC000273974611 538928528 /nfs/dbraw/zinc/92/85/28/538928528.db2.gz XXLMSULFOKPDOF-OAHLLOKOSA-N 0 0 243.350 3.706 20 30 BHEDRN FC(F)c1ccc(CON=C2CCC2)cc1 ZINC000274008005 351556666 /nfs/dbraw/zinc/55/66/66/351556666.db2.gz AVWSPGOBXRNDQX-UHFFFAOYSA-N 0 0 225.238 3.681 20 30 BHEDRN C=CCCO[C@@H](C)c1nc(C(CC)CC)no1 ZINC000274020447 166274654 /nfs/dbraw/zinc/27/46/54/166274654.db2.gz SCCJVVWHKVOMJP-JTQLQIEISA-N 0 0 238.331 3.627 20 30 BHEDRN C=CCCO[C@H](C)c1nc(C(CC)CC)no1 ZINC000274020449 166275919 /nfs/dbraw/zinc/27/59/19/166275919.db2.gz SCCJVVWHKVOMJP-SNVBAGLBSA-N 0 0 238.331 3.627 20 30 BHEDRN C=CCC[C@@H](CC)Nc1cccc(OCC#N)c1 ZINC000274042677 136284224 /nfs/dbraw/zinc/28/42/24/136284224.db2.gz AXDIDBVNIBRGPD-CYBMUJFWSA-N 0 0 244.338 3.746 20 30 BHEDRN C=CCC[C@H](CC)Nc1cccc(OCC#N)c1 ZINC000274042682 136284601 /nfs/dbraw/zinc/28/46/01/136284601.db2.gz AXDIDBVNIBRGPD-ZDUSSCGKSA-N 0 0 244.338 3.746 20 30 BHEDRN CCC(CC)c1noc(-c2ccc(C#N)cc2)n1 ZINC000274099474 388642932 /nfs/dbraw/zinc/64/29/32/388642932.db2.gz ZCSDNQSCKXOVOF-UHFFFAOYSA-N 0 0 241.294 3.512 20 30 BHEDRN Cc1ccc2c(C)cc(NCCCC#N)nc2c1 ZINC000274108773 136284692 /nfs/dbraw/zinc/28/46/92/136284692.db2.gz XZQRLTRRTGSJIJ-UHFFFAOYSA-N 0 0 239.322 3.567 20 30 BHEDRN C=CCCCc1nc([C@@H]2CCCCS2)no1 ZINC000274183517 166248542 /nfs/dbraw/zinc/24/85/42/166248542.db2.gz ZMMXVZWCUBLOTR-JTQLQIEISA-N 0 0 238.356 3.537 20 30 BHEDRN C=CCCCc1nc([C@H]2CCCCS2)no1 ZINC000274183520 166248943 /nfs/dbraw/zinc/24/89/43/166248943.db2.gz ZMMXVZWCUBLOTR-SNVBAGLBSA-N 0 0 238.356 3.537 20 30 BHEDRN Cc1cscc1N[C@@H]1CCC[C@@H](C#N)C1 ZINC000274249343 136375363 /nfs/dbraw/zinc/37/53/63/136375363.db2.gz YLWDOKCJPOFDFR-GHMZBOCLSA-N 0 0 220.341 3.551 20 30 BHEDRN Cc1cscc1N[C@H]1CCC[C@@H](C#N)C1 ZINC000274249347 136375359 /nfs/dbraw/zinc/37/53/59/136375359.db2.gz YLWDOKCJPOFDFR-MNOVXSKESA-N 0 0 220.341 3.551 20 30 BHEDRN Cc1cscc1N[C@H]1CCC[C@H](C#N)C1 ZINC000274249350 136375358 /nfs/dbraw/zinc/37/53/58/136375358.db2.gz YLWDOKCJPOFDFR-QWRGUYRKSA-N 0 0 220.341 3.551 20 30 BHEDRN Cc1cscc1N[C@@H]1CCC[C@H](C#N)C1 ZINC000274249354 136375315 /nfs/dbraw/zinc/37/53/15/136375315.db2.gz YLWDOKCJPOFDFR-WDEREUQCSA-N 0 0 220.341 3.551 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cccc(F)c1F ZINC000274258049 387467840 /nfs/dbraw/zinc/46/78/40/387467840.db2.gz AXNZIZKSFIEBOT-SECBINFHSA-N 0 0 239.265 3.506 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cccc(F)c1F ZINC000274258051 387465844 /nfs/dbraw/zinc/46/58/44/387465844.db2.gz AXNZIZKSFIEBOT-VIFPVBQESA-N 0 0 239.265 3.506 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(C)Cc1cccc(C)c1 ZINC000274264486 387468002 /nfs/dbraw/zinc/46/80/02/387468002.db2.gz DIKSVIITAKHISN-AWEZNQCLSA-N 0 0 245.366 3.556 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(C)Cc1cccc(C)c1 ZINC000274264488 387468471 /nfs/dbraw/zinc/46/84/71/387468471.db2.gz DIKSVIITAKHISN-CQSZACIVSA-N 0 0 245.366 3.556 20 30 BHEDRN CC#CCCCC(=O)Nc1c(C)cccc1Cl ZINC000274271531 487508206 /nfs/dbraw/zinc/50/82/06/487508206.db2.gz BIKCUGYXYZGFTQ-UHFFFAOYSA-N 0 0 249.741 3.781 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(CC)c1ccccc1F ZINC000274282875 323637329 /nfs/dbraw/zinc/63/73/29/323637329.db2.gz KZYTWAIEDMLJJI-GFCCVEGCSA-N 0 0 249.329 3.781 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(CC)c1ccccc1F ZINC000274282877 192399946 /nfs/dbraw/zinc/39/99/46/192399946.db2.gz KZYTWAIEDMLJJI-LBPRGKRZSA-N 0 0 249.329 3.781 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000274298551 387466423 /nfs/dbraw/zinc/46/64/23/387466423.db2.gz RUVANQPYXJCCBL-KBPBESRZSA-N 0 0 245.366 3.509 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 ZINC000274298552 187401196 /nfs/dbraw/zinc/40/11/96/187401196.db2.gz RUVANQPYXJCCBL-KGLIPLIRSA-N 0 0 245.366 3.509 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000274298554 387467042 /nfs/dbraw/zinc/46/70/42/387467042.db2.gz RUVANQPYXJCCBL-UONOGXRCSA-N 0 0 245.366 3.509 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000274298556 387466814 /nfs/dbraw/zinc/46/68/14/387466814.db2.gz RUVANQPYXJCCBL-ZIAGYGMSSA-N 0 0 245.366 3.509 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(Cc1ccco1)C(C)C ZINC000274299621 387466664 /nfs/dbraw/zinc/46/66/64/387466664.db2.gz RZXVGVXMYBVMPH-CYBMUJFWSA-N 0 0 249.354 3.619 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(Cc1ccco1)C(C)C ZINC000274299623 487508199 /nfs/dbraw/zinc/50/81/99/487508199.db2.gz RZXVGVXMYBVMPH-ZDUSSCGKSA-N 0 0 249.354 3.619 20 30 BHEDRN C=C(C)C[C@H](C)c1nc(-c2ccc(O)cc2)no1 ZINC000274317185 188091836 /nfs/dbraw/zinc/09/18/36/188091836.db2.gz HKOWVYLAZYIZQX-JTQLQIEISA-N 0 0 244.294 3.512 20 30 BHEDRN C=C(C)C[C@@H](C)c1nc(-c2ccc(O)cc2)no1 ZINC000274317187 387472682 /nfs/dbraw/zinc/47/26/82/387472682.db2.gz HKOWVYLAZYIZQX-SNVBAGLBSA-N 0 0 244.294 3.512 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1c(C)cccc1F ZINC000274329259 387473474 /nfs/dbraw/zinc/47/34/74/387473474.db2.gz MITJBXXRVVISAW-LLVKDONJSA-N 0 0 235.302 3.675 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1c(C)cccc1F ZINC000274329263 188092897 /nfs/dbraw/zinc/09/28/97/188092897.db2.gz MITJBXXRVVISAW-NSHDSACASA-N 0 0 235.302 3.675 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000274374003 187401000 /nfs/dbraw/zinc/40/10/00/187401000.db2.gz XBWJXHBOLRSWCP-CYBMUJFWSA-N 0 0 249.398 3.794 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000274374006 387473355 /nfs/dbraw/zinc/47/33/55/387473355.db2.gz XBWJXHBOLRSWCP-ZDUSSCGKSA-N 0 0 249.398 3.794 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cscc1C ZINC000274375303 387470903 /nfs/dbraw/zinc/47/09/03/387470903.db2.gz XHZWGPOZUSXQOE-SECBINFHSA-N 0 0 223.341 3.597 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cscc1C ZINC000274375304 387473785 /nfs/dbraw/zinc/47/37/85/387473785.db2.gz XHZWGPOZUSXQOE-VIFPVBQESA-N 0 0 223.341 3.597 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NC(C)(C)c1ccccc1 ZINC000274375324 192403632 /nfs/dbraw/zinc/40/36/32/192403632.db2.gz XKAZTTSNZKIYGX-CYBMUJFWSA-N 0 0 245.366 3.640 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NC(C)(C)c1ccccc1 ZINC000274375325 192402413 /nfs/dbraw/zinc/40/24/13/192402413.db2.gz XKAZTTSNZKIYGX-ZDUSSCGKSA-N 0 0 245.366 3.640 20 30 BHEDRN C=CCCCCNC(=O)Nc1c(C)cccc1C ZINC000274440802 387476413 /nfs/dbraw/zinc/47/64/13/387476413.db2.gz AXMLBROSAPTTSV-UHFFFAOYSA-N 0 0 246.354 3.781 20 30 BHEDRN C[C@H](CCC1CC1)Nc1cccc(OCC#N)c1 ZINC000274449912 351569814 /nfs/dbraw/zinc/56/98/14/351569814.db2.gz SGAAIKXWEOULKO-GFCCVEGCSA-N 0 0 244.338 3.580 20 30 BHEDRN C[C@@H](CCC1CC1)Nc1cccc(OCC#N)c1 ZINC000274449916 351569682 /nfs/dbraw/zinc/56/96/82/351569682.db2.gz SGAAIKXWEOULKO-LBPRGKRZSA-N 0 0 244.338 3.580 20 30 BHEDRN C=C(Cl)CN[C@H](C)c1csc(C(C)C)n1 ZINC000274499928 387479123 /nfs/dbraw/zinc/47/91/23/387479123.db2.gz UXBLRDIUZYOUAP-SECBINFHSA-N 0 0 244.791 3.670 20 30 BHEDRN C=C(C)CCSc1ccc(NC(C)=O)cc1 ZINC000274724071 187238398 /nfs/dbraw/zinc/23/83/98/187238398.db2.gz JCBCACRUIFBFKF-UHFFFAOYSA-N 0 0 235.352 3.703 20 30 BHEDRN C=C(C)CCSc1nccc(C(F)(F)F)n1 ZINC000274739765 187402122 /nfs/dbraw/zinc/40/21/22/187402122.db2.gz LGASTPGOZIXIAY-UHFFFAOYSA-N 0 0 248.273 3.554 20 30 BHEDRN C=C(C)CCSc1nccn1C(C)C ZINC000274758468 386147549 /nfs/dbraw/zinc/14/75/49/386147549.db2.gz QINGQDRZHRMUHV-UHFFFAOYSA-N 0 0 210.346 3.522 20 30 BHEDRN C=C(C)CCSc1nnc(SCC)s1 ZINC000274761841 188265264 /nfs/dbraw/zinc/26/52/64/188265264.db2.gz SSOYUOHWLYJAJY-UHFFFAOYSA-N 0 0 246.426 3.708 20 30 BHEDRN C=C(C)CCSc1nnc(C2CC2)n1C1CC1 ZINC000274786285 387491516 /nfs/dbraw/zinc/49/15/16/387491516.db2.gz ZKCFLDUNSYPOBK-UHFFFAOYSA-N 0 0 249.383 3.549 20 30 BHEDRN C=CCCCCNC(=O)Nc1cscc1C ZINC000274827881 188264720 /nfs/dbraw/zinc/26/47/20/188264720.db2.gz QEILLBGLIFKMSM-UHFFFAOYSA-N 0 0 238.356 3.534 20 30 BHEDRN C=C(C)CCSc1ccc(C(F)(F)F)nn1 ZINC000275047988 387497595 /nfs/dbraw/zinc/49/75/95/387497595.db2.gz XMKFXAMGZHBPLN-UHFFFAOYSA-N 0 0 248.273 3.554 20 30 BHEDRN C=CC[C@H](C(=O)N(CC)CCC)c1ccccc1 ZINC000275129276 387500582 /nfs/dbraw/zinc/50/05/82/387500582.db2.gz XSLUEBJNGRMNOT-HNNXBMFYSA-N 0 0 245.366 3.605 20 30 BHEDRN C=CC[C@@H](C(=O)N(CC)CCC)c1ccccc1 ZINC000275129277 387500982 /nfs/dbraw/zinc/50/09/82/387500982.db2.gz XSLUEBJNGRMNOT-OAHLLOKOSA-N 0 0 245.366 3.605 20 30 BHEDRN Fc1cc(Cl)ccc1CON=C1CCC1 ZINC000275546096 133549477 /nfs/dbraw/zinc/54/94/77/133549477.db2.gz UDODNKFGMSNKRY-UHFFFAOYSA-N 0 0 227.666 3.536 20 30 BHEDRN CC[C@H](C#N)Sc1ccc(F)c(Cl)c1 ZINC000275559589 351601331 /nfs/dbraw/zinc/60/13/31/351601331.db2.gz FMMOFHLHAYHHIU-SSDOTTSWSA-N 0 0 229.707 3.873 20 30 BHEDRN CC[C@@H](C#N)Sc1ccc(F)c(Cl)c1 ZINC000275559593 351601019 /nfs/dbraw/zinc/60/10/19/351601019.db2.gz FMMOFHLHAYHHIU-ZETCQYMHSA-N 0 0 229.707 3.873 20 30 BHEDRN C=CCCNc1cccc(C(C)(F)F)c1 ZINC000275567341 166266831 /nfs/dbraw/zinc/26/68/31/166266831.db2.gz GDGOEQPNQPGAFJ-UHFFFAOYSA-N 0 0 211.255 3.786 20 30 BHEDRN CC[C@H](C#N)S[C@H](C)c1ccccc1OC ZINC000275644331 351601928 /nfs/dbraw/zinc/60/19/28/351601928.db2.gz JOXJHGZAJIJLFJ-GHMZBOCLSA-N 0 0 235.352 3.792 20 30 BHEDRN CC[C@@H](C#N)S[C@H](C)c1ccccc1OC ZINC000275644333 133549395 /nfs/dbraw/zinc/54/93/95/133549395.db2.gz JOXJHGZAJIJLFJ-MNOVXSKESA-N 0 0 235.352 3.792 20 30 BHEDRN CC[C@@H](C#N)S[C@@H](C)c1ccccc1OC ZINC000275644335 133549489 /nfs/dbraw/zinc/54/94/89/133549489.db2.gz JOXJHGZAJIJLFJ-QWRGUYRKSA-N 0 0 235.352 3.792 20 30 BHEDRN CC[C@H](C#N)S[C@@H](C)c1ccccc1OC ZINC000275644338 351602668 /nfs/dbraw/zinc/60/26/68/351602668.db2.gz JOXJHGZAJIJLFJ-WDEREUQCSA-N 0 0 235.352 3.792 20 30 BHEDRN Fc1ccc(Cl)c(CON=C2CCC2)c1 ZINC000275697084 351603633 /nfs/dbraw/zinc/60/36/33/351603633.db2.gz JXJDMHSHVKCMNU-UHFFFAOYSA-N 0 0 227.666 3.536 20 30 BHEDRN C#CCCCNc1cccc(C(C)(F)F)c1 ZINC000275803801 388345747 /nfs/dbraw/zinc/34/57/47/388345747.db2.gz XBMBZPMMOISEIJ-UHFFFAOYSA-N 0 0 223.266 3.624 20 30 BHEDRN C=CCCN(C)C(=O)Nc1cccc(C(C)C)c1 ZINC000275972419 166251673 /nfs/dbraw/zinc/25/16/73/166251673.db2.gz ACPJVHCPKBBDMD-UHFFFAOYSA-N 0 0 246.354 3.850 20 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C=C[C@](C)(CC)C(=O)NC[C@@H](C)c1ccccc1 ZINC000276087384 188093151 /nfs/dbraw/zinc/09/31/51/188093151.db2.gz TWJQFJIKCKAKIH-CZUORRHYSA-N 0 0 245.366 3.509 20 30 BHEDRN Fc1ccc(CON=C2CCC2)cc1Cl ZINC000276087386 351610340 /nfs/dbraw/zinc/61/03/40/351610340.db2.gz PNPGUQVCXFJOSP-UHFFFAOYSA-N 0 0 227.666 3.536 20 30 BHEDRN C=C[C@](C)(CC)C(=O)NC[C@H](C)c1ccccc1 ZINC000276087388 387517227 /nfs/dbraw/zinc/51/72/27/387517227.db2.gz TWJQFJIKCKAKIH-XJKSGUPXSA-N 0 0 245.366 3.509 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N(C)Cc1ccccc1C ZINC000276094301 387516775 /nfs/dbraw/zinc/51/67/75/387516775.db2.gz ZNAFMXRVZFJMBQ-INIZCTEOSA-N 0 0 245.366 3.556 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N(C)Cc1ccccc1C ZINC000276094303 187919190 /nfs/dbraw/zinc/91/91/90/187919190.db2.gz ZNAFMXRVZFJMBQ-MRXNPFEDSA-N 0 0 245.366 3.556 20 30 BHEDRN Fc1c(Cl)cccc1CON=C1CCC1 ZINC000276095885 351610446 /nfs/dbraw/zinc/61/04/46/351610446.db2.gz NGADIOUHXMZIMS-UHFFFAOYSA-N 0 0 227.666 3.536 20 30 BHEDRN Fc1ccc(Cl)cc1CON=C1CCC1 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ZINC000280210637 353419266 /nfs/dbraw/zinc/41/92/66/353419266.db2.gz QCDGSBPNGLYCGP-KPKJPENVSA-N 0 0 243.350 3.562 20 30 BHEDRN N#Cc1c(F)cccc1SCCC(F)(F)F ZINC000280305391 181077283 /nfs/dbraw/zinc/07/72/83/181077283.db2.gz RRQFQGMKBJXRQW-UHFFFAOYSA-N 0 0 249.232 3.742 20 30 BHEDRN C=CCCCNc1cccc(NC(=O)OC)c1C ZINC000280530399 166244271 /nfs/dbraw/zinc/24/42/71/166244271.db2.gz BUDFMUWYVLLVAR-UHFFFAOYSA-N 0 0 248.326 3.551 20 30 BHEDRN Cc1cccc2nc(NCCCCC#N)sc21 ZINC000280701843 179232034 /nfs/dbraw/zinc/23/20/34/179232034.db2.gz KJXIBFWFNHDFQK-UHFFFAOYSA-N 0 0 245.351 3.711 20 30 BHEDRN N#CCCCOc1ccc(C(F)(F)F)cc1F ZINC000281110924 351876390 /nfs/dbraw/zinc/87/63/90/351876390.db2.gz GLGWYEGXGJPJJS-UHFFFAOYSA-N 0 0 247.191 3.527 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)c1coc2ccccc21 ZINC000281129032 135501891 /nfs/dbraw/zinc/50/18/91/135501891.db2.gz TYLIFMSVTDGILR-LLVKDONJSA-N 0 0 243.306 3.517 20 30 BHEDRN C=CC[C@H](CC)NC(=O)c1coc2ccccc21 ZINC000281129034 135501781 /nfs/dbraw/zinc/50/17/81/135501781.db2.gz TYLIFMSVTDGILR-NSHDSACASA-N 0 0 243.306 3.517 20 30 BHEDRN C=CCCC(=O)N[C@@H](C)c1ccc(SC)cc1 ZINC000281140807 353432066 /nfs/dbraw/zinc/43/20/66/353432066.db2.gz VEURYCKGCKRYLO-NSHDSACASA-N 0 0 249.379 3.552 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@@H](CC)c1ccccc1 ZINC000281146735 353434317 /nfs/dbraw/zinc/43/43/17/353434317.db2.gz VRKLDMLUFAFPEA-CABCVRRESA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@@H](CC)c1ccccc1 ZINC000281146740 353432049 /nfs/dbraw/zinc/43/20/49/353432049.db2.gz VRKLDMLUFAFPEA-GJZGRUSLSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@H](CC)c1ccccc1 ZINC000281146742 135502012 /nfs/dbraw/zinc/50/20/12/135502012.db2.gz VRKLDMLUFAFPEA-HUUCEWRRSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@H](CC)c1ccccc1 ZINC000281146745 353428530 /nfs/dbraw/zinc/42/85/30/353428530.db2.gz VRKLDMLUFAFPEA-LSDHHAIUSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)Nc1cc(C)ccc1C ZINC000281204521 353438961 /nfs/dbraw/zinc/43/89/61/353438961.db2.gz BYNRJTMDESOHRV-CYBMUJFWSA-N 0 0 246.354 3.780 20 30 BHEDRN C=CC[C@H](CC)NC(=O)Nc1cc(C)ccc1C ZINC000281204523 534376503 /nfs/dbraw/zinc/37/65/03/534376503.db2.gz BYNRJTMDESOHRV-ZDUSSCGKSA-N 0 0 246.354 3.780 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)Nc1cccc(C)c1C ZINC000281220127 353438716 /nfs/dbraw/zinc/43/87/16/353438716.db2.gz DAFWJPWRCMOZJY-CYBMUJFWSA-N 0 0 246.354 3.780 20 30 BHEDRN C=CC[C@H](CC)NC(=O)Nc1cccc(C)c1C ZINC000281220131 534375148 /nfs/dbraw/zinc/37/51/48/534375148.db2.gz DAFWJPWRCMOZJY-ZDUSSCGKSA-N 0 0 246.354 3.780 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)c1cc2ccccc2o1 ZINC000281229401 136227658 /nfs/dbraw/zinc/22/76/58/136227658.db2.gz DVLWXFBMYLXEGE-GFCCVEGCSA-N 0 0 243.306 3.517 20 30 BHEDRN C=CC[C@H](CC)NC(=O)c1cc2ccccc2o1 ZINC000281229403 353438843 /nfs/dbraw/zinc/43/88/43/353438843.db2.gz DVLWXFBMYLXEGE-LBPRGKRZSA-N 0 0 243.306 3.517 20 30 BHEDRN C=CC[C@H](CC)NC(=O)Nc1cscc1C ZINC000281297032 386385636 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/nfs/dbraw/zinc/62/51/56/534625156.db2.gz VEURYCKGCKRYLO-LLVKDONJSA-N 0 0 249.379 3.552 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)Nc1ccc(C)cc1C ZINC000281421240 353447437 /nfs/dbraw/zinc/44/74/37/353447437.db2.gz QWZVBPRQUIIWOD-CYBMUJFWSA-N 0 0 246.354 3.780 20 30 BHEDRN C=CC[C@H](CC)NC(=O)Nc1ccc(C)cc1C ZINC000281421243 353447514 /nfs/dbraw/zinc/44/75/14/353447514.db2.gz QWZVBPRQUIIWOD-ZDUSSCGKSA-N 0 0 246.354 3.780 20 30 BHEDRN C=CC[C@@H](CC)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000281463568 135370169 /nfs/dbraw/zinc/37/01/69/135370169.db2.gz DYFHWNBYNUCMRV-CMPLNLGQSA-N 0 0 237.318 3.537 20 30 BHEDRN C=CC[C@H](CC)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000281463571 534379905 /nfs/dbraw/zinc/37/99/05/534379905.db2.gz DYFHWNBYNUCMRV-JQWIXIFHSA-N 0 0 237.318 3.537 20 30 BHEDRN C=CC[C@H](CC)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000281463574 346361253 /nfs/dbraw/zinc/36/12/53/346361253.db2.gz DYFHWNBYNUCMRV-PWSUYJOCSA-N 0 0 237.318 3.537 20 30 BHEDRN C=CC[C@@H](CC)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000281463576 135369996 /nfs/dbraw/zinc/36/99/96/135369996.db2.gz DYFHWNBYNUCMRV-ZYHUDNBSSA-N 0 0 237.318 3.537 20 30 BHEDRN C=CCOc1ccc(OCCC(C)(C)C#N)cc1 ZINC000281723009 351905799 /nfs/dbraw/zinc/90/57/99/351905799.db2.gz AFXHVWXUICVASM-UHFFFAOYSA-N 0 0 245.322 3.570 20 30 BHEDRN C=CCCC(=O)N[C@H](C)c1ccccc1SC ZINC000281733745 353459039 /nfs/dbraw/zinc/45/90/39/353459039.db2.gz GOEPLMKYODOPOE-LLVKDONJSA-N 0 0 249.379 3.552 20 30 BHEDRN CC(C)(C#N)CCN(C#N)c1ccccc1Cl ZINC000281780488 351909027 /nfs/dbraw/zinc/90/90/27/351909027.db2.gz DQYOJHKPNGUGCL-UHFFFAOYSA-N 0 0 247.729 3.567 20 30 BHEDRN CC(C)(C#N)CCOc1ccc2ncccc2c1 ZINC000281819700 351911226 /nfs/dbraw/zinc/91/12/26/351911226.db2.gz HMXLPXOOKNMLBG-UHFFFAOYSA-N 0 0 240.306 3.553 20 30 BHEDRN CC(C)(C#N)CCOc1ccc(Cl)cc1F ZINC000281848423 534990470 /nfs/dbraw/zinc/99/04/70/534990470.db2.gz JGWXXOULXYSTTJ-UHFFFAOYSA-N 0 0 241.693 3.798 20 30 BHEDRN CC(C)(C#N)CCn1nc(Cl)c2ccccc21 ZINC000281922307 351916408 /nfs/dbraw/zinc/91/64/08/351916408.db2.gz OCDFHWRYOMTXDT-UHFFFAOYSA-N 0 0 247.729 3.630 20 30 BHEDRN CC(C)(C#N)CCn1ccc(-c2cccs2)n1 ZINC000282068731 351922805 /nfs/dbraw/zinc/92/28/05/351922805.db2.gz YWJHILPUMBMWII-UHFFFAOYSA-N 0 0 245.351 3.551 20 30 BHEDRN CC(C)(C#N)CCOc1cc(F)ccc1Cl ZINC000282180048 351925420 /nfs/dbraw/zinc/92/54/20/351925420.db2.gz GDCWVSUEOTXRDM-UHFFFAOYSA-N 0 0 241.693 3.798 20 30 BHEDRN C=CCCN(C)C(=O)c1cccc(C2CCC2)c1 ZINC000282180873 353465098 /nfs/dbraw/zinc/46/50/98/353465098.db2.gz KAQDIFMIKCOIQX-UHFFFAOYSA-N 0 0 243.350 3.602 20 30 BHEDRN CCCC[C@@H](C)C(=O)Nc1cc(C#N)ccc1C ZINC000282246234 398316910 /nfs/dbraw/zinc/31/69/10/398316910.db2.gz SWOJUUKEGWNOKR-GFCCVEGCSA-N 0 0 244.338 3.632 20 30 BHEDRN CCCC[C@H](C)C(=O)Nc1cc(C#N)ccc1C ZINC000282246236 168984904 /nfs/dbraw/zinc/98/49/04/168984904.db2.gz SWOJUUKEGWNOKR-LBPRGKRZSA-N 0 0 244.338 3.632 20 30 BHEDRN C=CC[C@@H](C)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000282251615 346389650 /nfs/dbraw/zinc/38/96/50/346389650.db2.gz QLXQJLGHBRPHRA-GHMZBOCLSA-N 0 0 207.317 3.512 20 30 BHEDRN C=CC[C@@H](C)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000282251618 346389801 /nfs/dbraw/zinc/38/98/01/346389801.db2.gz QLXQJLGHBRPHRA-MNOVXSKESA-N 0 0 207.317 3.512 20 30 BHEDRN C=CC[C@H](C)[NH2+][C@@H](C)c1cc(C)c(C)o1 ZINC000282251621 346389616 /nfs/dbraw/zinc/38/96/16/346389616.db2.gz QLXQJLGHBRPHRA-QWRGUYRKSA-N 0 0 207.317 3.512 20 30 BHEDRN C=CC[C@H](C)[NH2+][C@H](C)c1cc(C)c(C)o1 ZINC000282251626 346389473 /nfs/dbraw/zinc/38/94/73/346389473.db2.gz QLXQJLGHBRPHRA-WDEREUQCSA-N 0 0 207.317 3.512 20 30 BHEDRN CCCC[C@@H](C)C(=O)Nc1ccc(CC#N)cc1 ZINC000282460643 136286361 /nfs/dbraw/zinc/28/63/61/136286361.db2.gz HEMYTSWWELMNKQ-GFCCVEGCSA-N 0 0 244.338 3.517 20 30 BHEDRN CCCC[C@H](C)C(=O)Nc1ccc(CC#N)cc1 ZINC000282460646 136286427 /nfs/dbraw/zinc/28/64/27/136286427.db2.gz HEMYTSWWELMNKQ-LBPRGKRZSA-N 0 0 244.338 3.517 20 30 BHEDRN CC#CC(=O)Nc1ccc(C(C)C)cc1C(C)C ZINC000282681452 353481107 /nfs/dbraw/zinc/48/11/07/353481107.db2.gz JPYHOOKJHDBHNB-UHFFFAOYSA-N 0 0 243.350 3.895 20 30 BHEDRN CC#CC(=O)Nc1ccc(SC(C)(C)C)cc1 ZINC000283064964 353494307 /nfs/dbraw/zinc/49/43/07/353494307.db2.gz DFUGHGJLYODXFP-UHFFFAOYSA-N 0 0 247.363 3.539 20 30 BHEDRN CC#CC(=O)Nc1c(C(C)C)cccc1C(C)C ZINC000283189538 351963142 /nfs/dbraw/zinc/96/31/42/351963142.db2.gz LYHUVASYDJHMKV-UHFFFAOYSA-N 0 0 243.350 3.895 20 30 BHEDRN CO[C@@H](CSCCCCC#N)c1ccccc1 ZINC000283386804 136286645 /nfs/dbraw/zinc/28/66/45/136286645.db2.gz NETCRFRSZVVFKP-AWEZNQCLSA-N 0 0 249.379 3.801 20 30 BHEDRN CO[C@H](CSCCCCC#N)c1ccccc1 ZINC000283386806 136286631 /nfs/dbraw/zinc/28/66/31/136286631.db2.gz NETCRFRSZVVFKP-CQSZACIVSA-N 0 0 249.379 3.801 20 30 BHEDRN N#Cc1ccnc(N[C@@H](c2ccccc2)C2CC2)c1 ZINC000283696351 181157515 /nfs/dbraw/zinc/15/75/15/181157515.db2.gz ZNEYOEMPDURRDT-INIZCTEOSA-N 0 0 249.317 3.516 20 30 BHEDRN N#Cc1ccnc(N[C@H](c2ccccc2)C2CC2)c1 ZINC000283696353 181157723 /nfs/dbraw/zinc/15/77/23/181157723.db2.gz ZNEYOEMPDURRDT-MRXNPFEDSA-N 0 0 249.317 3.516 20 30 BHEDRN CC1=CC[C@H](Nc2ccc(CC#N)cc2)CC1 ZINC000284044534 351990267 /nfs/dbraw/zinc/99/02/67/351990267.db2.gz LYEWEBCLFBLZAY-AWEZNQCLSA-N 0 0 226.323 3.663 20 30 BHEDRN CC1=CC[C@@H](Nc2ccc(CC#N)cc2)CC1 ZINC000284044537 351990283 /nfs/dbraw/zinc/99/02/83/351990283.db2.gz LYEWEBCLFBLZAY-CQSZACIVSA-N 0 0 226.323 3.663 20 30 BHEDRN C=CCCCCCN(C)C(=O)c1c(C)coc1C ZINC000284213890 135542814 /nfs/dbraw/zinc/54/28/14/135542814.db2.gz CVPZJDSKPCQGIO-UHFFFAOYSA-N 0 0 249.354 3.715 20 30 BHEDRN CC[C@@H](C)CCC(=O)Nc1ccc(CC#N)cc1 ZINC000284911768 352009651 /nfs/dbraw/zinc/00/96/51/352009651.db2.gz BBKBNKFATNBBFG-GFCCVEGCSA-N 0 0 244.338 3.517 20 30 BHEDRN CC[C@H](C)CCC(=O)Nc1ccc(CC#N)cc1 ZINC000284911771 352009968 /nfs/dbraw/zinc/00/99/68/352009968.db2.gz BBKBNKFATNBBFG-LBPRGKRZSA-N 0 0 244.338 3.517 20 30 BHEDRN N#Cc1ccc(F)cc1CSCCCCF ZINC000284917745 181114588 /nfs/dbraw/zinc/11/45/88/181114588.db2.gz AKGYBKRFVDHBKS-UHFFFAOYSA-N 0 0 241.306 3.680 20 30 BHEDRN N#Cc1cccc(CSCCCCF)c1 ZINC000284920388 187345457 /nfs/dbraw/zinc/34/54/57/187345457.db2.gz ARLXZNJCVHVQHA-UHFFFAOYSA-N 0 0 223.316 3.541 20 30 BHEDRN C=C(C)CCSCc1cccc(NC(C)=O)c1 ZINC000284938396 136287306 /nfs/dbraw/zinc/28/73/06/136287306.db2.gz BWZPTBJDBAIRMH-UHFFFAOYSA-N 0 0 249.379 3.844 20 30 BHEDRN C=C(C)CCSCc1cnc(C)s1 ZINC000284957426 135548266 /nfs/dbraw/zinc/54/82/66/135548266.db2.gz CZTGOVJYOGBAOT-UHFFFAOYSA-N 0 0 213.371 3.651 20 30 BHEDRN C=C(C)CCc1noc(-c2cscc2C)n1 ZINC000284973639 136287403 /nfs/dbraw/zinc/28/74/03/136287403.db2.gz BGZLWPYZDIICRJ-UHFFFAOYSA-N 0 0 234.324 3.615 20 30 BHEDRN COCCCCS[C@H](C)c1ccc(C#N)cc1 ZINC000284988127 174207952 /nfs/dbraw/zinc/20/79/52/174207952.db2.gz GCUIFGXJNOVVLK-GFCCVEGCSA-N 0 0 249.379 3.779 20 30 BHEDRN COCCCCS[C@@H](C)c1ccc(C#N)cc1 ZINC000284988128 174207795 /nfs/dbraw/zinc/20/77/95/174207795.db2.gz GCUIFGXJNOVVLK-LBPRGKRZSA-N 0 0 249.379 3.779 20 30 BHEDRN CCCNc1ccc(C#N)cc1NCCCCF ZINC000285022332 388832669 /nfs/dbraw/zinc/83/26/69/388832669.db2.gz DDELBUNRJHRTAQ-UHFFFAOYSA-N 0 0 249.333 3.542 20 30 BHEDRN C=C(C)CCSCc1nc(C)cs1 ZINC000285026958 135371680 /nfs/dbraw/zinc/37/16/80/135371680.db2.gz IRFMGLFRIRQBRA-UHFFFAOYSA-N 0 0 213.371 3.651 20 30 BHEDRN C=C(C)CCSCc1ccn(C(C)C)n1 ZINC000285031813 136287579 /nfs/dbraw/zinc/28/75/79/136287579.db2.gz IZUJGBUTSMUZCP-UHFFFAOYSA-N 0 0 224.373 3.663 20 30 BHEDRN C=C(C)CCSCc1nc(C(C)(C)C)no1 ZINC000285034387 135551912 /nfs/dbraw/zinc/55/19/12/135551912.db2.gz JDUZVOCCGYWXCY-UHFFFAOYSA-N 0 0 240.372 3.567 20 30 BHEDRN N#Cc1ccc(CSCCCCF)c(F)c1 ZINC000285066963 181110955 /nfs/dbraw/zinc/11/09/55/181110955.db2.gz LLLCCQCIZVHOIF-UHFFFAOYSA-N 0 0 241.306 3.680 20 30 BHEDRN N#Cc1ccc(F)c(CSCCCCF)c1 ZINC000285069273 181113227 /nfs/dbraw/zinc/11/32/27/181113227.db2.gz LOXNBTHYMAWIBF-UHFFFAOYSA-N 0 0 241.306 3.680 20 30 BHEDRN C=C(C)CCSCc1c(C)onc1CC ZINC000285076606 353529019 /nfs/dbraw/zinc/52/90/19/353529019.db2.gz MASXUKMVDWACER-UHFFFAOYSA-N 0 0 225.357 3.745 20 30 BHEDRN COCCCCS[C@H](C)c1cccc(C#N)c1 ZINC000285079369 174208147 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20 30 BHEDRN C=CCC(C)(C)C(=O)NCCC1=CCCCC1 ZINC000292220620 135653600 /nfs/dbraw/zinc/65/36/00/135653600.db2.gz MNFLOZAOLPXHPZ-UHFFFAOYSA-N 0 0 235.371 3.595 20 30 BHEDRN C=CCC(C)(C)C(=O)Nc1ccc(F)cc1F ZINC000292259314 135653413 /nfs/dbraw/zinc/65/34/13/135653413.db2.gz FMSDWDXQKSCLHQ-UHFFFAOYSA-N 0 0 239.265 3.506 20 30 BHEDRN C=CCN(CCC#N)[C@@H](CC)c1ccccc1 ZINC000292259862 352310462 /nfs/dbraw/zinc/31/04/62/352310462.db2.gz RKFSBCFQMLOEMJ-HNNXBMFYSA-N 0 0 228.339 3.539 20 30 BHEDRN C=CCN(CCC#N)[C@H](CC)c1ccccc1 ZINC000292259864 352310610 /nfs/dbraw/zinc/31/06/10/352310610.db2.gz RKFSBCFQMLOEMJ-OAHLLOKOSA-N 0 0 228.339 3.539 20 30 BHEDRN C=CCC(C)(C)C(=O)N(C)Cc1cccc(C)c1 ZINC000292280050 353708139 /nfs/dbraw/zinc/70/81/39/353708139.db2.gz OMCBRZYXFCMILQ-UHFFFAOYSA-N 0 0 245.366 3.556 20 30 BHEDRN C=CCC(C)(C)C(=O)Nc1ccc(C)cc1C ZINC000292284471 353708997 /nfs/dbraw/zinc/70/89/97/353708997.db2.gz IPBDOAZKYGEOKG-UHFFFAOYSA-N 0 0 231.339 3.844 20 30 BHEDRN C=CCC(C)(C)C(=O)Nc1cccc(C)c1 ZINC000292304917 353708705 /nfs/dbraw/zinc/70/87/05/353708705.db2.gz UYISTTSAWGTTBD-UHFFFAOYSA-N 0 0 217.312 3.536 20 30 BHEDRN C=CCC(C)(C)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000292319645 353709992 /nfs/dbraw/zinc/70/99/92/353709992.db2.gz BOPVPSDKLVJVQJ-UHFFFAOYSA-N 0 0 242.322 3.709 20 30 BHEDRN C=CCC(C)(C)C(=O)N(CC)Cc1ccccc1 ZINC000292326614 353716171 /nfs/dbraw/zinc/71/61/71/353716171.db2.gz BVXWKVZMILHJAS-UHFFFAOYSA-N 0 0 245.366 3.637 20 30 BHEDRN C=CCC(C)(C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000292341823 353711604 /nfs/dbraw/zinc/71/16/04/353711604.db2.gz SSMICFASXCGTBS-CYBMUJFWSA-N 0 0 245.366 3.509 20 30 BHEDRN C=CCC(C)(C)C(=O)NC[C@H](C)c1ccccc1 ZINC000292341826 534538326 /nfs/dbraw/zinc/53/83/26/534538326.db2.gz SSMICFASXCGTBS-ZDUSSCGKSA-N 0 0 245.366 3.509 20 30 BHEDRN C=CCC(C)(C)C(=O)Nc1cc(C)ccc1F ZINC000292364312 353712603 /nfs/dbraw/zinc/71/26/03/353712603.db2.gz ZXULVCDMFVDAAK-UHFFFAOYSA-N 0 0 235.302 3.675 20 30 BHEDRN C=CCC(C)(C)C(=O)Nc1cccc(C)c1C ZINC000292397477 353712236 /nfs/dbraw/zinc/71/22/36/353712236.db2.gz WUVATKVWEFSFDC-UHFFFAOYSA-N 0 0 231.339 3.844 20 30 BHEDRN C=CCC(C)(C)C(=O)Nc1ccccc1C ZINC000292409557 353713378 /nfs/dbraw/zinc/71/33/78/353713378.db2.gz YKIFWDVMWUWXQY-UHFFFAOYSA-N 0 0 217.312 3.536 20 30 BHEDRN C=CCC(C)(C)C(=O)Nc1cc(F)ccc1C ZINC000292419409 353713116 /nfs/dbraw/zinc/71/31/16/353713116.db2.gz ZRLDIOGPBUMGPG-UHFFFAOYSA-N 0 0 235.302 3.675 20 30 BHEDRN C=CCCCC(=O)N(C)Cc1cccc(C)c1C ZINC000292428897 353713896 /nfs/dbraw/zinc/71/38/96/353713896.db2.gz LNGIFRJBPXMKSX-UHFFFAOYSA-N 0 0 245.366 3.618 20 30 BHEDRN C=C(C)CCN[C@H](c1ccccc1)C(F)F ZINC000292561947 351128385 /nfs/dbraw/zinc/12/83/85/351128385.db2.gz BCTFSJBQLYZHBM-GFCCVEGCSA-N 0 0 225.282 3.549 20 30 BHEDRN C=C(C)CCN[C@@H](c1ccccc1)C(F)F ZINC000292561951 351128396 /nfs/dbraw/zinc/12/83/96/351128396.db2.gz BCTFSJBQLYZHBM-LBPRGKRZSA-N 0 0 225.282 3.549 20 30 BHEDRN Cc1nc(S[C@H](C#N)C2CCCCC2)[nH]c1C ZINC000292571711 135177358 /nfs/dbraw/zinc/17/73/58/135177358.db2.gz FCGMRZPSUAKCDA-GFCCVEGCSA-N 0 0 249.383 3.591 20 30 BHEDRN Cc1nc(S[C@@H](C#N)C2CCCCC2)[nH]c1C ZINC000292571713 135177142 /nfs/dbraw/zinc/17/71/42/135177142.db2.gz FCGMRZPSUAKCDA-LBPRGKRZSA-N 0 0 249.383 3.591 20 30 BHEDRN CC(C)c1ccc(SCCOCCC#N)cc1 ZINC000292608137 167610129 /nfs/dbraw/zinc/61/01/29/167610129.db2.gz IKGIJKSYEPXLBD-UHFFFAOYSA-N 0 0 249.379 3.832 20 30 BHEDRN Cc1cnccc1SCCCC(C)(C)C#N ZINC000292687833 136289191 /nfs/dbraw/zinc/28/91/91/136289191.db2.gz FVKHITXLIIRGTC-UHFFFAOYSA-N 0 0 234.368 3.812 20 30 BHEDRN Cc1cnccc1S[C@@H](C#N)C1CCCCC1 ZINC000292785127 135178428 /nfs/dbraw/zinc/17/84/28/135178428.db2.gz MYDMFBBVJLOZJK-AWEZNQCLSA-N 0 0 246.379 3.955 20 30 BHEDRN Cc1cnccc1S[C@H](C#N)C1CCCCC1 ZINC000292785130 135178462 /nfs/dbraw/zinc/17/84/62/135178462.db2.gz MYDMFBBVJLOZJK-CQSZACIVSA-N 0 0 246.379 3.955 20 30 BHEDRN C=CCC(C)(C)CNC(=O)Nc1ccccc1C ZINC000292856114 353727034 /nfs/dbraw/zinc/72/70/34/353727034.db2.gz RPCXDCMIMWKKSF-UHFFFAOYSA-N 0 0 246.354 3.719 20 30 BHEDRN Cc1ccccc1C(C)(C)[NH2+]CCC(C)(C)C#N ZINC000292898810 136289240 /nfs/dbraw/zinc/28/92/40/136289240.db2.gz DMSJSWLYHNNWTA-UHFFFAOYSA-N 0 0 244.382 3.760 20 30 BHEDRN C=CCC(C)(C)C(=O)Nc1cccc2[nH]ccc21 ZINC000292928992 353729142 /nfs/dbraw/zinc/72/91/42/353729142.db2.gz CITNELRWKWJZHS-UHFFFAOYSA-N 0 0 242.322 3.709 20 30 BHEDRN CC(C)(CCC#N)CNc1cccc(C2CC2)n1 ZINC000293077596 386773090 /nfs/dbraw/zinc/77/30/90/386773090.db2.gz VZPNJRXXJBQEBY-UHFFFAOYSA-N 0 0 243.354 3.701 20 30 BHEDRN C=CCCC(=O)OCc1ccc(C(C)C)nc1C ZINC000293090418 353732685 /nfs/dbraw/zinc/73/26/85/353732685.db2.gz PLHATPIJYMDGFP-UHFFFAOYSA-N 0 0 247.338 3.523 20 30 BHEDRN C=CCC(F)(F)c1nc(C(CC)CC)no1 ZINC000293101856 353734139 /nfs/dbraw/zinc/73/41/39/353734139.db2.gz HBHSUNXXDOUULF-UHFFFAOYSA-N 0 0 230.258 3.641 20 30 BHEDRN C=CCC(F)(F)c1nc([C@@H](C)SCC)no1 ZINC000293175288 353735622 /nfs/dbraw/zinc/73/56/22/353735622.db2.gz MOTPXUDQBRUQOO-SSDOTTSWSA-N 0 0 248.298 3.552 20 30 BHEDRN C=CCC(F)(F)c1nc([C@H](C)SCC)no1 ZINC000293175291 352340909 /nfs/dbraw/zinc/34/09/09/352340909.db2.gz MOTPXUDQBRUQOO-ZETCQYMHSA-N 0 0 248.298 3.552 20 30 BHEDRN C=CCCCCCCNc1nnc(C(F)F)o1 ZINC000293212578 534672646 /nfs/dbraw/zinc/67/26/46/534672646.db2.gz VEAZFPSHUMJEHP-UHFFFAOYSA-N 0 0 245.273 3.556 20 30 BHEDRN C=CCC(C)(C)C(=O)Nc1cccc(F)c1C ZINC000293228087 534542132 /nfs/dbraw/zinc/54/21/32/534542132.db2.gz NOERIBDZPHZCHZ-UHFFFAOYSA-N 0 0 235.302 3.675 20 30 BHEDRN C=CCC(F)(F)c1nc(C2CCCCC2)no1 ZINC000293267264 398257984 /nfs/dbraw/zinc/25/79/84/398257984.db2.gz WAEUHUJFBPKFOW-UHFFFAOYSA-N 0 0 242.269 3.785 20 30 BHEDRN N#CCCCC(=O)Nc1cccc(C2CCC2)c1 ZINC000293308081 136289574 /nfs/dbraw/zinc/28/95/74/136289574.db2.gz NFHYIPMURVVCLI-UHFFFAOYSA-N 0 0 242.322 3.586 20 30 BHEDRN C=CCC[C@@H](NCc1occc1C)c1ccco1 ZINC000293338569 353741200 /nfs/dbraw/zinc/74/12/00/353741200.db2.gz GLBJHCNBKOOAMR-CYBMUJFWSA-N 0 0 245.322 3.978 20 30 BHEDRN C=CCC[C@H](NCc1occc1C)c1ccco1 ZINC000293338571 136229604 /nfs/dbraw/zinc/22/96/04/136229604.db2.gz GLBJHCNBKOOAMR-ZDUSSCGKSA-N 0 0 245.322 3.978 20 30 BHEDRN C=CCC(F)(F)c1nc(CCC(C)(C)C)no1 ZINC000293431575 353744138 /nfs/dbraw/zinc/74/41/38/353744138.db2.gz VUFIBWWEMKRWSB-UHFFFAOYSA-N 0 0 244.285 3.716 20 30 BHEDRN C=CCC(C)(C)C(=O)Nc1cscc1C ZINC000293443396 534542346 /nfs/dbraw/zinc/54/23/46/534542346.db2.gz RUCQRDYQCAXGCU-UHFFFAOYSA-N 0 0 223.341 3.597 20 30 BHEDRN C=CCC(C)(C)C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000293576263 353749562 /nfs/dbraw/zinc/74/95/62/353749562.db2.gz WHCZGEQROQSHJG-UHFFFAOYSA-N 0 0 249.398 3.794 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@H](C)c1ccccc1 ZINC000293755206 353756625 /nfs/dbraw/zinc/75/66/25/353756625.db2.gz KWOIVBNSYGBFGK-CYBMUJFWSA-N 0 0 245.366 3.509 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@@H](C)c1ccccc1 ZINC000293755209 135184049 /nfs/dbraw/zinc/18/40/49/135184049.db2.gz KWOIVBNSYGBFGK-ZDUSSCGKSA-N 0 0 245.366 3.509 20 30 BHEDRN C=CCC(CC=C)C(=O)N1CC(C)(C)[C@@H]1C(C)C ZINC000293852359 353760782 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BHEDRN CC(C)C[C@@H](C)Nc1snc(Cl)c1C#N ZINC000301811903 187643406 /nfs/dbraw/zinc/64/34/06/187643406.db2.gz XSWOEGWDFCYJIW-SSDOTTSWSA-N 0 0 243.763 3.515 20 30 BHEDRN CC(C)C[C@H](C)Nc1snc(Cl)c1C#N ZINC000301811904 398291086 /nfs/dbraw/zinc/29/10/86/398291086.db2.gz XSWOEGWDFCYJIW-ZETCQYMHSA-N 0 0 243.763 3.515 20 30 BHEDRN CC(C)CSCCCNc1ccc(C#N)cc1 ZINC000301813303 187528911 /nfs/dbraw/zinc/52/89/11/187528911.db2.gz CEMHTLKKYZZGEN-UHFFFAOYSA-N 0 0 248.395 3.749 20 30 BHEDRN N#Cc1c(F)cccc1NCC1(C2CC2)CCC1 ZINC000301814764 181076446 /nfs/dbraw/zinc/07/64/46/181076446.db2.gz ZEKZXMBIRJGGSD-UHFFFAOYSA-N 0 0 244.313 3.690 20 30 BHEDRN N#Cc1cc(F)ccc1NCC1(C2CC2)CCC1 ZINC000301814765 181088213 /nfs/dbraw/zinc/08/82/13/181088213.db2.gz ZEWZPAZBVVAKHS-UHFFFAOYSA-N 0 0 244.313 3.690 20 30 BHEDRN CN(c1cccc(C#N)n1)C1CCCCCCC1 ZINC000301822541 172949353 /nfs/dbraw/zinc/94/93/53/172949353.db2.gz HFRGQYHYPACFCA-UHFFFAOYSA-N 0 0 243.354 3.502 20 30 BHEDRN CCC(CC)Nc1ccc2cc(C#N)ccc2n1 ZINC000301830602 168393489 /nfs/dbraw/zinc/39/34/89/168393489.db2.gz SAHQDPZJFREVSA-UHFFFAOYSA-N 0 0 239.322 3.707 20 30 BHEDRN C=C[C@@H](C)Nc1cc(C(C)C)nc(C(C)C)n1 ZINC000301847979 134156740 /nfs/dbraw/zinc/15/67/40/134156740.db2.gz CEWNSOFBPVWNJO-LLVKDONJSA-N 0 0 233.359 3.710 20 30 BHEDRN C=C[C@H](C)Nc1cc(C(C)C)nc(C(C)C)n1 ZINC000301847980 134156666 /nfs/dbraw/zinc/15/66/66/134156666.db2.gz CEWNSOFBPVWNJO-NSHDSACASA-N 0 0 233.359 3.710 20 30 BHEDRN CCCC[C@H](Nc1cccc(C#N)n1)C1CCC1 ZINC000301864728 169013016 /nfs/dbraw/zinc/01/30/16/169013016.db2.gz UUUKJUVHAKNRKH-AWEZNQCLSA-N 0 0 243.354 3.724 20 30 BHEDRN CCCC[C@@H](Nc1cccc(C#N)n1)C1CCC1 ZINC000301864729 388616662 /nfs/dbraw/zinc/61/66/62/388616662.db2.gz UUUKJUVHAKNRKH-CQSZACIVSA-N 0 0 243.354 3.724 20 30 BHEDRN C[C@@H]1CC[C@H](C)N1c1ccc(C#N)c(Cl)c1 ZINC000301873580 177187556 /nfs/dbraw/zinc/18/75/56/177187556.db2.gz GARDFINDKTXJCG-AOOOYVTPSA-N 0 0 234.730 3.589 20 30 BHEDRN C[C@@H]1CC[C@@H](C)N1c1ccc(C#N)c(Cl)c1 ZINC000301873581 176200114 /nfs/dbraw/zinc/20/01/14/176200114.db2.gz GARDFINDKTXJCG-NXEZZACHSA-N 0 0 234.730 3.589 20 30 BHEDRN C[C@H]1CC[C@H](C)N1c1ccc(C#N)c(Cl)c1 ZINC000301873582 177200114 /nfs/dbraw/zinc/20/01/14/177200114.db2.gz GARDFINDKTXJCG-UWVGGRQHSA-N 0 0 234.730 3.589 20 30 BHEDRN N#Cc1ccc(N[C@H]2CC23CCCCC3)cc1 ZINC000301969228 181125063 /nfs/dbraw/zinc/12/50/63/181125063.db2.gz BFKWWJKVGKKTIW-AWEZNQCLSA-N 0 0 226.323 3.693 20 30 BHEDRN N#Cc1ccc(N[C@@H]2CC23CCCCC3)cc1 ZINC000301969229 181124271 /nfs/dbraw/zinc/12/42/71/181124271.db2.gz BFKWWJKVGKKTIW-CQSZACIVSA-N 0 0 226.323 3.693 20 30 BHEDRN CC(C)(C)CNc1ccc2cc(C#N)ccc2n1 ZINC000301974034 491099477 /nfs/dbraw/zinc/09/94/77/491099477.db2.gz KNYHLTDWFCGVSM-UHFFFAOYSA-N 0 0 239.322 3.564 20 30 BHEDRN C=CCCC[C@@H](C)Nc1cc(Cl)nc(C)n1 ZINC000301979808 384949114 /nfs/dbraw/zinc/94/91/14/384949114.db2.gz AMHBXWQVUHXFQC-SECBINFHSA-N 0 0 239.750 3.595 20 30 BHEDRN C=CCCC[C@H](C)Nc1cc(Cl)nc(C)n1 ZINC000301979809 134855367 /nfs/dbraw/zinc/85/53/67/134855367.db2.gz AMHBXWQVUHXFQC-VIFPVBQESA-N 0 0 239.750 3.595 20 30 BHEDRN CCCCCNc1ccc2cc(C#N)ccc2n1 ZINC000301980826 168722714 /nfs/dbraw/zinc/72/27/14/168722714.db2.gz PYRSJZLSYHKRPS-UHFFFAOYSA-N 0 0 239.322 3.709 20 30 BHEDRN C=CCCC[C@@H](C)Nc1ccc(F)cc1C#N ZINC000301985245 384949317 /nfs/dbraw/zinc/94/93/17/384949317.db2.gz CIJZJAIKQVGLAJ-LLVKDONJSA-N 0 0 232.302 3.854 20 30 BHEDRN C=CCCC[C@H](C)Nc1ccc(F)cc1C#N ZINC000301985246 134855456 /nfs/dbraw/zinc/85/54/56/134855456.db2.gz CIJZJAIKQVGLAJ-NSHDSACASA-N 0 0 232.302 3.854 20 30 BHEDRN C=CCCC[C@@H](C)Nc1nc(C2CC2)ns1 ZINC000301985694 384949588 /nfs/dbraw/zinc/94/95/88/384949588.db2.gz CPVKTZLUCAVHCB-SECBINFHSA-N 0 0 237.372 3.572 20 30 BHEDRN C=CCCC[C@H](C)Nc1nc(C2CC2)ns1 ZINC000301985695 384950403 /nfs/dbraw/zinc/95/04/03/384950403.db2.gz CPVKTZLUCAVHCB-VIFPVBQESA-N 0 0 237.372 3.572 20 30 BHEDRN C=CCCC[C@@H](C)Nc1ccnc(C(C)C)n1 ZINC000301987533 534753868 /nfs/dbraw/zinc/75/38/68/534753868.db2.gz DLEQVDVWIFIKDT-GFCCVEGCSA-N 0 0 233.359 3.757 20 30 BHEDRN C=CCCC[C@H](C)Nc1ccnc(C(C)C)n1 ZINC000301987535 134156971 /nfs/dbraw/zinc/15/69/71/134156971.db2.gz DLEQVDVWIFIKDT-LBPRGKRZSA-N 0 0 233.359 3.757 20 30 BHEDRN CCCCCSc1ccc(Cl)c(C#N)n1 ZINC000301987681 388618447 /nfs/dbraw/zinc/61/84/47/388618447.db2.gz LAFRKXLZWPGLNS-UHFFFAOYSA-N 0 0 240.759 3.889 20 30 BHEDRN C=CCCC[C@H](C)Nc1ccnc(Cl)c1 ZINC000301994374 134855566 /nfs/dbraw/zinc/85/55/66/134855566.db2.gz GYQGYQRJPPKFHF-JTQLQIEISA-N 0 0 224.735 3.892 20 30 BHEDRN C=CCCC[C@@H](C)Nc1ccnc(Cl)c1 ZINC000301994375 384948514 /nfs/dbraw/zinc/94/85/14/384948514.db2.gz GYQGYQRJPPKFHF-SNVBAGLBSA-N 0 0 224.735 3.892 20 30 BHEDRN C=CCCC[C@H](C)Nc1ncnc2sccc21 ZINC000302004966 384952089 /nfs/dbraw/zinc/95/20/89/384952089.db2.gz UCZIGUVAIYQAMR-JTQLQIEISA-N 0 0 247.367 3.848 20 30 BHEDRN C=CCCC[C@@H](C)Nc1ncnc2sccc21 ZINC000302004967 384953350 /nfs/dbraw/zinc/95/33/50/384953350.db2.gz UCZIGUVAIYQAMR-SNVBAGLBSA-N 0 0 247.367 3.848 20 30 BHEDRN CCCCCSc1snc(Cl)c1C#N ZINC000302006817 388618007 /nfs/dbraw/zinc/61/80/07/388618007.db2.gz WCCAWNXNLCEPHU-UHFFFAOYSA-N 0 0 246.788 3.950 20 30 BHEDRN Cc1cccc(NCC#Cc2ccccc2)c1F ZINC000302009631 229270008 /nfs/dbraw/zinc/27/00/08/229270008.db2.gz KNUXFEUVUNECFO-UHFFFAOYSA-N 0 0 239.293 3.598 20 30 BHEDRN C=C(C)CN(C)c1nc2ccccc2cc1C ZINC000302015019 134157057 /nfs/dbraw/zinc/15/70/57/134157057.db2.gz BVMACRDZSWPDBP-UHFFFAOYSA-N 0 0 226.323 3.556 20 30 BHEDRN C=CCCC[C@H](C)Nc1nnc(C(C)C)s1 ZINC000302018026 384953468 /nfs/dbraw/zinc/95/34/68/384953468.db2.gz MMYKDJOGUIZMMT-JTQLQIEISA-N 0 0 239.388 3.818 20 30 BHEDRN C=CCCC[C@@H](C)Nc1nnc(C(C)C)s1 ZINC000302018027 384951860 /nfs/dbraw/zinc/95/18/60/384951860.db2.gz MMYKDJOGUIZMMT-SNVBAGLBSA-N 0 0 239.388 3.818 20 30 BHEDRN C=CCCC[C@@H](C)Nc1ccc(C#N)cc1 ZINC000302026464 534754131 /nfs/dbraw/zinc/75/41/31/534754131.db2.gz QKBUOCBWYZLWDV-GFCCVEGCSA-N 0 0 214.312 3.715 20 30 BHEDRN C=CCCC[C@H](C)Nc1ccc(C#N)cc1 ZINC000302026465 384952918 /nfs/dbraw/zinc/95/29/18/384952918.db2.gz QKBUOCBWYZLWDV-LBPRGKRZSA-N 0 0 214.312 3.715 20 30 BHEDRN C[C@H]1CC[C@]2(CCN(c3ccc(C#N)cc3)C2)C1 ZINC000302026958 177207897 /nfs/dbraw/zinc/20/78/97/177207897.db2.gz AFANNTFGQFQXLD-BBRMVZONSA-N 0 0 240.350 3.575 20 30 BHEDRN C[C@@H]1CC[C@]2(CCN(c3ccc(C#N)cc3)C2)C1 ZINC000302026959 176237965 /nfs/dbraw/zinc/23/79/65/176237965.db2.gz AFANNTFGQFQXLD-CJNGLKHVSA-N 0 0 240.350 3.575 20 30 BHEDRN C[C@@H]1CC[C@@]2(CCN(c3ccc(C#N)cc3)C2)C1 ZINC000302026960 176218738 /nfs/dbraw/zinc/21/87/38/176218738.db2.gz AFANNTFGQFQXLD-CZUORRHYSA-N 0 0 240.350 3.575 20 30 BHEDRN C[C@H]1CC[C@@]2(CCN(c3ccc(C#N)cc3)C2)C1 ZINC000302026961 177196645 /nfs/dbraw/zinc/19/66/45/177196645.db2.gz AFANNTFGQFQXLD-XJKSGUPXSA-N 0 0 240.350 3.575 20 30 BHEDRN C=CCCC[C@@H](C)Nc1cccc(F)c1C#N ZINC000302027426 384952709 /nfs/dbraw/zinc/95/27/09/384952709.db2.gz QUYKOHKVKKXWLI-LLVKDONJSA-N 0 0 232.302 3.854 20 30 BHEDRN C=CCCC[C@H](C)Nc1cccc(F)c1C#N ZINC000302027428 134855586 /nfs/dbraw/zinc/85/55/86/134855586.db2.gz QUYKOHKVKKXWLI-NSHDSACASA-N 0 0 232.302 3.854 20 30 BHEDRN C=CCCC[C@H](C)Nc1nc(C(C)C)ns1 ZINC000302032636 384952451 /nfs/dbraw/zinc/95/24/51/384952451.db2.gz SPJDOKZXFILZCL-JTQLQIEISA-N 0 0 239.388 3.818 20 30 BHEDRN C=CCCC[C@@H](C)Nc1nc(C(C)C)ns1 ZINC000302032637 384953856 /nfs/dbraw/zinc/95/38/56/384953856.db2.gz SPJDOKZXFILZCL-SNVBAGLBSA-N 0 0 239.388 3.818 20 30 BHEDRN C=CCCC[C@@H](C)Nc1nc2ccccc2o1 ZINC000302034783 384952548 /nfs/dbraw/zinc/95/25/48/384952548.db2.gz UFYJQLWDNWCUIY-LLVKDONJSA-N 0 0 230.311 3.985 20 30 BHEDRN C=CCCC[C@H](C)Nc1nc2ccccc2o1 ZINC000302034784 384952053 /nfs/dbraw/zinc/95/20/53/384952053.db2.gz UFYJQLWDNWCUIY-NSHDSACASA-N 0 0 230.311 3.985 20 30 BHEDRN C=CCCC[C@@H](C)Nc1nnc(C2CC2)s1 ZINC000302045124 384942715 /nfs/dbraw/zinc/94/27/15/384942715.db2.gz XTLHAPJRSOPHSC-SECBINFHSA-N 0 0 237.372 3.572 20 30 BHEDRN C=CCCC[C@H](C)Nc1nnc(C2CC2)s1 ZINC000302045125 384943489 /nfs/dbraw/zinc/94/34/89/384943489.db2.gz XTLHAPJRSOPHSC-VIFPVBQESA-N 0 0 237.372 3.572 20 30 BHEDRN C=CCCC[C@H](C)Nc1ccc(Cl)c(C#N)n1 ZINC000302045394 134157097 /nfs/dbraw/zinc/15/70/97/134157097.db2.gz XWAZADPVIBBAAT-JTQLQIEISA-N 0 0 249.745 3.763 20 30 BHEDRN C=CCCC[C@@H](C)Nc1ccc(Cl)c(C#N)n1 ZINC000302045396 534753538 /nfs/dbraw/zinc/75/35/38/534753538.db2.gz XWAZADPVIBBAAT-SNVBAGLBSA-N 0 0 249.745 3.763 20 30 BHEDRN C=CCCC[C@@H](C)Nc1ccc(C#N)cc1F ZINC000302049700 534753642 /nfs/dbraw/zinc/75/36/42/534753642.db2.gz ZVFHVSSVPDVVFP-LLVKDONJSA-N 0 0 232.302 3.854 20 30 BHEDRN C=CCCC[C@H](C)Nc1ccc(C#N)cc1F ZINC000302049701 384942894 /nfs/dbraw/zinc/94/28/94/384942894.db2.gz ZVFHVSSVPDVVFP-NSHDSACASA-N 0 0 232.302 3.854 20 30 BHEDRN C=CCCC[C@@H](C)Nc1ccnc(C2CC2)n1 ZINC000302050169 534754109 /nfs/dbraw/zinc/75/41/09/534754109.db2.gz ZYLMYIOVXBLBQY-LLVKDONJSA-N 0 0 231.343 3.511 20 30 BHEDRN C=CCCC[C@H](C)Nc1ccnc(C2CC2)n1 ZINC000302050170 134157218 /nfs/dbraw/zinc/15/72/18/134157218.db2.gz ZYLMYIOVXBLBQY-NSHDSACASA-N 0 0 231.343 3.511 20 30 BHEDRN CCc1cc(Nc2ccc(C#N)cn2)ccc1C ZINC000302054338 388619585 /nfs/dbraw/zinc/61/95/85/388619585.db2.gz PPDSXHDFUCPUHB-UHFFFAOYSA-N 0 0 237.306 3.568 20 30 BHEDRN CC(=O)c1ccc(C#N)c(NCCCC(C)C)c1 ZINC000302079138 388619318 /nfs/dbraw/zinc/61/93/18/388619318.db2.gz BDYQHVHZUHGBSJ-UHFFFAOYSA-N 0 0 244.338 3.609 20 30 BHEDRN CCCCCCNc1cc(C(C)=O)ccc1C#N ZINC000302085088 388619182 /nfs/dbraw/zinc/61/91/82/388619182.db2.gz DQFPHNWSJAFNSP-UHFFFAOYSA-N 0 0 244.338 3.753 20 30 BHEDRN CCC[C@@H](CC)Nc1cc(C#N)ccc1C(C)=O ZINC000302094104 169380098 /nfs/dbraw/zinc/38/00/98/169380098.db2.gz IGZQLERZWTUJGS-CYBMUJFWSA-N 0 0 244.338 3.751 20 30 BHEDRN CCC[C@H](CC)Nc1cc(C#N)ccc1C(C)=O ZINC000302094105 169497078 /nfs/dbraw/zinc/49/70/78/169497078.db2.gz IGZQLERZWTUJGS-ZDUSSCGKSA-N 0 0 244.338 3.751 20 30 BHEDRN CC[C@@H](C)[C@@H](C)Nc1cc(C(C)=O)ccc1C#N ZINC000302098809 388619447 /nfs/dbraw/zinc/61/94/47/388619447.db2.gz KIWYHHVSGIGZPI-GHMZBOCLSA-N 0 0 244.338 3.607 20 30 BHEDRN CC[C@@H](C)[C@H](C)Nc1cc(C(C)=O)ccc1C#N ZINC000302098810 170792521 /nfs/dbraw/zinc/79/25/21/170792521.db2.gz KIWYHHVSGIGZPI-MNOVXSKESA-N 0 0 244.338 3.607 20 30 BHEDRN CC[C@H](C)[C@H](C)Nc1cc(C(C)=O)ccc1C#N ZINC000302098811 171391031 /nfs/dbraw/zinc/39/10/31/171391031.db2.gz KIWYHHVSGIGZPI-QWRGUYRKSA-N 0 0 244.338 3.607 20 30 BHEDRN CC[C@H](C)[C@@H](C)Nc1cc(C(C)=O)ccc1C#N ZINC000302098812 171367883 /nfs/dbraw/zinc/36/78/83/171367883.db2.gz KIWYHHVSGIGZPI-WDEREUQCSA-N 0 0 244.338 3.607 20 30 BHEDRN CC[C@@H](C)[C@@H](C)Nc1cc(C#N)ccc1C(C)=O ZINC000302103689 388618981 /nfs/dbraw/zinc/61/89/81/388618981.db2.gz MIJLVMQJTZVKEA-GHMZBOCLSA-N 0 0 244.338 3.607 20 30 BHEDRN CC[C@@H](C)[C@H](C)Nc1cc(C#N)ccc1C(C)=O ZINC000302103690 170791830 /nfs/dbraw/zinc/79/18/30/170791830.db2.gz MIJLVMQJTZVKEA-MNOVXSKESA-N 0 0 244.338 3.607 20 30 BHEDRN CC[C@H](C)[C@H](C)Nc1cc(C#N)ccc1C(C)=O ZINC000302103691 171391260 /nfs/dbraw/zinc/39/12/60/171391260.db2.gz MIJLVMQJTZVKEA-QWRGUYRKSA-N 0 0 244.338 3.607 20 30 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ZINC000309595010 386285278 /nfs/dbraw/zinc/28/52/78/386285278.db2.gz UGNOENJHCIIRGS-GZMMTYOYSA-N 0 0 238.693 3.583 20 30 BHEDRN N#C[C@@H]1CC[C@H](Nc2cc(F)cc(Cl)c2)C1 ZINC000309595011 388458313 /nfs/dbraw/zinc/45/83/13/388458313.db2.gz UGNOENJHCIIRGS-KCJUWKMLSA-N 0 0 238.693 3.583 20 30 BHEDRN N#C[C@H]1CC[C@H](Nc2cc(F)cc(Cl)c2)C1 ZINC000309595012 388458400 /nfs/dbraw/zinc/45/84/00/388458400.db2.gz UGNOENJHCIIRGS-KWQFWETISA-N 0 0 238.693 3.583 20 30 BHEDRN N#C[C@@H]1CC[C@@H](Nc2cc(F)cc(Cl)c2)C1 ZINC000309595013 229456094 /nfs/dbraw/zinc/45/60/94/229456094.db2.gz UGNOENJHCIIRGS-LDYMZIIASA-N 0 0 238.693 3.583 20 30 BHEDRN C=C(C)CNc1ccc(CC(F)(F)F)cc1 ZINC000309598142 633963235 /nfs/dbraw/zinc/96/32/35/633963235.db2.gz JDTOSVSLHIUSAR-UHFFFAOYSA-N 0 0 229.245 3.779 20 30 BHEDRN C=C(C)CCNc1cccc2ccn(C)c21 ZINC000309598168 134470464 /nfs/dbraw/zinc/47/04/64/134470464.db2.gz JEGDIHLQKSJBAD-UHFFFAOYSA-N 0 0 214.312 3.556 20 30 BHEDRN C=C(C)CCNc1ccc(C(C)=O)c(Cl)c1 ZINC000309598993 384903426 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C=C(CC)CNc1ccccc1OC(C)C ZINC000309915040 526861140 /nfs/dbraw/zinc/86/11/40/526861140.db2.gz OTZXIODELOLHLO-UHFFFAOYSA-N 0 0 219.328 3.852 20 30 BHEDRN Cc1nsc(NCCCC(C)(C)C)c1C#N ZINC000309922874 370276467 /nfs/dbraw/zinc/27/64/67/370276467.db2.gz TWETVDZHSOHBBB-UHFFFAOYSA-N 0 0 237.372 3.561 20 30 BHEDRN C=C(C)CCNc1ccc(C)cc1OCC ZINC000309926903 388469252 /nfs/dbraw/zinc/46/92/52/388469252.db2.gz VTEAUZNUBGBTKY-UHFFFAOYSA-N 0 0 219.328 3.772 20 30 BHEDRN C=C(CC)CNc1ccc(C)cc1OCC ZINC000309933696 388468436 /nfs/dbraw/zinc/46/84/36/388468436.db2.gz YZVUPNOBUZQEKM-UHFFFAOYSA-N 0 0 219.328 3.772 20 30 BHEDRN C#CCCCNc1ccc(Cl)cc1OCC ZINC000309935458 634045965 /nfs/dbraw/zinc/04/59/65/634045965.db2.gz ZOYBDVDKHSDDGQ-UHFFFAOYSA-N 0 0 237.730 3.564 20 30 BHEDRN C=C(CC)CNc1ccc(F)cc1OCC ZINC000309947026 388469558 /nfs/dbraw/zinc/46/95/58/388469558.db2.gz DSBOSAXBWLHFCR-UHFFFAOYSA-N 0 0 223.291 3.603 20 30 BHEDRN C=C(CC)CNc1cccc([C@@H](C)OC)c1 ZINC000309947120 388469720 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/nfs/dbraw/zinc/77/85/49/384778549.db2.gz FSCGAIDVVGSPQB-QWRGUYRKSA-N 0 0 235.293 3.662 20 30 BHEDRN C=CCC[C@H](CC)N[C@H](C1CC1)C(F)(F)F ZINC000310003593 384555819 /nfs/dbraw/zinc/55/58/19/384555819.db2.gz FSCGAIDVVGSPQB-WDEREUQCSA-N 0 0 235.293 3.662 20 30 BHEDRN C=CC[C@H](CC)Nc1nc2ccccc2o1 ZINC000310005125 534381292 /nfs/dbraw/zinc/38/12/92/534381292.db2.gz GHOJTNPCZDGVPA-JTQLQIEISA-N 0 0 216.284 3.594 20 30 BHEDRN C=CC[C@@H](CC)Nc1nc2ccccc2o1 ZINC000310005126 347217631 /nfs/dbraw/zinc/21/76/31/347217631.db2.gz GHOJTNPCZDGVPA-SNVBAGLBSA-N 0 0 216.284 3.594 20 30 BHEDRN C=CC[C@@H](CC)Nc1nc(C(C)(C)C)ns1 ZINC000310005444 388472314 /nfs/dbraw/zinc/47/23/14/388472314.db2.gz GLOIPEXMBUMNTO-SECBINFHSA-N 0 0 239.388 3.602 20 30 BHEDRN C=CC[C@H](CC)Nc1nc(C(C)(C)C)ns1 ZINC000310005445 388472114 /nfs/dbraw/zinc/47/21/14/388472114.db2.gz GLOIPEXMBUMNTO-VIFPVBQESA-N 0 0 239.388 3.602 20 30 BHEDRN C=CCC[C@@H](CC)Nc1cccc(C#N)c1 ZINC000310007456 388473196 /nfs/dbraw/zinc/47/31/96/388473196.db2.gz HGVHLNCIOQLMJS-CYBMUJFWSA-N 0 0 214.312 3.715 20 30 BHEDRN C=CCC[C@H](CC)Nc1cccc(C#N)c1 ZINC000310007458 388473182 /nfs/dbraw/zinc/47/31/82/388473182.db2.gz HGVHLNCIOQLMJS-ZDUSSCGKSA-N 0 0 214.312 3.715 20 30 BHEDRN C=CCNc1cccc(Cl)c1OCC(F)F ZINC000310016041 384555925 /nfs/dbraw/zinc/55/59/25/384555925.db2.gz KYKHZXDRORTEEG-UHFFFAOYSA-N 0 0 247.672 3.582 20 30 BHEDRN C=C[C@@H](C)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000310017287 634064286 /nfs/dbraw/zinc/06/42/86/634064286.db2.gz LJOLSXQCODNBPA-BXKDBHETSA-N 0 0 239.746 3.661 20 30 BHEDRN C=C[C@H](C)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000310017288 632694585 /nfs/dbraw/zinc/69/45/85/632694585.db2.gz LJOLSXQCODNBPA-CABZTGNLSA-N 0 0 239.746 3.661 20 30 BHEDRN C=C[C@H](C)[NH2+][C@H](CC)c1cccc(Cl)c1[O-] ZINC000310017289 632695240 /nfs/dbraw/zinc/69/52/40/632695240.db2.gz LJOLSXQCODNBPA-JOYOIKCWSA-N 0 0 239.746 3.661 20 30 BHEDRN C=C[C@@H](C)[NH2+][C@@H](CC)c1cccc(Cl)c1[O-] ZINC000310017290 634064923 /nfs/dbraw/zinc/06/49/23/634064923.db2.gz LJOLSXQCODNBPA-SKDRFNHKSA-N 0 0 239.746 3.661 20 30 BHEDRN CC/C=C\CCNc1cc(C#N)ccc1C ZINC000310018561 388666856 /nfs/dbraw/zinc/66/68/56/388666856.db2.gz MAKUQZJQZVOVKN-PLNGDYQASA-N 0 0 214.312 3.635 20 30 BHEDRN CC/C=C/CCNc1cc(C#N)ccc1C ZINC000310018562 528773981 /nfs/dbraw/zinc/77/39/81/528773981.db2.gz MAKUQZJQZVOVKN-SNAWJCMRSA-N 0 0 214.312 3.635 20 30 BHEDRN C#Cc1cccc(N[C@@H](CC)CCC=C)c1 ZINC000310035667 632696822 /nfs/dbraw/zinc/69/68/22/632696822.db2.gz UBGYKXYLADDKDY-AWEZNQCLSA-N 0 0 213.324 3.825 20 30 BHEDRN C#Cc1cccc(N[C@H](CC)CCC=C)c1 ZINC000310035668 634098908 /nfs/dbraw/zinc/09/89/08/634098908.db2.gz UBGYKXYLADDKDY-CQSZACIVSA-N 0 0 213.324 3.825 20 30 BHEDRN C=CCNc1ccc(Cl)cc1OCC(F)F ZINC000310039432 526678099 /nfs/dbraw/zinc/67/80/99/526678099.db2.gz XAGIDCOHJCKOKT-UHFFFAOYSA-N 0 0 247.672 3.582 20 30 BHEDRN CC[C@H](CC#N)[NH2+][C@H](C)C[C@@H](C)CC(C)C ZINC000310039551 347222444 /nfs/dbraw/zinc/22/24/44/347222444.db2.gz XBSUPZFDSSLDIO-BFHYXJOUSA-N 0 0 224.392 3.729 20 30 BHEDRN CC[C@H](CC#N)[NH2+][C@@H](C)C[C@H](C)CC(C)C ZINC000310039552 347222503 /nfs/dbraw/zinc/22/25/03/347222503.db2.gz XBSUPZFDSSLDIO-HZSPNIEDSA-N 0 0 224.392 3.729 20 30 BHEDRN CC[C@H](CC#N)[NH2+][C@@H](C)C[C@@H](C)CC(C)C ZINC000310039553 347222388 /nfs/dbraw/zinc/22/23/88/347222388.db2.gz XBSUPZFDSSLDIO-MELADBBJSA-N 0 0 224.392 3.729 20 30 BHEDRN CC[C@H](CC#N)[NH2+][C@H](C)C[C@H](C)CC(C)C ZINC000310039554 347222355 /nfs/dbraw/zinc/22/23/55/347222355.db2.gz XBSUPZFDSSLDIO-MGPQQGTHSA-N 0 0 224.392 3.729 20 30 BHEDRN C=CC[C@@H](CC)Nc1nnc(C(C)(C)C)s1 ZINC000310042792 388474495 /nfs/dbraw/zinc/47/44/95/388474495.db2.gz ZSPZRFYKARKCCY-SECBINFHSA-N 0 0 239.388 3.602 20 30 BHEDRN C=CC[C@H](CC)Nc1nnc(C(C)(C)C)s1 ZINC000310042793 388474642 /nfs/dbraw/zinc/47/46/42/388474642.db2.gz ZSPZRFYKARKCCY-VIFPVBQESA-N 0 0 239.388 3.602 20 30 BHEDRN CCCN(CCCCC(C)(C)C#N)CC(F)F ZINC000310044562 388474659 /nfs/dbraw/zinc/47/46/59/388474659.db2.gz AOMWNXIUXMDMFY-UHFFFAOYSA-N 0 0 246.345 3.684 20 30 BHEDRN Cc1nc(Sc2cccc(F)c2)ccc1C#N ZINC000310087150 180033476 /nfs/dbraw/zinc/03/34/76/180033476.db2.gz OJZFATXFQSSWNR-UHFFFAOYSA-N 0 0 244.294 3.552 20 30 BHEDRN Cc1nc(Nc2cccc(Cl)c2)ccc1C#N ZINC000310101129 229600745 /nfs/dbraw/zinc/60/07/45/229600745.db2.gz XVNOQOZSHBTFEO-UHFFFAOYSA-N 0 0 243.697 3.659 20 30 BHEDRN Cc1ccoc1CNc1ccc(Cl)cc1C#N ZINC000310121212 179530927 /nfs/dbraw/zinc/53/09/27/179530927.db2.gz ICNBYVPTUJHIEA-UHFFFAOYSA-N 0 0 246.697 3.725 20 30 BHEDRN Cc1nc(NCC2CCCC2)c(Cl)cc1C#N ZINC000310123178 180017244 /nfs/dbraw/zinc/01/72/44/180017244.db2.gz FFKGXFADFNDWDJ-UHFFFAOYSA-N 0 0 249.745 3.517 20 30 BHEDRN C=CCCCCNc1nc(C)c(C#N)cc1Cl ZINC000310125216 388476621 /nfs/dbraw/zinc/47/66/21/388476621.db2.gz FPEDOZLPUFZIEK-UHFFFAOYSA-N 0 0 249.745 3.683 20 30 BHEDRN C=CCCCCCCNc1ccc(C#N)cn1 ZINC000310125294 634076974 /nfs/dbraw/zinc/07/69/74/634076974.db2.gz CXYWGSZLGXYUCZ-UHFFFAOYSA-N 0 0 229.327 3.502 20 30 BHEDRN Cc1nc(NCCC2CCC2)c(Cl)cc1C#N ZINC000310145029 635228526 /nfs/dbraw/zinc/22/85/26/635228526.db2.gz LHALEOINBBBUGS-UHFFFAOYSA-N 0 0 249.745 3.517 20 30 BHEDRN C[C@H]1CCC[C@H](CN(CC#N)C2CCCC2)C1 ZINC000310149434 388476541 /nfs/dbraw/zinc/47/65/41/388476541.db2.gz OPKXZHIZRACFCO-KBPBESRZSA-N 0 0 234.387 3.581 20 30 BHEDRN C[C@@H]1CCC[C@H](CN(CC#N)C2CCCC2)C1 ZINC000310149436 388476790 /nfs/dbraw/zinc/47/67/90/388476790.db2.gz OPKXZHIZRACFCO-KGLIPLIRSA-N 0 0 234.387 3.581 20 30 BHEDRN C[C@H]1CCC[C@@H](CN(CC#N)C2CCCC2)C1 ZINC000310149438 388476305 /nfs/dbraw/zinc/47/63/05/388476305.db2.gz OPKXZHIZRACFCO-UONOGXRCSA-N 0 0 234.387 3.581 20 30 BHEDRN C[C@@H]1CCC[C@@H](CN(CC#N)C2CCCC2)C1 ZINC000310149439 388476261 /nfs/dbraw/zinc/47/62/61/388476261.db2.gz OPKXZHIZRACFCO-ZIAGYGMSSA-N 0 0 234.387 3.581 20 30 BHEDRN Cc1ccccc1Sc1ccc(C#N)c(C)n1 ZINC000310157336 383893930 /nfs/dbraw/zinc/89/39/30/383893930.db2.gz HLUPDIJODKMXCJ-UHFFFAOYSA-N 0 0 240.331 3.721 20 30 BHEDRN C=CCCCN[C@H](c1ccccc1)C(F)(F)F ZINC000310159617 388476591 /nfs/dbraw/zinc/47/65/91/388476591.db2.gz LLKSZLDCTYXPJJ-GFCCVEGCSA-N 0 0 243.272 3.846 20 30 BHEDRN C=CCCCN[C@@H](c1ccccc1)C(F)(F)F ZINC000310159618 388476782 /nfs/dbraw/zinc/47/67/82/388476782.db2.gz LLKSZLDCTYXPJJ-LBPRGKRZSA-N 0 0 243.272 3.846 20 30 BHEDRN Cc1nc(N[C@@H]2CCC2(C)C)c(Cl)cc1C#N ZINC000310163756 180022417 /nfs/dbraw/zinc/02/24/17/180022417.db2.gz RCPUAVJOTNOALS-LLVKDONJSA-N 0 0 249.745 3.516 20 30 BHEDRN Cc1nc(N[C@H]2CCC2(C)C)c(Cl)cc1C#N ZINC000310164157 180025762 /nfs/dbraw/zinc/02/57/62/180025762.db2.gz RCPUAVJOTNOALS-NSHDSACASA-N 0 0 249.745 3.516 20 30 BHEDRN Cc1ccc(Sc2ccc(C#N)c(C)n2)cc1 ZINC000310184643 388668421 /nfs/dbraw/zinc/66/84/21/388668421.db2.gz OOOPUHDLKHCOTG-UHFFFAOYSA-N 0 0 240.331 3.721 20 30 BHEDRN Cc1cccc(Sc2ccc(C#N)c(C)n2)c1 ZINC000310199404 229491973 /nfs/dbraw/zinc/49/19/73/229491973.db2.gz RVXVMLHROQPFLY-UHFFFAOYSA-N 0 0 240.331 3.721 20 30 BHEDRN CC(C)CN(CCCCC#N)c1ccccc1 ZINC000310223920 347249247 /nfs/dbraw/zinc/24/92/47/347249247.db2.gz NUZLKQJOPINCTL-UHFFFAOYSA-N 0 0 230.355 3.843 20 30 BHEDRN C=CCCCC[NH2+][C@H](C)c1cccc(F)c1F ZINC000310233411 388478861 /nfs/dbraw/zinc/47/88/61/388478861.db2.gz ZNVGFGIQJUILND-LLVKDONJSA-N 0 0 239.309 3.972 20 30 BHEDRN C=CCCCC[NH2+][C@@H](C)c1cccc(F)c1F ZINC000310233415 388478846 /nfs/dbraw/zinc/47/88/46/388478846.db2.gz ZNVGFGIQJUILND-NSHDSACASA-N 0 0 239.309 3.972 20 30 BHEDRN C=CCCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000310257178 344242574 /nfs/dbraw/zinc/24/25/74/344242574.db2.gz POOWDSBXVPUXCW-UHFFFAOYSA-N 0 0 242.225 3.520 20 30 BHEDRN Cc1cc(OCCCCF)c(C)c(C)c1C#N ZINC000310260098 409823043 /nfs/dbraw/zinc/82/30/43/409823043.db2.gz ZEZBYICRRIMENG-UHFFFAOYSA-N 0 0 235.302 3.612 20 30 BHEDRN C=CCNc1nc2c(s1)CCc1ccccc1-2 ZINC000310263341 347252838 /nfs/dbraw/zinc/25/28/38/347252838.db2.gz GURRDPNYXGMSMF-UHFFFAOYSA-N 0 0 242.347 3.507 20 30 BHEDRN CCC1(CNc2nc(C)c(C#N)cc2Cl)CC1 ZINC000310273765 384160568 /nfs/dbraw/zinc/16/05/68/384160568.db2.gz NXMRSIWANQSZSL-UHFFFAOYSA-N 0 0 249.745 3.517 20 30 BHEDRN Cc1cc(C#N)cc(C)c1OCCSC(C)C ZINC000310274745 384159310 /nfs/dbraw/zinc/15/93/10/384159310.db2.gz SNNMDPHKMNYJDM-UHFFFAOYSA-N 0 0 249.379 3.696 20 30 BHEDRN Cc1nc(Oc2ccc(Cl)cc2)ccc1C#N ZINC000310331540 388667862 /nfs/dbraw/zinc/66/78/62/388667862.db2.gz AICJGYDCOAAJSU-UHFFFAOYSA-N 0 0 244.681 3.707 20 30 BHEDRN C=C(C)CNc1nc(C)nc2sc(C)c(C)c21 ZINC000310345052 347269281 /nfs/dbraw/zinc/26/92/81/347269281.db2.gz DYYSHBHKISIXLR-UHFFFAOYSA-N 0 0 247.367 3.605 20 30 BHEDRN C=CCC(C)(C)CNc1nc2ccccc2[nH]1 ZINC000310361846 384792713 /nfs/dbraw/zinc/79/27/13/384792713.db2.gz UPRUQSRUBQVNOG-UHFFFAOYSA-N 0 0 229.327 3.577 20 30 BHEDRN Cc1nc(Oc2cccc(Cl)c2)ccc1C#N ZINC000310363426 384259022 /nfs/dbraw/zinc/25/90/22/384259022.db2.gz LEWZMBBEQGVZFR-UHFFFAOYSA-N 0 0 244.681 3.707 20 30 BHEDRN Cc1nc(NCCCC2CC2)c(Cl)cc1C#N ZINC000310406957 326192115 /nfs/dbraw/zinc/19/21/15/326192115.db2.gz OJPWAFGQWPFVJR-UHFFFAOYSA-N 0 0 249.745 3.517 20 30 BHEDRN C=CCC(C)(C)CNc1cc(C(C)C)ncn1 ZINC000310415202 527019891 /nfs/dbraw/zinc/01/98/91/527019891.db2.gz MTTYEAUZLAAUQW-UHFFFAOYSA-N 0 0 233.359 3.614 20 30 BHEDRN CCSCCOc1cc(C)c(C#N)c(C)c1C ZINC000310440508 384322855 /nfs/dbraw/zinc/32/28/55/384322855.db2.gz WFYIWAQMTKGOEG-UHFFFAOYSA-N 0 0 249.379 3.615 20 30 BHEDRN Cc1nc(N[C@H](C)C2CCC2)c(Cl)cc1C#N ZINC000310457470 343498127 /nfs/dbraw/zinc/49/81/27/343498127.db2.gz ZQUVIDWYTFBVJJ-MRVPVSSYSA-N 0 0 249.745 3.516 20 30 BHEDRN Cc1nc(N[C@@H](C)C2CCC2)c(Cl)cc1C#N ZINC000310457471 343498188 /nfs/dbraw/zinc/49/81/88/343498188.db2.gz ZQUVIDWYTFBVJJ-QMMMGPOBSA-N 0 0 249.745 3.516 20 30 BHEDRN C=CCC(C)(C)CNc1ccc([N+](=O)[O-])cc1 ZINC000310491806 384850181 /nfs/dbraw/zinc/85/01/81/384850181.db2.gz OOTHIBPTMTVBNZ-UHFFFAOYSA-N 0 0 234.299 3.609 20 30 BHEDRN Cc1nc(NC2(C)CCCC2)c(Cl)cc1C#N ZINC000310512369 180015435 /nfs/dbraw/zinc/01/54/35/180015435.db2.gz KKJNCOAOLZBGPH-UHFFFAOYSA-N 0 0 249.745 3.660 20 30 BHEDRN C=CCCCCNc1nccc(C(C)(C)C)n1 ZINC000310540263 388484987 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C[C@H](Nc1cccc(CC#N)c1)C1CCCC1 ZINC000313430874 256548297 /nfs/dbraw/zinc/54/82/97/256548297.db2.gz VDZGJZWMDZJLEK-LBPRGKRZSA-N 0 0 228.339 3.743 20 30 BHEDRN CC1(C)CC[C@H](Nc2cccc(CC#N)c2)C1 ZINC000313432171 487835555 /nfs/dbraw/zinc/83/55/55/487835555.db2.gz XUZQBUFXYLWCDS-AWEZNQCLSA-N 0 0 228.339 3.743 20 30 BHEDRN CC1(C)CC[C@@H](Nc2cccc(CC#N)c2)C1 ZINC000313432173 487835728 /nfs/dbraw/zinc/83/57/28/487835728.db2.gz XUZQBUFXYLWCDS-CQSZACIVSA-N 0 0 228.339 3.743 20 30 BHEDRN CC1CCC(Nc2cccc(CC#N)c2)CC1 ZINC000313432210 487835610 /nfs/dbraw/zinc/83/56/10/487835610.db2.gz XZIIXFAIQRLCIX-UHFFFAOYSA-N 0 0 228.339 3.743 20 30 BHEDRN N#CCc1cccc(NCC2CCCCC2)c1 ZINC000313432933 384367876 /nfs/dbraw/zinc/36/78/76/384367876.db2.gz ZCMJOAZIJKQVDD-UHFFFAOYSA-N 0 0 228.339 3.745 20 30 BHEDRN CC(C)(C)CCC(=O)Nc1cccc(CC#N)c1 ZINC000313433874 384371081 /nfs/dbraw/zinc/37/10/81/384371081.db2.gz GXUWHWHUMXXRQI-UHFFFAOYSA-N 0 0 244.338 3.517 20 30 BHEDRN N#CCc1cccc(NC[C@H]2CC=CCC2)c1 ZINC000313457425 398252918 /nfs/dbraw/zinc/25/29/18/398252918.db2.gz ZMYBQKLANDILRN-AWEZNQCLSA-N 0 0 226.323 3.521 20 30 BHEDRN N#CCc1cccc(NC[C@@H]2CC=CCC2)c1 ZINC000313457427 256548544 /nfs/dbraw/zinc/54/85/44/256548544.db2.gz ZMYBQKLANDILRN-CQSZACIVSA-N 0 0 226.323 3.521 20 30 BHEDRN Cc1cc(C)c(C#N)c(NCCCC(C)(C)C)n1 ZINC000313468404 326267458 /nfs/dbraw/zinc/26/74/58/326267458.db2.gz DFPZDGZAZGYGDR-UHFFFAOYSA-N 0 0 245.370 3.808 20 30 BHEDRN CC(C)C[C@@H](C)CNc1cccc(CC#N)c1 ZINC000313473090 384412026 /nfs/dbraw/zinc/41/20/26/384412026.db2.gz FLRDWHNBJVIMNB-CYBMUJFWSA-N 0 0 230.355 3.847 20 30 BHEDRN CC(C)C[C@H](C)CNc1cccc(CC#N)c1 ZINC000313473091 384410445 /nfs/dbraw/zinc/41/04/45/384410445.db2.gz FLRDWHNBJVIMNB-ZDUSSCGKSA-N 0 0 230.355 3.847 20 30 BHEDRN CC(C)C[C@@H](C)Nc1cccc(CC#N)c1 ZINC000313473844 384412051 /nfs/dbraw/zinc/41/20/51/384412051.db2.gz FSFRLXSPTHYIFB-GFCCVEGCSA-N 0 0 216.328 3.599 20 30 BHEDRN CC(C)C[C@H](C)Nc1cccc(CC#N)c1 ZINC000313473846 384411779 /nfs/dbraw/zinc/41/17/79/384411779.db2.gz FSFRLXSPTHYIFB-LBPRGKRZSA-N 0 0 216.328 3.599 20 30 BHEDRN C[C@H](CNc1cccc(CC#N)c1)C(C)(C)C ZINC000313474790 344074656 /nfs/dbraw/zinc/07/46/56/344074656.db2.gz GIRPUWVOWANUAM-GFCCVEGCSA-N 0 0 230.355 3.847 20 30 BHEDRN C[C@@H](CNc1cccc(CC#N)c1)C(C)(C)C ZINC000313474792 344074508 /nfs/dbraw/zinc/07/45/08/344074508.db2.gz GIRPUWVOWANUAM-LBPRGKRZSA-N 0 0 230.355 3.847 20 30 BHEDRN CCC[C@@H](C)CNc1cccc(CC#N)c1 ZINC000313476132 384415730 /nfs/dbraw/zinc/41/57/30/384415730.db2.gz IJLKZENICLKZLJ-GFCCVEGCSA-N 0 0 216.328 3.601 20 30 BHEDRN CCC[C@H](C)CNc1cccc(CC#N)c1 ZINC000313476134 384413575 /nfs/dbraw/zinc/41/35/75/384413575.db2.gz IJLKZENICLKZLJ-LBPRGKRZSA-N 0 0 216.328 3.601 20 30 BHEDRN CC(C)(C)CCNc1cccc(CC#N)c1 ZINC000313476695 384413379 /nfs/dbraw/zinc/41/33/79/384413379.db2.gz KCSVZZYBQWAEMC-UHFFFAOYSA-N 0 0 216.328 3.601 20 30 BHEDRN C=C(CC)CNc1ccc(C(=O)CC)cc1 ZINC000313476878 387389115 /nfs/dbraw/zinc/38/91/15/387389115.db2.gz 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/nfs/dbraw/zinc/30/97/16/386309716.db2.gz POUQMGHKIFWCGK-NEPJUHHUSA-N 0 0 232.327 3.648 20 30 BHEDRN C=C(C)CCc1noc([C@@H]2CC=CC[C@@H]2C)n1 ZINC000347267137 133817137 /nfs/dbraw/zinc/81/71/37/133817137.db2.gz POUQMGHKIFWCGK-NWDGAFQWSA-N 0 0 232.327 3.648 20 30 BHEDRN C=C(C)CCc1noc([C@H]2CC=CC[C@@H]2C)n1 ZINC000347267139 386310135 /nfs/dbraw/zinc/31/01/35/386310135.db2.gz POUQMGHKIFWCGK-RYUDHWBXSA-N 0 0 232.327 3.648 20 30 BHEDRN C=C(C)CCc1noc([C@@H]2CC=CC[C@H]2C)n1 ZINC000347267140 133817157 /nfs/dbraw/zinc/81/71/57/133817157.db2.gz POUQMGHKIFWCGK-VXGBXAGGSA-N 0 0 232.327 3.648 20 30 BHEDRN C=CCC1(c2nc(CCC(=C)C)no2)CCC1 ZINC000347267181 534601157 /nfs/dbraw/zinc/60/11/57/534601157.db2.gz PSBFFPLMGJACNG-UHFFFAOYSA-N 0 0 232.327 3.576 20 30 BHEDRN C=C(C)CCc1noc([C@H]2C[C@]2(C)C(C)C)n1 ZINC000347277521 386315267 /nfs/dbraw/zinc/31/52/67/386315267.db2.gz ZIMQNXCCNKHUGM-BXUZGUMPSA-N 0 0 234.343 3.728 20 30 BHEDRN C=C(C)CCc1noc([C@@H]2C[C@@]2(C)C(C)C)n1 ZINC000347277533 386315041 /nfs/dbraw/zinc/31/50/41/386315041.db2.gz ZIMQNXCCNKHUGM-FZMZJTMJSA-N 0 0 234.343 3.728 20 30 BHEDRN C=C(C)CCc1noc([C@H]2C[C@@]2(C)C(C)C)n1 ZINC000347277541 133817689 /nfs/dbraw/zinc/81/76/89/133817689.db2.gz ZIMQNXCCNKHUGM-RISCZKNCSA-N 0 0 234.343 3.728 20 30 BHEDRN C=C(C)CCc1noc([C@@H]2C[C@]2(C)C(C)C)n1 ZINC000347277548 386316011 /nfs/dbraw/zinc/31/60/11/386316011.db2.gz ZIMQNXCCNKHUGM-SMDDNHRTSA-N 0 0 234.343 3.728 20 30 BHEDRN C=CCCCNc1cnn(-c2ccccc2)c1C ZINC000347394318 386382357 /nfs/dbraw/zinc/38/23/57/386382357.db2.gz YAAFKMHNPKVKTK-UHFFFAOYSA-N 0 0 241.338 3.559 20 30 BHEDRN CC(=O)c1ccc(C#N)c(NCCC(C)(C)C)c1 ZINC000347401183 387576283 /nfs/dbraw/zinc/57/62/83/387576283.db2.gz QGPNSKYRVHBXKO-UHFFFAOYSA-N 0 0 244.338 3.609 20 30 BHEDRN C=C(CC)CN1Cc2cccc(Cl)c2C1 ZINC000347405709 386390218 /nfs/dbraw/zinc/39/02/18/386390218.db2.gz AZSNPIAMZYDXLP-UHFFFAOYSA-N 0 0 221.731 3.622 20 30 BHEDRN Cc1ccc(C)c(/C=C/c2ccncc2C#N)c1 ZINC000347416952 398025970 /nfs/dbraw/zinc/02/59/70/398025970.db2.gz CSTKPZOSFMLAAT-AATRIKPKSA-N 0 0 234.302 3.741 20 30 BHEDRN Cc1ccc(C)c(/C=C\c2ccncc2C#N)c1 ZINC000347417008 133836523 /nfs/dbraw/zinc/83/65/23/133836523.db2.gz CSTKPZOSFMLAAT-WAYWQWQTSA-N 0 0 234.302 3.741 20 30 BHEDRN N#Cc1cnccc1/C=C\c1cccc(Cl)c1 ZINC000347426795 387639880 /nfs/dbraw/zinc/63/98/80/387639880.db2.gz IKMFJJIVCBXFNC-PLNGDYQASA-N 0 0 240.693 3.777 20 30 BHEDRN N#Cc1cnccc1/C=C/c1cccc(Cl)c1 ZINC000347426796 387639206 /nfs/dbraw/zinc/63/92/06/387639206.db2.gz IKMFJJIVCBXFNC-SNAWJCMRSA-N 0 0 240.693 3.777 20 30 BHEDRN C=CC[C@H]1N(C(=O)CC2(C)CC2)CCCC1(C)C ZINC000347428880 386400123 /nfs/dbraw/zinc/40/01/23/386400123.db2.gz KKNJYJIALVWOJR-CYBMUJFWSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CC[C@@H]1N(C(=O)CC2(C)CC2)CCCC1(C)C ZINC000347428882 386400044 /nfs/dbraw/zinc/40/00/44/386400044.db2.gz KKNJYJIALVWOJR-ZDUSSCGKSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CC[C@@H]1N(C(=O)CC2CCC2)CCCC1(C)C ZINC000347430643 133833281 /nfs/dbraw/zinc/83/32/81/133833281.db2.gz ARNBGFFSJHQJMX-AWEZNQCLSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CC[C@H]1N(C(=O)CC2CCC2)CCCC1(C)C ZINC000347430646 386399330 /nfs/dbraw/zinc/39/93/30/386399330.db2.gz ARNBGFFSJHQJMX-CQSZACIVSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CCCc1nc(C2CCC(C)(C)CC2)no1 ZINC000347453314 386409119 /nfs/dbraw/zinc/40/91/19/386409119.db2.gz AOWFAZJGKMPFDH-UHFFFAOYSA-N 0 0 234.343 3.872 20 30 BHEDRN Cc1ccc(/C=C/c2ccncc2C#N)c(C)c1 ZINC000347455569 387689429 /nfs/dbraw/zinc/68/94/29/387689429.db2.gz XJNIKFBIPALFAO-AATRIKPKSA-N 0 0 234.302 3.741 20 30 BHEDRN Cc1ccc(/C=C\c2ccncc2C#N)c(C)c1 ZINC000347455571 387695144 /nfs/dbraw/zinc/69/51/44/387695144.db2.gz XJNIKFBIPALFAO-WAYWQWQTSA-N 0 0 234.302 3.741 20 30 BHEDRN Cc1cccc(N(CC2(C#N)CC2)C(C)C)c1 ZINC000347491420 386421787 /nfs/dbraw/zinc/42/17/87/386421787.db2.gz VDXVFUUGVKGZGT-UHFFFAOYSA-N 0 0 228.339 3.514 20 30 BHEDRN CC(C)(C#N)c1nc(C2CCC(C)(C)CC2)no1 ZINC000347494127 535006450 /nfs/dbraw/zinc/00/64/50/535006450.db2.gz SGOQAPMBQKGPEA-UHFFFAOYSA-N 0 0 247.342 3.555 20 30 BHEDRN C=CCCC(=O)N1C[C@@H](C(C)C)c2ccccc21 ZINC000347563888 386453029 /nfs/dbraw/zinc/45/30/29/386453029.db2.gz LAZBUDFWNSBADJ-AWEZNQCLSA-N 0 0 243.350 3.739 20 30 BHEDRN C=CCCC(=O)N1C[C@H](C(C)C)c2ccccc21 ZINC000347563889 386452380 /nfs/dbraw/zinc/45/23/80/386452380.db2.gz LAZBUDFWNSBADJ-CQSZACIVSA-N 0 0 243.350 3.739 20 30 BHEDRN C=CCN(C(=O)c1sccc1C(C)C)C1CC1 ZINC000347918361 136018013 /nfs/dbraw/zinc/01/80/13/136018013.db2.gz ULRPVIJIHRZWDW-UHFFFAOYSA-N 0 0 249.379 3.662 20 30 BHEDRN C=CCN(CC=C)C(=O)c1cc(C(C)C)oc1C ZINC000348496527 136094514 /nfs/dbraw/zinc/09/45/14/136094514.db2.gz RJDBTLDYQIGTDH-UHFFFAOYSA-N 0 0 247.338 3.526 20 30 BHEDRN N#Cc1cccc(C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000348524909 387285580 /nfs/dbraw/zinc/28/55/80/387285580.db2.gz KRFKRFAWPVQRGL-KRWDZBQOSA-N 0 0 248.329 3.505 20 30 BHEDRN N#Cc1cccc(C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000348524910 387285425 /nfs/dbraw/zinc/28/54/25/387285425.db2.gz KRFKRFAWPVQRGL-QGZVFWFLSA-N 0 0 248.329 3.505 20 30 BHEDRN N#CCCCN(c1ccccc1F)C1CCCC1 ZINC000348762084 136238474 /nfs/dbraw/zinc/23/84/74/136238474.db2.gz GBEFZGNKMHJPII-UHFFFAOYSA-N 0 0 246.329 3.878 20 30 BHEDRN C[C@@H]1CCCN(CC2(C#N)CC2)c2ccccc21 ZINC000348811381 136239039 /nfs/dbraw/zinc/23/90/39/136239039.db2.gz TYGCMSKZRSIPOI-CYBMUJFWSA-N 0 0 240.350 3.694 20 30 BHEDRN C[C@H]1CCCN(CC2(C#N)CC2)c2ccccc21 ZINC000348811383 136239288 /nfs/dbraw/zinc/23/92/88/136239288.db2.gz TYGCMSKZRSIPOI-ZDUSSCGKSA-N 0 0 240.350 3.694 20 30 BHEDRN N#CCCCN1CCCCc2c(Cl)cccc21 ZINC000348823793 136241263 /nfs/dbraw/zinc/24/12/63/136241263.db2.gz YVZUMEMMQJCNBK-UHFFFAOYSA-N 0 0 248.757 3.786 20 30 BHEDRN C=CCCCCNc1ncnc2oc(C)c(C)c21 ZINC000349087722 534696383 /nfs/dbraw/zinc/69/63/83/534696383.db2.gz ZAFAZSKZAZMSMN-UHFFFAOYSA-N 0 0 245.326 3.608 20 30 BHEDRN C=CCSCc1cc(-c2ccccc2)no1 ZINC000349088951 136323121 /nfs/dbraw/zinc/32/31/21/136323121.db2.gz NDBXAIDUOIMXEU-UHFFFAOYSA-N 0 0 231.320 3.761 20 30 BHEDRN C=CCS[C@@H]1CCc2ccc(F)cc21 ZINC000349090045 534885018 /nfs/dbraw/zinc/88/50/18/534885018.db2.gz VBEXWQOLVWTFCS-GFCCVEGCSA-N 0 0 208.301 3.732 20 30 BHEDRN C=CCS[C@H]1CCc2ccc(F)cc21 ZINC000349090046 534885299 /nfs/dbraw/zinc/88/52/99/534885299.db2.gz VBEXWQOLVWTFCS-LBPRGKRZSA-N 0 0 208.301 3.732 20 30 BHEDRN N#Cc1cnccc1/C=C/c1cc2ccccc2o1 ZINC000349102442 136323562 /nfs/dbraw/zinc/32/35/62/136323562.db2.gz AIWULEWVUIGDBH-AATRIKPKSA-N 0 0 246.269 3.870 20 30 BHEDRN N#Cc1cnccc1/C=C\c1cc2ccccc2o1 ZINC000349102443 136323358 /nfs/dbraw/zinc/32/33/58/136323358.db2.gz AIWULEWVUIGDBH-WAYWQWQTSA-N 0 0 246.269 3.870 20 30 BHEDRN Cc1ccc(F)cc1/C=C\c1ccncc1C#N ZINC000349102873 136323569 /nfs/dbraw/zinc/32/35/69/136323569.db2.gz BMNLAIZHDBLNFJ-ARJAWSKDSA-N 0 0 238.265 3.571 20 30 BHEDRN Cc1ccc(F)cc1/C=C/c1ccncc1C#N ZINC000349102887 136323453 /nfs/dbraw/zinc/32/34/53/136323453.db2.gz BMNLAIZHDBLNFJ-ONEGZZNKSA-N 0 0 238.265 3.571 20 30 BHEDRN Cc1ccc(/C=C\c2ccncc2C#N)cc1F ZINC000349103797 136323450 /nfs/dbraw/zinc/32/34/50/136323450.db2.gz CXNVJSOGAGXEOJ-PLNGDYQASA-N 0 0 238.265 3.571 20 30 BHEDRN Cc1ccc(/C=C/c2ccncc2C#N)cc1F ZINC000349103798 136323435 /nfs/dbraw/zinc/32/34/35/136323435.db2.gz CXNVJSOGAGXEOJ-SNAWJCMRSA-N 0 0 238.265 3.571 20 30 BHEDRN N#Cc1cnccc1/C=C/C=C/c1ccccc1 ZINC000349103854 136323487 /nfs/dbraw/zinc/32/34/87/136323487.db2.gz DILOUBBXLIVATE-KBXRYBNXSA-N 0 0 232.286 3.680 20 30 BHEDRN N#Cc1cnccc1/C=C/C=C\c1ccccc1 ZINC000349103856 136323291 /nfs/dbraw/zinc/32/32/91/136323291.db2.gz DILOUBBXLIVATE-MVTUOISNSA-N 0 0 232.286 3.680 20 30 BHEDRN Cc1ccc(F)c(/C=C\c2ccncc2C#N)c1 ZINC000349105160 136323480 /nfs/dbraw/zinc/32/34/80/136323480.db2.gz GCLPIWFJVSWWCS-ARJAWSKDSA-N 0 0 238.265 3.571 20 30 BHEDRN Cc1ccc(F)c(/C=C/c2ccncc2C#N)c1 ZINC000349105161 136323381 /nfs/dbraw/zinc/32/33/81/136323381.db2.gz GCLPIWFJVSWWCS-ONEGZZNKSA-N 0 0 238.265 3.571 20 30 BHEDRN Cc1cc(F)ccc1/C=C\c1ccncc1C#N ZINC000349105174 136323339 /nfs/dbraw/zinc/32/33/39/136323339.db2.gz GFNUUHGIPIBKKA-IHWYPQMZSA-N 0 0 238.265 3.571 20 30 BHEDRN Cc1cc(F)ccc1/C=C/c1ccncc1C#N ZINC000349105175 136323232 /nfs/dbraw/zinc/32/32/32/136323232.db2.gz GFNUUHGIPIBKKA-NSCUHMNNSA-N 0 0 238.265 3.571 20 30 BHEDRN N#Cc1cnccc1/C=C/c1cc(Cl)cs1 ZINC000349106277 136323383 /nfs/dbraw/zinc/32/33/83/136323383.db2.gz HOXRYGMWGPKRDZ-OWOJBTEDSA-N 0 0 246.722 3.839 20 30 BHEDRN N#Cc1cnccc1/C=C\c1cc(Cl)cs1 ZINC000349106279 136323555 /nfs/dbraw/zinc/32/35/55/136323555.db2.gz HOXRYGMWGPKRDZ-UPHRSURJSA-N 0 0 246.722 3.839 20 30 BHEDRN N#Cc1cnccc1/C=C/c1coc2ccccc12 ZINC000349107053 136323578 /nfs/dbraw/zinc/32/35/78/136323578.db2.gz JKUVDPGBAFQJMO-AATRIKPKSA-N 0 0 246.269 3.870 20 30 BHEDRN N#Cc1cnccc1/C=C\c1coc2ccccc12 ZINC000349107054 136323550 /nfs/dbraw/zinc/32/35/50/136323550.db2.gz JKUVDPGBAFQJMO-WAYWQWQTSA-N 0 0 246.269 3.870 20 30 BHEDRN N#Cc1ccc(/C=C/c2ccc3occc3c2)nc1 ZINC000349108165 136323306 /nfs/dbraw/zinc/32/33/06/136323306.db2.gz KWYPVMPQJUFKNI-DAFODLJHSA-N 0 0 246.269 3.870 20 30 BHEDRN N#Cc1ccc(/C=C\c2ccc3occc3c2)nc1 ZINC000349108166 136323433 /nfs/dbraw/zinc/32/34/33/136323433.db2.gz KWYPVMPQJUFKNI-RJRFIUFISA-N 0 0 246.269 3.870 20 30 BHEDRN N#Cc1cnccc1/C=C/c1ccsc1Cl ZINC000349108605 136323520 /nfs/dbraw/zinc/32/35/20/136323520.db2.gz LUEBCKXEUPJAFL-OWOJBTEDSA-N 0 0 246.722 3.839 20 30 BHEDRN N#Cc1cnccc1/C=C\c1ccsc1Cl ZINC000349108606 136323307 /nfs/dbraw/zinc/32/33/07/136323307.db2.gz LUEBCKXEUPJAFL-UPHRSURJSA-N 0 0 246.722 3.839 20 30 BHEDRN Cc1cc(/C=C/c2ccncc2C#N)ccc1F ZINC000349109331 136323660 /nfs/dbraw/zinc/32/36/60/136323660.db2.gz MZVVIPPVWIBNRM-DUXPYHPUSA-N 0 0 238.265 3.571 20 30 BHEDRN Cc1cc(/C=C\c2ccncc2C#N)ccc1F ZINC000349109332 136323885 /nfs/dbraw/zinc/32/38/85/136323885.db2.gz MZVVIPPVWIBNRM-RQOWECAXSA-N 0 0 238.265 3.571 20 30 BHEDRN N#Cc1cnccc1/C=C/c1ccc(Cl)cc1 ZINC000349113044 136321730 /nfs/dbraw/zinc/32/17/30/136321730.db2.gz PPYGIBCTWNONMD-DAFODLJHSA-N 0 0 240.693 3.777 20 30 BHEDRN N#Cc1cnccc1/C=C\c1ccc(Cl)cc1 ZINC000349113047 136322027 /nfs/dbraw/zinc/32/20/27/136322027.db2.gz PPYGIBCTWNONMD-RJRFIUFISA-N 0 0 240.693 3.777 20 30 BHEDRN N#Cc1cnccc1/C=C/c1ccc(Cl)s1 ZINC000349113592 136321959 /nfs/dbraw/zinc/32/19/59/136321959.db2.gz RVLXRVYLFHGNRV-OWOJBTEDSA-N 0 0 246.722 3.839 20 30 BHEDRN N#Cc1cnccc1/C=C\c1ccc(Cl)s1 ZINC000349113593 136321782 /nfs/dbraw/zinc/32/17/82/136321782.db2.gz RVLXRVYLFHGNRV-UPHRSURJSA-N 0 0 246.722 3.839 20 30 BHEDRN N#Cc1cnccc1/C=C/c1sccc1Cl ZINC000349114508 136322012 /nfs/dbraw/zinc/32/20/12/136322012.db2.gz UQSIBBFAGKXQGE-OWOJBTEDSA-N 0 0 246.722 3.839 20 30 BHEDRN N#Cc1cnccc1/C=C\c1sccc1Cl ZINC000349114509 136321795 /nfs/dbraw/zinc/32/17/95/136321795.db2.gz UQSIBBFAGKXQGE-UPHRSURJSA-N 0 0 246.722 3.839 20 30 BHEDRN N#Cc1cnccc1/C=C/c1ccc2occc2c1 ZINC000349115026 136321912 /nfs/dbraw/zinc/32/19/12/136321912.db2.gz WIVYSTRDOHZNHM-HNQUOIGGSA-N 0 0 246.269 3.870 20 30 BHEDRN N#Cc1cnccc1/C=C\c1ccc2occc2c1 ZINC000349115027 136321966 /nfs/dbraw/zinc/32/19/66/136321966.db2.gz WIVYSTRDOHZNHM-IWQZZHSRSA-N 0 0 246.269 3.870 20 30 BHEDRN Cc1cccc(C)c1/C=C\c1ccncc1C#N ZINC000349115951 136321872 /nfs/dbraw/zinc/32/18/72/136321872.db2.gz YIURGMBEHYLQES-SREVYHEPSA-N 0 0 234.302 3.741 20 30 BHEDRN Cc1cccc(C)c1/C=C/c1ccncc1C#N ZINC000349115952 136322007 /nfs/dbraw/zinc/32/20/07/136322007.db2.gz YIURGMBEHYLQES-VOTSOKGWSA-N 0 0 234.302 3.741 20 30 BHEDRN Cc1cccc(/C=C\c2ccncc2C#N)c1C ZINC000349116294 136321874 /nfs/dbraw/zinc/32/18/74/136321874.db2.gz ZFDYSCTUFMFNIZ-SREVYHEPSA-N 0 0 234.302 3.741 20 30 BHEDRN Cc1cccc(/C=C/c2ccncc2C#N)c1C ZINC000349116296 136321774 /nfs/dbraw/zinc/32/17/74/136321774.db2.gz ZFDYSCTUFMFNIZ-VOTSOKGWSA-N 0 0 234.302 3.741 20 30 BHEDRN N#CC1(CSc2ccc3c(c2)CCC3)CC1 ZINC000349160700 136328075 /nfs/dbraw/zinc/32/80/75/136328075.db2.gz RDYUGFFTWXUYJI-UHFFFAOYSA-N 0 0 229.348 3.571 20 30 BHEDRN N#CC1(CSc2ccc(F)c(Cl)c2)CC1 ZINC000349162030 136328637 /nfs/dbraw/zinc/32/86/37/136328637.db2.gz VJXMFEHRQKMKHE-UHFFFAOYSA-N 0 0 241.718 3.875 20 30 BHEDRN 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366217697 /nfs/dbraw/zinc/21/76/97/366217697.db2.gz PMFCKGTWGFZENC-UHFFFAOYSA-N 0 0 236.290 3.833 20 30 BHEDRN C=C(CC)CNc1cnn(-c2ccccc2)c1C ZINC000349762419 133906334 /nfs/dbraw/zinc/90/63/34/133906334.db2.gz DPLKCIPSFLMWQO-UHFFFAOYSA-N 0 0 241.338 3.559 20 30 BHEDRN C=CCCCCNC(=O)Nc1ccc(C)s1 ZINC000349805346 355466943 /nfs/dbraw/zinc/46/69/43/355466943.db2.gz VLBXTEYGLJSMJQ-UHFFFAOYSA-N 0 0 238.356 3.534 20 30 BHEDRN N#CCCCSc1cc(Cl)ccc1F ZINC000349816530 355468770 /nfs/dbraw/zinc/46/87/70/355468770.db2.gz MTGMJGJLKRMBAM-UHFFFAOYSA-N 0 0 229.707 3.875 20 30 BHEDRN C=C(C)CCSc1nc2nc(C)ccc2o1 ZINC000349817578 355468739 /nfs/dbraw/zinc/46/87/39/355468739.db2.gz XRRAPZCAJFQGEG-UHFFFAOYSA-N 0 0 234.324 3.590 20 30 BHEDRN N#CC1(CSc2cc(Cl)ccc2F)CC1 ZINC000349833758 355489072 /nfs/dbraw/zinc/48/90/72/355489072.db2.gz UTJMLFXYBCOXFG-UHFFFAOYSA-N 0 0 241.718 3.875 20 30 BHEDRN CCN(CCC#N)Cc1ccc(CC(C)C)cc1 ZINC000349839722 355491964 /nfs/dbraw/zinc/49/19/64/355491964.db2.gz 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CC(C)(C#N)CCCSCCCCF ZINC000350782265 534984136 /nfs/dbraw/zinc/98/41/36/534984136.db2.gz VJEANPASZKDDDJ-UHFFFAOYSA-N 0 0 217.353 3.799 20 30 BHEDRN C=C(C)CCSC[C@H]1CCC(C)(C)O1 ZINC000350803545 136363456 /nfs/dbraw/zinc/36/34/56/136363456.db2.gz SQWLFGGGYJTBLV-LLVKDONJSA-N 0 0 214.374 3.643 20 30 BHEDRN C=C(C)CCSC[C@@H]1CCC(C)(C)O1 ZINC000350803546 136363662 /nfs/dbraw/zinc/36/36/62/136363662.db2.gz SQWLFGGGYJTBLV-NSHDSACASA-N 0 0 214.374 3.643 20 30 BHEDRN C=C(C)CCc1noc([C@H](CC)CC(F)F)n1 ZINC000351220691 344733326 /nfs/dbraw/zinc/73/33/26/344733326.db2.gz LOJHSCOAROAETL-SECBINFHSA-N 0 0 244.285 3.727 20 30 BHEDRN C=C(C)CCc1noc([C@@H](CC)CC(F)F)n1 ZINC000351220692 344733500 /nfs/dbraw/zinc/73/35/00/344733500.db2.gz LOJHSCOAROAETL-VIFPVBQESA-N 0 0 244.285 3.727 20 30 BHEDRN C=C(C)CCc1noc([C@@H]2CCC[C@@H](F)C2)n1 ZINC000351306779 366497898 /nfs/dbraw/zinc/49/78/98/366497898.db2.gz ZMNBAZLSNGMKFR-GHMZBOCLSA-N 0 0 238.306 3.574 20 30 BHEDRN C=C(C)CCc1noc([C@@H]2CCC[C@H](F)C2)n1 ZINC000351306780 366497923 /nfs/dbraw/zinc/49/79/23/366497923.db2.gz ZMNBAZLSNGMKFR-MNOVXSKESA-N 0 0 238.306 3.574 20 30 BHEDRN C=C(C)CCc1noc([C@H]2CCC[C@H](F)C2)n1 ZINC000351306781 366497907 /nfs/dbraw/zinc/49/79/07/366497907.db2.gz ZMNBAZLSNGMKFR-QWRGUYRKSA-N 0 0 238.306 3.574 20 30 BHEDRN C=C(C)CCc1noc([C@H]2CCC[C@@H](F)C2)n1 ZINC000351306782 366497941 /nfs/dbraw/zinc/49/79/41/366497941.db2.gz ZMNBAZLSNGMKFR-WDEREUQCSA-N 0 0 238.306 3.574 20 30 BHEDRN C[C@H](CC#N)N(C)Cc1ccc(C2CCC2)cc1 ZINC000351395607 136244862 /nfs/dbraw/zinc/24/48/62/136244862.db2.gz JHALDLAIESCONW-CYBMUJFWSA-N 0 0 242.366 3.688 20 30 BHEDRN C[C@@H](CC#N)N(C)Cc1ccc(C2CCC2)cc1 ZINC000351395608 136245007 /nfs/dbraw/zinc/24/50/07/136245007.db2.gz JHALDLAIESCONW-ZDUSSCGKSA-N 0 0 242.366 3.688 20 30 BHEDRN CC1(C)CC[C@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000351500802 535327943 /nfs/dbraw/zinc/32/79/43/535327943.db2.gz GGPCNIHMVZZZGS-JTQLQIEISA-N 0 0 249.745 3.597 20 30 BHEDRN CC1(C)CC[C@@H](Nc2ncc(C#N)cc2Cl)C1 ZINC000351500808 136368745 /nfs/dbraw/zinc/36/87/45/136368745.db2.gz GGPCNIHMVZZZGS-SNVBAGLBSA-N 0 0 249.745 3.597 20 30 BHEDRN CCC(CC)(CC)CNc1ccc(C#N)nc1 ZINC000351550224 491069616 /nfs/dbraw/zinc/06/96/16/491069616.db2.gz JASZXDQJQMGVPT-UHFFFAOYSA-N 0 0 231.343 3.582 20 30 BHEDRN C=CCCSc1ccc2c(c1)OCCCO2 ZINC000351556799 534786792 /nfs/dbraw/zinc/78/67/92/534786792.db2.gz HJUHEGUPJPQYGD-UHFFFAOYSA-N 0 0 236.336 3.516 20 30 BHEDRN N#Cc1ccc(NCc2ccc3occc3c2)cc1 ZINC000351569165 136247250 /nfs/dbraw/zinc/24/72/50/136247250.db2.gz QGCLVMAYEKSPKE-UHFFFAOYSA-N 0 0 248.285 3.917 20 30 BHEDRN N#Cc1cccc(NCc2ccc3occc3c2)c1 ZINC000351569985 136246977 /nfs/dbraw/zinc/24/69/77/136246977.db2.gz UBBPBCQARZWDKS-UHFFFAOYSA-N 0 0 248.285 3.917 20 30 BHEDRN C=CCCSc1nccn1Cc1ccccc1 ZINC000351571516 534786973 /nfs/dbraw/zinc/78/69/73/534786973.db2.gz RASNFWVPZOWILF-UHFFFAOYSA-N 0 0 244.363 3.600 20 30 BHEDRN C=CCCSc1cccc2cccnc21 ZINC000351580273 534787277 /nfs/dbraw/zinc/78/72/77/534787277.db2.gz LFHOYPVIMUQGOG-UHFFFAOYSA-N 0 0 215.321 3.903 20 30 BHEDRN C=CC[N@@H+](Cc1ccc(C)o1)Cc1ccccc1 ZINC000351583223 136247400 /nfs/dbraw/zinc/24/74/00/136247400.db2.gz NTHGCCPCEXQSLF-UHFFFAOYSA-N 0 0 241.334 3.776 20 30 BHEDRN C=CCCSc1nccn1-c1ccccc1 ZINC000351583659 356021547 /nfs/dbraw/zinc/02/15/47/356021547.db2.gz UVMFFCVUQWVYGB-UHFFFAOYSA-N 0 0 230.336 3.541 20 30 BHEDRN C=C(C)CCc1noc([C@@H](C)c2ccsc2)n1 ZINC000351607579 136369638 /nfs/dbraw/zinc/36/96/38/136369638.db2.gz MEAOXNVMGVWTCY-JTQLQIEISA-N 0 0 248.351 3.792 20 30 BHEDRN C=C(C)CCc1noc([C@H](C)c2ccsc2)n1 ZINC000351607580 136370077 /nfs/dbraw/zinc/37/00/77/136370077.db2.gz MEAOXNVMGVWTCY-SNVBAGLBSA-N 0 0 248.351 3.792 20 30 BHEDRN C=C(C)CCc1noc(/C=C\c2ccc(C)o2)n1 ZINC000351622209 356032136 /nfs/dbraw/zinc/03/21/36/356032136.db2.gz HYVSYTLBQMVBFG-CLFYSBASSA-N 0 0 244.294 3.650 20 30 BHEDRN C=C(C)CCc1noc(/C=C/c2ccc(C)o2)n1 ZINC000351622210 356031797 /nfs/dbraw/zinc/03/17/97/356031797.db2.gz HYVSYTLBQMVBFG-VQHVLOKHSA-N 0 0 244.294 3.650 20 30 BHEDRN C=C(C)CCc1noc([C@@H]2CCC(C)(C)C2)n1 ZINC000351622761 133976476 /nfs/dbraw/zinc/97/64/76/133976476.db2.gz MJNBDIJWDBIBCB-LLVKDONJSA-N 0 0 234.343 3.872 20 30 BHEDRN C=C(C)CCc1noc([C@H]2CCC(C)(C)C2)n1 ZINC000351622762 356031549 /nfs/dbraw/zinc/03/15/49/356031549.db2.gz MJNBDIJWDBIBCB-NSHDSACASA-N 0 0 234.343 3.872 20 30 BHEDRN C=C(C)CCc1noc(/C=C/c2ccsc2)n1 ZINC000351623483 356032504 /nfs/dbraw/zinc/03/25/04/356032504.db2.gz QXJDBEPMBBTVKK-GQCTYLIASA-N 0 0 246.335 3.810 20 30 BHEDRN C=C(C)CCc1noc(/C=C\c2ccsc2)n1 ZINC000351623485 356032813 /nfs/dbraw/zinc/03/28/13/356032813.db2.gz QXJDBEPMBBTVKK-XQRVVYSFSA-N 0 0 246.335 3.810 20 30 BHEDRN C=C(C)CCc1noc(-c2ccc(C)s2)n1 ZINC000351623853 133976769 /nfs/dbraw/zinc/97/67/69/133976769.db2.gz UGMPYZJHQFZRNY-UHFFFAOYSA-N 0 0 234.324 3.615 20 30 BHEDRN C=C(C)CCc1noc([C@H]2CC23CCCC3)n1 ZINC000351641045 356041446 /nfs/dbraw/zinc/04/14/46/356041446.db2.gz LSDGTYQHOPMFRC-LLVKDONJSA-N 0 0 232.327 3.626 20 30 BHEDRN C=C(C)CCc1noc([C@@H]2CC23CCCC3)n1 ZINC000351641055 133978243 /nfs/dbraw/zinc/97/82/43/133978243.db2.gz LSDGTYQHOPMFRC-NSHDSACASA-N 0 0 232.327 3.626 20 30 BHEDRN C=CCC(CC=C)c1nc(CCC(=C)C)no1 ZINC000351641579 356041236 /nfs/dbraw/zinc/04/12/36/356041236.db2.gz ORASFBLEQQUTAZ-UHFFFAOYSA-N 0 0 232.327 3.814 20 30 BHEDRN C=C(C)CCc1noc(C2=C(C)CCC2)n1 ZINC000351641672 356041289 /nfs/dbraw/zinc/04/12/89/356041289.db2.gz QCRKIJWZXKAQTB-UHFFFAOYSA-N 0 0 218.300 3.536 20 30 BHEDRN CCC(C)(C)C(=O)CSc1cccc(C#N)c1 ZINC000351657096 358215470 /nfs/dbraw/zinc/21/54/70/358215470.db2.gz YRIZFVPYGPGWRX-UHFFFAOYSA-N 0 0 247.363 3.656 20 30 BHEDRN N#Cc1cccc(SCC[C@H]2CCCCO2)c1 ZINC000351667665 358216391 /nfs/dbraw/zinc/21/63/91/358216391.db2.gz KMYKBCPKKCIWAU-CYBMUJFWSA-N 0 0 247.363 3.610 20 30 BHEDRN N#Cc1cccc(SCC[C@@H]2CCCCO2)c1 ZINC000351667666 358216292 /nfs/dbraw/zinc/21/62/92/358216292.db2.gz KMYKBCPKKCIWAU-ZDUSSCGKSA-N 0 0 247.363 3.610 20 30 BHEDRN CCC(C)(C)C(=O)CSc1ccc(C#N)cc1 ZINC000351677704 356053941 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/nfs/dbraw/zinc/19/16/36/385191636.db2.gz KIOCWKXNVXCIAT-BFHYXJOUSA-N 0 0 249.398 3.674 20 30 BHEDRN C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)C[C@@H]2C)CC1 ZINC000361689367 385191893 /nfs/dbraw/zinc/19/18/93/385191893.db2.gz KIOCWKXNVXCIAT-HZSPNIEDSA-N 0 0 249.398 3.674 20 30 BHEDRN C=CCCC1(C(=O)N[C@@H]2CC[C@H](C)C[C@@H]2C)CC1 ZINC000361689368 534640820 /nfs/dbraw/zinc/64/08/20/534640820.db2.gz KIOCWKXNVXCIAT-MELADBBJSA-N 0 0 249.398 3.674 20 30 BHEDRN C=CCCC1(C(=O)N[C@@H]2CC[C@@H](C)C[C@H]2C)CC1 ZINC000361689369 534641679 /nfs/dbraw/zinc/64/16/79/534641679.db2.gz KIOCWKXNVXCIAT-MGPQQGTHSA-N 0 0 249.398 3.674 20 30 BHEDRN C=CCCC1(C(=O)N2CCCCC[C@H]2C)CC1 ZINC000361707306 134207239 /nfs/dbraw/zinc/20/72/39/134207239.db2.gz VLDSOYFSVICSLZ-CYBMUJFWSA-N 0 0 235.371 3.524 20 30 BHEDRN C=CCCC1(C(=O)N2CCCCC[C@@H]2C)CC1 ZINC000361707314 134207536 /nfs/dbraw/zinc/20/75/36/134207536.db2.gz VLDSOYFSVICSLZ-ZDUSSCGKSA-N 0 0 235.371 3.524 20 30 BHEDRN C=CCCC1(C(=O)N2CCC[C@@H]3CCC[C@@H]32)CC1 ZINC000361730836 134207453 /nfs/dbraw/zinc/20/74/53/134207453.db2.gz CSSNBRLVHXNXKJ-KBPBESRZSA-N 0 0 247.382 3.524 20 30 BHEDRN C=CCCC1(C(=O)N2CCC[C@H]3CCC[C@@H]32)CC1 ZINC000361730837 134207594 /nfs/dbraw/zinc/20/75/94/134207594.db2.gz CSSNBRLVHXNXKJ-KGLIPLIRSA-N 0 0 247.382 3.524 20 30 BHEDRN C=CCCC1(C(=O)N2CCC[C@@H]3CCC[C@H]32)CC1 ZINC000361730838 134207581 /nfs/dbraw/zinc/20/75/81/134207581.db2.gz CSSNBRLVHXNXKJ-UONOGXRCSA-N 0 0 247.382 3.524 20 30 BHEDRN C=CCCC1(C(=O)N2CCC[C@H]3CCC[C@H]32)CC1 ZINC000361730839 134207333 /nfs/dbraw/zinc/20/73/33/134207333.db2.gz CSSNBRLVHXNXKJ-ZIAGYGMSSA-N 0 0 247.382 3.524 20 30 BHEDRN N#Cc1ccncc1NCCC1=CCCCCC1 ZINC000361744843 181159418 /nfs/dbraw/zinc/15/94/18/181159418.db2.gz ODFUKOKOPUXVLE-UHFFFAOYSA-N 0 0 241.338 3.646 20 30 BHEDRN CC(C)(C)CN(CCCC#N)c1ccccc1 ZINC000361752694 134207526 /nfs/dbraw/zinc/20/75/26/134207526.db2.gz YWJBUXCVZZTYKM-UHFFFAOYSA-N 0 0 230.355 3.843 20 30 BHEDRN N#Cc1ccc(NCCC2=CCCCCC2)cn1 ZINC000361756643 181120502 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534632959 /nfs/dbraw/zinc/63/29/59/534632959.db2.gz DKZJVKZXAGBFPK-HZSPNIEDSA-N 0 0 249.398 3.626 20 30 BHEDRN C=CCCC1(C(=O)N2C[C@H](C)C[C@@H](C)[C@@H]2C)CC1 ZINC000361836212 534632702 /nfs/dbraw/zinc/63/27/02/534632702.db2.gz DKZJVKZXAGBFPK-MCIONIFRSA-N 0 0 249.398 3.626 20 30 BHEDRN C=CCCC1(C(=O)N2C[C@H](C)C[C@@H](C)[C@H]2C)CC1 ZINC000361836213 534633113 /nfs/dbraw/zinc/63/31/13/534633113.db2.gz DKZJVKZXAGBFPK-MGPQQGTHSA-N 0 0 249.398 3.626 20 30 BHEDRN C=CCCC1(C(=O)N2C[C@H](C)C[C@H](C)[C@@H]2C)CC1 ZINC000361836214 346699474 /nfs/dbraw/zinc/69/94/74/346699474.db2.gz DKZJVKZXAGBFPK-RDBSUJKOSA-N 0 0 249.398 3.626 20 30 BHEDRN N#CCCCN1CCCCCc2ccccc21 ZINC000361866380 134208005 /nfs/dbraw/zinc/20/80/05/134208005.db2.gz ABAQFNDUVHCNLT-UHFFFAOYSA-N 0 0 228.339 3.523 20 30 BHEDRN CCC1(CC)CN(CCCC#N)c2ccccc21 ZINC000361872897 134208274 /nfs/dbraw/zinc/20/82/74/134208274.db2.gz JSEQKDMPKQAOIM-UHFFFAOYSA-N 0 0 242.366 3.868 20 30 BHEDRN CC#CCSCc1cc(F)cc2cccnc21 ZINC000361911991 134208064 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356943165 /nfs/dbraw/zinc/94/31/65/356943165.db2.gz XICZPGCVVYSRGV-HIFRSBDPSA-N 0 0 245.366 3.856 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@H](CC)c1ccccc1 ZINC000362231834 356942923 /nfs/dbraw/zinc/94/29/23/356942923.db2.gz XICZPGCVVYSRGV-UKRRQHHQSA-N 0 0 245.366 3.856 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H](CC)c1ccccc1 ZINC000362231835 356943040 /nfs/dbraw/zinc/94/30/40/356943040.db2.gz XICZPGCVVYSRGV-ZFWWWQNUSA-N 0 0 245.366 3.856 20 30 BHEDRN C=CCC(CC=C)C(=O)N1C[C@H]2CCCCC[C@@H]21 ZINC000362241675 534563469 /nfs/dbraw/zinc/56/34/69/534563469.db2.gz XGQVOMSWBRALDK-CABCVRRESA-N 0 0 247.382 3.546 20 30 BHEDRN C=CCC(CC=C)C(=O)N1C[C@@H]2CCCCC[C@@H]21 ZINC000362241676 356943235 /nfs/dbraw/zinc/94/32/35/356943235.db2.gz XGQVOMSWBRALDK-GJZGRUSLSA-N 0 0 247.382 3.546 20 30 BHEDRN C=CCC(CC=C)C(=O)N1C[C@H]2CCCCC[C@H]21 ZINC000362241677 356943266 /nfs/dbraw/zinc/94/32/66/356943266.db2.gz XGQVOMSWBRALDK-HUUCEWRRSA-N 0 0 247.382 3.546 20 30 BHEDRN C=CCC(CC=C)C(=O)N1C[C@@H]2CCCCC[C@H]21 ZINC000362241678 356942668 /nfs/dbraw/zinc/94/26/68/356942668.db2.gz XGQVOMSWBRALDK-LSDHHAIUSA-N 0 0 247.382 3.546 20 30 BHEDRN CC/C=C/CCOc1ccc(C#N)cc1OCC ZINC000362243386 384181273 /nfs/dbraw/zinc/18/12/73/384181273.db2.gz YJLDNEICADWTDW-AATRIKPKSA-N 0 0 245.322 3.692 20 30 BHEDRN CC/C=C\CCOc1ccc(C#N)cc1OCC ZINC000362243387 167859873 /nfs/dbraw/zinc/85/98/73/167859873.db2.gz YJLDNEICADWTDW-WAYWQWQTSA-N 0 0 245.322 3.692 20 30 BHEDRN C=C(CC)CN1C[C@H]2CCC(=O)c3cccc1c32 ZINC000362274477 534401932 /nfs/dbraw/zinc/40/19/32/534401932.db2.gz BTINXQUVVRHMIL-GFCCVEGCSA-N 0 0 241.334 3.533 20 30 BHEDRN C=C(CC)CN1C[C@@H]2CCC(=O)c3cccc1c32 ZINC000362274478 534402856 /nfs/dbraw/zinc/40/28/56/534402856.db2.gz BTINXQUVVRHMIL-LBPRGKRZSA-N 0 0 241.334 3.533 20 30 BHEDRN C=CCC1(C(=O)N(CC)CC(C)(C)C)CCC1 ZINC000362386242 134210955 /nfs/dbraw/zinc/21/09/55/134210955.db2.gz CORWNQXMMCJQCF-UHFFFAOYSA-N 0 0 237.387 3.627 20 30 BHEDRN CC(C)(SCCCC#N)c1ccccc1 ZINC000362394840 535333789 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GNAQQVMUGNSFHN-NWDGAFQWSA-N 0 0 214.374 3.501 20 30 BHEDRN C=CCCCSC[C@H]1CCO[C@@H](C)C1 ZINC000362452252 534745671 /nfs/dbraw/zinc/74/56/71/534745671.db2.gz GNAQQVMUGNSFHN-RYUDHWBXSA-N 0 0 214.374 3.501 20 30 BHEDRN C=CCCCSC[C@@H]1CCO[C@H](C)C1 ZINC000362452254 534745628 /nfs/dbraw/zinc/74/56/28/534745628.db2.gz GNAQQVMUGNSFHN-VXGBXAGGSA-N 0 0 214.374 3.501 20 30 BHEDRN C=CCCCCCSCCn1ccnc1C ZINC000362452255 134211136 /nfs/dbraw/zinc/21/11/36/134211136.db2.gz GNERVHOMLAFAQW-UHFFFAOYSA-N 0 0 238.400 3.671 20 30 BHEDRN CCOCCCSCc1ccc(C#N)c(C)c1 ZINC000362453456 170384648 /nfs/dbraw/zinc/38/46/48/170384648.db2.gz IGRLVDOPDRNXNS-UHFFFAOYSA-N 0 0 249.379 3.527 20 30 BHEDRN C=C(CC)CSC[C@H]1CCO[C@H](C)C1 ZINC000362459773 534420939 /nfs/dbraw/zinc/42/09/39/534420939.db2.gz YUYJLJFAYUXIKM-NEPJUHHUSA-N 0 0 214.374 3.501 20 30 BHEDRN C=C(CC)CSC[C@@H]1CCO[C@@H](C)C1 ZINC000362459774 534421224 /nfs/dbraw/zinc/42/12/24/534421224.db2.gz YUYJLJFAYUXIKM-NWDGAFQWSA-N 0 0 214.374 3.501 20 30 BHEDRN C=C(CC)CSC[C@H]1CCO[C@@H](C)C1 ZINC000362459775 534421187 /nfs/dbraw/zinc/42/11/87/534421187.db2.gz YUYJLJFAYUXIKM-RYUDHWBXSA-N 0 0 214.374 3.501 20 30 BHEDRN C=C(CC)CSC[C@@H]1CCO[C@H](C)C1 ZINC000362459776 534421587 /nfs/dbraw/zinc/42/15/87/534421587.db2.gz YUYJLJFAYUXIKM-VXGBXAGGSA-N 0 0 214.374 3.501 20 30 BHEDRN COCC[C@@H](C)SCc1ccc(C#N)c(C)c1 ZINC000362472652 174388537 /nfs/dbraw/zinc/38/85/37/174388537.db2.gz KMIHSVWJHBHECL-GFCCVEGCSA-N 0 0 249.379 3.525 20 30 BHEDRN COCC[C@H](C)SCc1ccc(C#N)c(C)c1 ZINC000362472653 174410360 /nfs/dbraw/zinc/41/03/60/174410360.db2.gz KMIHSVWJHBHECL-LBPRGKRZSA-N 0 0 249.379 3.525 20 30 BHEDRN C=CCCCCCSCc1nccc(C)n1 ZINC000362473272 259462987 /nfs/dbraw/zinc/46/29/87/259462987.db2.gz MOGUYFWCEVQIBC-UHFFFAOYSA-N 0 0 236.384 3.765 20 30 BHEDRN C=CCC1(C(=O)N2C[C@H](C)C[C@H](C)[C@H]2C)CCC1 ZINC000362501523 134211454 /nfs/dbraw/zinc/21/14/54/134211454.db2.gz FYJTXSKEHUFTCF-HZSPNIEDSA-N 0 0 249.398 3.626 20 30 BHEDRN 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C=CCCNc1c(F)cccc1NC(C)C ZINC000381130955 710603475 /nfs/dbraw/zinc/60/34/75/710603475.db2.gz KRKSDKGYNLTVRJ-UHFFFAOYSA-N 0 0 222.307 3.634 20 30 BHEDRN C=C(C)CNc1c(C)cccc1OC(F)F ZINC000381190928 710607653 /nfs/dbraw/zinc/60/76/53/710607653.db2.gz YSKGGYLBSMTSTR-UHFFFAOYSA-N 0 0 227.254 3.584 20 30 BHEDRN CC1(C)C[C@H]1CNc1c(Cl)cccc1C#N ZINC000381207994 344485620 /nfs/dbraw/zinc/48/56/20/344485620.db2.gz GOYDLKHTNQXWGU-JTQLQIEISA-N 0 0 234.730 3.670 20 30 BHEDRN CC1(C)C[C@@H]1CNc1c(Cl)cccc1C#N ZINC000381207998 344485880 /nfs/dbraw/zinc/48/58/80/344485880.db2.gz GOYDLKHTNQXWGU-SNVBAGLBSA-N 0 0 234.730 3.670 20 30 BHEDRN C=C(C)CNc1ccc(Cl)c(OC(F)F)c1 ZINC000381226843 710610909 /nfs/dbraw/zinc/61/09/09/710610909.db2.gz KBGCBGMVESTAKZ-UHFFFAOYSA-N 0 0 247.672 3.929 20 30 BHEDRN C=C[C@@H](C)Nc1ccnc2c(Cl)cccc12 ZINC000381240525 367368399 /nfs/dbraw/zinc/36/83/99/367368399.db2.gz MYNHVWDFXMSHNZ-SECBINFHSA-N 0 0 232.714 3.875 20 30 BHEDRN C=C[C@H](C)Nc1ccnc2c(Cl)cccc12 ZINC000381240526 367368943 /nfs/dbraw/zinc/36/89/43/367368943.db2.gz MYNHVWDFXMSHNZ-VIFPVBQESA-N 0 0 232.714 3.875 20 30 BHEDRN C=C(C)CNc1ccc(F)cc1OC(C)C ZINC000381240851 710611626 /nfs/dbraw/zinc/61/16/26/710611626.db2.gz NBPJBWIGCWAUIL-UHFFFAOYSA-N 0 0 223.291 3.601 20 30 BHEDRN Cc1cccc(COc2cc(F)cc(C#N)c2)c1 ZINC000381267763 344490538 /nfs/dbraw/zinc/49/05/38/344490538.db2.gz QUOGFFSLXCWSIE-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN C=C(C)CCNc1cccc(C)c1C(C)=O ZINC000381279587 710616126 /nfs/dbraw/zinc/61/61/26/710616126.db2.gz XUTUXSNNKZHHCX-UHFFFAOYSA-N 0 0 217.312 3.576 20 30 BHEDRN C=C(C)CNc1ccc(OC(C)C)cc1F ZINC000381283788 710615534 /nfs/dbraw/zinc/61/55/34/710615534.db2.gz YZFVONKXHTWLCZ-UHFFFAOYSA-N 0 0 223.291 3.601 20 30 BHEDRN CCCC[C@@H]1CCC[C@H]1[NH2+][C@H](CC)CC#N ZINC000381377230 367390415 /nfs/dbraw/zinc/39/04/15/367390415.db2.gz KCTWQNZHEMMOLN-MGPQQGTHSA-N 0 0 222.376 3.627 20 30 BHEDRN C=CC[C@@H](CC)Nc1ccc(C#N)c(Cl)c1 ZINC000381401462 367395328 /nfs/dbraw/zinc/39/53/28/367395328.db2.gz RDFBWSJRCTYKCZ-LLVKDONJSA-N 0 0 234.730 3.978 20 30 BHEDRN C=CC[C@H](CC)Nc1ccc(C#N)c(Cl)c1 ZINC000381401463 367395312 /nfs/dbraw/zinc/39/53/12/367395312.db2.gz RDFBWSJRCTYKCZ-NSHDSACASA-N 0 0 234.730 3.978 20 30 BHEDRN CCCCCCC[C@@H](C)[NH2+]Cc1cocn1 ZINC000381406556 710633276 /nfs/dbraw/zinc/63/32/76/710633276.db2.gz SMIDLCBBXNFJBQ-GFCCVEGCSA-N 0 0 224.348 3.513 20 30 BHEDRN CCCCCCC[C@H](C)[NH2+]Cc1cocn1 ZINC000381406560 710632837 /nfs/dbraw/zinc/63/28/37/710632837.db2.gz SMIDLCBBXNFJBQ-LBPRGKRZSA-N 0 0 224.348 3.513 20 30 BHEDRN C#CCCCNc1c(F)cccc1SCC ZINC000381434129 710636526 /nfs/dbraw/zinc/63/65/26/710636526.db2.gz CFRNWTNEZAJMFO-UHFFFAOYSA-N 0 0 237.343 3.763 20 30 BHEDRN C=CC[C@H](C)[C@H](C)N[C@H](C1CC1)C(F)(F)F ZINC000381444234 345915094 /nfs/dbraw/zinc/91/50/94/345915094.db2.gz FLBPQAPFJUMNFS-ATZCPNFKSA-N 0 0 235.293 3.518 20 30 BHEDRN C=CC[C@H](C)[C@@H](C)N[C@H](C1CC1)C(F)(F)F ZINC000381444235 345914973 /nfs/dbraw/zinc/91/49/73/345914973.db2.gz FLBPQAPFJUMNFS-IQJOONFLSA-N 0 0 235.293 3.518 20 30 BHEDRN C=CC[C@H](C)[C@@H](C)N[C@@H](C1CC1)C(F)(F)F ZINC000381444236 345915062 /nfs/dbraw/zinc/91/50/62/345915062.db2.gz FLBPQAPFJUMNFS-NGZCFLSTSA-N 0 0 235.293 3.518 20 30 BHEDRN C=CC[C@H](C)[C@H](C)N[C@@H](C1CC1)C(F)(F)F ZINC000381444237 345915101 /nfs/dbraw/zinc/91/51/01/345915101.db2.gz FLBPQAPFJUMNFS-QXEWZRGKSA-N 0 0 235.293 3.518 20 30 BHEDRN C=C(CC)CNc1cc(C)cc(OC)c1C ZINC000381445859 367404495 /nfs/dbraw/zinc/40/44/95/367404495.db2.gz FSLJKCGRHLJIIM-UHFFFAOYSA-N 0 0 219.328 3.690 20 30 BHEDRN C#Cc1cccc(N[C@H]2CC=C(C)CC2)c1 ZINC000381447840 710637168 /nfs/dbraw/zinc/63/71/68/710637168.db2.gz GBOYDPOEHSRSKT-AWEZNQCLSA-N 0 0 211.308 3.579 20 30 BHEDRN C#Cc1cccc(N[C@@H]2CC=C(C)CC2)c1 ZINC000381447852 710637648 /nfs/dbraw/zinc/63/76/48/710637648.db2.gz GBOYDPOEHSRSKT-CQSZACIVSA-N 0 0 211.308 3.579 20 30 BHEDRN C=C(C)C[NH2+]C(C)(C)c1cccc(Cl)c1F ZINC000381448948 345922226 /nfs/dbraw/zinc/92/22/26/345922226.db2.gz GJMZTCWBXRRBLK-UHFFFAOYSA-N 0 0 241.737 3.880 20 30 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710646288 /nfs/dbraw/zinc/64/62/88/710646288.db2.gz XHIVTAGASQFWMX-UHFFFAOYSA-N 0 0 237.730 3.564 20 30 BHEDRN C#CCCNc1ccc(OC(C)C)cc1Cl ZINC000381502530 710647906 /nfs/dbraw/zinc/64/79/06/710647906.db2.gz PEUBFIGYVWIIDS-UHFFFAOYSA-N 0 0 237.730 3.562 20 30 BHEDRN C=C(C)CCNc1cccc2c1ccn2C ZINC000381504646 367420322 /nfs/dbraw/zinc/42/03/22/367420322.db2.gz JHINMJATWNCBBD-UHFFFAOYSA-N 0 0 214.312 3.556 20 30 BHEDRN C=C(C)CCNc1ccc(C(C)=O)c(C)c1 ZINC000381505981 367421878 /nfs/dbraw/zinc/42/18/78/367421878.db2.gz PYBLRNNWSHJFGD-UHFFFAOYSA-N 0 0 217.312 3.576 20 30 BHEDRN C=C(CC)CNc1ccc(SC)cc1OC ZINC000381512881 367423718 /nfs/dbraw/zinc/42/37/18/367423718.db2.gz ROKJJZPJNMUWMC-UHFFFAOYSA-N 0 0 237.368 3.795 20 30 BHEDRN Cc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1Cl ZINC000381540609 346303933 /nfs/dbraw/zinc/30/39/33/346303933.db2.gz HRQXJNFEIRTDAN-GHMZBOCLSA-N 0 0 234.730 3.753 20 30 BHEDRN Cc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1Cl ZINC000381540612 346303592 /nfs/dbraw/zinc/30/35/92/346303592.db2.gz HRQXJNFEIRTDAN-MNOVXSKESA-N 0 0 234.730 3.753 20 30 BHEDRN Cc1cccc(N[C@H]2CC[C@H](C#N)C2)c1Cl ZINC000381540613 346303573 /nfs/dbraw/zinc/30/35/73/346303573.db2.gz HRQXJNFEIRTDAN-QWRGUYRKSA-N 0 0 234.730 3.753 20 30 BHEDRN Cc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1Cl ZINC000381540614 346303527 /nfs/dbraw/zinc/30/35/27/346303527.db2.gz HRQXJNFEIRTDAN-WDEREUQCSA-N 0 0 234.730 3.753 20 30 BHEDRN Cc1ccc(N[C@@H]2CC[C@@H](C#N)C2)c(Cl)c1 ZINC000381556799 367430151 /nfs/dbraw/zinc/43/01/51/367430151.db2.gz PIYXYPHTMDBURQ-GHMZBOCLSA-N 0 0 234.730 3.753 20 30 BHEDRN Cc1ccc(N[C@H]2CC[C@@H](C#N)C2)c(Cl)c1 ZINC000381556800 367429756 /nfs/dbraw/zinc/42/97/56/367429756.db2.gz PIYXYPHTMDBURQ-MNOVXSKESA-N 0 0 234.730 3.753 20 30 BHEDRN Cc1ccc(N[C@H]2CC[C@H](C#N)C2)c(Cl)c1 ZINC000381556801 367429866 /nfs/dbraw/zinc/42/98/66/367429866.db2.gz PIYXYPHTMDBURQ-QWRGUYRKSA-N 0 0 234.730 3.753 20 30 BHEDRN Cc1ccc(N[C@@H]2CC[C@H](C#N)C2)c(Cl)c1 ZINC000381556802 367429613 /nfs/dbraw/zinc/42/96/13/367429613.db2.gz PIYXYPHTMDBURQ-WDEREUQCSA-N 0 0 234.730 3.753 20 30 BHEDRN CC(C)SCCC1(C#N)CCCCC1 ZINC000381559348 367430087 /nfs/dbraw/zinc/43/00/87/367430087.db2.gz DOXXBLZMDQLUOE-UHFFFAOYSA-N 0 0 211.374 3.992 20 30 BHEDRN C#Cc1cccc(NCc2ccsc2Cl)c1 ZINC000381586464 710658129 /nfs/dbraw/zinc/65/81/29/710658129.db2.gz HTELYXNRMOXWHS-UHFFFAOYSA-N 0 0 247.750 3.995 20 30 BHEDRN C#CCCCNc1ccc(OCC)c(Cl)c1 ZINC000381590526 710658146 /nfs/dbraw/zinc/65/81/46/710658146.db2.gz JHEXYGLUNZEVPI-UHFFFAOYSA-N 0 0 237.730 3.564 20 30 BHEDRN CCCCC[C@@H](N[C@@H](C#N)CC)C(C)(C)C ZINC000381591997 710658808 /nfs/dbraw/zinc/65/88/08/710658808.db2.gz JXGZZEQRSXGSAX-CHWSQXEVSA-N 0 0 224.392 3.873 20 30 BHEDRN CCCCC[C@H](N[C@@H](C#N)CC)C(C)(C)C ZINC000381592180 710658258 /nfs/dbraw/zinc/65/82/58/710658258.db2.gz JXGZZEQRSXGSAX-OLZOCXBDSA-N 0 0 224.392 3.873 20 30 BHEDRN CCCCC[C@@H](N[C@H](C#N)CC)C(C)(C)C ZINC000381592182 710657981 /nfs/dbraw/zinc/65/79/81/710657981.db2.gz JXGZZEQRSXGSAX-QWHCGFSZSA-N 0 0 224.392 3.873 20 30 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Cl/C=C/CON=Cc1ccsc1Cl ZINC000393556460 711163868 /nfs/dbraw/zinc/16/38/68/711163868.db2.gz OJFXGMHJTSCFHW-NJGREUEQSA-N 0 0 236.123 3.505 20 30 BHEDRN Cl/C=C\CON=Cc1ccsc1Cl ZINC000393556464 711164629 /nfs/dbraw/zinc/16/46/29/711164629.db2.gz OJFXGMHJTSCFHW-QBIKGENYSA-N 0 0 236.123 3.505 20 30 BHEDRN C=CCCCSCc1ncc(C)s1 ZINC000393570403 711164078 /nfs/dbraw/zinc/16/40/78/711164078.db2.gz WLXQEXISKALVJZ-UHFFFAOYSA-N 0 0 213.371 3.651 20 30 BHEDRN C=C(Cl)CSCc1ccc(F)cc1 ZINC000393591849 711165810 /nfs/dbraw/zinc/16/58/10/711165810.db2.gz UNERAAMIRBVFDU-UHFFFAOYSA-N 0 0 216.708 3.811 20 30 BHEDRN C=CC[C@@H](CC)Nc1ccnc(Cl)c1 ZINC000393679176 711169829 /nfs/dbraw/zinc/16/98/29/711169829.db2.gz QOAQMJMYCCSCPB-SECBINFHSA-N 0 0 210.708 3.502 20 30 BHEDRN C=CC[C@H](CC)Nc1ccnc(Cl)c1 ZINC000393679177 711169605 /nfs/dbraw/zinc/16/96/05/711169605.db2.gz QOAQMJMYCCSCPB-VIFPVBQESA-N 0 0 210.708 3.502 20 30 BHEDRN C=CC[C@@H](CC)Nc1nccc(C(C)(C)C)n1 ZINC000393743233 357295288 /nfs/dbraw/zinc/29/52/88/357295288.db2.gz HCZGZLMCRNPFDI-LLVKDONJSA-N 0 0 233.359 3.541 20 30 BHEDRN C=CC[C@H](CC)Nc1nccc(C(C)(C)C)n1 ZINC000393743236 357295363 /nfs/dbraw/zinc/29/53/63/357295363.db2.gz HCZGZLMCRNPFDI-NSHDSACASA-N 0 0 233.359 3.541 20 30 BHEDRN C=CCCCNc1ccc(C(C)=O)c(Cl)c1 ZINC000393755186 259710956 /nfs/dbraw/zinc/71/09/56/259710956.db2.gz RWTYPXPZZRAFKZ-UHFFFAOYSA-N 0 0 237.730 3.921 20 30 BHEDRN C=CC[C@H](CC)Nc1c(F)cc(C#N)cc1F ZINC000393765124 357297760 /nfs/dbraw/zinc/29/77/60/357297760.db2.gz GFZWISSJSGBGPE-JTQLQIEISA-N 0 0 236.265 3.603 20 30 BHEDRN C=CC[C@@H](CC)Nc1c(F)cc(C#N)cc1F ZINC000393765126 357297707 /nfs/dbraw/zinc/29/77/07/357297707.db2.gz GFZWISSJSGBGPE-SNVBAGLBSA-N 0 0 236.265 3.603 20 30 BHEDRN C=CC[C@@H](CC)Nc1ccc([N+](=O)[O-])cc1F ZINC000393771028 387294102 /nfs/dbraw/zinc/29/41/02/387294102.db2.gz JHZJSLMDQMNAJO-SECBINFHSA-N 0 0 238.262 3.501 20 30 BHEDRN C=CC[C@H](CC)Nc1ccc([N+](=O)[O-])cc1F ZINC000393771032 387294240 /nfs/dbraw/zinc/29/42/40/387294240.db2.gz JHZJSLMDQMNAJO-VIFPVBQESA-N 0 0 238.262 3.501 20 30 BHEDRN C=CC[C@H](CC)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000393779174 388442075 /nfs/dbraw/zinc/44/20/75/388442075.db2.gz PRWPVRAKEXEKIW-JTQLQIEISA-N 0 0 238.262 3.501 20 30 BHEDRN C=CC[C@@H](CC)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000393779175 388442260 /nfs/dbraw/zinc/44/22/60/388442260.db2.gz PRWPVRAKEXEKIW-SNVBAGLBSA-N 0 0 238.262 3.501 20 30 BHEDRN C=CC[C@@H](CC)Nc1cccc(F)c1[N+](=O)[O-] ZINC000393785452 711174379 /nfs/dbraw/zinc/17/43/79/711174379.db2.gz XFLIDCJUTXECJM-SECBINFHSA-N 0 0 238.262 3.501 20 30 BHEDRN C=CC[C@H](CC)Nc1cccc(F)c1[N+](=O)[O-] ZINC000393785455 711174812 /nfs/dbraw/zinc/17/48/12/711174812.db2.gz XFLIDCJUTXECJM-VIFPVBQESA-N 0 0 238.262 3.501 20 30 BHEDRN N#Cc1cc(Cl)cc(OCCCCCF)c1 ZINC000393786829 384017292 /nfs/dbraw/zinc/01/72/92/384017292.db2.gz ONOKSBCIEGBMRT-UHFFFAOYSA-N 0 0 241.693 3.730 20 30 BHEDRN C=CCCNc1cc(F)ccc1OC(C)C ZINC000393794720 388443234 /nfs/dbraw/zinc/44/32/34/388443234.db2.gz IJTVXVOBOPTLTK-UHFFFAOYSA-N 0 0 223.291 3.601 20 30 BHEDRN C=CC[C@H](CC)Nc1ncnc2c(C)csc21 ZINC000393796364 388443084 /nfs/dbraw/zinc/44/30/84/388443084.db2.gz JZVDZBNJELYHGS-JTQLQIEISA-N 0 0 247.367 3.766 20 30 BHEDRN C=CC[C@@H](CC)Nc1ncnc2c(C)csc21 ZINC000393796372 352469905 /nfs/dbraw/zinc/46/99/05/352469905.db2.gz JZVDZBNJELYHGS-SNVBAGLBSA-N 0 0 247.367 3.766 20 30 BHEDRN C=CC[C@H](CC)[NH2+][C@@H](C)c1cccc(F)c1F ZINC000393798575 388443029 /nfs/dbraw/zinc/44/30/29/388443029.db2.gz LBQCBYJTPPZYRK-QWRGUYRKSA-N 0 0 239.309 3.970 20 30 BHEDRN C=CC[C@@H](CC)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000393800274 357300230 /nfs/dbraw/zinc/30/02/30/357300230.db2.gz LYSDDAIXFQPCDD-LLVKDONJSA-N 0 0 234.299 3.670 20 30 BHEDRN C=CC[C@H](CC)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000393800275 357300482 /nfs/dbraw/zinc/30/04/82/357300482.db2.gz LYSDDAIXFQPCDD-NSHDSACASA-N 0 0 234.299 3.670 20 30 BHEDRN C=CCCCNc1cccc(C(=O)CC)c1 ZINC000393805275 259712964 /nfs/dbraw/zinc/71/29/64/259712964.db2.gz WGWYEXUAOYOUBU-UHFFFAOYSA-N 0 0 217.312 3.657 20 30 BHEDRN C=CC[C@@H](CC)Nc1ccnc(C(F)(F)F)c1 ZINC000393807704 357301082 /nfs/dbraw/zinc/30/10/82/357301082.db2.gz REZODMIYUCMRGA-SECBINFHSA-N 0 0 244.260 3.867 20 30 BHEDRN C=CC[C@H](CC)Nc1ccnc(C(F)(F)F)c1 ZINC000393807706 357301288 /nfs/dbraw/zinc/30/12/88/357301288.db2.gz REZODMIYUCMRGA-VIFPVBQESA-N 0 0 244.260 3.867 20 30 BHEDRN C=C(C)CNc1ccccc1NC(C)(C)C ZINC000393809270 711175908 /nfs/dbraw/zinc/17/59/08/711175908.db2.gz RLCWSYVKYKCVRE-UHFFFAOYSA-N 0 0 218.344 3.885 20 30 BHEDRN C=CC[C@H](CC)Nc1cc(C(F)(F)F)ccn1 ZINC000393810519 357301315 /nfs/dbraw/zinc/30/13/15/357301315.db2.gz UPPYTJIZLDUKDP-JTQLQIEISA-N 0 0 244.260 3.867 20 30 BHEDRN C=CC[C@@H](CC)Nc1cc(C(F)(F)F)ccn1 ZINC000393810520 357301013 /nfs/dbraw/zinc/30/10/13/357301013.db2.gz UPPYTJIZLDUKDP-SNVBAGLBSA-N 0 0 244.260 3.867 20 30 BHEDRN C=CC[C@H](CC)Nc1ccc(C(F)(F)F)cn1 ZINC000393811033 357301038 /nfs/dbraw/zinc/30/10/38/357301038.db2.gz VOBNEEKGPCLIGW-JTQLQIEISA-N 0 0 244.260 3.867 20 30 BHEDRN C=CC[C@@H](CC)Nc1ccc(C(F)(F)F)cn1 ZINC000393811034 357301009 /nfs/dbraw/zinc/30/10/09/357301009.db2.gz VOBNEEKGPCLIGW-SNVBAGLBSA-N 0 0 244.260 3.867 20 30 BHEDRN C=CC[C@@H](CC)Nc1cccc(C(F)(F)F)n1 ZINC000393811716 347362515 /nfs/dbraw/zinc/36/25/15/347362515.db2.gz WRRKOQGHLQTDTI-SECBINFHSA-N 0 0 244.260 3.867 20 30 BHEDRN C=CC[C@H](CC)Nc1cccc(C(F)(F)F)n1 ZINC000393811717 357301283 /nfs/dbraw/zinc/30/12/83/357301283.db2.gz WRRKOQGHLQTDTI-VIFPVBQESA-N 0 0 244.260 3.867 20 30 BHEDRN C=CCCNc1ccc(Cl)cc1OC(F)F ZINC000393825300 259713669 /nfs/dbraw/zinc/71/36/69/259713669.db2.gz OUAWOYRMYKGXEV-UHFFFAOYSA-N 0 0 247.672 3.929 20 30 BHEDRN C=CCC(C)(C)CNc1ccc(F)cc1C#N ZINC000393866822 385913433 /nfs/dbraw/zinc/91/34/33/385913433.db2.gz PYOYSQDOZXPDKQ-UHFFFAOYSA-N 0 0 232.302 3.712 20 30 BHEDRN C=CCCCCCCNc1cccnc1C#N ZINC000393889202 711679394 /nfs/dbraw/zinc/67/93/94/711679394.db2.gz XXVZDJHBEMUMRR-UHFFFAOYSA-N 0 0 229.327 3.502 20 30 BHEDRN N#Cc1ccc(Cl)cc1N[C@@H]1CCC[C@@H]1F ZINC000393948358 344006825 /nfs/dbraw/zinc/00/68/25/344006825.db2.gz SIKIYHIMLJHLAR-WDEREUQCSA-N 0 0 238.693 3.514 20 30 BHEDRN CCCC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000394063266 384325255 /nfs/dbraw/zinc/32/52/55/384325255.db2.gz CRCPPBLDMCOAAW-GFCCVEGCSA-N 0 0 248.345 3.708 20 30 BHEDRN CCCC[C@H](C)[N@H+](C)Cc1cc(F)ccc1C#N ZINC000394063267 384325354 /nfs/dbraw/zinc/32/53/54/384325354.db2.gz CRCPPBLDMCOAAW-LBPRGKRZSA-N 0 0 248.345 3.708 20 30 BHEDRN CCCCCCC[NH2+][C@@H](C)c1cscn1 ZINC000394473444 711192886 /nfs/dbraw/zinc/19/28/86/711192886.db2.gz ZDRIIMUGGUNBMD-NSHDSACASA-N 0 0 226.389 3.764 20 30 BHEDRN CC1(CNc2cccc(OCC#N)c2)CCCC1 ZINC000394625735 711196964 /nfs/dbraw/zinc/19/69/64/711196964.db2.gz FTUARVXDEUVHNS-UHFFFAOYSA-N 0 0 244.338 3.581 20 30 BHEDRN N#CCc1ccc(N[C@H]2CCCC23CCC3)cc1 ZINC000394808775 262748660 /nfs/dbraw/zinc/74/86/60/262748660.db2.gz IUQBSRQEJMGYHJ-HNNXBMFYSA-N 0 0 240.350 3.887 20 30 BHEDRN N#CCc1ccc(N[C@@H]2CCCC23CCC3)cc1 ZINC000394808777 262748397 /nfs/dbraw/zinc/74/83/97/262748397.db2.gz IUQBSRQEJMGYHJ-OAHLLOKOSA-N 0 0 240.350 3.887 20 30 BHEDRN C[C@H]1CCCC[C@@H]1CNc1ccc(CC#N)cc1 ZINC000394849597 357383534 /nfs/dbraw/zinc/38/35/34/357383534.db2.gz HDZRRYHPCPFTCP-DZGCQCFKSA-N 0 0 242.366 3.991 20 30 BHEDRN C[C@@H]1CCCC[C@H]1CNc1ccc(CC#N)cc1 ZINC000394849611 357383496 /nfs/dbraw/zinc/38/34/96/357383496.db2.gz HDZRRYHPCPFTCP-HIFRSBDPSA-N 0 0 242.366 3.991 20 30 BHEDRN C[C@@H]1CCCC[C@@H]1CNc1ccc(CC#N)cc1 ZINC000394849615 357383341 /nfs/dbraw/zinc/38/33/41/357383341.db2.gz HDZRRYHPCPFTCP-UKRRQHHQSA-N 0 0 242.366 3.991 20 30 BHEDRN C[C@H]1CCCC[C@H]1CNc1ccc(CC#N)cc1 ZINC000394849620 357383541 /nfs/dbraw/zinc/38/35/41/357383541.db2.gz HDZRRYHPCPFTCP-ZFWWWQNUSA-N 0 0 242.366 3.991 20 30 BHEDRN C[C@H](COc1cccc(C#N)c1)c1ccccc1 ZINC000395063717 323186641 /nfs/dbraw/zinc/18/66/41/323186641.db2.gz WCASNFCUNQOEMC-CYBMUJFWSA-N 0 0 237.302 3.741 20 30 BHEDRN C[C@@H](COc1cccc(C#N)c1)c1ccccc1 ZINC000395063722 323186744 /nfs/dbraw/zinc/18/67/44/323186744.db2.gz WCASNFCUNQOEMC-ZDUSSCGKSA-N 0 0 237.302 3.741 20 30 BHEDRN C=C(C)CCNc1ccc(C(=O)CC)cc1 ZINC000395270483 362393896 /nfs/dbraw/zinc/39/38/96/362393896.db2.gz LZBBIDVWVCWAEO-UHFFFAOYSA-N 0 0 217.312 3.657 20 30 BHEDRN C=CCCCCCCNC(=O)NC(C)(C)CC ZINC000396005471 711217984 /nfs/dbraw/zinc/21/79/84/711217984.db2.gz AEKHZYZMEMPULQ-UHFFFAOYSA-N 0 0 240.391 3.611 20 30 BHEDRN N#CCCCOc1cc(C(F)(F)F)ccc1F ZINC000396339414 398324618 /nfs/dbraw/zinc/32/46/18/398324618.db2.gz WYESWRVKSPWZKB-UHFFFAOYSA-N 0 0 247.191 3.527 20 30 BHEDRN C[C@@H](CNc1ccc(C#N)cc1)CC(F)(F)F ZINC000396950256 385869967 /nfs/dbraw/zinc/86/99/67/385869967.db2.gz POWFURSUZCWAGG-SECBINFHSA-N 0 0 242.244 3.559 20 30 BHEDRN C[C@H](CNc1ccc(C#N)cc1)CC(F)(F)F ZINC000396950258 385870007 /nfs/dbraw/zinc/87/00/07/385870007.db2.gz POWFURSUZCWAGG-VIFPVBQESA-N 0 0 242.244 3.559 20 30 BHEDRN C[C@@H](Nc1cccc(CC#N)c1)[C@H]1CC1(C)C ZINC000397596203 388482025 /nfs/dbraw/zinc/48/20/25/388482025.db2.gz DBKRCAFSFQQZKP-BXUZGUMPSA-N 0 0 228.339 3.599 20 30 BHEDRN C[C@H](Nc1cccc(CC#N)c1)[C@@H]1CC1(C)C ZINC000397596208 384759667 /nfs/dbraw/zinc/75/96/67/384759667.db2.gz DBKRCAFSFQQZKP-FZMZJTMJSA-N 0 0 228.339 3.599 20 30 BHEDRN C[C@@H](Nc1cccc(CC#N)c1)[C@@H]1CC1(C)C ZINC000397596210 384758161 /nfs/dbraw/zinc/75/81/61/384758161.db2.gz DBKRCAFSFQQZKP-RISCZKNCSA-N 0 0 228.339 3.599 20 30 BHEDRN C[C@H](Nc1cccc(CC#N)c1)[C@H]1CC1(C)C ZINC000397596213 384759369 /nfs/dbraw/zinc/75/93/69/384759369.db2.gz DBKRCAFSFQQZKP-SMDDNHRTSA-N 0 0 228.339 3.599 20 30 BHEDRN C[C@@H](Nc1ccc(CC#N)cc1)[C@H]1CC1(C)C ZINC000397731444 398122681 /nfs/dbraw/zinc/12/26/81/398122681.db2.gz ZYJKCQCQOYTDKW-BXUZGUMPSA-N 0 0 228.339 3.599 20 30 BHEDRN C[C@H](Nc1ccc(CC#N)cc1)[C@@H]1CC1(C)C ZINC000397731448 262930984 /nfs/dbraw/zinc/93/09/84/262930984.db2.gz ZYJKCQCQOYTDKW-FZMZJTMJSA-N 0 0 228.339 3.599 20 30 BHEDRN C[C@@H](Nc1ccc(CC#N)cc1)[C@@H]1CC1(C)C ZINC000397731449 398121995 /nfs/dbraw/zinc/12/19/95/398121995.db2.gz ZYJKCQCQOYTDKW-RISCZKNCSA-N 0 0 228.339 3.599 20 30 BHEDRN C[C@H](Nc1ccc(CC#N)cc1)[C@H]1CC1(C)C ZINC000397731450 262930958 /nfs/dbraw/zinc/93/09/58/262930958.db2.gz ZYJKCQCQOYTDKW-SMDDNHRTSA-N 0 0 228.339 3.599 20 30 BHEDRN CC(C)=CCCNc1nc(C)c(C#N)cc1Cl ZINC000397807918 385713035 /nfs/dbraw/zinc/71/30/35/385713035.db2.gz YOWIQNNZGRRVKW-UHFFFAOYSA-N 0 0 249.745 3.683 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1ccc(F)c(C)c1 ZINC000398065484 357833970 /nfs/dbraw/zinc/83/39/70/357833970.db2.gz DGGKYQCVSVCYKW-GFCCVEGCSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1ccc(F)c(C)c1 ZINC000398065492 357833926 /nfs/dbraw/zinc/83/39/26/357833926.db2.gz DGGKYQCVSVCYKW-LBPRGKRZSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1ccc(C)cc1F ZINC000398159457 357851979 /nfs/dbraw/zinc/85/19/79/357851979.db2.gz VRIIBPFNMPGVSN-GFCCVEGCSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1ccc(C)cc1F ZINC000398159461 357851732 /nfs/dbraw/zinc/85/17/32/357851732.db2.gz VRIIBPFNMPGVSN-LBPRGKRZSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1cccc(C)c1F ZINC000398167166 357855997 /nfs/dbraw/zinc/85/59/97/357855997.db2.gz XVYFBWKTICOTQN-GFCCVEGCSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1cccc(C)c1F ZINC000398167167 357855834 /nfs/dbraw/zinc/85/58/34/357855834.db2.gz XVYFBWKTICOTQN-LBPRGKRZSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC[C@@H](C)Nc1cc(C(C)C)ncn1 ZINC000398194123 357860224 /nfs/dbraw/zinc/86/02/24/357860224.db2.gz BWMNASQDRPRXTN-GFCCVEGCSA-N 0 0 233.359 3.757 20 30 BHEDRN C=CCCC[C@H](C)Nc1cc(C(C)C)ncn1 ZINC000398194127 357860337 /nfs/dbraw/zinc/86/03/37/357860337.db2.gz BWMNASQDRPRXTN-LBPRGKRZSA-N 0 0 233.359 3.757 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1cc(C)cs1 ZINC000398197548 322866133 /nfs/dbraw/zinc/86/61/33/322866133.db2.gz DFENOOPAHDRTET-LLVKDONJSA-N 0 0 237.368 3.531 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1cc(C)cs1 ZINC000398197551 384836720 /nfs/dbraw/zinc/83/67/20/384836720.db2.gz DFENOOPAHDRTET-NSHDSACASA-N 0 0 237.368 3.531 20 30 BHEDRN C=CCCC[C@H](C)Nc1ncnc2ccsc21 ZINC000398230166 357868038 /nfs/dbraw/zinc/86/80/38/357868038.db2.gz RZSJNEJMKRWYPO-JTQLQIEISA-N 0 0 247.367 3.848 20 30 BHEDRN C=CCCC[C@@H](C)Nc1ncnc2ccsc21 ZINC000398230168 357867878 /nfs/dbraw/zinc/86/78/78/357867878.db2.gz RZSJNEJMKRWYPO-SNVBAGLBSA-N 0 0 247.367 3.848 20 30 BHEDRN C=CCCC[C@@H](C)Nc1ncnc2ccccc21 ZINC000398240780 357869255 /nfs/dbraw/zinc/86/92/55/357869255.db2.gz YTRUTLNXTAMVPA-GFCCVEGCSA-N 0 0 241.338 3.787 20 30 BHEDRN C=CCCC[C@H](C)Nc1ncnc2ccccc21 ZINC000398240781 357868812 /nfs/dbraw/zinc/86/88/12/357868812.db2.gz YTRUTLNXTAMVPA-LBPRGKRZSA-N 0 0 241.338 3.787 20 30 BHEDRN Cc1nc(N2C[C@@H](C)c3ccccc32)ccc1C#N ZINC000398492341 386027137 /nfs/dbraw/zinc/02/71/37/386027137.db2.gz DSEBBHIGEFDQPX-LLVKDONJSA-N 0 0 249.317 3.517 20 30 BHEDRN Cc1nc(N2C[C@H](C)c3ccccc32)ccc1C#N ZINC000398492344 386027827 /nfs/dbraw/zinc/02/78/27/386027827.db2.gz DSEBBHIGEFDQPX-NSHDSACASA-N 0 0 249.317 3.517 20 30 BHEDRN C[C@@H]1CN(Cc2ccc(C#N)cc2)c2ccccc21 ZINC000398516974 352550524 /nfs/dbraw/zinc/55/05/24/352550524.db2.gz UDGZHPOAEZIUEG-CYBMUJFWSA-N 0 0 248.329 3.682 20 30 BHEDRN CCCCSCc1ccc(CC#N)cc1 ZINC000399014014 357893412 /nfs/dbraw/zinc/89/34/12/357893412.db2.gz DWEYJIVAYPOBKS-UHFFFAOYSA-N 0 0 219.353 3.786 20 30 BHEDRN CC(C)CSCc1ccc(CC#N)cc1 ZINC000399014282 357893423 /nfs/dbraw/zinc/89/34/23/357893423.db2.gz DZWLIXPTKSFFQS-UHFFFAOYSA-N 0 0 219.353 3.642 20 30 BHEDRN Cc1ccccc1NCc1ccc(CC#N)cc1 ZINC000399064556 357894987 /nfs/dbraw/zinc/89/49/87/357894987.db2.gz AZKCNXSWBVYWNL-UHFFFAOYSA-N 0 0 236.318 3.673 20 30 BHEDRN N#CCc1ccc(CSC2CCCC2)cc1 ZINC000399092152 357895665 /nfs/dbraw/zinc/89/56/65/357895665.db2.gz UIEZFIMDCTZMIJ-UHFFFAOYSA-N 0 0 231.364 3.928 20 30 BHEDRN Cc1ccc(NCc2ccc(CC#N)cc2)cc1 ZINC000399102939 357896230 /nfs/dbraw/zinc/89/62/30/357896230.db2.gz GZPMNXZCFGMEHM-UHFFFAOYSA-N 0 0 236.318 3.673 20 30 BHEDRN 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237.306 3.568 20 30 BHEDRN Cc1cc(SC2CCCCC2)c(C#N)cn1 ZINC000399456405 356700863 /nfs/dbraw/zinc/70/08/63/356700863.db2.gz OPHZTQHMOJFUOD-UHFFFAOYSA-N 0 0 232.352 3.687 20 30 BHEDRN N#Cc1cnccc1Sc1ccc(Cl)cc1 ZINC000399458175 356700811 /nfs/dbraw/zinc/70/08/11/356700811.db2.gz BAJUWXGLMXKGSS-UHFFFAOYSA-N 0 0 246.722 3.758 20 30 BHEDRN N#Cc1cnccc1Sc1ccccc1Cl ZINC000399481071 356954522 /nfs/dbraw/zinc/95/45/22/356954522.db2.gz FDTNAIPPKRKOIE-UHFFFAOYSA-N 0 0 246.722 3.758 20 30 BHEDRN N#Cc1cnccc1Sc1cccc(Cl)c1 ZINC000399508428 342735911 /nfs/dbraw/zinc/73/59/11/342735911.db2.gz MOIXUNUYSMUVOG-UHFFFAOYSA-N 0 0 246.722 3.758 20 30 BHEDRN N#Cc1cnccc1Oc1ccc(F)cc1Cl ZINC000399550157 356976181 /nfs/dbraw/zinc/97/61/81/356976181.db2.gz CNQNFQNCJDADMN-UHFFFAOYSA-N 0 0 248.644 3.538 20 30 BHEDRN Cc1cc(Oc2ccncc2C#N)ccc1Cl ZINC000399557501 356976807 /nfs/dbraw/zinc/97/68/07/356976807.db2.gz FLVGQSVNZXODFP-UHFFFAOYSA-N 0 0 244.681 3.707 20 30 BHEDRN Cc1ccc(Cl)cc1Oc1ccncc1C#N ZINC000399557549 356976932 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BHEDRN C=CCCCCCN1Cc2cccc(C#N)c2C1 ZINC000405081825 369444954 /nfs/dbraw/zinc/44/49/54/369444954.db2.gz PWDLPIHWGGULAJ-UHFFFAOYSA-N 0 0 240.350 3.620 20 30 BHEDRN N#CC1(CNCc2ccccc2Cl)CCCC1 ZINC000405129943 351858408 /nfs/dbraw/zinc/85/84/08/351858408.db2.gz MIAYBCBZEMAHTB-UHFFFAOYSA-N 0 0 248.757 3.514 20 30 BHEDRN N#CC1(CNCc2cccc(Cl)c2)CCCC1 ZINC000405130129 351858607 /nfs/dbraw/zinc/85/86/07/351858607.db2.gz MQMNJGPXHZMIEM-UHFFFAOYSA-N 0 0 248.757 3.514 20 30 BHEDRN N#CC1(CNCc2ccc(Cl)cc2)CCCC1 ZINC000405145351 369446555 /nfs/dbraw/zinc/44/65/55/369446555.db2.gz WUMRLHYYKJXXKB-UHFFFAOYSA-N 0 0 248.757 3.514 20 30 BHEDRN CC(C)(CCN(CC#N)C1CCCC1)C1CC1 ZINC000406085807 369487897 /nfs/dbraw/zinc/48/78/97/369487897.db2.gz WCEPDLDVBQUJRB-UHFFFAOYSA-N 0 0 234.387 3.581 20 30 BHEDRN CC(C)(CCNc1cccc(CC#N)c1)C1CC1 ZINC000406113511 369489231 /nfs/dbraw/zinc/48/92/31/369489231.db2.gz NSOSVNOHKOTREM-UHFFFAOYSA-N 0 0 242.366 3.991 20 30 BHEDRN CCC1CCC(c2noc(C(C)(C)C#N)n2)CC1 ZINC000408226579 535323501 /nfs/dbraw/zinc/32/35/01/535323501.db2.gz QKQVPQBJNAZGIH-UHFFFAOYSA-N 0 0 247.342 3.555 20 30 BHEDRN C=C(C)CN(Cc1cccs1)CC(F)(F)F ZINC000409444472 191011380 /nfs/dbraw/zinc/01/13/80/191011380.db2.gz JYORSIUZGGQDHC-UHFFFAOYSA-N 0 0 249.301 3.689 20 30 BHEDRN C=CCCC(=O)N[C@@H](CCC)C1CCCCC1 ZINC000409494967 410090073 /nfs/dbraw/zinc/09/00/73/410090073.db2.gz JTMHCPVZGDPSBY-AWEZNQCLSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCC(=O)N[C@H](CCC)C1CCCCC1 ZINC000409494968 219834439 /nfs/dbraw/zinc/83/44/39/219834439.db2.gz JTMHCPVZGDPSBY-CQSZACIVSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCc1ccccc1NC[C@@H]1CCCOC1 ZINC000409835872 191019661 /nfs/dbraw/zinc/01/96/61/191019661.db2.gz LTNLNKIXABCAKV-AWEZNQCLSA-N 0 0 245.366 3.644 20 30 BHEDRN C=CCCc1ccccc1NC[C@H]1CCCOC1 ZINC000409835873 191019915 /nfs/dbraw/zinc/01/99/15/191019915.db2.gz LTNLNKIXABCAKV-CQSZACIVSA-N 0 0 245.366 3.644 20 30 BHEDRN C=CCCc1ccccc1NCCCCOC ZINC000409850777 191019107 /nfs/dbraw/zinc/01/91/07/191019107.db2.gz VVDMHLQVMIMEQV-UHFFFAOYSA-N 0 0 233.355 3.644 20 30 BHEDRN C=CCCc1ccccc1NCC1CCOCC1 ZINC000409852038 191019277 /nfs/dbraw/zinc/01/92/77/191019277.db2.gz BZULSCTYFSTTHL-UHFFFAOYSA-N 0 0 245.366 3.644 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1ccoc1CCC ZINC000409897142 191019113 /nfs/dbraw/zinc/01/91/13/191019113.db2.gz MJPZEDSPRKYPAJ-GFCCVEGCSA-N 0 0 249.354 3.707 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1ccoc1CCC ZINC000409897143 191019160 /nfs/dbraw/zinc/01/91/60/191019160.db2.gz MJPZEDSPRKYPAJ-LBPRGKRZSA-N 0 0 249.354 3.707 20 30 BHEDRN C=CCCc1ccccc1NCCOC(C)C ZINC000409900139 191019920 /nfs/dbraw/zinc/01/99/20/191019920.db2.gz QUPJNMLWZKYPSN-UHFFFAOYSA-N 0 0 233.355 3.642 20 30 BHEDRN CCCC[C@@H](C)C(=O)Nc1cccc(C#N)c1C ZINC000409993392 191021752 /nfs/dbraw/zinc/02/17/52/191021752.db2.gz OXJKCDHBBPLWLF-LLVKDONJSA-N 0 0 244.338 3.632 20 30 BHEDRN CCCC[C@H](C)C(=O)Nc1cccc(C#N)c1C ZINC000409993393 191022210 /nfs/dbraw/zinc/02/22/10/191022210.db2.gz OXJKCDHBBPLWLF-NSHDSACASA-N 0 0 244.338 3.632 20 30 BHEDRN C=CCCCNC(=O)c1cccc(C2CCC2)c1 ZINC000410003885 191021705 /nfs/dbraw/zinc/02/17/05/191021705.db2.gz NWEPQHGUFFCHFJ-UHFFFAOYSA-N 0 0 243.350 3.650 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)[C@H](C)CCCC ZINC000410009533 191021979 /nfs/dbraw/zinc/02/19/79/191021979.db2.gz FZZAGNQVPHETME-CHWSQXEVSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@H](C)CCCC ZINC000410009534 191021880 /nfs/dbraw/zinc/02/18/80/191021880.db2.gz FZZAGNQVPHETME-OLZOCXBDSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)[C@@H](C)CCCC ZINC000410009535 191022184 /nfs/dbraw/zinc/02/21/84/191022184.db2.gz FZZAGNQVPHETME-QWHCGFSZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@@H](C)CCCC ZINC000410009536 191021739 /nfs/dbraw/zinc/02/17/39/191021739.db2.gz FZZAGNQVPHETME-STQMWFEESA-N 0 0 225.376 3.674 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)C[C@H](C)CC(C)C ZINC000410118725 191023827 /nfs/dbraw/zinc/02/38/27/191023827.db2.gz BSQIFDPXWKJBHY-CHWSQXEVSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C[C@H](C)CC(C)C ZINC000410118726 191023917 /nfs/dbraw/zinc/02/39/17/191023917.db2.gz BSQIFDPXWKJBHY-OLZOCXBDSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)C[C@@H](C)CC(C)C ZINC000410118727 191024687 /nfs/dbraw/zinc/02/46/87/191024687.db2.gz BSQIFDPXWKJBHY-QWHCGFSZSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C[C@@H](C)CC(C)C ZINC000410118728 191023666 /nfs/dbraw/zinc/02/36/66/191023666.db2.gz BSQIFDPXWKJBHY-STQMWFEESA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)C[C@@H](CC)C(C)C ZINC000410118865 191024263 /nfs/dbraw/zinc/02/42/63/191024263.db2.gz IVEACGSKKKKVCH-CHWSQXEVSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C[C@@H](CC)C(C)C ZINC000410118866 191024473 /nfs/dbraw/zinc/02/44/73/191024473.db2.gz IVEACGSKKKKVCH-OLZOCXBDSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)C[C@H](CC)C(C)C ZINC000410118867 191023693 /nfs/dbraw/zinc/02/36/93/191023693.db2.gz IVEACGSKKKKVCH-QWHCGFSZSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C[C@H](CC)C(C)C ZINC000410118868 191024392 /nfs/dbraw/zinc/02/43/92/191024392.db2.gz IVEACGSKKKKVCH-STQMWFEESA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@@H](C)C(CC)CC ZINC000410119595 191024525 /nfs/dbraw/zinc/02/45/25/191024525.db2.gz DXMHVOMTCMCOJT-AAEUAGOBSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@H](C)C(CC)CC ZINC000410119597 191023756 /nfs/dbraw/zinc/02/37/56/191023756.db2.gz DXMHVOMTCMCOJT-DGCLKSJQSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@@H](C)C(CC)CC ZINC000410119599 191023854 /nfs/dbraw/zinc/02/38/54/191023854.db2.gz DXMHVOMTCMCOJT-WCQYABFASA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@H](C)C(CC)CC ZINC000410119602 191024398 /nfs/dbraw/zinc/02/43/98/191024398.db2.gz DXMHVOMTCMCOJT-YPMHNXCESA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@H]1CC[C@H](CC)CC1 ZINC000410119895 191024289 /nfs/dbraw/zinc/02/42/89/191024289.db2.gz FGWCIAQZZIHGHO-IHRRRGAJSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@H]1CC[C@H](CC)CC1 ZINC000410119896 191024640 /nfs/dbraw/zinc/02/46/40/191024640.db2.gz FGWCIAQZZIHGHO-MGPQQGTHSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000410120715 191024181 /nfs/dbraw/zinc/02/41/81/191024181.db2.gz HOGLSEBYYCVEMQ-CHWSQXEVSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000410120716 191023933 /nfs/dbraw/zinc/02/39/33/191023933.db2.gz HOGLSEBYYCVEMQ-OLZOCXBDSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000410120717 191024554 /nfs/dbraw/zinc/02/45/54/191024554.db2.gz HOGLSEBYYCVEMQ-QWHCGFSZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000410120719 191023679 /nfs/dbraw/zinc/02/36/79/191023679.db2.gz HOGLSEBYYCVEMQ-STQMWFEESA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)c1ccc(CCC)cc1 ZINC000410121716 191023778 /nfs/dbraw/zinc/02/37/78/191023778.db2.gz ABISSEFZAGVYLA-HNNXBMFYSA-N 0 0 245.366 3.724 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)c1ccc(CCC)cc1 ZINC000410121717 191023721 /nfs/dbraw/zinc/02/37/21/191023721.db2.gz ABISSEFZAGVYLA-OAHLLOKOSA-N 0 0 245.366 3.724 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)CC(C)(C)CCC ZINC000410125022 191024168 /nfs/dbraw/zinc/02/41/68/191024168.db2.gz MIRQUZDXWNENEV-GFCCVEGCSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)CC(C)(C)CCC ZINC000410125023 191024103 /nfs/dbraw/zinc/02/41/03/191024103.db2.gz MIRQUZDXWNENEV-LBPRGKRZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@H](CCC)C(C)C ZINC000410125221 191023704 /nfs/dbraw/zinc/02/37/04/191023704.db2.gz XHIYJJXGZCNGJK-CHWSQXEVSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@@H](CCC)C(C)C ZINC000410125222 191023995 /nfs/dbraw/zinc/02/39/95/191023995.db2.gz XHIYJJXGZCNGJK-OLZOCXBDSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@H](CCC)C(C)C ZINC000410125223 191023880 /nfs/dbraw/zinc/02/38/80/191023880.db2.gz XHIYJJXGZCNGJK-QWHCGFSZSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@@H](CCC)C(C)C ZINC000410125224 191024592 /nfs/dbraw/zinc/02/45/92/191024592.db2.gz XHIYJJXGZCNGJK-STQMWFEESA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@@H](C)CC1CCCC1 ZINC000410125475 191024229 /nfs/dbraw/zinc/02/42/29/191024229.db2.gz XZWGVAHHYKHKEG-GXTWGEPZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@@H](C)CC1CCCC1 ZINC000410125476 191024487 /nfs/dbraw/zinc/02/44/87/191024487.db2.gz XZWGVAHHYKHKEG-JSGCOSHPSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@H](C)CC1CCCC1 ZINC000410125477 191024079 /nfs/dbraw/zinc/02/40/79/191024079.db2.gz XZWGVAHHYKHKEG-OCCSQVGLSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@H](C)CC1CCCC1 ZINC000410125478 191024314 /nfs/dbraw/zinc/02/43/14/191024314.db2.gz XZWGVAHHYKHKEG-TZMCWYRMSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)CC1CCCCCC1 ZINC000410127345 191024395 /nfs/dbraw/zinc/02/43/95/191024395.db2.gz LTDVSNCRQDAHBO-AWEZNQCLSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)CC1CCCCCC1 ZINC000410127346 191024540 /nfs/dbraw/zinc/02/45/40/191024540.db2.gz LTDVSNCRQDAHBO-CQSZACIVSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000410127445 191024666 /nfs/dbraw/zinc/02/46/66/191024666.db2.gz NEQOTKHQDNAJTG-IHRRRGAJSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000410127446 191024490 /nfs/dbraw/zinc/02/44/90/191024490.db2.gz NEQOTKHQDNAJTG-MCIONIFRSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000410127447 191024599 /nfs/dbraw/zinc/02/45/99/191024599.db2.gz NEQOTKHQDNAJTG-MJBXVCDLSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000410127448 191023873 /nfs/dbraw/zinc/02/38/73/191023873.db2.gz NEQOTKHQDNAJTG-RDBSUJKOSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@H](C)CC(C)(C)C ZINC000410127664 191024441 /nfs/dbraw/zinc/02/44/41/191024441.db2.gz NRTJVCFDEHWUNK-NEPJUHHUSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@@H](C)CC(C)(C)C ZINC000410127665 191023863 /nfs/dbraw/zinc/02/38/63/191023863.db2.gz NRTJVCFDEHWUNK-NWDGAFQWSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@@H](C)CC(C)(C)C ZINC000410127667 191024494 /nfs/dbraw/zinc/02/44/94/191024494.db2.gz NRTJVCFDEHWUNK-RYUDHWBXSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@H](C)CC(C)(C)C ZINC000410127668 191023847 /nfs/dbraw/zinc/02/38/47/191023847.db2.gz NRTJVCFDEHWUNK-VXGBXAGGSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@@H](C)c1cccc(C)c1 ZINC000410127698 191024353 /nfs/dbraw/zinc/02/43/53/191024353.db2.gz CLDMEUOHNZHSBM-DZGCQCFKSA-N 0 0 245.366 3.569 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@H](C)c1cccc(C)c1 ZINC000410127700 191024151 /nfs/dbraw/zinc/02/41/51/191024151.db2.gz CLDMEUOHNZHSBM-HIFRSBDPSA-N 0 0 245.366 3.569 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@H](C)c1cccc(C)c1 ZINC000410127702 191024456 /nfs/dbraw/zinc/02/44/56/191024456.db2.gz CLDMEUOHNZHSBM-UKRRQHHQSA-N 0 0 245.366 3.569 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@@H](C)c1cccc(C)c1 ZINC000410127703 191023921 /nfs/dbraw/zinc/02/39/21/191023921.db2.gz CLDMEUOHNZHSBM-ZFWWWQNUSA-N 0 0 245.366 3.569 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@H](C)CCC(C)(C)C ZINC000410128219 191024244 /nfs/dbraw/zinc/02/42/44/191024244.db2.gz QWAZNQRYUSONHX-CHWSQXEVSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@H](C)CCC(C)(C)C ZINC000410128220 191024134 /nfs/dbraw/zinc/02/41/34/191024134.db2.gz QWAZNQRYUSONHX-OLZOCXBDSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@@H](C)CCC(C)(C)C ZINC000410128221 191023750 /nfs/dbraw/zinc/02/37/50/191023750.db2.gz QWAZNQRYUSONHX-QWHCGFSZSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@@H](C)CCC(C)(C)C ZINC000410128222 191024148 /nfs/dbraw/zinc/02/41/48/191024148.db2.gz QWAZNQRYUSONHX-STQMWFEESA-N 0 0 239.403 3.920 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)CCCC(C)(C)C ZINC000410129772 191024248 /nfs/dbraw/zinc/02/42/48/191024248.db2.gz GOKHASPGPFPCBZ-GFCCVEGCSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)CCCC(C)(C)C ZINC000410129773 191024246 /nfs/dbraw/zinc/02/42/46/191024246.db2.gz GOKHASPGPFPCBZ-LBPRGKRZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)c1cc(C)c(F)c(C)c1 ZINC000410130263 191024483 /nfs/dbraw/zinc/02/44/83/191024483.db2.gz LUQUBNBULWVHJK-CYBMUJFWSA-N 0 0 249.329 3.527 20 30 BHEDRN C=CC[C@H](CC)NC(=O)c1cc(C)c(F)c(C)c1 ZINC000410130264 191024505 /nfs/dbraw/zinc/02/45/05/191024505.db2.gz LUQUBNBULWVHJK-ZDUSSCGKSA-N 0 0 249.329 3.527 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@H]1CCCCC1(C)C ZINC000410131051 191023904 /nfs/dbraw/zinc/02/39/04/191023904.db2.gz PIKVDXAMMDFTAK-CHWSQXEVSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@@H]1CCCCC1(C)C ZINC000410131052 191024416 /nfs/dbraw/zinc/02/44/16/191024416.db2.gz PIKVDXAMMDFTAK-OLZOCXBDSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@H]1CCCCC1(C)C ZINC000410131053 191024627 /nfs/dbraw/zinc/02/46/27/191024627.db2.gz PIKVDXAMMDFTAK-QWHCGFSZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@@H]1CCCCC1(C)C ZINC000410131054 191023973 /nfs/dbraw/zinc/02/39/73/191023973.db2.gz PIKVDXAMMDFTAK-STQMWFEESA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)c1ccc(C(C)C)cc1 ZINC000410131568 191024327 /nfs/dbraw/zinc/02/43/27/191024327.db2.gz SCCCATMICVHONO-HNNXBMFYSA-N 0 0 245.366 3.895 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)c1ccc(C(C)C)cc1 ZINC000410131569 191024267 /nfs/dbraw/zinc/02/42/67/191024267.db2.gz SCCCATMICVHONO-OAHLLOKOSA-N 0 0 245.366 3.895 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)CC1(C)CCCCC1 ZINC000410134094 191023952 /nfs/dbraw/zinc/02/39/52/191023952.db2.gz GJCJNSGGAWTNNI-CYBMUJFWSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CC[C@H](CC)NC(=O)CC1(C)CCCCC1 ZINC000410134095 191023761 /nfs/dbraw/zinc/02/37/61/191023761.db2.gz GJCJNSGGAWTNNI-ZDUSSCGKSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C[C@@H](C)C(C)(C)C ZINC000410134246 191024637 /nfs/dbraw/zinc/02/46/37/191024637.db2.gz HHZZBGVPMGNTPP-NEPJUHHUSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)C[C@H](C)C(C)(C)C ZINC000410134248 191024000 /nfs/dbraw/zinc/02/40/00/191024000.db2.gz HHZZBGVPMGNTPP-NWDGAFQWSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C[C@H](C)C(C)(C)C ZINC000410134249 191023967 /nfs/dbraw/zinc/02/39/67/191023967.db2.gz HHZZBGVPMGNTPP-RYUDHWBXSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)C[C@@H](C)C(C)(C)C ZINC000410134251 191023724 /nfs/dbraw/zinc/02/37/24/191023724.db2.gz HHZZBGVPMGNTPP-VXGBXAGGSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000410138009 191024232 /nfs/dbraw/zinc/02/42/32/191024232.db2.gz ZOBQLXCZUYBRDQ-BZPMIXESSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000410138010 191023992 /nfs/dbraw/zinc/02/39/92/191023992.db2.gz ZOBQLXCZUYBRDQ-DGAVXFQQSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000410138011 191023698 /nfs/dbraw/zinc/02/36/98/191023698.db2.gz ZOBQLXCZUYBRDQ-OBJOEFQTSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000410138012 191024561 /nfs/dbraw/zinc/02/45/61/191024561.db2.gz ZOBQLXCZUYBRDQ-ZOBORPQBSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CC[C@H](CC)NC(=O)CCCC1CCCC1 ZINC000410138150 191024433 /nfs/dbraw/zinc/02/44/33/191024433.db2.gz CWFOTLFGPCNYTH-AWEZNQCLSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)CCCC1CCCC1 ZINC000410138151 191024643 /nfs/dbraw/zinc/02/46/43/191024643.db2.gz CWFOTLFGPCNYTH-CQSZACIVSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)C1CCC(C)(C)CC1 ZINC000410138747 191024083 /nfs/dbraw/zinc/02/40/83/191024083.db2.gz HJXDEOHCGSCLKW-CYBMUJFWSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)C1CCC(C)(C)CC1 ZINC000410138748 191024255 /nfs/dbraw/zinc/02/42/55/191024255.db2.gz HJXDEOHCGSCLKW-ZDUSSCGKSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)CCC1CCCCC1 ZINC000410142236 191024537 /nfs/dbraw/zinc/02/45/37/191024537.db2.gz KFBKVPJIPDYTIL-AWEZNQCLSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)CCC1CCCCC1 ZINC000410142237 191023671 /nfs/dbraw/zinc/02/36/71/191023671.db2.gz KFBKVPJIPDYTIL-CQSZACIVSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)CC1CCC(C)CC1 ZINC000410146962 191024663 /nfs/dbraw/zinc/02/46/63/191024663.db2.gz FPUUKXYRRLDSOT-JXQTWKCFSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](CC)NC(=O)CC1CCC(C)CC1 ZINC000410146963 191024316 /nfs/dbraw/zinc/02/43/16/191024316.db2.gz FPUUKXYRRLDSOT-RUXDESIVSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCc1ccccc1OCCC(C)(C)C#N ZINC000410301102 191028083 /nfs/dbraw/zinc/02/80/83/191028083.db2.gz QYOCAYRLAMWNHN-UHFFFAOYSA-N 0 0 229.323 3.734 20 30 BHEDRN Cc1cccc(OCCC(C)(C)C#N)c1Cl ZINC000410315022 191027623 /nfs/dbraw/zinc/02/76/23/191027623.db2.gz GMOZEGSZRACLSI-UHFFFAOYSA-N 0 0 237.730 3.967 20 30 BHEDRN CC(C)(C#N)CCOc1cc(Cl)ccc1F ZINC000410315188 191027401 /nfs/dbraw/zinc/02/74/01/191027401.db2.gz HMFQCZMEZRTRAU-UHFFFAOYSA-N 0 0 241.693 3.798 20 30 BHEDRN CC(C)Oc1cccc(OCCC(C)(C)C#N)c1 ZINC000410316233 191027259 /nfs/dbraw/zinc/02/72/59/191027259.db2.gz YRGKVTCTFRXZJD-UHFFFAOYSA-N 0 0 247.338 3.792 20 30 BHEDRN CC(C)Oc1ccc(OCCC(C)(C)C#N)cc1 ZINC000410316984 191028403 /nfs/dbraw/zinc/02/84/03/191028403.db2.gz QMRFFKUFCJDSQT-UHFFFAOYSA-N 0 0 247.338 3.792 20 30 BHEDRN Cc1cccc(Cl)c1OCCC(C)(C)C#N ZINC000410317875 191027060 /nfs/dbraw/zinc/02/70/60/191027060.db2.gz UIXMKACAZJHYPF-UHFFFAOYSA-N 0 0 237.730 3.967 20 30 BHEDRN C=CCCc1ccccc1NC(=O)[C@H]1CC1(C)C ZINC000410342680 191028108 /nfs/dbraw/zinc/02/81/08/191028108.db2.gz AAPQNCNRHUKGLU-CYBMUJFWSA-N 0 0 243.350 3.790 20 30 BHEDRN C=CCCc1ccccc1NC(=O)CC(C)C ZINC000410342938 191028114 /nfs/dbraw/zinc/02/81/14/191028114.db2.gz CPWUOQCAGCEELD-UHFFFAOYSA-N 0 0 231.339 3.790 20 30 BHEDRN C=CCCc1ccccc1NC(=O)CCC ZINC000410346623 191027216 /nfs/dbraw/zinc/02/72/16/191027216.db2.gz WNGNOEAVXPDDMC-UHFFFAOYSA-N 0 0 217.312 3.544 20 30 BHEDRN C=CCCc1ccccc1NC(=O)[C@@H]1CC1(C)C ZINC000410347257 191027774 /nfs/dbraw/zinc/02/77/74/191027774.db2.gz 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ZINC000410532043 191046324 /nfs/dbraw/zinc/04/63/24/191046324.db2.gz FKNFHLSFIHZCTB-ZIAGYGMSSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CC(C)(C)C(=O)Nc1cc(CC)ccc1CC ZINC000410533738 191045805 /nfs/dbraw/zinc/04/58/05/191045805.db2.gz JYUJJGBJHKZYTR-UHFFFAOYSA-N 0 0 245.366 3.962 20 30 BHEDRN C=CC(C)(C)C(=O)N[C@H]1CCC(C)(C)C[C@H]1C ZINC000410538061 191045269 /nfs/dbraw/zinc/04/52/69/191045269.db2.gz ACMHTVDTNPJGNP-NEPJUHHUSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CC(C)(C)C(=O)N[C@@H]1CCC(C)(C)C[C@@H]1C ZINC000410538063 191045436 /nfs/dbraw/zinc/04/54/36/191045436.db2.gz ACMHTVDTNPJGNP-NWDGAFQWSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CC(C)(C)C(=O)N[C@H]1CCC(C)(C)C[C@@H]1C ZINC000410538065 191044652 /nfs/dbraw/zinc/04/46/52/191044652.db2.gz ACMHTVDTNPJGNP-RYUDHWBXSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CC(C)(C)C(=O)N[C@@H]1CCC(C)(C)C[C@H]1C ZINC000410538066 191045511 /nfs/dbraw/zinc/04/55/11/191045511.db2.gz ACMHTVDTNPJGNP-VXGBXAGGSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CC(C)(C)C(=O)N(C)C1CCC(C)(C)CC1 ZINC000410566126 191132818 /nfs/dbraw/zinc/13/28/18/191132818.db2.gz XMWSEAKVHQPTRZ-UHFFFAOYSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CC(C)(C)C(=O)Nc1cc(F)cc(Cl)c1 ZINC000410578965 191145050 /nfs/dbraw/zinc/14/50/50/191145050.db2.gz VTXWFPAPXNECPM-UHFFFAOYSA-N 0 0 241.693 3.630 20 30 BHEDRN C=CCC1(C(=O)N(C)[C@H](C)C2CCC2)CCCC1 ZINC000410655863 386450518 /nfs/dbraw/zinc/45/05/18/386450518.db2.gz ILZOBJCCRLHREC-CYBMUJFWSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CCC1(C(=O)N(C)[C@@H](C)C2CCC2)CCCC1 ZINC000410655864 386452103 /nfs/dbraw/zinc/45/21/03/386452103.db2.gz ILZOBJCCRLHREC-ZDUSSCGKSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CCN(C(=O)[C@H](CCC)CC(C)C)C1CC1 ZINC000410662060 386461551 /nfs/dbraw/zinc/46/15/51/386461551.db2.gz KOJSHHMUIWDRDN-CYBMUJFWSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CCN(C(=O)[C@@H](CCC)CC(C)C)C1CC1 ZINC000410662063 386462236 /nfs/dbraw/zinc/46/22/36/386462236.db2.gz KOJSHHMUIWDRDN-ZDUSSCGKSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CCN(C(=O)C1(CC=C)CCCCC1)C1CC1 ZINC000410666212 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FGJDXFMWRHUHGD-UHFFFAOYSA-N 0 0 248.757 3.632 20 30 BHEDRN C=CCCCSCc1cn2cccc(C)c2n1 ZINC000439543781 388008677 /nfs/dbraw/zinc/00/86/77/388008677.db2.gz RKCKUVFDVVVCHC-UHFFFAOYSA-N 0 0 246.379 3.842 20 30 BHEDRN C=CCCCSCc1cn2ccccc2n1 ZINC000439546065 388004976 /nfs/dbraw/zinc/00/49/76/388004976.db2.gz VACSOLNKQNUPCG-UHFFFAOYSA-N 0 0 232.352 3.534 20 30 BHEDRN CCC1(CNc2ncc(C#N)cc2Cl)CCC1 ZINC000439599169 398311631 /nfs/dbraw/zinc/31/16/31/398311631.db2.gz RZOKRVVFOLVDNA-UHFFFAOYSA-N 0 0 249.745 3.599 20 30 BHEDRN CC(C)CCOCCSc1ccccc1C#N ZINC000439699223 201459630 /nfs/dbraw/zinc/45/96/30/201459630.db2.gz CLPQTRPCVPBNDE-UHFFFAOYSA-N 0 0 249.379 3.713 20 30 BHEDRN CC(C)(C#N)CCSc1ccccc1C#N ZINC000439706117 388014870 /nfs/dbraw/zinc/01/48/70/388014870.db2.gz VZFZLLVVWTVOIP-UHFFFAOYSA-N 0 0 230.336 3.590 20 30 BHEDRN C=CCCCSc1ccccc1C#N ZINC000439712814 388014214 /nfs/dbraw/zinc/01/42/14/388014214.db2.gz XJBIIUWAQMHKOT-UHFFFAOYSA-N 0 0 203.310 3.617 20 30 BHEDRN N#Cc1ccccc1S[C@@H]1C=CCCC1 ZINC000439716896 201460027 /nfs/dbraw/zinc/46/00/27/201460027.db2.gz JBSAWGLHNMUGJC-GFCCVEGCSA-N 0 0 215.321 3.759 20 30 BHEDRN N#Cc1ccccc1S[C@H]1C=CCCC1 ZINC000439716897 387326003 /nfs/dbraw/zinc/32/60/03/387326003.db2.gz JBSAWGLHNMUGJC-LBPRGKRZSA-N 0 0 215.321 3.759 20 30 BHEDRN CC(C)(C)CSCCOc1ccccc1C#N ZINC000440580641 387343556 /nfs/dbraw/zinc/34/35/56/387343556.db2.gz CCFBREGKZZMXBK-UHFFFAOYSA-N 0 0 249.379 3.716 20 30 BHEDRN CC[C@@H](F)CSc1ccc(C#N)cc1F ZINC000440581399 201495034 /nfs/dbraw/zinc/49/50/34/201495034.db2.gz MRRNKYZMDGYYBS-SECBINFHSA-N 0 0 227.279 3.538 20 30 BHEDRN CC[C@H](F)CSc1ccc(C#N)cc1F ZINC000440581404 387345338 /nfs/dbraw/zinc/34/53/38/387345338.db2.gz MRRNKYZMDGYYBS-VIFPVBQESA-N 0 0 227.279 3.538 20 30 BHEDRN CC(C)(C)CSCc1ccc(F)cc1C#N ZINC000440584055 387345470 /nfs/dbraw/zinc/34/54/70/387345470.db2.gz UROROJVTFGXVCX-UHFFFAOYSA-N 0 0 237.343 3.977 20 30 BHEDRN CC(C)(C)CSCc1ccccc1C#N ZINC000440585199 387364448 /nfs/dbraw/zinc/36/44/48/387364448.db2.gz QRKUMRSTGDZMTG-UHFFFAOYSA-N 0 0 219.353 3.838 20 30 BHEDRN CC(C)(C)CSCCOc1ccc(C#N)cc1 ZINC000440585719 387364048 /nfs/dbraw/zinc/36/40/48/387364048.db2.gz UHXHOBWVTCEVTG-UHFFFAOYSA-N 0 0 249.379 3.716 20 30 BHEDRN CC(C)(C)CSCc1cc(F)ccc1C#N ZINC000440586654 387363420 /nfs/dbraw/zinc/36/34/20/387363420.db2.gz DNLGHRNVIZRYSK-UHFFFAOYSA-N 0 0 237.343 3.977 20 30 BHEDRN COc1ccc(C#N)cc1CSCC(C)(C)C ZINC000440586692 387364611 /nfs/dbraw/zinc/36/46/11/387364611.db2.gz FAISOHXVSZUUHK-UHFFFAOYSA-N 0 0 249.379 3.846 20 30 BHEDRN COc1ccc(CSCC(C)(C)C)cc1C#N ZINC000440588819 387364137 /nfs/dbraw/zinc/36/41/37/387364137.db2.gz QELIHUASPGXFIO-UHFFFAOYSA-N 0 0 249.379 3.846 20 30 BHEDRN CC(C)(C)CSCc1ccc(F)c(C#N)c1 ZINC000440589160 387364223 /nfs/dbraw/zinc/36/42/23/387364223.db2.gz DMKVAIIDSVFNRM-UHFFFAOYSA-N 0 0 237.343 3.977 20 30 BHEDRN COc1cc(C#N)ccc1CSCC(C)(C)C ZINC000440589362 387363104 /nfs/dbraw/zinc/36/31/04/387363104.db2.gz SNEZLCYPWRULIO-UHFFFAOYSA-N 0 0 249.379 3.846 20 30 BHEDRN CC(C)(C)CSCc1cccc(C#N)c1F ZINC000440590757 387363283 /nfs/dbraw/zinc/36/32/83/387363283.db2.gz ZSMFZQMURHBZJK-UHFFFAOYSA-N 0 0 237.343 3.977 20 30 BHEDRN CC(C)(C)CSCc1ccc(C#N)cc1F ZINC000440591074 387364169 /nfs/dbraw/zinc/36/41/69/387364169.db2.gz NYOBVMYNEAETSM-UHFFFAOYSA-N 0 0 237.343 3.977 20 30 BHEDRN CC(C)(C)CSCCOc1cccc(C#N)c1 ZINC000440594584 398329378 /nfs/dbraw/zinc/32/93/78/398329378.db2.gz LVTVQPHMRUEDMQ-UHFFFAOYSA-N 0 0 249.379 3.716 20 30 BHEDRN CC(C)(C)CSCC#Cc1ccccc1 ZINC000440596193 388059867 /nfs/dbraw/zinc/05/98/67/388059867.db2.gz QGDOVOBKCFRRSG-UHFFFAOYSA-N 0 0 218.365 3.817 20 30 BHEDRN CC(C)(C)CSCc1ccc(C#N)c(F)c1 ZINC000440599799 201497584 /nfs/dbraw/zinc/49/75/84/201497584.db2.gz ZKZPBPOSVXMEOM-UHFFFAOYSA-N 0 0 237.343 3.977 20 30 BHEDRN CC(C)(C)CSCc1cc(C#N)ccc1F ZINC000440601038 387372436 /nfs/dbraw/zinc/37/24/36/387372436.db2.gz SKFXIKCCSMTVNR-UHFFFAOYSA-N 0 0 237.343 3.977 20 30 BHEDRN CCN(CCCC#N)c1ccc(Cl)c(F)c1 ZINC000440607904 388062074 /nfs/dbraw/zinc/06/20/74/388062074.db2.gz GOCQWVNJONXKQJ-UHFFFAOYSA-N 0 0 240.709 3.609 20 30 BHEDRN CCN(CCCC#N)c1ccc(Cl)cc1F ZINC000440623984 388061634 /nfs/dbraw/zinc/06/16/34/388061634.db2.gz LCYDFJFAMWPJBC-UHFFFAOYSA-N 0 0 240.709 3.609 20 30 BHEDRN C=CCCCNc1ccnc2c(OC)cccc12 ZINC000440633466 388063424 /nfs/dbraw/zinc/06/34/24/388063424.db2.gz GSTOLOKWBJGOCK-UHFFFAOYSA-N 0 0 242.322 3.622 20 30 BHEDRN C=CC[C@H](CC)Nc1ncnc2c(F)cccc12 ZINC000440638107 201500063 /nfs/dbraw/zinc/50/00/63/201500063.db2.gz LDKNUFDJONBBIT-JTQLQIEISA-N 0 0 245.301 3.536 20 30 BHEDRN C=CC[C@@H](CC)Nc1ncnc2c(F)cccc12 ZINC000440638114 201499533 /nfs/dbraw/zinc/49/95/33/201499533.db2.gz LDKNUFDJONBBIT-SNVBAGLBSA-N 0 0 245.301 3.536 20 30 BHEDRN C=CC[C@H](CC)Nc1ncc(Cl)c(C)c1C#N ZINC000440641099 388063130 /nfs/dbraw/zinc/06/31/30/388063130.db2.gz YSUXMYIUPOKWHZ-JTQLQIEISA-N 0 0 249.745 3.682 20 30 BHEDRN C=CC[C@@H](CC)Nc1ncc(Cl)c(C)c1C#N ZINC000440641100 388063580 /nfs/dbraw/zinc/06/35/80/388063580.db2.gz YSUXMYIUPOKWHZ-SNVBAGLBSA-N 0 0 249.745 3.682 20 30 BHEDRN C=CC[C@@H](CC)Nc1ncnc2cccc(C)c21 ZINC000440644490 388063804 /nfs/dbraw/zinc/06/38/04/388063804.db2.gz UTSBDBBDPWJCEF-GFCCVEGCSA-N 0 0 241.338 3.705 20 30 BHEDRN C=CC[C@H](CC)Nc1ncnc2cccc(C)c21 ZINC000440644500 388063620 /nfs/dbraw/zinc/06/36/20/388063620.db2.gz UTSBDBBDPWJCEF-LBPRGKRZSA-N 0 0 241.338 3.705 20 30 BHEDRN C=CC[C@@H](CC)Nc1ncnc2c(C)cccc12 ZINC000440646287 201498895 /nfs/dbraw/zinc/49/88/95/201498895.db2.gz SECPOPXIJRLDME-GFCCVEGCSA-N 0 0 241.338 3.705 20 30 BHEDRN C=CC[C@H](CC)Nc1ncnc2c(C)cccc12 ZINC000440646290 388063487 /nfs/dbraw/zinc/06/34/87/388063487.db2.gz SECPOPXIJRLDME-LBPRGKRZSA-N 0 0 241.338 3.705 20 30 BHEDRN C=CC[C@H](CC)Nc1ncnc2cccc(F)c21 ZINC000440647792 386031107 /nfs/dbraw/zinc/03/11/07/386031107.db2.gz VMLLKFGPHHDGOA-JTQLQIEISA-N 0 0 245.301 3.536 20 30 BHEDRN C=CC[C@@H](CC)Nc1ncnc2cccc(F)c21 ZINC000440647793 191691231 /nfs/dbraw/zinc/69/12/31/191691231.db2.gz VMLLKFGPHHDGOA-SNVBAGLBSA-N 0 0 245.301 3.536 20 30 BHEDRN C=CC[C@@H](CC)Nc1ncnc2ccc(C)cc21 ZINC000440650570 388063267 /nfs/dbraw/zinc/06/32/67/388063267.db2.gz UBGURPJTCKURBX-GFCCVEGCSA-N 0 0 241.338 3.705 20 30 BHEDRN C=CC[C@H](CC)Nc1ncnc2ccc(C)cc21 ZINC000440650571 201500611 /nfs/dbraw/zinc/50/06/11/201500611.db2.gz UBGURPJTCKURBX-LBPRGKRZSA-N 0 0 241.338 3.705 20 30 BHEDRN C=CCN(Cc1ccccc1F)C[C@H](F)CC ZINC000440701313 388071363 /nfs/dbraw/zinc/07/13/63/388071363.db2.gz KLGGDTJFMLFWIB-CYBMUJFWSA-N 0 0 239.309 3.562 20 30 BHEDRN C=CCN(Cc1ccccc1F)C[C@@H](F)CC ZINC000440701314 388070460 /nfs/dbraw/zinc/07/04/60/388070460.db2.gz KLGGDTJFMLFWIB-ZDUSSCGKSA-N 0 0 239.309 3.562 20 30 BHEDRN N#CCCCCN1CCCCCc2ccccc21 ZINC000440744554 387683677 /nfs/dbraw/zinc/68/36/77/387683677.db2.gz DHKBIFGREWKJKA-UHFFFAOYSA-N 0 0 242.366 3.913 20 30 BHEDRN C=CCCC(=O)NC[C@H](CCC)CCCC ZINC000440813547 386168917 /nfs/dbraw/zinc/16/89/17/386168917.db2.gz MYQZBWDBJLLTIB-CYBMUJFWSA-N 0 0 225.376 3.675 20 30 BHEDRN C=CCCC(=O)NC[C@@H](CCC)CCCC ZINC000440813550 386169551 /nfs/dbraw/zinc/16/95/51/386169551.db2.gz MYQZBWDBJLLTIB-ZDUSSCGKSA-N 0 0 225.376 3.675 20 30 BHEDRN C[C@@H]1CCCCN1CC#Cc1ccccc1Cl ZINC000441152217 387731294 /nfs/dbraw/zinc/73/12/94/387731294.db2.gz WLYVFBJHKILMCM-CYBMUJFWSA-N 0 0 247.769 3.566 20 30 BHEDRN C[C@H]1CCCCN1CC#Cc1ccccc1Cl ZINC000441152219 387732403 /nfs/dbraw/zinc/73/24/03/387732403.db2.gz WLYVFBJHKILMCM-ZDUSSCGKSA-N 0 0 247.769 3.566 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C1(CC(C)C)CC1 ZINC000441287132 201546816 /nfs/dbraw/zinc/54/68/16/201546816.db2.gz IWWRZBZXRINWOT-CYBMUJFWSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C1(CC(C)C)CC1 ZINC000441287133 387743466 /nfs/dbraw/zinc/74/34/66/387743466.db2.gz IWWRZBZXRINWOT-ZDUSSCGKSA-N 0 0 237.387 3.674 20 30 BHEDRN CCN(CCCCC#N)c1ccccc1Cl ZINC000441382284 201549283 /nfs/dbraw/zinc/54/92/83/201549283.db2.gz RGSDPJWDQBVJDK-UHFFFAOYSA-N 0 0 236.746 3.860 20 30 BHEDRN CCC(C)(C)CCN(CC#N)C1CCCC1 ZINC000441394445 387756270 /nfs/dbraw/zinc/75/62/70/387756270.db2.gz KQCRXRQETYBTJE-UHFFFAOYSA-N 0 0 222.376 3.581 20 30 BHEDRN C=CCCC(=O)Nc1cc(Cl)cc(F)c1F ZINC000441601668 201558155 /nfs/dbraw/zinc/55/81/55/201558155.db2.gz URROUZHGEMROBB-UHFFFAOYSA-N 0 0 245.656 3.523 20 30 BHEDRN C=CCc1ccccc1OC[C@H](F)CC ZINC000441823414 387780355 /nfs/dbraw/zinc/78/03/55/387780355.db2.gz MDIMXFRUHIRPCD-GFCCVEGCSA-N 0 0 208.276 3.542 20 30 BHEDRN C=CCc1ccccc1OC[C@@H](F)CC ZINC000441823415 387779212 /nfs/dbraw/zinc/77/92/12/387779212.db2.gz MDIMXFRUHIRPCD-LBPRGKRZSA-N 0 0 208.276 3.542 20 30 BHEDRN C=CCc1ccc(OC[C@H](F)CC)c(OC)c1 ZINC000441829965 387778830 /nfs/dbraw/zinc/77/88/30/387778830.db2.gz YVOLAPRNBBCVNC-GFCCVEGCSA-N 0 0 238.302 3.551 20 30 BHEDRN C=CCc1ccc(OC[C@@H](F)CC)c(OC)c1 ZINC000441829966 387779092 /nfs/dbraw/zinc/77/90/92/387779092.db2.gz YVOLAPRNBBCVNC-LBPRGKRZSA-N 0 0 238.302 3.551 20 30 BHEDRN C=CCCCOc1ccc(NC(=O)C(C)C)cc1 ZINC000441842618 387781218 /nfs/dbraw/zinc/78/12/18/387781218.db2.gz ZSMOCHOGFXPTAP-UHFFFAOYSA-N 0 0 247.338 3.626 20 30 BHEDRN C=CCCCCCOc1ccc2oc(=O)oc2c1 ZINC000442101847 201567270 /nfs/dbraw/zinc/56/72/70/201567270.db2.gz ZGXRDAPZYRXFHJ-UHFFFAOYSA-N 0 0 248.278 3.511 20 30 BHEDRN CC[C@@H](F)CSCc1ccc(C#N)cc1 ZINC000442540587 201572633 /nfs/dbraw/zinc/57/26/33/201572633.db2.gz JHQUPYUZSJIFNR-GFCCVEGCSA-N 0 0 223.316 3.540 20 30 BHEDRN CC[C@H](F)CSCc1ccc(C#N)cc1 ZINC000442540588 388354477 /nfs/dbraw/zinc/35/44/77/388354477.db2.gz JHQUPYUZSJIFNR-LBPRGKRZSA-N 0 0 223.316 3.540 20 30 BHEDRN CC[C@@H](F)CSCc1ccc(C#N)cc1F ZINC000442543767 388353257 /nfs/dbraw/zinc/35/32/57/388353257.db2.gz AKPYWQPSHIFWNU-LLVKDONJSA-N 0 0 241.306 3.679 20 30 BHEDRN CC[C@H](F)CSCc1ccc(C#N)cc1F ZINC000442543770 201572694 /nfs/dbraw/zinc/57/26/94/201572694.db2.gz AKPYWQPSHIFWNU-NSHDSACASA-N 0 0 241.306 3.679 20 30 BHEDRN CC[C@H](F)CSCCCC(C)(C)C#N ZINC000442545263 387802136 /nfs/dbraw/zinc/80/21/36/387802136.db2.gz ILNOJEYFYQQLLD-JTQLQIEISA-N 0 0 217.353 3.798 20 30 BHEDRN CC[C@@H](F)CSCCCC(C)(C)C#N ZINC000442545265 387802690 /nfs/dbraw/zinc/80/26/90/387802690.db2.gz ILNOJEYFYQQLLD-SNVBAGLBSA-N 0 0 217.353 3.798 20 30 BHEDRN CC[C@@H](F)CSCc1ccc(F)cc1C#N ZINC000442546505 388354092 /nfs/dbraw/zinc/35/40/92/388354092.db2.gz SKXQYDVQSOHREI-LLVKDONJSA-N 0 0 241.306 3.679 20 30 BHEDRN CC[C@H](F)CSCc1ccc(F)cc1C#N ZINC000442546507 388353771 /nfs/dbraw/zinc/35/37/71/388353771.db2.gz SKXQYDVQSOHREI-NSHDSACASA-N 0 0 241.306 3.679 20 30 BHEDRN CC[C@@H](F)CSCc1ccc(C#N)c(C)c1 ZINC000442547135 191894272 /nfs/dbraw/zinc/89/42/72/191894272.db2.gz UKWIODWWKHNSNH-CYBMUJFWSA-N 0 0 237.343 3.848 20 30 BHEDRN CC[C@H](F)CSCc1ccc(C#N)c(C)c1 ZINC000442547140 388354065 /nfs/dbraw/zinc/35/40/65/388354065.db2.gz UKWIODWWKHNSNH-ZDUSSCGKSA-N 0 0 237.343 3.848 20 30 BHEDRN CC[C@@H](F)CSCc1cc(C#N)ccc1F ZINC000442550129 388354460 /nfs/dbraw/zinc/35/44/60/388354460.db2.gz UTVPOIWVZHRDAU-LLVKDONJSA-N 0 0 241.306 3.679 20 30 BHEDRN CC[C@H](F)CSCc1cc(C#N)ccc1F ZINC000442550130 201572515 /nfs/dbraw/zinc/57/25/15/201572515.db2.gz UTVPOIWVZHRDAU-NSHDSACASA-N 0 0 241.306 3.679 20 30 BHEDRN CC[C@@H](F)CSCc1ccc(C#N)c(F)c1 ZINC000442553419 388353696 /nfs/dbraw/zinc/35/36/96/388353696.db2.gz HOPHONXQHWYPTM-LLVKDONJSA-N 0 0 241.306 3.679 20 30 BHEDRN CC[C@H](F)CSCc1ccc(C#N)c(F)c1 ZINC000442553420 388353714 /nfs/dbraw/zinc/35/37/14/388353714.db2.gz HOPHONXQHWYPTM-NSHDSACASA-N 0 0 241.306 3.679 20 30 BHEDRN CC[C@@H](F)CSCc1ccc(CC#N)cc1 ZINC000442553970 387804691 /nfs/dbraw/zinc/80/46/91/387804691.db2.gz IEMZRGGHLKRLMN-CYBMUJFWSA-N 0 0 237.343 3.734 20 30 BHEDRN CC[C@H](F)CSCc1ccc(CC#N)cc1 ZINC000442553984 201575205 /nfs/dbraw/zinc/57/52/05/201575205.db2.gz IEMZRGGHLKRLMN-ZDUSSCGKSA-N 0 0 237.343 3.734 20 30 BHEDRN CC[C@@H](F)CSCc1ccccc1C#N ZINC000442554998 388354200 /nfs/dbraw/zinc/35/42/00/388354200.db2.gz VNQLEUUXPISEPF-GFCCVEGCSA-N 0 0 223.316 3.540 20 30 BHEDRN CC[C@H](F)CSCc1ccccc1C#N ZINC000442555000 388353718 /nfs/dbraw/zinc/35/37/18/388353718.db2.gz VNQLEUUXPISEPF-LBPRGKRZSA-N 0 0 223.316 3.540 20 30 BHEDRN CC[C@@H](F)CSCc1cccc(C#N)c1 ZINC000442555823 388353959 /nfs/dbraw/zinc/35/39/59/388353959.db2.gz KUXCPNFNPLVJQL-GFCCVEGCSA-N 0 0 223.316 3.540 20 30 BHEDRN CC[C@H](F)CSCc1cccc(C#N)c1 ZINC000442555825 388354047 /nfs/dbraw/zinc/35/40/47/388354047.db2.gz KUXCPNFNPLVJQL-LBPRGKRZSA-N 0 0 223.316 3.540 20 30 BHEDRN CC[C@@H](F)CSCc1cc(F)ccc1C#N ZINC000442557148 388354340 /nfs/dbraw/zinc/35/43/40/388354340.db2.gz ZLTHSBSZNRERKQ-LLVKDONJSA-N 0 0 241.306 3.679 20 30 BHEDRN CC[C@H](F)CSCc1cc(F)ccc1C#N ZINC000442557149 201573909 /nfs/dbraw/zinc/57/39/09/201573909.db2.gz ZLTHSBSZNRERKQ-NSHDSACASA-N 0 0 241.306 3.679 20 30 BHEDRN CC[C@@H](F)CSCc1cccc(C#N)c1F ZINC000442560472 388354678 /nfs/dbraw/zinc/35/46/78/388354678.db2.gz XMYPTCJAGUJOKG-LLVKDONJSA-N 0 0 241.306 3.679 20 30 BHEDRN CC[C@H](F)CSCc1cccc(C#N)c1F ZINC000442560473 201572841 /nfs/dbraw/zinc/57/28/41/201572841.db2.gz XMYPTCJAGUJOKG-NSHDSACASA-N 0 0 241.306 3.679 20 30 BHEDRN C[C@H](c1cccc(C#N)c1)N1CCc2ccccc21 ZINC000442679733 191906796 /nfs/dbraw/zinc/90/67/96/191906796.db2.gz PSCQOLRBNBAELV-CYBMUJFWSA-N 0 0 248.329 3.682 20 30 BHEDRN C[C@@H](c1cccc(C#N)c1)N1CCc2ccccc21 ZINC000442679735 191907265 /nfs/dbraw/zinc/90/72/65/191907265.db2.gz PSCQOLRBNBAELV-ZDUSSCGKSA-N 0 0 248.329 3.682 20 30 BHEDRN CCc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1CC ZINC000442823464 387848316 /nfs/dbraw/zinc/84/83/16/387848316.db2.gz FLBDSTLNIKOKGC-DOMZBBRYSA-N 0 0 242.366 3.916 20 30 BHEDRN CCc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1CC ZINC000442823467 192994233 /nfs/dbraw/zinc/99/42/33/192994233.db2.gz FLBDSTLNIKOKGC-IUODEOHRSA-N 0 0 242.366 3.916 20 30 BHEDRN CCc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1CC ZINC000442823469 387848489 /nfs/dbraw/zinc/84/84/89/387848489.db2.gz FLBDSTLNIKOKGC-SWLSCSKDSA-N 0 0 242.366 3.916 20 30 BHEDRN CCc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1CC ZINC000442823471 192994094 /nfs/dbraw/zinc/99/40/94/192994094.db2.gz FLBDSTLNIKOKGC-WFASDCNBSA-N 0 0 242.366 3.916 20 30 BHEDRN CCc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1C ZINC000442829053 387848051 /nfs/dbraw/zinc/84/80/51/387848051.db2.gz OHTGAETYAJFTEG-DOMZBBRYSA-N 0 0 228.339 3.662 20 30 BHEDRN CCc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1C ZINC000442829055 387847827 /nfs/dbraw/zinc/84/78/27/387847827.db2.gz OHTGAETYAJFTEG-IUODEOHRSA-N 0 0 228.339 3.662 20 30 BHEDRN CCc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1C ZINC000442829057 387848394 /nfs/dbraw/zinc/84/83/94/387848394.db2.gz OHTGAETYAJFTEG-SWLSCSKDSA-N 0 0 228.339 3.662 20 30 BHEDRN CCc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1C ZINC000442829058 387848252 /nfs/dbraw/zinc/84/82/52/387848252.db2.gz OHTGAETYAJFTEG-WFASDCNBSA-N 0 0 228.339 3.662 20 30 BHEDRN CC#CCCOc1ccc(F)c(C(F)(F)F)c1 ZINC000442836748 387847620 /nfs/dbraw/zinc/84/76/20/387847620.db2.gz OWLHZAJCWONYJK-UHFFFAOYSA-N 0 0 246.203 3.637 20 30 BHEDRN N#C[C@H]1CC[C@@H](Nc2cccc3ccccc32)C1 ZINC000442839033 387847768 /nfs/dbraw/zinc/84/77/68/387847768.db2.gz MEQRFHUPNDOIFI-GXTWGEPZSA-N 0 0 236.318 3.944 20 30 BHEDRN N#C[C@H]1CC[C@H](Nc2cccc3ccccc32)C1 ZINC000442839037 387848294 /nfs/dbraw/zinc/84/82/94/387848294.db2.gz MEQRFHUPNDOIFI-JSGCOSHPSA-N 0 0 236.318 3.944 20 30 BHEDRN N#C[C@@H]1CC[C@H](Nc2cccc3ccccc32)C1 ZINC000442839041 192996091 /nfs/dbraw/zinc/99/60/91/192996091.db2.gz MEQRFHUPNDOIFI-OCCSQVGLSA-N 0 0 236.318 3.944 20 30 BHEDRN N#C[C@@H]1CC[C@@H](Nc2cccc3ccccc32)C1 ZINC000442839044 387848136 /nfs/dbraw/zinc/84/81/36/387848136.db2.gz MEQRFHUPNDOIFI-TZMCWYRMSA-N 0 0 236.318 3.944 20 30 BHEDRN CCc1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1C ZINC000442843564 387850094 /nfs/dbraw/zinc/85/00/94/387850094.db2.gz KEEBMSBBKLYHNA-GXTWGEPZSA-N 0 0 228.339 3.662 20 30 BHEDRN CCc1cc(N[C@H]2CC[C@H](C#N)C2)ccc1C ZINC000442843565 192995312 /nfs/dbraw/zinc/99/53/12/192995312.db2.gz KEEBMSBBKLYHNA-JSGCOSHPSA-N 0 0 228.339 3.662 20 30 BHEDRN CCc1cc(N[C@H]2CC[C@@H](C#N)C2)ccc1C ZINC000442843566 387850002 /nfs/dbraw/zinc/85/00/02/387850002.db2.gz KEEBMSBBKLYHNA-OCCSQVGLSA-N 0 0 228.339 3.662 20 30 BHEDRN CCc1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1C ZINC000442843568 192995201 /nfs/dbraw/zinc/99/52/01/192995201.db2.gz KEEBMSBBKLYHNA-TZMCWYRMSA-N 0 0 228.339 3.662 20 30 BHEDRN Cc1cc(N[C@H]2CC[C@@H](C#N)C2)ccc1C1CC1 ZINC000442843791 192995061 /nfs/dbraw/zinc/99/50/61/192995061.db2.gz ULCYHXPJMSEUAY-DOMZBBRYSA-N 0 0 240.350 3.977 20 30 BHEDRN Cc1cc(N[C@@H]2CC[C@@H](C#N)C2)ccc1C1CC1 ZINC000442843793 387850090 /nfs/dbraw/zinc/85/00/90/387850090.db2.gz ULCYHXPJMSEUAY-IUODEOHRSA-N 0 0 240.350 3.977 20 30 BHEDRN Cc1cc(N[C@@H]2CC[C@H](C#N)C2)ccc1C1CC1 ZINC000442843795 387850258 /nfs/dbraw/zinc/85/02/58/387850258.db2.gz ULCYHXPJMSEUAY-SWLSCSKDSA-N 0 0 240.350 3.977 20 30 BHEDRN Cc1cc(N[C@H]2CC[C@H](C#N)C2)ccc1C1CC1 ZINC000442843796 387849933 /nfs/dbraw/zinc/84/99/33/387849933.db2.gz ULCYHXPJMSEUAY-WFASDCNBSA-N 0 0 240.350 3.977 20 30 BHEDRN CCCOc1ccccc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000442849273 387849968 /nfs/dbraw/zinc/84/99/68/387849968.db2.gz BRARBLJVOVTWDS-CHWSQXEVSA-N 0 0 244.338 3.580 20 30 BHEDRN CCCOc1ccccc1N[C@H]1CC[C@@H](C#N)C1 ZINC000442849274 387849409 /nfs/dbraw/zinc/84/94/09/387849409.db2.gz BRARBLJVOVTWDS-OLZOCXBDSA-N 0 0 244.338 3.580 20 30 BHEDRN CCCOc1ccccc1N[C@@H]1CC[C@H](C#N)C1 ZINC000442849275 387849641 /nfs/dbraw/zinc/84/96/41/387849641.db2.gz BRARBLJVOVTWDS-QWHCGFSZSA-N 0 0 244.338 3.580 20 30 BHEDRN CCCOc1ccccc1N[C@H]1CC[C@H](C#N)C1 ZINC000442849276 192997061 /nfs/dbraw/zinc/99/70/61/192997061.db2.gz BRARBLJVOVTWDS-STQMWFEESA-N 0 0 244.338 3.580 20 30 BHEDRN CC(C)c1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442851562 387851223 /nfs/dbraw/zinc/85/12/23/387851223.db2.gz FHEFJSUBYVTQLK-DOMZBBRYSA-N 0 0 228.339 3.914 20 30 BHEDRN CC(C)c1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442851563 387851242 /nfs/dbraw/zinc/85/12/42/387851242.db2.gz FHEFJSUBYVTQLK-IUODEOHRSA-N 0 0 228.339 3.914 20 30 BHEDRN CC(C)c1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442851565 387852037 /nfs/dbraw/zinc/85/20/37/387852037.db2.gz FHEFJSUBYVTQLK-SWLSCSKDSA-N 0 0 228.339 3.914 20 30 BHEDRN CC(C)c1cccc(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000442851567 387850706 /nfs/dbraw/zinc/85/07/06/387850706.db2.gz FHEFJSUBYVTQLK-WFASDCNBSA-N 0 0 228.339 3.914 20 30 BHEDRN CCc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1CC ZINC000442852327 387851172 /nfs/dbraw/zinc/85/11/72/387851172.db2.gz HNCUMBSRDIGJDS-GXTWGEPZSA-N 0 0 242.366 3.916 20 30 BHEDRN CCc1cccc(N[C@H]2CC[C@H](C#N)C2)c1CC ZINC000442852328 387850801 /nfs/dbraw/zinc/85/08/01/387850801.db2.gz HNCUMBSRDIGJDS-JSGCOSHPSA-N 0 0 242.366 3.916 20 30 BHEDRN CCc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1CC ZINC000442852329 387851613 /nfs/dbraw/zinc/85/16/13/387851613.db2.gz HNCUMBSRDIGJDS-OCCSQVGLSA-N 0 0 242.366 3.916 20 30 BHEDRN CCc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1CC ZINC000442852331 387851591 /nfs/dbraw/zinc/85/15/91/387851591.db2.gz HNCUMBSRDIGJDS-TZMCWYRMSA-N 0 0 242.366 3.916 20 30 BHEDRN N#C[C@H]1CC[C@@H](Nc2cccc3c2CCCC3)C1 ZINC000442855958 192997328 /nfs/dbraw/zinc/99/73/28/192997328.db2.gz QQBWMAREOHXAAH-GXTWGEPZSA-N 0 0 240.350 3.670 20 30 BHEDRN N#C[C@H]1CC[C@H](Nc2cccc3c2CCCC3)C1 ZINC000442855960 387851510 /nfs/dbraw/zinc/85/15/10/387851510.db2.gz QQBWMAREOHXAAH-JSGCOSHPSA-N 0 0 240.350 3.670 20 30 BHEDRN N#C[C@@H]1CC[C@H](Nc2cccc3c2CCCC3)C1 ZINC000442855963 387850935 /nfs/dbraw/zinc/85/09/35/387850935.db2.gz QQBWMAREOHXAAH-OCCSQVGLSA-N 0 0 240.350 3.670 20 30 BHEDRN N#C[C@@H]1CC[C@@H](Nc2cccc3c2CCCC3)C1 ZINC000442855965 192997363 /nfs/dbraw/zinc/99/73/63/192997363.db2.gz QQBWMAREOHXAAH-TZMCWYRMSA-N 0 0 240.350 3.670 20 30 BHEDRN CCc1ccc(CC)c(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442859004 387851210 /nfs/dbraw/zinc/85/12/10/387851210.db2.gz UNOQDGGZERQQBD-DZGCQCFKSA-N 0 0 242.366 3.916 20 30 BHEDRN CCc1ccc(CC)c(N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442859006 387851792 /nfs/dbraw/zinc/85/17/92/387851792.db2.gz UNOQDGGZERQQBD-HIFRSBDPSA-N 0 0 242.366 3.916 20 30 BHEDRN CCc1ccc(CC)c(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442859009 387850855 /nfs/dbraw/zinc/85/08/55/387850855.db2.gz UNOQDGGZERQQBD-UKRRQHHQSA-N 0 0 242.366 3.916 20 30 BHEDRN CCc1ccc(CC)c(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000442859011 387851002 /nfs/dbraw/zinc/85/10/02/387851002.db2.gz UNOQDGGZERQQBD-ZFWWWQNUSA-N 0 0 242.366 3.916 20 30 BHEDRN N#Cc1ccc(CNc2ccc3ccoc3c2)cc1 ZINC000442859778 192998003 /nfs/dbraw/zinc/99/80/03/192998003.db2.gz RETKKQPZMONDRG-UHFFFAOYSA-N 0 0 248.285 3.917 20 30 BHEDRN CCSc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000442862073 387852778 /nfs/dbraw/zinc/85/27/78/387852778.db2.gz ZJJLVIPHBLJVDN-AAEUAGOBSA-N 0 0 246.379 3.903 20 30 BHEDRN CCSc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442862084 387853858 /nfs/dbraw/zinc/85/38/58/387853858.db2.gz ZJJLVIPHBLJVDN-DGCLKSJQSA-N 0 0 246.379 3.903 20 30 BHEDRN CCSc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442862087 387852703 /nfs/dbraw/zinc/85/27/03/387852703.db2.gz ZJJLVIPHBLJVDN-WCQYABFASA-N 0 0 246.379 3.903 20 30 BHEDRN CCSc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442862090 192997469 /nfs/dbraw/zinc/99/74/69/192997469.db2.gz ZJJLVIPHBLJVDN-YPMHNXCESA-N 0 0 246.379 3.903 20 30 BHEDRN CCCOc1cccc(N[C@@H]2CC[C@H](C#N)C2)c1 ZINC000442863082 386800445 /nfs/dbraw/zinc/80/04/45/386800445.db2.gz CBMCJSPYKRIJKZ-GXTWGEPZSA-N 0 0 244.338 3.580 20 30 BHEDRN CCCOc1cccc(N[C@H]2CC[C@H](C#N)C2)c1 ZINC000442863083 386799845 /nfs/dbraw/zinc/79/98/45/386799845.db2.gz CBMCJSPYKRIJKZ-JSGCOSHPSA-N 0 0 244.338 3.580 20 30 BHEDRN CCCOc1cccc(N[C@H]2CC[C@@H](C#N)C2)c1 ZINC000442863084 386800146 /nfs/dbraw/zinc/80/01/46/386800146.db2.gz CBMCJSPYKRIJKZ-OCCSQVGLSA-N 0 0 244.338 3.580 20 30 BHEDRN CCCOc1cccc(N[C@@H]2CC[C@@H](C#N)C2)c1 ZINC000442863085 386798802 /nfs/dbraw/zinc/79/88/02/386798802.db2.gz CBMCJSPYKRIJKZ-TZMCWYRMSA-N 0 0 244.338 3.580 20 30 BHEDRN N#C[C@H]1CC[C@@H](Nc2ccc(F)c(C3CC3)c2)C1 ZINC000442863944 387852752 /nfs/dbraw/zinc/85/27/52/387852752.db2.gz FEFBUFVAMAIFNX-CMPLNLGQSA-N 0 0 244.313 3.807 20 30 BHEDRN N#C[C@H]1CC[C@H](Nc2ccc(F)c(C3CC3)c2)C1 ZINC000442863945 192997660 /nfs/dbraw/zinc/99/76/60/192997660.db2.gz FEFBUFVAMAIFNX-JQWIXIFHSA-N 0 0 244.313 3.807 20 30 BHEDRN N#C[C@@H]1CC[C@H](Nc2ccc(F)c(C3CC3)c2)C1 ZINC000442863947 387853034 /nfs/dbraw/zinc/85/30/34/387853034.db2.gz FEFBUFVAMAIFNX-PWSUYJOCSA-N 0 0 244.313 3.807 20 30 BHEDRN N#C[C@@H]1CC[C@@H](Nc2ccc(F)c(C3CC3)c2)C1 ZINC000442863949 191934132 /nfs/dbraw/zinc/93/41/32/191934132.db2.gz FEFBUFVAMAIFNX-ZYHUDNBSSA-N 0 0 244.313 3.807 20 30 BHEDRN CSCc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442865294 387853423 /nfs/dbraw/zinc/85/34/23/387853423.db2.gz HSWPLBJNXONARI-GXTWGEPZSA-N 0 0 246.379 3.654 20 30 BHEDRN CSCc1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442865295 387853217 /nfs/dbraw/zinc/85/32/17/387853217.db2.gz HSWPLBJNXONARI-JSGCOSHPSA-N 0 0 246.379 3.654 20 30 BHEDRN CSCc1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442865296 192997831 /nfs/dbraw/zinc/99/78/31/192997831.db2.gz HSWPLBJNXONARI-OCCSQVGLSA-N 0 0 246.379 3.654 20 30 BHEDRN CSCc1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442865297 386806297 /nfs/dbraw/zinc/80/62/97/386806297.db2.gz HSWPLBJNXONARI-TZMCWYRMSA-N 0 0 246.379 3.654 20 30 BHEDRN CC(C)Oc1ccccc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000442866530 387853156 /nfs/dbraw/zinc/85/31/56/387853156.db2.gz LYKOUNVIWVJHDH-CHWSQXEVSA-N 0 0 244.338 3.578 20 30 BHEDRN CC(C)Oc1ccccc1N[C@H]1CC[C@@H](C#N)C1 ZINC000442866531 387853847 /nfs/dbraw/zinc/85/38/47/387853847.db2.gz LYKOUNVIWVJHDH-OLZOCXBDSA-N 0 0 244.338 3.578 20 30 BHEDRN CC(C)Oc1ccccc1N[C@@H]1CC[C@H](C#N)C1 ZINC000442866532 192997642 /nfs/dbraw/zinc/99/76/42/192997642.db2.gz LYKOUNVIWVJHDH-QWHCGFSZSA-N 0 0 244.338 3.578 20 30 BHEDRN CC(C)Oc1ccccc1N[C@H]1CC[C@H](C#N)C1 ZINC000442866533 387854043 /nfs/dbraw/zinc/85/40/43/387854043.db2.gz LYKOUNVIWVJHDH-STQMWFEESA-N 0 0 244.338 3.578 20 30 BHEDRN CCCc1ccccc1N[C@@H]1CC[C@H](C#N)C1 ZINC000442867080 387852903 /nfs/dbraw/zinc/85/29/03/387852903.db2.gz NRPJYDCTCBBVAL-GXTWGEPZSA-N 0 0 228.339 3.743 20 30 BHEDRN CCCc1ccccc1N[C@H]1CC[C@H](C#N)C1 ZINC000442867081 387853832 /nfs/dbraw/zinc/85/38/32/387853832.db2.gz NRPJYDCTCBBVAL-JSGCOSHPSA-N 0 0 228.339 3.743 20 30 BHEDRN CCCc1ccccc1N[C@H]1CC[C@@H](C#N)C1 ZINC000442867082 387853630 /nfs/dbraw/zinc/85/36/30/387853630.db2.gz NRPJYDCTCBBVAL-OCCSQVGLSA-N 0 0 228.339 3.743 20 30 BHEDRN CCCc1ccccc1N[C@@H]1CC[C@@H](C#N)C1 ZINC000442867083 192997655 /nfs/dbraw/zinc/99/76/55/192997655.db2.gz NRPJYDCTCBBVAL-TZMCWYRMSA-N 0 0 228.339 3.743 20 30 BHEDRN N#Cc1cccc(CNc2ccc3ccoc3c2)c1 ZINC000442876562 388368229 /nfs/dbraw/zinc/36/82/29/388368229.db2.gz PRXZPZDTLVVYQZ-UHFFFAOYSA-N 0 0 248.285 3.917 20 30 BHEDRN CC(C)c1ccc(N[C@H]2CC[C@@H](C#N)C2)cc1 ZINC000442891327 193001018 /nfs/dbraw/zinc/00/10/18/193001018.db2.gz RAIUTCSYLOJTLT-DOMZBBRYSA-N 0 0 228.339 3.914 20 30 BHEDRN CC(C)c1ccc(N[C@@H]2CC[C@@H](C#N)C2)cc1 ZINC000442891329 193000494 /nfs/dbraw/zinc/00/04/94/193000494.db2.gz RAIUTCSYLOJTLT-IUODEOHRSA-N 0 0 228.339 3.914 20 30 BHEDRN CC(C)c1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000442891330 193001267 /nfs/dbraw/zinc/00/12/67/193001267.db2.gz RAIUTCSYLOJTLT-SWLSCSKDSA-N 0 0 228.339 3.914 20 30 BHEDRN CC(C)c1ccc(N[C@H]2CC[C@H](C#N)C2)cc1 ZINC000442891332 193001050 /nfs/dbraw/zinc/00/10/50/193001050.db2.gz RAIUTCSYLOJTLT-WFASDCNBSA-N 0 0 228.339 3.914 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000442943446 193006356 /nfs/dbraw/zinc/00/63/56/193006356.db2.gz MFXGAMMADBSUBN-INIZCTEOSA-N 0 0 249.398 3.794 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N1CC=C(C(C)(C)C)CC1 ZINC000442943449 193006789 /nfs/dbraw/zinc/00/67/89/193006789.db2.gz MFXGAMMADBSUBN-MRXNPFEDSA-N 0 0 249.398 3.794 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N1CCC(C)(CC)CC1 ZINC000442953391 193006812 /nfs/dbraw/zinc/00/68/12/193006812.db2.gz AIEJDIAYAUHQEH-HNNXBMFYSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N1CCC(C)(CC)CC1 ZINC000442953392 193006065 /nfs/dbraw/zinc/00/60/65/193006065.db2.gz AIEJDIAYAUHQEH-OAHLLOKOSA-N 0 0 237.387 3.627 20 30 BHEDRN N#Cc1ccc(CNc2ccc3ccoc3c2)o1 ZINC000443002052 193009778 /nfs/dbraw/zinc/00/97/78/193009778.db2.gz RLOQZKNSZNZKJV-UHFFFAOYSA-N 0 0 238.246 3.510 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccc2ccn(C)c2c1 ZINC000443092584 193013621 /nfs/dbraw/zinc/01/36/21/193013621.db2.gz JXMYVXNJCDXWJY-GFCCVEGCSA-N 0 0 228.339 3.945 20 30 BHEDRN C=CCC[C@H](C)Nc1ccc2ccn(C)c2c1 ZINC000443092586 193013772 /nfs/dbraw/zinc/01/37/72/193013772.db2.gz JXMYVXNJCDXWJY-LBPRGKRZSA-N 0 0 228.339 3.945 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1cc(C)c(O)c(C)c1 ZINC000443115331 193013702 /nfs/dbraw/zinc/01/37/02/193013702.db2.gz YZRWHXOIJKPDBJ-HNNXBMFYSA-N 0 0 247.338 3.550 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1cc(C)c(O)c(C)c1 ZINC000443115332 193013478 /nfs/dbraw/zinc/01/34/78/193013478.db2.gz YZRWHXOIJKPDBJ-OAHLLOKOSA-N 0 0 247.338 3.550 20 30 BHEDRN CCOCCCS[C@H](C)c1cccc(C#N)c1 ZINC000443137973 193013558 /nfs/dbraw/zinc/01/35/58/193013558.db2.gz DNBFNPOIZAWFFQ-GFCCVEGCSA-N 0 0 249.379 3.779 20 30 BHEDRN CCOCCCS[C@@H](C)c1cccc(C#N)c1 ZINC000443137974 193013605 /nfs/dbraw/zinc/01/36/05/193013605.db2.gz DNBFNPOIZAWFFQ-LBPRGKRZSA-N 0 0 249.379 3.779 20 30 BHEDRN C/C=C\CS[C@@H](C)c1cccc(C#N)c1 ZINC000443143870 193013502 /nfs/dbraw/zinc/01/35/02/193013502.db2.gz DTTIRTXJBVPNIF-BYCRGOAPSA-N 0 0 217.337 3.929 20 30 BHEDRN C/C=C\CS[C@H](C)c1cccc(C#N)c1 ZINC000443143875 193014091 /nfs/dbraw/zinc/01/40/91/193014091.db2.gz DTTIRTXJBVPNIF-DLRQAJBASA-N 0 0 217.337 3.929 20 30 BHEDRN C[C@@H](SCC1(C#N)CC1)c1cccc(C#N)c1 ZINC000443158317 193014454 /nfs/dbraw/zinc/01/44/54/193014454.db2.gz YMPLXYRQVODTKG-LLVKDONJSA-N 0 0 242.347 3.656 20 30 BHEDRN C[C@H](SCC1(C#N)CC1)c1cccc(C#N)c1 ZINC000443158318 193015114 /nfs/dbraw/zinc/01/51/14/193015114.db2.gz YMPLXYRQVODTKG-NSHDSACASA-N 0 0 242.347 3.656 20 30 BHEDRN C=CC[C@H](C)NC(=O)Nc1ccc2ccoc2c1 ZINC000443367089 193019476 /nfs/dbraw/zinc/01/94/76/193019476.db2.gz BDBXLLBGHWHWLO-JTQLQIEISA-N 0 0 244.294 3.519 20 30 BHEDRN C=CC[C@@H](C)NC(=O)Nc1ccc2ccoc2c1 ZINC000443367090 193019009 /nfs/dbraw/zinc/01/90/09/193019009.db2.gz BDBXLLBGHWHWLO-SNVBAGLBSA-N 0 0 244.294 3.519 20 30 BHEDRN CC1=CCC[C@@H](C)[C@@H]1CN(CC#N)C1CCCC1 ZINC000443662747 193028224 /nfs/dbraw/zinc/02/82/24/193028224.db2.gz VTEPVOWBTHJRSK-GDBMZVCRSA-N 0 0 246.398 3.747 20 30 BHEDRN CC1=CCC[C@H](C)[C@@H]1CN(CC#N)C1CCCC1 ZINC000443662758 193028359 /nfs/dbraw/zinc/02/83/59/193028359.db2.gz VTEPVOWBTHJRSK-GOEBONIOSA-N 0 0 246.398 3.747 20 30 BHEDRN CC1=CCC[C@H](C)[C@H]1CN(CC#N)C1CCCC1 ZINC000443662760 193027242 /nfs/dbraw/zinc/02/72/42/193027242.db2.gz VTEPVOWBTHJRSK-HOCLYGCPSA-N 0 0 246.398 3.747 20 30 BHEDRN CC1=CCC[C@@H](C)[C@H]1CN(CC#N)C1CCCC1 ZINC000443662763 193027903 /nfs/dbraw/zinc/02/79/03/193027903.db2.gz VTEPVOWBTHJRSK-ZBFHGGJFSA-N 0 0 246.398 3.747 20 30 BHEDRN C=CC[C@@H]1N(C(=O)C2=CCCC2)CCCC1(C)C ZINC000443872370 193031088 /nfs/dbraw/zinc/03/10/88/193031088.db2.gz ZQNFUBNDWUQYCG-AWEZNQCLSA-N 0 0 247.382 3.690 20 30 BHEDRN C=CC[C@H]1N(C(=O)C2=CCCC2)CCCC1(C)C ZINC000443872371 193030472 /nfs/dbraw/zinc/03/04/72/193030472.db2.gz ZQNFUBNDWUQYCG-CQSZACIVSA-N 0 0 247.382 3.690 20 30 BHEDRN Cc1cc(CNc2ccccc2C)ccc1C#N ZINC000443959950 193032348 /nfs/dbraw/zinc/03/23/48/193032348.db2.gz NEAWELMLUOUKFU-UHFFFAOYSA-N 0 0 236.318 3.787 20 30 BHEDRN Cc1ccc(NCc2ccc(C#N)c(C)c2)cc1 ZINC000443961118 193032375 /nfs/dbraw/zinc/03/23/75/193032375.db2.gz JYAVNHXMVIHTDJ-UHFFFAOYSA-N 0 0 236.318 3.787 20 30 BHEDRN Cc1cc(CNc2cccc(F)c2)ccc1C#N ZINC000443966507 193032295 /nfs/dbraw/zinc/03/22/95/193032295.db2.gz BYSINLUAAPMTDI-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN Cc1cc(CNc2ccc(F)cc2)ccc1C#N ZINC000443967809 193032633 /nfs/dbraw/zinc/03/26/33/193032633.db2.gz DHXJPACVWSLVNY-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN Cc1cccc(NCc2ccc(C#N)c(C)c2)c1 ZINC000443973263 398084770 /nfs/dbraw/zinc/08/47/70/398084770.db2.gz OPKQFFQHMIZVKT-UHFFFAOYSA-N 0 0 236.318 3.787 20 30 BHEDRN Cc1cc(CNc2ccccc2F)ccc1C#N ZINC000443981264 201603948 /nfs/dbraw/zinc/60/39/48/201603948.db2.gz AHHXKCIPWZWJKU-UHFFFAOYSA-N 0 0 240.281 3.618 20 30 BHEDRN CC(C)[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000443982040 398086025 /nfs/dbraw/zinc/08/60/25/398086025.db2.gz CTHLEARZDBACPH-CYBMUJFWSA-N 0 0 246.329 3.570 20 30 BHEDRN CC(C)[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000443982045 398086055 /nfs/dbraw/zinc/08/60/55/398086055.db2.gz CTHLEARZDBACPH-ZDUSSCGKSA-N 0 0 246.329 3.570 20 30 BHEDRN CC(C)[C@@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000443985335 388421788 /nfs/dbraw/zinc/42/17/88/388421788.db2.gz GJYUBWMZWCYNFG-GFCCVEGCSA-N 0 0 246.329 3.570 20 30 BHEDRN CC(C)[C@H]1CCCN(c2cccc(F)c2C#N)C1 ZINC000443985337 388421522 /nfs/dbraw/zinc/42/15/22/388421522.db2.gz GJYUBWMZWCYNFG-LBPRGKRZSA-N 0 0 246.329 3.570 20 30 BHEDRN CC(C)[C@@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000443993589 388420887 /nfs/dbraw/zinc/42/08/87/388420887.db2.gz LXMSRXAGNKTSIY-GFCCVEGCSA-N 0 0 246.329 3.570 20 30 BHEDRN CC(C)[C@H]1CCCN(c2ccc(F)cc2C#N)C1 ZINC000443993590 388422432 /nfs/dbraw/zinc/42/24/32/388422432.db2.gz LXMSRXAGNKTSIY-LBPRGKRZSA-N 0 0 246.329 3.570 20 30 BHEDRN Cc1c(Cl)cnc(N[C@@H]2CC[C@@H](C)C2)c1C#N ZINC000444003657 193033210 /nfs/dbraw/zinc/03/32/10/193033210.db2.gz OEAIZLXYGDIMQZ-PSASIEDQSA-N 0 0 249.745 3.516 20 30 BHEDRN Cc1c(Cl)cnc(N[C@H]2CC[C@@H](C)C2)c1C#N ZINC000444003658 193033160 /nfs/dbraw/zinc/03/31/60/193033160.db2.gz OEAIZLXYGDIMQZ-SCZZXKLOSA-N 0 0 249.745 3.516 20 30 BHEDRN Cc1c(Cl)cnc(N[C@@H]2CC[C@H](C)C2)c1C#N ZINC000444003659 193033195 /nfs/dbraw/zinc/03/31/95/193033195.db2.gz OEAIZLXYGDIMQZ-WCBMZHEXSA-N 0 0 249.745 3.516 20 30 BHEDRN Cc1c(Cl)cnc(N[C@H]2CC[C@H](C)C2)c1C#N ZINC000444003660 193033241 /nfs/dbraw/zinc/03/32/41/193033241.db2.gz OEAIZLXYGDIMQZ-WPRPVWTQSA-N 0 0 249.745 3.516 20 30 BHEDRN C=CCCCC(=O)Nc1cc2[nH]ccc2cc1C ZINC000444451341 193047424 /nfs/dbraw/zinc/04/74/24/193047424.db2.gz UZRDRGAZRIHZQN-UHFFFAOYSA-N 0 0 242.322 3.771 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cc(C)c(O)cc1C ZINC000444664541 385155743 /nfs/dbraw/zinc/15/57/43/385155743.db2.gz RDDJDALIVQWXOD-GFCCVEGCSA-N 0 0 247.338 3.550 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cc(C)c(O)cc1C ZINC000444664543 200712353 /nfs/dbraw/zinc/71/23/53/200712353.db2.gz RDDJDALIVQWXOD-LBPRGKRZSA-N 0 0 247.338 3.550 20 30 BHEDRN Cc1ccccc1CN1CCCC(C)(C)[C@@H]1C#N ZINC000444717066 711786017 /nfs/dbraw/zinc/78/60/17/711786017.db2.gz HUDZOYRMQVVBPI-HNNXBMFYSA-N 0 0 242.366 3.509 20 30 BHEDRN Cc1ccccc1CN1CCCC(C)(C)[C@H]1C#N ZINC000444717067 711785997 /nfs/dbraw/zinc/78/59/97/711785997.db2.gz HUDZOYRMQVVBPI-OAHLLOKOSA-N 0 0 242.366 3.509 20 30 BHEDRN Cc1cccc(CN2CCCC(C)(C)[C@@H]2C#N)c1 ZINC000444724984 387918012 /nfs/dbraw/zinc/91/80/12/387918012.db2.gz LZHUWIMUVGCEFM-HNNXBMFYSA-N 0 0 242.366 3.509 20 30 BHEDRN Cc1cccc(CN2CCCC(C)(C)[C@H]2C#N)c1 ZINC000444724985 387917629 /nfs/dbraw/zinc/91/76/29/387917629.db2.gz LZHUWIMUVGCEFM-OAHLLOKOSA-N 0 0 242.366 3.509 20 30 BHEDRN CC1(C)CCCN(CCC2CCCC2)[C@H]1C#N ZINC000444725579 387916278 /nfs/dbraw/zinc/91/62/78/387916278.db2.gz BDAQFPLYYOYXAR-AWEZNQCLSA-N 0 0 234.387 3.581 20 30 BHEDRN CC1(C)CCCN(CCC2CCCC2)[C@@H]1C#N ZINC000444725580 387916591 /nfs/dbraw/zinc/91/65/91/387916591.db2.gz BDAQFPLYYOYXAR-CQSZACIVSA-N 0 0 234.387 3.581 20 30 BHEDRN CC1(C)CCCN(CC2CCCCC2)[C@H]1C#N ZINC000444733358 387916171 /nfs/dbraw/zinc/91/61/71/387916171.db2.gz XDNBSKFNHNRLHU-AWEZNQCLSA-N 0 0 234.387 3.581 20 30 BHEDRN CC1(C)CCCN(CC2CCCCC2)[C@@H]1C#N ZINC000444733359 387916739 /nfs/dbraw/zinc/91/67/39/387916739.db2.gz XDNBSKFNHNRLHU-CQSZACIVSA-N 0 0 234.387 3.581 20 30 BHEDRN Cc1ccc(CN2CCCC(C)(C)[C@@H]2C#N)cc1 ZINC000444734687 387918031 /nfs/dbraw/zinc/91/80/31/387918031.db2.gz NYJOHOQVHYJDCY-HNNXBMFYSA-N 0 0 242.366 3.509 20 30 BHEDRN Cc1ccc(CN2CCCC(C)(C)[C@H]2C#N)cc1 ZINC000444734688 387917142 /nfs/dbraw/zinc/91/71/42/387917142.db2.gz NYJOHOQVHYJDCY-OAHLLOKOSA-N 0 0 242.366 3.509 20 30 BHEDRN C=C(CC)C[N@H+](C)Cc1cc(C)ccc1F ZINC000444743305 387920184 /nfs/dbraw/zinc/92/01/84/387920184.db2.gz KYJOPWWNXNRLJN-UHFFFAOYSA-N 0 0 221.319 3.532 20 30 BHEDRN C=C(CC)C[N@H+](C)Cc1ccc(F)c(C)c1 ZINC000444745300 387919051 /nfs/dbraw/zinc/91/90/51/387919051.db2.gz UHFLDSGDNFXLSE-UHFFFAOYSA-N 0 0 221.319 3.532 20 30 BHEDRN CC(C)(C)[C@H]1CN(CCCC#N)c2ccccc21 ZINC000444773537 201635915 /nfs/dbraw/zinc/63/59/15/201635915.db2.gz DWKCWLBHRJJJCV-AWEZNQCLSA-N 0 0 242.366 3.940 20 30 BHEDRN CC(C)(C)[C@@H]1CN(CCCC#N)c2ccccc21 ZINC000444773538 387926429 /nfs/dbraw/zinc/92/64/29/387926429.db2.gz DWKCWLBHRJJJCV-CQSZACIVSA-N 0 0 242.366 3.940 20 30 BHEDRN C=CC[C@@H]1N(CC(F)(F)F)CCCC1(C)C ZINC000444786512 387932855 /nfs/dbraw/zinc/93/28/55/387932855.db2.gz VFWONXPWTXUBGB-JTQLQIEISA-N 0 0 235.293 3.615 20 30 BHEDRN C=CC[C@H]1N(CC(F)(F)F)CCCC1(C)C ZINC000444786513 387932395 /nfs/dbraw/zinc/93/23/95/387932395.db2.gz VFWONXPWTXUBGB-SNVBAGLBSA-N 0 0 235.293 3.615 20 30 BHEDRN N#CCCN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000444795316 387933148 /nfs/dbraw/zinc/93/31/48/387933148.db2.gz MAVRCIGKWUYKAV-AWEZNQCLSA-N 0 0 248.757 3.781 20 30 BHEDRN N#CCCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000444795317 387933047 /nfs/dbraw/zinc/93/30/47/387933047.db2.gz MAVRCIGKWUYKAV-CQSZACIVSA-N 0 0 248.757 3.781 20 30 BHEDRN C=CCCCc1nc(-c2cc(C)ccc2F)no1 ZINC000445459345 387534881 /nfs/dbraw/zinc/53/48/81/387534881.db2.gz ZYFIUCJYIHPOJC-UHFFFAOYSA-N 0 0 246.285 3.693 20 30 BHEDRN C=CCC(CC=C)c1nc(-c2ccoc2)no1 ZINC000445463968 387578441 /nfs/dbraw/zinc/57/84/41/387578441.db2.gz LIKTZGMPQOHBNI-UHFFFAOYSA-N 0 0 230.267 3.565 20 30 BHEDRN C=CCCc1nc(C(C)(C)c2ccccc2)no1 ZINC000445474583 201643565 /nfs/dbraw/zinc/64/35/65/201643565.db2.gz YMYBMKNDDZWUOW-UHFFFAOYSA-N 0 0 242.322 3.514 20 30 BHEDRN C=CCCc1nc(-c2ccc(Cl)s2)no1 ZINC000445563948 201646246 /nfs/dbraw/zinc/64/62/46/201646246.db2.gz DWRLFLPUWIYKJB-UHFFFAOYSA-N 0 0 240.715 3.570 20 30 BHEDRN C=CCCc1nc(-c2coc3ccccc23)no1 ZINC000445577738 387949945 /nfs/dbraw/zinc/94/99/45/387949945.db2.gz WIJPYEMPOCCXKX-UHFFFAOYSA-N 0 0 240.262 3.601 20 30 BHEDRN C=CCCCc1nc(-c2cscc2C)no1 ZINC000445641074 387954137 /nfs/dbraw/zinc/95/41/37/387954137.db2.gz SQBXPJJOERZLNO-UHFFFAOYSA-N 0 0 234.324 3.615 20 30 BHEDRN N#Cc1ccc(N2CCCC3(CCCC3)C2)cc1 ZINC000445664636 206086136 /nfs/dbraw/zinc/08/61/36/206086136.db2.gz MFMYCXPWFJQOBK-UHFFFAOYSA-N 0 0 240.350 3.719 20 30 BHEDRN CC1(C)CCCCN(c2ccc(C#N)cc2)C1 ZINC000445665975 388639395 /nfs/dbraw/zinc/63/93/95/388639395.db2.gz SCWJJNNFGVZGFM-UHFFFAOYSA-N 0 0 228.339 3.575 20 30 BHEDRN C=CCCCc1nc(C2(CC)CCCC2)no1 ZINC000445804096 201652772 /nfs/dbraw/zinc/65/27/72/201652772.db2.gz XDRKKSUJRWXYJY-UHFFFAOYSA-N 0 0 234.343 3.800 20 30 BHEDRN C=C1CCN(C(=O)C2(CC(C)C)CCCC2)CC1 ZINC000446183613 201676520 /nfs/dbraw/zinc/67/65/20/201676520.db2.gz MBOINODEKVEJFZ-UHFFFAOYSA-N 0 0 249.398 3.772 20 30 BHEDRN C=CCCC(=O)NCC1(CC(C)C)CCCC1 ZINC000446294866 201680595 /nfs/dbraw/zinc/68/05/95/201680595.db2.gz FYFAEVYKNPPXPB-UHFFFAOYSA-N 0 0 237.387 3.675 20 30 BHEDRN CC[C@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000446839524 388040246 /nfs/dbraw/zinc/04/02/46/388040246.db2.gz BCJGRCQRXDBDHU-HNNXBMFYSA-N 0 0 247.769 3.566 20 30 BHEDRN CC[C@@H]1CCC[N@@H+]1CC#Cc1cccc(Cl)c1 ZINC000446839525 388040824 /nfs/dbraw/zinc/04/08/24/388040824.db2.gz 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C=CCCCCCn1ncc(Cl)c1C ZINC000447327959 388064039 /nfs/dbraw/zinc/06/40/39/388064039.db2.gz WMZOCYASAZGEMH-UHFFFAOYSA-N 0 0 212.724 3.591 20 30 BHEDRN C=CCCCCCOc1cccnc1C ZINC000447327973 388064139 /nfs/dbraw/zinc/06/41/39/388064139.db2.gz WRPVUWLOXKMEAZ-UHFFFAOYSA-N 0 0 205.301 3.515 20 30 BHEDRN C=C1CCN(Cc2ccc(C)cc2Cl)CC1 ZINC000447345012 388064076 /nfs/dbraw/zinc/06/40/76/388064076.db2.gz HABIRLCCFIPYEO-UHFFFAOYSA-N 0 0 235.758 3.800 20 30 BHEDRN N#Cc1ccc(/C=C\c2sccc2Cl)nc1 ZINC000447364924 488149527 /nfs/dbraw/zinc/14/95/27/488149527.db2.gz FGTMLSRRRHNMDA-ARJAWSKDSA-N 0 0 246.722 3.839 20 30 BHEDRN N#Cc1ccc(/C=C\c2cc(Cl)cs2)nc1 ZINC000447368161 488149888 /nfs/dbraw/zinc/14/98/88/488149888.db2.gz PEJYWKQAQBVANV-ARJAWSKDSA-N 0 0 246.722 3.839 20 30 BHEDRN CC(C)[C@@H]1CN(CCCCC#N)c2ccccc21 ZINC000447395670 388068464 /nfs/dbraw/zinc/06/84/64/388068464.db2.gz OGDFLDZAYDVJSO-HNNXBMFYSA-N 0 0 242.366 3.940 20 30 BHEDRN CC(C)[C@H]1CN(CCCCC#N)c2ccccc21 ZINC000447395674 388069092 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CC(C)=CCSc1cccc(F)c1C#N ZINC000447685622 490290984 /nfs/dbraw/zinc/29/09/84/490290984.db2.gz AESCVOAMPZUOFQ-UHFFFAOYSA-N 0 0 221.300 3.756 20 30 BHEDRN CC(C)=CCSc1ccc(C#N)cc1[N+](=O)[O-] ZINC000447689021 201732466 /nfs/dbraw/zinc/73/24/66/201732466.db2.gz JARZHJKKYZDTKR-UHFFFAOYSA-N 0 0 248.307 3.525 20 30 BHEDRN CC(C)=CCSc1ncc(C#N)cc1Cl ZINC000447691417 490290975 /nfs/dbraw/zinc/29/09/75/490290975.db2.gz REGGEUICLPPZIB-UHFFFAOYSA-N 0 0 238.743 3.665 20 30 BHEDRN CC(C)=CCSc1cc(C#N)ccc1[N+](=O)[O-] ZINC000447695861 398313012 /nfs/dbraw/zinc/31/30/12/398313012.db2.gz ZBPYTRIPARGWLI-UHFFFAOYSA-N 0 0 248.307 3.525 20 30 BHEDRN CC(C)=CCSc1ccc(Cl)c(C#N)n1 ZINC000447695868 398313312 /nfs/dbraw/zinc/31/33/12/398313312.db2.gz ZDQMIVYHFQJPEZ-UHFFFAOYSA-N 0 0 238.743 3.665 20 30 BHEDRN C=C1CCN(Cc2ccc(C)c(Cl)c2)CC1 ZINC000447735247 388089622 /nfs/dbraw/zinc/08/96/22/388089622.db2.gz CMLVAHOBWOZIEW-UHFFFAOYSA-N 0 0 235.758 3.800 20 30 BHEDRN CC#CCCOc1cccc(-c2nccs2)c1 ZINC000447791585 388092683 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ZINC000456809100 388222723 /nfs/dbraw/zinc/22/27/23/388222723.db2.gz ALULJMSLNSRBGQ-YRNVUSSQSA-N 0 0 243.350 3.562 20 30 BHEDRN C=C(CC)CNC(=O)[C@H](c1ccccc1)C(C)C ZINC000456809498 388223409 /nfs/dbraw/zinc/22/34/09/388223409.db2.gz BYWLAMJMVJRLNJ-HNNXBMFYSA-N 0 0 245.366 3.509 20 30 BHEDRN C=C(CC)CNC(=O)[C@@H](c1ccccc1)C(C)C ZINC000456809499 388223493 /nfs/dbraw/zinc/22/34/93/388223493.db2.gz BYWLAMJMVJRLNJ-OAHLLOKOSA-N 0 0 245.366 3.509 20 30 BHEDRN C=C(CC)CNC(=O)c1ccc(C(C)C)s1 ZINC000456809972 388223105 /nfs/dbraw/zinc/22/31/05/388223105.db2.gz DFUHNDIFQNSJQM-UHFFFAOYSA-N 0 0 237.368 3.568 20 30 BHEDRN C=C(CC)CNC(=O)[C@H](C)CCC(C)(C)C ZINC000456812633 388223932 /nfs/dbraw/zinc/22/39/32/388223932.db2.gz NVQMLLVZWKNYFH-GFCCVEGCSA-N 0 0 225.376 3.531 20 30 BHEDRN C=C(CC)CNC(=O)[C@@H](C)CCC(C)(C)C ZINC000456812635 388224187 /nfs/dbraw/zinc/22/41/87/388224187.db2.gz NVQMLLVZWKNYFH-LBPRGKRZSA-N 0 0 225.376 3.531 20 30 BHEDRN C=C(CC)CNC(=O)CC[C@H](C)c1ccccc1 ZINC000456813273 200805600 /nfs/dbraw/zinc/80/56/00/200805600.db2.gz QBRYYPSDAOMMTO-AWEZNQCLSA-N 0 0 245.366 3.653 20 30 BHEDRN C=C(CC)CNC(=O)CC[C@@H](C)c1ccccc1 ZINC000456813274 386150927 /nfs/dbraw/zinc/15/09/27/386150927.db2.gz QBRYYPSDAOMMTO-CQSZACIVSA-N 0 0 245.366 3.653 20 30 BHEDRN C=C(CC)CNC(=O)C[C@H](C)c1ccccc1C ZINC000456813733 388224031 /nfs/dbraw/zinc/22/40/31/388224031.db2.gz RKGDMXUBVPCMPZ-AWEZNQCLSA-N 0 0 245.366 3.571 20 30 BHEDRN C=C(CC)CNC(=O)C[C@@H](C)c1ccccc1C ZINC000456813734 388224190 /nfs/dbraw/zinc/22/41/90/388224190.db2.gz RKGDMXUBVPCMPZ-CQSZACIVSA-N 0 0 245.366 3.571 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N1C[C@H](CC)CC[C@@H]1C ZINC000456818995 202981724 /nfs/dbraw/zinc/98/17/24/202981724.db2.gz LMIYDPFAVYRCIZ-GUTXKFCHSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N1C[C@H](CC)CC[C@@H]1C ZINC000456818996 388225140 /nfs/dbraw/zinc/22/51/40/388225140.db2.gz LMIYDPFAVYRCIZ-GZBFAFLISA-N 0 0 237.387 3.626 20 30 BHEDRN C=CCC(C)(C)C(=O)N1C[C@H](CC)CC[C@@H]1C ZINC000456822407 388225645 /nfs/dbraw/zinc/22/56/45/388225645.db2.gz RLQXJUSEAZVYPW-QWHCGFSZSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(CC)CNC(=O)[C@@H](CCC)c1ccccc1 ZINC000456823541 388225453 /nfs/dbraw/zinc/22/54/53/388225453.db2.gz BNNUZYYKFADZAV-HNNXBMFYSA-N 0 0 245.366 3.653 20 30 BHEDRN C=C(CC)CNC(=O)[C@H](CCC)c1ccccc1 ZINC000456823543 388225634 /nfs/dbraw/zinc/22/56/34/388225634.db2.gz BNNUZYYKFADZAV-OAHLLOKOSA-N 0 0 245.366 3.653 20 30 BHEDRN C=C(CC)CNC(=O)c1sccc1C(C)C ZINC000456824945 388225597 /nfs/dbraw/zinc/22/55/97/388225597.db2.gz FRWBPUNFYDIHFM-UHFFFAOYSA-N 0 0 237.368 3.568 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1C[C@H](CC)CC[C@@H]1C ZINC000456825247 388225749 /nfs/dbraw/zinc/22/57/49/388225749.db2.gz WCOBMRBMFLOHRD-HZSPNIEDSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1C[C@H](CC)CC[C@@H]1C ZINC000456825248 388225731 /nfs/dbraw/zinc/22/57/31/388225731.db2.gz WCOBMRBMFLOHRD-MELADBBJSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CCCC1(C(=O)N2C[C@H](CC)CC[C@@H]2C)CC1 ZINC000456826313 388225800 /nfs/dbraw/zinc/22/58/00/388225800.db2.gz WWVCVLXBXKBZMM-UONOGXRCSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C(CC)CNC(=O)C[C@H](CC)c1ccccc1 ZINC000456828441 202981958 /nfs/dbraw/zinc/98/19/58/202981958.db2.gz MCTPQCCCFSHWHQ-AWEZNQCLSA-N 0 0 245.366 3.653 20 30 BHEDRN C=C(CC)CNC(=O)C[C@@H](CC)c1ccccc1 ZINC000456828442 386161442 /nfs/dbraw/zinc/16/14/42/386161442.db2.gz MCTPQCCCFSHWHQ-CQSZACIVSA-N 0 0 245.366 3.653 20 30 BHEDRN C=CCC1(C(=O)N2C[C@H](CC)CC[C@@H]2C)CCC1 ZINC000456828524 388225737 /nfs/dbraw/zinc/22/57/37/388225737.db2.gz ZMEHCGZUECFUEC-UONOGXRCSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CCC1(C(=O)NCC(=C)CC)CCCCC1 ZINC000456838045 202983980 /nfs/dbraw/zinc/98/39/80/202983980.db2.gz JEEWLFAIMJWPTH-UHFFFAOYSA-N 0 0 235.371 3.595 20 30 BHEDRN C=CCCCC(=O)N(C)Cc1ccc(C)c(C)c1 ZINC000456962651 388235384 /nfs/dbraw/zinc/23/53/84/388235384.db2.gz NOSCKONRSHKQRB-UHFFFAOYSA-N 0 0 245.366 3.618 20 30 BHEDRN C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000456981670 206119599 /nfs/dbraw/zinc/11/95/99/206119599.db2.gz OCXLUXRILFCKEM-AGIUHOORSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CC(C)(C)C(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000456981671 206119049 /nfs/dbraw/zinc/11/90/49/206119049.db2.gz OCXLUXRILFCKEM-AVGNSLFASA-N 0 0 237.387 3.530 20 30 BHEDRN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000456981672 206118203 /nfs/dbraw/zinc/11/82/03/206118203.db2.gz OCXLUXRILFCKEM-FRRDWIJNSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CC(C)(C)C(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000456981673 206118170 /nfs/dbraw/zinc/11/81/70/206118170.db2.gz OCXLUXRILFCKEM-RWMBFGLXSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CCCCC(=O)N[C@H](C)c1cccc(C)c1 ZINC000457005397 203000098 /nfs/dbraw/zinc/00/00/98/203000098.db2.gz CLVMBIUNXHWNAQ-CYBMUJFWSA-N 0 0 231.339 3.529 20 30 BHEDRN C=CCCCC(=O)N[C@@H](C)c1cccc(C)c1 ZINC000457005398 202999188 /nfs/dbraw/zinc/99/91/88/202999188.db2.gz CLVMBIUNXHWNAQ-ZDUSSCGKSA-N 0 0 231.339 3.529 20 30 BHEDRN C=CCCCC(=O)N1CC[C@H](CC(C)(C)C)C1 ZINC000457005653 388236622 /nfs/dbraw/zinc/23/66/22/388236622.db2.gz DEGWLLOASDDKHM-CYBMUJFWSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CCCCC(=O)N1CC[C@@H](CC(C)(C)C)C1 ZINC000457005654 388236697 /nfs/dbraw/zinc/23/66/97/388236697.db2.gz DEGWLLOASDDKHM-ZDUSSCGKSA-N 0 0 237.387 3.627 20 30 BHEDRN CC#CCCCC(=O)N[C@@H](C)[C@H]1CCC[C@@H](C)C1 ZINC000457012549 202999617 /nfs/dbraw/zinc/99/96/17/202999617.db2.gz SWZHDDALVYTYPS-ILXRZTDVSA-N 0 0 249.398 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@@H](C)[C@H]1CCC[C@H](C)C1 ZINC000457012550 203000244 /nfs/dbraw/zinc/00/02/44/203000244.db2.gz SWZHDDALVYTYPS-KKUMJFAQSA-N 0 0 249.398 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@@H](C)[C@@H]1CCC[C@@H](C)C1 ZINC000457012551 388237182 /nfs/dbraw/zinc/23/71/82/388237182.db2.gz SWZHDDALVYTYPS-QLFBSQMISA-N 0 0 249.398 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@@H](C)[C@@H]1CCC[C@H](C)C1 ZINC000457012552 203000521 /nfs/dbraw/zinc/00/05/21/203000521.db2.gz SWZHDDALVYTYPS-SOUVJXGZSA-N 0 0 249.398 3.511 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000457043056 205900821 /nfs/dbraw/zinc/90/08/21/205900821.db2.gz GQDDZGOCAZCQIS-BBRMVZONSA-N 0 0 245.366 3.775 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1cccc(C)c1 ZINC000457043058 386345668 /nfs/dbraw/zinc/34/56/68/386345668.db2.gz GQDDZGOCAZCQIS-CJNGLKHVSA-N 0 0 245.366 3.775 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H](C)c1cccc(C)c1 ZINC000457043060 386343744 /nfs/dbraw/zinc/34/37/44/386343744.db2.gz GQDDZGOCAZCQIS-CZUORRHYSA-N 0 0 245.366 3.775 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000457043063 205900988 /nfs/dbraw/zinc/90/09/88/205900988.db2.gz GQDDZGOCAZCQIS-XJKSGUPXSA-N 0 0 245.366 3.775 20 30 BHEDRN CC#CCCCC(=O)N(C(C)C)C1CC(C)(C)C1 ZINC000457073491 203004814 /nfs/dbraw/zinc/00/48/14/203004814.db2.gz MHSOOMDWSGYOIR-UHFFFAOYSA-N 0 0 249.398 3.606 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000457073673 203006003 /nfs/dbraw/zinc/00/60/03/203006003.db2.gz IDQGTTDVZAACCG-KBPBESRZSA-N 0 0 245.366 3.775 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000457073675 398236449 /nfs/dbraw/zinc/23/64/49/398236449.db2.gz IDQGTTDVZAACCG-KGLIPLIRSA-N 0 0 245.366 3.775 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1cccc(C)c1 ZINC000457073676 398236813 /nfs/dbraw/zinc/23/68/13/398236813.db2.gz IDQGTTDVZAACCG-UONOGXRCSA-N 0 0 245.366 3.775 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1cccc(C)c1 ZINC000457073677 398236644 /nfs/dbraw/zinc/23/66/44/398236644.db2.gz IDQGTTDVZAACCG-ZIAGYGMSSA-N 0 0 245.366 3.775 20 30 BHEDRN C=CCC(C)(C)C(=O)N[C@H](C)c1cccc(C)c1 ZINC000457082383 203007129 /nfs/dbraw/zinc/00/71/29/203007129.db2.gz NHXBLUFCWISVRN-CYBMUJFWSA-N 0 0 245.366 3.775 20 30 BHEDRN C=CCC(C)(C)C(=O)N[C@@H](C)c1cccc(C)c1 ZINC000457082385 203007096 /nfs/dbraw/zinc/00/70/96/203007096.db2.gz NHXBLUFCWISVRN-ZDUSSCGKSA-N 0 0 245.366 3.775 20 30 BHEDRN C=CCCCC(=O)N(C(C)C)C1CC(C)(C)C1 ZINC000457083927 203008108 /nfs/dbraw/zinc/00/81/08/203008108.db2.gz ZTPUNASFKPRCGS-UHFFFAOYSA-N 0 0 237.387 3.768 20 30 BHEDRN C=CC(C)(C)C(=O)N1CC2(CCCC2)[C@H]1C(C)C ZINC000457146608 203009253 /nfs/dbraw/zinc/00/92/53/203009253.db2.gz PEWSXPYKSAXHBU-CYBMUJFWSA-N 0 0 249.398 3.626 20 30 BHEDRN C=CC(C)(C)C(=O)N1CC2(CCCC2)[C@@H]1C(C)C ZINC000457146610 203009959 /nfs/dbraw/zinc/00/99/59/203009959.db2.gz PEWSXPYKSAXHBU-ZDUSSCGKSA-N 0 0 249.398 3.626 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)NCC1(C2CCC2)CCC1 ZINC000457155690 203011097 /nfs/dbraw/zinc/01/10/97/203011097.db2.gz DGAXXHKMCDFRTH-HNNXBMFYSA-N 0 0 249.398 3.675 20 30 BHEDRN C=C[C@](C)(CC)C(=O)NCC1(C2CCC2)CCC1 ZINC000457155691 203011180 /nfs/dbraw/zinc/01/11/80/203011180.db2.gz DGAXXHKMCDFRTH-OAHLLOKOSA-N 0 0 249.398 3.675 20 30 BHEDRN C=CCC(C)(C)C(=O)NCC1(C2CCC2)CCC1 ZINC000457162624 203012565 /nfs/dbraw/zinc/01/25/65/203012565.db2.gz QTHXKTJDENYYLF-UHFFFAOYSA-N 0 0 249.398 3.675 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCC1(C2CCC2)CCC1 ZINC000457166497 203011564 /nfs/dbraw/zinc/01/15/64/203011564.db2.gz WOBQOMRCJHAFIU-CYBMUJFWSA-N 0 0 249.398 3.675 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCC1(C2CCC2)CCC1 ZINC000457166500 203011221 /nfs/dbraw/zinc/01/12/21/203011221.db2.gz WOBQOMRCJHAFIU-ZDUSSCGKSA-N 0 0 249.398 3.675 20 30 BHEDRN C=CCCCC(=O)N1CC2(CCCC2)[C@@H]1C(C)C ZINC000457175450 203013694 /nfs/dbraw/zinc/01/36/94/203013694.db2.gz SKANSNQNSQKSNQ-HNNXBMFYSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CCCCC(=O)N1CC2(CCCC2)[C@H]1C(C)C ZINC000457175453 203014045 /nfs/dbraw/zinc/01/40/45/203014045.db2.gz SKANSNQNSQKSNQ-OAHLLOKOSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)NCC(C)(C)C1=CCCC1 ZINC000457176589 203014026 /nfs/dbraw/zinc/01/40/26/203014026.db2.gz GOUIBPJFEHCSLJ-INIZCTEOSA-N 0 0 249.398 3.841 20 30 BHEDRN C=C[C@](C)(CC)C(=O)NCC(C)(C)C1=CCCC1 ZINC000457176591 203013310 /nfs/dbraw/zinc/01/33/10/203013310.db2.gz GOUIBPJFEHCSLJ-MRXNPFEDSA-N 0 0 249.398 3.841 20 30 BHEDRN C=CCC(C)(C)C(=O)N[C@H](C)CC(C)(C)C ZINC000457183104 203014208 /nfs/dbraw/zinc/01/42/08/203014208.db2.gz ALFIMPSAOPNAQM-LLVKDONJSA-N 0 0 225.376 3.530 20 30 BHEDRN 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ZINC000462327290 388266404 /nfs/dbraw/zinc/26/64/04/388266404.db2.gz NTMRFALKZNBKDJ-MRXNPFEDSA-N 0 0 245.341 3.766 20 30 BHEDRN CC#CCC[N@@H+](CC)Cc1ccccc1Cl ZINC000462329100 388266842 /nfs/dbraw/zinc/26/68/42/388266842.db2.gz VBFWKJFQYAIBJX-UHFFFAOYSA-N 0 0 235.758 3.575 20 30 BHEDRN CC#CCC[N@H+](C)[C@H](C)c1ccccc1Cl ZINC000462329119 388266611 /nfs/dbraw/zinc/26/66/11/388266611.db2.gz VFCGSLMWPVUJGL-GFCCVEGCSA-N 0 0 235.758 3.746 20 30 BHEDRN CC#CCC[N@H+](C)[C@@H](C)c1ccccc1Cl ZINC000462329120 388266571 /nfs/dbraw/zinc/26/65/71/388266571.db2.gz VFCGSLMWPVUJGL-LBPRGKRZSA-N 0 0 235.758 3.746 20 30 BHEDRN CC#CCC[N@H+](Cc1ccc(Cl)cc1)C1CC1 ZINC000462329256 388266777 /nfs/dbraw/zinc/26/67/77/388266777.db2.gz YERQFBDXYXACTI-UHFFFAOYSA-N 0 0 247.769 3.718 20 30 BHEDRN CC#CCC[N@H+](C)Cc1csc2ccccc12 ZINC000462329370 388266426 /nfs/dbraw/zinc/26/64/26/388266426.db2.gz WQQVPRWBOPHYGW-UHFFFAOYSA-N 0 0 243.375 3.747 20 30 BHEDRN CC#CCC[N@@H+]1CCC[C@@H]1/C=C/c1ccccc1 ZINC000462334676 388266758 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3.521 20 30 BHEDRN CC#CCCSc1nc2ccccc2n1CC ZINC000462368303 388267575 /nfs/dbraw/zinc/26/75/75/388267575.db2.gz MBXQWIRFKVVHSM-UHFFFAOYSA-N 0 0 244.363 3.562 20 30 BHEDRN CC#CCCSCc1ccc(C)cc1 ZINC000462369290 388267229 /nfs/dbraw/zinc/26/72/29/388267229.db2.gz JNPHRFAJSDQAAY-UHFFFAOYSA-N 0 0 204.338 3.642 20 30 BHEDRN CC#CCCSCCOc1cccc(C)c1 ZINC000462369815 388267451 /nfs/dbraw/zinc/26/74/51/388267451.db2.gz OHLUOCMFNGMHOO-UHFFFAOYSA-N 0 0 234.364 3.520 20 30 BHEDRN CC#CCCSCCCc1ccccc1 ZINC000462370206 526339844 /nfs/dbraw/zinc/33/98/44/526339844.db2.gz BHTWMPRRHIBNJF-UHFFFAOYSA-N 0 0 218.365 3.766 20 30 BHEDRN CC#CCCSCCc1ccc(F)c(F)c1 ZINC000462370338 388267455 /nfs/dbraw/zinc/26/74/55/388267455.db2.gz QEDGPRLWXQJUPB-UHFFFAOYSA-N 0 0 240.318 3.654 20 30 BHEDRN N#Cc1cccc(Cl)c1NC[C@@H]1CC=CCC1 ZINC000462370749 388608799 /nfs/dbraw/zinc/60/87/99/388608799.db2.gz RJDRCMRSMKDPJS-LLVKDONJSA-N 0 0 246.741 3.980 20 30 BHEDRN N#Cc1cccc(Cl)c1NC[C@H]1CC=CCC1 ZINC000462370760 388608761 /nfs/dbraw/zinc/60/87/61/388608761.db2.gz RJDRCMRSMKDPJS-NSHDSACASA-N 0 0 246.741 3.980 20 30 BHEDRN CC#CCCSCCCc1ccsc1 ZINC000462371552 526342212 /nfs/dbraw/zinc/34/22/12/526342212.db2.gz QLBPTZFMGCOUBI-UHFFFAOYSA-N 0 0 224.394 3.827 20 30 BHEDRN CC#CCCSCCCCC(F)(F)F ZINC000462372470 388267573 /nfs/dbraw/zinc/26/75/73/388267573.db2.gz KCLRRHZHHKZIQX-UHFFFAOYSA-N 0 0 224.291 3.866 20 30 BHEDRN CC#CCCSCCc1cccc(F)c1F ZINC000462372685 388267564 /nfs/dbraw/zinc/26/75/64/388267564.db2.gz YDXHBFKPOIGMTP-UHFFFAOYSA-N 0 0 240.318 3.654 20 30 BHEDRN CC#CCCSC/C=C/c1ccccc1 ZINC000462373342 388267604 /nfs/dbraw/zinc/26/76/04/388267604.db2.gz OIGDAWWGNTUKGK-DHZHZOJOSA-N 0 0 216.349 3.846 20 30 BHEDRN CC#CCCSC/C=C\c1ccccc1 ZINC000462373351 388267518 /nfs/dbraw/zinc/26/75/18/388267518.db2.gz OIGDAWWGNTUKGK-FLIBITNWSA-N 0 0 216.349 3.846 20 30 BHEDRN CC#CCCSCc1ccn(C2CCCC2)n1 ZINC000462373945 388267506 /nfs/dbraw/zinc/26/75/06/388267506.db2.gz ZUOOUINRKOSYLZ-UHFFFAOYSA-N 0 0 248.395 3.645 20 30 BHEDRN CC#CCCOc1ccc(-c2ccccc2)nc1 ZINC000462374493 388267461 /nfs/dbraw/zinc/26/74/61/388267461.db2.gz XAMAFYUGNRNBOR-UHFFFAOYSA-N 0 0 237.302 3.541 20 30 BHEDRN CC#CCCSCc1ccc(F)c(F)c1 ZINC000462376024 388267404 /nfs/dbraw/zinc/26/74/04/388267404.db2.gz HETLKPLGDLRNHE-UHFFFAOYSA-N 0 0 226.291 3.611 20 30 BHEDRN CC#CCCSCc1ccc(F)cc1F ZINC000462376479 388267605 /nfs/dbraw/zinc/26/76/05/388267605.db2.gz KCMFSSUOHVMTJL-UHFFFAOYSA-N 0 0 226.291 3.611 20 30 BHEDRN CC#CCCSCc1cccc(C)c1 ZINC000462377230 388267500 /nfs/dbraw/zinc/26/75/00/388267500.db2.gz MJJMXJRLJBTUJH-UHFFFAOYSA-N 0 0 204.338 3.642 20 30 BHEDRN CC#CCCSCc1cc(C)ccc1OC ZINC000462378754 384382562 /nfs/dbraw/zinc/38/25/62/384382562.db2.gz UBPQFAMCBDRMCA-UHFFFAOYSA-N 0 0 234.364 3.650 20 30 BHEDRN CC#CCCSCCCOc1ccccc1 ZINC000462379096 526340612 /nfs/dbraw/zinc/34/06/12/526340612.db2.gz IIIFAVPERPHPJI-UHFFFAOYSA-N 0 0 234.364 3.602 20 30 BHEDRN CC#CCCS[C@H](C)c1ccccc1 ZINC000462379885 388267331 /nfs/dbraw/zinc/26/73/31/388267331.db2.gz VCSGJDWHLCMKNS-GFCCVEGCSA-N 0 0 204.338 3.894 20 30 BHEDRN CC#CCCS[C@@H](C)c1ccccc1 ZINC000462379886 526341184 /nfs/dbraw/zinc/34/11/84/526341184.db2.gz VCSGJDWHLCMKNS-LBPRGKRZSA-N 0 0 204.338 3.894 20 30 BHEDRN CC#CCCSCc1ccccc1C ZINC000462380675 388267352 /nfs/dbraw/zinc/26/73/52/388267352.db2.gz XLFUMDTYWMNUJS-UHFFFAOYSA-N 0 0 204.338 3.642 20 30 BHEDRN CC#CCCSC[C@@H](C)c1ccccc1 ZINC000462381068 388267476 /nfs/dbraw/zinc/26/74/76/388267476.db2.gz YYSOUGWVFVHUTK-CYBMUJFWSA-N 0 0 218.365 3.937 20 30 BHEDRN CC#CCCSC[C@H](C)c1ccccc1 ZINC000462381069 388267338 /nfs/dbraw/zinc/26/73/38/388267338.db2.gz YYSOUGWVFVHUTK-ZDUSSCGKSA-N 0 0 218.365 3.937 20 30 BHEDRN CC#CCCOc1ccc2ccc(OC)cc2c1 ZINC000462381291 388267497 /nfs/dbraw/zinc/26/74/97/388267497.db2.gz PKOBZXYTTARFEW-UHFFFAOYSA-N 0 0 240.302 3.641 20 30 BHEDRN CC#CCCSCc1cccc(F)c1F ZINC000462381442 388267513 /nfs/dbraw/zinc/26/75/13/388267513.db2.gz QFCNAPQUWHQPEG-UHFFFAOYSA-N 0 0 226.291 3.611 20 30 BHEDRN CC#CCCSc1ccc2ccccc2n1 ZINC000462384134 526341099 /nfs/dbraw/zinc/34/10/99/526341099.db2.gz NNGJRVZJHIVKQP-UHFFFAOYSA-N 0 0 227.332 3.740 20 30 BHEDRN C=CCCC[C@@H](C)Sc1ncc(C)cn1 ZINC000462386427 527273111 /nfs/dbraw/zinc/27/31/11/527273111.db2.gz DPUJSXUDPBDPRM-LLVKDONJSA-N 0 0 222.357 3.622 20 30 BHEDRN C=CCCC[C@H](C)Sc1ncc(C)cn1 ZINC000462386428 527297570 /nfs/dbraw/zinc/29/75/70/527297570.db2.gz DPUJSXUDPBDPRM-NSHDSACASA-N 0 0 222.357 3.622 20 30 BHEDRN CC#CCCOc1c(Cl)cccc1Cl ZINC000462388451 487862605 /nfs/dbraw/zinc/86/26/05/487862605.db2.gz ODRGGWNNHVXVJD-UHFFFAOYSA-N 0 0 229.106 3.786 20 30 BHEDRN C[C@@H]1CCCN(c2c(Cl)cccc2C#N)CC1 ZINC000462389411 369369738 /nfs/dbraw/zinc/36/97/38/369369738.db2.gz QUYMLJXFFBZOPW-LLVKDONJSA-N 0 0 248.757 3.838 20 30 BHEDRN C[C@H]1CCCN(c2c(Cl)cccc2C#N)CC1 ZINC000462389412 369368485 /nfs/dbraw/zinc/36/84/85/369368485.db2.gz QUYMLJXFFBZOPW-NSHDSACASA-N 0 0 248.757 3.838 20 30 BHEDRN C=CCCC[C@@H](C)S[C@@H](CC)C(=O)OCC ZINC000462391516 487862503 /nfs/dbraw/zinc/86/25/03/487862503.db2.gz XTZBSKZDLODXDI-NEPJUHHUSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@H](C)S[C@H](CC)C(=O)OCC ZINC000462391517 487862848 /nfs/dbraw/zinc/86/28/48/487862848.db2.gz XTZBSKZDLODXDI-NWDGAFQWSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@H](C)S[C@@H](CC)C(=O)OCC ZINC000462391518 487862323 /nfs/dbraw/zinc/86/23/23/487862323.db2.gz XTZBSKZDLODXDI-RYUDHWBXSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@@H](C)S[C@H](CC)C(=O)OCC ZINC000462391519 487862856 /nfs/dbraw/zinc/86/28/56/487862856.db2.gz XTZBSKZDLODXDI-VXGBXAGGSA-N 0 0 244.400 3.806 20 30 BHEDRN CC#CCCSc1ccc(C#N)cc1Cl ZINC000462393840 361951729 /nfs/dbraw/zinc/95/17/29/361951729.db2.gz CXMGBBWDBWMXFF-UHFFFAOYSA-N 0 0 235.739 3.717 20 30 BHEDRN C=CCCC[C@@H](C)Sc1ccc(C#N)cn1 ZINC000462395666 361951722 /nfs/dbraw/zinc/95/17/22/361951722.db2.gz PNWVGDAXZSJUDT-LLVKDONJSA-N 0 0 232.352 3.790 20 30 BHEDRN C=CCCC[C@H](C)Sc1ccc(C#N)cn1 ZINC000462395667 361951478 /nfs/dbraw/zinc/95/14/78/361951478.db2.gz PNWVGDAXZSJUDT-NSHDSACASA-N 0 0 232.352 3.790 20 30 BHEDRN CC#CCCSc1nc2cc(C)ccc2o1 ZINC000462396809 361951818 /nfs/dbraw/zinc/95/18/18/361951818.db2.gz YGZGWBLVWHFQKF-UHFFFAOYSA-N 0 0 231.320 3.642 20 30 BHEDRN C=CCCC[C@@H](C)S[C@H]1CCCOC1 ZINC000462400153 527272216 /nfs/dbraw/zinc/27/22/16/527272216.db2.gz DNHANOGCZKOXEO-NEPJUHHUSA-N 0 0 214.374 3.643 20 30 BHEDRN C=CCCC[C@H](C)S[C@@H]1CCCOC1 ZINC000462400154 527298308 /nfs/dbraw/zinc/29/83/08/527298308.db2.gz DNHANOGCZKOXEO-NWDGAFQWSA-N 0 0 214.374 3.643 20 30 BHEDRN C=CCCC[C@H](C)S[C@H]1CCCOC1 ZINC000462400155 527298182 /nfs/dbraw/zinc/29/81/82/527298182.db2.gz DNHANOGCZKOXEO-RYUDHWBXSA-N 0 0 214.374 3.643 20 30 BHEDRN C=CCCC[C@@H](C)S[C@@H]1CCCOC1 ZINC000462400156 527272086 /nfs/dbraw/zinc/27/20/86/527272086.db2.gz DNHANOGCZKOXEO-VXGBXAGGSA-N 0 0 214.374 3.643 20 30 BHEDRN C=CCCC[C@H](C)S[C@@H]1CCO[C@@H]1C ZINC000462408996 527297666 /nfs/dbraw/zinc/29/76/66/527297666.db2.gz PGOGMRSVTDWIAR-QJPTWQEYSA-N 0 0 214.374 3.642 20 30 BHEDRN C=CCCC[C@H](C)S[C@@H]1CCO[C@H]1C ZINC000462408998 527298373 /nfs/dbraw/zinc/29/83/73/527298373.db2.gz PGOGMRSVTDWIAR-SDDRHHMPSA-N 0 0 214.374 3.642 20 30 BHEDRN C=CCCC[C@H](C)S[C@H]1CCO[C@H]1C ZINC000462409000 527297681 /nfs/dbraw/zinc/29/76/81/527297681.db2.gz PGOGMRSVTDWIAR-SRVKXCTJSA-N 0 0 214.374 3.642 20 30 BHEDRN C=CCCC[C@H](C)S[C@H]1CCO[C@@H]1C ZINC000462409001 527297386 /nfs/dbraw/zinc/29/73/86/527297386.db2.gz PGOGMRSVTDWIAR-TUAOUCFPSA-N 0 0 214.374 3.642 20 30 BHEDRN CC#CCCS[C@H](C)c1ccccc1OC ZINC000462410996 526342024 /nfs/dbraw/zinc/34/20/24/526342024.db2.gz CBMHZTDXCXLSRE-GFCCVEGCSA-N 0 0 234.364 3.903 20 30 BHEDRN CC#CCCS[C@@H](C)c1ccccc1OC ZINC000462410997 526341597 /nfs/dbraw/zinc/34/15/97/526341597.db2.gz CBMHZTDXCXLSRE-LBPRGKRZSA-N 0 0 234.364 3.903 20 30 BHEDRN CC#CCCSc1cccc2cccnc21 ZINC000462412233 526341623 /nfs/dbraw/zinc/34/16/23/526341623.db2.gz TXYBUFOFKJDNHE-UHFFFAOYSA-N 0 0 227.332 3.740 20 30 BHEDRN C=CCCC[C@H](C)Sc1nnc(CCC)o1 ZINC000462413866 527297380 /nfs/dbraw/zinc/29/73/80/527297380.db2.gz WQMPLVDZJVDICZ-JTQLQIEISA-N 0 0 240.372 3.859 20 30 BHEDRN C=CCCC[C@@H](C)Sc1nnc(CCC)o1 ZINC000462413879 527272180 /nfs/dbraw/zinc/27/21/80/527272180.db2.gz WQMPLVDZJVDICZ-SNVBAGLBSA-N 0 0 240.372 3.859 20 30 BHEDRN C=CCCC[C@@H](C)SC1CCOCC1 ZINC000462414519 527272011 /nfs/dbraw/zinc/27/20/11/527272011.db2.gz XZKCMNCGHLMCAO-LLVKDONJSA-N 0 0 214.374 3.643 20 30 BHEDRN C=CCCC[C@H](C)SC1CCOCC1 ZINC000462414520 527297667 /nfs/dbraw/zinc/29/76/67/527297667.db2.gz XZKCMNCGHLMCAO-NSHDSACASA-N 0 0 214.374 3.643 20 30 BHEDRN C=CCN(C(=O)[C@@H](C)CC(C)C)c1ccccc1 ZINC000462440609 527541472 /nfs/dbraw/zinc/54/14/72/527541472.db2.gz LTVFZSSPYZRIMK-AWEZNQCLSA-N 0 0 245.366 3.888 20 30 BHEDRN C=CCN(C(=O)[C@H](C)CC(C)C)c1ccccc1 ZINC000462440610 491081850 /nfs/dbraw/zinc/08/18/50/491081850.db2.gz LTVFZSSPYZRIMK-CQSZACIVSA-N 0 0 245.366 3.888 20 30 BHEDRN C=CCc1ccccc1OCCCSC ZINC000462558266 388269318 /nfs/dbraw/zinc/26/93/18/388269318.db2.gz XIYZZWXBDXLKCM-UHFFFAOYSA-N 0 0 222.353 3.547 20 30 BHEDRN C=CCCCCCN(C)C(=O)[C@@H](C)CC(C)C ZINC000462630943 388269579 /nfs/dbraw/zinc/26/95/79/388269579.db2.gz JFEIEIXTJWABQW-AWEZNQCLSA-N 0 0 239.403 3.873 20 30 BHEDRN C=CCCCCCN(C)C(=O)[C@H](C)CC(C)C ZINC000462630944 388269772 /nfs/dbraw/zinc/26/97/72/388269772.db2.gz JFEIEIXTJWABQW-CQSZACIVSA-N 0 0 239.403 3.873 20 30 BHEDRN C=CCCCOc1ccc(OC(F)(F)F)cc1 ZINC000462662463 388269896 /nfs/dbraw/zinc/26/98/96/388269896.db2.gz XFMQLRWKTQOGRI-UHFFFAOYSA-N 0 0 246.228 3.930 20 30 BHEDRN C=CCCCOc1ccc(OCC=C)cc1 ZINC000462666964 388270208 /nfs/dbraw/zinc/27/02/08/388270208.db2.gz XYZIGVHCXQCYMT-UHFFFAOYSA-N 0 0 218.296 3.596 20 30 BHEDRN C=CCOc1ccc(OCCC(F)(F)F)cc1 ZINC000462683507 526894453 /nfs/dbraw/zinc/89/44/53/526894453.db2.gz UEWYOMOIJZFIFV-UHFFFAOYSA-N 0 0 246.228 3.583 20 30 BHEDRN C=CCCC(=O)Nc1cccc(C2CCC2)c1 ZINC000462725397 527078766 /nfs/dbraw/zinc/07/87/66/527078766.db2.gz HADXKZZHHNJNFC-UHFFFAOYSA-N 0 0 229.323 3.859 20 30 BHEDRN CCC1CCN(c2c(Cl)cccc2C#N)CC1 ZINC000462784718 527870199 /nfs/dbraw/zinc/87/01/99/527870199.db2.gz IJSVFQGEKXYJQF-UHFFFAOYSA-N 0 0 248.757 3.838 20 30 BHEDRN CN(CC1CCCC1)c1c(Cl)cccc1C#N ZINC000462797280 529864111 /nfs/dbraw/zinc/86/41/11/529864111.db2.gz CTPPGIZYVNFYDA-UHFFFAOYSA-N 0 0 248.757 3.838 20 30 BHEDRN CC1(C)CCN(c2c(Cl)cccc2C#N)CC1 ZINC000462800795 398294362 /nfs/dbraw/zinc/29/43/62/398294362.db2.gz FCQWMFGMLQSURM-UHFFFAOYSA-N 0 0 248.757 3.838 20 30 BHEDRN CN(CC(C)(C)C)c1c(Cl)cccc1C#N ZINC000462807360 388639300 /nfs/dbraw/zinc/63/93/00/388639300.db2.gz ASPHKQBULLYLHV-UHFFFAOYSA-N 0 0 236.746 3.694 20 30 BHEDRN CC[C@H](C)CN(C)c1c(Cl)cccc1C#N ZINC000462831309 398296268 /nfs/dbraw/zinc/29/62/68/398296268.db2.gz GZEPAIIXLBOXEI-JTQLQIEISA-N 0 0 236.746 3.694 20 30 BHEDRN CC[C@@H](C)CN(C)c1c(Cl)cccc1C#N ZINC000462831310 398295973 /nfs/dbraw/zinc/29/59/73/398295973.db2.gz GZEPAIIXLBOXEI-SNVBAGLBSA-N 0 0 236.746 3.694 20 30 BHEDRN C=CCCCN(C)c1ccc2ccc(F)cc2n1 ZINC000462855009 388273732 /nfs/dbraw/zinc/27/37/32/388273732.db2.gz NACOOQNTYBLGBW-UHFFFAOYSA-N 0 0 244.313 3.776 20 30 BHEDRN C=CCCCN(C)c1c(Cl)cccc1C#N ZINC000462857891 388272786 /nfs/dbraw/zinc/27/27/86/388272786.db2.gz XTPXVRUWIZHISN-UHFFFAOYSA-N 0 0 234.730 3.614 20 30 BHEDRN C=CCC[C@@H](CCC)Nc1cn(C)nc1C1CC1 ZINC000462862485 388273478 /nfs/dbraw/zinc/27/34/78/388273478.db2.gz OWEUIWIONFQBOU-CYBMUJFWSA-N 0 0 247.386 3.844 20 30 BHEDRN C=CCC[C@H](CCC)Nc1cn(C)nc1C1CC1 ZINC000462862486 388273750 /nfs/dbraw/zinc/27/37/50/388273750.db2.gz OWEUIWIONFQBOU-ZDUSSCGKSA-N 0 0 247.386 3.844 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccc2c(C)nn(C)c2c1 ZINC000462863489 527424922 /nfs/dbraw/zinc/42/49/22/527424922.db2.gz ZYRSWBGJAYMBJA-LLVKDONJSA-N 0 0 243.354 3.648 20 30 BHEDRN C=CCC[C@H](C)Nc1ccc2c(C)nn(C)c2c1 ZINC000462863491 527465474 /nfs/dbraw/zinc/46/54/74/527465474.db2.gz ZYRSWBGJAYMBJA-NSHDSACASA-N 0 0 243.354 3.648 20 30 BHEDRN N#Cc1ccc(N[C@@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000462874538 398296746 /nfs/dbraw/zinc/29/67/46/398296746.db2.gz MXQQAIVERZKXRL-DOTOQJQBSA-N 0 0 248.329 3.601 20 30 BHEDRN N#Cc1ccc(N[C@@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000462874539 398296687 /nfs/dbraw/zinc/29/66/87/398296687.db2.gz MXQQAIVERZKXRL-NVXWUHKLSA-N 0 0 248.329 3.601 20 30 BHEDRN N#Cc1ccc(N[C@H]2C[C@@H]2Cc2ccccc2)cc1 ZINC000462874540 398296803 /nfs/dbraw/zinc/29/68/03/398296803.db2.gz MXQQAIVERZKXRL-RDJZCZTQSA-N 0 0 248.329 3.601 20 30 BHEDRN N#Cc1ccc(N[C@H]2C[C@H]2Cc2ccccc2)cc1 ZINC000462874541 398296699 /nfs/dbraw/zinc/29/66/99/398296699.db2.gz MXQQAIVERZKXRL-WBVHZDCISA-N 0 0 248.329 3.601 20 30 BHEDRN C[C@@H]1CCC[C@H](C)N(c2cccc(F)c2C#N)C1 ZINC000462895068 388641900 /nfs/dbraw/zinc/64/19/00/388641900.db2.gz PUYPBEPUCFITCQ-NEPJUHHUSA-N 0 0 246.329 3.712 20 30 BHEDRN C[C@@H]1CCC[C@H](C)CN1c1cccc(F)c1C#N ZINC000462895069 388641842 /nfs/dbraw/zinc/64/18/42/388641842.db2.gz PUYPBEPUCFITCQ-NWDGAFQWSA-N 0 0 246.329 3.712 20 30 BHEDRN C[C@H]1CCC[C@H](C)N(c2cccc(F)c2C#N)C1 ZINC000462895070 388641530 /nfs/dbraw/zinc/64/15/30/388641530.db2.gz PUYPBEPUCFITCQ-RYUDHWBXSA-N 0 0 246.329 3.712 20 30 BHEDRN C[C@@H]1CCC[C@@H](C)N(c2cccc(F)c2C#N)C1 ZINC000462895072 388641829 /nfs/dbraw/zinc/64/18/29/388641829.db2.gz PUYPBEPUCFITCQ-VXGBXAGGSA-N 0 0 246.329 3.712 20 30 BHEDRN N#Cc1ccc(N[C@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000462910688 388642548 /nfs/dbraw/zinc/64/25/48/388642548.db2.gz DPQPNFGYPWLIQA-CVEARBPZSA-N 0 0 240.350 3.939 20 30 BHEDRN N#Cc1ccc(N[C@H]2C[C@H]2C2CCCCC2)cc1 ZINC000462910689 224949451 /nfs/dbraw/zinc/94/94/51/224949451.db2.gz DPQPNFGYPWLIQA-HOTGVXAUSA-N 0 0 240.350 3.939 20 30 BHEDRN N#Cc1ccc(N[C@@H]2C[C@@H]2C2CCCCC2)cc1 ZINC000462910690 388642648 /nfs/dbraw/zinc/64/26/48/388642648.db2.gz DPQPNFGYPWLIQA-HZPDHXFCSA-N 0 0 240.350 3.939 20 30 BHEDRN N#Cc1ccc(N[C@@H]2C[C@H]2C2CCCCC2)cc1 ZINC000462910691 388643202 /nfs/dbraw/zinc/64/32/02/388643202.db2.gz DPQPNFGYPWLIQA-JKSUJKDBSA-N 0 0 240.350 3.939 20 30 BHEDRN N#Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@@H]3C2)cc1 ZINC000462912362 388643530 /nfs/dbraw/zinc/64/35/30/388643530.db2.gz QSQAYGYYVFGKCS-IIAWOOMASA-N 0 0 240.350 3.939 20 30 BHEDRN N#Cc1ccc(N[C@@H]2CC[C@H]3CCC[C@H]3C2)cc1 ZINC000462912363 388643546 /nfs/dbraw/zinc/64/35/46/388643546.db2.gz QSQAYGYYVFGKCS-IJEWVQPXSA-N 0 0 240.350 3.939 20 30 BHEDRN N#Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@H]3C2)cc1 ZINC000462912364 388643735 /nfs/dbraw/zinc/64/37/35/388643735.db2.gz QSQAYGYYVFGKCS-OFQRWUPVSA-N 0 0 240.350 3.939 20 30 BHEDRN N#Cc1ccc(N[C@@H]2CC[C@@H]3CCC[C@@H]3C2)cc1 ZINC000462912365 388643497 /nfs/dbraw/zinc/64/34/97/388643497.db2.gz QSQAYGYYVFGKCS-SQWLQELKSA-N 0 0 240.350 3.939 20 30 BHEDRN CC[C@@H]1CCCN(c2c(Cl)cccc2C#N)C1 ZINC000462923839 388646766 /nfs/dbraw/zinc/64/67/66/388646766.db2.gz DXDXLFHKWGKKQJ-LLVKDONJSA-N 0 0 248.757 3.838 20 30 BHEDRN CC[C@H]1CCCN(c2c(Cl)cccc2C#N)C1 ZINC000462923841 529217841 /nfs/dbraw/zinc/21/78/41/529217841.db2.gz DXDXLFHKWGKKQJ-NSHDSACASA-N 0 0 248.757 3.838 20 30 BHEDRN CC[C@@]1(C)CCCN(c2ccc(F)cc2C#N)C1 ZINC000462925472 388645483 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/nfs/dbraw/zinc/10/09/51/388100951.db2.gz ZVAATBWNEVCJOX-CQSZACIVSA-N 0 0 237.387 3.607 20 30 BHEDRN CC#CCCCC(=O)N(CCCC)CCCC ZINC000464550292 388101052 /nfs/dbraw/zinc/10/10/52/388101052.db2.gz NGRIWBSVOAXKSD-UHFFFAOYSA-N 0 0 237.387 3.609 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC(C)(CC)CC1 ZINC000464552782 388101152 /nfs/dbraw/zinc/10/11/52/388101152.db2.gz BCPGVSOZJJESAX-CYBMUJFWSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC(C)(CC)CC1 ZINC000464552783 388101139 /nfs/dbraw/zinc/10/11/39/388101139.db2.gz BCPGVSOZJJESAX-ZDUSSCGKSA-N 0 0 237.387 3.627 20 30 BHEDRN CC#CCCCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000464553461 388101348 /nfs/dbraw/zinc/10/13/48/388101348.db2.gz CROSHMLARNYNGL-UHFFFAOYSA-N 0 0 249.741 3.781 20 30 BHEDRN CC#CCCCC(=O)N(CCCCC)C(C)C ZINC000464558850 388100916 /nfs/dbraw/zinc/10/09/16/388100916.db2.gz HQMOZTBSRQELJC-UHFFFAOYSA-N 0 0 237.387 3.607 20 30 BHEDRN CC#CCCCC(=O)N(CC)c1cccc(C)c1 ZINC000464560197 526289679 /nfs/dbraw/zinc/28/96/79/526289679.db2.gz LMBDYQNIALYYDE-UHFFFAOYSA-N 0 0 243.350 3.542 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(CC)c1cccc(C)c1 ZINC000464561870 388101480 /nfs/dbraw/zinc/10/14/80/388101480.db2.gz YBIIKHGWIBHUSK-AWEZNQCLSA-N 0 0 245.366 3.950 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(CC)c1cccc(C)c1 ZINC000464561871 388101434 /nfs/dbraw/zinc/10/14/34/388101434.db2.gz YBIIKHGWIBHUSK-CQSZACIVSA-N 0 0 245.366 3.950 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NC[C@@H](CC)CCCC ZINC000464564009 388101005 /nfs/dbraw/zinc/10/10/05/388101005.db2.gz SNIOVMXCFNBCGH-KBPBESRZSA-N 0 0 239.403 3.921 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NC[C@@H](CC)CCCC ZINC000464564010 388101141 /nfs/dbraw/zinc/10/11/41/388101141.db2.gz SNIOVMXCFNBCGH-KGLIPLIRSA-N 0 0 239.403 3.921 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NC[C@H](CC)CCCC ZINC000464564011 526712018 /nfs/dbraw/zinc/71/20/18/526712018.db2.gz SNIOVMXCFNBCGH-UONOGXRCSA-N 0 0 239.403 3.921 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NC[C@H](CC)CCCC ZINC000464564012 388100929 /nfs/dbraw/zinc/10/09/29/388100929.db2.gz SNIOVMXCFNBCGH-ZIAGYGMSSA-N 0 0 239.403 3.921 20 30 BHEDRN CC#CCCCC(=O)Nc1ccc(C(C)C)cc1 ZINC000464564728 388101087 /nfs/dbraw/zinc/10/10/87/388101087.db2.gz WXDVXTVYILJHQJ-UHFFFAOYSA-N 0 0 243.350 3.942 20 30 BHEDRN CC#CCCCC(=O)N(C)C1CCC(CC)CC1 ZINC000464565903 388101351 /nfs/dbraw/zinc/10/13/51/388101351.db2.gz CXYRXWAABVDGGR-UHFFFAOYSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N(CC(C)C)C1CCCC1 ZINC000464566533 388101310 /nfs/dbraw/zinc/10/13/10/388101310.db2.gz FOGWBZWPYSGHAJ-UHFFFAOYSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)NCCCC1CCCCC1 ZINC000464569072 388100814 /nfs/dbraw/zinc/10/08/14/388100814.db2.gz MACRCBLQWNZGSI-UHFFFAOYSA-N 0 0 249.398 3.657 20 30 BHEDRN CC#CCCCC(=O)Nc1cccc(C(C)C)c1 ZINC000464572408 388101219 /nfs/dbraw/zinc/10/12/19/388101219.db2.gz REKWORWSZJKXJS-UHFFFAOYSA-N 0 0 243.350 3.942 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(C)Cc1ccccc1C ZINC000464622415 388101324 /nfs/dbraw/zinc/10/13/24/388101324.db2.gz VXNMINDCUWJONU-AWEZNQCLSA-N 0 0 245.366 3.556 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(C)Cc1ccccc1C ZINC000464622416 388101261 /nfs/dbraw/zinc/10/12/61/388101261.db2.gz VXNMINDCUWJONU-CQSZACIVSA-N 0 0 245.366 3.556 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1CC(C)C ZINC000464644305 388101016 /nfs/dbraw/zinc/10/10/16/388101016.db2.gz ACDLOGULTOZHOT-KBPBESRZSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1CC(C)C ZINC000464644306 526695366 /nfs/dbraw/zinc/69/53/66/526695366.db2.gz ACDLOGULTOZHOT-KGLIPLIRSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1CC(C)C ZINC000464644307 526707789 /nfs/dbraw/zinc/70/77/89/526707789.db2.gz ACDLOGULTOZHOT-UONOGXRCSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1CC(C)C ZINC000464644308 526694600 /nfs/dbraw/zinc/69/46/00/526694600.db2.gz ACDLOGULTOZHOT-ZIAGYGMSSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CC[C@@H]1c1ccccc1 ZINC000464647496 388101268 /nfs/dbraw/zinc/10/12/68/388101268.db2.gz BGHQTXKDIMDKSW-DZGCQCFKSA-N 0 0 243.350 3.562 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CC[C@H]1c1ccccc1 ZINC000464647497 388101177 /nfs/dbraw/zinc/10/11/77/388101177.db2.gz BGHQTXKDIMDKSW-HIFRSBDPSA-N 0 0 243.350 3.562 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CC[C@@H]1c1ccccc1 ZINC000464647498 388101132 /nfs/dbraw/zinc/10/11/32/388101132.db2.gz BGHQTXKDIMDKSW-UKRRQHHQSA-N 0 0 243.350 3.562 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CC[C@H]1c1ccccc1 ZINC000464647499 526708649 /nfs/dbraw/zinc/70/86/49/526708649.db2.gz BGHQTXKDIMDKSW-ZFWWWQNUSA-N 0 0 243.350 3.562 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@H]1CC(C)(C)C ZINC000464648682 388101356 /nfs/dbraw/zinc/10/13/56/388101356.db2.gz RXUQCRNUOTYSOK-AWEZNQCLSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@@H]1CC(C)(C)C ZINC000464648683 388101094 /nfs/dbraw/zinc/10/10/94/388101094.db2.gz RXUQCRNUOTYSOK-CQSZACIVSA-N 0 0 249.398 3.607 20 30 BHEDRN C=C(C)CN1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000464772827 388103233 /nfs/dbraw/zinc/10/32/33/388103233.db2.gz GUJJOUGAASWKHC-JTQLQIEISA-N 0 0 237.730 3.503 20 30 BHEDRN C=C(C)CN1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000464772828 388102094 /nfs/dbraw/zinc/10/20/94/388102094.db2.gz GUJJOUGAASWKHC-SNVBAGLBSA-N 0 0 237.730 3.503 20 30 BHEDRN C=CCCN1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000464777027 388103158 /nfs/dbraw/zinc/10/31/58/388103158.db2.gz LTVDQCUQHIRHDL-JTQLQIEISA-N 0 0 237.730 3.503 20 30 BHEDRN C=CCCN1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000464777029 527326961 /nfs/dbraw/zinc/32/69/61/527326961.db2.gz LTVDQCUQHIRHDL-SNVBAGLBSA-N 0 0 237.730 3.503 20 30 BHEDRN C=CCCCOc1ccnc2cc(OC)ccc21 ZINC000465016173 388108267 /nfs/dbraw/zinc/10/82/67/388108267.db2.gz ZYCDIGZXUJPHDT-UHFFFAOYSA-N 0 0 243.306 3.588 20 30 BHEDRN CC[C@@H](C)CSc1ncc(C#N)cc1Cl ZINC000465050380 491103176 /nfs/dbraw/zinc/10/31/76/491103176.db2.gz JLSMDVHIQYOZTG-MRVPVSSYSA-N 0 0 240.759 3.745 20 30 BHEDRN CC[C@H](C)CSc1ncc(C#N)cc1Cl ZINC000465050381 491103175 /nfs/dbraw/zinc/10/31/75/491103175.db2.gz JLSMDVHIQYOZTG-QMMMGPOBSA-N 0 0 240.759 3.745 20 30 BHEDRN C=CCCCC(=O)NCC1(CC(C)C)CCC1 ZINC000465095628 527107256 /nfs/dbraw/zinc/10/72/56/527107256.db2.gz QKKBTZJMQPCKJU-UHFFFAOYSA-N 0 0 237.387 3.675 20 30 BHEDRN C=C[C@H](C)NC(=O)C[C@H](CC)c1ccc(C)cc1 ZINC000465102382 527556741 /nfs/dbraw/zinc/55/67/41/527556741.db2.gz LHYOBDYAWNJRRO-KBPBESRZSA-N 0 0 245.366 3.569 20 30 BHEDRN C=C[C@@H](C)NC(=O)C[C@H](CC)c1ccc(C)cc1 ZINC000465102383 388110303 /nfs/dbraw/zinc/11/03/03/388110303.db2.gz LHYOBDYAWNJRRO-KGLIPLIRSA-N 0 0 245.366 3.569 20 30 BHEDRN C=C[C@H](C)NC(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000465102384 388109803 /nfs/dbraw/zinc/10/98/03/388109803.db2.gz LHYOBDYAWNJRRO-UONOGXRCSA-N 0 0 245.366 3.569 20 30 BHEDRN C=C[C@@H](C)NC(=O)C[C@@H](CC)c1ccc(C)cc1 ZINC000465102385 388109859 /nfs/dbraw/zinc/10/98/59/388109859.db2.gz LHYOBDYAWNJRRO-ZIAGYGMSSA-N 0 0 245.366 3.569 20 30 BHEDRN C=C[C@H](C)NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000465105129 388110330 /nfs/dbraw/zinc/11/03/30/388110330.db2.gz WMUPOHWSXNNPAV-AGIUHOORSA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@H](C)NC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000465105131 388110159 /nfs/dbraw/zinc/11/01/59/388110159.db2.gz WMUPOHWSXNNPAV-AVGNSLFASA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@H](C)NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000465105132 388109768 /nfs/dbraw/zinc/10/97/68/388109768.db2.gz WMUPOHWSXNNPAV-FRRDWIJNSA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@H](C)NC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000465105134 388109872 /nfs/dbraw/zinc/10/98/72/388109872.db2.gz WMUPOHWSXNNPAV-RWMBFGLXSA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@H](C)NC(=O)[C@H](CC(C)C)c1ccccc1 ZINC000465118870 388110719 /nfs/dbraw/zinc/11/07/19/388110719.db2.gz GDXBMNZYVUNOFQ-DZGCQCFKSA-N 0 0 245.366 3.507 20 30 BHEDRN C=C[C@@H](C)NC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC000465118871 388110579 /nfs/dbraw/zinc/11/05/79/388110579.db2.gz GDXBMNZYVUNOFQ-HIFRSBDPSA-N 0 0 245.366 3.507 20 30 BHEDRN C=C[C@@H](C)NC(=O)[C@H](CC(C)C)c1ccccc1 ZINC000465118872 388111122 /nfs/dbraw/zinc/11/11/22/388111122.db2.gz GDXBMNZYVUNOFQ-UKRRQHHQSA-N 0 0 245.366 3.507 20 30 BHEDRN C=C[C@H](C)NC(=O)[C@@H](CC(C)C)c1ccccc1 ZINC000465118873 388110817 /nfs/dbraw/zinc/11/08/17/388110817.db2.gz GDXBMNZYVUNOFQ-ZFWWWQNUSA-N 0 0 245.366 3.507 20 30 BHEDRN C=C[C@H](C)NC(=O)C1CCC(CCCC)CC1 ZINC000465121156 388111109 /nfs/dbraw/zinc/11/11/09/388111109.db2.gz LTHGBQOMIYHZGC-HSBZDZAISA-N 0 0 237.387 3.674 20 30 BHEDRN C=C[C@@H](C)NC(=O)C1CCC(CCCC)CC1 ZINC000465121157 388110572 /nfs/dbraw/zinc/11/05/72/388110572.db2.gz LTHGBQOMIYHZGC-IYXRBSQSSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C[C@H](C)NC(=O)[C@H](CCC)CC1CCCC1 ZINC000465121673 388110753 /nfs/dbraw/zinc/11/07/53/388110753.db2.gz SRRPBKMEIWBWPZ-GXTWGEPZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C[C@H](C)NC(=O)[C@@H](CCC)CC1CCCC1 ZINC000465121674 527566013 /nfs/dbraw/zinc/56/60/13/527566013.db2.gz SRRPBKMEIWBWPZ-JSGCOSHPSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C[C@@H](C)NC(=O)[C@@H](CCC)CC1CCCC1 ZINC000465121675 388111147 /nfs/dbraw/zinc/11/11/47/388111147.db2.gz SRRPBKMEIWBWPZ-OCCSQVGLSA-N 0 0 237.387 3.674 20 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C=C[C@H](C)NC(=O)Nc1cccc(C(C)C)c1 ZINC000465178754 388111725 /nfs/dbraw/zinc/11/17/25/388111725.db2.gz VDTJDUFYZNJFJQ-NSHDSACASA-N 0 0 232.327 3.506 20 30 BHEDRN C=C[C@@H](C)NC(=O)Nc1cc(CC)ccc1CC ZINC000465237793 388111470 /nfs/dbraw/zinc/11/14/70/388111470.db2.gz ZJYSGSDKLWENOW-LLVKDONJSA-N 0 0 246.354 3.507 20 30 BHEDRN C=C[C@H](C)NC(=O)Nc1cc(CC)ccc1CC ZINC000465237795 388111586 /nfs/dbraw/zinc/11/15/86/388111586.db2.gz ZJYSGSDKLWENOW-NSHDSACASA-N 0 0 246.354 3.507 20 30 BHEDRN CC#CCCCC(=O)Nc1ccc(C)c(CC)c1 ZINC000466239578 398018128 /nfs/dbraw/zinc/01/81/28/398018128.db2.gz DMLNMFPWKVFATR-UHFFFAOYSA-N 0 0 243.350 3.690 20 30 BHEDRN C=CCCCCCN(C)C(=O)[C@@H]1C[C@@]1(C)CC ZINC000466243876 398018707 /nfs/dbraw/zinc/01/87/07/398018707.db2.gz GVULKLSIPUJGOG-DZGCQCFKSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CCCCCCN(C)C(=O)[C@H]1C[C@]1(C)CC ZINC000466243878 398018899 /nfs/dbraw/zinc/01/88/99/398018899.db2.gz GVULKLSIPUJGOG-HIFRSBDPSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CCCCCCN(C)C(=O)[C@H]1C[C@@]1(C)CC ZINC000466243880 398018924 /nfs/dbraw/zinc/01/89/24/398018924.db2.gz GVULKLSIPUJGOG-UKRRQHHQSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CCCCCCN(C)C(=O)[C@@H]1C[C@]1(C)CC ZINC000466243882 527126347 /nfs/dbraw/zinc/12/63/47/527126347.db2.gz GVULKLSIPUJGOG-ZFWWWQNUSA-N 0 0 237.387 3.627 20 30 BHEDRN CC#CCCCC(=O)Nc1ccc(CC)c(F)c1 ZINC000466246161 526303819 /nfs/dbraw/zinc/30/38/19/526303819.db2.gz JXQFRVVFGGSOOD-UHFFFAOYSA-N 0 0 247.313 3.520 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc(CC)c(F)c1 ZINC000466251097 398018716 /nfs/dbraw/zinc/01/87/16/398018716.db2.gz OEOGOHUMMWAOPS-LLVKDONJSA-N 0 0 249.329 3.929 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc(CC)c(F)c1 ZINC000466251098 398018740 /nfs/dbraw/zinc/01/87/40/398018740.db2.gz OEOGOHUMMWAOPS-NSHDSACASA-N 0 0 249.329 3.929 20 30 BHEDRN CC#CCCCC(=O)Nc1ccc(CC)c(C)c1 ZINC000466258816 398018902 /nfs/dbraw/zinc/01/89/02/398018902.db2.gz LECCPNPYLVAHTK-UHFFFAOYSA-N 0 0 243.350 3.690 20 30 BHEDRN CC#CCCCC(=O)NCC1(C)CCCCCC1 ZINC000466265447 398018847 /nfs/dbraw/zinc/01/88/47/398018847.db2.gz RZCMHLPFKJJJLO-UHFFFAOYSA-N 0 0 249.398 3.657 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000466304890 388117264 /nfs/dbraw/zinc/11/72/64/388117264.db2.gz CHDHIMWRUJBRSJ-RFQIPJPRSA-N 0 0 237.387 3.530 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000466304891 388117386 /nfs/dbraw/zinc/11/73/86/388117386.db2.gz CHDHIMWRUJBRSJ-XDQVBPFNSA-N 0 0 237.387 3.530 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000466304892 388117290 /nfs/dbraw/zinc/11/72/90/388117290.db2.gz CHDHIMWRUJBRSJ-YIYPIFLZSA-N 0 0 237.387 3.530 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000466304893 388117070 /nfs/dbraw/zinc/11/70/70/388117070.db2.gz CHDHIMWRUJBRSJ-ZOBORPQBSA-N 0 0 237.387 3.530 20 30 BHEDRN CC#CCCCC(=O)NCC1(CC)CCCCC1 ZINC000466317100 526295930 /nfs/dbraw/zinc/29/59/30/526295930.db2.gz JDGWGXNOKOXMGX-UHFFFAOYSA-N 0 0 249.398 3.657 20 30 BHEDRN C=C(C)COc1ccccc1OC(F)(F)F ZINC000466373846 388117073 /nfs/dbraw/zinc/11/70/73/388117073.db2.gz NZPRVZTWDXJOON-UHFFFAOYSA-N 0 0 232.201 3.540 20 30 BHEDRN C=CCCN(C)c1ncc(-c2ccccc2)s1 ZINC000466377581 388117279 /nfs/dbraw/zinc/11/72/79/388117279.db2.gz FUZJNWRQTLEARH-UHFFFAOYSA-N 0 0 244.363 3.822 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)NC(CC)(CC)CC ZINC000466388390 388117924 /nfs/dbraw/zinc/11/79/24/388117924.db2.gz NIOVNVNEILDFBS-GFCCVEGCSA-N 0 0 240.391 3.609 20 30 BHEDRN C=CC[C@H](CC)NC(=O)NC(CC)(CC)CC ZINC000466388391 527151356 /nfs/dbraw/zinc/15/13/56/527151356.db2.gz NIOVNVNEILDFBS-LBPRGKRZSA-N 0 0 240.391 3.609 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)Nc1cccc(CC)c1 ZINC000466397551 527048481 /nfs/dbraw/zinc/04/84/81/527048481.db2.gz FWLLXBBHOFFOJN-CYBMUJFWSA-N 0 0 246.354 3.725 20 30 BHEDRN C=CC[C@H](CC)NC(=O)Nc1cccc(CC)c1 ZINC000466397758 388117838 /nfs/dbraw/zinc/11/78/38/388117838.db2.gz FWLLXBBHOFFOJN-ZDUSSCGKSA-N 0 0 246.354 3.725 20 30 BHEDRN C=CCCN(C)c1nc(-c2ccccc2)cs1 ZINC000466401277 388118035 /nfs/dbraw/zinc/11/80/35/388118035.db2.gz ZGIRONGDIMIAMV-UHFFFAOYSA-N 0 0 244.363 3.822 20 30 BHEDRN C=CCCCC(=O)N1CC(C)(C)CC(C)(C)C1 ZINC000466402573 388117781 /nfs/dbraw/zinc/11/77/81/388117781.db2.gz YBCDMKAZZDBEKI-UHFFFAOYSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)Nc1ccccc1CC ZINC000466409790 527048584 /nfs/dbraw/zinc/04/85/84/527048584.db2.gz OEPGNXDDAWTMPH-CYBMUJFWSA-N 0 0 246.354 3.725 20 30 BHEDRN C=CC[C@H](CC)NC(=O)Nc1ccccc1CC ZINC000466409791 388118462 /nfs/dbraw/zinc/11/84/62/388118462.db2.gz OEPGNXDDAWTMPH-ZDUSSCGKSA-N 0 0 246.354 3.725 20 30 BHEDRN C=CCN(C(=O)[C@H]1C[C@@]1(C)CC)c1ccccc1 ZINC000466411942 388118564 /nfs/dbraw/zinc/11/85/64/388118564.db2.gz IUWBZGQOEQGJQG-GDBMZVCRSA-N 0 0 243.350 3.642 20 30 BHEDRN C=CCN(C(=O)[C@@H]1C[C@@]1(C)CC)c1ccccc1 ZINC000466411943 527544655 /nfs/dbraw/zinc/54/46/55/527544655.db2.gz IUWBZGQOEQGJQG-GOEBONIOSA-N 0 0 243.350 3.642 20 30 BHEDRN C=CCN(C(=O)[C@@H]1C[C@]1(C)CC)c1ccccc1 ZINC000466411944 388118581 /nfs/dbraw/zinc/11/85/81/388118581.db2.gz IUWBZGQOEQGJQG-HOCLYGCPSA-N 0 0 243.350 3.642 20 30 BHEDRN C=CCN(C(=O)[C@H]1C[C@]1(C)CC)c1ccccc1 ZINC000466411945 388118529 /nfs/dbraw/zinc/11/85/29/388118529.db2.gz IUWBZGQOEQGJQG-ZBFHGGJFSA-N 0 0 243.350 3.642 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@@H](CC)C(C)(C)C ZINC000466416287 388118374 /nfs/dbraw/zinc/11/83/74/388118374.db2.gz KMEXNRDNOAKMDZ-NEPJUHHUSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@H](CC)C(C)(C)C ZINC000466416288 388118306 /nfs/dbraw/zinc/11/83/06/388118306.db2.gz KMEXNRDNOAKMDZ-NWDGAFQWSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H](CC)C(C)(C)C ZINC000466416289 388118558 /nfs/dbraw/zinc/11/85/58/388118558.db2.gz KMEXNRDNOAKMDZ-RYUDHWBXSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@H](CC)C(C)(C)C ZINC000466416290 388118621 /nfs/dbraw/zinc/11/86/21/388118621.db2.gz KMEXNRDNOAKMDZ-VXGBXAGGSA-N 0 0 225.376 3.530 20 30 BHEDRN CC#CCCCC(=O)N1CCCC[C@H]1[C@H](C)CC ZINC000466418109 388118512 /nfs/dbraw/zinc/11/85/12/388118512.db2.gz VSCQRYBINURDGP-CABCVRRESA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCCC[C@H]1[C@@H](C)CC ZINC000466418110 388118713 /nfs/dbraw/zinc/11/87/13/388118713.db2.gz VSCQRYBINURDGP-GJZGRUSLSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCCC[C@@H]1[C@H](C)CC ZINC000466418111 388118522 /nfs/dbraw/zinc/11/85/22/388118522.db2.gz VSCQRYBINURDGP-HUUCEWRRSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N1CCCC[C@@H]1[C@@H](C)CC ZINC000466418112 526291536 /nfs/dbraw/zinc/29/15/36/526291536.db2.gz VSCQRYBINURDGP-LSDHHAIUSA-N 0 0 249.398 3.607 20 30 BHEDRN CC#CCCCC(=O)N[C@H]1CCCC[C@@H]1C(C)C ZINC000466425654 388118226 /nfs/dbraw/zinc/11/82/26/388118226.db2.gz OQWNGGWUJFKONA-CABCVRRESA-N 0 0 249.398 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@H]1CCCC[C@H]1C(C)C ZINC000466425655 388118455 /nfs/dbraw/zinc/11/84/55/388118455.db2.gz OQWNGGWUJFKONA-GJZGRUSLSA-N 0 0 249.398 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@@H]1CCCC[C@@H]1C(C)C ZINC000466425656 388118576 /nfs/dbraw/zinc/11/85/76/388118576.db2.gz OQWNGGWUJFKONA-HUUCEWRRSA-N 0 0 249.398 3.511 20 30 BHEDRN CC#CCCCC(=O)N[C@@H]1CCCC[C@H]1C(C)C ZINC000466425657 388118708 /nfs/dbraw/zinc/11/87/08/388118708.db2.gz OQWNGGWUJFKONA-LSDHHAIUSA-N 0 0 249.398 3.511 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@@H]1CCCCC ZINC000466429380 388118418 /nfs/dbraw/zinc/11/84/18/388118418.db2.gz XVUURWZNWOARFF-HNNXBMFYSA-N 0 0 249.398 3.751 20 30 BHEDRN CC#CCCCC(=O)N1CCC[C@H]1CCCCC ZINC000466429381 388118596 /nfs/dbraw/zinc/11/85/96/388118596.db2.gz XVUURWZNWOARFF-OAHLLOKOSA-N 0 0 249.398 3.751 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000466429921 388118555 /nfs/dbraw/zinc/11/85/55/388118555.db2.gz BFHXNNZUKFXUBB-CHWSQXEVSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC[C@H]1C(C)(C)C ZINC000466429922 388118567 /nfs/dbraw/zinc/11/85/67/388118567.db2.gz BFHXNNZUKFXUBB-OLZOCXBDSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@@H]1C(C)(C)C ZINC000466429923 388118543 /nfs/dbraw/zinc/11/85/43/388118543.db2.gz BFHXNNZUKFXUBB-QWHCGFSZSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC[C@H]1C(C)(C)C ZINC000466429924 388118309 /nfs/dbraw/zinc/11/83/09/388118309.db2.gz BFHXNNZUKFXUBB-STQMWFEESA-N 0 0 237.387 3.626 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCC(CC)(CC)CC ZINC000466435749 388118334 /nfs/dbraw/zinc/11/83/34/388118334.db2.gz XZZCCODHKJMIFP-CYBMUJFWSA-N 0 0 239.403 3.921 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCC(CC)(CC)CC ZINC000466435750 388118741 /nfs/dbraw/zinc/11/87/41/388118741.db2.gz XZZCCODHKJMIFP-ZDUSSCGKSA-N 0 0 239.403 3.921 20 30 BHEDRN C=CCCCCCN(C)C(=O)[C@@H](C)CC(=C)C ZINC000466435987 388118630 /nfs/dbraw/zinc/11/86/30/388118630.db2.gz BSILGZGRFBZCFE-AWEZNQCLSA-N 0 0 237.387 3.794 20 30 BHEDRN C=CCCCCCN(C)C(=O)[C@H](C)CC(=C)C ZINC000466435988 388118573 /nfs/dbraw/zinc/11/85/73/388118573.db2.gz BSILGZGRFBZCFE-CQSZACIVSA-N 0 0 237.387 3.794 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1CCC(CC)(CC)C1 ZINC000466436704 388118551 /nfs/dbraw/zinc/11/85/51/388118551.db2.gz PHPDSMNVCCKMBF-CYBMUJFWSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC(CC)(CC)C1 ZINC000466436705 526706424 /nfs/dbraw/zinc/70/64/24/526706424.db2.gz PHPDSMNVCCKMBF-ZDUSSCGKSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCC(C)(C)CC(C)C ZINC000466437879 388118415 /nfs/dbraw/zinc/11/84/15/388118415.db2.gz GMTOAEOBQBACQR-CYBMUJFWSA-N 0 0 239.403 3.777 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCC(C)(C)CC(C)C ZINC000466437880 388118660 /nfs/dbraw/zinc/11/86/60/388118660.db2.gz GMTOAEOBQBACQR-ZDUSSCGKSA-N 0 0 239.403 3.777 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCCCCC(C)(C)C ZINC000466437908 388118570 /nfs/dbraw/zinc/11/85/70/388118570.db2.gz GYSCNMYGUNNWJZ-CYBMUJFWSA-N 0 0 239.403 3.921 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCCCCC(C)(C)C ZINC000466437909 388118254 /nfs/dbraw/zinc/11/82/54/388118254.db2.gz GYSCNMYGUNNWJZ-ZDUSSCGKSA-N 0 0 239.403 3.921 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(CCC)C(C)(C)C ZINC000466438417 388118352 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ZINC000466443088 388118257 /nfs/dbraw/zinc/11/82/57/388118257.db2.gz AYLQAGQTFIDPQM-CABCVRRESA-N 0 0 249.398 3.513 20 30 BHEDRN CC#CCCCC(=O)NCC[C@@H]1CCCC[C@@H]1C ZINC000466443089 388118678 /nfs/dbraw/zinc/11/86/78/388118678.db2.gz AYLQAGQTFIDPQM-GJZGRUSLSA-N 0 0 249.398 3.513 20 30 BHEDRN CC#CCCCC(=O)NCC[C@H]1CCCC[C@H]1C ZINC000466443090 388118382 /nfs/dbraw/zinc/11/83/82/388118382.db2.gz AYLQAGQTFIDPQM-HUUCEWRRSA-N 0 0 249.398 3.513 20 30 BHEDRN CC#CCCCC(=O)NCC[C@H]1CCCC[C@@H]1C ZINC000466443091 388118565 /nfs/dbraw/zinc/11/85/65/388118565.db2.gz AYLQAGQTFIDPQM-LSDHHAIUSA-N 0 0 249.398 3.513 20 30 BHEDRN CC/C=C\CCOc1cc(C#N)ccc1C ZINC000466500035 388745650 /nfs/dbraw/zinc/74/56/50/388745650.db2.gz SAYYWJIPZSBPCX-PLNGDYQASA-N 0 0 215.296 3.602 20 30 BHEDRN CC/C=C/CCOc1cc(C#N)ccc1C ZINC000466500036 388745895 /nfs/dbraw/zinc/74/58/95/388745895.db2.gz SAYYWJIPZSBPCX-SNAWJCMRSA-N 0 0 215.296 3.602 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)C1(CC)CCCCC1 ZINC000466528053 527037037 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MBYRRJSVOGGWBJ-BYNSBNAKSA-N 0 0 249.398 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1 ZINC000466641374 388120814 /nfs/dbraw/zinc/12/08/14/388120814.db2.gz MBYRRJSVOGGWBJ-GBJTYRQASA-N 0 0 249.398 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000466641376 388120800 /nfs/dbraw/zinc/12/08/00/388120800.db2.gz MBYRRJSVOGGWBJ-LJISPDSOSA-N 0 0 249.398 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1 ZINC000466641378 526712668 /nfs/dbraw/zinc/71/26/68/526712668.db2.gz MBYRRJSVOGGWBJ-ZQDZILKHSA-N 0 0 249.398 3.674 20 30 BHEDRN C=CCCN(C)C(=O)C[C@H](CC)CCCC ZINC000466643452 527308006 /nfs/dbraw/zinc/30/80/06/527308006.db2.gz UYQVNYSDKIMDDN-CYBMUJFWSA-N 0 0 225.376 3.627 20 30 BHEDRN C=CCCN(C)C(=O)C[C@@H](CC)CCCC ZINC000466643453 388120298 /nfs/dbraw/zinc/12/02/98/388120298.db2.gz UYQVNYSDKIMDDN-ZDUSSCGKSA-N 0 0 225.376 3.627 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1CCC2(CCCC2)CC1 ZINC000466643938 388120450 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ZINC000467903347 526712952 /nfs/dbraw/zinc/71/29/52/526712952.db2.gz DJYMYNCJMSVARK-QWHCGFSZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000467903348 526713520 /nfs/dbraw/zinc/71/35/20/526713520.db2.gz DJYMYNCJMSVARK-STQMWFEESA-N 0 0 237.387 3.674 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1ccc2ccoc2c1 ZINC000467906921 526702959 /nfs/dbraw/zinc/70/29/59/526702959.db2.gz XKMSVTXQWIAYJH-LLVKDONJSA-N 0 0 243.306 3.974 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1ccc2ccoc2c1 ZINC000467906922 526714885 /nfs/dbraw/zinc/71/48/85/526714885.db2.gz XKMSVTXQWIAYJH-NSHDSACASA-N 0 0 243.306 3.974 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000467919998 527612119 /nfs/dbraw/zinc/61/21/19/527612119.db2.gz QVISJXORYPSAMO-KYEXWDHISA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000467919999 527612016 /nfs/dbraw/zinc/61/20/16/527612016.db2.gz QVISJXORYPSAMO-QVHKTLOISA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000467920000 527612319 /nfs/dbraw/zinc/61/23/19/527612319.db2.gz QVISJXORYPSAMO-RGCMKSIDSA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000467920002 527612176 /nfs/dbraw/zinc/61/21/76/527612176.db2.gz QVISJXORYPSAMO-RMRHIDDWSA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)NCCC1=CCCCCC1 ZINC000467923185 527521428 /nfs/dbraw/zinc/52/14/28/527521428.db2.gz QCTJBAWJUZFUEV-INIZCTEOSA-N 0 0 249.398 3.986 20 30 BHEDRN C=C[C@](C)(CC)C(=O)NCCC1=CCCCCC1 ZINC000467923186 527609478 /nfs/dbraw/zinc/60/94/78/527609478.db2.gz QCTJBAWJUZFUEV-MRXNPFEDSA-N 0 0 249.398 3.986 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N(C)c1cc(C)cc(C)c1 ZINC000467925786 527518709 /nfs/dbraw/zinc/51/87/09/527518709.db2.gz FLHBWTYBYANUNG-INIZCTEOSA-N 0 0 245.366 3.869 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N(C)c1cc(C)cc(C)c1 ZINC000467925788 527607295 /nfs/dbraw/zinc/60/72/95/527607295.db2.gz FLHBWTYBYANUNG-MRXNPFEDSA-N 0 0 245.366 3.869 20 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C=C[C@](C)(CC)C(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000467998073 527609329 /nfs/dbraw/zinc/60/93/29/527609329.db2.gz JQWCTSRNNZTLRJ-SLEUVZQESA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000467998074 527613490 /nfs/dbraw/zinc/61/34/90/527613490.db2.gz JQWCTSRNNZTLRJ-UKTARXLSSA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@H](C)CCC(C)(C)C ZINC000468000354 527524466 /nfs/dbraw/zinc/52/44/66/527524466.db2.gz NJVDPGNYNVRWOS-DOMZBBRYSA-N 0 0 239.403 3.920 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H](C)CCC(C)(C)C ZINC000468000355 527611756 /nfs/dbraw/zinc/61/17/56/527611756.db2.gz NJVDPGNYNVRWOS-IUODEOHRSA-N 0 0 239.403 3.920 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000468000356 527612426 /nfs/dbraw/zinc/61/24/26/527612426.db2.gz NJVDPGNYNVRWOS-SWLSCSKDSA-N 0 0 239.403 3.920 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@@H](C)CCC(C)(C)C ZINC000468000357 527522772 /nfs/dbraw/zinc/52/27/72/527522772.db2.gz NJVDPGNYNVRWOS-WFASDCNBSA-N 0 0 239.403 3.920 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@@H]1C1CCCCC1 ZINC000468003591 527612435 /nfs/dbraw/zinc/61/24/35/527612435.db2.gz JEFYYXWJGJREGF-IIAWOOMASA-N 0 0 249.398 3.674 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000468003592 527613640 /nfs/dbraw/zinc/61/36/40/527613640.db2.gz JEFYYXWJGJREGF-IJEWVQPXSA-N 0 0 249.398 3.674 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H]1C[C@H]1C1CCCCC1 ZINC000468003593 527613202 /nfs/dbraw/zinc/61/32/02/527613202.db2.gz JEFYYXWJGJREGF-OFQRWUPVSA-N 0 0 249.398 3.674 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000468003594 527611992 /nfs/dbraw/zinc/61/19/92/527611992.db2.gz JEFYYXWJGJREGF-SQWLQELKSA-N 0 0 249.398 3.674 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H](C)C[C@H]1C ZINC000468008378 527612479 /nfs/dbraw/zinc/61/24/79/527612479.db2.gz ZYUJMKUUYDOJCV-KYEXWDHISA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H](C)C[C@@H]1C ZINC000468008379 527611922 /nfs/dbraw/zinc/61/19/22/527611922.db2.gz ZYUJMKUUYDOJCV-QVHKTLOISA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H](C)C[C@H]1C ZINC000468008380 527612347 /nfs/dbraw/zinc/61/23/47/527612347.db2.gz ZYUJMKUUYDOJCV-RGCMKSIDSA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H](C)C[C@@H]1C ZINC000468008381 527612079 /nfs/dbraw/zinc/61/20/79/527612079.db2.gz ZYUJMKUUYDOJCV-RMRHIDDWSA-N 0 0 237.387 3.530 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)NCCCCC(C)(C)C ZINC000468008990 527521479 /nfs/dbraw/zinc/52/14/79/527521479.db2.gz HIMYFHCNAOMHGV-HNNXBMFYSA-N 0 0 239.403 3.921 20 30 BHEDRN C=C[C@](C)(CC)C(=O)NCCCCC(C)(C)C ZINC000468008991 527609031 /nfs/dbraw/zinc/60/90/31/527609031.db2.gz HIMYFHCNAOMHGV-OAHLLOKOSA-N 0 0 239.403 3.921 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1 ZINC000468010813 527611936 /nfs/dbraw/zinc/61/19/36/527611936.db2.gz BVOFTVDRZGEPJK-DSJMHWKBSA-N 0 0 249.398 3.674 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000468010814 527612032 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0 0 226.323 3.549 20 30 BHEDRN CC(C)[C@H]1CCC[C@@H]1Nc1ccc(CC#N)cc1 ZINC000468476529 527790034 /nfs/dbraw/zinc/79/00/34/527790034.db2.gz SZDCJBALRXEMNE-CVEARBPZSA-N 0 0 242.366 3.989 20 30 BHEDRN CC(C)[C@@H]1CCC[C@@H]1Nc1ccc(CC#N)cc1 ZINC000468476530 528682924 /nfs/dbraw/zinc/68/29/24/528682924.db2.gz SZDCJBALRXEMNE-HOTGVXAUSA-N 0 0 242.366 3.989 20 30 BHEDRN CC(C)[C@H]1CCC[C@H]1Nc1ccc(CC#N)cc1 ZINC000468476531 527792906 /nfs/dbraw/zinc/79/29/06/527792906.db2.gz SZDCJBALRXEMNE-HZPDHXFCSA-N 0 0 242.366 3.989 20 30 BHEDRN CC(C)[C@@H]1CCC[C@H]1Nc1ccc(CC#N)cc1 ZINC000468476532 528692465 /nfs/dbraw/zinc/69/24/65/528692465.db2.gz SZDCJBALRXEMNE-JKSUJKDBSA-N 0 0 242.366 3.989 20 30 BHEDRN N#CCc1ccc(N[C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000468476681 225027071 /nfs/dbraw/zinc/02/70/71/225027071.db2.gz WRKGBXLCTIPGII-CVEARBPZSA-N 0 0 240.350 3.743 20 30 BHEDRN N#CCc1ccc(N[C@H]2CCC[C@H]2C2CC2)cc1 ZINC000468476690 225027199 /nfs/dbraw/zinc/02/71/99/225027199.db2.gz WRKGBXLCTIPGII-HOTGVXAUSA-N 0 0 240.350 3.743 20 30 BHEDRN N#CCc1ccc(N[C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000468476691 225026661 /nfs/dbraw/zinc/02/66/61/225026661.db2.gz WRKGBXLCTIPGII-HZPDHXFCSA-N 0 0 240.350 3.743 20 30 BHEDRN N#CCc1ccc(N[C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000468476693 225027289 /nfs/dbraw/zinc/02/72/89/225027289.db2.gz WRKGBXLCTIPGII-JKSUJKDBSA-N 0 0 240.350 3.743 20 30 BHEDRN C[C@@H](c1ccccc1)N(CC#N)c1ccccc1 ZINC000468504243 534102329 /nfs/dbraw/zinc/10/23/29/534102329.db2.gz IQRPWTDUIAPJLW-AWEZNQCLSA-N 0 0 236.318 3.778 20 30 BHEDRN C[C@H](c1ccccc1)N(CC#N)c1ccccc1 ZINC000468504244 225026683 /nfs/dbraw/zinc/02/66/83/225026683.db2.gz IQRPWTDUIAPJLW-CQSZACIVSA-N 0 0 236.318 3.778 20 30 BHEDRN C=CCc1ccccc1OCCC(C)(C)OC ZINC000468511728 527261101 /nfs/dbraw/zinc/26/11/01/527261101.db2.gz OJOOMFJPAVNZEG-UHFFFAOYSA-N 0 0 234.339 3.609 20 30 BHEDRN CCOc1ccc(C#N)cc1N[C@H](C)CC1CC1 ZINC000468513785 528382119 /nfs/dbraw/zinc/38/21/19/528382119.db2.gz FWQRDBFUJQKJMN-LLVKDONJSA-N 0 0 244.338 3.557 20 30 BHEDRN CCOc1ccc(C#N)cc1N[C@@H](C)CC1CC1 ZINC000468513786 528382623 /nfs/dbraw/zinc/38/26/23/528382623.db2.gz FWQRDBFUJQKJMN-NSHDSACASA-N 0 0 244.338 3.557 20 30 BHEDRN COc1ccc(C#N)cc1N[C@@H]1CCC(C)(C)C1 ZINC000468513787 533272971 /nfs/dbraw/zinc/27/29/71/533272971.db2.gz FWWKZTZDODJLQB-GFCCVEGCSA-N 0 0 244.338 3.557 20 30 BHEDRN COc1ccc(C#N)cc1N[C@H]1CCC(C)(C)C1 ZINC000468513788 533273458 /nfs/dbraw/zinc/27/34/58/533273458.db2.gz FWWKZTZDODJLQB-LBPRGKRZSA-N 0 0 244.338 3.557 20 30 BHEDRN CCCC[C@@H](C)Nc1cc(C#N)ccc1OC ZINC000468515371 528764491 /nfs/dbraw/zinc/76/44/91/528764491.db2.gz LYCPOQXKWLYHGT-LLVKDONJSA-N 0 0 232.327 3.557 20 30 BHEDRN CCCC[C@H](C)Nc1cc(C#N)ccc1OC ZINC000468515378 528895008 /nfs/dbraw/zinc/89/50/08/528895008.db2.gz LYCPOQXKWLYHGT-NSHDSACASA-N 0 0 232.327 3.557 20 30 BHEDRN C=CCCCSc1cccc(C#N)c1 ZINC000468633203 527249984 /nfs/dbraw/zinc/24/99/84/527249984.db2.gz WWRXFBZKVJQQCU-UHFFFAOYSA-N 0 0 203.310 3.617 20 30 BHEDRN CCC[C@H](C)Sc1cccc(C#N)c1 ZINC000468648283 528068182 /nfs/dbraw/zinc/06/81/82/528068182.db2.gz OKZYBZSFTNZMOM-JTQLQIEISA-N 0 0 205.326 3.839 20 30 BHEDRN CCC[C@@H](C)Sc1cccc(C#N)c1 ZINC000468648284 528900030 /nfs/dbraw/zinc/90/00/30/528900030.db2.gz OKZYBZSFTNZMOM-SNVBAGLBSA-N 0 0 205.326 3.839 20 30 BHEDRN CCc1cccc(CSCC2(C#N)CC2)c1 ZINC000468648597 529170155 /nfs/dbraw/zinc/17/01/55/529170155.db2.gz LSQXMRBBVLEWSE-UHFFFAOYSA-N 0 0 231.364 3.786 20 30 BHEDRN N#Cc1cccc(S[C@@H]2C=CCCC2)c1 ZINC000468652113 225030066 /nfs/dbraw/zinc/03/00/66/225030066.db2.gz GFNSLDXEPFHIER-GFCCVEGCSA-N 0 0 215.321 3.759 20 30 BHEDRN N#Cc1cccc(S[C@H]2C=CCCC2)c1 ZINC000468652114 225030561 /nfs/dbraw/zinc/03/05/61/225030561.db2.gz GFNSLDXEPFHIER-LBPRGKRZSA-N 0 0 215.321 3.759 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000468918892 526701357 /nfs/dbraw/zinc/70/13/57/526701357.db2.gz HHESJNBJLRIJNG-VHDGCEQUSA-N 0 0 249.398 3.674 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@@H]1C[C@H]1C1CCCCC1 ZINC000468934855 527523519 /nfs/dbraw/zinc/52/35/19/527523519.db2.gz JEFYYXWJGJREGF-LZWOXQAQSA-N 0 0 249.398 3.674 20 30 BHEDRN CCc1cccc(CNc2cccc(C#N)c2)c1 ZINC000469079899 529170628 /nfs/dbraw/zinc/17/06/28/529170628.db2.gz PNXPCSRLADFEHA-UHFFFAOYSA-N 0 0 236.318 3.733 20 30 BHEDRN C=CCCCSCc1cc(F)ccc1C#N ZINC000469173193 527247545 /nfs/dbraw/zinc/24/75/45/527247545.db2.gz YWQMAHFREIDTIS-UHFFFAOYSA-N 0 0 235.327 3.897 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@@H]1CCCCC1(C)C ZINC000469269480 527602845 /nfs/dbraw/zinc/60/28/45/527602845.db2.gz VPLUYDJWZZUKAQ-KBPBESRZSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCC1(C)C ZINC000469269497 527454365 /nfs/dbraw/zinc/45/43/65/527454365.db2.gz VPLUYDJWZZUKAQ-KGLIPLIRSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@H]1CCCCC1(C)C ZINC000469269507 527603562 /nfs/dbraw/zinc/60/35/62/527603562.db2.gz VPLUYDJWZZUKAQ-UONOGXRCSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCCC1(C)C ZINC000469269520 527454158 /nfs/dbraw/zinc/45/41/58/527454158.db2.gz VPLUYDJWZZUKAQ-ZIAGYGMSSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CCCCCNC(=O)[C@H]1CCCCC1(C)C ZINC000469319227 527165862 /nfs/dbraw/zinc/16/58/62/527165862.db2.gz PPKRXAYGMABEQB-CYBMUJFWSA-N 0 0 237.387 3.675 20 30 BHEDRN C=CCCCCNC(=O)[C@@H]1CCCCC1(C)C ZINC000469319238 527163345 /nfs/dbraw/zinc/16/33/45/527163345.db2.gz PPKRXAYGMABEQB-ZDUSSCGKSA-N 0 0 237.387 3.675 20 30 BHEDRN CCc1cccc(CNc2ccc(C#N)cc2)c1 ZINC000469342815 529170033 /nfs/dbraw/zinc/17/00/33/529170033.db2.gz WAALPTVODOXZCR-UHFFFAOYSA-N 0 0 236.318 3.733 20 30 BHEDRN C=CCN(CC1CCCCC1)C(=O)CC1(C)CC1 ZINC000469410033 527595262 /nfs/dbraw/zinc/59/52/62/527595262.db2.gz MFWONYCMUIPILV-UHFFFAOYSA-N 0 0 249.398 3.772 20 30 BHEDRN C=CCCCN(C)C(=O)CC(C)(C)CCC ZINC000469461017 527181585 /nfs/dbraw/zinc/18/15/85/527181585.db2.gz OMAABJJNMRLJFW-UHFFFAOYSA-N 0 0 225.376 3.627 20 30 BHEDRN C=CCCC(=O)N[C@H]1CCC[C@H](C(C)C)CC1 ZINC000469751696 527077736 /nfs/dbraw/zinc/07/77/36/527077736.db2.gz KCSYYHTUZTYPRE-KBPBESRZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(=O)N[C@H]1CCC[C@@H](C(C)C)CC1 ZINC000469751697 527077342 /nfs/dbraw/zinc/07/73/42/527077342.db2.gz KCSYYHTUZTYPRE-KGLIPLIRSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(=O)N[C@@H]1CCC[C@H](C(C)C)CC1 ZINC000469751698 527076698 /nfs/dbraw/zinc/07/66/98/527076698.db2.gz KCSYYHTUZTYPRE-UONOGXRCSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(=O)N[C@@H]1CCC[C@@H](C(C)C)CC1 ZINC000469751699 527076959 /nfs/dbraw/zinc/07/69/59/527076959.db2.gz KCSYYHTUZTYPRE-ZIAGYGMSSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCCCNC(=O)CC(C)(C)CCC ZINC000469792095 527145055 /nfs/dbraw/zinc/14/50/55/527145055.db2.gz SKDOTRQMAYOHRS-UHFFFAOYSA-N 0 0 225.376 3.675 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)NCC(C(C)C)C(C)C ZINC000469811004 527522003 /nfs/dbraw/zinc/52/20/03/527522003.db2.gz OKEXBZSOAIQCJG-HNNXBMFYSA-N 0 0 239.403 3.633 20 30 BHEDRN C=C[C@](C)(CC)C(=O)NCC(C(C)C)C(C)C ZINC000469811005 527609582 /nfs/dbraw/zinc/60/95/82/527609582.db2.gz OKEXBZSOAIQCJG-OAHLLOKOSA-N 0 0 239.403 3.633 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCC(C(C)C)C(C)C ZINC000469813948 526698580 /nfs/dbraw/zinc/69/85/80/526698580.db2.gz MAJIDFZHYAACAJ-CYBMUJFWSA-N 0 0 239.403 3.633 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCC(C(C)C)C(C)C ZINC000469813949 526711206 /nfs/dbraw/zinc/71/12/06/526711206.db2.gz MAJIDFZHYAACAJ-ZDUSSCGKSA-N 0 0 239.403 3.633 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C[C@H]1CCC[C@H]1C ZINC000469815454 527284547 /nfs/dbraw/zinc/28/45/47/527284547.db2.gz FGFJXZZZVMZZAR-HZSPNIEDSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000469815455 527284522 /nfs/dbraw/zinc/28/45/22/527284522.db2.gz FGFJXZZZVMZZAR-IHRRRGAJSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C[C@H]1CCC[C@@H]1C ZINC000469815456 527285013 /nfs/dbraw/zinc/28/50/13/527285013.db2.gz FGFJXZZZVMZZAR-MELADBBJSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C[C@@H]1CCC[C@H]1C ZINC000469815457 527284642 /nfs/dbraw/zinc/28/46/42/527284642.db2.gz FGFJXZZZVMZZAR-RDBSUJKOSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCCC(=O)N(C)Cc1cc(C)ccc1C ZINC000469859878 527100561 /nfs/dbraw/zinc/10/05/61/527100561.db2.gz CQRAHYJGDQWMDB-UHFFFAOYSA-N 0 0 245.366 3.618 20 30 BHEDRN CCCN(CC#N)CCc1ccc(C(C)C)cc1 ZINC000469894073 527879714 /nfs/dbraw/zinc/87/97/14/527879714.db2.gz TXPOAVOPOIOQTK-UHFFFAOYSA-N 0 0 244.382 3.588 20 30 BHEDRN CCC[C@H]1CCc2ccccc2N1CCCC#N ZINC000470018604 528385088 /nfs/dbraw/zinc/38/50/88/528385088.db2.gz QBEMNLCJHXOQHQ-HNNXBMFYSA-N 0 0 242.366 3.912 20 30 BHEDRN CCC[C@@H]1CCc2ccccc2N1CCCC#N ZINC000470018605 527764747 /nfs/dbraw/zinc/76/47/47/527764747.db2.gz QBEMNLCJHXOQHQ-OAHLLOKOSA-N 0 0 242.366 3.912 20 30 BHEDRN C=CCCC(=O)NC1CCC2(CCCCC2)CC1 ZINC000470050805 527072130 /nfs/dbraw/zinc/07/21/30/527072130.db2.gz MJMVWKWIAGABFB-UHFFFAOYSA-N 0 0 249.398 3.962 20 30 BHEDRN C=CCCCC(=O)N(C)Cc1cc(C)cc(C)c1 ZINC000470055525 527100035 /nfs/dbraw/zinc/10/00/35/527100035.db2.gz GVRYUKCIKDDLSF-UHFFFAOYSA-N 0 0 245.366 3.618 20 30 BHEDRN C=CC[C@@H]1N(C(=O)CCC2CC2)CCCC1(C)C ZINC000470271455 527115307 /nfs/dbraw/zinc/11/53/07/527115307.db2.gz AUDOLDGJNSYGLZ-AWEZNQCLSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CC[C@H]1N(C(=O)CCC2CC2)CCCC1(C)C ZINC000470271456 527224122 /nfs/dbraw/zinc/22/41/22/527224122.db2.gz AUDOLDGJNSYGLZ-CQSZACIVSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CC[C@H]1N(C(=O)[C@@H](C)C2CC2)CCCC1(C)C ZINC000470273890 527225397 /nfs/dbraw/zinc/22/53/97/527225397.db2.gz OBHKJGXFNFCZDG-GXTWGEPZSA-N 0 0 249.398 3.626 20 30 BHEDRN C=CC[C@@H]1N(C(=O)[C@@H](C)C2CC2)CCCC1(C)C ZINC000470273894 527116048 /nfs/dbraw/zinc/11/60/48/527116048.db2.gz OBHKJGXFNFCZDG-JSGCOSHPSA-N 0 0 249.398 3.626 20 30 BHEDRN C=CC[C@@H]1N(C(=O)[C@H](C)C2CC2)CCCC1(C)C ZINC000470273895 527117038 /nfs/dbraw/zinc/11/70/38/527117038.db2.gz OBHKJGXFNFCZDG-OCCSQVGLSA-N 0 0 249.398 3.626 20 30 BHEDRN C=CC[C@H]1N(C(=O)[C@H](C)C2CC2)CCCC1(C)C ZINC000470273896 527224924 /nfs/dbraw/zinc/22/49/24/527224924.db2.gz OBHKJGXFNFCZDG-TZMCWYRMSA-N 0 0 249.398 3.626 20 30 BHEDRN C=CC[C@H]1N(C(=O)[C@H]2CC2(C)C)CCCC1(C)C ZINC000470280965 527225180 /nfs/dbraw/zinc/22/51/80/527225180.db2.gz SMJWXKJZJNTFMA-CHWSQXEVSA-N 0 0 249.398 3.626 20 30 BHEDRN C=CC[C@@H]1N(C(=O)[C@H]2CC2(C)C)CCCC1(C)C ZINC000470280966 527117477 /nfs/dbraw/zinc/11/74/77/527117477.db2.gz SMJWXKJZJNTFMA-OLZOCXBDSA-N 0 0 249.398 3.626 20 30 BHEDRN C=CC[C@H]1N(C(=O)[C@@H]2CC2(C)C)CCCC1(C)C ZINC000470280967 527225574 /nfs/dbraw/zinc/22/55/74/527225574.db2.gz SMJWXKJZJNTFMA-QWHCGFSZSA-N 0 0 249.398 3.626 20 30 BHEDRN C=CC[C@@H]1N(C(=O)[C@@H]2CC2(C)C)CCCC1(C)C ZINC000470280968 527116038 /nfs/dbraw/zinc/11/60/38/527116038.db2.gz SMJWXKJZJNTFMA-STQMWFEESA-N 0 0 249.398 3.626 20 30 BHEDRN Cc1cc(C)cc(/C=C\c2ccncc2C#N)c1 ZINC000470282260 225055245 /nfs/dbraw/zinc/05/52/45/225055245.db2.gz GRQMSMBXXGWVDW-ARJAWSKDSA-N 0 0 234.302 3.741 20 30 BHEDRN Cc1cc(C)cc(/C=C/c2ccncc2C#N)c1 ZINC000470282261 225055533 /nfs/dbraw/zinc/05/55/33/225055533.db2.gz GRQMSMBXXGWVDW-ONEGZZNKSA-N 0 0 234.302 3.741 20 30 BHEDRN CCc1ccc(/C=C/c2ccncc2C#N)cc1 ZINC000470283231 529584390 /nfs/dbraw/zinc/58/43/90/529584390.db2.gz CRVVGBFTKBTJBQ-BQYQJAHWSA-N 0 0 234.302 3.686 20 30 BHEDRN CCc1ccc(/C=C\c2ccncc2C#N)cc1 ZINC000470283234 529588685 /nfs/dbraw/zinc/58/86/85/529588685.db2.gz CRVVGBFTKBTJBQ-FPLPWBNLSA-N 0 0 234.302 3.686 20 30 BHEDRN Cc1ccc(/C=C/c2ccncc2C#N)cc1C ZINC000470289984 225055499 /nfs/dbraw/zinc/05/54/99/225055499.db2.gz ORFLJDYJNVDKLF-AATRIKPKSA-N 0 0 234.302 3.741 20 30 BHEDRN Cc1ccc(/C=C\c2ccncc2C#N)cc1C ZINC000470289985 225055351 /nfs/dbraw/zinc/05/53/51/225055351.db2.gz ORFLJDYJNVDKLF-WAYWQWQTSA-N 0 0 234.302 3.741 20 30 BHEDRN C=CC[C@H]1N(C(=O)CC(C)C)CCCC1(C)C ZINC000470291198 527224324 /nfs/dbraw/zinc/22/43/24/527224324.db2.gz XYKPTXVNOYOLRE-CYBMUJFWSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CC[C@@H]1N(C(=O)CC(C)C)CCCC1(C)C ZINC000470291199 527114995 /nfs/dbraw/zinc/11/49/95/527114995.db2.gz XYKPTXVNOYOLRE-ZDUSSCGKSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CCCCC(=O)N1CCCC(C)(C)[C@@H]1CC=C ZINC000470293650 527103080 /nfs/dbraw/zinc/10/30/80/527103080.db2.gz TULWASBKCMCBIM-AWEZNQCLSA-N 0 0 249.398 3.936 20 30 BHEDRN C=CCCCC(=O)N1CCCC(C)(C)[C@H]1CC=C ZINC000470293651 527102872 /nfs/dbraw/zinc/10/28/72/527102872.db2.gz TULWASBKCMCBIM-CQSZACIVSA-N 0 0 249.398 3.936 20 30 BHEDRN C=CC[C@@H]1N(C(=O)C2CCCC2)CCCC1(C)C ZINC000470294983 527114682 /nfs/dbraw/zinc/11/46/82/527114682.db2.gz BRDBDGDFZOFTJS-AWEZNQCLSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CC[C@H]1N(C(=O)C2CCCC2)CCCC1(C)C ZINC000470294984 527223963 /nfs/dbraw/zinc/22/39/63/527223963.db2.gz BRDBDGDFZOFTJS-CQSZACIVSA-N 0 0 249.398 3.770 20 30 BHEDRN COc1ccc(C#N)cc1N[C@H](C)CCC1CC1 ZINC000470296876 533273976 /nfs/dbraw/zinc/27/39/76/533273976.db2.gz GKQZKUVWNQDHID-LLVKDONJSA-N 0 0 244.338 3.557 20 30 BHEDRN COc1ccc(C#N)cc1N[C@@H](C)CCC1CC1 ZINC000470296877 533273493 /nfs/dbraw/zinc/27/34/93/533273493.db2.gz GKQZKUVWNQDHID-NSHDSACASA-N 0 0 244.338 3.557 20 30 BHEDRN C=CC[C@H]1N(C(=O)[C@H](C)CC)CCCC1(C)C ZINC000470298187 527225288 /nfs/dbraw/zinc/22/52/88/527225288.db2.gz RHMHOMCWKKJAFX-CHWSQXEVSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CC[C@@H]1N(C(=O)[C@H](C)CC)CCCC1(C)C ZINC000470298189 527116094 /nfs/dbraw/zinc/11/60/94/527116094.db2.gz RHMHOMCWKKJAFX-OLZOCXBDSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CC[C@H]1N(C(=O)[C@@H](C)CC)CCCC1(C)C ZINC000470298191 527224968 /nfs/dbraw/zinc/22/49/68/527224968.db2.gz RHMHOMCWKKJAFX-QWHCGFSZSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CC[C@@H]1N(C(=O)[C@@H](C)CC)CCCC1(C)C ZINC000470298192 527116862 /nfs/dbraw/zinc/11/68/62/527116862.db2.gz RHMHOMCWKKJAFX-STQMWFEESA-N 0 0 237.387 3.626 20 30 BHEDRN C=CC[C@H]1N(C(=O)CCCC)CCCC1(C)C ZINC000470305583 527224379 /nfs/dbraw/zinc/22/43/79/527224379.db2.gz CBVZFORVRXJSKO-CYBMUJFWSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CC[C@@H]1N(C(=O)CCCC)CCCC1(C)C ZINC000470305584 527115289 /nfs/dbraw/zinc/11/52/89/527115289.db2.gz CBVZFORVRXJSKO-ZDUSSCGKSA-N 0 0 237.387 3.770 20 30 BHEDRN CC#CCCCC(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000470385595 526289576 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CCC[C@H](C)Sc1nc(C)cc(C)c1C#N ZINC000481245439 528067841 /nfs/dbraw/zinc/06/78/41/528067841.db2.gz GWZPBHVGIAIULH-NSHDSACASA-N 0 0 234.368 3.851 20 30 BHEDRN CCC[C@H](C)Sc1ccc(C#N)cc1 ZINC000481272526 528067946 /nfs/dbraw/zinc/06/79/46/528067946.db2.gz GFFBVPZRTORKEE-JTQLQIEISA-N 0 0 205.326 3.839 20 30 BHEDRN CCC[C@@H](C)Sc1ccc(C#N)cc1 ZINC000481272527 528900371 /nfs/dbraw/zinc/90/03/71/528900371.db2.gz GFFBVPZRTORKEE-SNVBAGLBSA-N 0 0 205.326 3.839 20 30 BHEDRN CCC[C@@H](C)Sc1ccc(C#N)cc1F ZINC000481279560 528900172 /nfs/dbraw/zinc/90/01/72/528900172.db2.gz BKWKVLSRQURXAI-SECBINFHSA-N 0 0 223.316 3.978 20 30 BHEDRN CCC[C@H](C)Sc1ccc(C#N)cc1F ZINC000481279566 528068217 /nfs/dbraw/zinc/06/82/17/528068217.db2.gz BKWKVLSRQURXAI-VIFPVBQESA-N 0 0 223.316 3.978 20 30 BHEDRN C=C(C)CN(C)C(=O)Nc1ccc(CC)c(C)c1 ZINC000481354863 526495055 /nfs/dbraw/zinc/49/50/55/526495055.db2.gz ZEFLBSORKPXUGR-UHFFFAOYSA-N 0 0 246.354 3.597 20 30 BHEDRN CCCc1cccc(CN(CC)C[C@@H](C)C#N)c1 ZINC000481893409 528633222 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225238532 /nfs/dbraw/zinc/23/85/32/225238532.db2.gz CVRMYCAOPUDYAL-UHFFFAOYSA-N 0 0 235.327 3.873 20 30 BHEDRN N#CCN(CCCC1CCCC1)C1CCCC1 ZINC000483246772 225237984 /nfs/dbraw/zinc/23/79/84/225237984.db2.gz VGIUCYRNUFKEMI-UHFFFAOYSA-N 0 0 234.387 3.725 20 30 BHEDRN C=C(C)COc1cccc(N[C@H](C)C2CC2)c1 ZINC000483247573 526671195 /nfs/dbraw/zinc/67/11/95/526671195.db2.gz BUPVNHPVZJZIDY-GFCCVEGCSA-N 0 0 231.339 3.852 20 30 BHEDRN C=C(C)COc1cccc(N[C@@H](C)C2CC2)c1 ZINC000483247574 526671746 /nfs/dbraw/zinc/67/17/46/526671746.db2.gz BUPVNHPVZJZIDY-LBPRGKRZSA-N 0 0 231.339 3.852 20 30 BHEDRN CCN(CC#N)Cc1c(C)c(C)c(C)c(C)c1C ZINC000483263814 527889255 /nfs/dbraw/zinc/88/92/55/527889255.db2.gz PPLCNTFTTZSQQQ-UHFFFAOYSA-N 0 0 244.382 3.574 20 30 BHEDRN C[C@H](c1ccccc1)[N@H+](C)CC#Cc1ccccc1 ZINC000483511775 225243759 /nfs/dbraw/zinc/24/37/59/225243759.db2.gz GCTHSWAKDBLVDM-MRXNPFEDSA-N 0 0 249.357 3.731 20 30 BHEDRN C[C@H]1CCC[C@@H]([N@H+](C)CC#Cc2ccccc2)C1 ZINC000483519322 225244403 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/nfs/dbraw/zinc/13/28/49/527132849.db2.gz WJRCIVGYFCZMJZ-QWHCGFSZSA-N 0 0 240.391 3.609 20 30 BHEDRN C=CC[C@H](C)NC(=O)N[C@@H](CCC)CCCC ZINC000483989799 527132045 /nfs/dbraw/zinc/13/20/45/527132045.db2.gz WJRCIVGYFCZMJZ-STQMWFEESA-N 0 0 240.391 3.609 20 30 BHEDRN C=C(C)CN(Cc1c(F)cccc1F)C1CC1 ZINC000484302274 526553809 /nfs/dbraw/zinc/55/38/09/526553809.db2.gz KJPQNGAAYMAESE-UHFFFAOYSA-N 0 0 237.293 3.505 20 30 BHEDRN CCC[C@H](C(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000484637475 527988665 /nfs/dbraw/zinc/98/86/65/527988665.db2.gz KINYIUULCNUNOG-AWEZNQCLSA-N 0 0 244.338 3.569 20 30 BHEDRN CCC[C@@H](C(=O)Nc1ccc(C#N)cc1)C(C)C ZINC000484637476 528848037 /nfs/dbraw/zinc/84/80/37/528848037.db2.gz KINYIUULCNUNOG-CQSZACIVSA-N 0 0 244.338 3.569 20 30 BHEDRN C=C(C)CN[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000484857990 526626781 /nfs/dbraw/zinc/62/67/81/526626781.db2.gz GVSWYXATYWSPDG-LLVKDONJSA-N 0 0 247.235 3.595 20 30 BHEDRN CC1=C[C@H](C)CN(c2c(Cl)cccc2C#N)C1 ZINC000485412981 528141713 /nfs/dbraw/zinc/14/17/13/528141713.db2.gz UBDKYOKVHJEDFX-JTQLQIEISA-N 0 0 246.741 3.614 20 30 BHEDRN CC1=C[C@@H](C)CN(c2c(Cl)cccc2C#N)C1 ZINC000485412997 528131913 /nfs/dbraw/zinc/13/19/13/528131913.db2.gz UBDKYOKVHJEDFX-SNVBAGLBSA-N 0 0 246.741 3.614 20 30 BHEDRN CC1=C[C@H](C)CN(c2ccc(Cl)cc2C#N)C1 ZINC000485413704 528142651 /nfs/dbraw/zinc/14/26/51/528142651.db2.gz VGYISVFAVGKEDI-JTQLQIEISA-N 0 0 246.741 3.614 20 30 BHEDRN CC1=C[C@@H](C)CN(c2ccc(Cl)cc2C#N)C1 ZINC000485413706 528132475 /nfs/dbraw/zinc/13/24/75/528132475.db2.gz VGYISVFAVGKEDI-SNVBAGLBSA-N 0 0 246.741 3.614 20 30 BHEDRN CC1=C[C@H](C)CN(c2cc(Cl)ccc2C#N)C1 ZINC000485434858 528141000 /nfs/dbraw/zinc/14/10/00/528141000.db2.gz SRSNCFYFFJUFIU-JTQLQIEISA-N 0 0 246.741 3.614 20 30 BHEDRN CC1=C[C@@H](C)CN(c2cc(Cl)ccc2C#N)C1 ZINC000485434859 528132637 /nfs/dbraw/zinc/13/26/37/528132637.db2.gz SRSNCFYFFJUFIU-SNVBAGLBSA-N 0 0 246.741 3.614 20 30 BHEDRN CC1=C[C@H](C)CN(c2ccc(C#N)c(Cl)c2)C1 ZINC000485440732 528140823 /nfs/dbraw/zinc/14/08/23/528140823.db2.gz QPQLVTLQAQWRAG-JTQLQIEISA-N 0 0 246.741 3.614 20 30 BHEDRN CC1=C[C@@H](C)CN(c2ccc(C#N)c(Cl)c2)C1 ZINC000485440733 528132631 /nfs/dbraw/zinc/13/26/31/528132631.db2.gz QPQLVTLQAQWRAG-SNVBAGLBSA-N 0 0 246.741 3.614 20 30 BHEDRN C=CCCC1(C(=O)N(CC)CC(C)(C)C)CC1 ZINC000485458346 527081563 /nfs/dbraw/zinc/08/15/63/527081563.db2.gz VXZHIPUDYDMTNK-UHFFFAOYSA-N 0 0 237.387 3.627 20 30 BHEDRN CC[C@H](C#N)SC(C)(C)c1ccccc1 ZINC000485487699 529589388 /nfs/dbraw/zinc/58/93/88/529589388.db2.gz GAUYBFMEWYVAKD-GFCCVEGCSA-N 0 0 219.353 3.957 20 30 BHEDRN CC[C@@H](C#N)SC(C)(C)c1ccccc1 ZINC000485487708 529270813 /nfs/dbraw/zinc/27/08/13/529270813.db2.gz GAUYBFMEWYVAKD-LBPRGKRZSA-N 0 0 219.353 3.957 20 30 BHEDRN C=CCCCCCSC[C@@H]1CCOC1 ZINC000485564964 387407208 /nfs/dbraw/zinc/40/72/08/387407208.db2.gz AHVJRMJTAONZDB-GFCCVEGCSA-N 0 0 214.374 3.503 20 30 BHEDRN C=CCCCCCSC[C@H]1CCOC1 ZINC000485564965 527137994 /nfs/dbraw/zinc/13/79/94/527137994.db2.gz AHVJRMJTAONZDB-LBPRGKRZSA-N 0 0 214.374 3.503 20 30 BHEDRN Cc1cc(CSCC2CCC2)ccc1C#N ZINC000485570525 533747363 /nfs/dbraw/zinc/74/73/63/533747363.db2.gz IHNGAJVONMMAPF-UHFFFAOYSA-N 0 0 231.364 3.900 20 30 BHEDRN C=CCCCCCSC[C@@H]1CCCO1 ZINC000485573410 527137291 /nfs/dbraw/zinc/13/72/91/527137291.db2.gz COFKXAHKBLWEED-LBPRGKRZSA-N 0 0 214.374 3.645 20 30 BHEDRN C=CCCCCCS[C@H](C)CCOC ZINC000485580384 527138134 /nfs/dbraw/zinc/13/81/34/527138134.db2.gz OYFSBDYNJFAOAP-GFCCVEGCSA-N 0 0 216.390 3.891 20 30 BHEDRN C=CCCCCCS[C@@H](C)CCOC ZINC000485580385 527137591 /nfs/dbraw/zinc/13/75/91/527137591.db2.gz OYFSBDYNJFAOAP-LBPRGKRZSA-N 0 0 216.390 3.891 20 30 BHEDRN C=C(C)CSCc1ccc(C#N)c(C)c1 ZINC000485581571 526690377 /nfs/dbraw/zinc/69/03/77/526690377.db2.gz PYKGXMVAMHZZBS-UHFFFAOYSA-N 0 0 217.337 3.676 20 30 BHEDRN C=CCCCCCSCCOC(C)C ZINC000485587659 527137202 /nfs/dbraw/zinc/13/72/02/527137202.db2.gz WRGOZTDYIVAQHI-UHFFFAOYSA-N 0 0 216.390 3.891 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)Nc1cccc(C)c1 ZINC000485590061 527602164 /nfs/dbraw/zinc/60/21/64/527602164.db2.gz KNKGYFKAECIAEW-AWEZNQCLSA-N 0 0 244.338 3.567 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)Nc1cccc(C)c1 ZINC000485590062 527452829 /nfs/dbraw/zinc/45/28/29/527452829.db2.gz KNKGYFKAECIAEW-CQSZACIVSA-N 0 0 244.338 3.567 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)Nc1ccc(C)cc1 ZINC000485592483 527601994 /nfs/dbraw/zinc/60/19/94/527601994.db2.gz KSDCDMQZLARKHL-AWEZNQCLSA-N 0 0 244.338 3.567 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)Nc1ccc(C)cc1 ZINC000485592484 527453228 /nfs/dbraw/zinc/45/32/28/527453228.db2.gz KSDCDMQZLARKHL-CQSZACIVSA-N 0 0 244.338 3.567 20 30 BHEDRN Cc1cc(CSCCC2CC2)ccc1C#N ZINC000485596111 533747827 /nfs/dbraw/zinc/74/78/27/533747827.db2.gz SLDDMMQNIUSHAK-UHFFFAOYSA-N 0 0 231.364 3.900 20 30 BHEDRN C=CCCCCCSCC1(C#N)CC1 ZINC000485604348 527138315 /nfs/dbraw/zinc/13/83/15/527138315.db2.gz UIJBBHIAMCQBAQ-UHFFFAOYSA-N 0 0 209.358 3.770 20 30 BHEDRN CC(C)(C)CN(CC1(C#N)CC1)c1ccccc1 ZINC000485806859 527679899 /nfs/dbraw/zinc/67/98/99/527679899.db2.gz QIQHLBSZWJRGAL-UHFFFAOYSA-N 0 0 242.366 3.843 20 30 BHEDRN C=CCCCc1nc(-c2cccc(C)c2F)no1 ZINC000485964208 527297351 /nfs/dbraw/zinc/29/73/51/527297351.db2.gz IFEHGORBDYRKFK-UHFFFAOYSA-N 0 0 246.285 3.693 20 30 BHEDRN C=CCN(c1ccc2ccc(F)cc2n1)C1CC1 ZINC000485966821 526385984 /nfs/dbraw/zinc/38/59/84/526385984.db2.gz QTRUWMARNHTEIA-UHFFFAOYSA-N 0 0 242.297 3.529 20 30 BHEDRN CCc1ccc(/C=C\c2ncccc2C#N)cc1 ZINC000485981862 529588814 /nfs/dbraw/zinc/58/88/14/529588814.db2.gz JLQWLHOWLSXTHE-KTKRTIGZSA-N 0 0 234.302 3.686 20 30 BHEDRN CCc1ccc(/C=C/c2ncccc2C#N)cc1 ZINC000485981863 529584401 /nfs/dbraw/zinc/58/44/01/529584401.db2.gz JLQWLHOWLSXTHE-MDZDMXLPSA-N 0 0 234.302 3.686 20 30 BHEDRN Cc1ccc(/C=C/c2ncccc2C#N)cc1C ZINC000485987354 225260367 /nfs/dbraw/zinc/26/03/67/225260367.db2.gz SEAXIXLWQKIGLQ-BQYQJAHWSA-N 0 0 234.302 3.741 20 30 BHEDRN Cc1ccc(/C=C\c2ncccc2C#N)cc1C ZINC000485987357 225260651 /nfs/dbraw/zinc/26/06/51/225260651.db2.gz SEAXIXLWQKIGLQ-FPLPWBNLSA-N 0 0 234.302 3.741 20 30 BHEDRN C[C@H](CC1CCCCC1)Nc1cnccc1C#N ZINC000486026778 533783717 /nfs/dbraw/zinc/78/37/17/533783717.db2.gz GSUAYQDLXYFVHF-GFCCVEGCSA-N 0 0 243.354 3.724 20 30 BHEDRN N#Cc1cccnc1/C=C\c1sccc1Cl ZINC000486052597 225261321 /nfs/dbraw/zinc/26/13/21/225261321.db2.gz JVQVGFDZERHGBV-ARJAWSKDSA-N 0 0 246.722 3.839 20 30 BHEDRN N#Cc1cccnc1/C=C/c1sccc1Cl ZINC000486052622 225261257 /nfs/dbraw/zinc/26/12/57/225261257.db2.gz JVQVGFDZERHGBV-ONEGZZNKSA-N 0 0 246.722 3.839 20 30 BHEDRN C=CCSCCCc1cccc(F)c1 ZINC000486054263 526979568 /nfs/dbraw/zinc/97/95/68/526979568.db2.gz VUZDZCIMIFIDJA-UHFFFAOYSA-N 0 0 210.317 3.678 20 30 BHEDRN C=CCS[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000486072687 527007154 /nfs/dbraw/zinc/00/71/54/527007154.db2.gz BAKLCTKVUISQNQ-JTQLQIEISA-N 0 0 237.324 3.883 20 30 BHEDRN C=CCS[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000486072688 527007508 /nfs/dbraw/zinc/00/75/08/527007508.db2.gz BAKLCTKVUISQNQ-SNVBAGLBSA-N 0 0 237.324 3.883 20 30 BHEDRN N#Cc1cccnc1/C=C\c1cccc(Cl)c1 ZINC000486098844 225261664 /nfs/dbraw/zinc/26/16/64/225261664.db2.gz ARDYOTUZZAVDPR-SREVYHEPSA-N 0 0 240.693 3.777 20 30 BHEDRN N#Cc1cccnc1/C=C/c1cccc(Cl)c1 ZINC000486098845 225262115 /nfs/dbraw/zinc/26/21/15/225262115.db2.gz ARDYOTUZZAVDPR-VOTSOKGWSA-N 0 0 240.693 3.777 20 30 BHEDRN C=C(C)COc1cc(Cl)cc2cccnc21 ZINC000486100378 526663018 /nfs/dbraw/zinc/66/30/18/526663018.db2.gz LGPSPFRSOBZASD-UHFFFAOYSA-N 0 0 233.698 3.843 20 30 BHEDRN N#CC1(CSCCCc2cccc(F)c2)CC1 ZINC000486100631 225262005 /nfs/dbraw/zinc/26/20/05/225262005.db2.gz GPSQWLKFFCWONE-UHFFFAOYSA-N 0 0 249.354 3.795 20 30 BHEDRN N#Cc1cccnc1/C=C/c1ccc(Cl)s1 ZINC000486101916 225262352 /nfs/dbraw/zinc/26/23/52/225262352.db2.gz KOEIGTMGOOOQMI-HWKANZROSA-N 0 0 246.722 3.839 20 30 BHEDRN N#Cc1cccnc1/C=C\c1ccc(Cl)s1 ZINC000486101917 225261834 /nfs/dbraw/zinc/26/18/34/225261834.db2.gz KOEIGTMGOOOQMI-HYXAFXHYSA-N 0 0 246.722 3.839 20 30 BHEDRN Cc1cc(C)cc(/C=C/c2ncccc2C#N)c1 ZINC000486102310 225261224 /nfs/dbraw/zinc/26/12/24/225261224.db2.gz MIYNTMUVBHEVLT-AATRIKPKSA-N 0 0 234.302 3.741 20 30 BHEDRN Cc1cc(C)cc(/C=C\c2ncccc2C#N)c1 ZINC000486102312 225261953 /nfs/dbraw/zinc/26/19/53/225261953.db2.gz MIYNTMUVBHEVLT-WAYWQWQTSA-N 0 0 234.302 3.741 20 30 BHEDRN N#Cc1cccnc1/C=C/c1ccc(Cl)cc1 ZINC000486106047 225261807 /nfs/dbraw/zinc/26/18/07/225261807.db2.gz VDYLIPDROZCCKK-VMPITWQZSA-N 0 0 240.693 3.777 20 30 BHEDRN N#Cc1cccnc1/C=C\c1ccc(Cl)cc1 ZINC000486106049 225261279 /nfs/dbraw/zinc/26/12/79/225261279.db2.gz VDYLIPDROZCCKK-YVMONPNESA-N 0 0 240.693 3.777 20 30 BHEDRN C=C(C)COc1cccc2c(C)cc(C)nc12 ZINC000486237254 526673457 /nfs/dbraw/zinc/67/34/57/526673457.db2.gz ZZKHPNKBZSDHQD-UHFFFAOYSA-N 0 0 227.307 3.807 20 30 BHEDRN CCCC(C)(C)CC(=O)Nc1cccc(C#N)c1 ZINC000486377975 527982877 /nfs/dbraw/zinc/98/28/77/527982877.db2.gz LBMRMTGBCNSXPH-UHFFFAOYSA-N 0 0 244.338 3.713 20 30 BHEDRN C=C[C@@H]1CCCCN1c1nc2ccccc2s1 ZINC000486460115 527458453 /nfs/dbraw/zinc/45/84/53/527458453.db2.gz APAUIQLEZYZKKQ-LLVKDONJSA-N 0 0 244.363 3.841 20 30 BHEDRN C=C[C@H]1CCCCN1c1nc2ccccc2s1 ZINC000486460118 527605743 /nfs/dbraw/zinc/60/57/43/527605743.db2.gz APAUIQLEZYZKKQ-NSHDSACASA-N 0 0 244.363 3.841 20 30 BHEDRN C=C[C@@H]1CCCCN1c1ncc(C(C)C)s1 ZINC000486468657 527459399 /nfs/dbraw/zinc/45/93/99/527459399.db2.gz QUKNMAZTAMBKOJ-LLVKDONJSA-N 0 0 236.384 3.811 20 30 BHEDRN C=C[C@H]1CCCCN1c1ncc(C(C)C)s1 ZINC000486468658 527606708 /nfs/dbraw/zinc/60/67/08/527606708.db2.gz QUKNMAZTAMBKOJ-NSHDSACASA-N 0 0 236.384 3.811 20 30 BHEDRN C=C[C@@H]1CCCCN1c1ccnc2ccsc21 ZINC000486469606 527458540 /nfs/dbraw/zinc/45/85/40/527458540.db2.gz UXYKXRROLKPLEN-LLVKDONJSA-N 0 0 244.363 3.841 20 30 BHEDRN C=C[C@H]1CCCCN1c1ccnc2ccsc21 ZINC000486469607 527605814 /nfs/dbraw/zinc/60/58/14/527605814.db2.gz UXYKXRROLKPLEN-NSHDSACASA-N 0 0 244.363 3.841 20 30 BHEDRN C=C[C@@H]1CCCCN1c1nc2cc(F)ccc2o1 ZINC000486481164 527459304 /nfs/dbraw/zinc/45/93/04/527459304.db2.gz SHWLWNFTYJCJNL-LLVKDONJSA-N 0 0 246.285 3.512 20 30 BHEDRN C=C[C@H]1CCCCN1c1nc2cc(F)ccc2o1 ZINC000486481166 527605306 /nfs/dbraw/zinc/60/53/06/527605306.db2.gz SHWLWNFTYJCJNL-NSHDSACASA-N 0 0 246.285 3.512 20 30 BHEDRN C=C[C@H]1CCCCN1c1nc2c(cccc2F)o1 ZINC000486484274 527604919 /nfs/dbraw/zinc/60/49/19/527604919.db2.gz FAAJFPLNPJBXJF-JTQLQIEISA-N 0 0 246.285 3.512 20 30 BHEDRN C=C[C@@H]1CCCCN1c1nc2c(cccc2F)o1 ZINC000486484275 527459025 /nfs/dbraw/zinc/45/90/25/527459025.db2.gz FAAJFPLNPJBXJF-SNVBAGLBSA-N 0 0 246.285 3.512 20 30 BHEDRN C=C[C@@H]1CCCCN1c1nc2cc(C)ccc2o1 ZINC000486486292 527459041 /nfs/dbraw/zinc/45/90/41/527459041.db2.gz IUVGJCJJQNXVHZ-GFCCVEGCSA-N 0 0 242.322 3.681 20 30 BHEDRN C=C[C@H]1CCCCN1c1nc2cc(C)ccc2o1 ZINC000486486306 527605297 /nfs/dbraw/zinc/60/52/97/527605297.db2.gz IUVGJCJJQNXVHZ-LBPRGKRZSA-N 0 0 242.322 3.681 20 30 BHEDRN C=C[C@@H]1CCCCN1c1ccc(C#N)c(Cl)c1 ZINC000486497746 527459054 /nfs/dbraw/zinc/45/90/54/527459054.db2.gz LYUAXLZTAZFQHB-GFCCVEGCSA-N 0 0 246.741 3.757 20 30 BHEDRN C=C[C@H]1CCCCN1c1ccc(C#N)c(Cl)c1 ZINC000486497747 527605826 /nfs/dbraw/zinc/60/58/26/527605826.db2.gz LYUAXLZTAZFQHB-LBPRGKRZSA-N 0 0 246.741 3.757 20 30 BHEDRN C=C[C@H]1CCCCN1c1ccc2ccccc2n1 ZINC000486500090 527605226 /nfs/dbraw/zinc/60/52/26/527605226.db2.gz MAZJGQNUVBJKQU-AWEZNQCLSA-N 0 0 238.334 3.780 20 30 BHEDRN C=C[C@@H]1CCCCN1c1ccc2ccccc2n1 ZINC000486500092 527458646 /nfs/dbraw/zinc/45/86/46/527458646.db2.gz MAZJGQNUVBJKQU-CQSZACIVSA-N 0 0 238.334 3.780 20 30 BHEDRN N#Cc1cccnc1Nc1ccc(C2CCC2)cc1 ZINC000486503899 534821081 /nfs/dbraw/zinc/82/10/81/534821081.db2.gz CMCAHQRYKQVAQS-UHFFFAOYSA-N 0 0 249.317 3.964 20 30 BHEDRN C=CCSc1ccccc1C(=O)OC(C)C ZINC000486612038 527011517 /nfs/dbraw/zinc/01/15/17/527011517.db2.gz OAQICUYGAGBEDB-UHFFFAOYSA-N 0 0 236.336 3.530 20 30 BHEDRN N#Cc1cccc(NC2CCC3(CC3)CC2)c1 ZINC000486692253 534809073 /nfs/dbraw/zinc/80/90/73/534809073.db2.gz BRSPCBWXMTZARB-UHFFFAOYSA-N 0 0 226.323 3.693 20 30 BHEDRN N#CCc1ccc(NC2CCC3(CC3)CC2)cc1 ZINC000486699017 225267562 /nfs/dbraw/zinc/26/75/62/225267562.db2.gz WAFMSHDJRYTTDO-UHFFFAOYSA-N 0 0 240.350 3.887 20 30 BHEDRN Cc1cc(CN(C)c2ccccc2)ccc1C#N ZINC000486820546 225269198 /nfs/dbraw/zinc/26/91/98/225269198.db2.gz PUVOJTPDRZVLGE-UHFFFAOYSA-N 0 0 236.318 3.503 20 30 BHEDRN N#Cc1cccc(OCc2cc3ccccc3o2)c1 ZINC000486833768 225270628 /nfs/dbraw/zinc/27/06/28/225270628.db2.gz QKAMWOHRJSFYDD-UHFFFAOYSA-N 0 0 249.269 3.883 20 30 BHEDRN N#Cc1ccccc1OCc1cc2ccccc2o1 ZINC000486885520 225270950 /nfs/dbraw/zinc/27/09/50/225270950.db2.gz VBDUEZQXEQISPR-UHFFFAOYSA-N 0 0 249.269 3.883 20 30 BHEDRN N#Cc1ccc(OCc2cc3ccccc3o2)cc1 ZINC000486897428 534796771 /nfs/dbraw/zinc/79/67/71/534796771.db2.gz NLLWJPHNLLCTBQ-UHFFFAOYSA-N 0 0 249.269 3.883 20 30 BHEDRN CCCCC[C@H]1CCCN1c1ccc(C#N)nc1 ZINC000486904278 528274587 /nfs/dbraw/zinc/27/45/87/528274587.db2.gz AOSCKWOHSXPDHX-AWEZNQCLSA-N 0 0 243.354 3.502 20 30 BHEDRN CCCCC[C@@H]1CCCN1c1ccc(C#N)nc1 ZINC000486904314 528261470 /nfs/dbraw/zinc/26/14/70/528261470.db2.gz AOSCKWOHSXPDHX-CQSZACIVSA-N 0 0 243.354 3.502 20 30 BHEDRN CCCCC[C@H]1CCCN1c1ncccc1C#N ZINC000486906912 528275054 /nfs/dbraw/zinc/27/50/54/528275054.db2.gz YKZZROZUYZBSRV-AWEZNQCLSA-N 0 0 243.354 3.502 20 30 BHEDRN CCCCC[C@@H]1CCCN1c1ncccc1C#N ZINC000486906913 528262277 /nfs/dbraw/zinc/26/22/77/528262277.db2.gz YKZZROZUYZBSRV-CQSZACIVSA-N 0 0 243.354 3.502 20 30 BHEDRN N#Cc1ccc(N[C@@H]2CCCC(F)(F)C2)cc1 ZINC000486917157 225272025 /nfs/dbraw/zinc/27/20/25/225272025.db2.gz XCVNXQUSTDESEP-GFCCVEGCSA-N 0 0 236.265 3.548 20 30 BHEDRN N#Cc1ccc(N[C@H]2CCCC(F)(F)C2)cc1 ZINC000486917159 225271977 /nfs/dbraw/zinc/27/19/77/225271977.db2.gz XCVNXQUSTDESEP-LBPRGKRZSA-N 0 0 236.265 3.548 20 30 BHEDRN CCCCC[C@H]1CCCN1c1ccc(C#N)cn1 ZINC000486923660 528274994 /nfs/dbraw/zinc/27/49/94/528274994.db2.gz IGLVRFMEHQPKRF-AWEZNQCLSA-N 0 0 243.354 3.502 20 30 BHEDRN CCCCC[C@@H]1CCCN1c1ccc(C#N)cn1 ZINC000486923662 528261946 /nfs/dbraw/zinc/26/19/46/528261946.db2.gz IGLVRFMEHQPKRF-CQSZACIVSA-N 0 0 243.354 3.502 20 30 BHEDRN C=CCCCC(=O)N[C@@H](C)CC1CCCCC1 ZINC000487251232 527109640 /nfs/dbraw/zinc/10/96/40/527109640.db2.gz GAGFCZFTHDIFBQ-ZDUSSCGKSA-N 0 0 237.387 3.818 20 30 BHEDRN CC#CCCCC(=O)N[C@@H](C)CC1CCCCC1 ZINC000487257175 526299345 /nfs/dbraw/zinc/29/93/45/526299345.db2.gz SZXSQDCSTFFTHU-AWEZNQCLSA-N 0 0 249.398 3.655 20 30 BHEDRN C=CCCCCCN(C)C(=O)CCC1CCC1 ZINC000487599897 527122347 /nfs/dbraw/zinc/12/23/47/527122347.db2.gz BTVSFSFBBVIAFK-UHFFFAOYSA-N 0 0 237.387 3.772 20 30 BHEDRN C=C(C)CNC(=O)Nc1cccc(CC)c1CC ZINC000487646153 538908718 /nfs/dbraw/zinc/90/87/18/538908718.db2.gz MTAILUFYYWNHJM-UHFFFAOYSA-N 0 0 246.354 3.509 20 30 BHEDRN CCC[C@@H](CC)Sc1ccc(C#N)c(C)n1 ZINC000487714702 528926037 /nfs/dbraw/zinc/92/60/37/528926037.db2.gz ASCWHCHNNPSHFS-GFCCVEGCSA-N 0 0 234.368 3.933 20 30 BHEDRN CCC[C@H](CC)Sc1ccc(C#N)c(C)n1 ZINC000487714716 528110575 /nfs/dbraw/zinc/11/05/75/528110575.db2.gz ASCWHCHNNPSHFS-LBPRGKRZSA-N 0 0 234.368 3.933 20 30 BHEDRN C=CCCCNc1cnc(-c2ccccc2)cn1 ZINC000487763313 527236737 /nfs/dbraw/zinc/23/67/37/527236737.db2.gz UJNXKWGVMBTKQX-UHFFFAOYSA-N 0 0 239.322 3.522 20 30 BHEDRN C=CCCC[C@H](C)Sc1nc2c([nH]1)CCC2 ZINC000487860129 527298358 /nfs/dbraw/zinc/29/83/58/527298358.db2.gz NGHXUWYYPYRGML-JTQLQIEISA-N 0 0 236.384 3.735 20 30 BHEDRN C=CCCC[C@@H](C)Sc1nc2c([nH]1)CCC2 ZINC000487860132 527272552 /nfs/dbraw/zinc/27/25/52/527272552.db2.gz NGHXUWYYPYRGML-SNVBAGLBSA-N 0 0 236.384 3.735 20 30 BHEDRN C=CCCCCCSc1nc2c([nH]1)CCC2 ZINC000487867357 527138187 /nfs/dbraw/zinc/13/81/87/527138187.db2.gz HOGJAYUSCQAPFJ-UHFFFAOYSA-N 0 0 236.384 3.737 20 30 BHEDRN C=CCCCCCN(CC)CC(F)(F)F ZINC000487896287 527130165 /nfs/dbraw/zinc/13/01/65/527130165.db2.gz KMDFVXXZCPTFTL-UHFFFAOYSA-N 0 0 223.282 3.617 20 30 BHEDRN C=CCC(C)(C)C(=O)Nc1ccc(CC)c(F)c1 ZINC000487908462 526996407 /nfs/dbraw/zinc/99/64/07/526996407.db2.gz DIZMXKNXTTWDSB-UHFFFAOYSA-N 0 0 249.329 3.929 20 30 BHEDRN C=CCCCCCN(CCC)CC(F)F ZINC000487926448 527130803 /nfs/dbraw/zinc/13/08/03/527130803.db2.gz CYAMQZYWQAFDSC-UHFFFAOYSA-N 0 0 219.319 3.710 20 30 BHEDRN CCC(CC)Sc1ccc(C#N)c(C)n1 ZINC000488106711 528808124 /nfs/dbraw/zinc/80/81/24/528808124.db2.gz YABDZPBLLLUCSC-UHFFFAOYSA-N 0 0 220.341 3.542 20 30 BHEDRN CCNc1ccc(Oc2ccccc2)c(C#N)c1 ZINC000488109379 528435115 /nfs/dbraw/zinc/43/51/15/528435115.db2.gz KHLYUORYXWKYGU-UHFFFAOYSA-N 0 0 238.290 3.782 20 30 BHEDRN C=C(C)COc1ccccc1C(=O)OC(C)(C)C ZINC000488118889 526673160 /nfs/dbraw/zinc/67/31/60/526673160.db2.gz RYULXEFQTNRMEJ-UHFFFAOYSA-N 0 0 248.322 3.597 20 30 BHEDRN C=CCCCCCN(CC(F)(F)F)C1CC1 ZINC000488149508 527130348 /nfs/dbraw/zinc/13/03/48/527130348.db2.gz YWKZGGDFYPEVPN-UHFFFAOYSA-N 0 0 235.293 3.760 20 30 BHEDRN C=C(C)CN[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000488215562 526626273 /nfs/dbraw/zinc/62/62/73/526626273.db2.gz GVSWYXATYWSPDG-NSHDSACASA-N 0 0 247.235 3.595 20 30 BHEDRN C=C(C)COc1cccc(OC(F)(F)F)c1 ZINC000488215782 526673504 /nfs/dbraw/zinc/67/35/04/526673504.db2.gz WYSMUVLMBHBVRE-UHFFFAOYSA-N 0 0 232.201 3.540 20 30 BHEDRN N#Cc1c(F)cccc1CSCc1ccco1 ZINC000488230757 225356850 /nfs/dbraw/zinc/35/68/50/225356850.db2.gz JNHBOAYSOUXODU-UHFFFAOYSA-N 0 0 247.294 3.724 20 30 BHEDRN CC#CCSc1nc(-c2ccccc2)c(C)[nH]1 ZINC000488235051 526386098 /nfs/dbraw/zinc/38/60/98/526386098.db2.gz UBDZCEOTCQYSAV-UHFFFAOYSA-N 0 0 242.347 3.501 20 30 BHEDRN C=CCCCCCN(CC(F)F)C(C)C ZINC000488242975 527131388 /nfs/dbraw/zinc/13/13/88/527131388.db2.gz JZDKUIPNOMFJBZ-UHFFFAOYSA-N 0 0 219.319 3.708 20 30 BHEDRN N#Cc1c(F)cccc1CSC1CCCC1 ZINC000488261138 225358993 /nfs/dbraw/zinc/35/89/93/225358993.db2.gz GZDCBQKVYYZRPY-UHFFFAOYSA-N 0 0 235.327 3.873 20 30 BHEDRN CC(C)CSCc1cccc(F)c1C#N ZINC000488265485 528226898 /nfs/dbraw/zinc/22/68/98/528226898.db2.gz ROWXAQSMTBBHCW-UHFFFAOYSA-N 0 0 223.316 3.587 20 30 BHEDRN CC(C)[C@H](C)SCc1cccc(F)c1C#N ZINC000488266306 528973470 /nfs/dbraw/zinc/97/34/70/528973470.db2.gz SCLYKSCNEQOJHQ-JTQLQIEISA-N 0 0 237.343 3.975 20 30 BHEDRN CC(C)[C@@H](C)SCc1cccc(F)c1C#N ZINC000488266307 528421893 /nfs/dbraw/zinc/42/18/93/528421893.db2.gz SCLYKSCNEQOJHQ-SNVBAGLBSA-N 0 0 237.343 3.975 20 30 BHEDRN N#Cc1c(F)cccc1CSc1ccccc1 ZINC000488272312 229180446 /nfs/dbraw/zinc/18/04/46/229180446.db2.gz MSRLKNPAWIASII-UHFFFAOYSA-N 0 0 243.306 3.990 20 30 BHEDRN CC(C)=CCSCc1cccc(F)c1C#N ZINC000488283925 527453891 /nfs/dbraw/zinc/45/38/91/527453891.db2.gz YCKUKXJGHJTOAH-UHFFFAOYSA-N 0 0 235.327 3.897 20 30 BHEDRN Cc1occc1SCc1cccc(F)c1C#N ZINC000488289422 534586619 /nfs/dbraw/zinc/58/66/19/534586619.db2.gz VHHPWZVGBPFDHE-UHFFFAOYSA-N 0 0 247.294 3.891 20 30 BHEDRN CC(C)[C@@H]1C[C@H](Nc2cccc(C#N)c2)CS1 ZINC000488299504 528786800 /nfs/dbraw/zinc/78/68/00/528786800.db2.gz NZGYYASEJMZXGG-KBPBESRZSA-N 0 0 246.379 3.500 20 30 BHEDRN CC(C)[C@@H]1C[C@@H](Nc2cccc(C#N)c2)CS1 ZINC000488299505 528767633 /nfs/dbraw/zinc/76/76/33/528767633.db2.gz NZGYYASEJMZXGG-KGLIPLIRSA-N 0 0 246.379 3.500 20 30 BHEDRN CC(C)[C@H]1C[C@H](Nc2cccc(C#N)c2)CS1 ZINC000488299506 527884631 /nfs/dbraw/zinc/88/46/31/527884631.db2.gz NZGYYASEJMZXGG-UONOGXRCSA-N 0 0 246.379 3.500 20 30 BHEDRN CC(C)[C@H]1C[C@@H](Nc2cccc(C#N)c2)CS1 ZINC000488300039 527874052 /nfs/dbraw/zinc/87/40/52/527874052.db2.gz NZGYYASEJMZXGG-ZIAGYGMSSA-N 0 0 246.379 3.500 20 30 BHEDRN CC(C)(C)CSCc1cccc(F)c1C#N ZINC000488300848 527691124 /nfs/dbraw/zinc/69/11/24/527691124.db2.gz ZVOCFFXJPJPVGZ-UHFFFAOYSA-N 0 0 237.343 3.977 20 30 BHEDRN C=CCCC(=O)N1CCC[C@H]1CCC1CCCC1 ZINC000488324814 527068986 /nfs/dbraw/zinc/06/89/86/527068986.db2.gz DERMXMRILCDHGB-HNNXBMFYSA-N 0 0 249.398 3.914 20 30 BHEDRN C=CCCC(=O)N1CCC[C@@H]1CCC1CCCC1 ZINC000488324817 527069789 /nfs/dbraw/zinc/06/97/89/527069789.db2.gz DERMXMRILCDHGB-OAHLLOKOSA-N 0 0 249.398 3.914 20 30 BHEDRN C=C(C)COc1cccc(NC[C@H]2C[C@H]2C)c1 ZINC000488328832 526671805 /nfs/dbraw/zinc/67/18/05/526671805.db2.gz XNPWMRREXSDYSI-CHWSQXEVSA-N 0 0 231.339 3.709 20 30 BHEDRN C=C(C)COc1cccc(NC[C@@H]2C[C@H]2C)c1 ZINC000488328833 526670973 /nfs/dbraw/zinc/67/09/73/526670973.db2.gz XNPWMRREXSDYSI-OLZOCXBDSA-N 0 0 231.339 3.709 20 30 BHEDRN C=C(C)COc1cccc(NC[C@H]2C[C@@H]2C)c1 ZINC000488328834 526670961 /nfs/dbraw/zinc/67/09/61/526670961.db2.gz XNPWMRREXSDYSI-QWHCGFSZSA-N 0 0 231.339 3.709 20 30 BHEDRN C=C(C)COc1cccc(NC[C@@H]2C[C@@H]2C)c1 ZINC000488328835 526671873 /nfs/dbraw/zinc/67/18/73/526671873.db2.gz XNPWMRREXSDYSI-STQMWFEESA-N 0 0 231.339 3.709 20 30 BHEDRN C=CCCC(=O)Nc1ccc(C)c(OC(C)C)c1 ZINC000488426809 527078244 /nfs/dbraw/zinc/07/82/44/527078244.db2.gz ANXPHHQJVFHGMR-UHFFFAOYSA-N 0 0 247.338 3.687 20 30 BHEDRN C[C@H](c1ccc(C#N)cc1)N1CCc2ccccc21 ZINC000488498683 388579329 /nfs/dbraw/zinc/57/93/29/388579329.db2.gz XDUVPQYEWAYPEH-CYBMUJFWSA-N 0 0 248.329 3.682 20 30 BHEDRN C[C@@H](c1ccc(C#N)cc1)N1CCc2ccccc21 ZINC000488498694 388579877 /nfs/dbraw/zinc/57/98/77/388579877.db2.gz XDUVPQYEWAYPEH-ZDUSSCGKSA-N 0 0 248.329 3.682 20 30 BHEDRN CCCCSCc1ccc(F)cc1C#N ZINC000488542240 528737320 /nfs/dbraw/zinc/73/73/20/528737320.db2.gz VXICWONIADUHLC-UHFFFAOYSA-N 0 0 223.316 3.731 20 30 BHEDRN CC(C)CCSCc1ccc(F)cc1C#N ZINC000488564600 388581719 /nfs/dbraw/zinc/58/17/19/388581719.db2.gz DSJNTRUDRYNTNX-UHFFFAOYSA-N 0 0 237.343 3.977 20 30 BHEDRN Cc1ccoc1CNc1c(Cl)cccc1C#N ZINC000488695891 398282602 /nfs/dbraw/zinc/28/26/02/398282602.db2.gz AQTVNYHJEBLTTC-UHFFFAOYSA-N 0 0 246.697 3.725 20 30 BHEDRN C=C(CC)CSc1ccc(C(F)(F)F)nn1 ZINC000488786065 386506646 /nfs/dbraw/zinc/50/66/46/386506646.db2.gz SMRBBWPELFSKGK-UHFFFAOYSA-N 0 0 248.273 3.554 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@@H]1CC12CCCCC2 ZINC000488811442 388195796 /nfs/dbraw/zinc/19/57/96/388195796.db2.gz COLRONSXHRXEJD-KBPBESRZSA-N 0 0 247.382 3.524 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC12CCCCC2 ZINC000488811443 388195865 /nfs/dbraw/zinc/19/58/65/388195865.db2.gz COLRONSXHRXEJD-KGLIPLIRSA-N 0 0 247.382 3.524 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@H]1CC12CCCCC2 ZINC000488811444 388196165 /nfs/dbraw/zinc/19/61/65/388196165.db2.gz COLRONSXHRXEJD-UONOGXRCSA-N 0 0 247.382 3.524 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@H]1CC12CCCCC2 ZINC000488811445 388196041 /nfs/dbraw/zinc/19/60/41/388196041.db2.gz COLRONSXHRXEJD-ZIAGYGMSSA-N 0 0 247.382 3.524 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)C1CCC(C)(C)CC1 ZINC000488813500 388195608 /nfs/dbraw/zinc/19/56/08/388195608.db2.gz IGPRRBNEFYVIOP-AWEZNQCLSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C1CCC(C)(C)CC1 ZINC000488813501 527447515 /nfs/dbraw/zinc/44/75/15/527447515.db2.gz IGPRRBNEFYVIOP-CQSZACIVSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@H](C)CC(C)(C)C ZINC000488815590 388195759 /nfs/dbraw/zinc/19/57/59/388195759.db2.gz BTIUHZVFEPCFOG-CHWSQXEVSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@H](C)CC(C)(C)C ZINC000488815592 388195715 /nfs/dbraw/zinc/19/57/15/388195715.db2.gz BTIUHZVFEPCFOG-OLZOCXBDSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@@H](C)CC(C)(C)C ZINC000488815593 527453948 /nfs/dbraw/zinc/45/39/48/527453948.db2.gz BTIUHZVFEPCFOG-QWHCGFSZSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@@H](C)CC(C)(C)C ZINC000488815594 388195800 /nfs/dbraw/zinc/19/58/00/388195800.db2.gz BTIUHZVFEPCFOG-STQMWFEESA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)c1ccccc1Cl ZINC000488816268 388195725 /nfs/dbraw/zinc/19/57/25/388195725.db2.gz CEBPNDYVKRFYPD-LLVKDONJSA-N 0 0 249.741 3.521 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)c1ccccc1Cl ZINC000488816269 388195984 /nfs/dbraw/zinc/19/59/84/388195984.db2.gz CEBPNDYVKRFYPD-NSHDSACASA-N 0 0 249.741 3.521 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@@H](C)C(CC)CC ZINC000488817436 388195951 /nfs/dbraw/zinc/19/59/51/388195951.db2.gz OWGHQDLNXMPSRP-GXTWGEPZSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@@H](C)C(CC)CC ZINC000488817437 527601959 /nfs/dbraw/zinc/60/19/59/527601959.db2.gz OWGHQDLNXMPSRP-JSGCOSHPSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@H](C)C(CC)CC ZINC000488817438 527603440 /nfs/dbraw/zinc/60/34/40/527603440.db2.gz OWGHQDLNXMPSRP-OCCSQVGLSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@H](C)C(CC)CC ZINC000488817439 527454251 /nfs/dbraw/zinc/45/42/51/527454251.db2.gz OWGHQDLNXMPSRP-TZMCWYRMSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000488817515 388196101 /nfs/dbraw/zinc/19/61/01/388196101.db2.gz OQWNOXCKIOPTOQ-KBPBESRZSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000488817516 388196055 /nfs/dbraw/zinc/19/60/55/388196055.db2.gz OQWNOXCKIOPTOQ-KGLIPLIRSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@H]1CCCC(C)(C)C1 ZINC000488817517 388195785 /nfs/dbraw/zinc/19/57/85/388195785.db2.gz OQWNOXCKIOPTOQ-UONOGXRCSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000488817518 388195841 /nfs/dbraw/zinc/19/58/41/388195841.db2.gz OQWNOXCKIOPTOQ-ZIAGYGMSSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)CC1CCC(C)CC1 ZINC000488823702 388196834 /nfs/dbraw/zinc/19/68/34/388196834.db2.gz MCFFPSISSMKVCW-NRXISQOPSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)CC1CCC(C)CC1 ZINC000488823704 527446648 /nfs/dbraw/zinc/44/66/48/527446648.db2.gz MCFFPSISSMKVCW-YMAMQOFZSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@@H](CCC)C(C)C ZINC000488825565 388196942 /nfs/dbraw/zinc/19/69/42/388196942.db2.gz YZPZXVNLVXTKMQ-KBPBESRZSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@@H](CCC)C(C)C ZINC000488825567 388197093 /nfs/dbraw/zinc/19/70/93/388197093.db2.gz YZPZXVNLVXTKMQ-KGLIPLIRSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@H](CCC)C(C)C ZINC000488825568 388195883 /nfs/dbraw/zinc/19/58/83/388195883.db2.gz YZPZXVNLVXTKMQ-UONOGXRCSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@H](CCC)C(C)C ZINC000488825570 388196116 /nfs/dbraw/zinc/19/61/16/388196116.db2.gz YZPZXVNLVXTKMQ-ZIAGYGMSSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)CC1CCCCC1 ZINC000488825919 388196517 /nfs/dbraw/zinc/19/65/17/388196517.db2.gz OLPAEDKOEFDEIS-AWEZNQCLSA-N 0 0 235.371 3.524 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)CC1CCCCC1 ZINC000488825920 527446845 /nfs/dbraw/zinc/44/68/45/527446845.db2.gz OLPAEDKOEFDEIS-CQSZACIVSA-N 0 0 235.371 3.524 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000488825930 388197004 /nfs/dbraw/zinc/19/70/04/388197004.db2.gz OMSPGRAZDURVJS-CBBWQLFWSA-N 0 0 249.398 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C1C[C@@H](C)C[C@H](C)C1 ZINC000488825931 388196617 /nfs/dbraw/zinc/19/66/17/388196617.db2.gz OMSPGRAZDURVJS-KCQAQPDRSA-N 0 0 249.398 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C1C[C@H](C)C[C@@H](C)C1 ZINC000488825932 388196938 /nfs/dbraw/zinc/19/69/38/388196938.db2.gz OMSPGRAZDURVJS-UMVBOHGHSA-N 0 0 249.398 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000488825933 527603432 /nfs/dbraw/zinc/60/34/32/527603432.db2.gz OMSPGRAZDURVJS-YJNKXOJESA-N 0 0 249.398 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)c1cc(C)c(C)s1 ZINC000488827958 388196729 /nfs/dbraw/zinc/19/67/29/388196729.db2.gz BGPQSUZPWAIOPT-GFCCVEGCSA-N 0 0 249.379 3.546 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)c1cc(C)c(C)s1 ZINC000488827959 388196603 /nfs/dbraw/zinc/19/66/03/388196603.db2.gz BGPQSUZPWAIOPT-LBPRGKRZSA-N 0 0 249.379 3.546 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1 ZINC000488833320 388196706 /nfs/dbraw/zinc/19/67/06/388196706.db2.gz UCGCLEFAHZNLHL-CYBMUJFWSA-N 0 0 249.741 3.521 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1 ZINC000488833321 388196573 /nfs/dbraw/zinc/19/65/73/388196573.db2.gz UCGCLEFAHZNLHL-ZDUSSCGKSA-N 0 0 249.741 3.521 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)CC(C)(C)CCC ZINC000488833337 527446660 /nfs/dbraw/zinc/44/66/60/527446660.db2.gz UEKBCMWRZQACDN-CYBMUJFWSA-N 0 0 237.387 3.770 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)CC(C)(C)CCC ZINC000488833338 527597093 /nfs/dbraw/zinc/59/70/93/527597093.db2.gz UEKBCMWRZQACDN-ZDUSSCGKSA-N 0 0 237.387 3.770 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@H]1CC[C@H](CC)CC1 ZINC000488835022 388197013 /nfs/dbraw/zinc/19/70/13/388197013.db2.gz HWKIDMGLACUNLZ-KKUMJFAQSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@H]1CC[C@H](CC)CC1 ZINC000488835025 388196940 /nfs/dbraw/zinc/19/69/40/388196940.db2.gz HWKIDMGLACUNLZ-RBSFLKMASA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)CCC1CCCCC1 ZINC000488838930 388196778 /nfs/dbraw/zinc/19/67/78/388196778.db2.gz MWMSWVZOYILMJR-HNNXBMFYSA-N 0 0 249.398 3.914 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)CCC1CCCCC1 ZINC000488838931 388196766 /nfs/dbraw/zinc/19/67/66/388196766.db2.gz MWMSWVZOYILMJR-OAHLLOKOSA-N 0 0 249.398 3.914 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)c1cccc(Cl)c1 ZINC000488851326 388197654 /nfs/dbraw/zinc/19/76/54/388197654.db2.gz GEKHEXNFYOEIHS-CYBMUJFWSA-N 0 0 249.741 3.521 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)c1cccc(Cl)c1 ZINC000488851328 388197258 /nfs/dbraw/zinc/19/72/58/388197258.db2.gz GEKHEXNFYOEIHS-ZDUSSCGKSA-N 0 0 249.741 3.521 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@@H](C)CC1CCCC1 ZINC000488857949 527454407 /nfs/dbraw/zinc/45/44/07/527454407.db2.gz COCBDMPPXQLMBL-DZGCQCFKSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@H](C)CC1CCCC1 ZINC000488857952 388197498 /nfs/dbraw/zinc/19/74/98/388197498.db2.gz COCBDMPPXQLMBL-HIFRSBDPSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)[C@H](C)CC1CCCC1 ZINC000488857953 388197762 /nfs/dbraw/zinc/19/77/62/388197762.db2.gz COCBDMPPXQLMBL-UKRRQHHQSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)[C@@H](C)CC1CCCC1 ZINC000488857955 388197567 /nfs/dbraw/zinc/19/75/67/388197567.db2.gz COCBDMPPXQLMBL-ZFWWWQNUSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)C1CCCCCC1 ZINC000488862728 388197473 /nfs/dbraw/zinc/19/74/73/388197473.db2.gz XAGAXWMCKKYXSZ-AWEZNQCLSA-N 0 0 235.371 3.524 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C1CCCCCC1 ZINC000488862730 388197836 /nfs/dbraw/zinc/19/78/36/388197836.db2.gz XAGAXWMCKKYXSZ-CQSZACIVSA-N 0 0 235.371 3.524 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)C[C@H](CC)C(C)C ZINC000488870825 527598571 /nfs/dbraw/zinc/59/85/71/527598571.db2.gz PAACSVLTAFFMJR-KBPBESRZSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)C[C@@H](CC)C(C)C ZINC000488871026 388197771 /nfs/dbraw/zinc/19/77/71/388197771.db2.gz PAACSVLTAFFMJR-KGLIPLIRSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C[C@H](CC)C(C)C ZINC000488871027 388197747 /nfs/dbraw/zinc/19/77/47/388197747.db2.gz PAACSVLTAFFMJR-UONOGXRCSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C[C@@H](CC)C(C)C ZINC000488871028 388197667 /nfs/dbraw/zinc/19/76/67/388197667.db2.gz PAACSVLTAFFMJR-ZIAGYGMSSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)CCCC1CCCC1 ZINC000488874222 388197750 /nfs/dbraw/zinc/19/77/50/388197750.db2.gz DDPXRMSKENFYDS-HNNXBMFYSA-N 0 0 249.398 3.914 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)CCCC1CCCC1 ZINC000488874223 527447391 /nfs/dbraw/zinc/44/73/91/527447391.db2.gz DDPXRMSKENFYDS-OAHLLOKOSA-N 0 0 249.398 3.914 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)CCCC(C)(C)C ZINC000488878435 517342486 /nfs/dbraw/zinc/34/24/86/517342486.db2.gz KAECRCOXIOHWDB-CYBMUJFWSA-N 0 0 237.387 3.770 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)CCCC(C)(C)C ZINC000488878436 388198483 /nfs/dbraw/zinc/19/84/83/388198483.db2.gz KAECRCOXIOHWDB-ZDUSSCGKSA-N 0 0 237.387 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000488878896 388198559 /nfs/dbraw/zinc/19/85/59/388198559.db2.gz QTZDCJHSBRKSJT-QLFBSQMISA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000488878898 527448657 /nfs/dbraw/zinc/44/86/57/527448657.db2.gz QTZDCJHSBRKSJT-RBSFLKMASA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000488878900 388198303 /nfs/dbraw/zinc/19/83/03/388198303.db2.gz QTZDCJHSBRKSJT-RRFJBIMHSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C[C@H]1CCC[C@H](C)C1 ZINC000488878902 527448352 /nfs/dbraw/zinc/44/83/52/527448352.db2.gz QTZDCJHSBRKSJT-SOUVJXGZSA-N 0 0 249.398 3.770 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)C(C)(C)C ZINC000488879402 388198289 /nfs/dbraw/zinc/19/82/89/388198289.db2.gz LWXPNEMZUPNYGU-CHWSQXEVSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)C[C@@H](C)C(C)(C)C ZINC000488879403 388198542 /nfs/dbraw/zinc/19/85/42/388198542.db2.gz LWXPNEMZUPNYGU-OLZOCXBDSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C[C@H](C)C(C)(C)C ZINC000488879404 388198199 /nfs/dbraw/zinc/19/81/99/388198199.db2.gz LWXPNEMZUPNYGU-QWHCGFSZSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)C[C@H](C)C(C)(C)C ZINC000488879405 388198440 /nfs/dbraw/zinc/19/84/40/388198440.db2.gz LWXPNEMZUPNYGU-STQMWFEESA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)C[C@@H](C)CC(C)C ZINC000488879769 388198140 /nfs/dbraw/zinc/19/81/40/388198140.db2.gz SCIVRNHFHPOKRZ-KBPBESRZSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)C[C@H](C)CC(C)C ZINC000488879771 527598218 /nfs/dbraw/zinc/59/82/18/527598218.db2.gz SCIVRNHFHPOKRZ-KGLIPLIRSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C[C@@H](C)CC(C)C ZINC000488879772 388198417 /nfs/dbraw/zinc/19/84/17/388198417.db2.gz SCIVRNHFHPOKRZ-UONOGXRCSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)C[C@H](C)CC(C)C ZINC000488879773 527448201 /nfs/dbraw/zinc/44/82/01/527448201.db2.gz SCIVRNHFHPOKRZ-ZIAGYGMSSA-N 0 0 237.387 3.626 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)CC1CCCCCC1 ZINC000488880338 527597162 /nfs/dbraw/zinc/59/71/62/527597162.db2.gz QJPYKIVLQRCZBE-HNNXBMFYSA-N 0 0 249.398 3.914 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)CC1CCCCCC1 ZINC000488880339 388198285 /nfs/dbraw/zinc/19/82/85/388198285.db2.gz QJPYKIVLQRCZBE-OAHLLOKOSA-N 0 0 249.398 3.914 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)c1csc(C)c1C ZINC000488880435 388196443 /nfs/dbraw/zinc/19/64/43/388196443.db2.gz LTZFAUQOYCZYBC-GFCCVEGCSA-N 0 0 249.379 3.546 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)c1csc(C)c1C ZINC000488880436 388196526 /nfs/dbraw/zinc/19/65/26/388196526.db2.gz LTZFAUQOYCZYBC-LBPRGKRZSA-N 0 0 249.379 3.546 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)CC1(C)CCCCC1 ZINC000488884800 388198364 /nfs/dbraw/zinc/19/83/64/388198364.db2.gz YXXJLOLKWTYVMU-AWEZNQCLSA-N 0 0 249.398 3.914 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)CC1(C)CCCCC1 ZINC000488884802 527447594 /nfs/dbraw/zinc/44/75/94/527447594.db2.gz YXXJLOLKWTYVMU-CQSZACIVSA-N 0 0 249.398 3.914 20 30 BHEDRN C=C[C@H]1CCCCN1C(=O)CCC1CCCC1 ZINC000488887875 388198566 /nfs/dbraw/zinc/19/85/66/388198566.db2.gz ZTTHTZMDXVKYBN-AWEZNQCLSA-N 0 0 235.371 3.524 20 30 BHEDRN C=C[C@@H]1CCCCN1C(=O)CCC1CCCC1 ZINC000488887878 388198479 /nfs/dbraw/zinc/19/84/79/388198479.db2.gz ZTTHTZMDXVKYBN-CQSZACIVSA-N 0 0 235.371 3.524 20 30 BHEDRN C=CCCCCCN1CCCC(C)(C)[C@@H]1C#N ZINC000488965593 388199955 /nfs/dbraw/zinc/19/99/55/388199955.db2.gz MBMISEFJITUMEB-AWEZNQCLSA-N 0 0 234.387 3.747 20 30 BHEDRN C=CCCCCCN1CCCC(C)(C)[C@H]1C#N ZINC000488965594 388200141 /nfs/dbraw/zinc/20/01/41/388200141.db2.gz MBMISEFJITUMEB-CQSZACIVSA-N 0 0 234.387 3.747 20 30 BHEDRN C=CCCCCCN(C)C(=O)C[C@H]1C=CCCC1 ZINC000488984344 388201232 /nfs/dbraw/zinc/20/12/32/388201232.db2.gz PSDMMBSJVZBJEF-HNNXBMFYSA-N 0 0 249.398 3.938 20 30 BHEDRN C=CCCCCCN(C)C(=O)C[C@@H]1C=CCCC1 ZINC000488984345 388200586 /nfs/dbraw/zinc/20/05/86/388200586.db2.gz PSDMMBSJVZBJEF-OAHLLOKOSA-N 0 0 249.398 3.938 20 30 BHEDRN C=C(C)CN(C)c1cccc(OC(F)(F)F)c1 ZINC000489126313 388204063 /nfs/dbraw/zinc/20/40/63/388204063.db2.gz HRJRFNNBGXEQIQ-UHFFFAOYSA-N 0 0 245.244 3.598 20 30 BHEDRN CC(C)(C)C[C@@H]1CCCN1c1ccc(C#N)cc1 ZINC000489175257 388682030 /nfs/dbraw/zinc/68/20/30/388682030.db2.gz LFPHSQDTERQCTI-HNNXBMFYSA-N 0 0 242.366 3.963 20 30 BHEDRN CC(C)(C)C[C@H]1CCCN1c1ccc(C#N)cc1 ZINC000489175258 388681975 /nfs/dbraw/zinc/68/19/75/388681975.db2.gz LFPHSQDTERQCTI-OAHLLOKOSA-N 0 0 242.366 3.963 20 30 BHEDRN C=CCCCC(=O)N1CCC[C@@H]1CCCCC ZINC000489300043 388207650 /nfs/dbraw/zinc/20/76/50/388207650.db2.gz UIRUEIDHJOIIHO-AWEZNQCLSA-N 0 0 237.387 3.914 20 30 BHEDRN C=CCCCC(=O)N1CCC[C@H]1CCCCC ZINC000489300044 527103258 /nfs/dbraw/zinc/10/32/58/527103258.db2.gz UIRUEIDHJOIIHO-CQSZACIVSA-N 0 0 237.387 3.914 20 30 BHEDRN C=CCCC(=O)N1CCC[C@H]1CCCCC ZINC000489301753 388207417 /nfs/dbraw/zinc/20/74/17/388207417.db2.gz SFOJNBBTSUWLJD-CYBMUJFWSA-N 0 0 223.360 3.524 20 30 BHEDRN C=CCCC(=O)N1CCC[C@@H]1CCCCC ZINC000489301755 388207549 /nfs/dbraw/zinc/20/75/49/388207549.db2.gz SFOJNBBTSUWLJD-ZDUSSCGKSA-N 0 0 223.360 3.524 20 30 BHEDRN C=C[C@@H]1CCCCN1Cc1ccc(F)c(F)c1 ZINC000489407426 388211434 /nfs/dbraw/zinc/21/14/34/388211434.db2.gz UJOIDVWNSGCPNO-GFCCVEGCSA-N 0 0 237.293 3.505 20 30 BHEDRN C=C[C@H]1CCCCN1Cc1ccc(F)c(F)c1 ZINC000489407443 388211430 /nfs/dbraw/zinc/21/14/30/388211430.db2.gz UJOIDVWNSGCPNO-LBPRGKRZSA-N 0 0 237.293 3.505 20 30 BHEDRN C=C[C@H]1CCCCN1Cc1cc(F)cc(F)c1 ZINC000489407500 388211410 /nfs/dbraw/zinc/21/14/10/388211410.db2.gz PXEPMDZKBZTFET-AWEZNQCLSA-N 0 0 237.293 3.505 20 30 BHEDRN C=C[C@@H]1CCCCN1Cc1cc(F)cc(F)c1 ZINC000489407501 388211365 /nfs/dbraw/zinc/21/13/65/388211365.db2.gz PXEPMDZKBZTFET-CQSZACIVSA-N 0 0 237.293 3.505 20 30 BHEDRN C=C[C@@H]1CCCCN1Cc1c(F)cccc1F ZINC000489421499 388212637 /nfs/dbraw/zinc/21/26/37/388212637.db2.gz CMAXJWWCUDSIGO-LLVKDONJSA-N 0 0 237.293 3.505 20 30 BHEDRN C=C[C@H]1CCCCN1Cc1c(F)cccc1F ZINC000489421500 388212900 /nfs/dbraw/zinc/21/29/00/388212900.db2.gz CMAXJWWCUDSIGO-NSHDSACASA-N 0 0 237.293 3.505 20 30 BHEDRN C=C[C@@H]1CCCCN1Cc1ncc(C(C)(C)C)o1 ZINC000489445000 388215433 /nfs/dbraw/zinc/21/54/33/388215433.db2.gz KXTPRAUEQKSFFF-GFCCVEGCSA-N 0 0 248.370 3.513 20 30 BHEDRN C=C[C@H]1CCCCN1Cc1ncc(C(C)(C)C)o1 ZINC000489445003 388214410 /nfs/dbraw/zinc/21/44/10/388214410.db2.gz KXTPRAUEQKSFFF-LBPRGKRZSA-N 0 0 248.370 3.513 20 30 BHEDRN C=C[C@@H]1CCCCN1Cc1ccc(F)cc1F ZINC000489460789 388216608 /nfs/dbraw/zinc/21/66/08/388216608.db2.gz HNYPJBHWPVKONY-CYBMUJFWSA-N 0 0 237.293 3.505 20 30 BHEDRN C=C[C@H]1CCCCN1Cc1ccc(F)cc1F ZINC000489460791 388215753 /nfs/dbraw/zinc/21/57/53/388215753.db2.gz HNYPJBHWPVKONY-ZDUSSCGKSA-N 0 0 237.293 3.505 20 30 BHEDRN C=C[C@@H]1CCCCN1Cc1cc(F)ccc1F ZINC000489465839 388215835 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GQDKZCXXCIXXAG-QWHCGFSZSA-N 0 0 237.387 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@H]1CCC[C@H](C)C1 ZINC000489711837 388223361 /nfs/dbraw/zinc/22/33/61/388223361.db2.gz GQDKZCXXCIXXAG-STQMWFEESA-N 0 0 237.387 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)CCC1CCCC1 ZINC000489732842 388223782 /nfs/dbraw/zinc/22/37/82/388223782.db2.gz HTVKMOWOTVYXOY-UHFFFAOYSA-N 0 0 237.387 3.675 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@@H]1CC2CCC1CC2 ZINC000489733596 527011485 /nfs/dbraw/zinc/01/14/85/527011485.db2.gz LMFVCUQVCYVGOQ-JXQTWKCFSA-N 0 0 249.398 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@H]1CC2CCC1CC2 ZINC000489733598 388224592 /nfs/dbraw/zinc/22/45/92/388224592.db2.gz LMFVCUQVCYVGOQ-RUXDESIVSA-N 0 0 249.398 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)CCCC(C)(C)C ZINC000489742861 527001507 /nfs/dbraw/zinc/00/15/07/527001507.db2.gz QSPHIYGENXMCRT-UHFFFAOYSA-N 0 0 239.403 3.921 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C1(CC(C)C)CC1 ZINC000489743791 526999957 /nfs/dbraw/zinc/99/99/57/526999957.db2.gz SWJKTIYWJWCLRG-UHFFFAOYSA-N 0 0 237.387 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@H](CC)CCCC ZINC000489745744 388224509 /nfs/dbraw/zinc/22/45/09/388224509.db2.gz XGWKUALDMXIFBE-CYBMUJFWSA-N 0 0 239.403 3.921 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@@H](CC)CCCC ZINC000489745745 388224333 /nfs/dbraw/zinc/22/43/33/388224333.db2.gz XGWKUALDMXIFBE-ZDUSSCGKSA-N 0 0 239.403 3.921 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C(C)(C)C(C)(C)C ZINC000489745765 388224091 /nfs/dbraw/zinc/22/40/91/388224091.db2.gz XMZPLZVIIWVURQ-UHFFFAOYSA-N 0 0 239.403 3.777 20 30 BHEDRN C=CCC(C)(C)CNC(=O)CC1CCCCC1 ZINC000489766780 388224137 /nfs/dbraw/zinc/22/41/37/388224137.db2.gz KUFKCSBLMUYGGQ-UHFFFAOYSA-N 0 0 237.387 3.675 20 30 BHEDRN C=C[C@@H](C)NC(=O)Nc1ccc(C2CCC2)cc1 ZINC000489784341 388224519 /nfs/dbraw/zinc/22/45/19/388224519.db2.gz XIHZWACVBPITAQ-LLVKDONJSA-N 0 0 244.338 3.650 20 30 BHEDRN C=C[C@H](C)NC(=O)Nc1ccc(C2CCC2)cc1 ZINC000489784342 388224402 /nfs/dbraw/zinc/22/44/02/388224402.db2.gz XIHZWACVBPITAQ-NSHDSACASA-N 0 0 244.338 3.650 20 30 BHEDRN C=C(C)CNC(=O)Nc1ccc(C2CCC2)cc1 ZINC000489809417 526619465 /nfs/dbraw/zinc/61/94/65/526619465.db2.gz OZCNGYVIMXKREC-UHFFFAOYSA-N 0 0 244.338 3.652 20 30 BHEDRN C=CCC(C)(C)CNC(=O)CC(CC)CC ZINC000489821765 388225403 /nfs/dbraw/zinc/22/54/03/388225403.db2.gz AMRQBQZYJQPRHH-UHFFFAOYSA-N 0 0 225.376 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)CC1(C)CCCC1 ZINC000489824968 388225155 /nfs/dbraw/zinc/22/51/55/388225155.db2.gz KXNFDCBUXWSJEQ-UHFFFAOYSA-N 0 0 237.387 3.675 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@H](C)CCCC ZINC000489856857 388226009 /nfs/dbraw/zinc/22/60/09/388226009.db2.gz HXWBFQPLVNNTKY-GFCCVEGCSA-N 0 0 225.376 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@@H](C)CCCC ZINC000489856858 388226335 /nfs/dbraw/zinc/22/63/35/388226335.db2.gz HXWBFQPLVNNTKY-LBPRGKRZSA-N 0 0 225.376 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C[C@H](C)CCC ZINC000489861206 388226557 /nfs/dbraw/zinc/22/65/57/388226557.db2.gz UJVQSVPVFOJPAY-GFCCVEGCSA-N 0 0 225.376 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C[C@@H](C)CCC ZINC000489861208 388226093 /nfs/dbraw/zinc/22/60/93/388226093.db2.gz UJVQSVPVFOJPAY-LBPRGKRZSA-N 0 0 225.376 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)c1ccc(CC)cc1 ZINC000489862617 388225995 /nfs/dbraw/zinc/22/59/95/388225995.db2.gz VUQRRWJQIZFWLV-UHFFFAOYSA-N 0 0 245.366 3.581 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C1(CCC)CCC1 ZINC000489862808 388225899 /nfs/dbraw/zinc/22/58/99/388225899.db2.gz YGKDTLZZPNAGNV-UHFFFAOYSA-N 0 0 237.387 3.675 20 30 BHEDRN C=CCC(C)(C)CNC(=O)CC(C)(C)CC ZINC000489889365 388226796 /nfs/dbraw/zinc/22/67/96/388226796.db2.gz WDBPRSFCJRPNOI-UHFFFAOYSA-N 0 0 225.376 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C(CCC)CCC ZINC000489903977 388228303 /nfs/dbraw/zinc/22/83/03/388228303.db2.gz AUXNPWUZNYDFTL-UHFFFAOYSA-N 0 0 239.403 3.921 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C1=CCCCCC1 ZINC000489906088 388228356 /nfs/dbraw/zinc/22/83/56/388228356.db2.gz JHWDNTXFRPCHRI-UHFFFAOYSA-N 0 0 235.371 3.595 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C1(CC)CCCC1 ZINC000489909453 388228256 /nfs/dbraw/zinc/22/82/56/388228256.db2.gz QFUPOKDTEXJVAU-UHFFFAOYSA-N 0 0 237.387 3.675 20 30 BHEDRN C=CCC(C)(C)CNC(=O)CC(C)(C)C1CC1 ZINC000489911253 388228441 /nfs/dbraw/zinc/22/84/41/388228441.db2.gz ZFOIWMKPJBLSLL-UHFFFAOYSA-N 0 0 237.387 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C(C)(C)CC(C)C ZINC000489931656 388228608 /nfs/dbraw/zinc/22/86/08/388228608.db2.gz GJSXBPSXWWEYKN-UHFFFAOYSA-N 0 0 239.403 3.777 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@H]1CC12CCCCC2 ZINC000489933047 388229361 /nfs/dbraw/zinc/22/93/61/388229361.db2.gz IWFFXAVRYBERFP-CYBMUJFWSA-N 0 0 249.398 3.675 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@@H]1CC12CCCCC2 ZINC000489933048 527011057 /nfs/dbraw/zinc/01/10/57/527011057.db2.gz IWFFXAVRYBERFP-ZDUSSCGKSA-N 0 0 249.398 3.675 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C[C@@H](C)C(C)(C)C ZINC000489940423 388229056 /nfs/dbraw/zinc/22/90/56/388229056.db2.gz HLSBXWSHAYTZTR-GFCCVEGCSA-N 0 0 239.403 3.777 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C[C@H](C)C(C)(C)C ZINC000489940425 388228679 /nfs/dbraw/zinc/22/86/79/388228679.db2.gz HLSBXWSHAYTZTR-LBPRGKRZSA-N 0 0 239.403 3.777 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000489943597 388229305 /nfs/dbraw/zinc/22/93/05/388229305.db2.gz UKIUNTZTBLKHSG-CHWSQXEVSA-N 0 0 237.387 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000489943598 388228991 /nfs/dbraw/zinc/22/89/91/388228991.db2.gz UKIUNTZTBLKHSG-OLZOCXBDSA-N 0 0 237.387 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000489943600 388229040 /nfs/dbraw/zinc/22/90/40/388229040.db2.gz UKIUNTZTBLKHSG-QWHCGFSZSA-N 0 0 237.387 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C[C@H]1CC[C@H](C)C1 ZINC000489943601 388228667 /nfs/dbraw/zinc/22/86/67/388228667.db2.gz UKIUNTZTBLKHSG-STQMWFEESA-N 0 0 237.387 3.531 20 30 BHEDRN C=CCC(C)(C)CNC(=O)c1cc(C)cc(C)c1 ZINC000489963718 388229882 /nfs/dbraw/zinc/22/98/82/388229882.db2.gz FYIOJYCSCBRMDL-UHFFFAOYSA-N 0 0 245.366 3.636 20 30 BHEDRN C=CCC(C)(C)CNC(=O)C[C@H]1CCC[C@H]1C ZINC000489964137 527002991 /nfs/dbraw/zinc/00/29/91/527002991.db2.gz 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C=C(C)CNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000490026428 526613378 /nfs/dbraw/zinc/61/33/78/526613378.db2.gz NWFLPVTZCUCXCD-CHWSQXEVSA-N 0 0 237.387 3.531 20 30 BHEDRN C=C(C)CNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000490026429 388231130 /nfs/dbraw/zinc/23/11/30/388231130.db2.gz NWFLPVTZCUCXCD-OLZOCXBDSA-N 0 0 237.387 3.531 20 30 BHEDRN C=C(C)CNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000490026430 388231621 /nfs/dbraw/zinc/23/16/21/388231621.db2.gz NWFLPVTZCUCXCD-QWHCGFSZSA-N 0 0 237.387 3.531 20 30 BHEDRN C=C(C)CNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000490026431 388231544 /nfs/dbraw/zinc/23/15/44/388231544.db2.gz NWFLPVTZCUCXCD-STQMWFEESA-N 0 0 237.387 3.531 20 30 BHEDRN CC(C)(C#N)CCCN1CCc2cccc(F)c21 ZINC000490030575 527463838 /nfs/dbraw/zinc/46/38/38/527463838.db2.gz ZYZROHFDFVREPT-UHFFFAOYSA-N 0 0 246.329 3.518 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@@](C)(CC)CCC ZINC000490035202 527012757 /nfs/dbraw/zinc/01/27/57/527012757.db2.gz CBGLIAGVYPYCSO-HNNXBMFYSA-N 0 0 239.403 3.921 20 30 BHEDRN 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/nfs/dbraw/zinc/66/91/59/388669159.db2.gz RWSCPQBOUABSDK-UKRRQHHQSA-N 0 0 249.398 3.627 20 30 BHEDRN C=CCN(CC1CCCCC1)C(=O)C[C@@H]1C[C@@H]1C ZINC000521946012 259578696 /nfs/dbraw/zinc/57/86/96/259578696.db2.gz RWSCPQBOUABSDK-ZFWWWQNUSA-N 0 0 249.398 3.627 20 30 BHEDRN C=C[C@@](C)(CC)c1nc(-c2ccccc2C)no1 ZINC000522032635 388675757 /nfs/dbraw/zinc/67/57/57/388675757.db2.gz ISJSLPPQCXIDTE-HNNXBMFYSA-N 0 0 242.322 3.899 20 30 BHEDRN C=C[C@](C)(CC)c1nc(-c2ccccc2C)no1 ZINC000522032639 388675836 /nfs/dbraw/zinc/67/58/36/388675836.db2.gz ISJSLPPQCXIDTE-OAHLLOKOSA-N 0 0 242.322 3.899 20 30 BHEDRN C=CC1CC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC000522083375 324200128 /nfs/dbraw/zinc/20/01/28/324200128.db2.gz RFDJJNGLCUJNMN-GFCCVEGCSA-N 0 0 233.330 3.785 20 30 BHEDRN C=CC1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC000522083376 324200018 /nfs/dbraw/zinc/20/00/18/324200018.db2.gz RFDJJNGLCUJNMN-LBPRGKRZSA-N 0 0 233.330 3.785 20 30 BHEDRN Cc1cc(C#N)ccc1OCc1cccc(F)c1 ZINC000522248546 398308181 /nfs/dbraw/zinc/30/81/81/398308181.db2.gz PDBIHVBRIVDMDI-UHFFFAOYSA-N 0 0 241.265 3.585 20 30 BHEDRN N#Cc1cnc(Oc2cccc(F)c2)c(Cl)c1 ZINC000522272169 398308178 /nfs/dbraw/zinc/30/81/78/398308178.db2.gz ZDIMSAFGSAKDLP-UHFFFAOYSA-N 0 0 248.644 3.538 20 30 BHEDRN C=CCSCCCOc1ccc(C)c(C)c1 ZINC000522282434 388746226 /nfs/dbraw/zinc/74/62/26/388746226.db2.gz FOJRVLPTXCJVNH-UHFFFAOYSA-N 0 0 236.380 3.992 20 30 BHEDRN C=CCSCc1csc(CCCC)n1 ZINC000522282446 259629840 /nfs/dbraw/zinc/62/98/40/259629840.db2.gz GOLLQOFGXNSOJD-UHFFFAOYSA-N 0 0 227.398 3.905 20 30 BHEDRN C=CCSCCOc1c(C)cccc1C ZINC000522282734 259629818 /nfs/dbraw/zinc/62/98/18/259629818.db2.gz GBYCEDAVWRSJKL-UHFFFAOYSA-N 0 0 222.353 3.601 20 30 BHEDRN C=CCSCCOc1cccc(Cl)c1 ZINC000522282929 388746149 /nfs/dbraw/zinc/74/61/49/388746149.db2.gz CBWLYMINRWMIEO-UHFFFAOYSA-N 0 0 228.744 3.638 20 30 BHEDRN C=CCSCCOc1cc(C)ccc1C ZINC000522282974 388745949 /nfs/dbraw/zinc/74/59/49/388745949.db2.gz KFSXQJDUEPBFOE-UHFFFAOYSA-N 0 0 222.353 3.601 20 30 BHEDRN C=CCSCc1cccc(OC(C)C)c1 ZINC000522283031 388746315 /nfs/dbraw/zinc/74/63/15/388746315.db2.gz RTIOUAFBYUWMPS-UHFFFAOYSA-N 0 0 222.353 3.893 20 30 BHEDRN C=CCS[C@H](C)c1c(F)cccc1F ZINC000522283051 259630145 /nfs/dbraw/zinc/63/01/45/259630145.db2.gz UTSNBTKONPHAEY-MRVPVSSYSA-N 0 0 214.280 3.945 20 30 BHEDRN C=CCS[C@@H](C)c1c(F)cccc1F ZINC000522283052 388745811 /nfs/dbraw/zinc/74/58/11/388745811.db2.gz UTSNBTKONPHAEY-QMMMGPOBSA-N 0 0 214.280 3.945 20 30 BHEDRN C=CCSCCCOc1ccccc1C ZINC000522283244 388746206 /nfs/dbraw/zinc/74/62/06/388746206.db2.gz LCNRPJIUFDJNLO-UHFFFAOYSA-N 0 0 222.353 3.683 20 30 BHEDRN C=CCSCc1cccc(OC(F)F)c1 ZINC000522283344 259630183 /nfs/dbraw/zinc/63/01/83/259630183.db2.gz YRZGARUBKUQKEX-UHFFFAOYSA-N 0 0 230.279 3.707 20 30 BHEDRN C=CCSCCCOc1c(C)cccc1C ZINC000522283415 259630110 /nfs/dbraw/zinc/63/01/10/259630110.db2.gz GJGIAJZTJIOLTF-UHFFFAOYSA-N 0 0 236.380 3.992 20 30 BHEDRN C=CCSCc1cc(Cl)ccc1OC ZINC000522283421 259630394 /nfs/dbraw/zinc/63/03/94/259630394.db2.gz GLNPBJGUKVUDQW-UHFFFAOYSA-N 0 0 228.744 3.768 20 30 BHEDRN C=CCSCc1ccccc1OC(C)C ZINC000522283439 388746187 /nfs/dbraw/zinc/74/61/87/388746187.db2.gz HZSKQVTXQATQTB-UHFFFAOYSA-N 0 0 222.353 3.893 20 30 BHEDRN C=CCNC(=O)[C@@H](CC1CCCCC1)C(C)C ZINC000522363196 388752070 /nfs/dbraw/zinc/75/20/70/388752070.db2.gz XZMVLNCVDNAUJC-AWEZNQCLSA-N 0 0 237.387 3.531 20 30 BHEDRN C=CCNC(=O)[C@H](CC1CCCCC1)C(C)C ZINC000522363197 388751956 /nfs/dbraw/zinc/75/19/56/388751956.db2.gz XZMVLNCVDNAUJC-CQSZACIVSA-N 0 0 237.387 3.531 20 30 BHEDRN C=CCCC(=O)N[C@@H](c1ccccc1)C(C)(C)C ZINC000522474232 388756080 /nfs/dbraw/zinc/75/60/80/388756080.db2.gz LOPSOGMHRRREAK-HNNXBMFYSA-N 0 0 245.366 3.856 20 30 BHEDRN C=CCCC(=O)N[C@H](c1ccccc1)C(C)(C)C ZINC000522474233 388756143 /nfs/dbraw/zinc/75/61/43/388756143.db2.gz LOPSOGMHRRREAK-OAHLLOKOSA-N 0 0 245.366 3.856 20 30 BHEDRN C=CCCC(=O)Nc1nc2ccc(C)cc2s1 ZINC000522484565 388756396 /nfs/dbraw/zinc/75/63/96/388756396.db2.gz UDGPAHYDGUMIID-UHFFFAOYSA-N 0 0 246.335 3.509 20 30 BHEDRN C=CCCC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000522484635 388757333 /nfs/dbraw/zinc/75/73/33/388757333.db2.gz ZCYRSOAKBWTRPR-UHFFFAOYSA-N 0 0 231.339 3.889 20 30 BHEDRN C=CCCC(=O)Nc1cccc(C(C)C)c1 ZINC000522485458 388758238 /nfs/dbraw/zinc/75/82/38/388758238.db2.gz JPJSYERMRVFXPX-UHFFFAOYSA-N 0 0 217.312 3.715 20 30 BHEDRN C=CCCC(=O)N(CCC(C)C)CCC(C)C ZINC000522485619 388757688 /nfs/dbraw/zinc/75/76/88/388757688.db2.gz SXWKZDNHMIMEGP-UHFFFAOYSA-N 0 0 239.403 3.873 20 30 BHEDRN C=CCCC(=O)NC1CCC(CCCC)CC1 ZINC000522538281 388759355 /nfs/dbraw/zinc/75/93/55/388759355.db2.gz AGOSCKSDLGKEEB-UHFFFAOYSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCC(=O)Nc1ccc(OC(C)C)cc1C ZINC000522569242 388761622 /nfs/dbraw/zinc/76/16/22/388761622.db2.gz HRIGSPFOASBKFU-UHFFFAOYSA-N 0 0 247.338 3.687 20 30 BHEDRN C=CCCC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000522569401 259634595 /nfs/dbraw/zinc/63/45/95/259634595.db2.gz NQKWGEPQIXJMCX-BFHYXJOUSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CCCC(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000522569402 388761556 /nfs/dbraw/zinc/76/15/56/388761556.db2.gz NQKWGEPQIXJMCX-HZSPNIEDSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CCCC(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000522569403 388761725 /nfs/dbraw/zinc/76/17/25/388761725.db2.gz NQKWGEPQIXJMCX-MELADBBJSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CCCC(=O)N[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000522569404 388761771 /nfs/dbraw/zinc/76/17/71/388761771.db2.gz NQKWGEPQIXJMCX-MGPQQGTHSA-N 0 0 237.387 3.530 20 30 BHEDRN C=CCCC(=O)Nc1ccc(C)cc1OCCC ZINC000522578253 388763339 /nfs/dbraw/zinc/76/33/39/388763339.db2.gz BXUUNXRHFQTZGA-UHFFFAOYSA-N 0 0 247.338 3.689 20 30 BHEDRN C=CC[C@@H](C)NC(=O)CCCC1CCCCC1 ZINC000522645255 259635869 /nfs/dbraw/zinc/63/58/69/259635869.db2.gz KTJACNIIWQEZIM-CYBMUJFWSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CC[C@H](C)NC(=O)CCCC1CCCCC1 ZINC000522645256 388769157 /nfs/dbraw/zinc/76/91/57/388769157.db2.gz KTJACNIIWQEZIM-ZDUSSCGKSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCCOc1ccc(CC)cc1[N+](=O)[O-] ZINC000522707390 259375616 /nfs/dbraw/zinc/37/56/16/259375616.db2.gz DLWGMAGTGMVIIY-UHFFFAOYSA-N 0 0 235.283 3.502 20 30 BHEDRN C=CCCCOc1c(F)c(F)cc(F)c1F ZINC000522746799 259376962 /nfs/dbraw/zinc/37/69/62/259376962.db2.gz VABNENWWMOMBGD-UHFFFAOYSA-N 0 0 234.192 3.588 20 30 BHEDRN C=CCCCSc1ccc(OC)cc1 ZINC000522747467 259376930 /nfs/dbraw/zinc/37/69/30/259376930.db2.gz GRVHQROCDOBGBO-UHFFFAOYSA-N 0 0 208.326 3.754 20 30 BHEDRN C=CCCCSCc1cccc(OC)c1 ZINC000522748052 259376993 /nfs/dbraw/zinc/37/69/93/259376993.db2.gz MIKOMKAPBRWNSB-UHFFFAOYSA-N 0 0 222.353 3.895 20 30 BHEDRN C=CCCCOc1ccc(C(=O)OC(C)C)cc1 ZINC000522748584 259376960 /nfs/dbraw/zinc/37/69/60/259376960.db2.gz OTFXUHTZUVIZNI-UHFFFAOYSA-N 0 0 248.322 3.597 20 30 BHEDRN C=CCCCSc1nc2cc(C)ccc2[nH]1 ZINC000522748598 259376926 /nfs/dbraw/zinc/37/69/26/259376926.db2.gz PPPCVDCMQJSUJY-UHFFFAOYSA-N 0 0 232.352 3.930 20 30 BHEDRN C=CCCCSCCOc1ccccc1F ZINC000522756104 323091579 /nfs/dbraw/zinc/09/15/79/323091579.db2.gz JJTUUNKUKGGKKN-UHFFFAOYSA-N 0 0 240.343 3.904 20 30 BHEDRN C=CCCCSCCOc1ccc(F)cc1 ZINC000522756297 323091560 /nfs/dbraw/zinc/09/15/60/323091560.db2.gz QPGSKPKENVMKBE-UHFFFAOYSA-N 0 0 240.343 3.904 20 30 BHEDRN C=CCCCSCc1ccccc1[N+](=O)[O-] ZINC000522757379 323091558 /nfs/dbraw/zinc/09/15/58/323091558.db2.gz DHDJPQWPXCQTRX-UHFFFAOYSA-N 0 0 237.324 3.794 20 30 BHEDRN C=CCCCSCc1ccc(F)cc1C#N ZINC000522757577 323091524 /nfs/dbraw/zinc/09/15/24/323091524.db2.gz NARXAYKDFPIYDH-UHFFFAOYSA-N 0 0 235.327 3.897 20 30 BHEDRN C=CCCCN(C)Cc1c(F)cccc1Cl ZINC000522777721 259414348 /nfs/dbraw/zinc/41/43/48/259414348.db2.gz UJOPKEDTJOFZQB-UHFFFAOYSA-N 0 0 241.737 3.877 20 30 BHEDRN C=CCOc1ccc(Cl)c(C(F)(F)F)c1 ZINC000522822812 388630601 /nfs/dbraw/zinc/63/06/01/388630601.db2.gz VLCBSZHFYPYMRL-UHFFFAOYSA-N 0 0 236.620 3.924 20 30 BHEDRN C=CCCCN(C)C(=O)c1ccc(CCC)cc1 ZINC000522947256 388780344 /nfs/dbraw/zinc/78/03/44/388780344.db2.gz VLRKTDMVICOUCK-UHFFFAOYSA-N 0 0 245.366 3.677 20 30 BHEDRN C=CCS[C@H](C)c1ccc(F)c(F)c1 ZINC000522961371 259638324 /nfs/dbraw/zinc/63/83/24/259638324.db2.gz QTNZMYODSFFVPG-MRVPVSSYSA-N 0 0 214.280 3.945 20 30 BHEDRN C=CCS[C@@H](C)c1ccc(F)c(F)c1 ZINC000522961372 259638126 /nfs/dbraw/zinc/63/81/26/259638126.db2.gz QTNZMYODSFFVPG-QMMMGPOBSA-N 0 0 214.280 3.945 20 30 BHEDRN C=CCCC(=O)N(C)[C@@H](C)c1cc(C)ccc1C ZINC000523138760 388800881 /nfs/dbraw/zinc/80/08/81/388800881.db2.gz IIXPTCYNACKGGC-AWEZNQCLSA-N 0 0 245.366 3.789 20 30 BHEDRN C=CCCC(=O)N(C)[C@H](C)c1cc(C)ccc1C ZINC000523138761 259643294 /nfs/dbraw/zinc/64/32/94/259643294.db2.gz IIXPTCYNACKGGC-CQSZACIVSA-N 0 0 245.366 3.789 20 30 BHEDRN C=CCCC(=O)N(CCCC)c1ccccc1 ZINC000523228784 388813123 /nfs/dbraw/zinc/81/31/23/388813123.db2.gz ZAPXPRHENYDPAD-UHFFFAOYSA-N 0 0 231.339 3.786 20 30 BHEDRN C=CCCC(=O)N(CCC)CC1CCCCC1 ZINC000523252341 388812979 /nfs/dbraw/zinc/81/29/79/388812979.db2.gz IEPFQJOSXQQZPR-UHFFFAOYSA-N 0 0 237.387 3.772 20 30 BHEDRN C=CCCC(=O)N(CC)[C@H](C)c1ccc(F)cc1 ZINC000523284132 388814036 /nfs/dbraw/zinc/81/40/36/388814036.db2.gz VGEQXNICHVCSKS-GFCCVEGCSA-N 0 0 249.329 3.701 20 30 BHEDRN C=CCCC(=O)N(CC)[C@@H](C)c1ccc(F)cc1 ZINC000523284133 388814720 /nfs/dbraw/zinc/81/47/20/388814720.db2.gz VGEQXNICHVCSKS-LBPRGKRZSA-N 0 0 249.329 3.701 20 30 BHEDRN C=CCNC(=O)N(CCCCC)CCCCC ZINC000523368589 388834958 /nfs/dbraw/zinc/83/49/58/388834958.db2.gz CWMNINIJDCDYOA-UHFFFAOYSA-N 0 0 240.391 3.564 20 30 BHEDRN C=CCCSCCCc1ccccc1 ZINC000523499808 388844367 /nfs/dbraw/zinc/84/43/67/388844367.db2.gz IZFMNYXTGKNEKK-UHFFFAOYSA-N 0 0 206.354 3.929 20 30 BHEDRN C=CCCCCCN(C)C(=O)CC(C)(C)C ZINC000523513495 388844435 /nfs/dbraw/zinc/84/44/35/388844435.db2.gz HLOUZQVSLCBCNU-UHFFFAOYSA-N 0 0 225.376 3.627 20 30 BHEDRN C=CCCSCCCOc1ccc(F)cc1 ZINC000523520580 388845452 /nfs/dbraw/zinc/84/54/52/388845452.db2.gz YTNKYNPJMWENRW-UHFFFAOYSA-N 0 0 240.343 3.904 20 30 BHEDRN C=CCCSCc1ccc(F)c(F)c1 ZINC000523520838 388845186 /nfs/dbraw/zinc/84/51/86/388845186.db2.gz GCQSPVRYDMRMPC-UHFFFAOYSA-N 0 0 214.280 3.774 20 30 BHEDRN C=CCCSCCOc1ccccc1F ZINC000523521991 388845112 /nfs/dbraw/zinc/84/51/12/388845112.db2.gz OTJZYFSGTKDWPU-UHFFFAOYSA-N 0 0 226.316 3.514 20 30 BHEDRN C=CCCSCCc1ccc(C)cc1 ZINC000523522066 388845361 /nfs/dbraw/zinc/84/53/61/388845361.db2.gz TVFAJHAXWGLVEN-UHFFFAOYSA-N 0 0 206.354 3.847 20 30 BHEDRN C=CCCS[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000523522122 388845033 /nfs/dbraw/zinc/84/50/33/388845033.db2.gz XKUYKJBXRCZGAT-JTQLQIEISA-N 0 0 237.324 3.965 20 30 BHEDRN C=CCCS[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000523522123 388845531 /nfs/dbraw/zinc/84/55/31/388845531.db2.gz XKUYKJBXRCZGAT-SNVBAGLBSA-N 0 0 237.324 3.965 20 30 BHEDRN C=CCCCCCN(C)c1cc(C(C)C)ncn1 ZINC000523535901 363358716 /nfs/dbraw/zinc/35/87/16/363358716.db2.gz RGNRCGLUWZGAIB-UHFFFAOYSA-N 0 0 247.386 3.783 20 30 BHEDRN C=CCCCCC[N@@H+](C)Cc1ccccc1C#N ZINC000523552207 324208277 /nfs/dbraw/zinc/20/82/77/324208277.db2.gz 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OPUJWEBZGZYQRJ-UHFFFAOYSA-N 0 0 242.149 3.538 20 30 BHEDRN C=CCCC(=O)N(Cc1ccccc1)CC(C)C ZINC000523944196 388863966 /nfs/dbraw/zinc/86/39/66/388863966.db2.gz FIPDRUZFMAKCJA-UHFFFAOYSA-N 0 0 245.366 3.637 20 30 BHEDRN C=CCCC(=O)N(CCC(C)C)C1CCCC1 ZINC000523946687 259660518 /nfs/dbraw/zinc/66/05/18/259660518.db2.gz NXPWRMHKBSRJFR-UHFFFAOYSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCCC(=O)Nc1ccc(C(C)C)cc1 ZINC000523955238 411228947 /nfs/dbraw/zinc/22/89/47/411228947.db2.gz BJZCYVDELDHMOV-UHFFFAOYSA-N 0 0 217.312 3.715 20 30 BHEDRN C=CCCC(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000523955417 411229615 /nfs/dbraw/zinc/22/96/15/411229615.db2.gz NWOZUIBIFHFZHX-UHFFFAOYSA-N 0 0 244.121 3.898 20 30 BHEDRN C=CCCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000523958202 398115125 /nfs/dbraw/zinc/11/51/25/398115125.db2.gz RMHIMMILUTYMSN-UHFFFAOYSA-N 0 0 223.703 3.553 20 30 BHEDRN C=CC[C@@H](C)NC(=O)c1ccc(C(C)(C)C)cc1 ZINC000523963075 398115137 /nfs/dbraw/zinc/11/51/37/398115137.db2.gz WFUOMLVBESSBPJ-GFCCVEGCSA-N 0 0 245.366 3.679 20 30 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323196330 /nfs/dbraw/zinc/19/63/30/323196330.db2.gz JJLQDPPIVHIBGG-DOTOQJQBSA-N 0 0 248.329 3.774 20 30 BHEDRN N#Cc1cccc(NC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000536147843 323196281 /nfs/dbraw/zinc/19/62/81/323196281.db2.gz JJLQDPPIVHIBGG-NVXWUHKLSA-N 0 0 248.329 3.774 20 30 BHEDRN N#Cc1cccc(NC[C@H]2C[C@H]2c2ccccc2)c1 ZINC000536147844 323196143 /nfs/dbraw/zinc/19/61/43/323196143.db2.gz JJLQDPPIVHIBGG-WBVHZDCISA-N 0 0 248.329 3.774 20 30 BHEDRN C=CCCc1csc(Cc2ccc(F)cc2)n1 ZINC000536389297 384760953 /nfs/dbraw/zinc/76/09/53/384760953.db2.gz AWZCMSPHPSFANA-UHFFFAOYSA-N 0 0 247.338 3.992 20 30 BHEDRN Cc1cc(C)c(CN(CCC#N)C(C)C)cc1C ZINC000536638724 323199319 /nfs/dbraw/zinc/19/93/19/323199319.db2.gz AEFQNDKNKXDYIZ-UHFFFAOYSA-N 0 0 244.382 3.736 20 30 BHEDRN C=CCSCCOc1ccc(F)cc1Cl ZINC000536670764 323200387 /nfs/dbraw/zinc/20/03/87/323200387.db2.gz GDJNDMUEMVYQPK-UHFFFAOYSA-N 0 0 246.734 3.777 20 30 BHEDRN C[C@H](C#N)C[N@H+](CC1CCC(C)(C)CC1)C1CC1 ZINC000536710327 323201685 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223.297 3.653 20 30 BHEDRN C=C(CC)Cn1ccc(-c2ccc(F)cc2)n1 ZINC000536882933 323889189 /nfs/dbraw/zinc/88/91/89/323889189.db2.gz ZTFSPVWHPBBLAO-UHFFFAOYSA-N 0 0 230.286 3.655 20 30 BHEDRN C=C(CC)CNc1cc(OC)ccc1OC(C)C ZINC000536883319 323888994 /nfs/dbraw/zinc/88/89/94/323888994.db2.gz WEGQYJGTEXODHD-UHFFFAOYSA-N 0 0 249.354 3.861 20 30 BHEDRN C=C(CC)COc1ccc(Cl)cc1[N+](=O)[O-] ZINC000536889771 388081354 /nfs/dbraw/zinc/08/13/54/388081354.db2.gz LIRKTJFSZDJXKB-UHFFFAOYSA-N 0 0 241.674 3.593 20 30 BHEDRN C=C(CC)CN(CCCC)CC(F)(F)F ZINC000536892828 323894349 /nfs/dbraw/zinc/89/43/49/323894349.db2.gz IKNXUYIOEKIWRD-UHFFFAOYSA-N 0 0 223.282 3.617 20 30 BHEDRN C=C(CC)CSc1nnc(SCC)s1 ZINC000536898754 388085514 /nfs/dbraw/zinc/08/55/14/388085514.db2.gz VCWTWSTYHYOCBY-UHFFFAOYSA-N 0 0 246.426 3.708 20 30 BHEDRN C=C(CC)CSc1ncc(C(C)C)n1C ZINC000536899215 388085419 /nfs/dbraw/zinc/08/54/19/388085419.db2.gz BVZYUYSVXIWHCB-UHFFFAOYSA-N 0 0 224.373 3.602 20 30 BHEDRN C=C(CC)CSc1nc2ccccc2[nH]1 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324060762 /nfs/dbraw/zinc/06/07/62/324060762.db2.gz NHHWGPPXIFEWPX-RDBSUJKOSA-N 0 0 237.387 3.674 20 30 BHEDRN CC[C@H]1CCc2ccccc2N1CC1(C#N)CC1 ZINC000537249484 324061181 /nfs/dbraw/zinc/06/11/81/324061181.db2.gz YNTSUADEDRZPNQ-AWEZNQCLSA-N 0 0 240.350 3.522 20 30 BHEDRN CC[C@@H]1CCc2ccccc2N1CC1(C#N)CC1 ZINC000537249499 324060732 /nfs/dbraw/zinc/06/07/32/324060732.db2.gz YNTSUADEDRZPNQ-CQSZACIVSA-N 0 0 240.350 3.522 20 30 BHEDRN N#CC1(CN2CCCCCc3ccccc32)CC1 ZINC000537256102 324060065 /nfs/dbraw/zinc/06/00/65/324060065.db2.gz XVIRBTDJTIXLJR-UHFFFAOYSA-N 0 0 240.350 3.523 20 30 BHEDRN CCC[N@H+](Cc1ccc(C)cc1)CC1(C#N)CC1 ZINC000537258779 324063807 /nfs/dbraw/zinc/06/38/07/324063807.db2.gz IVGZIAOOFCQYES-UHFFFAOYSA-N 0 0 242.366 3.511 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)N(C)[C@H](C)CCC ZINC000537263187 324063982 /nfs/dbraw/zinc/06/39/82/324063982.db2.gz FFIXNKPVCYBVQD-CHWSQXEVSA-N 0 0 240.391 3.561 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)N(C)[C@@H](C)CCC ZINC000537263192 324063758 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HDVIOPDUOFRKPD-NSHDSACASA-N 0 0 207.342 3.919 20 30 BHEDRN C=CCCC(=O)N(CC(C)(C)C)CC(C)(C)C ZINC000538249180 324664708 /nfs/dbraw/zinc/66/47/08/324664708.db2.gz NZNSQLKXLCQJMV-UHFFFAOYSA-N 0 0 239.403 3.873 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)N[C@H](CC)CCC ZINC000538280415 388682403 /nfs/dbraw/zinc/68/24/03/388682403.db2.gz AQGOANWTMQZMDP-CHWSQXEVSA-N 0 0 240.391 3.609 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)N[C@@H](CC)CCC ZINC000538280423 388682149 /nfs/dbraw/zinc/68/21/49/388682149.db2.gz AQGOANWTMQZMDP-OLZOCXBDSA-N 0 0 240.391 3.609 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)N[C@H](CC)CCC ZINC000538280424 324665416 /nfs/dbraw/zinc/66/54/16/324665416.db2.gz AQGOANWTMQZMDP-QWHCGFSZSA-N 0 0 240.391 3.609 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)N[C@@H](CC)CCC ZINC000538280427 388682119 /nfs/dbraw/zinc/68/21/19/388682119.db2.gz AQGOANWTMQZMDP-STQMWFEESA-N 0 0 240.391 3.609 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)Nc1cccc(C)c1 ZINC000538284472 388682608 /nfs/dbraw/zinc/68/26/08/388682608.db2.gz 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237.387 3.818 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)CCC1CCCC1 ZINC000538327636 388685256 /nfs/dbraw/zinc/68/52/56/388685256.db2.gz FDQNASISMREQBJ-ZDUSSCGKSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C[C@H](CC)C(C)C ZINC000538328534 324671018 /nfs/dbraw/zinc/67/10/18/324671018.db2.gz AXSXHIJOUKVDKI-KBPBESRZSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C[C@H](CC)C(C)C ZINC000538328539 388684723 /nfs/dbraw/zinc/68/47/23/388684723.db2.gz AXSXHIJOUKVDKI-KGLIPLIRSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C[C@@H](CC)C(C)C ZINC000538328540 388684852 /nfs/dbraw/zinc/68/48/52/388684852.db2.gz AXSXHIJOUKVDKI-UONOGXRCSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C[C@@H](CC)C(C)C ZINC000538328541 388684391 /nfs/dbraw/zinc/68/43/91/388684391.db2.gz AXSXHIJOUKVDKI-ZIAGYGMSSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C(C)(C)CC(C)C ZINC000538335606 388685263 /nfs/dbraw/zinc/68/52/63/388685263.db2.gz LXWGKXHAEDNOFM-CYBMUJFWSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C(C)(C)CC(C)C ZINC000538335607 324671490 /nfs/dbraw/zinc/67/14/90/324671490.db2.gz LXWGKXHAEDNOFM-ZDUSSCGKSA-N 0 0 239.403 3.920 20 30 BHEDRN Cc1ccccc1CCCSCC1(C#N)CC1 ZINC000538416136 388687233 /nfs/dbraw/zinc/68/72/33/388687233.db2.gz TUSZXKIWFKLTMZ-UHFFFAOYSA-N 0 0 245.391 3.965 20 30 BHEDRN CC#CCNc1ccccc1N(C)C1CCCC1 ZINC000538416150 388686830 /nfs/dbraw/zinc/68/68/30/388686830.db2.gz UQBQDERELWIDCY-UHFFFAOYSA-N 0 0 242.366 3.501 20 30 BHEDRN CC#CCNc1cccc(COC(C)(C)C)c1C ZINC000538418527 324682331 /nfs/dbraw/zinc/68/23/31/324682331.db2.gz KXAIGKYQKVJKBB-UHFFFAOYSA-N 0 0 245.366 3.745 20 30 BHEDRN C=CCCCC(=O)NCC1(C)CCCCCC1 ZINC000538439357 324684853 /nfs/dbraw/zinc/68/48/53/324684853.db2.gz VHMGVQQBIPECSG-UHFFFAOYSA-N 0 0 237.387 3.819 20 30 BHEDRN C=CCN(C(=O)[C@H]1CC[C@H](C)C1)c1ccccc1 ZINC000538449516 324685066 /nfs/dbraw/zinc/68/50/66/324685066.db2.gz CUIRBXHFNNJMKR-KBPBESRZSA-N 0 0 243.350 3.642 20 30 BHEDRN C=CCN(C(=O)[C@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000538449523 324684752 /nfs/dbraw/zinc/68/47/52/324684752.db2.gz CUIRBXHFNNJMKR-KGLIPLIRSA-N 0 0 243.350 3.642 20 30 BHEDRN C=CCN(C(=O)[C@@H]1CC[C@H](C)C1)c1ccccc1 ZINC000538449524 388691225 /nfs/dbraw/zinc/69/12/25/388691225.db2.gz CUIRBXHFNNJMKR-UONOGXRCSA-N 0 0 243.350 3.642 20 30 BHEDRN C=CCN(C(=O)[C@@H]1CC[C@@H](C)C1)c1ccccc1 ZINC000538449525 388691093 /nfs/dbraw/zinc/69/10/93/388691093.db2.gz CUIRBXHFNNJMKR-ZIAGYGMSSA-N 0 0 243.350 3.642 20 30 BHEDRN CC(C)(C#N)CCN1CCCc2cccc(F)c21 ZINC000538466729 324686574 /nfs/dbraw/zinc/68/65/74/324686574.db2.gz OKROCXAJWNDUAQ-UHFFFAOYSA-N 0 0 246.329 3.518 20 30 BHEDRN CC(C)N(CCC(C)(C)C#N)c1ccccc1 ZINC000538467087 388690671 /nfs/dbraw/zinc/69/06/71/388690671.db2.gz XBFADKLTHRQQDN-UHFFFAOYSA-N 0 0 230.355 3.841 20 30 BHEDRN C=CCC[C@H](Nc1cccc(OC)c1)C1CC1 ZINC000538510613 388699778 /nfs/dbraw/zinc/69/97/78/388699778.db2.gz YTUXWISLQANKNV-HNNXBMFYSA-N 0 0 231.339 3.852 20 30 BHEDRN C=CCC[C@@H](Nc1cccc(OC)c1)C1CC1 ZINC000538510614 388699263 /nfs/dbraw/zinc/69/92/63/388699263.db2.gz YTUXWISLQANKNV-OAHLLOKOSA-N 0 0 231.339 3.852 20 30 BHEDRN C=CCC[C@H](Nc1cc(OC)ccc1F)C1CC1 ZINC000538548705 388701659 /nfs/dbraw/zinc/70/16/59/388701659.db2.gz QAMVCAFTFIXQOX-AWEZNQCLSA-N 0 0 249.329 3.991 20 30 BHEDRN C=CCC[C@@H](Nc1cc(OC)ccc1F)C1CC1 ZINC000538548710 388701605 /nfs/dbraw/zinc/70/16/05/388701605.db2.gz QAMVCAFTFIXQOX-CQSZACIVSA-N 0 0 249.329 3.991 20 30 BHEDRN C[C@H]1CC(C)(C)CC[C@@H]1Nc1cnccc1C#N ZINC000538741991 384733008 /nfs/dbraw/zinc/73/30/08/384733008.db2.gz GJILIYCHBCBWDF-AAEUAGOBSA-N 0 0 243.354 3.580 20 30 BHEDRN C[C@@H]1CC(C)(C)CC[C@H]1Nc1cnccc1C#N ZINC000538741992 324751944 /nfs/dbraw/zinc/75/19/44/324751944.db2.gz GJILIYCHBCBWDF-DGCLKSJQSA-N 0 0 243.354 3.580 20 30 BHEDRN C[C@H]1CC(C)(C)CC[C@H]1Nc1cnccc1C#N ZINC000538741993 324752383 /nfs/dbraw/zinc/75/23/83/324752383.db2.gz GJILIYCHBCBWDF-WCQYABFASA-N 0 0 243.354 3.580 20 30 BHEDRN C[C@@H]1CC(C)(C)CC[C@@H]1Nc1cnccc1C#N ZINC000538741994 384732850 /nfs/dbraw/zinc/73/28/50/384732850.db2.gz GJILIYCHBCBWDF-YPMHNXCESA-N 0 0 243.354 3.580 20 30 BHEDRN C=CCCCC(=O)Nc1ccc(CC)c(C)c1 ZINC000538799254 388725680 /nfs/dbraw/zinc/72/56/80/388725680.db2.gz WLNIDOODIMQWIX-UHFFFAOYSA-N 0 0 231.339 3.852 20 30 BHEDRN C=C(C)CSc1cccc(Cl)c1C#N ZINC000538947874 388741979 /nfs/dbraw/zinc/74/19/79/388741979.db2.gz GBCCDOUCLGBMNP-UHFFFAOYSA-N 0 0 223.728 3.880 20 30 BHEDRN C=CCN(C(=O)CCCC1CCCC1)C1CC1 ZINC000539033889 324820203 /nfs/dbraw/zinc/82/02/03/324820203.db2.gz AFMQUTPIJDMTPF-UHFFFAOYSA-N 0 0 235.371 3.524 20 30 BHEDRN C=CCN(C(=O)C[C@@H](C)C1CCCCC1)C1CC1 ZINC000539035464 324820512 /nfs/dbraw/zinc/82/05/12/324820512.db2.gz QWKUFFGNBAJROI-CYBMUJFWSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CCN(C(=O)C[C@H](C)C1CCCCC1)C1CC1 ZINC000539035465 324820529 /nfs/dbraw/zinc/82/05/29/324820529.db2.gz QWKUFFGNBAJROI-ZDUSSCGKSA-N 0 0 249.398 3.770 20 30 BHEDRN C=CCN(C(=O)CCC1CCCCC1)C1CC1 ZINC000539035466 324820613 /nfs/dbraw/zinc/82/06/13/324820613.db2.gz QYDDSNYNLMTVFU-UHFFFAOYSA-N 0 0 235.371 3.524 20 30 BHEDRN C=C(CC)CSCCOc1ccccc1F ZINC000539092758 322908407 /nfs/dbraw/zinc/90/84/07/322908407.db2.gz AAGMVJYDOMRIPS-UHFFFAOYSA-N 0 0 240.343 3.904 20 30 BHEDRN C=C(CC)CSCc1ccc(C#N)cc1F ZINC000539094741 388747617 /nfs/dbraw/zinc/74/76/17/388747617.db2.gz GEARAIYIYKXKIC-UHFFFAOYSA-N 0 0 235.327 3.897 20 30 BHEDRN C=C(CC)CSCc1cc(C#N)ccc1F ZINC000539094780 388748258 /nfs/dbraw/zinc/74/82/58/388748258.db2.gz LLHDHCXEFQBZFJ-UHFFFAOYSA-N 0 0 235.327 3.897 20 30 BHEDRN C=C(CC)CSCc1ccc(C#N)cc1 ZINC000539094781 324824671 /nfs/dbraw/zinc/82/46/71/324824671.db2.gz LSICCYSYLRQQTH-UHFFFAOYSA-N 0 0 217.337 3.758 20 30 BHEDRN C=C(CC)CSCc1ccc([N+](=O)[O-])cc1 ZINC000539094803 324824405 /nfs/dbraw/zinc/82/44/05/324824405.db2.gz NWLKRRFKJXRJHZ-UHFFFAOYSA-N 0 0 237.324 3.794 20 30 BHEDRN C=C(CC)CSCc1nc(C(C)(C)C)no1 ZINC000539094820 388747561 /nfs/dbraw/zinc/74/75/61/388747561.db2.gz QEFJQVIXCGEXRN-UHFFFAOYSA-N 0 0 240.372 3.567 20 30 BHEDRN C=C(CC)CSCc1ccc(C#N)cc1OC ZINC000539094906 324824188 /nfs/dbraw/zinc/82/41/88/324824188.db2.gz BYXBFCGMHWFDCD-UHFFFAOYSA-N 0 0 247.363 3.766 20 30 BHEDRN C=C(CC)CSCCOc1cccc(C#N)c1 ZINC000539095050 324824200 /nfs/dbraw/zinc/82/42/00/324824200.db2.gz NMAKKBDAXXXAMU-UHFFFAOYSA-N 0 0 247.363 3.636 20 30 BHEDRN C=C(CC)CNc1c(C)cccc1OC(F)F ZINC000539095072 322908470 /nfs/dbraw/zinc/90/84/70/322908470.db2.gz BVGNVVIDCLDXHG-UHFFFAOYSA-N 0 0 241.281 3.975 20 30 BHEDRN C=C(CC)Cn1cc(-c2ccc(C)cc2)cn1 ZINC000539095190 324824208 /nfs/dbraw/zinc/82/42/08/324824208.db2.gz BAZHCBHFZCRGPW-UHFFFAOYSA-N 0 0 226.323 3.825 20 30 BHEDRN C=C(CC)CSCc1cccc(C#N)c1 ZINC000539095246 388748222 /nfs/dbraw/zinc/74/82/22/388748222.db2.gz TXAFDOULACBPAX-UHFFFAOYSA-N 0 0 217.337 3.758 20 30 BHEDRN C=C(CC)CNc1ccc2c(c1)C(=O)CCC2 ZINC000539095269 388748254 /nfs/dbraw/zinc/74/82/54/388748254.db2.gz INSDVJHYHAENQV-UHFFFAOYSA-N 0 0 229.323 3.584 20 30 BHEDRN C=C(CC)CNc1ccc(F)cc1OC(F)F ZINC000539095302 388748272 /nfs/dbraw/zinc/74/82/72/388748272.db2.gz WCUAZHPXNYNJLB-UHFFFAOYSA-N 0 0 245.244 3.805 20 30 BHEDRN C=C(CC)CSCc1ccccc1[N+](=O)[O-] ZINC000539095400 388747680 /nfs/dbraw/zinc/74/76/80/388747680.db2.gz ZNSXWRXKBJGPGA-UHFFFAOYSA-N 0 0 237.324 3.794 20 30 BHEDRN C=C(CC)CNc1cc(C#N)ccc1OC(C)C ZINC000539095494 324824674 /nfs/dbraw/zinc/82/46/74/324824674.db2.gz WYWZVAWETCXOEB-UHFFFAOYSA-N 0 0 244.338 3.724 20 30 BHEDRN C=C(CC)COc1cccc(NC(=O)C(C)C)c1 ZINC000539095692 384213085 /nfs/dbraw/zinc/21/30/85/384213085.db2.gz RSICQRZRQJUIIC-UHFFFAOYSA-N 0 0 247.338 3.626 20 30 BHEDRN C=C(CC)COc1ccc(NC(=O)C(C)C)cc1 ZINC000539095756 388747925 /nfs/dbraw/zinc/74/79/25/388747925.db2.gz YCNFUJAHRIUKIS-UHFFFAOYSA-N 0 0 247.338 3.626 20 30 BHEDRN C=C(CC)COc1ccc(F)c2c1C(=O)C[C@@H]2C ZINC000539095863 388747948 /nfs/dbraw/zinc/74/79/48/388747948.db2.gz OGTDPRVOFLOULR-JTQLQIEISA-N 0 0 248.297 3.861 20 30 BHEDRN C=C(CC)COc1ccc(F)c2c1C(=O)C[C@H]2C ZINC000539095867 388748446 /nfs/dbraw/zinc/74/84/46/388748446.db2.gz OGTDPRVOFLOULR-SNVBAGLBSA-N 0 0 248.297 3.861 20 30 BHEDRN C=C(CC)CNc1cccc(NC(=O)C(C)C)c1 ZINC000539096019 388748097 /nfs/dbraw/zinc/74/80/97/388748097.db2.gz YPKXGQFAIUANGV-UHFFFAOYSA-N 0 0 246.354 3.659 20 30 BHEDRN C=C(CC)COc1ccccc1OC(F)F ZINC000539099691 324825016 /nfs/dbraw/zinc/82/50/16/324825016.db2.gz ICNFSPUDVDMXHC-UHFFFAOYSA-N 0 0 228.238 3.633 20 30 BHEDRN C=C(CC)CN(Cc1ccccc1)CC(F)F ZINC000539103518 388748128 /nfs/dbraw/zinc/74/81/28/388748128.db2.gz CSMAXSCOOQRPBQ-UHFFFAOYSA-N 0 0 239.309 3.720 20 30 BHEDRN C=C(CC)CSc1nc2ccccc2o1 ZINC000539111451 324826535 /nfs/dbraw/zinc/82/65/35/324826535.db2.gz DMWUJAMGDGXQQW-UHFFFAOYSA-N 0 0 219.309 3.886 20 30 BHEDRN C=C(CC)CSc1cccc(C#N)c1 ZINC000539113811 388748919 /nfs/dbraw/zinc/74/89/19/388748919.db2.gz NOGCVQORJPRAIK-UHFFFAOYSA-N 0 0 203.310 3.617 20 30 BHEDRN C=C(CC)CSc1ccc2c(c1)OCCO2 ZINC000539113926 324826229 /nfs/dbraw/zinc/82/62/29/324826229.db2.gz CLGBYCVUJSATHS-UHFFFAOYSA-N 0 0 236.336 3.516 20 30 BHEDRN C=C(CC)CSc1ccc(C#N)cc1 ZINC000539115042 324826417 /nfs/dbraw/zinc/82/64/17/324826417.db2.gz QUQDCKXEQCTLNY-UHFFFAOYSA-N 0 0 203.310 3.617 20 30 BHEDRN C=C(CC)CSc1nccc(C(F)(F)F)n1 ZINC000539115936 388749216 /nfs/dbraw/zinc/74/92/16/388749216.db2.gz XDSQLFBSSGLFNM-UHFFFAOYSA-N 0 0 248.273 3.554 20 30 BHEDRN C=C(CC)CSc1ccc(OC)cc1 ZINC000539118563 388749010 /nfs/dbraw/zinc/74/90/10/388749010.db2.gz OODDTKMNLYUBPY-UHFFFAOYSA-N 0 0 208.326 3.754 20 30 BHEDRN C=C(CC)COc1c(F)cccc1Cl ZINC000539118649 388748898 /nfs/dbraw/zinc/74/88/98/388748898.db2.gz UVJORBCQWTUTMF-UHFFFAOYSA-N 0 0 214.667 3.824 20 30 BHEDRN C=C(CC)CSCc1cccc(C#N)c1F ZINC000539248181 324829990 /nfs/dbraw/zinc/82/99/90/324829990.db2.gz MSBIWSLBQSCLPH-UHFFFAOYSA-N 0 0 235.327 3.897 20 30 BHEDRN C=CCCC[C@@H](C)S[C@@H](C)CC(=O)OCC ZINC000539272179 324830371 /nfs/dbraw/zinc/83/03/71/324830371.db2.gz HCOVGKHTYHOEDL-NEPJUHHUSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@H](C)S[C@H](C)CC(=O)OCC ZINC000539272181 388752569 /nfs/dbraw/zinc/75/25/69/388752569.db2.gz HCOVGKHTYHOEDL-NWDGAFQWSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@H](C)S[C@@H](C)CC(=O)OCC ZINC000539272182 324830409 /nfs/dbraw/zinc/83/04/09/324830409.db2.gz HCOVGKHTYHOEDL-RYUDHWBXSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@@H](C)S[C@H](C)CC(=O)OCC ZINC000539272183 388752196 /nfs/dbraw/zinc/75/21/96/388752196.db2.gz HCOVGKHTYHOEDL-VXGBXAGGSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@@H](C)Sc1cc(C#N)ccn1 ZINC000539273014 324830593 /nfs/dbraw/zinc/83/05/93/324830593.db2.gz NGXJZUSKZZMILJ-LLVKDONJSA-N 0 0 232.352 3.790 20 30 BHEDRN C=CCCC[C@H](C)Sc1cc(C#N)ccn1 ZINC000539273023 388751985 /nfs/dbraw/zinc/75/19/85/388751985.db2.gz NGXJZUSKZZMILJ-NSHDSACASA-N 0 0 232.352 3.790 20 30 BHEDRN CCC[C@@H](CN(CC#N)CCC)c1ccccc1 ZINC000539365964 388754767 /nfs/dbraw/zinc/75/47/67/388754767.db2.gz CADTVSZCBGBSAM-INIZCTEOSA-N 0 0 244.382 3.806 20 30 BHEDRN CCC[C@H](CN(CC#N)CCC)c1ccccc1 ZINC000539365966 388755733 /nfs/dbraw/zinc/75/57/33/388755733.db2.gz CADTVSZCBGBSAM-MRXNPFEDSA-N 0 0 244.382 3.806 20 30 BHEDRN CCC[C@H](C)C[N@H+](CCC#N)CCC(C)C ZINC000539398660 388757293 /nfs/dbraw/zinc/75/72/93/388757293.db2.gz IJAARGZNQOMANE-AWEZNQCLSA-N 0 0 224.392 3.684 20 30 BHEDRN CCC[C@@H](C)C[N@H+](CCC#N)CCC(C)C ZINC000539398663 388757264 /nfs/dbraw/zinc/75/72/64/388757264.db2.gz IJAARGZNQOMANE-CQSZACIVSA-N 0 0 224.392 3.684 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)[C@H](C)C(CC)CC ZINC000539431154 388758783 /nfs/dbraw/zinc/75/87/83/388758783.db2.gz WNMDADIYNIRLOH-CHWSQXEVSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)[C@@H](C)C(CC)CC ZINC000539431155 324837791 /nfs/dbraw/zinc/83/77/91/324837791.db2.gz WNMDADIYNIRLOH-OLZOCXBDSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@H](C)C(CC)CC ZINC000539431156 324837786 /nfs/dbraw/zinc/83/77/86/324837786.db2.gz WNMDADIYNIRLOH-QWHCGFSZSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@@H](C)C(CC)CC ZINC000539431157 388758490 /nfs/dbraw/zinc/75/84/90/388758490.db2.gz WNMDADIYNIRLOH-STQMWFEESA-N 0 0 239.403 3.920 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)CCC(C)(C)C ZINC000539431175 324837774 /nfs/dbraw/zinc/83/77/74/324837774.db2.gz WZQDOTKWSTXANT-GFCCVEGCSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)CCC(C)(C)C ZINC000539431176 324837866 /nfs/dbraw/zinc/83/78/66/324837866.db2.gz WZQDOTKWSTXANT-LBPRGKRZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@@H]1CC12CCCCC2 ZINC000539432512 388758418 /nfs/dbraw/zinc/75/84/18/388758418.db2.gz ADBHIDUTOKGEJX-KBPBESRZSA-N 0 0 249.398 3.818 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)[C@@H]1CC12CCCCC2 ZINC000539432515 388758609 /nfs/dbraw/zinc/75/86/09/388758609.db2.gz ADBHIDUTOKGEJX-KGLIPLIRSA-N 0 0 249.398 3.818 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@H]1CC12CCCCC2 ZINC000539432517 324837737 /nfs/dbraw/zinc/83/77/37/324837737.db2.gz ADBHIDUTOKGEJX-UONOGXRCSA-N 0 0 249.398 3.818 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)[C@H]1CC12CCCCC2 ZINC000539432519 324837526 /nfs/dbraw/zinc/83/75/26/324837526.db2.gz ADBHIDUTOKGEJX-ZIAGYGMSSA-N 0 0 249.398 3.818 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C1(CCC)CCC1 ZINC000539435110 388758566 /nfs/dbraw/zinc/75/85/66/388758566.db2.gz CGNRUNNCUUJMQT-CYBMUJFWSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C1(CCC)CCC1 ZINC000539435115 324838249 /nfs/dbraw/zinc/83/82/49/324838249.db2.gz CGNRUNNCUUJMQT-ZDUSSCGKSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1c(C)cccc1C ZINC000539436119 324838626 /nfs/dbraw/zinc/83/86/26/324838626.db2.gz LXLNAPJPLBACTL-AWEZNQCLSA-N 0 0 245.366 3.778 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1c(C)cccc1C ZINC000539436120 388757850 /nfs/dbraw/zinc/75/78/50/388757850.db2.gz LXLNAPJPLBACTL-CQSZACIVSA-N 0 0 245.366 3.778 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C[C@@H](C)CC(C)C ZINC000539437504 324838616 /nfs/dbraw/zinc/83/86/16/324838616.db2.gz ZJMGAASAXHPDPP-KBPBESRZSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C[C@H](C)CC(C)C ZINC000539437506 324838355 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/nfs/dbraw/zinc/83/86/13/324838613.db2.gz UMXRUBRGMBDBRQ-NWDGAFQWSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@H](C)C(C)(C)C ZINC000539441188 324838670 /nfs/dbraw/zinc/83/86/70/324838670.db2.gz UMXRUBRGMBDBRQ-RYUDHWBXSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)[C@@H](C)C(C)(C)C ZINC000539441189 388760791 /nfs/dbraw/zinc/76/07/91/388760791.db2.gz UMXRUBRGMBDBRQ-VXGBXAGGSA-N 0 0 225.376 3.530 20 30 BHEDRN N#CC1(CN(c2ccccc2)C2CCCC2)CC1 ZINC000539451061 388760907 /nfs/dbraw/zinc/76/09/07/388760907.db2.gz PRAPLVZQWGQEPC-UHFFFAOYSA-N 0 0 240.350 3.739 20 30 BHEDRN CC(C)N(CC1(C#N)CC1)c1ccc(Cl)cc1 ZINC000539454646 324839531 /nfs/dbraw/zinc/83/95/31/324839531.db2.gz NDJYUDHYWIUIIF-UHFFFAOYSA-N 0 0 248.757 3.859 20 30 BHEDRN CC#CCNc1cccc(-c2nc(C)cs2)c1 ZINC000539516207 324842657 /nfs/dbraw/zinc/84/26/57/324842657.db2.gz JKMPUUSICOAKOU-UHFFFAOYSA-N 0 0 242.347 3.554 20 30 BHEDRN CCOc1ccccc1CSCC1(C#N)CC1 ZINC000539519659 324842864 /nfs/dbraw/zinc/84/28/64/324842864.db2.gz 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20 30 BHEDRN C=C(C)CN(CC)C(=O)[C@@H](C)CCC(C)(C)C ZINC000544401871 325141596 /nfs/dbraw/zinc/14/15/96/325141596.db2.gz WDGXXCAAKDNAEN-ZDUSSCGKSA-N 0 0 239.403 3.873 20 30 BHEDRN CCC(C)(C)OCc1ccccc1N[C@H](C)C#N ZINC000544410020 325141266 /nfs/dbraw/zinc/14/12/66/325141266.db2.gz ZWNQHXZOTFFIGZ-GFCCVEGCSA-N 0 0 246.354 3.716 20 30 BHEDRN CCC(C)(C)OCc1ccccc1N[C@@H](C)C#N ZINC000544410021 325141677 /nfs/dbraw/zinc/14/16/77/325141677.db2.gz ZWNQHXZOTFFIGZ-LBPRGKRZSA-N 0 0 246.354 3.716 20 30 BHEDRN C=CCN(C(=O)C1(C)CCCCCC1)C1CC1 ZINC000544411871 325142264 /nfs/dbraw/zinc/14/22/64/325142264.db2.gz BYXHKOWOJBKYKS-UHFFFAOYSA-N 0 0 235.371 3.524 20 30 BHEDRN C=CC[C@H](C)NC(=O)[C@H](C)CCC(C)(C)C ZINC000544560374 325148547 /nfs/dbraw/zinc/14/85/47/325148547.db2.gz JYYMQUCKADTEJK-NEPJUHHUSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](C)NC(=O)[C@@H](C)CCC(C)(C)C ZINC000544560375 325148561 /nfs/dbraw/zinc/14/85/61/325148561.db2.gz JYYMQUCKADTEJK-NWDGAFQWSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@H](C)NC(=O)[C@@H](C)CCC(C)(C)C ZINC000544560376 325148420 /nfs/dbraw/zinc/14/84/20/325148420.db2.gz JYYMQUCKADTEJK-RYUDHWBXSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CC[C@@H](C)NC(=O)[C@H](C)CCC(C)(C)C ZINC000544560377 325148466 /nfs/dbraw/zinc/14/84/66/325148466.db2.gz JYYMQUCKADTEJK-VXGBXAGGSA-N 0 0 225.376 3.530 20 30 BHEDRN CC#CCNc1ccccc1COC(C)(C)CC ZINC000544639665 325153370 /nfs/dbraw/zinc/15/33/70/325153370.db2.gz IDFLMFZIKOFMHH-UHFFFAOYSA-N 0 0 245.366 3.827 20 30 BHEDRN C=CCNc1ccccc1COC(C)(C)CC ZINC000544640089 325153171 /nfs/dbraw/zinc/15/31/71/325153171.db2.gz OETQVHIQNLFHGR-UHFFFAOYSA-N 0 0 233.355 3.990 20 30 BHEDRN C=C(C)CSCc1cccc(-n2cccn2)c1 ZINC000544643992 325153500 /nfs/dbraw/zinc/15/35/00/325153500.db2.gz DTPZQLRJAYTWQZ-UHFFFAOYSA-N 0 0 244.363 3.682 20 30 BHEDRN C=CCCCc1nc(-c2cccc(C)c2)no1 ZINC000544898772 325166072 /nfs/dbraw/zinc/16/60/72/325166072.db2.gz WJSHSPNENNCUCE-UHFFFAOYSA-N 0 0 228.295 3.554 20 30 BHEDRN C=CCCc1nc(-c2ccc(C(C)C)cc2)no1 ZINC000544902946 325166219 /nfs/dbraw/zinc/16/62/19/325166219.db2.gz NUOHNUCRJCZCPU-UHFFFAOYSA-N 0 0 242.322 3.979 20 30 BHEDRN C=CCCCc1nc(-c2ccccc2C)no1 ZINC000544934659 325167792 /nfs/dbraw/zinc/16/77/92/325167792.db2.gz DLEHTFVYHITRNQ-UHFFFAOYSA-N 0 0 228.295 3.554 20 30 BHEDRN C=CCCCc1nc(-c2ccccc2CC)no1 ZINC000545033455 325172178 /nfs/dbraw/zinc/17/21/78/325172178.db2.gz ITDITCDBCCDVSW-UHFFFAOYSA-N 0 0 242.322 3.808 20 30 BHEDRN C=CCCc1nc(C[C@@H](C)c2ccccc2)no1 ZINC000545041187 325172699 /nfs/dbraw/zinc/17/26/99/325172699.db2.gz RVALSCGUDWQWAK-GFCCVEGCSA-N 0 0 242.322 3.534 20 30 BHEDRN C=CCCc1nc(C[C@H](C)c2ccccc2)no1 ZINC000545041189 325172891 /nfs/dbraw/zinc/17/28/91/325172891.db2.gz RVALSCGUDWQWAK-LBPRGKRZSA-N 0 0 242.322 3.534 20 30 BHEDRN CC#CCCSc1c(F)cc(F)cc1F ZINC000545195234 325188138 /nfs/dbraw/zinc/18/81/38/325188138.db2.gz TXIMMQCTNNXKEP-UHFFFAOYSA-N 0 0 230.254 3.609 20 30 BHEDRN CC#CCCCC(=O)N[C@H]1CCCC[C@H]1CCC ZINC000545220417 325195122 /nfs/dbraw/zinc/19/51/22/325195122.db2.gz 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235.375 3.529 20 30 BHEDRN C=CCC[C@H](CCC)Nc1cn(C)nc1CC ZINC000545272199 325204205 /nfs/dbraw/zinc/20/42/05/325204205.db2.gz XXYVZPHZUOTGLK-LBPRGKRZSA-N 0 0 235.375 3.529 20 30 BHEDRN C=CCC(CC=C)C(=O)N1CC[C@@H](C)C(C)(C)C1 ZINC000545428454 325221421 /nfs/dbraw/zinc/22/14/21/325221421.db2.gz KYVIWLNKGFLQSH-CYBMUJFWSA-N 0 0 249.398 3.649 20 30 BHEDRN C=CCC(CC=C)C(=O)N1CC[C@H](C)C(C)(C)C1 ZINC000545428455 325221824 /nfs/dbraw/zinc/22/18/24/325221824.db2.gz KYVIWLNKGFLQSH-ZDUSSCGKSA-N 0 0 249.398 3.649 20 30 BHEDRN C=CCCCC(=O)N[C@@H](C)c1c(C)cccc1C ZINC000545455031 325223168 /nfs/dbraw/zinc/22/31/68/325223168.db2.gz WSIIMQOMWMVZFR-AWEZNQCLSA-N 0 0 245.366 3.837 20 30 BHEDRN C=CCCCC(=O)N[C@H](C)c1c(C)cccc1C ZINC000545455032 325223221 /nfs/dbraw/zinc/22/32/21/325223221.db2.gz WSIIMQOMWMVZFR-CQSZACIVSA-N 0 0 245.366 3.837 20 30 BHEDRN CCCC[C@@H](CC)Cn1ccc(C#N)c1 ZINC000545473444 325223902 /nfs/dbraw/zinc/22/39/02/325223902.db2.gz JTSYJLPDBDKERF-GFCCVEGCSA-N 0 0 204.317 3.576 20 30 BHEDRN CCCC[C@H](CC)Cn1ccc(C#N)c1 ZINC000545473445 325223876 /nfs/dbraw/zinc/22/38/76/325223876.db2.gz JTSYJLPDBDKERF-LBPRGKRZSA-N 0 0 204.317 3.576 20 30 BHEDRN C=C1CCN(C(=O)c2ccc(C(C)C)s2)CC1 ZINC000545485473 325224640 /nfs/dbraw/zinc/22/46/40/325224640.db2.gz PMWUVZNLYCZXOE-UHFFFAOYSA-N 0 0 249.379 3.664 20 30 BHEDRN C=CCCc1nc(CCC2CCCCC2)no1 ZINC000545637987 325231443 /nfs/dbraw/zinc/23/14/43/325231443.db2.gz MLZMVUKBYUIGSY-UHFFFAOYSA-N 0 0 234.343 3.701 20 30 BHEDRN C=CCCCc1nc([C@H]2CCC[C@@H](C)C2)no1 ZINC000545641346 325231691 /nfs/dbraw/zinc/23/16/91/325231691.db2.gz XDURTDRUUSDLBG-NEPJUHHUSA-N 0 0 234.343 3.872 20 30 BHEDRN C=CCCCc1nc([C@@H]2CCC[C@H](C)C2)no1 ZINC000545641348 325231770 /nfs/dbraw/zinc/23/17/70/325231770.db2.gz XDURTDRUUSDLBG-NWDGAFQWSA-N 0 0 234.343 3.872 20 30 BHEDRN C=CCCCc1nc([C@H]2CCC[C@H](C)C2)no1 ZINC000545641350 325231867 /nfs/dbraw/zinc/23/18/67/325231867.db2.gz XDURTDRUUSDLBG-RYUDHWBXSA-N 0 0 234.343 3.872 20 30 BHEDRN C=CCCCc1nc([C@@H]2CCC[C@@H](C)C2)no1 ZINC000545641352 325231305 /nfs/dbraw/zinc/23/13/05/325231305.db2.gz XDURTDRUUSDLBG-VXGBXAGGSA-N 0 0 234.343 3.872 20 30 BHEDRN C=CCCCc1nc(CC2CCCCC2)no1 ZINC000545659423 325232386 /nfs/dbraw/zinc/23/23/86/325232386.db2.gz LYVKPMTZAJIVMF-UHFFFAOYSA-N 0 0 234.343 3.701 20 30 BHEDRN C=CCCCc1nc(-c2cc(F)ccc2C)no1 ZINC000545707921 325233406 /nfs/dbraw/zinc/23/34/06/325233406.db2.gz FQPGRDSBVMEUBV-UHFFFAOYSA-N 0 0 246.285 3.693 20 30 BHEDRN CC#CCCSCc1ccccc1OCC ZINC000545904592 325242848 /nfs/dbraw/zinc/24/28/48/325242848.db2.gz SPUOFOBCZICJIN-UHFFFAOYSA-N 0 0 234.364 3.732 20 30 BHEDRN CC/C=C\CCOc1ccc(C#N)cc1C ZINC000545974621 325252808 /nfs/dbraw/zinc/25/28/08/325252808.db2.gz SWIIMNOEJJFEES-PLNGDYQASA-N 0 0 215.296 3.602 20 30 BHEDRN CC/C=C/CCOc1ccc(C#N)cc1C ZINC000545974622 325252959 /nfs/dbraw/zinc/25/29/59/325252959.db2.gz SWIIMNOEJJFEES-SNAWJCMRSA-N 0 0 215.296 3.602 20 30 BHEDRN C=CCSCc1ccc2ncccc2c1 ZINC000546020250 325259105 /nfs/dbraw/zinc/25/91/05/325259105.db2.gz 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C=CCCCCNC(=O)C[C@@H]1CCCC[C@H]1C ZINC000546724392 325305616 /nfs/dbraw/zinc/30/56/16/325305616.db2.gz SAOHURCDJBIOTK-KGLIPLIRSA-N 0 0 237.387 3.675 20 30 BHEDRN C=CCCCCNC(=O)C[C@H]1CCCC[C@@H]1C ZINC000546724393 325305675 /nfs/dbraw/zinc/30/56/75/325305675.db2.gz SAOHURCDJBIOTK-UONOGXRCSA-N 0 0 237.387 3.675 20 30 BHEDRN C=CCCCCNC(=O)C[C@H]1CCCC[C@H]1C ZINC000546724394 325305504 /nfs/dbraw/zinc/30/55/04/325305504.db2.gz SAOHURCDJBIOTK-ZIAGYGMSSA-N 0 0 237.387 3.675 20 30 BHEDRN C=CCc1ccc(OC2CCCC2)c(OC)c1 ZINC000546752327 325308747 /nfs/dbraw/zinc/30/87/47/325308747.db2.gz QKJNOLDGZBVBNH-UHFFFAOYSA-N 0 0 232.323 3.745 20 30 BHEDRN C=CCCCOc1cccc2nc(C)ccc21 ZINC000546779989 325310466 /nfs/dbraw/zinc/31/04/66/325310466.db2.gz CKJNBNFSXKLBFE-UHFFFAOYSA-N 0 0 227.307 3.888 20 30 BHEDRN CC[C@@H](CC(F)(F)F)Nc1ccc(C#N)cc1 ZINC000546881995 325316313 /nfs/dbraw/zinc/31/63/13/325316313.db2.gz LVYLBSGNYTZXRT-JTQLQIEISA-N 0 0 242.244 3.701 20 30 BHEDRN CC[C@H](CC(F)(F)F)Nc1ccc(C#N)cc1 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GRVCBCRBVJOXKT-UHFFFAOYSA-N 0 0 247.121 3.575 20 30 BHEDRN C=CCOCCOc1ccc(Cl)c(Cl)c1 ZINC000558807218 322955296 /nfs/dbraw/zinc/95/52/96/322955296.db2.gz HMNFFKMYNOXIJJ-UHFFFAOYSA-N 0 0 247.121 3.575 20 30 BHEDRN C=CCOCCSc1cccc(Cl)c1 ZINC000558825520 322955497 /nfs/dbraw/zinc/95/54/97/322955497.db2.gz LFYMICBCZZSWQI-UHFFFAOYSA-N 0 0 228.744 3.635 20 30 BHEDRN C=CCCN[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000558828858 410047360 /nfs/dbraw/zinc/04/73/60/410047360.db2.gz LFPSXQPOFVUEOA-LLVKDONJSA-N 0 0 247.235 3.595 20 30 BHEDRN C=CCOCCSCC1CCCCC1 ZINC000558831564 322955616 /nfs/dbraw/zinc/95/56/16/322955616.db2.gz JZADQDZGXFMITC-UHFFFAOYSA-N 0 0 214.374 3.503 20 30 BHEDRN C=CCOCCS[C@H](C)c1ccc(F)cc1 ZINC000558832149 322955623 /nfs/dbraw/zinc/95/56/23/322955623.db2.gz ZTFNCZWZBZSCQG-LLVKDONJSA-N 0 0 240.343 3.823 20 30 BHEDRN C=CCOCCS[C@@H](C)c1ccc(F)cc1 ZINC000558832161 322955645 /nfs/dbraw/zinc/95/56/45/322955645.db2.gz ZTFNCZWZBZSCQG-NSHDSACASA-N 0 0 240.343 3.823 20 30 BHEDRN C=CCOCCSc1cc(Cl)ccc1F ZINC000558851542 322955706 /nfs/dbraw/zinc/95/57/06/322955706.db2.gz ZXZUXYFPABGESV-UHFFFAOYSA-N 0 0 246.734 3.774 20 30 BHEDRN C=CCCC[C@@H](C)Sc1nc(C)c(C)[nH]1 ZINC000558861904 322955825 /nfs/dbraw/zinc/95/58/25/322955825.db2.gz LECGUGKNPPEDCP-SECBINFHSA-N 0 0 224.373 3.863 20 30 BHEDRN C=CCCC[C@H](C)Sc1nc(C)c(C)[nH]1 ZINC000558861909 322955895 /nfs/dbraw/zinc/95/58/95/322955895.db2.gz LECGUGKNPPEDCP-VIFPVBQESA-N 0 0 224.373 3.863 20 30 BHEDRN N#CCc1ccc(N[C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000559053727 322957823 /nfs/dbraw/zinc/95/78/23/322957823.db2.gz KFIAUFKZSQGLKK-CVEARBPZSA-N 0 0 240.350 3.743 20 30 BHEDRN N#CCc1ccc(N[C@H]2CC[C@H]2C2CCC2)cc1 ZINC000559053729 322957768 /nfs/dbraw/zinc/95/77/68/322957768.db2.gz KFIAUFKZSQGLKK-HOTGVXAUSA-N 0 0 240.350 3.743 20 30 BHEDRN N#CCc1ccc(N[C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000559053731 322957819 /nfs/dbraw/zinc/95/78/19/322957819.db2.gz KFIAUFKZSQGLKK-HZPDHXFCSA-N 0 0 240.350 3.743 20 30 BHEDRN 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C=CCCC[C@@H](C)Sc1ccncc1C#N ZINC000594911137 348137918 /nfs/dbraw/zinc/13/79/18/348137918.db2.gz ZQHLIQBIERRLEK-LLVKDONJSA-N 0 0 232.352 3.790 20 30 BHEDRN C=CCCC[C@H](C)Sc1ccncc1C#N ZINC000594911138 348137911 /nfs/dbraw/zinc/13/79/11/348137911.db2.gz ZQHLIQBIERRLEK-NSHDSACASA-N 0 0 232.352 3.790 20 30 BHEDRN CC(C)(CCSc1ccncc1C#N)C1CC1 ZINC000594913802 388373903 /nfs/dbraw/zinc/37/39/03/388373903.db2.gz GTXATLCEUJGUHO-UHFFFAOYSA-N 0 0 246.379 3.872 20 30 BHEDRN Cc1cc(SCC(C)(C)CC#N)ccc1C#N ZINC000594914480 348122811 /nfs/dbraw/zinc/12/28/11/348122811.db2.gz UBHYBEYVGGJLJG-UHFFFAOYSA-N 0 0 244.363 3.899 20 30 BHEDRN Cc1cc(SCC2(CC#N)CC2)ccc1C#N ZINC000594914540 348126297 /nfs/dbraw/zinc/12/62/97/348126297.db2.gz WRAZFLJDZLNHNS-UHFFFAOYSA-N 0 0 242.347 3.653 20 30 BHEDRN Cc1cnc(SCC(C)(C)CC#N)c(C)c1 ZINC000594915808 348152234 /nfs/dbraw/zinc/15/22/34/348152234.db2.gz BHIYHJBFQUWDKU-UHFFFAOYSA-N 0 0 234.368 3.730 20 30 BHEDRN N#Cc1cnccc1SCCCC1CCC1 ZINC000594916107 348152419 /nfs/dbraw/zinc/15/24/19/348152419.db2.gz PGHLCKMROPOPHI-UHFFFAOYSA-N 0 0 232.352 3.626 20 30 BHEDRN Cc1cnc(SCCC(C)(C)C#N)c(C)c1 ZINC000594916234 348152113 /nfs/dbraw/zinc/15/21/13/348152113.db2.gz FNSOISQJIUKIGT-UHFFFAOYSA-N 0 0 234.368 3.730 20 30 BHEDRN CC1(C)CC[C@@H](Sc2ccncc2C#N)C1 ZINC000594918071 348153291 /nfs/dbraw/zinc/15/32/91/348153291.db2.gz QGISKYXUVSNQHW-LLVKDONJSA-N 0 0 232.352 3.624 20 30 BHEDRN CC1(C)CC[C@H](Sc2ccncc2C#N)C1 ZINC000594918072 348153435 /nfs/dbraw/zinc/15/34/35/348153435.db2.gz QGISKYXUVSNQHW-NSHDSACASA-N 0 0 232.352 3.624 20 30 BHEDRN N#Cc1cnccc1SCC1=CCCCC1 ZINC000594923370 348156224 /nfs/dbraw/zinc/15/62/24/348156224.db2.gz XTMNJMASBOUKMJ-UHFFFAOYSA-N 0 0 230.336 3.546 20 30 BHEDRN Cc1cc(CNCC2(C#N)CCCCC2)cs1 ZINC000594980897 348164315 /nfs/dbraw/zinc/16/43/15/348164315.db2.gz CLZUTGXPRWIYOL-UHFFFAOYSA-N 0 0 248.395 3.620 20 30 BHEDRN Cc1sccc1CNCC1(C#N)CCCCC1 ZINC000594980966 348164185 /nfs/dbraw/zinc/16/41/85/348164185.db2.gz DQMSMEXSTMBGNV-UHFFFAOYSA-N 0 0 248.395 3.620 20 30 BHEDRN C[C@@H](NCC1(C#N)CCCCC1)c1ccsc1 ZINC000595092068 348191903 /nfs/dbraw/zinc/19/19/03/348191903.db2.gz VXYMPTCFGUKWEN-GFCCVEGCSA-N 0 0 248.395 3.873 20 30 BHEDRN C[C@H](NCC1(C#N)CCCCC1)c1ccsc1 ZINC000595092069 348191942 /nfs/dbraw/zinc/19/19/42/348191942.db2.gz VXYMPTCFGUKWEN-LBPRGKRZSA-N 0 0 248.395 3.873 20 30 BHEDRN Cc1ccc([C@@H](C)NCC2(C#N)CCCCC2)o1 ZINC000595101607 348196050 /nfs/dbraw/zinc/19/60/50/348196050.db2.gz XKTSLXZKACEMJL-CYBMUJFWSA-N 0 0 246.354 3.713 20 30 BHEDRN Cc1ccc([C@H](C)NCC2(C#N)CCCCC2)o1 ZINC000595101608 348196118 /nfs/dbraw/zinc/19/61/18/348196118.db2.gz XKTSLXZKACEMJL-ZDUSSCGKSA-N 0 0 246.354 3.713 20 30 BHEDRN N#C[C@H](c1ccc(Cl)cc1)N1C2CCC1CC2 ZINC000595290168 348213703 /nfs/dbraw/zinc/21/37/03/348213703.db2.gz JAEKLXALKOJANB-JXQTWKCFSA-N 0 0 246.741 3.531 20 30 BHEDRN N#C[C@@H](c1ccc(Cl)cc1)N1C2CCC1CC2 ZINC000595290169 348213305 /nfs/dbraw/zinc/21/33/05/348213305.db2.gz JAEKLXALKOJANB-RUXDESIVSA-N 0 0 246.741 3.531 20 30 BHEDRN CCCN(CC(C)C)[C@@H](C#N)c1ccccc1 ZINC000595296858 348216144 /nfs/dbraw/zinc/21/61/44/348216144.db2.gz MPMUJOSVYKXSGD-HNNXBMFYSA-N 0 0 230.355 3.619 20 30 BHEDRN CCCN(CC(C)C)[C@H](C#N)c1ccccc1 ZINC000595296862 348215895 /nfs/dbraw/zinc/21/58/95/348215895.db2.gz MPMUJOSVYKXSGD-OAHLLOKOSA-N 0 0 230.355 3.619 20 30 BHEDRN CCN(Cc1cccc(C(C)C)c1)C[C@@H](C)C#N ZINC000595302428 348219904 /nfs/dbraw/zinc/21/99/04/348219904.db2.gz HFOHRMQZHXVSGE-AWEZNQCLSA-N 0 0 244.382 3.792 20 30 BHEDRN CCN(Cc1cccc(C(C)C)c1)C[C@H](C)C#N ZINC000595302429 348219848 /nfs/dbraw/zinc/21/98/48/348219848.db2.gz HFOHRMQZHXVSGE-CQSZACIVSA-N 0 0 244.382 3.792 20 30 BHEDRN C[C@H](C#N)CN(C)Cc1cccc(C(C)(C)C)c1 ZINC000595302444 348219641 /nfs/dbraw/zinc/21/96/41/348219641.db2.gz UAGFSQGNCNGKPE-CYBMUJFWSA-N 0 0 244.382 3.576 20 30 BHEDRN C[C@@H](C#N)CN(C)Cc1cccc(C(C)(C)C)c1 ZINC000595302445 348219777 /nfs/dbraw/zinc/21/97/77/348219777.db2.gz UAGFSQGNCNGKPE-ZDUSSCGKSA-N 0 0 244.382 3.576 20 30 BHEDRN CCN(CC1CC1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595311093 348223608 /nfs/dbraw/zinc/22/36/08/348223608.db2.gz AIJGNUXFHOYBOI-AWEZNQCLSA-N 0 0 248.757 3.637 20 30 BHEDRN CCN(CC1CC1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595311094 348223767 /nfs/dbraw/zinc/22/37/67/348223767.db2.gz AIJGNUXFHOYBOI-CQSZACIVSA-N 0 0 248.757 3.637 20 30 BHEDRN C=C1CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595312140 348223948 /nfs/dbraw/zinc/22/39/48/348223948.db2.gz LWQOQKIQEXIBAH-AWEZNQCLSA-N 0 0 246.741 3.557 20 30 BHEDRN C=C1CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595312141 348223657 /nfs/dbraw/zinc/22/36/57/348223657.db2.gz LWQOQKIQEXIBAH-CQSZACIVSA-N 0 0 246.741 3.557 20 30 BHEDRN C=CCCCN(C)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595323273 348226508 /nfs/dbraw/zinc/22/65/08/348226508.db2.gz XXNGMVZGNWXTFC-AWEZNQCLSA-N 0 0 248.757 3.803 20 30 BHEDRN C=CCCCN(C)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595323275 348226661 /nfs/dbraw/zinc/22/66/61/348226661.db2.gz XXNGMVZGNWXTFC-CQSZACIVSA-N 0 0 248.757 3.803 20 30 BHEDRN CC1(C)CCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000595330935 348228105 /nfs/dbraw/zinc/22/81/05/348228105.db2.gz RNMCGFTVYHWNRB-CYBMUJFWSA-N 0 0 248.757 3.637 20 30 BHEDRN CC1(C)CCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000595330936 348228127 /nfs/dbraw/zinc/22/81/27/348228127.db2.gz RNMCGFTVYHWNRB-ZDUSSCGKSA-N 0 0 248.757 3.637 20 30 BHEDRN CC(C)c1cccc(CN(CCC#N)C(C)C)c1 ZINC000595331632 348228328 /nfs/dbraw/zinc/22/83/28/348228328.db2.gz BNSLTAUCVJAABB-UHFFFAOYSA-N 0 0 244.382 3.934 20 30 BHEDRN N#CCCN(CCCC1CCC1)Cc1ccco1 ZINC000595331847 348228431 /nfs/dbraw/zinc/22/84/31/348228431.db2.gz FPTSEFRTTGRMOJ-UHFFFAOYSA-N 0 0 246.354 3.576 20 30 BHEDRN CCN(CCC#N)Cc1cccc(C(C)C)c1 ZINC000595332244 348229168 /nfs/dbraw/zinc/22/91/68/348229168.db2.gz HLTQSHKAUMZJRR-UHFFFAOYSA-N 0 0 230.355 3.546 20 30 BHEDRN CC[C@@H]1CCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000595338880 640817959 /nfs/dbraw/zinc/81/79/59/640817959.db2.gz KVRTXAWCBHECDK-BXUZGUMPSA-N 0 0 248.757 3.637 20 30 BHEDRN CC[C@H]1CCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000595338881 640818380 /nfs/dbraw/zinc/81/83/80/640818380.db2.gz KVRTXAWCBHECDK-FZMZJTMJSA-N 0 0 248.757 3.637 20 30 BHEDRN CC[C@@H]1CCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000595338882 640818161 /nfs/dbraw/zinc/81/81/61/640818161.db2.gz KVRTXAWCBHECDK-RISCZKNCSA-N 0 0 248.757 3.637 20 30 BHEDRN CC[C@H]1CCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000595338883 640817637 /nfs/dbraw/zinc/81/76/37/640817637.db2.gz KVRTXAWCBHECDK-SMDDNHRTSA-N 0 0 248.757 3.637 20 30 BHEDRN C[C@H](CC#N)N(C)Cc1cccc(C(C)(C)C)c1 ZINC000595346069 348235008 /nfs/dbraw/zinc/23/50/08/348235008.db2.gz UQKWWOANABOTOZ-CYBMUJFWSA-N 0 0 244.382 3.718 20 30 BHEDRN C[C@@H](CC#N)N(C)Cc1cccc(C(C)(C)C)c1 ZINC000595346070 348235035 /nfs/dbraw/zinc/23/50/35/348235035.db2.gz UQKWWOANABOTOZ-ZDUSSCGKSA-N 0 0 244.382 3.718 20 30 BHEDRN CC(C)c1cccc(CN(C)[C@H](C)CC#N)c1 ZINC000595346357 348235374 /nfs/dbraw/zinc/23/53/74/348235374.db2.gz VKFZKOVAOVMCGZ-CYBMUJFWSA-N 0 0 230.355 3.544 20 30 BHEDRN CC(C)c1cccc(CN(C)[C@@H](C)CC#N)c1 ZINC000595346358 348235250 /nfs/dbraw/zinc/23/52/50/348235250.db2.gz VKFZKOVAOVMCGZ-ZDUSSCGKSA-N 0 0 230.355 3.544 20 30 BHEDRN C[C@@H]1CCN([C@@H](C#N)c2ccc(Cl)cc2)[C@@H]1C ZINC000595348597 348236279 /nfs/dbraw/zinc/23/62/79/348236279.db2.gz UDBDMSAHMLYOFE-GYSYKLTISA-N 0 0 248.757 3.635 20 30 BHEDRN C[C@@H]1CCN([C@H](C#N)c2ccc(Cl)cc2)[C@@H]1C ZINC000595348598 348236226 /nfs/dbraw/zinc/23/62/26/348236226.db2.gz UDBDMSAHMLYOFE-JTNHKYCSSA-N 0 0 248.757 3.635 20 30 BHEDRN C[C@@H]1CCN([C@@H](C#N)c2ccc(Cl)cc2)[C@H]1C ZINC000595348599 348236495 /nfs/dbraw/zinc/23/64/95/348236495.db2.gz UDBDMSAHMLYOFE-SUNKGSAMSA-N 0 0 248.757 3.635 20 30 BHEDRN C[C@@H]1CCN([C@H](C#N)c2ccc(Cl)cc2)[C@H]1C ZINC000595348600 348236266 /nfs/dbraw/zinc/23/62/66/348236266.db2.gz UDBDMSAHMLYOFE-UHIISALHSA-N 0 0 248.757 3.635 20 30 BHEDRN CN(CCC1CC1)[C@@H](C#N)c1ccc(Cl)cc1 ZINC000595387477 348242931 /nfs/dbraw/zinc/24/29/31/348242931.db2.gz RXBUPOGVXXGFKH-AWEZNQCLSA-N 0 0 248.757 3.637 20 30 BHEDRN CN(CCC1CC1)[C@H](C#N)c1ccc(Cl)cc1 ZINC000595387478 348243091 /nfs/dbraw/zinc/24/30/91/348243091.db2.gz RXBUPOGVXXGFKH-CQSZACIVSA-N 0 0 248.757 3.637 20 30 BHEDRN CC1=CCN([C@@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595394016 348237599 /nfs/dbraw/zinc/23/75/99/348237599.db2.gz USJYNCKFKRHBFA-AWEZNQCLSA-N 0 0 246.741 3.557 20 30 BHEDRN CC1=CCN([C@H](C#N)c2ccc(Cl)cc2)CC1 ZINC000595394025 348237539 /nfs/dbraw/zinc/23/75/39/348237539.db2.gz USJYNCKFKRHBFA-CQSZACIVSA-N 0 0 246.741 3.557 20 30 BHEDRN C[C@H](N[C@@H](C#N)c1ccccc1)C1CCCCC1 ZINC000595409919 348242117 /nfs/dbraw/zinc/24/21/17/348242117.db2.gz HFILSOMUFNWDCN-BBRMVZONSA-N 0 0 242.366 3.810 20 30 BHEDRN C[C@@H](N[C@@H](C#N)c1ccccc1)C1CCCCC1 ZINC000595409922 348241494 /nfs/dbraw/zinc/24/14/94/348241494.db2.gz HFILSOMUFNWDCN-CJNGLKHVSA-N 0 0 242.366 3.810 20 30 BHEDRN C[C@@H](N[C@H](C#N)c1ccccc1)C1CCCCC1 ZINC000595409923 348242092 /nfs/dbraw/zinc/24/20/92/348242092.db2.gz HFILSOMUFNWDCN-CZUORRHYSA-N 0 0 242.366 3.810 20 30 BHEDRN C[C@H](N[C@H](C#N)c1ccccc1)C1CCCCC1 ZINC000595409924 348242073 /nfs/dbraw/zinc/24/20/73/348242073.db2.gz HFILSOMUFNWDCN-XJKSGUPXSA-N 0 0 242.366 3.810 20 30 BHEDRN CC(C)(C)[C@@H]1CCN([C@@H](C#N)c2ccccc2)C1 ZINC000595425119 348246221 /nfs/dbraw/zinc/24/62/21/348246221.db2.gz JKWQHKZRQAFOOU-CABCVRRESA-N 0 0 242.366 3.619 20 30 BHEDRN CC(C)(C)[C@H]1CCN([C@@H](C#N)c2ccccc2)C1 ZINC000595425120 348245976 /nfs/dbraw/zinc/24/59/76/348245976.db2.gz JKWQHKZRQAFOOU-GJZGRUSLSA-N 0 0 242.366 3.619 20 30 BHEDRN CC(C)(C)[C@@H]1CCN([C@H](C#N)c2ccccc2)C1 ZINC000595425121 348246013 /nfs/dbraw/zinc/24/60/13/348246013.db2.gz JKWQHKZRQAFOOU-HUUCEWRRSA-N 0 0 242.366 3.619 20 30 BHEDRN CC(C)(C)[C@H]1CCN([C@H](C#N)c2ccccc2)C1 ZINC000595425122 348246357 /nfs/dbraw/zinc/24/63/57/348246357.db2.gz JKWQHKZRQAFOOU-LSDHHAIUSA-N 0 0 242.366 3.619 20 30 BHEDRN CN(C[C@@H]1CC=CCC1)[C@H](C#N)c1ccccc1 ZINC000595428256 348247771 /nfs/dbraw/zinc/24/77/71/348247771.db2.gz WTMVGYACNYPGAW-GDBMZVCRSA-N 0 0 240.350 3.539 20 30 BHEDRN CN(C[C@H]1CC=CCC1)[C@H](C#N)c1ccccc1 ZINC000595428257 348247637 /nfs/dbraw/zinc/24/76/37/348247637.db2.gz WTMVGYACNYPGAW-GOEBONIOSA-N 0 0 240.350 3.539 20 30 BHEDRN CN(C[C@H]1CC=CCC1)[C@@H](C#N)c1ccccc1 ZINC000595428258 348247813 /nfs/dbraw/zinc/24/78/13/348247813.db2.gz WTMVGYACNYPGAW-HOCLYGCPSA-N 0 0 240.350 3.539 20 30 BHEDRN CN(C[C@@H]1CC=CCC1)[C@@H](C#N)c1ccccc1 ZINC000595428259 348247484 /nfs/dbraw/zinc/24/74/84/348247484.db2.gz WTMVGYACNYPGAW-ZBFHGGJFSA-N 0 0 240.350 3.539 20 30 BHEDRN C[C@@H]1CCC[C@H](N[C@H](C#N)c2ccccc2)[C@H]1C ZINC000595439420 348250207 /nfs/dbraw/zinc/25/02/07/348250207.db2.gz HGSVPSLIOOQQQJ-BFJAYTPKSA-N 0 0 242.366 3.666 20 30 BHEDRN C[C@@H]1CCC[C@H](N[C@H](C#N)c2ccccc2)[C@@H]1C ZINC000595439421 348250775 /nfs/dbraw/zinc/25/07/75/348250775.db2.gz HGSVPSLIOOQQQJ-LUYZLQTOSA-N 0 0 242.366 3.666 20 30 BHEDRN C[C@@H]1CCC[C@H](N[C@@H](C#N)c2ccccc2)[C@@H]1C ZINC000595439422 348250386 /nfs/dbraw/zinc/25/03/86/348250386.db2.gz HGSVPSLIOOQQQJ-VDERGJSUSA-N 0 0 242.366 3.666 20 30 BHEDRN C[C@@H]1CCC[C@H](N[C@@H](C#N)c2ccccc2)[C@H]1C ZINC000595439423 348250532 /nfs/dbraw/zinc/25/05/32/348250532.db2.gz HGSVPSLIOOQQQJ-VRKREXBASA-N 0 0 242.366 3.666 20 30 BHEDRN C[C@@H]1CC[C@H](N[C@H](C#N)c2ccccc2)[C@@H](C)C1 ZINC000595439990 348250243 /nfs/dbraw/zinc/25/02/43/348250243.db2.gz LKRUHAOXLDLXJS-BFJAYTPKSA-N 0 0 242.366 3.666 20 30 BHEDRN C[C@@H]1CC[C@H](N[C@H](C#N)c2ccccc2)[C@H](C)C1 ZINC000595439991 348250688 /nfs/dbraw/zinc/25/06/88/348250688.db2.gz LKRUHAOXLDLXJS-LUYZLQTOSA-N 0 0 242.366 3.666 20 30 BHEDRN C[C@@H]1CC[C@H](N[C@@H](C#N)c2ccccc2)[C@H](C)C1 ZINC000595439992 348250248 /nfs/dbraw/zinc/25/02/48/348250248.db2.gz LKRUHAOXLDLXJS-VDERGJSUSA-N 0 0 242.366 3.666 20 30 BHEDRN C[C@@H]1CC[C@H](N[C@@H](C#N)c2ccccc2)[C@@H](C)C1 ZINC000595439993 348250452 /nfs/dbraw/zinc/25/04/52/348250452.db2.gz LKRUHAOXLDLXJS-VRKREXBASA-N 0 0 242.366 3.666 20 30 BHEDRN CC1=CCCN([C@@H](C#N)c2ccc(Cl)cc2)C1 ZINC000595476943 348251998 /nfs/dbraw/zinc/25/19/98/348251998.db2.gz UMIYFKFYRJNVFD-AWEZNQCLSA-N 0 0 246.741 3.557 20 30 BHEDRN CC1=CCCN([C@H](C#N)c2ccc(Cl)cc2)C1 ZINC000595476947 348252505 /nfs/dbraw/zinc/25/25/05/348252505.db2.gz UMIYFKFYRJNVFD-CQSZACIVSA-N 0 0 246.741 3.557 20 30 BHEDRN N#C[C@@H](c1ccccc1)N1CCC2(CCC2)CC1 ZINC000595484277 348253374 /nfs/dbraw/zinc/25/33/74/348253374.db2.gz PFZWZWPNMCSQGT-HNNXBMFYSA-N 0 0 240.350 3.517 20 30 BHEDRN N#C[C@H](c1ccccc1)N1CCC2(CCC2)CC1 ZINC000595484278 348253284 /nfs/dbraw/zinc/25/32/84/348253284.db2.gz PFZWZWPNMCSQGT-OAHLLOKOSA-N 0 0 240.350 3.517 20 30 BHEDRN C=CCN(CCC#N)Cc1cccc(C(C)C)c1 ZINC000595500293 348263203 /nfs/dbraw/zinc/26/32/03/348263203.db2.gz DNNCJRBLXQFZKF-UHFFFAOYSA-N 0 0 242.366 3.712 20 30 BHEDRN CC(C)c1cccc(CN(C)CC(C)(C)C#N)c1 ZINC000595500819 348263685 /nfs/dbraw/zinc/26/36/85/348263685.db2.gz MDFOOQDXWZRWMX-UHFFFAOYSA-N 0 0 244.382 3.792 20 30 BHEDRN CC[C@@H](CC#N)NCc1cccc(C(C)C)c1 ZINC000595529507 348272619 /nfs/dbraw/zinc/27/26/19/348272619.db2.gz JNQXPVZNHBJBRU-HNNXBMFYSA-N 0 0 230.355 3.592 20 30 BHEDRN CC[C@H](CC#N)NCc1cccc(C(C)C)c1 ZINC000595529513 348272661 /nfs/dbraw/zinc/27/26/61/348272661.db2.gz JNQXPVZNHBJBRU-OAHLLOKOSA-N 0 0 230.355 3.592 20 30 BHEDRN CC[C@@H](CC#N)NCc1cccc(C(C)(C)C)c1 ZINC000595529595 348272616 /nfs/dbraw/zinc/27/26/16/348272616.db2.gz LBDUVEHISLYQQM-HNNXBMFYSA-N 0 0 244.382 3.766 20 30 BHEDRN CC[C@H](CC#N)NCc1cccc(C(C)(C)C)c1 ZINC000595529944 348272624 /nfs/dbraw/zinc/27/26/24/348272624.db2.gz LBDUVEHISLYQQM-OAHLLOKOSA-N 0 0 244.382 3.766 20 30 BHEDRN CCC[C@@H](N[C@@H](C#N)c1ccccc1)C1CCC1 ZINC000595535232 348276263 /nfs/dbraw/zinc/27/62/63/348276263.db2.gz VUOLIMVGLRBQBL-CVEARBPZSA-N 0 0 242.366 3.810 20 30 BHEDRN CCC[C@H](N[C@@H](C#N)c1ccccc1)C1CCC1 ZINC000595535233 348276052 /nfs/dbraw/zinc/27/60/52/348276052.db2.gz VUOLIMVGLRBQBL-HOTGVXAUSA-N 0 0 242.366 3.810 20 30 BHEDRN CCC[C@@H](N[C@H](C#N)c1ccccc1)C1CCC1 ZINC000595535234 348276390 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/nfs/dbraw/zinc/31/02/26/348310226.db2.gz XDTYPNLNSDZVHG-AWEZNQCLSA-N 0 0 244.338 3.500 20 30 BHEDRN N#CCCCN1CC2(CCCC2)[C@H]1c1ccco1 ZINC000595677933 348310373 /nfs/dbraw/zinc/31/03/73/348310373.db2.gz XDTYPNLNSDZVHG-CQSZACIVSA-N 0 0 244.338 3.500 20 30 BHEDRN Cc1cccc(Cl)c1CN([C@H](C)C#N)C1CC1 ZINC000595709454 348321094 /nfs/dbraw/zinc/32/10/94/348321094.db2.gz FSVUZRWBKHRFFA-LLVKDONJSA-N 0 0 248.757 3.525 20 30 BHEDRN Cc1cccc(Cl)c1CN([C@@H](C)C#N)C1CC1 ZINC000595709456 348320794 /nfs/dbraw/zinc/32/07/94/348320794.db2.gz FSVUZRWBKHRFFA-NSHDSACASA-N 0 0 248.757 3.525 20 30 BHEDRN Cc1ccc(CN([C@H](C)C#N)C2CC2)c(Cl)c1 ZINC000595709776 348321498 /nfs/dbraw/zinc/32/14/98/348321498.db2.gz IIJNVUVHBKGGLD-LLVKDONJSA-N 0 0 248.757 3.525 20 30 BHEDRN Cc1ccc(CN([C@@H](C)C#N)C2CC2)c(Cl)c1 ZINC000595709777 348321676 /nfs/dbraw/zinc/32/16/76/348321676.db2.gz IIJNVUVHBKGGLD-NSHDSACASA-N 0 0 248.757 3.525 20 30 BHEDRN CCCc1ccc(CN([C@H](C)C#N)C2CC2)cc1 ZINC000595710251 348321935 /nfs/dbraw/zinc/32/19/35/348321935.db2.gz OQADBEPHTGVBQV-CYBMUJFWSA-N 0 0 242.366 3.516 20 30 BHEDRN CCCc1ccc(CN([C@@H](C)C#N)C2CC2)cc1 ZINC000595710253 348322159 /nfs/dbraw/zinc/32/21/59/348322159.db2.gz OQADBEPHTGVBQV-ZDUSSCGKSA-N 0 0 242.366 3.516 20 30 BHEDRN CC(C)c1cccc(CN([C@H](C)C#N)C2CC2)c1 ZINC000595711324 348323904 /nfs/dbraw/zinc/32/39/04/348323904.db2.gz YIGWNADUDHAFLW-CYBMUJFWSA-N 0 0 242.366 3.686 20 30 BHEDRN CC(C)c1cccc(CN([C@@H](C)C#N)C2CC2)c1 ZINC000595711325 348324077 /nfs/dbraw/zinc/32/40/77/348324077.db2.gz YIGWNADUDHAFLW-ZDUSSCGKSA-N 0 0 242.366 3.686 20 30 BHEDRN CCN(Cc1cccc2ccccc21)[C@H](C)C#N ZINC000595815697 348343268 /nfs/dbraw/zinc/34/32/68/348343268.db2.gz QTTOYWWDVLZXIQ-CYBMUJFWSA-N 0 0 238.334 3.574 20 30 BHEDRN CCN(Cc1cccc2ccccc21)[C@@H](C)C#N ZINC000595815698 348343514 /nfs/dbraw/zinc/34/35/14/348343514.db2.gz QTTOYWWDVLZXIQ-ZDUSSCGKSA-N 0 0 238.334 3.574 20 30 BHEDRN CCN(Cc1cccc(C(C)C)c1)[C@H](C)C#N ZINC000595820476 348361515 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/nfs/dbraw/zinc/36/40/23/348364023.db2.gz NWHGGSDWPKIQDE-UHFFFAOYSA-N 0 0 234.318 3.734 20 30 BHEDRN C[C@H](c1ccccc1Cl)N1CC[C@](C)(C#N)C1 ZINC000595832985 348366264 /nfs/dbraw/zinc/36/62/64/348366264.db2.gz DNLMOMGFAGGVGI-BXUZGUMPSA-N 0 0 248.757 3.637 20 30 BHEDRN C[C@@H](c1ccccc1Cl)N1CC[C@@](C)(C#N)C1 ZINC000595832986 348366174 /nfs/dbraw/zinc/36/61/74/348366174.db2.gz DNLMOMGFAGGVGI-FZMZJTMJSA-N 0 0 248.757 3.637 20 30 BHEDRN C[C@H](c1ccccc1Cl)N1CC[C@@](C)(C#N)C1 ZINC000595832987 348366667 /nfs/dbraw/zinc/36/66/67/348366667.db2.gz DNLMOMGFAGGVGI-RISCZKNCSA-N 0 0 248.757 3.637 20 30 BHEDRN C[C@@H](c1ccccc1Cl)N1CC[C@](C)(C#N)C1 ZINC000595832988 348366236 /nfs/dbraw/zinc/36/62/36/348366236.db2.gz DNLMOMGFAGGVGI-SMDDNHRTSA-N 0 0 248.757 3.637 20 30 BHEDRN CC(C)c1ccc(CN2CC[C@@](C)(C#N)C2)cc1 ZINC000595834741 348367987 /nfs/dbraw/zinc/36/79/87/348367987.db2.gz LMWDJNJGCJGHLI-INIZCTEOSA-N 0 0 242.366 3.546 20 30 BHEDRN CC(C)c1ccc(CN2CC[C@](C)(C#N)C2)cc1 ZINC000595834742 348368345 /nfs/dbraw/zinc/36/83/45/348368345.db2.gz LMWDJNJGCJGHLI-MRXNPFEDSA-N 0 0 242.366 3.546 20 30 BHEDRN CC[C@H](c1ccc(F)cc1)N1CC[C@@](C)(C#N)C1 ZINC000595837263 348371196 /nfs/dbraw/zinc/37/11/96/348371196.db2.gz FMXZMLZGMDAJBA-CABCVRRESA-N 0 0 246.329 3.512 20 30 BHEDRN CC[C@@H](c1ccc(F)cc1)N1CC[C@@](C)(C#N)C1 ZINC000595837265 348370743 /nfs/dbraw/zinc/37/07/43/348370743.db2.gz FMXZMLZGMDAJBA-GJZGRUSLSA-N 0 0 246.329 3.512 20 30 BHEDRN CC[C@H](c1ccc(F)cc1)N1CC[C@](C)(C#N)C1 ZINC000595837267 348370662 /nfs/dbraw/zinc/37/06/62/348370662.db2.gz FMXZMLZGMDAJBA-HUUCEWRRSA-N 0 0 246.329 3.512 20 30 BHEDRN CC[C@@H](c1ccc(F)cc1)N1CC[C@](C)(C#N)C1 ZINC000595837268 348370840 /nfs/dbraw/zinc/37/08/40/348370840.db2.gz FMXZMLZGMDAJBA-LSDHHAIUSA-N 0 0 246.329 3.512 20 30 BHEDRN C[C@H](c1ccc(Cl)cc1)N1CC[C@](C)(C#N)C1 ZINC000595839045 348372568 /nfs/dbraw/zinc/37/25/68/348372568.db2.gz GTZJBYHSULYGHY-BXUZGUMPSA-N 0 0 248.757 3.637 20 30 BHEDRN C[C@@H](c1ccc(Cl)cc1)N1CC[C@@](C)(C#N)C1 ZINC000595839046 348372601 /nfs/dbraw/zinc/37/26/01/348372601.db2.gz GTZJBYHSULYGHY-FZMZJTMJSA-N 0 0 248.757 3.637 20 30 BHEDRN C[C@H](c1ccc(Cl)cc1)N1CC[C@@](C)(C#N)C1 ZINC000595839047 348372424 /nfs/dbraw/zinc/37/24/24/348372424.db2.gz GTZJBYHSULYGHY-RISCZKNCSA-N 0 0 248.757 3.637 20 30 BHEDRN C[C@@H](c1ccc(Cl)cc1)N1CC[C@](C)(C#N)C1 ZINC000595839048 348372490 /nfs/dbraw/zinc/37/24/90/348372490.db2.gz GTZJBYHSULYGHY-SMDDNHRTSA-N 0 0 248.757 3.637 20 30 BHEDRN C[C@H](c1cccc(Cl)c1)N1CC[C@](C)(C#N)C1 ZINC000595840098 348373745 /nfs/dbraw/zinc/37/37/45/348373745.db2.gz OCZWZDUHVNFXSC-BXUZGUMPSA-N 0 0 248.757 3.637 20 30 BHEDRN C[C@@H](c1cccc(Cl)c1)N1CC[C@@](C)(C#N)C1 ZINC000595840100 348373665 /nfs/dbraw/zinc/37/36/65/348373665.db2.gz OCZWZDUHVNFXSC-FZMZJTMJSA-N 0 0 248.757 3.637 20 30 BHEDRN C[C@H](c1cccc(Cl)c1)N1CC[C@@](C)(C#N)C1 ZINC000595840156 348373625 /nfs/dbraw/zinc/37/36/25/348373625.db2.gz OCZWZDUHVNFXSC-RISCZKNCSA-N 0 0 248.757 3.637 20 30 BHEDRN C[C@@H](c1cccc(Cl)c1)N1CC[C@](C)(C#N)C1 ZINC000595840157 348373879 /nfs/dbraw/zinc/37/38/79/348373879.db2.gz OCZWZDUHVNFXSC-SMDDNHRTSA-N 0 0 248.757 3.637 20 30 BHEDRN CC(C)c1cccc(CN2CC[C@@](C)(C#N)C2)c1 ZINC000595840819 348375317 /nfs/dbraw/zinc/37/53/17/348375317.db2.gz GAKDHIKCIDNVMF-INIZCTEOSA-N 0 0 242.366 3.546 20 30 BHEDRN CC(C)c1cccc(CN2CC[C@](C)(C#N)C2)c1 ZINC000595840820 348375202 /nfs/dbraw/zinc/37/52/02/348375202.db2.gz GAKDHIKCIDNVMF-MRXNPFEDSA-N 0 0 242.366 3.546 20 30 BHEDRN CC1C[C@H]2CC[C@@H](C1)N2[C@@H](C#N)c1ccccc1 ZINC000595856393 348357841 /nfs/dbraw/zinc/35/78/41/348357841.db2.gz BTDIXEUTAPJDEX-WDVRLDOZSA-N 0 0 240.350 3.514 20 30 BHEDRN CC1C[C@H]2CC[C@@H](C1)N2[C@H](C#N)c1ccccc1 ZINC000595856394 348357461 /nfs/dbraw/zinc/35/74/61/348357461.db2.gz BTDIXEUTAPJDEX-YPAMNDHTSA-N 0 0 240.350 3.514 20 30 BHEDRN CC1(C)CCCC[C@@H]1CSCCC#N ZINC000596018999 348423165 /nfs/dbraw/zinc/42/31/65/348423165.db2.gz CGRRRHLHFYGFBQ-LLVKDONJSA-N 0 0 211.374 3.850 20 30 BHEDRN CC1(C)CCCC[C@H]1CSCCC#N ZINC000596019011 348422987 /nfs/dbraw/zinc/42/29/87/348422987.db2.gz CGRRRHLHFYGFBQ-NSHDSACASA-N 0 0 211.374 3.850 20 30 BHEDRN CC(C)c1cccc(CSCCC#N)c1 ZINC000596022950 348424175 /nfs/dbraw/zinc/42/41/75/348424175.db2.gz UUUCOUHTMFYULF-UHFFFAOYSA-N 0 0 219.353 3.957 20 30 BHEDRN CCC[C@@H](CC)Sc1cc(C#N)nc(CC)n1 ZINC000596223428 348470797 /nfs/dbraw/zinc/47/07/97/348470797.db2.gz OEYGNYHTVXKJMU-LLVKDONJSA-N 0 0 249.383 3.581 20 30 BHEDRN CCC[C@H](CC)Sc1cc(C#N)nc(CC)n1 ZINC000596223434 348470872 /nfs/dbraw/zinc/47/08/72/348470872.db2.gz OEYGNYHTVXKJMU-NSHDSACASA-N 0 0 249.383 3.581 20 30 BHEDRN N#CCC1(COc2cc(Cl)ccc2F)CC1 ZINC000596256433 348475895 /nfs/dbraw/zinc/47/58/95/348475895.db2.gz ARRHVFOJODJBHS-UHFFFAOYSA-N 0 0 239.677 3.552 20 30 BHEDRN CC(C)Oc1ccc(OCC2(CC#N)CC2)cc1 ZINC000596258556 348477126 /nfs/dbraw/zinc/47/71/26/348477126.db2.gz UGVBCIKKYVBIQC-UHFFFAOYSA-N 0 0 245.322 3.546 20 30 BHEDRN Cc1cccc(Cl)c1OCC1(CC#N)CC1 ZINC000596258850 348477439 /nfs/dbraw/zinc/47/74/39/348477439.db2.gz XUWIBAJJZMQLMN-UHFFFAOYSA-N 0 0 235.714 3.721 20 30 BHEDRN N#CCC1(COc2cccc3c2CCCC3)CC1 ZINC000596262379 348478708 /nfs/dbraw/zinc/47/87/08/348478708.db2.gz SFJUSLCUQQCZRB-UHFFFAOYSA-N 0 0 241.334 3.638 20 30 BHEDRN CC(C)Oc1cccc(OCC2(CC#N)CC2)c1 ZINC000596263027 348478718 /nfs/dbraw/zinc/47/87/18/348478718.db2.gz BXEKFLWXTNUUBY-UHFFFAOYSA-N 0 0 245.322 3.546 20 30 BHEDRN CCSc1ccccc1OCC1(CC#N)CC1 ZINC000596263063 348479495 /nfs/dbraw/zinc/47/94/95/348479495.db2.gz DGUNKSIIAMHPNR-UHFFFAOYSA-N 0 0 247.363 3.871 20 30 BHEDRN CC(C)c1cccc(Cn2ccc(C#N)c2)c1 ZINC000596266264 348479862 /nfs/dbraw/zinc/47/98/62/348479862.db2.gz PGOSLJDQBTXKLI-UHFFFAOYSA-N 0 0 224.307 3.531 20 30 BHEDRN Cc1cccc(OCC2(CC#N)CC2)c1Cl ZINC000596278217 348495004 /nfs/dbraw/zinc/49/50/04/348495004.db2.gz NBHIPKKYSCSIOE-UHFFFAOYSA-N 0 0 235.714 3.721 20 30 BHEDRN CC(C)(C#N)CCCOc1cccc2cnoc21 ZINC000596283096 487886298 /nfs/dbraw/zinc/88/62/98/487886298.db2.gz QULDQFFCAQCNOS-UHFFFAOYSA-N 0 0 244.294 3.537 20 30 BHEDRN CC(C)(C)c1ccn(CCCC(C)(C)C#N)n1 ZINC000596285763 348488188 /nfs/dbraw/zinc/48/81/88/348488188.db2.gz OPYFVTGLQGXJHV-UHFFFAOYSA-N 0 0 233.359 3.511 20 30 BHEDRN N#Cc1cc(Cl)ccc1N1C[C@@H]2CCCC[C@@H]21 ZINC000596294244 348489860 /nfs/dbraw/zinc/48/98/60/348489860.db2.gz IJRVQUAKJCDKEE-GWCFXTLKSA-N 0 0 246.741 3.590 20 30 BHEDRN N#Cc1cccc(Cl)c1N1C[C@@H]2CCCC[C@@H]21 ZINC000596294270 348489890 /nfs/dbraw/zinc/48/98/90/348489890.db2.gz JHHRLWVLRFQGHQ-AAEUAGOBSA-N 0 0 246.741 3.590 20 30 BHEDRN N#Cc1c(Cl)cccc1N1C[C@@H]2CCCC[C@@H]21 ZINC000596295030 348489720 /nfs/dbraw/zinc/48/97/20/348489720.db2.gz NQKBIGFIQIRSTJ-GWCFXTLKSA-N 0 0 246.741 3.590 20 30 BHEDRN C=Cc1ccccc1OCCC(C)(C)C#N ZINC000596295067 348489888 /nfs/dbraw/zinc/48/98/88/348489888.db2.gz OJYWDHJKXVBJIL-UHFFFAOYSA-N 0 0 215.296 3.648 20 30 BHEDRN N#Cc1ccc(N2C[C@@H]3CCCC[C@@H]32)cc1Cl ZINC000596295521 348489797 /nfs/dbraw/zinc/48/97/97/348489797.db2.gz VSUPTOAAFAIKFZ-FZMZJTMJSA-N 0 0 246.741 3.590 20 30 BHEDRN 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348503541 /nfs/dbraw/zinc/50/35/41/348503541.db2.gz AUJWFGYKYDHYFV-UHFFFAOYSA-N 0 0 239.677 3.672 20 30 BHEDRN C=CC[C@H]1CCCC[C@H]1Nc1ncccc1C#N ZINC000596310470 348504052 /nfs/dbraw/zinc/50/40/52/348504052.db2.gz GJGWECOORDCFHW-GXTWGEPZSA-N 0 0 241.338 3.500 20 30 BHEDRN C=CC[C@H]1CCCC[C@@H]1Nc1ncccc1C#N ZINC000596310471 348504011 /nfs/dbraw/zinc/50/40/11/348504011.db2.gz GJGWECOORDCFHW-JSGCOSHPSA-N 0 0 241.338 3.500 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1Nc1ncccc1C#N ZINC000596310472 348504063 /nfs/dbraw/zinc/50/40/63/348504063.db2.gz GJGWECOORDCFHW-OCCSQVGLSA-N 0 0 241.338 3.500 20 30 BHEDRN C=CC[C@@H]1CCCC[C@H]1Nc1ncccc1C#N ZINC000596310473 348504098 /nfs/dbraw/zinc/50/40/98/348504098.db2.gz GJGWECOORDCFHW-TZMCWYRMSA-N 0 0 241.338 3.500 20 30 BHEDRN C=CC[C@H]1CCCC[C@@H]1Nc1cc(C#N)ccn1 ZINC000596310507 348504096 /nfs/dbraw/zinc/50/40/96/348504096.db2.gz HKTXJEOWNUOBIY-KBPBESRZSA-N 0 0 241.338 3.500 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1Nc1cc(C#N)ccn1 ZINC000596310508 348504183 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ZINC000596338864 348498565 /nfs/dbraw/zinc/49/85/65/348498565.db2.gz ZNYSJXRMNQEBSN-UHFFFAOYSA-N 0 0 235.377 3.758 20 30 BHEDRN N#Cc1ccc(CCSCC2CCC2)cc1 ZINC000596340025 348499044 /nfs/dbraw/zinc/49/90/44/348499044.db2.gz BIBLQBSKCLGQTG-UHFFFAOYSA-N 0 0 231.364 3.634 20 30 BHEDRN C=CCCSC[C@@H](OC)C1CCCC1 ZINC000596341053 348499596 /nfs/dbraw/zinc/49/95/96/348499596.db2.gz AAUMKGYGWOWVRW-GFCCVEGCSA-N 0 0 214.374 3.501 20 30 BHEDRN C=CCCSC[C@H](OC)C1CCCC1 ZINC000596341054 348499763 /nfs/dbraw/zinc/49/97/63/348499763.db2.gz AAUMKGYGWOWVRW-LBPRGKRZSA-N 0 0 214.374 3.501 20 30 BHEDRN C=CCCSCCOCc1ccccc1 ZINC000596342199 348500095 /nfs/dbraw/zinc/50/00/95/348500095.db2.gz KQBGPEZDWRDQGL-UHFFFAOYSA-N 0 0 222.353 3.513 20 30 BHEDRN C=CCCCSCc1cc(C2CC2)no1 ZINC000596342426 348499916 /nfs/dbraw/zinc/49/99/16/348499916.db2.gz LITNDZZMGLBBQK-UHFFFAOYSA-N 0 0 223.341 3.751 20 30 BHEDRN C=CCCSCc1ccc(F)cc1[N+](=O)[O-] ZINC000596342719 348500553 /nfs/dbraw/zinc/50/05/53/348500553.db2.gz 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ZINC000596343808 348500874 /nfs/dbraw/zinc/50/08/74/348500874.db2.gz XBELFMZDBCJOKF-VIFPVBQESA-N 0 0 208.317 3.977 20 30 BHEDRN C=CCCCSCC[C@H]1CCCCO1 ZINC000596344017 348501595 /nfs/dbraw/zinc/50/15/95/348501595.db2.gz ZPYAAOYKRGNLPR-GFCCVEGCSA-N 0 0 214.374 3.645 20 30 BHEDRN C=CCCCSCC[C@@H]1CCCCO1 ZINC000596344018 348501451 /nfs/dbraw/zinc/50/14/51/348501451.db2.gz ZPYAAOYKRGNLPR-LBPRGKRZSA-N 0 0 214.374 3.645 20 30 BHEDRN C=C(C)CSCCOCc1ccccc1 ZINC000596345965 348502565 /nfs/dbraw/zinc/50/25/65/348502565.db2.gz DREXXXBGNLDGBW-UHFFFAOYSA-N 0 0 222.353 3.513 20 30 BHEDRN C=C(C)CSC[C@@H](OC)C1CCCC1 ZINC000596346568 348502532 /nfs/dbraw/zinc/50/25/32/348502532.db2.gz HDSSANGLFFRELL-GFCCVEGCSA-N 0 0 214.374 3.501 20 30 BHEDRN C=C(C)CSC[C@H](OC)C1CCCC1 ZINC000596346569 348502284 /nfs/dbraw/zinc/50/22/84/348502284.db2.gz HDSSANGLFFRELL-LBPRGKRZSA-N 0 0 214.374 3.501 20 30 BHEDRN C=C(CC)CSC[C@@H](OC)C1CCC1 ZINC000596347456 348502829 /nfs/dbraw/zinc/50/28/29/348502829.db2.gz 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C=C(CC)CSCc1cnn(C(C)(C)C)c1 ZINC000596350011 348518313 /nfs/dbraw/zinc/51/83/13/348518313.db2.gz RNAAMRDHSCAGLX-UHFFFAOYSA-N 0 0 238.400 3.838 20 30 BHEDRN C=C(CC)CSCc1cc(C2CC2)no1 ZINC000596350073 348518332 /nfs/dbraw/zinc/51/83/32/348518332.db2.gz UUUDPOQJPNQZPU-UHFFFAOYSA-N 0 0 223.341 3.751 20 30 BHEDRN C=C(CC)CSCc1cnc2ccccc2n1 ZINC000596350678 348518716 /nfs/dbraw/zinc/51/87/16/348518716.db2.gz YIOUCRDEBGIJKO-UHFFFAOYSA-N 0 0 244.363 3.829 20 30 BHEDRN N#CCC1(CSCCc2ccccc2)CC1 ZINC000596351603 348519181 /nfs/dbraw/zinc/51/91/81/348519181.db2.gz YILLIXYHOZHZFV-UHFFFAOYSA-N 0 0 231.364 3.656 20 30 BHEDRN CC(C)(C)CCSCC1(CC#N)CC1 ZINC000596354929 348520698 /nfs/dbraw/zinc/52/06/98/348520698.db2.gz AIQMJFXHKRIHAZ-UHFFFAOYSA-N 0 0 211.374 3.850 20 30 BHEDRN C=CCCCCCSCc1conc1C ZINC000596355236 348520546 /nfs/dbraw/zinc/52/05/46/348520546.db2.gz BDMMVPSLJUZGJE-UHFFFAOYSA-N 0 0 225.357 3.963 20 30 BHEDRN C=CCCCCCSCC1(C)COC1 ZINC000596357080 348521871 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SIYWJCSMQXYWOL-LBPRGKRZSA-N 0 0 248.738 3.606 20 30 BHEDRN CC[C@@H](C#N)Sc1ccc(Cl)cc1C#N ZINC000601914743 349379199 /nfs/dbraw/zinc/37/91/99/349379199.db2.gz XQJVMMFNEUAQOW-JTQLQIEISA-N 0 0 236.727 3.606 20 30 BHEDRN CC[C@H](C#N)Sc1ccc(Cl)cc1C#N ZINC000601914750 349379173 /nfs/dbraw/zinc/37/91/73/349379173.db2.gz XQJVMMFNEUAQOW-SNVBAGLBSA-N 0 0 236.727 3.606 20 30 BHEDRN CCc1cc(-c2ccccc2)n([C@H](C)CC#N)n1 ZINC000601934473 349388227 /nfs/dbraw/zinc/38/82/27/349388227.db2.gz AZMTWNNTKZPRIA-GFCCVEGCSA-N 0 0 239.322 3.587 20 30 BHEDRN CCc1cc(-c2ccccc2)n([C@@H](C)CC#N)n1 ZINC000601934474 349388062 /nfs/dbraw/zinc/38/80/62/349388062.db2.gz AZMTWNNTKZPRIA-LBPRGKRZSA-N 0 0 239.322 3.587 20 30 BHEDRN Cc1cc(-c2ccccc2C)n([C@H](C)CC#N)n1 ZINC000601936496 349390598 /nfs/dbraw/zinc/39/05/98/349390598.db2.gz RPVUXFHFGFPTNN-CYBMUJFWSA-N 0 0 239.322 3.642 20 30 BHEDRN Cc1cc(-c2ccccc2C)n([C@@H](C)CC#N)n1 ZINC000601936497 349390256 /nfs/dbraw/zinc/39/02/56/349390256.db2.gz RPVUXFHFGFPTNN-ZDUSSCGKSA-N 0 0 239.322 3.642 20 30 BHEDRN Cc1cc(-c2ccc(C)cc2)n([C@H](C)CC#N)n1 ZINC000601937136 349391083 /nfs/dbraw/zinc/39/10/83/349391083.db2.gz ZIVQGYXNQHBDNO-CYBMUJFWSA-N 0 0 239.322 3.642 20 30 BHEDRN Cc1cc(-c2ccc(C)cc2)n([C@@H](C)CC#N)n1 ZINC000601937137 349391022 /nfs/dbraw/zinc/39/10/22/349391022.db2.gz ZIVQGYXNQHBDNO-ZDUSSCGKSA-N 0 0 239.322 3.642 20 30 BHEDRN CC(C)=C(C)CC(=O)Nc1cc(C#N)ccc1C ZINC000602084941 369743857 /nfs/dbraw/zinc/74/38/57/369743857.db2.gz IWMFCWDPYMGDPT-UHFFFAOYSA-N 0 0 242.322 3.552 20 30 BHEDRN C=CCc1cc([N+](=O)[O-])ccc1OCCCC ZINC000602223185 349480111 /nfs/dbraw/zinc/48/01/11/349480111.db2.gz SUVBVPZFIIDGBZ-UHFFFAOYSA-N 0 0 235.283 3.502 20 30 BHEDRN Cc1scc(CN(CC#N)C2CCCC2)c1C ZINC000602475439 349563524 /nfs/dbraw/zinc/56/35/24/349563524.db2.gz AYPWUVDVXUWZRH-UHFFFAOYSA-N 0 0 248.395 3.633 20 30 BHEDRN CCOc1cccc(NC2CCC(C#N)CC2)c1 ZINC000602482434 385797043 /nfs/dbraw/zinc/79/70/43/385797043.db2.gz CGTDYBJPUDKCFS-UHFFFAOYSA-N 0 0 244.338 3.580 20 30 BHEDRN CSc1cccc(NC2CCC(C#N)CC2)c1 ZINC000602482525 385796586 /nfs/dbraw/zinc/79/65/86/385796586.db2.gz DBIAKBVADCMQIP-UHFFFAOYSA-N 0 0 246.379 3.903 20 30 BHEDRN CCc1cccc(NC2CCC(C#N)CC2)c1 ZINC000602483124 349566358 /nfs/dbraw/zinc/56/63/58/349566358.db2.gz FRWWUGVOIYHJCM-UHFFFAOYSA-N 0 0 228.339 3.743 20 30 BHEDRN CCc1cccc(NC[C@H](C)CCC#N)c1 ZINC000602484134 349567267 /nfs/dbraw/zinc/56/72/67/349567267.db2.gz NIFZHPNXIFZUFH-GFCCVEGCSA-N 0 0 216.328 3.601 20 30 BHEDRN CCc1cccc(NC[C@@H](C)CCC#N)c1 ZINC000602484137 349567430 /nfs/dbraw/zinc/56/74/30/349567430.db2.gz NIFZHPNXIFZUFH-LBPRGKRZSA-N 0 0 216.328 3.601 20 30 BHEDRN CSc1ccc(NC[C@H](C)CCC#N)cc1 ZINC000602484180 349567158 /nfs/dbraw/zinc/56/71/58/349567158.db2.gz OCNLMPNKOZWEHO-LLVKDONJSA-N 0 0 234.368 3.760 20 30 BHEDRN CSc1ccc(NC[C@@H](C)CCC#N)cc1 ZINC000602484181 349567335 /nfs/dbraw/zinc/56/73/35/349567335.db2.gz OCNLMPNKOZWEHO-NSHDSACASA-N 0 0 234.368 3.760 20 30 BHEDRN CCCOc1cccc(NC[C@H](C)CCC#N)c1 ZINC000602484636 349567464 /nfs/dbraw/zinc/56/74/64/349567464.db2.gz OELDXXHDULMJKS-CYBMUJFWSA-N 0 0 246.354 3.827 20 30 BHEDRN CCCOc1cccc(NC[C@@H](C)CCC#N)c1 ZINC000602484639 349567331 /nfs/dbraw/zinc/56/73/31/349567331.db2.gz OELDXXHDULMJKS-ZDUSSCGKSA-N 0 0 246.354 3.827 20 30 BHEDRN CCc1ccc(NC[C@H](C)CCC#N)cc1 ZINC000602485510 349568269 /nfs/dbraw/zinc/56/82/69/349568269.db2.gz UKRGPVGPXNXKRI-GFCCVEGCSA-N 0 0 216.328 3.601 20 30 BHEDRN CCc1ccc(NC[C@@H](C)CCC#N)cc1 ZINC000602485511 349567985 /nfs/dbraw/zinc/56/79/85/349567985.db2.gz UKRGPVGPXNXKRI-LBPRGKRZSA-N 0 0 216.328 3.601 20 30 BHEDRN Cc1cc(C)cc(NC[C@H](C)CCC#N)c1 ZINC000602485534 349568096 /nfs/dbraw/zinc/56/80/96/349568096.db2.gz UYWWGICLCDVDDE-LLVKDONJSA-N 0 0 216.328 3.655 20 30 BHEDRN Cc1cc(C)cc(NC[C@@H](C)CCC#N)c1 ZINC000602485535 349568227 /nfs/dbraw/zinc/56/82/27/349568227.db2.gz UYWWGICLCDVDDE-NSHDSACASA-N 0 0 216.328 3.655 20 30 BHEDRN Cc1ccc(NC2CCC(C#N)CC2)cc1F ZINC000602485844 349568524 /nfs/dbraw/zinc/56/85/24/349568524.db2.gz VWFVAYRWVLLNNJ-UHFFFAOYSA-N 0 0 232.302 3.628 20 30 BHEDRN CSc1cccc(NC[C@H](C)CCC#N)c1 ZINC000602486030 349568596 /nfs/dbraw/zinc/56/85/96/349568596.db2.gz XFNPDVYTZIWVFF-LLVKDONJSA-N 0 0 234.368 3.760 20 30 BHEDRN CSc1cccc(NC[C@@H](C)CCC#N)c1 ZINC000602486031 349568177 /nfs/dbraw/zinc/56/81/77/349568177.db2.gz XFNPDVYTZIWVFF-NSHDSACASA-N 0 0 234.368 3.760 20 30 BHEDRN CC(C)Oc1ccccc1NC[C@H](C)CCC#N ZINC000602486758 349568858 /nfs/dbraw/zinc/56/88/58/349568858.db2.gz IIUSVPWLMHYGQL-CYBMUJFWSA-N 0 0 246.354 3.826 20 30 BHEDRN CC(C)Oc1ccccc1NC[C@@H](C)CCC#N ZINC000602486760 349568824 /nfs/dbraw/zinc/56/88/24/349568824.db2.gz IIUSVPWLMHYGQL-ZDUSSCGKSA-N 0 0 246.354 3.826 20 30 BHEDRN CCCOc1ccccc1NC[C@H](C)CCC#N ZINC000602487697 349568828 /nfs/dbraw/zinc/56/88/28/349568828.db2.gz NTPFOTWXUCORKL-CYBMUJFWSA-N 0 0 246.354 3.827 20 30 BHEDRN CCCOc1ccccc1NC[C@@H](C)CCC#N ZINC000602487698 349569633 /nfs/dbraw/zinc/56/96/33/349569633.db2.gz NTPFOTWXUCORKL-ZDUSSCGKSA-N 0 0 246.354 3.827 20 30 BHEDRN C[C@@H](CCC#N)CNc1cccc(Cl)c1 ZINC000602488703 349570088 /nfs/dbraw/zinc/57/00/88/349570088.db2.gz XQXPKTDCIREOSD-JTQLQIEISA-N 0 0 222.719 3.692 20 30 BHEDRN C[C@H](CCC#N)CNc1cccc(Cl)c1 ZINC000602488704 349570332 /nfs/dbraw/zinc/57/03/32/349570332.db2.gz XQXPKTDCIREOSD-SNVBAGLBSA-N 0 0 222.719 3.692 20 30 BHEDRN CSc1ccccc1NC1CCC(C#N)CC1 ZINC000602488879 349570562 /nfs/dbraw/zinc/57/05/62/349570562.db2.gz AWBNDYCHFWQTCY-UHFFFAOYSA-N 0 0 246.379 3.903 20 30 BHEDRN C[C@@H](CCC#N)CNc1ccccc1Cl ZINC000602488898 349570045 /nfs/dbraw/zinc/57/00/45/349570045.db2.gz BPHBSFTUKATUKN-JTQLQIEISA-N 0 0 222.719 3.692 20 30 BHEDRN C[C@H](CCC#N)CNc1ccccc1Cl ZINC000602488899 349570306 /nfs/dbraw/zinc/57/03/06/349570306.db2.gz BPHBSFTUKATUKN-SNVBAGLBSA-N 0 0 222.719 3.692 20 30 BHEDRN Cc1ccc(F)cc1NC1CCC(C#N)CC1 ZINC000602489079 349570153 /nfs/dbraw/zinc/57/01/53/349570153.db2.gz FIQLYYALBJBMEC-UHFFFAOYSA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1cc(F)cc(NC2CCC(C#N)CC2)c1 ZINC000602489399 349570092 /nfs/dbraw/zinc/57/00/92/349570092.db2.gz JIERYQNZSNBWDM-UHFFFAOYSA-N 0 0 232.302 3.628 20 30 BHEDRN Cc1ccc(C)c(NC[C@H](C)CCC#N)c1 ZINC000602489749 349570337 /nfs/dbraw/zinc/57/03/37/349570337.db2.gz OTFKKWAOEPEATN-GFCCVEGCSA-N 0 0 216.328 3.655 20 30 BHEDRN Cc1ccc(C)c(NC[C@@H](C)CCC#N)c1 ZINC000602489750 349570329 /nfs/dbraw/zinc/57/03/29/349570329.db2.gz OTFKKWAOEPEATN-LBPRGKRZSA-N 0 0 216.328 3.655 20 30 BHEDRN CSCc1ccc(NC[C@H](C)CCC#N)cc1 ZINC000602489896 349570018 /nfs/dbraw/zinc/57/00/18/349570018.db2.gz FOGAXOYQAPFRJL-GFCCVEGCSA-N 0 0 248.395 3.901 20 30 BHEDRN CSCc1ccc(NC[C@@H](C)CCC#N)cc1 ZINC000602489899 349570232 /nfs/dbraw/zinc/57/02/32/349570232.db2.gz FOGAXOYQAPFRJL-LBPRGKRZSA-N 0 0 248.395 3.901 20 30 BHEDRN CSc1ccccc1NC[C@H](C)CCC#N ZINC000602490294 349571231 /nfs/dbraw/zinc/57/12/31/349571231.db2.gz QGYDRXVUZIHPLH-LLVKDONJSA-N 0 0 234.368 3.760 20 30 BHEDRN CSc1ccccc1NC[C@@H](C)CCC#N ZINC000602490295 349571216 /nfs/dbraw/zinc/57/12/16/349571216.db2.gz QGYDRXVUZIHPLH-NSHDSACASA-N 0 0 234.368 3.760 20 30 BHEDRN Cc1c(F)cccc1NC1CCC(C#N)CC1 ZINC000602490467 349571052 /nfs/dbraw/zinc/57/10/52/349571052.db2.gz DFMAGBUCUSFYGC-UHFFFAOYSA-N 0 0 232.302 3.628 20 30 BHEDRN CO[C@H](C)c1cccc(NC[C@H](C)CCC#N)c1 ZINC000602490989 349571042 /nfs/dbraw/zinc/57/10/42/349571042.db2.gz MBYHKSULBBQURW-CHWSQXEVSA-N 0 0 246.354 3.746 20 30 BHEDRN CO[C@@H](C)c1cccc(NC[C@H](C)CCC#N)c1 ZINC000602490990 349571047 /nfs/dbraw/zinc/57/10/47/349571047.db2.gz MBYHKSULBBQURW-OLZOCXBDSA-N 0 0 246.354 3.746 20 30 BHEDRN CO[C@H](C)c1cccc(NC[C@@H](C)CCC#N)c1 ZINC000602490991 349571121 /nfs/dbraw/zinc/57/11/21/349571121.db2.gz MBYHKSULBBQURW-QWHCGFSZSA-N 0 0 246.354 3.746 20 30 BHEDRN CO[C@@H](C)c1cccc(NC[C@@H](C)CCC#N)c1 ZINC000602490992 349571161 /nfs/dbraw/zinc/57/11/61/349571161.db2.gz MBYHKSULBBQURW-STQMWFEESA-N 0 0 246.354 3.746 20 30 BHEDRN CCOCc1cccc(NC[C@H](C)CCC#N)c1 ZINC000602490999 349571249 /nfs/dbraw/zinc/57/12/49/349571249.db2.gz MJODPAVUJZMJDO-CYBMUJFWSA-N 0 0 246.354 3.575 20 30 BHEDRN CCOCc1cccc(NC[C@@H](C)CCC#N)c1 ZINC000602491000 349571234 /nfs/dbraw/zinc/57/12/34/349571234.db2.gz MJODPAVUJZMJDO-ZDUSSCGKSA-N 0 0 246.354 3.575 20 30 BHEDRN C[C@H](CCC#N)CNc1cc(F)cc(Cl)c1 ZINC000602491229 349571326 /nfs/dbraw/zinc/57/13/26/349571326.db2.gz ZNRGGYPXZQHXCW-SECBINFHSA-N 0 0 240.709 3.831 20 30 BHEDRN C[C@@H](CCC#N)CNc1cc(F)cc(Cl)c1 ZINC000602491231 349571353 /nfs/dbraw/zinc/57/13/53/349571353.db2.gz ZNRGGYPXZQHXCW-VIFPVBQESA-N 0 0 240.709 3.831 20 30 BHEDRN Cc1cc(F)ccc1NC1CCC(C#N)CC1 ZINC000602492087 349571832 /nfs/dbraw/zinc/57/18/32/349571832.db2.gz LZZKFZKLHVZSOY-UHFFFAOYSA-N 0 0 232.302 3.628 20 30 BHEDRN CCc1ccc(NC[C@H](C)CCC#N)cc1F ZINC000602492102 349572192 /nfs/dbraw/zinc/57/21/92/349572192.db2.gz MLZQELGOKMYOJS-LLVKDONJSA-N 0 0 234.318 3.740 20 30 BHEDRN CCc1ccc(NC[C@@H](C)CCC#N)cc1F ZINC000602492103 349572052 /nfs/dbraw/zinc/57/20/52/349572052.db2.gz MLZQELGOKMYOJS-NSHDSACASA-N 0 0 234.318 3.740 20 30 BHEDRN CCOc1cc(C)ccc1NC[C@H](C)CCC#N ZINC000602492327 349571776 /nfs/dbraw/zinc/57/17/76/349571776.db2.gz PLMDJJXOUPWSCF-CYBMUJFWSA-N 0 0 246.354 3.746 20 30 BHEDRN CCOc1cc(C)ccc1NC[C@@H](C)CCC#N ZINC000602492328 349571861 /nfs/dbraw/zinc/57/18/61/349571861.db2.gz PLMDJJXOUPWSCF-ZDUSSCGKSA-N 0 0 246.354 3.746 20 30 BHEDRN CCc1ccc(NC2CCC(C#N)CC2)cc1F ZINC000602492601 349571952 /nfs/dbraw/zinc/57/19/52/349571952.db2.gz NHCMEQKHFRMHHO-UHFFFAOYSA-N 0 0 246.329 3.882 20 30 BHEDRN Cc1ccc(NC[C@H](C)CCC#N)c(C)c1 ZINC000602492759 349571836 /nfs/dbraw/zinc/57/18/36/349571836.db2.gz QAUAXNNGVHHQDL-GFCCVEGCSA-N 0 0 216.328 3.655 20 30 BHEDRN Cc1ccc(NC[C@@H](C)CCC#N)c(C)c1 ZINC000602492760 349571747 /nfs/dbraw/zinc/57/17/47/349571747.db2.gz QAUAXNNGVHHQDL-LBPRGKRZSA-N 0 0 216.328 3.655 20 30 BHEDRN C[C@@H](CCC#N)CNc1cccc(C(F)F)c1 ZINC000602492844 349572298 /nfs/dbraw/zinc/57/22/98/349572298.db2.gz YTUHKCWQUQVMOW-JTQLQIEISA-N 0 0 238.281 3.976 20 30 BHEDRN C[C@H](CCC#N)CNc1cccc(C(F)F)c1 ZINC000602492845 349571855 /nfs/dbraw/zinc/57/18/55/349571855.db2.gz YTUHKCWQUQVMOW-SNVBAGLBSA-N 0 0 238.281 3.976 20 30 BHEDRN Cc1ccc(NC2CCC(C#N)CC2)c(F)c1 ZINC000602493198 349572088 /nfs/dbraw/zinc/57/20/88/349572088.db2.gz QHPLMRUUFIVPCZ-UHFFFAOYSA-N 0 0 232.302 3.628 20 30 BHEDRN CCOc1cc(NC[C@H](C)CCC#N)ccc1C ZINC000602493587 349572741 /nfs/dbraw/zinc/57/27/41/349572741.db2.gz CHBFBPOVVUHGED-GFCCVEGCSA-N 0 0 246.354 3.746 20 30 BHEDRN CCOc1cc(NC[C@@H](C)CCC#N)ccc1C ZINC000602493590 349572844 /nfs/dbraw/zinc/57/28/44/349572844.db2.gz CHBFBPOVVUHGED-LBPRGKRZSA-N 0 0 246.354 3.746 20 30 BHEDRN C[C@@H](CCC#N)CNc1ccc(Cl)cc1 ZINC000602494558 398072997 /nfs/dbraw/zinc/07/29/97/398072997.db2.gz ZYWGCLOOFRMZOT-JTQLQIEISA-N 0 0 222.719 3.692 20 30 BHEDRN C[C@H](CCC#N)CNc1ccc(Cl)cc1 ZINC000602494559 398072950 /nfs/dbraw/zinc/07/29/50/398072950.db2.gz ZYWGCLOOFRMZOT-SNVBAGLBSA-N 0 0 222.719 3.692 20 30 BHEDRN COc1c(C)ccc(NC[C@H](C)CCC#N)c1C ZINC000602494902 385795354 /nfs/dbraw/zinc/79/53/54/385795354.db2.gz QORMQIHASPJRFI-LLVKDONJSA-N 0 0 246.354 3.664 20 30 BHEDRN COc1c(C)ccc(NC[C@@H](C)CCC#N)c1C ZINC000602494903 385794866 /nfs/dbraw/zinc/79/48/66/385794866.db2.gz QORMQIHASPJRFI-NSHDSACASA-N 0 0 246.354 3.664 20 30 BHEDRN Cc1cccc(NC[C@H](C)CCC#N)c1C ZINC000602495449 385795372 /nfs/dbraw/zinc/79/53/72/385795372.db2.gz UYUFQAYZUZBSNP-LLVKDONJSA-N 0 0 216.328 3.655 20 30 BHEDRN Cc1cccc(NC[C@@H](C)CCC#N)c1C ZINC000602495450 385794560 /nfs/dbraw/zinc/79/45/60/385794560.db2.gz UYUFQAYZUZBSNP-NSHDSACASA-N 0 0 216.328 3.655 20 30 BHEDRN Cc1ccc(NC[C@H](C)CCC#N)cc1C ZINC000602495472 385794953 /nfs/dbraw/zinc/79/49/53/385794953.db2.gz VMCAJLGZYRMTOP-LLVKDONJSA-N 0 0 216.328 3.655 20 30 BHEDRN Cc1ccc(NC[C@@H](C)CCC#N)cc1C ZINC000602495473 385795256 /nfs/dbraw/zinc/79/52/56/385795256.db2.gz VMCAJLGZYRMTOP-NSHDSACASA-N 0 0 216.328 3.655 20 30 BHEDRN CCc1ccccc1NC[C@H](C)CCC#N ZINC000602495839 385795186 /nfs/dbraw/zinc/79/51/86/385795186.db2.gz XTXUUOYEMTYPIP-GFCCVEGCSA-N 0 0 216.328 3.601 20 30 BHEDRN CCc1ccccc1NC[C@@H](C)CCC#N ZINC000602495840 385795026 /nfs/dbraw/zinc/79/50/26/385795026.db2.gz XTXUUOYEMTYPIP-LBPRGKRZSA-N 0 0 216.328 3.601 20 30 BHEDRN CSCc1cccc(NC[C@H](C)CCC#N)c1 ZINC000602496146 349558924 /nfs/dbraw/zinc/55/89/24/349558924.db2.gz PGWJJARZABFENS-GFCCVEGCSA-N 0 0 248.395 3.901 20 30 BHEDRN CSCc1cccc(NC[C@@H](C)CCC#N)c1 ZINC000602496150 349558757 /nfs/dbraw/zinc/55/87/57/349558757.db2.gz PGWJJARZABFENS-LBPRGKRZSA-N 0 0 248.395 3.901 20 30 BHEDRN Cc1cccc(NC2CCC(C#N)CC2)c1F ZINC000602507516 349583683 /nfs/dbraw/zinc/58/36/83/349583683.db2.gz TUXHCFLGNPTZSY-UHFFFAOYSA-N 0 0 232.302 3.628 20 30 BHEDRN C[C@H](CCC#N)CNc1cccc2cccnc21 ZINC000602519062 349573773 /nfs/dbraw/zinc/57/37/73/349573773.db2.gz UYTLEZPJJVPGBQ-GFCCVEGCSA-N 0 0 239.322 3.587 20 30 BHEDRN C[C@@H](CCC#N)CNc1cccc2cccnc21 ZINC000602519063 349574446 /nfs/dbraw/zinc/57/44/46/349574446.db2.gz UYTLEZPJJVPGBQ-LBPRGKRZSA-N 0 0 239.322 3.587 20 30 BHEDRN C[C@H](CCC#N)CNc1ccc2c(c1)CCC2 ZINC000602521639 349575915 /nfs/dbraw/zinc/57/59/15/349575915.db2.gz PEBHKGCQNHGDEK-GFCCVEGCSA-N 0 0 228.339 3.527 20 30 BHEDRN C[C@@H](CCC#N)CNc1ccc2c(c1)CCC2 ZINC000602521641 349575907 /nfs/dbraw/zinc/57/59/07/349575907.db2.gz PEBHKGCQNHGDEK-LBPRGKRZSA-N 0 0 228.339 3.527 20 30 BHEDRN C[C@H](CCC#N)CNc1cncc2ccccc21 ZINC000602582839 349610077 /nfs/dbraw/zinc/61/00/77/349610077.db2.gz YANRDGGGWCWGCH-GFCCVEGCSA-N 0 0 239.322 3.587 20 30 BHEDRN C[C@@H](CCC#N)CNc1cncc2ccccc21 ZINC000602582840 349610042 /nfs/dbraw/zinc/61/00/42/349610042.db2.gz YANRDGGGWCWGCH-LBPRGKRZSA-N 0 0 239.322 3.587 20 30 BHEDRN CCc1ccc(NC[C@H](C)CCC#N)cc1C ZINC000602583828 349611185 /nfs/dbraw/zinc/61/11/85/349611185.db2.gz ZCOGJLZLNPHRTO-GFCCVEGCSA-N 0 0 230.355 3.909 20 30 BHEDRN CCc1ccc(NC[C@@H](C)CCC#N)cc1C ZINC000602583829 349610790 /nfs/dbraw/zinc/61/07/90/349610790.db2.gz ZCOGJLZLNPHRTO-LBPRGKRZSA-N 0 0 230.355 3.909 20 30 BHEDRN C[C@H](CCC#N)CNc1ccc(C2CC2)cc1 ZINC000602584175 349610716 /nfs/dbraw/zinc/61/07/16/349610716.db2.gz XOIPTUOHXYYEMN-GFCCVEGCSA-N 0 0 228.339 3.916 20 30 BHEDRN C[C@@H](CCC#N)CNc1ccc(C2CC2)cc1 ZINC000602584176 349610731 /nfs/dbraw/zinc/61/07/31/349610731.db2.gz XOIPTUOHXYYEMN-LBPRGKRZSA-N 0 0 228.339 3.916 20 30 BHEDRN C[C@H](CCC#N)CNc1cccc2ccncc21 ZINC000602587611 349612194 /nfs/dbraw/zinc/61/21/94/349612194.db2.gz IISDYUGARRCKKX-GFCCVEGCSA-N 0 0 239.322 3.587 20 30 BHEDRN C[C@@H](CCC#N)CNc1cccc2ccncc21 ZINC000602587613 349612176 /nfs/dbraw/zinc/61/21/76/349612176.db2.gz IISDYUGARRCKKX-LBPRGKRZSA-N 0 0 239.322 3.587 20 30 BHEDRN C[C@H](CCC#N)CNc1ccc2ncccc2c1 ZINC000602588733 349613405 /nfs/dbraw/zinc/61/34/05/349613405.db2.gz NLXPSYCRGFKENF-GFCCVEGCSA-N 0 0 239.322 3.587 20 30 BHEDRN C[C@@H](CCC#N)CNc1ccc2ncccc2c1 ZINC000602588735 349613352 /nfs/dbraw/zinc/61/33/52/349613352.db2.gz NLXPSYCRGFKENF-LBPRGKRZSA-N 0 0 239.322 3.587 20 30 BHEDRN C[C@H](CCC#N)CNc1cccc2ncccc21 ZINC000602588737 349613411 /nfs/dbraw/zinc/61/34/11/349613411.db2.gz NMDWSXKYHVASIP-GFCCVEGCSA-N 0 0 239.322 3.587 20 30 BHEDRN C[C@@H](CCC#N)CNc1cccc2ncccc21 ZINC000602588739 349613367 /nfs/dbraw/zinc/61/33/67/349613367.db2.gz NMDWSXKYHVASIP-LBPRGKRZSA-N 0 0 239.322 3.587 20 30 BHEDRN C[C@@H](CCC#N)CNc1ccc2ncsc2c1 ZINC000602591654 349615096 /nfs/dbraw/zinc/61/50/96/349615096.db2.gz XSXMIIHWLWRPIS-JTQLQIEISA-N 0 0 245.351 3.648 20 30 BHEDRN C[C@H](CCC#N)CNc1ccc2ncsc2c1 ZINC000602591658 349614898 /nfs/dbraw/zinc/61/48/98/349614898.db2.gz XSXMIIHWLWRPIS-SNVBAGLBSA-N 0 0 245.351 3.648 20 30 BHEDRN CCc1cc(NC[C@H](C)CCC#N)ccc1C ZINC000602606799 349629199 /nfs/dbraw/zinc/62/91/99/349629199.db2.gz XNVWINGMSZLVES-GFCCVEGCSA-N 0 0 230.355 3.909 20 30 BHEDRN CCc1cc(NC[C@@H](C)CCC#N)ccc1C ZINC000602606801 349629170 /nfs/dbraw/zinc/62/91/70/349629170.db2.gz XNVWINGMSZLVES-LBPRGKRZSA-N 0 0 230.355 3.909 20 30 BHEDRN CC(C)C1(CNc2ccc(CC#N)cc2)CC1 ZINC000602611457 349634686 /nfs/dbraw/zinc/63/46/86/349634686.db2.gz CMQHXWFYGHBHRO-UHFFFAOYSA-N 0 0 228.339 3.601 20 30 BHEDRN CSc1ccc(N(C)C[C@H](C)CCC#N)cc1 ZINC000602613716 349637305 /nfs/dbraw/zinc/63/73/05/349637305.db2.gz PFBYMAAKHADWGW-GFCCVEGCSA-N 0 0 248.395 3.785 20 30 BHEDRN CSc1ccc(N(C)C[C@@H](C)CCC#N)cc1 ZINC000602613717 349637254 /nfs/dbraw/zinc/63/72/54/349637254.db2.gz PFBYMAAKHADWGW-LBPRGKRZSA-N 0 0 248.395 3.785 20 30 BHEDRN N#CC1CCC(Nc2cccc3cc[nH]c32)CC1 ZINC000602613953 349637399 /nfs/dbraw/zinc/63/73/99/349637399.db2.gz BJLWCGUINBVJKB-UHFFFAOYSA-N 0 0 239.322 3.662 20 30 BHEDRN C[C@H](CCC#N)CNc1cccc2cc[nH]c21 ZINC000602616896 349638947 /nfs/dbraw/zinc/63/89/47/349638947.db2.gz RFEWTGXKJMKGKA-LLVKDONJSA-N 0 0 227.311 3.520 20 30 BHEDRN C[C@@H](CCC#N)CNc1cccc2cc[nH]c21 ZINC000602616897 349638962 /nfs/dbraw/zinc/63/89/62/349638962.db2.gz RFEWTGXKJMKGKA-NSHDSACASA-N 0 0 227.311 3.520 20 30 BHEDRN C[C@H](CCC#N)CNc1cnc2ccccc2c1 ZINC000602617428 349638980 /nfs/dbraw/zinc/63/89/80/349638980.db2.gz OUWBYMNFQWWABL-GFCCVEGCSA-N 0 0 239.322 3.587 20 30 BHEDRN C[C@@H](CCC#N)CNc1cnc2ccccc2c1 ZINC000602617431 349639148 /nfs/dbraw/zinc/63/91/48/349639148.db2.gz OUWBYMNFQWWABL-LBPRGKRZSA-N 0 0 239.322 3.587 20 30 BHEDRN CC[C@H](C)n1ncc(NC[C@H](C)CCC#N)c1C ZINC000602629423 349665200 /nfs/dbraw/zinc/66/52/00/349665200.db2.gz GLVHYMOPJWHXAY-NEPJUHHUSA-N 0 0 248.374 3.514 20 30 BHEDRN CC[C@@H](C)n1ncc(NC[C@@H](C)CCC#N)c1C ZINC000602629424 349664980 /nfs/dbraw/zinc/66/49/80/349664980.db2.gz GLVHYMOPJWHXAY-NWDGAFQWSA-N 0 0 248.374 3.514 20 30 BHEDRN CC[C@H](C)n1ncc(NC[C@@H](C)CCC#N)c1C ZINC000602629425 349665202 /nfs/dbraw/zinc/66/52/02/349665202.db2.gz GLVHYMOPJWHXAY-RYUDHWBXSA-N 0 0 248.374 3.514 20 30 BHEDRN CC[C@@H](C)n1ncc(NC[C@H](C)CCC#N)c1C ZINC000602629426 349665092 /nfs/dbraw/zinc/66/50/92/349665092.db2.gz GLVHYMOPJWHXAY-VXGBXAGGSA-N 0 0 248.374 3.514 20 30 BHEDRN C[C@H](CCC#N)CNc1cccc2ccn(C)c21 ZINC000602633760 349649648 /nfs/dbraw/zinc/64/96/48/349649648.db2.gz YTJIMHMUTIWECC-GFCCVEGCSA-N 0 0 241.338 3.530 20 30 BHEDRN C[C@@H](CCC#N)CNc1cccc2ccn(C)c21 ZINC000602633761 349649700 /nfs/dbraw/zinc/64/97/00/349649700.db2.gz YTJIMHMUTIWECC-LBPRGKRZSA-N 0 0 241.338 3.530 20 30 BHEDRN COc1cc(C)cc(NC[C@H](C)CCC#N)c1C ZINC000602641528 349653656 /nfs/dbraw/zinc/65/36/56/349653656.db2.gz SKZMWUBDFFFLQQ-LLVKDONJSA-N 0 0 246.354 3.664 20 30 BHEDRN COc1cc(C)cc(NC[C@@H](C)CCC#N)c1C ZINC000602641535 349653935 /nfs/dbraw/zinc/65/39/35/349653935.db2.gz SKZMWUBDFFFLQQ-NSHDSACASA-N 0 0 246.354 3.664 20 30 BHEDRN COc1cc(NC[C@H](C)CCC#N)c(C)cc1C ZINC000602644835 349656859 /nfs/dbraw/zinc/65/68/59/349656859.db2.gz OMUHJDGOKSLJTC-LLVKDONJSA-N 0 0 246.354 3.664 20 30 BHEDRN COc1cc(NC[C@@H](C)CCC#N)c(C)cc1C ZINC000602644837 349657029 /nfs/dbraw/zinc/65/70/29/349657029.db2.gz OMUHJDGOKSLJTC-NSHDSACASA-N 0 0 246.354 3.664 20 30 BHEDRN C[C@H](CCC#N)CN(C)c1ccc2cc[nH]c2c1 ZINC000602648936 349658875 /nfs/dbraw/zinc/65/88/75/349658875.db2.gz PUQZKTGGIRKOFU-GFCCVEGCSA-N 0 0 241.338 3.544 20 30 BHEDRN C[C@@H](CCC#N)CN(C)c1ccc2cc[nH]c2c1 ZINC000602649726 349658505 /nfs/dbraw/zinc/65/85/05/349658505.db2.gz PUQZKTGGIRKOFU-LBPRGKRZSA-N 0 0 241.338 3.544 20 30 BHEDRN CCc1cc(NC2CCC(C#N)CC2)ccc1F ZINC000602660588 349680040 /nfs/dbraw/zinc/68/00/40/349680040.db2.gz GFMQHXTYSOKXCK-UHFFFAOYSA-N 0 0 246.329 3.882 20 30 BHEDRN CCc1cc(NC[C@H](C)CCC#N)ccc1F ZINC000602661166 349681211 /nfs/dbraw/zinc/68/12/11/349681211.db2.gz KBHIHTNSAQCFFK-LLVKDONJSA-N 0 0 234.318 3.740 20 30 BHEDRN CCc1cc(NC[C@@H](C)CCC#N)ccc1F ZINC000602661167 349681091 /nfs/dbraw/zinc/68/10/91/349681091.db2.gz KBHIHTNSAQCFFK-NSHDSACASA-N 0 0 234.318 3.740 20 30 BHEDRN Cc1c(Cl)cncc1NC1CCC(C#N)CC1 ZINC000602671560 349665876 /nfs/dbraw/zinc/66/58/76/349665876.db2.gz LFDRAVALBFYACO-UHFFFAOYSA-N 0 0 249.745 3.538 20 30 BHEDRN CC(C)Oc1cccc(NC[C@H](C)CCC#N)c1 ZINC000602675335 349668440 /nfs/dbraw/zinc/66/84/40/349668440.db2.gz MQAXNYUGCNBMJM-CYBMUJFWSA-N 0 0 246.354 3.826 20 30 BHEDRN CC(C)Oc1cccc(NC[C@@H](C)CCC#N)c1 ZINC000602675336 349668395 /nfs/dbraw/zinc/66/83/95/349668395.db2.gz MQAXNYUGCNBMJM-ZDUSSCGKSA-N 0 0 246.354 3.826 20 30 BHEDRN CCc1ccc(NC[C@H](C)CCC#N)cc1OC ZINC000602679484 349672671 /nfs/dbraw/zinc/67/26/71/349672671.db2.gz FLMUGHCFEMKCDU-GFCCVEGCSA-N 0 0 246.354 3.609 20 30 BHEDRN CCc1ccc(NC[C@@H](C)CCC#N)cc1OC ZINC000602679485 349672890 /nfs/dbraw/zinc/67/28/90/349672890.db2.gz FLMUGHCFEMKCDU-LBPRGKRZSA-N 0 0 246.354 3.609 20 30 BHEDRN CC(C)C1(CNc2cccc(CC#N)c2)CC1 ZINC000602682972 349675303 /nfs/dbraw/zinc/67/53/03/349675303.db2.gz VQEVIBXDDZNGAU-UHFFFAOYSA-N 0 0 228.339 3.601 20 30 BHEDRN C[C@H](CCC#N)CN1Cc2ccc(Cl)cc2C1 ZINC000602686251 349677900 /nfs/dbraw/zinc/67/79/00/349677900.db2.gz ALVGHPBTGOXPRQ-LLVKDONJSA-N 0 0 248.757 3.595 20 30 BHEDRN C[C@@H](CCC#N)CN1Cc2ccc(Cl)cc2C1 ZINC000602686252 349677907 /nfs/dbraw/zinc/67/79/07/349677907.db2.gz ALVGHPBTGOXPRQ-NSHDSACASA-N 0 0 248.757 3.595 20 30 BHEDRN Cc1c(F)c(F)ccc1NC[C@H](C)CCC#N ZINC000602695325 349691781 /nfs/dbraw/zinc/69/17/81/349691781.db2.gz MLEVBMVYGQMNFU-SECBINFHSA-N 0 0 238.281 3.625 20 30 BHEDRN Cc1c(F)c(F)ccc1NC[C@@H](C)CCC#N ZINC000602695326 349691851 /nfs/dbraw/zinc/69/18/51/349691851.db2.gz MLEVBMVYGQMNFU-VIFPVBQESA-N 0 0 238.281 3.625 20 30 BHEDRN COc1cc(C)c(C)cc1NC[C@H](C)CCC#N ZINC000602707670 349700826 /nfs/dbraw/zinc/70/08/26/349700826.db2.gz OJICIJCZZPAYDP-LLVKDONJSA-N 0 0 246.354 3.664 20 30 BHEDRN COc1cc(C)c(C)cc1NC[C@@H](C)CCC#N ZINC000602707671 349701121 /nfs/dbraw/zinc/70/11/21/349701121.db2.gz OJICIJCZZPAYDP-NSHDSACASA-N 0 0 246.354 3.664 20 30 BHEDRN CN(CCCCC(C)(C)C#N)c1ccsc1 ZINC000602871374 349802538 /nfs/dbraw/zinc/80/25/38/349802538.db2.gz XLJVZPJQBDPPIZ-UHFFFAOYSA-N 0 0 236.384 3.904 20 30 BHEDRN CN(CCCC(C)(C)C#N)c1ccsc1 ZINC000602871508 349803624 /nfs/dbraw/zinc/80/36/24/349803624.db2.gz ZJSXEYPXZDRHGG-UHFFFAOYSA-N 0 0 222.357 3.514 20 30 BHEDRN C[C@H](C1CC1)N(CC1(C#N)CC1)c1ccccc1 ZINC000602931920 349823047 /nfs/dbraw/zinc/82/30/47/349823047.db2.gz KJLDCBYOPLSHNN-CYBMUJFWSA-N 0 0 240.350 3.595 20 30 BHEDRN C[C@@H](C1CC1)N(CC1(C#N)CC1)c1ccccc1 ZINC000602931921 349823605 /nfs/dbraw/zinc/82/36/05/349823605.db2.gz KJLDCBYOPLSHNN-ZDUSSCGKSA-N 0 0 240.350 3.595 20 30 BHEDRN N#CCCCCN(c1ccccc1)C1CCC1 ZINC000602963522 349826417 /nfs/dbraw/zinc/82/64/17/349826417.db2.gz XDWKOGSKURRXRI-UHFFFAOYSA-N 0 0 228.339 3.739 20 30 BHEDRN N#CCN[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000602966751 349826972 /nfs/dbraw/zinc/82/69/72/349826972.db2.gz QGJHENGELKVNQI-HNNXBMFYSA-N 0 0 246.329 3.560 20 30 BHEDRN N#CCN[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000602966752 349827264 /nfs/dbraw/zinc/82/72/64/349827264.db2.gz QGJHENGELKVNQI-OAHLLOKOSA-N 0 0 246.329 3.560 20 30 BHEDRN Cc1ccc(SCCCCC(C)(C)C#N)nn1 ZINC000603315768 349912713 /nfs/dbraw/zinc/91/27/13/349912713.db2.gz FZHBNVCZYPCLOV-UHFFFAOYSA-N 0 0 249.383 3.597 20 30 BHEDRN Cc1ccc(C[C@@H](C#N)SCC(C)C)cc1 ZINC000603452227 349965243 /nfs/dbraw/zinc/96/52/43/349965243.db2.gz JYLWUGDCASEYRT-AWEZNQCLSA-N 0 0 233.380 3.819 20 30 BHEDRN Cc1ccc(C[C@H](C#N)SCC(C)C)cc1 ZINC000603452228 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243.350 3.804 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H](C)c1ccccc1 ZINC000620857727 345869108 /nfs/dbraw/zinc/86/91/08/345869108.db2.gz HMWLGWSTGLEEOJ-CYBMUJFWSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H](C)c1ccccc1 ZINC000620857728 345869301 /nfs/dbraw/zinc/86/93/01/345869301.db2.gz HMWLGWSTGLEEOJ-ZDUSSCGKSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C[C@H]1CCC[C@H]1C ZINC000620857740 370010828 /nfs/dbraw/zinc/01/08/28/370010828.db2.gz IEKVQGASABSDGF-CHWSQXEVSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C[C@@H]1CCC[C@H]1C ZINC000620857741 370011209 /nfs/dbraw/zinc/01/12/09/370011209.db2.gz IEKVQGASABSDGF-OLZOCXBDSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C[C@H]1CCC[C@@H]1C ZINC000620857742 370010880 /nfs/dbraw/zinc/01/08/80/370010880.db2.gz IEKVQGASABSDGF-QWHCGFSZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C[C@@H]1CCC[C@@H]1C ZINC000620857743 370011225 /nfs/dbraw/zinc/01/12/25/370011225.db2.gz IEKVQGASABSDGF-STQMWFEESA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1cccn1C(C)C ZINC000620857816 370010792 /nfs/dbraw/zinc/01/07/92/370010792.db2.gz KIQIAUVBSKPTGA-UHFFFAOYSA-N 0 0 248.370 3.544 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H]1CCC(C)(C)C1 ZINC000620857850 370011245 /nfs/dbraw/zinc/01/12/45/370011245.db2.gz LPBNDUFYSHEJIT-GFCCVEGCSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H]1CCC(C)(C)C1 ZINC000620857851 370010886 /nfs/dbraw/zinc/01/08/86/370010886.db2.gz LPBNDUFYSHEJIT-LBPRGKRZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1ccccc1CC ZINC000620857852 370011004 /nfs/dbraw/zinc/01/10/04/370011004.db2.gz LQQOQFHXIUEIPE-UHFFFAOYSA-N 0 0 245.366 3.724 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1ccc(F)cc1C ZINC000620857853 370011152 /nfs/dbraw/zinc/01/11/52/370011152.db2.gz LQTPTZCJUQKHHA-UHFFFAOYSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H](C)CC(C)(C)C ZINC000620857858 370010765 /nfs/dbraw/zinc/01/07/65/370010765.db2.gz LYPQYGLKUVKHHV-GFCCVEGCSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H](C)CC(C)(C)C ZINC000620857859 370011088 /nfs/dbraw/zinc/01/10/88/370011088.db2.gz LYPQYGLKUVKHHV-LBPRGKRZSA-N 0 0 239.403 3.920 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H](C)CC(C)C ZINC000620857955 370011839 /nfs/dbraw/zinc/01/18/39/370011839.db2.gz QBHYCPVVXLYDSH-GFCCVEGCSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H](C)CC(C)C ZINC000620857956 370011818 /nfs/dbraw/zinc/01/18/18/370011818.db2.gz QBHYCPVVXLYDSH-LBPRGKRZSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1oc(CC)cc1C ZINC000620857958 370011791 /nfs/dbraw/zinc/01/17/91/370011791.db2.gz QCWQYEVZGCAZHF-UHFFFAOYSA-N 0 0 249.354 3.625 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H]1CCCC1(C)C ZINC000620858088 370011727 /nfs/dbraw/zinc/01/17/27/370011727.db2.gz VTISARHIOAFCMC-GFCCVEGCSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H]1CCCC1(C)C ZINC000620858089 370011822 /nfs/dbraw/zinc/01/18/22/370011822.db2.gz VTISARHIOAFCMC-LBPRGKRZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H](C)[C@H](C)CC ZINC000620858160 370011863 /nfs/dbraw/zinc/01/18/63/370011863.db2.gz YIXAJSPIUFQYAM-NEPJUHHUSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H](C)[C@@H](C)CC ZINC000620858161 370011845 /nfs/dbraw/zinc/01/18/45/370011845.db2.gz YIXAJSPIUFQYAM-NWDGAFQWSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H](C)[C@@H](C)CC ZINC000620858162 370011842 /nfs/dbraw/zinc/01/18/42/370011842.db2.gz YIXAJSPIUFQYAM-RYUDHWBXSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H](C)[C@H](C)CC ZINC000620858163 370011783 /nfs/dbraw/zinc/01/17/83/370011783.db2.gz YIXAJSPIUFQYAM-VXGBXAGGSA-N 0 0 225.376 3.530 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000620858351 398301593 /nfs/dbraw/zinc/30/15/93/398301593.db2.gz DYLXBJKGCCUTTA-CHWSQXEVSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H]1CCC[C@@H](C)C1 ZINC000620858352 398301560 /nfs/dbraw/zinc/30/15/60/398301560.db2.gz DYLXBJKGCCUTTA-OLZOCXBDSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H]1CCC[C@H](C)C1 ZINC000620858353 398301651 /nfs/dbraw/zinc/30/16/51/398301651.db2.gz DYLXBJKGCCUTTA-QWHCGFSZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H]1CCC[C@H](C)C1 ZINC000620858354 398301562 /nfs/dbraw/zinc/30/15/62/398301562.db2.gz DYLXBJKGCCUTTA-STQMWFEESA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C(CC=C)CC=C ZINC000620858413 398301528 /nfs/dbraw/zinc/30/15/28/398301528.db2.gz GMCNVORPKUCWTL-UHFFFAOYSA-N 0 0 235.371 3.616 20 30 BHEDRN C=CCCC(C)(C)NC(=O)CC1=CCCCC1 ZINC000620858565 398301632 /nfs/dbraw/zinc/30/16/32/398301632.db2.gz JTUINWNQPSTJFX-UHFFFAOYSA-N 0 0 235.371 3.738 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000620858625 398301675 /nfs/dbraw/zinc/30/16/75/398301675.db2.gz LSSOXLHBIBYBAU-CHWSQXEVSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C[C@H]1CC[C@@H](C)C1 ZINC000620858626 345869624 /nfs/dbraw/zinc/86/96/24/345869624.db2.gz LSSOXLHBIBYBAU-OLZOCXBDSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C[C@@H]1CC[C@H](C)C1 ZINC000620858627 345869930 /nfs/dbraw/zinc/86/99/30/345869930.db2.gz LSSOXLHBIBYBAU-QWHCGFSZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C[C@H]1CC[C@H](C)C1 ZINC000620858628 345869770 /nfs/dbraw/zinc/86/97/70/345869770.db2.gz LSSOXLHBIBYBAU-STQMWFEESA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)CC(CC)CC ZINC000620858672 370012536 /nfs/dbraw/zinc/01/25/36/370012536.db2.gz ODSQWHNUVIVMQZ-UHFFFAOYSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)CCC(C)(C)C ZINC000620858693 370012436 /nfs/dbraw/zinc/01/24/36/370012436.db2.gz OVLPWQNZRNDFJE-UHFFFAOYSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1cc(C)c(CC)o1 ZINC000620858897 370012667 /nfs/dbraw/zinc/01/26/67/370012667.db2.gz SGLRBFPYRMYCTL-UHFFFAOYSA-N 0 0 249.354 3.625 20 30 BHEDRN C=CCCC(C)(C)NC(=O)CC(C)(C)CC ZINC000620858997 345869867 /nfs/dbraw/zinc/86/98/67/345869867.db2.gz URYKSWMMKXYWJM-UHFFFAOYSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H](C)C1CCCC1 ZINC000620859021 370012817 /nfs/dbraw/zinc/01/28/17/370012817.db2.gz VCNKCBWAGZTVSS-GFCCVEGCSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H](C)C1CCCC1 ZINC000620859022 370012374 /nfs/dbraw/zinc/01/23/74/370012374.db2.gz VCNKCBWAGZTVSS-LBPRGKRZSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1ccc(C)cc1F ZINC000620859111 370012259 /nfs/dbraw/zinc/01/22/59/370012259.db2.gz WVCBQYVIQOMPSR-UHFFFAOYSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1cccc(C)c1F ZINC000620859171 370012756 /nfs/dbraw/zinc/01/27/56/370012756.db2.gz XEEYUYIFOOTWSG-UHFFFAOYSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1cscc1C ZINC000620859257 370012398 /nfs/dbraw/zinc/01/23/98/370012398.db2.gz ZGYBCESPYOCGOI-UHFFFAOYSA-N 0 0 237.368 3.531 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C[C@H](C)CCC ZINC000620861172 370012470 /nfs/dbraw/zinc/01/24/70/370012470.db2.gz FAKJSNMDXDLDBD-GFCCVEGCSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C[C@@H](C)CCC ZINC000620861173 370012708 /nfs/dbraw/zinc/01/27/08/370012708.db2.gz FAKJSNMDXDLDBD-LBPRGKRZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1cc(C)ccc1F ZINC000620861326 370013629 /nfs/dbraw/zinc/01/36/29/370013629.db2.gz LUVHFOSAXVHVMP-UHFFFAOYSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C1CCCCCC1 ZINC000620861493 370013411 /nfs/dbraw/zinc/01/34/11/370013411.db2.gz SEQAGAUIAIXRKF-UHFFFAOYSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1c(C)oc(C)c1C ZINC000620863297 370013753 /nfs/dbraw/zinc/01/37/53/370013753.db2.gz NVQGLNPWCAYEQG-UHFFFAOYSA-N 0 0 249.354 3.679 20 30 BHEDRN C=CCCC(C)(C)NC(=O)CCC1CCCC1 ZINC000620863863 370014438 /nfs/dbraw/zinc/01/44/38/370014438.db2.gz FVSXQNDGLRNDJC-UHFFFAOYSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1cccc(C)c1C ZINC000620863893 370014388 /nfs/dbraw/zinc/01/43/88/370014388.db2.gz HSUREXHYPYHMOY-UHFFFAOYSA-N 0 0 245.366 3.778 20 30 BHEDRN C=CCCC(C)(C)NC(=O)CC1CCCCC1 ZINC000620863932 370014591 /nfs/dbraw/zinc/01/45/91/370014591.db2.gz IZEMBXVBYFKKHL-UHFFFAOYSA-N 0 0 237.387 3.818 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1ccc(C)cc1C ZINC000620864024 345870919 /nfs/dbraw/zinc/87/09/19/345870919.db2.gz MWFWPMCZIPKTHR-UHFFFAOYSA-N 0 0 245.366 3.778 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1cc(C)ccc1C ZINC000620864213 370014530 /nfs/dbraw/zinc/01/45/30/370014530.db2.gz WFNALJNTCBIFKK-UHFFFAOYSA-N 0 0 245.366 3.778 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1cccc(F)c1C ZINC000620864555 370015190 /nfs/dbraw/zinc/01/51/90/370015190.db2.gz HQAUHAGAGHFFBG-UHFFFAOYSA-N 0 0 249.329 3.609 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1sccc1C ZINC000620864579 370015322 /nfs/dbraw/zinc/01/53/22/370015322.db2.gz IHPMXDMKNFOPSX-UHFFFAOYSA-N 0 0 237.368 3.531 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C1=CC[C@@H](C)CC1 ZINC000620864607 345872232 /nfs/dbraw/zinc/87/22/32/345872232.db2.gz JBLFJCJPCAIRFY-GFCCVEGCSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C1=CC[C@H](C)CC1 ZINC000620864608 345872251 /nfs/dbraw/zinc/87/22/51/345872251.db2.gz JBLFJCJPCAIRFY-LBPRGKRZSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H](CC)CC(F)F ZINC000620864632 370015185 /nfs/dbraw/zinc/01/51/85/370015185.db2.gz JVTFYRALKHGVNK-JTQLQIEISA-N 0 0 247.329 3.529 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H](CC)CC(F)F ZINC000620864633 370015139 /nfs/dbraw/zinc/01/51/39/370015139.db2.gz JVTFYRALKHGVNK-SNVBAGLBSA-N 0 0 247.329 3.529 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1ccc(C)s1 ZINC000620864714 370015411 /nfs/dbraw/zinc/01/54/11/370015411.db2.gz LPQXILPFENWSCF-UHFFFAOYSA-N 0 0 237.368 3.531 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C1CCC2(CC2)CC1 ZINC000620864733 370015181 /nfs/dbraw/zinc/01/51/81/370015181.db2.gz NBWGPFCWJVVOMU-UHFFFAOYSA-N 0 0 249.398 3.818 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H]1CCCC2(CC2)C1 ZINC000620864818 345872851 /nfs/dbraw/zinc/87/28/51/345872851.db2.gz PKJKICCVDNZHQU-CYBMUJFWSA-N 0 0 249.398 3.818 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H]1CCCC2(CC2)C1 ZINC000620864819 345873038 /nfs/dbraw/zinc/87/30/38/345873038.db2.gz PKJKICCVDNZHQU-ZDUSSCGKSA-N 0 0 249.398 3.818 20 30 BHEDRN 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/nfs/dbraw/zinc/43/37/67/541433767.db2.gz HQPBOFJHWSYOQJ-UHFFFAOYSA-N 0 0 202.297 3.737 20 30 BHEDRN C=C1CCN(C(=O)C2CC3(C2)CCCCC3)CC1 ZINC000668303570 487637014 /nfs/dbraw/zinc/63/70/14/487637014.db2.gz MANXPSNQWZEKRZ-UHFFFAOYSA-N 0 0 247.382 3.526 20 30 BHEDRN C=C1CCN(C(=O)c2cccc(C(C)C)c2)CC1 ZINC000668303853 487638342 /nfs/dbraw/zinc/63/83/42/487638342.db2.gz WCAQNNSNCCHBJC-UHFFFAOYSA-N 0 0 243.350 3.602 20 30 BHEDRN C=CC1CCN(C(=O)[C@@]2(C)CC=C(C)CC2)CC1 ZINC000668569043 487950347 /nfs/dbraw/zinc/95/03/47/487950347.db2.gz QAHGXAWFPNHZHL-INIZCTEOSA-N 0 0 247.382 3.548 20 30 BHEDRN C=CC1CCN(C(=O)[C@]2(C)CC=C(C)CC2)CC1 ZINC000668569044 487950128 /nfs/dbraw/zinc/95/01/28/487950128.db2.gz QAHGXAWFPNHZHL-MRXNPFEDSA-N 0 0 247.382 3.548 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccc2c(c1)CCOC2 ZINC000668608097 488001100 /nfs/dbraw/zinc/00/11/00/488001100.db2.gz BVJYOVANRNAESY-GFCCVEGCSA-N 0 0 231.339 3.526 20 30 BHEDRN C=CCC[C@H](C)Nc1ccc2c(c1)CCOC2 ZINC000668608099 488001075 /nfs/dbraw/zinc/00/10/75/488001075.db2.gz BVJYOVANRNAESY-LBPRGKRZSA-N 0 0 231.339 3.526 20 30 BHEDRN C=CC[C@@H](C)[C@@H](C)Nc1ccc2c(c1)CCOC2 ZINC000668608243 488001375 /nfs/dbraw/zinc/00/13/75/488001375.db2.gz DDACQGCQLVOYDQ-CHWSQXEVSA-N 0 0 245.366 3.772 20 30 BHEDRN C=CC[C@@H](C)[C@H](C)Nc1ccc2c(c1)CCOC2 ZINC000668608244 488001336 /nfs/dbraw/zinc/00/13/36/488001336.db2.gz DDACQGCQLVOYDQ-OLZOCXBDSA-N 0 0 245.366 3.772 20 30 BHEDRN C=CC[C@H](C)[C@@H](C)Nc1ccc2c(c1)CCOC2 ZINC000668608245 488001242 /nfs/dbraw/zinc/00/12/42/488001242.db2.gz DDACQGCQLVOYDQ-QWHCGFSZSA-N 0 0 245.366 3.772 20 30 BHEDRN C=CC[C@H](C)[C@H](C)Nc1ccc2c(c1)CCOC2 ZINC000668608246 488000977 /nfs/dbraw/zinc/00/09/77/488000977.db2.gz DDACQGCQLVOYDQ-STQMWFEESA-N 0 0 245.366 3.772 20 30 BHEDRN C=CCC[C@H](CC)Nc1ccc2c(c1)CCOC2 ZINC000668609396 488003047 /nfs/dbraw/zinc/00/30/47/488003047.db2.gz WNXXKLQYIJKQAE-HNNXBMFYSA-N 0 0 245.366 3.916 20 30 BHEDRN C=CCC[C@@H](CC)Nc1ccc2c(c1)CCOC2 ZINC000668609397 488003133 /nfs/dbraw/zinc/00/31/33/488003133.db2.gz WNXXKLQYIJKQAE-OAHLLOKOSA-N 0 0 245.366 3.916 20 30 BHEDRN C=CC[C@@H](C)NC(=O)c1cccc(C(C)C)c1 ZINC000668855055 487669086 /nfs/dbraw/zinc/66/90/86/487669086.db2.gz TUOSXSTZFNIRIR-GFCCVEGCSA-N 0 0 231.339 3.504 20 30 BHEDRN C=CC[C@H](C)NC(=O)c1cccc(C(C)C)c1 ZINC000668855056 487668817 /nfs/dbraw/zinc/66/88/17/487668817.db2.gz TUOSXSTZFNIRIR-LBPRGKRZSA-N 0 0 231.339 3.504 20 30 BHEDRN C=CC[C@@H](C)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000668855223 487667802 /nfs/dbraw/zinc/66/78/02/487667802.db2.gz XFPNEQPQDVJXTN-BPLDGKMQSA-N 0 0 249.398 3.674 20 30 BHEDRN C=CC[C@H](C)NC(=O)[C@H]1CC[C@H](C2CCC2)CC1 ZINC000668855224 487667834 /nfs/dbraw/zinc/66/78/34/487667834.db2.gz XFPNEQPQDVJXTN-QEJZJMRPSA-N 0 0 249.398 3.674 20 30 BHEDRN C=CCCCN(C)C(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000668940946 487789748 /nfs/dbraw/zinc/78/97/48/487789748.db2.gz GVVYQULCLFDMBW-FICVDOATSA-N 0 0 249.398 3.627 20 30 BHEDRN C=CCCCN(C)C(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000668940947 487789587 /nfs/dbraw/zinc/78/95/87/487789587.db2.gz GVVYQULCLFDMBW-KBPBESRZSA-N 0 0 249.398 3.627 20 30 BHEDRN C=CCCCN(C)C(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000668940948 487789269 /nfs/dbraw/zinc/78/92/69/487789269.db2.gz GVVYQULCLFDMBW-ZIAGYGMSSA-N 0 0 249.398 3.627 20 30 BHEDRN C=CCCCN(C)C(=O)C1CC2(C1)CCCCC2 ZINC000668941465 487789329 /nfs/dbraw/zinc/78/93/29/487789329.db2.gz QFUYHONFXJGPHO-UHFFFAOYSA-N 0 0 249.398 3.772 20 30 BHEDRN C=CCCCN(C)C(=O)c1ccc(C2CC2)cc1 ZINC000668941488 487789116 /nfs/dbraw/zinc/78/91/16/487789116.db2.gz QYVUVNYRVXGXLK-UHFFFAOYSA-N 0 0 243.350 3.602 20 30 BHEDRN C=CCCCN(C)C(=O)c1cccc(C(C)C)c1 ZINC000668941698 487789741 /nfs/dbraw/zinc/78/97/41/487789741.db2.gz TZXLDIPQKYZCCD-UHFFFAOYSA-N 0 0 245.366 3.848 20 30 BHEDRN C=CCCCN(C)C(=O)C1CCC(C2CC2)CC1 ZINC000668941907 487790169 /nfs/dbraw/zinc/79/01/69/487790169.db2.gz VIZKGFGXMUMQIN-UHFFFAOYSA-N 0 0 249.398 3.627 20 30 BHEDRN C=CCCCN(C)C(=O)[C@@]1(C)CC=C(C)CC1 ZINC000668941972 487790232 /nfs/dbraw/zinc/79/02/32/487790232.db2.gz YIOSXFKHHLAIPR-HNNXBMFYSA-N 0 0 235.371 3.548 20 30 BHEDRN C=CCCCN(C)C(=O)[C@]1(C)CC=C(C)CC1 ZINC000668941973 487790093 /nfs/dbraw/zinc/79/00/93/487790093.db2.gz YIOSXFKHHLAIPR-OAHLLOKOSA-N 0 0 235.371 3.548 20 30 BHEDRN C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000669048817 487910579 /nfs/dbraw/zinc/91/05/79/487910579.db2.gz CQQIZNFGCGTTMA-KFWWJZLASA-N 0 0 249.398 3.627 20 30 BHEDRN C=CCCCCCN(C)C(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000669048819 487910227 /nfs/dbraw/zinc/91/02/27/487910227.db2.gz CQQIZNFGCGTTMA-RRFJBIMHSA-N 0 0 249.398 3.627 20 30 BHEDRN C=CCCCCCN(C)C(=O)[C@H]1CCC1(C)C ZINC000669048921 487910490 /nfs/dbraw/zinc/91/04/90/487910490.db2.gz GSXAKEPSIQFLIZ-CYBMUJFWSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CCCCCCN(C)C(=O)[C@@H]1CCC1(C)C ZINC000669048922 487910402 /nfs/dbraw/zinc/91/04/02/487910402.db2.gz GSXAKEPSIQFLIZ-ZDUSSCGKSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@@H](C)c1ccsc1 ZINC000669861461 487894424 /nfs/dbraw/zinc/89/44/24/487894424.db2.gz IBHCYUFUXDEUTL-GWCFXTLKSA-N 0 0 237.368 3.528 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@@H](C)c1ccsc1 ZINC000669861462 487894292 /nfs/dbraw/zinc/89/42/92/487894292.db2.gz IBHCYUFUXDEUTL-GXFFZTMASA-N 0 0 237.368 3.528 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N[C@H](C)c1ccsc1 ZINC000669861463 487894391 /nfs/dbraw/zinc/89/43/91/487894391.db2.gz IBHCYUFUXDEUTL-MFKMUULPSA-N 0 0 237.368 3.528 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N[C@H](C)c1ccsc1 ZINC000669861464 487894329 /nfs/dbraw/zinc/89/43/29/487894329.db2.gz IBHCYUFUXDEUTL-ZWNOBZJWSA-N 0 0 237.368 3.528 20 30 BHEDRN C=CCC1(C(=O)N[C@H](C)c2ccsc2)CCC1 ZINC000669861629 487894624 /nfs/dbraw/zinc/89/46/24/487894624.db2.gz LNTKSOPWZZFNAW-LLVKDONJSA-N 0 0 249.379 3.672 20 30 BHEDRN C=CCC1(C(=O)N[C@@H](C)c2ccsc2)CCC1 ZINC000669861630 487894318 /nfs/dbraw/zinc/89/43/18/487894318.db2.gz LNTKSOPWZZFNAW-NSHDSACASA-N 0 0 249.379 3.672 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@H](C)c1ccsc1 ZINC000669862095 487894696 /nfs/dbraw/zinc/89/46/96/487894696.db2.gz YBVNOMNCPRYKSA-GHMZBOCLSA-N 0 0 237.368 3.528 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N[C@@H](C)c1ccsc1 ZINC000669862096 487894629 /nfs/dbraw/zinc/89/46/29/487894629.db2.gz YBVNOMNCPRYKSA-MNOVXSKESA-N 0 0 237.368 3.528 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@@H](C)c1ccsc1 ZINC000669862097 487894138 /nfs/dbraw/zinc/89/41/38/487894138.db2.gz YBVNOMNCPRYKSA-QWRGUYRKSA-N 0 0 237.368 3.528 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N[C@H](C)c1ccsc1 ZINC000669862098 487894526 /nfs/dbraw/zinc/89/45/26/487894526.db2.gz YBVNOMNCPRYKSA-WDEREUQCSA-N 0 0 237.368 3.528 20 30 BHEDRN C=CCC(CC=C)C(=O)N[C@H](C)c1ccsc1 ZINC000669862208 487894166 /nfs/dbraw/zinc/89/41/66/487894166.db2.gz BANZMYRFNRVSKI-LLVKDONJSA-N 0 0 249.379 3.694 20 30 BHEDRN C=CCC(CC=C)C(=O)N[C@@H](C)c1ccsc1 ZINC000669862209 487894510 /nfs/dbraw/zinc/89/45/10/487894510.db2.gz BANZMYRFNRVSKI-NSHDSACASA-N 0 0 249.379 3.694 20 30 BHEDRN C=CCN(C[C@H](C)C(C)(C)C)CC(F)(F)F ZINC000670262830 487860843 /nfs/dbraw/zinc/86/08/43/487860843.db2.gz SWEJNGYBMCZIEP-JTQLQIEISA-N 0 0 237.309 3.719 20 30 BHEDRN C=CCN(C[C@@H](C)C(C)(C)C)CC(F)(F)F ZINC000670262831 487860879 /nfs/dbraw/zinc/86/08/79/487860879.db2.gz SWEJNGYBMCZIEP-SNVBAGLBSA-N 0 0 237.309 3.719 20 30 BHEDRN CCC#C[C@@H](C)Sc1ncnc2sccc21 ZINC000671151213 487974131 /nfs/dbraw/zinc/97/41/31/487974131.db2.gz QNIQKEQBHBKQEZ-SECBINFHSA-N 0 0 248.376 3.585 20 30 BHEDRN CCC#C[C@H](C)Sc1ncnc2sccc21 ZINC000671151214 487974140 /nfs/dbraw/zinc/97/41/40/487974140.db2.gz QNIQKEQBHBKQEZ-VIFPVBQESA-N 0 0 248.376 3.585 20 30 BHEDRN CCC#C[C@@H](C)Sc1ncnc2ccsc21 ZINC000671163021 487985761 /nfs/dbraw/zinc/98/57/61/487985761.db2.gz ABLPAJBGTOGOLJ-SECBINFHSA-N 0 0 248.376 3.585 20 30 BHEDRN CCC#C[C@H](C)Sc1ncnc2ccsc21 ZINC000671163022 487986252 /nfs/dbraw/zinc/98/62/52/487986252.db2.gz ABLPAJBGTOGOLJ-VIFPVBQESA-N 0 0 248.376 3.585 20 30 BHEDRN C=C(C)[C@@H](CO)Sc1cc(Cl)ccc1F ZINC000671656230 487674632 /nfs/dbraw/zinc/67/46/32/487674632.db2.gz CTCVMTBJBLCPAW-LLVKDONJSA-N 0 0 246.734 3.508 20 30 BHEDRN C=C(C)[C@H](CO)Sc1cc(Cl)ccc1F ZINC000671656231 487675010 /nfs/dbraw/zinc/67/50/10/487675010.db2.gz CTCVMTBJBLCPAW-NSHDSACASA-N 0 0 246.734 3.508 20 30 BHEDRN C=C(C)CCc1noc(-c2cc(C)sc2C)n1 ZINC000671670916 487679862 /nfs/dbraw/zinc/67/98/62/487679862.db2.gz KIMJLAOYABGBQC-UHFFFAOYSA-N 0 0 248.351 3.924 20 30 BHEDRN C=C(C)CCc1noc([C@H](C)C2CCCC2)n1 ZINC000671670986 487680231 /nfs/dbraw/zinc/68/02/31/487680231.db2.gz XITKGMHFDWLLFZ-LLVKDONJSA-N 0 0 234.343 3.872 20 30 BHEDRN C=C(C)CCc1noc([C@@H](C)C2CCCC2)n1 ZINC000671670987 487680167 /nfs/dbraw/zinc/68/01/67/487680167.db2.gz XITKGMHFDWLLFZ-NSHDSACASA-N 0 0 234.343 3.872 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)c1csc(C)c1 ZINC000671790233 487580174 /nfs/dbraw/zinc/58/01/74/487580174.db2.gz YESQPXHWNBAACY-JTQLQIEISA-N 0 0 237.368 3.531 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)c1csc(C)c1 ZINC000671790234 487580033 /nfs/dbraw/zinc/58/00/33/487580033.db2.gz YESQPXHWNBAACY-SNVBAGLBSA-N 0 0 237.368 3.531 20 30 BHEDRN C=C(C)CN(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000671790756 488229960 /nfs/dbraw/zinc/22/99/60/488229960.db2.gz BIBOUALRZVLCCV-QLFBSQMISA-N 0 0 249.398 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000671790757 488230163 /nfs/dbraw/zinc/23/01/63/488230163.db2.gz BIBOUALRZVLCCV-RBSFLKMASA-N 0 0 249.398 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]12 ZINC000671790758 488229865 /nfs/dbraw/zinc/22/98/65/488229865.db2.gz BIBOUALRZVLCCV-RRFJBIMHSA-N 0 0 249.398 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]12 ZINC000671790759 488229968 /nfs/dbraw/zinc/22/99/68/488229968.db2.gz BIBOUALRZVLCCV-SOUVJXGZSA-N 0 0 249.398 3.627 20 30 BHEDRN C=CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21 ZINC000671812505 488154566 /nfs/dbraw/zinc/15/45/66/488154566.db2.gz CZEYNNDTKVCHSR-QLFBSQMISA-N 0 0 249.398 3.627 20 30 BHEDRN C=CCCN(C)C(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21 ZINC000671812506 488154307 /nfs/dbraw/zinc/15/43/07/488154307.db2.gz 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QVMAHUTWPLXMGB-SNVBAGLBSA-N 0 0 249.354 3.679 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)CC(C)(C)CC ZINC000678881762 488293046 /nfs/dbraw/zinc/29/30/46/488293046.db2.gz REBGPLWWYSNDHB-GFCCVEGCSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)CC(C)(C)CC ZINC000678881763 488293257 /nfs/dbraw/zinc/29/32/57/488293257.db2.gz REBGPLWWYSNDHB-LBPRGKRZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C(C)CN(C)C(=O)c1ccc(CCCC)cc1 ZINC000679204407 488316735 /nfs/dbraw/zinc/31/67/35/488316735.db2.gz CTPMPFVYFBZAES-UHFFFAOYSA-N 0 0 245.366 3.677 20 30 BHEDRN C=C(C)CN(C)C(=O)c1ccc(CC(C)C)cc1 ZINC000679204674 488316951 /nfs/dbraw/zinc/31/69/51/488316951.db2.gz PRMMBXPMWJMUQJ-UHFFFAOYSA-N 0 0 245.366 3.533 20 30 BHEDRN C=C(C)CN(C)C(=O)Nc1ccc(C2CC2)cc1 ZINC000679235243 488322763 /nfs/dbraw/zinc/32/27/63/488322763.db2.gz YUFHPVRNFRRNFI-UHFFFAOYSA-N 0 0 244.338 3.604 20 30 BHEDRN C=CCN(CC=C)C(=O)CCCC[C@@H](C)CC ZINC000680021576 487520033 /nfs/dbraw/zinc/52/00/33/487520033.db2.gz REJRXAVHPDKAGV-AWEZNQCLSA-N 0 0 237.387 3.794 20 30 BHEDRN C=CCN(CC=C)C(=O)CCCC[C@H](C)CC ZINC000680021577 487520108 /nfs/dbraw/zinc/52/01/08/487520108.db2.gz REJRXAVHPDKAGV-CQSZACIVSA-N 0 0 237.387 3.794 20 30 BHEDRN C=C(C)CN(C)C(=O)CCCC[C@H](C)CC ZINC000680042495 487525008 /nfs/dbraw/zinc/52/50/08/487525008.db2.gz UIZDJVPIAUCGPV-CYBMUJFWSA-N 0 0 225.376 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)CCCC[C@@H](C)CC ZINC000680042496 487525413 /nfs/dbraw/zinc/52/54/13/487525413.db2.gz UIZDJVPIAUCGPV-ZDUSSCGKSA-N 0 0 225.376 3.627 20 30 BHEDRN C=C1CCN(C(=O)CCCC[C@H](C)CC)CC1 ZINC000680194619 487544788 /nfs/dbraw/zinc/54/47/88/487544788.db2.gz DVWYZCPSADNMIG-CYBMUJFWSA-N 0 0 237.387 3.772 20 30 BHEDRN C=C1CCN(C(=O)CCCC[C@@H](C)CC)CC1 ZINC000680194620 487544858 /nfs/dbraw/zinc/54/48/58/487544858.db2.gz DVWYZCPSADNMIG-ZDUSSCGKSA-N 0 0 237.387 3.772 20 30 BHEDRN C=CC[C@@H](C)NC(=O)CCCC[C@H](C)CC ZINC000680202211 487546293 /nfs/dbraw/zinc/54/62/93/487546293.db2.gz VISGVACXWBKNOJ-CHWSQXEVSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CC[C@H](C)NC(=O)CCCC[C@H](C)CC ZINC000680202358 487546640 /nfs/dbraw/zinc/54/66/40/487546640.db2.gz VISGVACXWBKNOJ-OLZOCXBDSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CC[C@@H](C)NC(=O)CCCC[C@@H](C)CC ZINC000680202359 487546163 /nfs/dbraw/zinc/54/61/63/487546163.db2.gz VISGVACXWBKNOJ-QWHCGFSZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=CC[C@H](C)NC(=O)CCCC[C@@H](C)CC ZINC000680202360 487546245 /nfs/dbraw/zinc/54/62/45/487546245.db2.gz VISGVACXWBKNOJ-STQMWFEESA-N 0 0 225.376 3.674 20 30 BHEDRN C=CCN(C(=O)CCCC[C@H](C)CC)C1CC1 ZINC000680220075 487549335 /nfs/dbraw/zinc/54/93/35/487549335.db2.gz CGKBXCVFSMNYQH-CYBMUJFWSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCN(C(=O)CCCC[C@@H](C)CC)C1CC1 ZINC000680220076 487549419 /nfs/dbraw/zinc/54/94/19/487549419.db2.gz CGKBXCVFSMNYQH-ZDUSSCGKSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCN(Cc1cscc1Cl)C1CC1 ZINC000680481643 487604000 /nfs/dbraw/zinc/60/40/00/487604000.db2.gz NMUKKPDHRDTZSV-UHFFFAOYSA-N 0 0 227.760 3.552 20 30 BHEDRN C=CCc1ccccc1OCC[C@@H]1CCCCO1 ZINC000680523261 487610642 /nfs/dbraw/zinc/61/06/42/487610642.db2.gz MAUJJQVCRXYNTB-HNNXBMFYSA-N 0 0 246.350 3.753 20 30 BHEDRN C=CCc1ccccc1OCC[C@H]1CCCCO1 ZINC000680523262 487610685 /nfs/dbraw/zinc/61/06/85/487610685.db2.gz MAUJJQVCRXYNTB-OAHLLOKOSA-N 0 0 246.350 3.753 20 30 BHEDRN C=CCC(CC=C)c1nc(C2CCC2)no1 ZINC000680696187 487638176 /nfs/dbraw/zinc/63/81/76/487638176.db2.gz XVIWUHIEQCBZTF-UHFFFAOYSA-N 0 0 218.300 3.573 20 30 BHEDRN CC#CCCSc1nc(-c2ccccc2)c[nH]1 ZINC000680882195 487663970 /nfs/dbraw/zinc/66/39/70/487663970.db2.gz CPBYTAQHTBZCQF-UHFFFAOYSA-N 0 0 242.347 3.582 20 30 BHEDRN C=CCCC[C@@H](C)Sc1nnc2ccccn21 ZINC000680882672 487663418 /nfs/dbraw/zinc/66/34/18/487663418.db2.gz LXRKIDRAASJCDC-LLVKDONJSA-N 0 0 247.367 3.566 20 30 BHEDRN C=CCCC[C@H](C)Sc1nnc2ccccn21 ZINC000680882675 487663448 /nfs/dbraw/zinc/66/34/48/487663448.db2.gz LXRKIDRAASJCDC-NSHDSACASA-N 0 0 247.367 3.566 20 30 BHEDRN CCC#C[C@@H](C)Sc1nncc2ccccc21 ZINC000680939887 487675977 /nfs/dbraw/zinc/67/59/77/487675977.db2.gz HYYYWUCGLVTFNN-LLVKDONJSA-N 0 0 242.347 3.524 20 30 BHEDRN CCC#C[C@H](C)Sc1nncc2ccccc21 ZINC000680939888 487675692 /nfs/dbraw/zinc/67/56/92/487675692.db2.gz HYYYWUCGLVTFNN-NSHDSACASA-N 0 0 242.347 3.524 20 30 BHEDRN C=CCCC[C@@H](C)Nc1nc(C)cc(CC)n1 ZINC000680962665 487682724 /nfs/dbraw/zinc/68/27/24/487682724.db2.gz WXJHUXBFPSADOX-LLVKDONJSA-N 0 0 233.359 3.504 20 30 BHEDRN C=CCCC[C@H](C)Nc1nc(C)cc(CC)n1 ZINC000680962666 487683091 /nfs/dbraw/zinc/68/30/91/487683091.db2.gz WXJHUXBFPSADOX-NSHDSACASA-N 0 0 233.359 3.504 20 30 BHEDRN CC#CCCCC(=O)N(C1CC1)C1CCCCC1 ZINC000680996573 487689500 /nfs/dbraw/zinc/68/95/00/487689500.db2.gz DLENECPMQVGJPE-UHFFFAOYSA-N 0 0 247.382 3.504 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(C1CC1)C1CCCCC1 ZINC000680996943 487690053 /nfs/dbraw/zinc/69/00/53/487690053.db2.gz XWCJYWHUQSKSFU-CYBMUJFWSA-N 0 0 249.398 3.912 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(C1CC1)C1CCCCC1 ZINC000680996945 487690040 /nfs/dbraw/zinc/69/00/40/487690040.db2.gz XWCJYWHUQSKSFU-ZDUSSCGKSA-N 0 0 249.398 3.912 20 30 BHEDRN CC#CCCCC(=O)N[C@@H](CC)C1CCCCC1 ZINC000680997392 487690270 /nfs/dbraw/zinc/69/02/70/487690270.db2.gz SMRZEWOICSQPAJ-HNNXBMFYSA-N 0 0 249.398 3.655 20 30 BHEDRN CC#CCCCC(=O)N[C@H](CC)C1CCCCC1 ZINC000680997393 487690172 /nfs/dbraw/zinc/69/01/72/487690172.db2.gz SMRZEWOICSQPAJ-OAHLLOKOSA-N 0 0 249.398 3.655 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N1C2CCCC1CCC2 ZINC000680998940 487690896 /nfs/dbraw/zinc/69/08/96/487690896.db2.gz BSZYWDFLWQZWEF-HSBZDZAISA-N 0 0 235.371 3.522 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N1C2CCCC1CCC2 ZINC000680998942 487691016 /nfs/dbraw/zinc/69/10/16/487691016.db2.gz BSZYWDFLWQZWEF-IYXRBSQSSA-N 0 0 235.371 3.522 20 30 BHEDRN CC#CCCCC(=O)Nc1ccc(C2CC2)cc1 ZINC000681001676 487692931 /nfs/dbraw/zinc/69/29/31/487692931.db2.gz SEZUGWCXFXUPSX-UHFFFAOYSA-N 0 0 241.334 3.696 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Nc1cc(O)c(C)cc1C ZINC000681069397 487710880 /nfs/dbraw/zinc/71/08/80/487710880.db2.gz BMTVBYIOWSCQBY-GFCCVEGCSA-N 0 0 247.338 3.550 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Nc1cc(O)c(C)cc1C ZINC000681069398 487711972 /nfs/dbraw/zinc/71/19/72/487711972.db2.gz BMTVBYIOWSCQBY-LBPRGKRZSA-N 0 0 247.338 3.550 20 30 BHEDRN C=CCCCCNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C ZINC000681144931 491065814 /nfs/dbraw/zinc/06/58/14/491065814.db2.gz FNRUKIOSYWLJPM-KBPBESRZSA-N 0 0 249.398 3.697 20 30 BHEDRN C=CCCCCNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C ZINC000681144934 491065802 /nfs/dbraw/zinc/06/58/02/491065802.db2.gz FNRUKIOSYWLJPM-KGLIPLIRSA-N 0 0 249.398 3.697 20 30 BHEDRN C=CCCCCNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C ZINC000681144936 491065821 /nfs/dbraw/zinc/06/58/21/491065821.db2.gz FNRUKIOSYWLJPM-UONOGXRCSA-N 0 0 249.398 3.697 20 30 BHEDRN C=CCCCCNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C ZINC000681144939 491065812 /nfs/dbraw/zinc/06/58/12/491065812.db2.gz FNRUKIOSYWLJPM-ZIAGYGMSSA-N 0 0 249.398 3.697 20 30 BHEDRN C=CCCCCNC(=O)C[C@@H](C)CC(C)(C)C ZINC000681145175 487737862 /nfs/dbraw/zinc/73/78/62/487737862.db2.gz JQDYUHJHVGIZMA-CYBMUJFWSA-N 0 0 239.403 3.921 20 30 BHEDRN C=CCCCCNC(=O)C[C@H](C)CC(C)(C)C ZINC000681145176 487738217 /nfs/dbraw/zinc/73/82/17/487738217.db2.gz JQDYUHJHVGIZMA-ZDUSSCGKSA-N 0 0 239.403 3.921 20 30 BHEDRN C=CCCCCNC(=O)C(CC)(CC)CC ZINC000681145578 487738014 /nfs/dbraw/zinc/73/80/14/487738014.db2.gz FAGWBDBNFFXHFY-UHFFFAOYSA-N 0 0 225.376 3.675 20 30 BHEDRN C=CCCCCNC(=O)c1cc2occc2s1 ZINC000681146469 487738284 /nfs/dbraw/zinc/73/82/84/487738284.db2.gz YOSBAISZEGFEER-UHFFFAOYSA-N 0 0 249.335 3.580 20 30 BHEDRN C=CCCCCNc1ccnc(C(C)(C)C)n1 ZINC000681152653 487737644 /nfs/dbraw/zinc/73/76/44/487737644.db2.gz PMVDANIEJWCWHK-UHFFFAOYSA-N 0 0 233.359 3.542 20 30 BHEDRN C=C(C)CCSc1ccc(COC)cc1 ZINC000681371637 487787622 /nfs/dbraw/zinc/78/76/22/487787622.db2.gz SORYELXLCAEVCV-UHFFFAOYSA-N 0 0 222.353 3.891 20 30 BHEDRN C=C(C)CCN1Cc2ccccc2C(F)(F)C1 ZINC000681406339 487793843 /nfs/dbraw/zinc/79/38/43/487793843.db2.gz GMXLPGJEBVAUAG-UHFFFAOYSA-N 0 0 237.293 3.560 20 30 BHEDRN C=CC[C@@H](C(=O)N[C@@H](C)CCC)c1ccccc1 ZINC000681641328 487829822 /nfs/dbraw/zinc/82/98/22/487829822.db2.gz FATVIAAPLVVRLK-DZGCQCFKSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@H](C(=O)N[C@H](C)CCC)c1ccccc1 ZINC000681641329 487829931 /nfs/dbraw/zinc/82/99/31/487829931.db2.gz FATVIAAPLVVRLK-HIFRSBDPSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@@H](C(=O)N[C@H](C)CCC)c1ccccc1 ZINC000681641330 487829797 /nfs/dbraw/zinc/82/97/97/487829797.db2.gz FATVIAAPLVVRLK-UKRRQHHQSA-N 0 0 245.366 3.651 20 30 BHEDRN C=CC[C@H](C(=O)N[C@@H](C)CCC)c1ccccc1 ZINC000681641331 487829820 /nfs/dbraw/zinc/82/98/20/487829820.db2.gz FATVIAAPLVVRLK-ZFWWWQNUSA-N 0 0 245.366 3.651 20 30 BHEDRN C=C(C)CSc1ccnc2c(OC)cccc12 ZINC000681958335 487872134 /nfs/dbraw/zinc/87/21/34/487872134.db2.gz HUGCODCLNHGMJJ-UHFFFAOYSA-N 0 0 245.347 3.912 20 30 BHEDRN C=CCCSc1ccnc2c(OC)cccc12 ZINC000681958838 487872114 /nfs/dbraw/zinc/87/21/14/487872114.db2.gz LRIJOXJICNOABU-UHFFFAOYSA-N 0 0 245.347 3.912 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Nc1cc(O)c(C)cc1C ZINC000682363675 487939036 /nfs/dbraw/zinc/93/90/36/487939036.db2.gz RFOVUWPXNNXLEO-HNNXBMFYSA-N 0 0 247.338 3.550 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Nc1cc(O)c(C)cc1C ZINC000682363676 487939069 /nfs/dbraw/zinc/93/90/69/487939069.db2.gz RFOVUWPXNNXLEO-OAHLLOKOSA-N 0 0 247.338 3.550 20 30 BHEDRN C=C[C@@](C)(CC)c1nc(C2CCCCC2)no1 ZINC000682374970 487944071 /nfs/dbraw/zinc/94/40/71/487944071.db2.gz KABZSFJULUVFOJ-AWEZNQCLSA-N 0 0 234.343 3.971 20 30 BHEDRN C=C[C@](C)(CC)c1nc(C2CCCCC2)no1 ZINC000682374971 487943997 /nfs/dbraw/zinc/94/39/97/487943997.db2.gz KABZSFJULUVFOJ-CQSZACIVSA-N 0 0 234.343 3.971 20 30 BHEDRN C=CCCN(C)c1nc2ccccc2cc1C ZINC000682414634 487952374 /nfs/dbraw/zinc/95/23/74/487952374.db2.gz DQCYBLBDDZZKMF-UHFFFAOYSA-N 0 0 226.323 3.556 20 30 BHEDRN C=CCCN(C)C(=O)Nc1ccc(C2CC2)cc1 ZINC000682417932 487953656 /nfs/dbraw/zinc/95/36/56/487953656.db2.gz JIMGHCXFIBIPDI-UHFFFAOYSA-N 0 0 244.338 3.604 20 30 BHEDRN C=CCCN(C)C(=O)CCCC[C@H](C)CC ZINC000682426967 487960292 /nfs/dbraw/zinc/96/02/92/487960292.db2.gz ATDIQJDEVJFABR-CYBMUJFWSA-N 0 0 225.376 3.627 20 30 BHEDRN C=CCCN(C)C(=O)CCCC[C@@H](C)CC ZINC000682426968 487960244 /nfs/dbraw/zinc/96/02/44/487960244.db2.gz ATDIQJDEVJFABR-ZDUSSCGKSA-N 0 0 225.376 3.627 20 30 BHEDRN C=CCCN(C)C(=O)c1ccc(CCCC)cc1 ZINC000682427232 640954356 /nfs/dbraw/zinc/95/43/56/640954356.db2.gz HYYGXGDKORFXIG-UHFFFAOYSA-N 0 0 245.366 3.677 20 30 BHEDRN C=CCCN(C)C(=O)c1ccc(CC(C)C)cc1 ZINC000682427554 487960734 /nfs/dbraw/zinc/96/07/34/487960734.db2.gz YESFNMRQIPROML-UHFFFAOYSA-N 0 0 245.366 3.533 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N1C2CCCC1CCC2 ZINC000682437760 487963607 /nfs/dbraw/zinc/96/36/07/487963607.db2.gz YIWZAGMBEQYKIQ-PIMMBPRGSA-N 0 0 235.371 3.522 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N1C2CCCC1CCC2 ZINC000682437761 487963937 /nfs/dbraw/zinc/96/39/37/487963937.db2.gz YIWZAGMBEQYKIQ-SSDMNJCBSA-N 0 0 235.371 3.522 20 30 BHEDRN C=C(C)CCSc1cc(C)cc(C)n1 ZINC000682452063 487967299 /nfs/dbraw/zinc/96/72/99/487967299.db2.gz QOELDVNHYHEERH-UHFFFAOYSA-N 0 0 207.342 3.757 20 30 BHEDRN C=CCCCSc1cc(C)cc(C)n1 ZINC000682452396 487967236 /nfs/dbraw/zinc/96/72/36/487967236.db2.gz QBYADAGPKJALOL-UHFFFAOYSA-N 0 0 207.342 3.757 20 30 BHEDRN C=C(CC)CSc1cc(C)cc(C)n1 ZINC000682452561 487967223 /nfs/dbraw/zinc/96/72/23/487967223.db2.gz SUKGPCXDWPNUMN-UHFFFAOYSA-N 0 0 207.342 3.757 20 30 BHEDRN C=C(CC)CNc1ccc(-n2cccn2)cc1C ZINC000682709252 488024346 /nfs/dbraw/zinc/02/43/46/488024346.db2.gz GKELLOMXVSHEGT-UHFFFAOYSA-N 0 0 241.338 3.559 20 30 BHEDRN C=CCCCNc1ccc(-n2cccn2)cc1C ZINC000682709267 488025231 /nfs/dbraw/zinc/02/52/31/488025231.db2.gz GUWJZNOQSZUMFS-UHFFFAOYSA-N 0 0 241.338 3.559 20 30 BHEDRN C=CCc1cccc(C(C)C)c1NC[C@@H](C)CO ZINC000682711507 488024798 /nfs/dbraw/zinc/02/47/98/488024798.db2.gz MHAZYCZCJQPCPY-CYBMUJFWSA-N 0 0 247.382 3.579 20 30 BHEDRN C=CCc1cccc(C(C)C)c1NC[C@H](C)CO ZINC000682711508 488025294 /nfs/dbraw/zinc/02/52/94/488025294.db2.gz 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CCCCNN=C1CCC[C@H]1c1ccccc1 ZINC000732528645 584938253 /nfs/dbraw/zinc/93/82/53/584938253.db2.gz SKLKPBOPORUBBW-AWEZNQCLSA-N 0 0 230.355 3.700 20 30 BHEDRN CCCCNN=C1CCC[C@@H]1c1ccccc1 ZINC000732528646 584938426 /nfs/dbraw/zinc/93/84/26/584938426.db2.gz SKLKPBOPORUBBW-CQSZACIVSA-N 0 0 230.355 3.700 20 30 BHEDRN c1ccc([C@@H]2CCCC2=NNC2CCCC2)cc1 ZINC000732532933 584938301 /nfs/dbraw/zinc/93/83/01/584938301.db2.gz WMAKVZIQXTWNKK-HNNXBMFYSA-N 0 0 242.366 3.842 20 30 BHEDRN c1ccc([C@H]2CCCC2=NNC2CCCC2)cc1 ZINC000732532936 584938376 /nfs/dbraw/zinc/93/83/76/584938376.db2.gz WMAKVZIQXTWNKK-OAHLLOKOSA-N 0 0 242.366 3.842 20 30 BHEDRN CC(=NNc1cc(C)ccc1C)c1nccs1 ZINC000732621769 584939267 /nfs/dbraw/zinc/93/92/67/584939267.db2.gz IECIEVRNXGCRPU-UHFFFAOYSA-N 0 0 245.351 3.596 20 30 BHEDRN CCc1ccccc1NN=C(C)c1nccs1 ZINC000732622297 584939319 /nfs/dbraw/zinc/93/93/19/584939319.db2.gz PNNPSKMTVDXCJK-UHFFFAOYSA-N 0 0 245.351 3.542 20 30 BHEDRN CC(=NNc1cc(C)cc(C)c1)c1nccs1 ZINC000732622361 584939412 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RJCBJJSUCJUDOY-NTEUORMPSA-N 0 0 249.398 3.938 20 30 BHEDRN C=CCN(CC1CCCCC1)C(=O)/C(C)=C\CC ZINC000732644366 641863087 /nfs/dbraw/zinc/86/30/87/641863087.db2.gz RJCBJJSUCJUDOY-ZROIWOOFSA-N 0 0 249.398 3.938 20 30 BHEDRN C=CCN(CC1CCCCC1)C(=O)/C=C\CCC ZINC000732662895 641863796 /nfs/dbraw/zinc/86/37/96/641863796.db2.gz NEBDIFXTVGRMDK-GHXNOFRVSA-N 0 0 249.398 3.938 20 30 BHEDRN C=CCN(CC1CCCCC1)C(=O)/C=C/CCC ZINC000732662896 641864088 /nfs/dbraw/zinc/86/40/88/641864088.db2.gz NEBDIFXTVGRMDK-KPKJPENVSA-N 0 0 249.398 3.938 20 30 BHEDRN C[C@@H]1C[C@H]1c1ccc(C=NNc2ccccc2)o1 ZINC000732763438 641867458 /nfs/dbraw/zinc/86/74/58/641867458.db2.gz YJMZHMWKQXSCFR-BXUZGUMPSA-N 0 0 240.306 3.849 20 30 BHEDRN C[C@H]1C[C@@H]1c1ccc(C=NNc2ccccc2)o1 ZINC000732763442 641867193 /nfs/dbraw/zinc/86/71/93/641867193.db2.gz YJMZHMWKQXSCFR-FZMZJTMJSA-N 0 0 240.306 3.849 20 30 BHEDRN C[C@@H]1C[C@@H]1c1ccc(C=NNc2ccccc2)o1 ZINC000732763445 641867484 /nfs/dbraw/zinc/86/74/84/641867484.db2.gz YJMZHMWKQXSCFR-RISCZKNCSA-N 0 0 240.306 3.849 20 30 BHEDRN C[C@H]1C[C@H]1c1ccc(C=NNc2ccccc2)o1 ZINC000732763447 641867576 /nfs/dbraw/zinc/86/75/76/641867576.db2.gz YJMZHMWKQXSCFR-SMDDNHRTSA-N 0 0 240.306 3.849 20 30 BHEDRN CCCCCCCC(=O)NC[C@H]1CC1(C)C ZINC000732796002 584941168 /nfs/dbraw/zinc/94/11/68/584941168.db2.gz DVXPLAXFVFHPAP-GFCCVEGCSA-N 0 0 225.376 3.509 20 30 BHEDRN CCCCCCCC(=O)NC[C@@H]1CC1(C)C ZINC000732796003 584941115 /nfs/dbraw/zinc/94/11/15/584941115.db2.gz DVXPLAXFVFHPAP-LBPRGKRZSA-N 0 0 225.376 3.509 20 30 BHEDRN CCCCCCCCC(=O)NC[C@H]1CC1(C)C ZINC000732797758 584941030 /nfs/dbraw/zinc/94/10/30/584941030.db2.gz TVNFLAPLGZSYIZ-CYBMUJFWSA-N 0 0 239.403 3.899 20 30 BHEDRN CCCCCCCCC(=O)NC[C@@H]1CC1(C)C ZINC000732797759 584941068 /nfs/dbraw/zinc/94/10/68/584941068.db2.gz TVNFLAPLGZSYIZ-ZDUSSCGKSA-N 0 0 239.403 3.899 20 30 BHEDRN N#CCC[C@H](C#N)CNc1ccc2ccccc2c1 ZINC000732917720 584941737 /nfs/dbraw/zinc/94/17/37/584941737.db2.gz FVBQOGOISZXOCR-CYBMUJFWSA-N 0 0 249.317 3.695 20 30 BHEDRN N#CCC[C@@H](C#N)CNc1ccc2ccccc2c1 ZINC000732917721 584941819 /nfs/dbraw/zinc/94/18/19/584941819.db2.gz FVBQOGOISZXOCR-ZDUSSCGKSA-N 0 0 249.317 3.695 20 30 BHEDRN CCCCCCC[C@@H](C)CNC(=O)N(C)CC ZINC000732922604 584941931 /nfs/dbraw/zinc/94/19/31/584941931.db2.gz OFAXEARULSOGAP-CYBMUJFWSA-N 0 0 242.407 3.644 20 30 BHEDRN CCCCCCC[C@H](C)CNC(=O)N(C)CC ZINC000732922605 584941902 /nfs/dbraw/zinc/94/19/02/584941902.db2.gz OFAXEARULSOGAP-ZDUSSCGKSA-N 0 0 242.407 3.644 20 30 BHEDRN CCCCC(CC)=NNCc1ccccc1 ZINC000732923996 584941866 /nfs/dbraw/zinc/94/18/66/584941866.db2.gz ODBNTHLMMJTJQX-UHFFFAOYSA-N 0 0 218.344 3.732 20 30 BHEDRN CCCCC(CC)N=Nc1cccc(C#N)c1 ZINC000732924100 584941891 /nfs/dbraw/zinc/94/18/91/584941891.db2.gz RBDPYYHTODENOQ-UHFFFAOYSA-N 0 0 229.327 3.926 20 30 BHEDRN CCCCC(CC)N=Nc1ccccc1[N+](=O)[O-] ZINC000732924229 584941922 /nfs/dbraw/zinc/94/19/22/584941922.db2.gz PSLWNLNUOXKJLA-UHFFFAOYSA-N 0 0 249.314 3.963 20 30 BHEDRN CCCCC(CC)N=Nc1cccc([N+](=O)[O-])c1 ZINC000732924345 584941854 /nfs/dbraw/zinc/94/18/54/584941854.db2.gz RTKTXPDEKGUICN-UHFFFAOYSA-N 0 0 249.314 3.963 20 30 BHEDRN CCCCC(CC)N=Nc1nc2ccccc2[nH]1 ZINC000732924498 584941870 /nfs/dbraw/zinc/94/18/70/584941870.db2.gz VWBQRUULPFHIDO-UHFFFAOYSA-N 0 0 244.342 3.931 20 30 BHEDRN CCCCC(CC)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000732924592 584941950 /nfs/dbraw/zinc/94/19/50/584941950.db2.gz ZRYHXJFOUJSUNE-UHFFFAOYSA-N 0 0 249.314 3.963 20 30 BHEDRN CCCCC(CC)N=Nc1ccc(F)cn1 ZINC000732924647 584941965 /nfs/dbraw/zinc/94/19/65/584941965.db2.gz BOOLWTWKMZEORI-UHFFFAOYSA-N 0 0 223.295 3.589 20 30 BHEDRN CCCCC(CC)N=Nc1ccc(C#N)cc1 ZINC000732924696 584941874 /nfs/dbraw/zinc/94/18/74/584941874.db2.gz DQRIILJAVMKEMI-UHFFFAOYSA-N 0 0 229.327 3.926 20 30 BHEDRN CCCCC(CC)N=Nc1ccc(C)cn1 ZINC000732925025 584941909 /nfs/dbraw/zinc/94/19/09/584941909.db2.gz PBJLYCCBSJVQHQ-UHFFFAOYSA-N 0 0 219.332 3.758 20 30 BHEDRN CCCCC(CC)=NNCc1ccc(OC)cc1 ZINC000732925406 584941906 /nfs/dbraw/zinc/94/19/06/584941906.db2.gz ZVHOYIQJXCNFQR-UHFFFAOYSA-N 0 0 248.370 3.741 20 30 BHEDRN Oc1ccccc1/C=N/C/C=C\c1ccccc1 ZINC000732925637 584941816 /nfs/dbraw/zinc/94/18/16/584941816.db2.gz BFWCMARFDAWICA-DMKHZNGKSA-N 0 0 237.302 3.525 20 30 BHEDRN Oc1ccccc1/C=N\C/C=C\c1ccccc1 ZINC000732925640 584941751 /nfs/dbraw/zinc/94/17/51/584941751.db2.gz BFWCMARFDAWICA-HEVASPCPSA-N 0 0 237.302 3.525 20 30 BHEDRN Oc1ccccc1/C=N\C/C=C/c1ccccc1 ZINC000732925641 584941839 /nfs/dbraw/zinc/94/18/39/584941839.db2.gz BFWCMARFDAWICA-IJAMHHMJSA-N 0 0 237.302 3.525 20 30 BHEDRN Oc1ccccc1/C=N/C/C=C/c1ccccc1 ZINC000732925642 584941742 /nfs/dbraw/zinc/94/17/42/584941742.db2.gz BFWCMARFDAWICA-VXFWDVHGSA-N 0 0 237.302 3.525 20 30 BHEDRN CCCCCCCC(=O)N1CCCC(C)(C)C1 ZINC000732969238 641881831 /nfs/dbraw/zinc/88/18/31/641881831.db2.gz VGZMYRNZTDPAQH-UHFFFAOYSA-N 0 0 239.403 3.996 20 30 BHEDRN C#Cc1cccc(N(C)CCC(C)(C)C)c1 ZINC000732982625 584942259 /nfs/dbraw/zinc/94/22/59/584942259.db2.gz GZTOLZCTWDEUJD-UHFFFAOYSA-N 0 0 215.340 3.540 20 30 BHEDRN C=CCOC(=O)C(C)(C)CCCc1ccccc1 ZINC000733027618 584942466 /nfs/dbraw/zinc/94/24/66/584942466.db2.gz JHZOMRVKMUTNNT-UHFFFAOYSA-N 0 0 246.350 3.765 20 30 BHEDRN CCCCCCCOC(=O)C1CCSCC1 ZINC000733051936 584942533 /nfs/dbraw/zinc/94/25/33/584942533.db2.gz CORFKCYDOYSVHS-UHFFFAOYSA-N 0 0 244.400 3.643 20 30 BHEDRN CC(N=Nc1ccc(C#N)cc1)C1CCCC1 ZINC000733075885 584942717 /nfs/dbraw/zinc/94/27/17/584942717.db2.gz ABCWXMVDKMMHHL-UHFFFAOYSA-N 0 0 227.311 3.536 20 30 BHEDRN CC(N=Nc1cccc(F)c1)C1CCCC1 ZINC000733075931 584942885 /nfs/dbraw/zinc/94/28/85/584942885.db2.gz CALRYIOXJXGQGX-UHFFFAOYSA-N 0 0 220.291 3.804 20 30 BHEDRN CC(=NOCc1ccccc1)C1CCCC1 ZINC000733076216 584942851 /nfs/dbraw/zinc/94/28/51/584942851.db2.gz GUXAMMSJXHJZCW-UHFFFAOYSA-N 0 0 217.312 3.769 20 30 BHEDRN CC(N=Nc1ncccc1Cl)C1CCCC1 ZINC000733076321 584942864 /nfs/dbraw/zinc/94/28/64/584942864.db2.gz LPDTWHXZKPSKKF-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN CC(N=Nc1cc(F)cc(F)c1)C1CCCC1 ZINC000733076459 584942821 /nfs/dbraw/zinc/94/28/21/584942821.db2.gz QCDBFMBIKOCQNW-UHFFFAOYSA-N 0 0 238.281 3.943 20 30 BHEDRN CC(=NN[C@H](C)c1ccccc1)C1CCCC1 ZINC000733076561 584942825 /nfs/dbraw/zinc/94/28/25/584942825.db2.gz TWLXRSVBAWOUQE-GFCCVEGCSA-N 0 0 230.355 3.903 20 30 BHEDRN CC(=NN[C@@H](C)c1ccccc1)C1CCCC1 ZINC000733076562 584942775 /nfs/dbraw/zinc/94/27/75/584942775.db2.gz TWLXRSVBAWOUQE-LBPRGKRZSA-N 0 0 230.355 3.903 20 30 BHEDRN CC(N=Nc1ccccc1F)C1CCCC1 ZINC000733076613 584942878 /nfs/dbraw/zinc/94/28/78/584942878.db2.gz PFSFOLCRTSKMNC-UHFFFAOYSA-N 0 0 220.291 3.804 20 30 BHEDRN CC(=NNCCCc1ccccc1)C1CCCC1 ZINC000733076744 584942733 /nfs/dbraw/zinc/94/27/33/584942733.db2.gz XHNWHKWKXPJQNK-UHFFFAOYSA-N 0 0 244.382 3.775 20 30 BHEDRN CC(N=Nc1cccc(C#N)c1)C1CCCC1 ZINC000733076824 584942785 /nfs/dbraw/zinc/94/27/85/584942785.db2.gz VCPHKARXAHPNKG-UHFFFAOYSA-N 0 0 227.311 3.536 20 30 BHEDRN COc1cccc(N=NC(C)C2CCCC2)c1 ZINC000733076910 584942726 /nfs/dbraw/zinc/94/27/26/584942726.db2.gz YDAQBIUEQYFXSZ-UHFFFAOYSA-N 0 0 232.327 3.673 20 30 BHEDRN CC(N=Nc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000733077489 584942804 /nfs/dbraw/zinc/94/28/04/584942804.db2.gz AEWJSZWDUVWNLM-UHFFFAOYSA-N 0 0 247.298 3.573 20 30 BHEDRN CC(N=Nc1ccc(F)cc1)C1CCCC1 ZINC000733077556 584942867 /nfs/dbraw/zinc/94/28/67/584942867.db2.gz CIDNZXLUIZVVRE-UHFFFAOYSA-N 0 0 220.291 3.804 20 30 BHEDRN CC(N=Nc1nc2ccccc2[nH]1)C1CCCC1 ZINC000733077561 584942749 /nfs/dbraw/zinc/94/27/49/584942749.db2.gz CJBGKJAILZPKTF-UHFFFAOYSA-N 0 0 242.326 3.541 20 30 BHEDRN CC(N=Nc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000733077606 584942758 /nfs/dbraw/zinc/94/27/58/584942758.db2.gz FEAJQUNIQYNAAV-UHFFFAOYSA-N 0 0 247.298 3.573 20 30 BHEDRN Cc1ccc(N=NC(C)C2CCCC2)cc1 ZINC000733077820 584942876 /nfs/dbraw/zinc/94/28/76/584942876.db2.gz NHRLFQWTCKRDMM-UHFFFAOYSA-N 0 0 216.328 3.973 20 30 BHEDRN CC(N=Nc1ccc(F)cc1F)C1CCCC1 ZINC000733078179 584942881 /nfs/dbraw/zinc/94/28/81/584942881.db2.gz UOYLZXHEYWLPFN-UHFFFAOYSA-N 0 0 238.281 3.943 20 30 BHEDRN CC(N=Nc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000733078326 584942751 /nfs/dbraw/zinc/94/27/51/584942751.db2.gz WUTGLBCLKMDQPV-UHFFFAOYSA-N 0 0 247.298 3.573 20 30 BHEDRN Cc1cccc(N=NC(C)C2CCCC2)c1 ZINC000733078357 584942922 /nfs/dbraw/zinc/94/29/22/584942922.db2.gz XFDBEYNWUDDOKZ-UHFFFAOYSA-N 0 0 216.328 3.973 20 30 BHEDRN C#CCCNC(=O)[C@@H](CCC)CC1CCCCC1 ZINC000733247003 711904028 /nfs/dbraw/zinc/90/40/28/711904028.db2.gz HDZDHAUIWJQYBU-HNNXBMFYSA-N 0 0 249.398 3.513 20 30 BHEDRN C#CCCNC(=O)[C@H](CCC)CC1CCCCC1 ZINC000733247005 711904002 /nfs/dbraw/zinc/90/40/02/711904002.db2.gz HDZDHAUIWJQYBU-OAHLLOKOSA-N 0 0 249.398 3.513 20 30 BHEDRN C=C(C)CN(C)c1ccc(C)c(Cl)c1 ZINC000733311349 584946768 /nfs/dbraw/zinc/94/67/68/584946768.db2.gz RCOIEOWGAOLFFH-UHFFFAOYSA-N 0 0 209.720 3.661 20 30 BHEDRN C=CCCC(=O)OC[C@@H]1CCCc2ccccc21 ZINC000733479646 584950242 /nfs/dbraw/zinc/95/02/42/584950242.db2.gz WBWMZPOBIGXPFC-AWEZNQCLSA-N 0 0 244.334 3.616 20 30 BHEDRN C=CCCC(=O)OC[C@H]1CCCc2ccccc21 ZINC000733479647 584950234 /nfs/dbraw/zinc/95/02/34/584950234.db2.gz WBWMZPOBIGXPFC-CQSZACIVSA-N 0 0 244.334 3.616 20 30 BHEDRN C=CCOC(=O)[C@H](CCC)CC1CCCC1 ZINC000733603165 584951099 /nfs/dbraw/zinc/95/10/99/584951099.db2.gz FUFCJTWXUQSEFN-CYBMUJFWSA-N 0 0 224.344 3.712 20 30 BHEDRN C=CCOC(=O)[C@@H](CCC)CC1CCCC1 ZINC000733603166 584951042 /nfs/dbraw/zinc/95/10/42/584951042.db2.gz FUFCJTWXUQSEFN-ZDUSSCGKSA-N 0 0 224.344 3.712 20 30 BHEDRN C=C(Cl)CN(C)CCc1ccc(Cl)cc1 ZINC000733614264 584951348 /nfs/dbraw/zinc/95/13/48/584951348.db2.gz IYJLJIJGVWNXPF-UHFFFAOYSA-N 0 0 244.165 3.567 20 30 BHEDRN C=CCCC(=O)Oc1cc(C(C)C)ccc1C ZINC000733677437 584951728 /nfs/dbraw/zinc/95/17/28/584951728.db2.gz BTGSWXVAGATTOH-UHFFFAOYSA-N 0 0 232.323 3.990 20 30 BHEDRN C=CCCC(=O)Oc1ccc(/C=C\C)cc1OC ZINC000733677850 584951716 /nfs/dbraw/zinc/95/17/16/584951716.db2.gz GQKKMKSRKBSPIV-ALCCZGGFSA-N 0 0 246.306 3.600 20 30 BHEDRN C=CCCC(=O)Oc1cc(C)ccc1C(C)C ZINC000733678271 584951730 /nfs/dbraw/zinc/95/17/30/584951730.db2.gz PZLAHUFLAQBMNC-UHFFFAOYSA-N 0 0 232.323 3.990 20 30 BHEDRN C=CCc1ccccc1OC(=O)[C@H](C)C(C)C ZINC000733678296 584951644 /nfs/dbraw/zinc/95/16/44/584951644.db2.gz WXNZPXGZKSZRCZ-GFCCVEGCSA-N 0 0 232.323 3.613 20 30 BHEDRN C=CCc1ccccc1OC(=O)[C@@H](C)C(C)C ZINC000733678297 584951622 /nfs/dbraw/zinc/95/16/22/584951622.db2.gz WXNZPXGZKSZRCZ-LBPRGKRZSA-N 0 0 232.323 3.613 20 30 BHEDRN C=CCCC(=O)OC1CCCCCCC1 ZINC000733681351 584951655 /nfs/dbraw/zinc/95/16/55/584951655.db2.gz RMVLWHKNEWPFHO-UHFFFAOYSA-N 0 0 210.317 3.609 20 30 BHEDRN C=CCCC(=O)O[C@H](C)CCCCCC ZINC000733681464 584951712 /nfs/dbraw/zinc/95/17/12/584951712.db2.gz BTZIJTOQDKOCJO-GFCCVEGCSA-N 0 0 212.333 3.855 20 30 BHEDRN C=CCCC(=O)O[C@@H](C)CCCCCC ZINC000733681465 584951656 /nfs/dbraw/zinc/95/16/56/584951656.db2.gz BTZIJTOQDKOCJO-LBPRGKRZSA-N 0 0 212.333 3.855 20 30 BHEDRN C=CCCC(=O)OC[C@H](CC)CCCC ZINC000733681958 584951698 /nfs/dbraw/zinc/95/16/98/584951698.db2.gz AQAPUTCTNFLCQK-GFCCVEGCSA-N 0 0 212.333 3.712 20 30 BHEDRN C=CCCC(=O)OC[C@@H](CC)CCCC ZINC000733681959 584951632 /nfs/dbraw/zinc/95/16/32/584951632.db2.gz AQAPUTCTNFLCQK-LBPRGKRZSA-N 0 0 212.333 3.712 20 30 BHEDRN C#CCCOC(=O)[C@@H](CCC)CC1CCCC1 ZINC000733683343 584951857 /nfs/dbraw/zinc/95/18/57/584951857.db2.gz VCEZKJILTUBPRL-AWEZNQCLSA-N 0 0 236.355 3.550 20 30 BHEDRN C#CCCOC(=O)[C@H](CCC)CC1CCCC1 ZINC000733683355 584951808 /nfs/dbraw/zinc/95/18/08/584951808.db2.gz VCEZKJILTUBPRL-CQSZACIVSA-N 0 0 236.355 3.550 20 30 BHEDRN C=CCCC(=O)O[C@@H](C)c1ccccc1C ZINC000733685116 584952043 /nfs/dbraw/zinc/95/20/43/584952043.db2.gz OPIQCQPMLPAAQU-LBPRGKRZSA-N 0 0 218.296 3.565 20 30 BHEDRN C=CCCC(=O)O[C@@H](CC)c1ccc(C)cc1 ZINC000733685376 584952056 /nfs/dbraw/zinc/95/20/56/584952056.db2.gz JZUJYUGSRKPZCI-AWEZNQCLSA-N 0 0 232.323 3.956 20 30 BHEDRN C=CCCC(=O)O[C@H](CC)c1ccc(C)cc1 ZINC000733685378 584952082 /nfs/dbraw/zinc/95/20/82/584952082.db2.gz JZUJYUGSRKPZCI-CQSZACIVSA-N 0 0 232.323 3.956 20 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584970575 /nfs/dbraw/zinc/97/05/75/584970575.db2.gz JXBJHWJQVUDORV-UHFFFAOYSA-N 0 0 243.281 3.685 20 30 BHEDRN CCON=C(C)c1cccc(Cl)c1Cl ZINC000734978545 584970777 /nfs/dbraw/zinc/97/07/77/584970777.db2.gz LTOPKWGVQLIBEA-UHFFFAOYSA-N 0 0 232.110 3.754 20 30 BHEDRN CCON=C(C)c1ccc(SC(F)F)cc1 ZINC000734978866 584970792 /nfs/dbraw/zinc/97/07/92/584970792.db2.gz WHEZFSKFYHLODK-UHFFFAOYSA-N 0 0 245.294 3.762 20 30 BHEDRN CC[C@H]1CCCC(N=Nc2ccc(F)cn2)C1 ZINC000734978932 584970624 /nfs/dbraw/zinc/97/06/24/584970624.db2.gz FXIZJNOUGSUGHO-JTQLQIEISA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@@H]1CCCC(N=Nc2ccc(F)cn2)C1 ZINC000734978933 584970633 /nfs/dbraw/zinc/97/06/33/584970633.db2.gz FXIZJNOUGSUGHO-SNVBAGLBSA-N 0 0 235.306 3.589 20 30 BHEDRN CCC(CC)NN=C1CCC[C@@H](CC)C1 ZINC000734979101 584970725 /nfs/dbraw/zinc/97/07/25/584970725.db2.gz JRDCJVUNMZYNTC-LLVKDONJSA-N 0 0 210.365 3.721 20 30 BHEDRN CCC(CC)NN=C1CCC[C@H](CC)C1 ZINC000734979103 584970709 /nfs/dbraw/zinc/97/07/09/584970709.db2.gz 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ZINC000734988077 584970845 /nfs/dbraw/zinc/97/08/45/584970845.db2.gz VXZPPXVUVFEOAL-GFCCVEGCSA-N 0 0 248.395 3.554 20 30 BHEDRN C=CC[C@H](C)NC(=S)Nc1cc(C)ccc1C ZINC000734988079 584970988 /nfs/dbraw/zinc/97/09/88/584970988.db2.gz VXZPPXVUVFEOAL-LBPRGKRZSA-N 0 0 248.395 3.554 20 30 BHEDRN C=CC[C@@H](C)NC(=S)Nc1c(C)cccc1C ZINC000734988365 584970918 /nfs/dbraw/zinc/97/09/18/584970918.db2.gz XLMNGZLJYKVZPX-GFCCVEGCSA-N 0 0 248.395 3.554 20 30 BHEDRN C=CC[C@H](C)NC(=S)Nc1c(C)cccc1C ZINC000734988366 584971011 /nfs/dbraw/zinc/97/10/11/584971011.db2.gz XLMNGZLJYKVZPX-LBPRGKRZSA-N 0 0 248.395 3.554 20 30 BHEDRN C=CC[C@@H](C)NC(=S)Nc1cc(C)cc(C)c1 ZINC000734988661 584970920 /nfs/dbraw/zinc/97/09/20/584970920.db2.gz ZZXXKWXYCQROBD-GFCCVEGCSA-N 0 0 248.395 3.554 20 30 BHEDRN C=CC[C@H](C)NC(=S)Nc1cc(C)cc(C)c1 ZINC000734988662 584971025 /nfs/dbraw/zinc/97/10/25/584971025.db2.gz ZZXXKWXYCQROBD-LBPRGKRZSA-N 0 0 248.395 3.554 20 30 BHEDRN C=CC[C@@H](C)NC(=O)CCCCCCCC ZINC000735068640 584971995 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c1ccc(CNN=C2CCC[C@@H](C3CC3)C2)cc1 ZINC000737423155 585031957 /nfs/dbraw/zinc/03/19/57/585031957.db2.gz QXAWZBQSRVGBJS-OAHLLOKOSA-N 0 0 242.366 3.732 20 30 BHEDRN CCCCC(COC)N=Nc1ccccc1CC ZINC000737429506 585032118 /nfs/dbraw/zinc/03/21/18/585032118.db2.gz WLAFQAONBLCLEE-UHFFFAOYSA-N 0 0 248.370 3.854 20 30 BHEDRN CCCCC(COC)=NN[C@H](C)c1ccccc1 ZINC000737430265 585032070 /nfs/dbraw/zinc/03/20/70/585032070.db2.gz NPBIATRJNCYQGE-CYBMUJFWSA-N 0 0 248.370 3.530 20 30 BHEDRN CCCCC(COC)=NN[C@@H](C)c1ccccc1 ZINC000737430266 585032209 /nfs/dbraw/zinc/03/22/09/585032209.db2.gz NPBIATRJNCYQGE-ZDUSSCGKSA-N 0 0 248.370 3.530 20 30 BHEDRN Fc1ccc(N=NC2CCC[C@@H](C3CC3)C2)nc1 ZINC000737431881 585032085 /nfs/dbraw/zinc/03/20/85/585032085.db2.gz QEAXKOISKXSVPN-LLVKDONJSA-N 0 0 247.317 3.589 20 30 BHEDRN Fc1ccc(N=NC2CCC[C@H](C3CC3)C2)nc1 ZINC000737431882 585032142 /nfs/dbraw/zinc/03/21/42/585032142.db2.gz QEAXKOISKXSVPN-NSHDSACASA-N 0 0 247.317 3.589 20 30 BHEDRN CCC(CC)NN=C1CCC[C@@H](C2CC2)C1 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ZINC000743445231 585137123 /nfs/dbraw/zinc/13/71/23/585137123.db2.gz KUELQKQSLQZIJU-UHFFFAOYSA-N 0 0 248.370 3.682 20 30 BHEDRN Cc1ccoc1C=NNc1c(C)cc(C)cc1C ZINC000743445269 585137178 /nfs/dbraw/zinc/13/71/78/585137178.db2.gz MIYNSEQVLLLQAQ-UHFFFAOYSA-N 0 0 242.322 3.959 20 30 BHEDRN CC(C)C(N=Nc1ccc(Cl)nc1)C1CC1 ZINC000743449650 585137267 /nfs/dbraw/zinc/13/72/67/585137267.db2.gz BSVMUGGKYSPESR-UHFFFAOYSA-N 0 0 237.734 3.569 20 30 BHEDRN CCCCCC[C@@H](C)NN=Cc1ccc(O)cc1 ZINC000743449759 585137273 /nfs/dbraw/zinc/13/72/73/585137273.db2.gz AVRHZVNMGCXTLC-CYBMUJFWSA-N 0 0 248.370 3.675 20 30 BHEDRN CCCCCC[C@H](C)NN=Cc1ccc(O)cc1 ZINC000743449761 585137251 /nfs/dbraw/zinc/13/72/51/585137251.db2.gz AVRHZVNMGCXTLC-ZDUSSCGKSA-N 0 0 248.370 3.675 20 30 BHEDRN CCCCCC[C@@H](C)NN=Cc1occc1C ZINC000743449768 585137197 /nfs/dbraw/zinc/13/71/97/585137197.db2.gz AYJOVLSNCFIMDW-CYBMUJFWSA-N 0 0 236.359 3.870 20 30 BHEDRN CCCCCC[C@H](C)NN=Cc1occc1C ZINC000743449769 585137173 /nfs/dbraw/zinc/13/71/73/585137173.db2.gz AYJOVLSNCFIMDW-ZDUSSCGKSA-N 0 0 236.359 3.870 20 30 BHEDRN CCCCCC[C@@H](C)NN=C(C)c1ccncc1 ZINC000743449788 585137226 /nfs/dbraw/zinc/13/72/26/585137226.db2.gz BIQQBJKNPRKRQM-CYBMUJFWSA-N 0 0 247.386 3.754 20 30 BHEDRN CCCCCC[C@H](C)NN=C(C)c1ccncc1 ZINC000743449791 585137294 /nfs/dbraw/zinc/13/72/94/585137294.db2.gz BIQQBJKNPRKRQM-ZDUSSCGKSA-N 0 0 247.386 3.754 20 30 BHEDRN CC(=NNc1ccc(Cl)nc1)c1ccccc1 ZINC000743450015 585137288 /nfs/dbraw/zinc/13/72/88/585137288.db2.gz KPXNSLZBDFEODC-UHFFFAOYSA-N 0 0 245.713 3.571 20 30 BHEDRN CCCCCC[C@@H](C)NN=Cc1cc(C)[nH]c1C ZINC000743450041 585137301 /nfs/dbraw/zinc/13/73/01/585137301.db2.gz FFXBYPJUZBZTJV-GFCCVEGCSA-N 0 0 249.402 3.914 20 30 BHEDRN CCCCCC[C@H](C)NN=Cc1cc(C)[nH]c1C ZINC000743450042 585137210 /nfs/dbraw/zinc/13/72/10/585137210.db2.gz FFXBYPJUZBZTJV-LBPRGKRZSA-N 0 0 249.402 3.914 20 30 BHEDRN CCCCCC[C@@H](C)NN=Cc1ccco1 ZINC000743450050 585137306 /nfs/dbraw/zinc/13/73/06/585137306.db2.gz FLQJRFMNXXHAAP-GFCCVEGCSA-N 0 0 222.332 3.562 20 30 BHEDRN CCCCCC[C@H](C)NN=Cc1ccco1 ZINC000743450051 585137167 /nfs/dbraw/zinc/13/71/67/585137167.db2.gz FLQJRFMNXXHAAP-LBPRGKRZSA-N 0 0 222.332 3.562 20 30 BHEDRN CCCCCC[C@H](C)NN=Cc1ccccc1 ZINC000743450106 585137155 /nfs/dbraw/zinc/13/71/55/585137155.db2.gz GJGLKMVYYQIQQI-AWEZNQCLSA-N 0 0 232.371 3.969 20 30 BHEDRN CCCCCC[C@@H](C)NN=Cc1ccccc1 ZINC000743450109 585137171 /nfs/dbraw/zinc/13/71/71/585137171.db2.gz GJGLKMVYYQIQQI-CQSZACIVSA-N 0 0 232.371 3.969 20 30 BHEDRN CCCCCC[C@@H](C)NN=C1CCn2cccc21 ZINC000743450293 585137146 /nfs/dbraw/zinc/13/71/46/585137146.db2.gz IADQXSUIVWMBBB-CYBMUJFWSA-N 0 0 247.386 3.544 20 30 BHEDRN CCCCCC[C@H](C)NN=C1CCn2cccc21 ZINC000743450294 585137238 /nfs/dbraw/zinc/13/72/38/585137238.db2.gz IADQXSUIVWMBBB-ZDUSSCGKSA-N 0 0 247.386 3.544 20 30 BHEDRN CCCCCC[C@@H](C)NN=C(C)c1ccco1 ZINC000743450320 585137114 /nfs/dbraw/zinc/13/71/14/585137114.db2.gz IGZLDRRGBOQMGW-GFCCVEGCSA-N 0 0 236.359 3.952 20 30 BHEDRN CCCCCC[C@H](C)NN=C(C)c1ccco1 ZINC000743450323 585137237 /nfs/dbraw/zinc/13/72/37/585137237.db2.gz IGZLDRRGBOQMGW-LBPRGKRZSA-N 0 0 236.359 3.952 20 30 BHEDRN CCC(CC)CN=Nc1ccc(Cl)nc1 ZINC000743450489 585137302 /nfs/dbraw/zinc/13/73/02/585137302.db2.gz SBHCWBOZRZDSEZ-UHFFFAOYSA-N 0 0 225.723 3.569 20 30 BHEDRN Clc1ccc(N=NC2CCCCCC2)cn1 ZINC000743450506 585137264 /nfs/dbraw/zinc/13/72/64/585137264.db2.gz SQVQJIKHYUMHJZ-UHFFFAOYSA-N 0 0 237.734 3.857 20 30 BHEDRN CCCCCC[C@@H](C)NN=Cc1ccoc1 ZINC000743450587 585137232 /nfs/dbraw/zinc/13/72/32/585137232.db2.gz NNAOBCZRIRIYSN-GFCCVEGCSA-N 0 0 222.332 3.562 20 30 BHEDRN CCCCCC[C@H](C)NN=Cc1ccoc1 ZINC000743450588 585137112 /nfs/dbraw/zinc/13/71/12/585137112.db2.gz NNAOBCZRIRIYSN-LBPRGKRZSA-N 0 0 222.332 3.562 20 30 BHEDRN CCCCCC[C@@H](C)NN=C1CCCC1 ZINC000743450602 585137193 /nfs/dbraw/zinc/13/71/93/585137193.db2.gz NURSYOMROIWMNE-GFCCVEGCSA-N 0 0 210.365 3.865 20 30 BHEDRN CCCCCC[C@H](C)NN=C1CCCC1 ZINC000743450603 585137182 /nfs/dbraw/zinc/13/71/82/585137182.db2.gz NURSYOMROIWMNE-LBPRGKRZSA-N 0 0 210.365 3.865 20 30 BHEDRN Clc1ccc(N=NCC2CCCCC2)cn1 ZINC000743450630 585137266 /nfs/dbraw/zinc/13/72/66/585137266.db2.gz UQONDZVSCQGYQG-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN CCCCCC[C@@H](C)NN=C(C)c1ccccn1 ZINC000743450758 585137194 /nfs/dbraw/zinc/13/71/94/585137194.db2.gz PUTDXRUZNDYNHO-CYBMUJFWSA-N 0 0 247.386 3.754 20 30 BHEDRN CCCCCC[C@H](C)NN=C(C)c1ccccn1 ZINC000743450759 585137179 /nfs/dbraw/zinc/13/71/79/585137179.db2.gz PUTDXRUZNDYNHO-ZDUSSCGKSA-N 0 0 247.386 3.754 20 30 BHEDRN CCCCCC[C@@H](C)NN=C(COC)C(C)C ZINC000743450819 585137147 /nfs/dbraw/zinc/13/71/47/585137147.db2.gz QZYMBHYWHBXEGD-CYBMUJFWSA-N 0 0 242.407 3.593 20 30 BHEDRN CCCCCC[C@H](C)NN=C(COC)C(C)C ZINC000743450820 585137287 /nfs/dbraw/zinc/13/72/87/585137287.db2.gz QZYMBHYWHBXEGD-ZDUSSCGKSA-N 0 0 242.407 3.593 20 30 BHEDRN CCCCCC[C@@H](C)NN=C(C)c1ccc[nH]1 ZINC000743450821 585137322 /nfs/dbraw/zinc/13/73/22/585137322.db2.gz RAJNYZZFHSWFKZ-GFCCVEGCSA-N 0 0 235.375 3.687 20 30 BHEDRN CCCCCC[C@H](C)NN=C(C)c1ccc[nH]1 ZINC000743450822 585137233 /nfs/dbraw/zinc/13/72/33/585137233.db2.gz RAJNYZZFHSWFKZ-LBPRGKRZSA-N 0 0 235.375 3.687 20 30 BHEDRN CCCCCC[C@@H](C)NN=Cc1cccnc1C ZINC000743450833 582846828 /nfs/dbraw/zinc/84/68/28/582846828.db2.gz RKOXKKULZLKCLQ-CYBMUJFWSA-N 0 0 247.386 3.672 20 30 BHEDRN CCCCCC[C@H](C)NN=Cc1cccnc1C ZINC000743450834 582846603 /nfs/dbraw/zinc/84/66/03/582846603.db2.gz RKOXKKULZLKCLQ-ZDUSSCGKSA-N 0 0 247.386 3.672 20 30 BHEDRN CCCCCC[C@@H](C)NN=Cc1cccc(O)c1 ZINC000743450856 582846851 /nfs/dbraw/zinc/84/68/51/582846851.db2.gz RXMLQYSPJYWJAB-CYBMUJFWSA-N 0 0 248.370 3.675 20 30 BHEDRN CCCCCC[C@H](C)NN=Cc1cccc(O)c1 ZINC000743450857 582846433 /nfs/dbraw/zinc/84/64/33/582846433.db2.gz RXMLQYSPJYWJAB-ZDUSSCGKSA-N 0 0 248.370 3.675 20 30 BHEDRN CCCCCC[C@@H](C)NN=C(C)c1cccnc1 ZINC000743451008 585137164 /nfs/dbraw/zinc/13/71/64/585137164.db2.gz WWOCETFOIJVJTB-CYBMUJFWSA-N 0 0 247.386 3.754 20 30 BHEDRN CCCCCC[C@H](C)NN=C(C)c1cccnc1 ZINC000743451009 585137307 /nfs/dbraw/zinc/13/73/07/585137307.db2.gz WWOCETFOIJVJTB-ZDUSSCGKSA-N 0 0 247.386 3.754 20 30 BHEDRN CCCCCC[C@@H](C)NN=Cc1ccc(C)o1 ZINC000743451061 582846835 /nfs/dbraw/zinc/84/68/35/582846835.db2.gz YVCOPJKCWTZJJM-GFCCVEGCSA-N 0 0 236.359 3.870 20 30 BHEDRN CCCCCC[C@H](C)NN=Cc1ccc(C)o1 ZINC000743451062 582846751 /nfs/dbraw/zinc/84/67/51/582846751.db2.gz YVCOPJKCWTZJJM-LBPRGKRZSA-N 0 0 236.359 3.870 20 30 BHEDRN C=CCCC(CC)N=Nc1ccc(Cl)nc1 ZINC000743451115 585137231 /nfs/dbraw/zinc/13/72/31/585137231.db2.gz ZYLWJDLTCBYEPY-UHFFFAOYSA-N 0 0 237.734 3.879 20 30 BHEDRN CC(N=Nc1ccc(Cl)nc1)C1CCCC1 ZINC000743451807 585137258 /nfs/dbraw/zinc/13/72/58/585137258.db2.gz MAYMPPIYGADLEG-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN C[Si](C)(C)CSc1ccccc1C#N ZINC000743454104 585137334 /nfs/dbraw/zinc/13/73/34/585137334.db2.gz FKFWTYUTSNDPFB-UHFFFAOYSA-N 0 0 221.401 3.528 20 30 BHEDRN N#Cc1ccccc1SCCCCCCCO ZINC000743454109 585137362 /nfs/dbraw/zinc/13/73/62/585137362.db2.gz FLSRRMYARLWZHP-UHFFFAOYSA-N 0 0 249.379 3.593 20 30 BHEDRN N#Cc1ccccc1SCC(F)(F)C(F)F ZINC000743454135 585137333 /nfs/dbraw/zinc/13/73/33/585137333.db2.gz GBPJRQANYWEHOC-UHFFFAOYSA-N 0 0 249.232 3.551 20 30 BHEDRN N#Cc1ccccc1SCCc1cccs1 ZINC000743454893 585137359 /nfs/dbraw/zinc/13/73/59/585137359.db2.gz RIGHMXUXJAFAOX-UHFFFAOYSA-N 0 0 245.372 3.955 20 30 BHEDRN C#CCN(C(=O)/C=C(\C)CCC)C1CCCCC1 ZINC000743689782 585138583 /nfs/dbraw/zinc/13/85/83/585138583.db2.gz BCWHKPKACVJMBI-BUHFOSPRSA-N 0 0 247.382 3.527 20 30 BHEDRN C#CCN(C(=O)/C=C(/C)CCC)C1CCCCC1 ZINC000743689784 585138631 /nfs/dbraw/zinc/13/86/31/585138631.db2.gz BCWHKPKACVJMBI-YPKPFQOOSA-N 0 0 247.382 3.527 20 30 BHEDRN CCCCCCCC(=O)NCC(C)(C)SC ZINC000743793802 585139567 /nfs/dbraw/zinc/13/95/67/585139567.db2.gz NMAPPKOZSFAGNL-UHFFFAOYSA-N 0 0 245.432 3.605 20 30 BHEDRN CCCCCCCC(=O)N1C[C@@H](C)CC[C@@H]1C ZINC000743799543 585139718 /nfs/dbraw/zinc/13/97/18/585139718.db2.gz FRQYVRZWEKPGOD-KBPBESRZSA-N 0 0 239.403 3.994 20 30 BHEDRN CCCCCCCC(=O)N1C[C@H](C)CC[C@@H]1C ZINC000743799545 585139738 /nfs/dbraw/zinc/13/97/38/585139738.db2.gz FRQYVRZWEKPGOD-KGLIPLIRSA-N 0 0 239.403 3.994 20 30 BHEDRN CCCCCCCC(=O)N1C[C@@H](C)CC[C@H]1C ZINC000743799546 585139733 /nfs/dbraw/zinc/13/97/33/585139733.db2.gz FRQYVRZWEKPGOD-UONOGXRCSA-N 0 0 239.403 3.994 20 30 BHEDRN CCCCCCCC(=O)N1C[C@H](C)CC[C@H]1C ZINC000743799548 585139754 /nfs/dbraw/zinc/13/97/54/585139754.db2.gz FRQYVRZWEKPGOD-ZIAGYGMSSA-N 0 0 239.403 3.994 20 30 BHEDRN CCCCCCCCCn1nnnc1C(C)C ZINC000743824316 585139937 /nfs/dbraw/zinc/13/99/37/585139937.db2.gz YQWQWDCJOBCGOH-UHFFFAOYSA-N 0 0 238.379 3.547 20 30 BHEDRN C=C(Cl)CN1CC[C@H](C)C[C@@H]1c1ccco1 ZINC000743876156 585141749 /nfs/dbraw/zinc/14/17/49/585141749.db2.gz VEUSMZDBEUFQJC-CMPLNLGQSA-N 0 0 239.746 3.805 20 30 BHEDRN C=C(Cl)CN1CC[C@H](C)C[C@H]1c1ccco1 ZINC000743876158 585141638 /nfs/dbraw/zinc/14/16/38/585141638.db2.gz VEUSMZDBEUFQJC-JQWIXIFHSA-N 0 0 239.746 3.805 20 30 BHEDRN C=C(Cl)CN1CC[C@@H](C)C[C@H]1c1ccco1 ZINC000743876161 585141734 /nfs/dbraw/zinc/14/17/34/585141734.db2.gz VEUSMZDBEUFQJC-PWSUYJOCSA-N 0 0 239.746 3.805 20 30 BHEDRN C=C(Cl)CN1CC[C@@H](C)C[C@@H]1c1ccco1 ZINC000743876164 585141664 /nfs/dbraw/zinc/14/16/64/585141664.db2.gz VEUSMZDBEUFQJC-ZYHUDNBSSA-N 0 0 239.746 3.805 20 30 BHEDRN C=CCc1ccccc1OC(=O)[C@H](C)CCC ZINC000744022818 585142335 /nfs/dbraw/zinc/14/23/35/585142335.db2.gz JHVFQSJYCWEDPL-GFCCVEGCSA-N 0 0 232.323 3.757 20 30 BHEDRN C=CCc1ccccc1OC(=O)[C@@H](C)CCC ZINC000744022819 585142165 /nfs/dbraw/zinc/14/21/65/585142165.db2.gz JHVFQSJYCWEDPL-LBPRGKRZSA-N 0 0 232.323 3.757 20 30 BHEDRN C=CCc1ccccc1OC(=O)CC1CCC1 ZINC000744024347 585142024 /nfs/dbraw/zinc/14/20/24/585142024.db2.gz VEXCXNFRXHKXES-UHFFFAOYSA-N 0 0 230.307 3.511 20 30 BHEDRN C=C(C)COC(=O)[C@H](c1ccccc1)C(C)C ZINC000744039788 585142473 /nfs/dbraw/zinc/14/24/73/585142473.db2.gz APHHNBVOBNXVQA-AWEZNQCLSA-N 0 0 232.323 3.546 20 30 BHEDRN C=C(C)COC(=O)[C@@H](c1ccccc1)C(C)C ZINC000744039790 585142506 /nfs/dbraw/zinc/14/25/06/585142506.db2.gz APHHNBVOBNXVQA-CQSZACIVSA-N 0 0 232.323 3.546 20 30 BHEDRN C=C(C)COC(=O)[C@H](C)CCCCCC ZINC000744040065 585142535 /nfs/dbraw/zinc/14/25/35/585142535.db2.gz CFTJWLGVJRHDSY-GFCCVEGCSA-N 0 0 212.333 3.712 20 30 BHEDRN C=C(C)COC(=O)[C@@H](C)CCCCCC ZINC000744040066 585142425 /nfs/dbraw/zinc/14/24/25/585142425.db2.gz CFTJWLGVJRHDSY-LBPRGKRZSA-N 0 0 212.333 3.712 20 30 BHEDRN C#CCOC(=O)[C@@](C)(CC)CCCCCC ZINC000744040088 585142516 /nfs/dbraw/zinc/14/25/16/585142516.db2.gz HPAMGRCFLAQGMM-AWEZNQCLSA-N 0 0 224.344 3.550 20 30 BHEDRN C#CCOC(=O)[C@](C)(CC)CCCCCC ZINC000744040091 585142410 /nfs/dbraw/zinc/14/24/10/585142410.db2.gz HPAMGRCFLAQGMM-CQSZACIVSA-N 0 0 224.344 3.550 20 30 BHEDRN C=C(C)COC(=O)C[C@H](C)CCCCC ZINC000744040105 582863048 /nfs/dbraw/zinc/86/30/48/582863048.db2.gz CMUAZUSXPLPKJY-GFCCVEGCSA-N 0 0 212.333 3.712 20 30 BHEDRN C=C(C)COC(=O)C[C@@H](C)CCCCC ZINC000744040106 582862993 /nfs/dbraw/zinc/86/29/93/582862993.db2.gz CMUAZUSXPLPKJY-LBPRGKRZSA-N 0 0 212.333 3.712 20 30 BHEDRN C=C(C)COC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000744040536 585141865 /nfs/dbraw/zinc/14/18/65/585141865.db2.gz QJHVIZPTAHSVMH-JTQLQIEISA-N 0 0 238.714 3.563 20 30 BHEDRN C=C(C)COC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000744040537 585141937 /nfs/dbraw/zinc/14/19/37/585141937.db2.gz QJHVIZPTAHSVMH-SNVBAGLBSA-N 0 0 238.714 3.563 20 30 BHEDRN C=C(C)COC(=O)C(CC)(CC)c1ccccc1 ZINC000744040569 585142512 /nfs/dbraw/zinc/14/25/12/585142512.db2.gz RSSFBYHWVZHICY-UHFFFAOYSA-N 0 0 246.350 3.864 20 30 BHEDRN C=CCOC(=O)/C=C(\CC)c1ccc(C)cc1 ZINC000744042589 582863985 /nfs/dbraw/zinc/86/39/85/582863985.db2.gz UOXDYHSYLHDUDD-ACCUITESSA-N 0 0 230.307 3.518 20 30 BHEDRN C=CCOC(=O)/C=C(/CC)c1ccc(C)cc1 ZINC000744042590 582864097 /nfs/dbraw/zinc/86/40/97/582864097.db2.gz UOXDYHSYLHDUDD-QBFSEMIESA-N 0 0 230.307 3.518 20 30 BHEDRN C=CCOC(=O)C1CCC(c2ccccc2)CC1 ZINC000744042625 582864160 /nfs/dbraw/zinc/86/41/60/582864160.db2.gz WVVFLQATIRIVID-UHFFFAOYSA-N 0 0 244.334 3.690 20 30 BHEDRN CCCCCCCOC(=O)[C@@H](C)C(F)(F)F ZINC000744046659 585142655 /nfs/dbraw/zinc/14/26/55/585142655.db2.gz CYANMTGFRSDUFS-SECBINFHSA-N 0 0 240.265 3.698 20 30 BHEDRN CCCCCCCOC(=O)[C@H](C)C(F)(F)F ZINC000744046660 585142591 /nfs/dbraw/zinc/14/25/91/585142591.db2.gz CYANMTGFRSDUFS-VIFPVBQESA-N 0 0 240.265 3.698 20 30 BHEDRN CCCCCCCOC(=O)[C@H]1Cc2ccccc21 ZINC000744046744 585142695 /nfs/dbraw/zinc/14/26/95/585142695.db2.gz HBCPUUNWUMWLCW-HNNXBMFYSA-N 0 0 246.350 3.840 20 30 BHEDRN CCCCCCCOC(=O)[C@@H]1Cc2ccccc21 ZINC000744046745 585142723 /nfs/dbraw/zinc/14/27/23/585142723.db2.gz HBCPUUNWUMWLCW-OAHLLOKOSA-N 0 0 246.350 3.840 20 30 BHEDRN CCCCCCCOC(=O)[C@H](C)c1ccco1 ZINC000744046747 585142589 /nfs/dbraw/zinc/14/25/89/585142589.db2.gz HFMOVHDFHMGSFN-GFCCVEGCSA-N 0 0 238.327 3.897 20 30 BHEDRN CCCCCCCOC(=O)[C@@H](C)c1ccco1 ZINC000744046748 585142623 /nfs/dbraw/zinc/14/26/23/585142623.db2.gz HFMOVHDFHMGSFN-LBPRGKRZSA-N 0 0 238.327 3.897 20 30 BHEDRN CCCCCCCOC(=O)CC1CCC1 ZINC000744046779 585142887 /nfs/dbraw/zinc/14/28/87/585142887.db2.gz IOZHCXVEZZBHNC-UHFFFAOYSA-N 0 0 212.333 3.690 20 30 BHEDRN CCCCCCCOC(=O)CCC(F)(F)F ZINC000744046793 585142808 /nfs/dbraw/zinc/14/28/08/585142808.db2.gz JJWVKWJRKZGHPD-UHFFFAOYSA-N 0 0 240.265 3.843 20 30 BHEDRN C=CCCOC(=O)[C@H](C)CCCCCC ZINC000744048809 585142849 /nfs/dbraw/zinc/14/28/49/585142849.db2.gz CFLLNLDOUVSZTK-GFCCVEGCSA-N 0 0 212.333 3.712 20 30 BHEDRN C=CCCOC(=O)[C@@H](C)CCCCCC ZINC000744048810 585142909 /nfs/dbraw/zinc/14/29/09/585142909.db2.gz CFLLNLDOUVSZTK-LBPRGKRZSA-N 0 0 212.333 3.712 20 30 BHEDRN C=CCCOC(=O)/C=C(/CC)c1ccc(C)cc1 ZINC000744049163 585142938 /nfs/dbraw/zinc/14/29/38/585142938.db2.gz KLBKNIPSFRESQO-OWBHPGMISA-N 0 0 244.334 3.908 20 30 BHEDRN C=CCCOC(=O)/C=C(\CC)c1ccc(C)cc1 ZINC000744049165 585142796 /nfs/dbraw/zinc/14/27/96/585142796.db2.gz KLBKNIPSFRESQO-WYMLVPIESA-N 0 0 244.334 3.908 20 30 BHEDRN C=CCCOC(=O)C[C@H](C)CCCCC ZINC000744049293 585142877 /nfs/dbraw/zinc/14/28/77/585142877.db2.gz MEEVJWCAEPNZOS-GFCCVEGCSA-N 0 0 212.333 3.712 20 30 BHEDRN C=CCCOC(=O)C[C@@H](C)CCCCC ZINC000744049294 585142834 /nfs/dbraw/zinc/14/28/34/585142834.db2.gz MEEVJWCAEPNZOS-LBPRGKRZSA-N 0 0 212.333 3.712 20 30 BHEDRN C=CCCOC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000744049512 585142774 /nfs/dbraw/zinc/14/27/74/585142774.db2.gz RGQRJOQLSIHFOC-JTQLQIEISA-N 0 0 238.714 3.563 20 30 BHEDRN C=CCCOC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000744049513 585142919 /nfs/dbraw/zinc/14/29/19/585142919.db2.gz RGQRJOQLSIHFOC-SNVBAGLBSA-N 0 0 238.714 3.563 20 30 BHEDRN C=CCCOC(=O)C(CC)(CC)c1ccccc1 ZINC000744049560 585142861 /nfs/dbraw/zinc/14/28/61/585142861.db2.gz UDXKQDSWADWBQI-UHFFFAOYSA-N 0 0 246.350 3.864 20 30 BHEDRN C=CCCOC(=O)[C@H](c1ccccc1)C(C)C ZINC000744049808 585142912 /nfs/dbraw/zinc/14/29/12/585142912.db2.gz YOXFUTRMFYONTO-AWEZNQCLSA-N 0 0 232.323 3.546 20 30 BHEDRN C=CCCOC(=O)[C@@H](c1ccccc1)C(C)C ZINC000744049809 585142946 /nfs/dbraw/zinc/14/29/46/585142946.db2.gz YOXFUTRMFYONTO-CQSZACIVSA-N 0 0 232.323 3.546 20 30 BHEDRN C#CCCCOC(=O)[C@H](C)CCCCCC ZINC000744049884 585142795 /nfs/dbraw/zinc/14/27/95/585142795.db2.gz UJSDEKXPTTVRJS-CYBMUJFWSA-N 0 0 224.344 3.550 20 30 BHEDRN C#CCCCOC(=O)[C@@H](C)CCCCCC ZINC000744049885 585142833 /nfs/dbraw/zinc/14/28/33/585142833.db2.gz UJSDEKXPTTVRJS-ZDUSSCGKSA-N 0 0 224.344 3.550 20 30 BHEDRN C#CCCCOC(=O)C[C@H](C)CCCCC ZINC000744050140 585142807 /nfs/dbraw/zinc/14/28/07/585142807.db2.gz YCBPKZYUTXXRPE-CYBMUJFWSA-N 0 0 224.344 3.550 20 30 BHEDRN C#CCCCOC(=O)C[C@@H](C)CCCCC ZINC000744050141 585142781 /nfs/dbraw/zinc/14/27/81/585142781.db2.gz YCBPKZYUTXXRPE-ZDUSSCGKSA-N 0 0 224.344 3.550 20 30 BHEDRN CCC[C@@H](C)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000744099809 585144007 /nfs/dbraw/zinc/14/40/07/585144007.db2.gz CCVUMYIHRPKUJJ-NEPJUHHUSA-N 0 0 245.322 3.599 20 30 BHEDRN CCC[C@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000744099810 585144097 /nfs/dbraw/zinc/14/40/97/585144097.db2.gz CCVUMYIHRPKUJJ-NWDGAFQWSA-N 0 0 245.322 3.599 20 30 BHEDRN CCC[C@H](C)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000744099811 585144068 /nfs/dbraw/zinc/14/40/68/585144068.db2.gz CCVUMYIHRPKUJJ-RYUDHWBXSA-N 0 0 245.322 3.599 20 30 BHEDRN CCC[C@@H](C)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000744099813 585144056 /nfs/dbraw/zinc/14/40/56/585144056.db2.gz CCVUMYIHRPKUJJ-VXGBXAGGSA-N 0 0 245.322 3.599 20 30 BHEDRN N#CCCCCOC(=O)C1CCCCCCC1 ZINC000744138769 585144397 /nfs/dbraw/zinc/14/43/97/585144397.db2.gz FAQZQZJTAILQOJ-UHFFFAOYSA-N 0 0 237.343 3.584 20 30 BHEDRN N#CCCCCOC(=O)CCCC1CCCC1 ZINC000744140701 585144730 /nfs/dbraw/zinc/14/47/30/585144730.db2.gz MGNWOBGBFSWRHQ-UHFFFAOYSA-N 0 0 237.343 3.584 20 30 BHEDRN C#C[C@@H](C)OC(=O)C[C@H](C)CCCCCC ZINC000744177814 585145190 /nfs/dbraw/zinc/14/51/90/585145190.db2.gz BAKALLHUNFNMFI-CHWSQXEVSA-N 0 0 224.344 3.548 20 30 BHEDRN C#C[C@H](C)OC(=O)C[C@H](C)CCCCCC ZINC000744177815 585145308 /nfs/dbraw/zinc/14/53/08/585145308.db2.gz BAKALLHUNFNMFI-OLZOCXBDSA-N 0 0 224.344 3.548 20 30 BHEDRN C#C[C@@H](C)OC(=O)C[C@@H](C)CCCCCC ZINC000744177816 585145314 /nfs/dbraw/zinc/14/53/14/585145314.db2.gz BAKALLHUNFNMFI-QWHCGFSZSA-N 0 0 224.344 3.548 20 30 BHEDRN C#C[C@H](C)OC(=O)C[C@@H](C)CCCCCC ZINC000744177817 585145395 /nfs/dbraw/zinc/14/53/95/585145395.db2.gz BAKALLHUNFNMFI-STQMWFEESA-N 0 0 224.344 3.548 20 30 BHEDRN C#C[C@@H](C)OC(=O)[C@H](CC)CCCCCC ZINC000744178337 632507951 /nfs/dbraw/zinc/50/79/51/632507951.db2.gz ADSLZTZCJMXEQN-CHWSQXEVSA-N 0 0 224.344 3.548 20 30 BHEDRN C#C[C@@H](C)OC(=O)[C@@H](CC)CCCCCC ZINC000744178339 632508395 /nfs/dbraw/zinc/50/83/95/632508395.db2.gz ADSLZTZCJMXEQN-OLZOCXBDSA-N 0 0 224.344 3.548 20 30 BHEDRN C#C[C@H](C)OC(=O)[C@H](CC)CCCCCC ZINC000744178342 632507083 /nfs/dbraw/zinc/50/70/83/632507083.db2.gz ADSLZTZCJMXEQN-QWHCGFSZSA-N 0 0 224.344 3.548 20 30 BHEDRN C#C[C@H](C)OC(=O)[C@@H](CC)CCCCCC ZINC000744178344 632508409 /nfs/dbraw/zinc/50/84/09/632508409.db2.gz ADSLZTZCJMXEQN-STQMWFEESA-N 0 0 224.344 3.548 20 30 BHEDRN C#C[C@H](C)OC(=O)[C@H](CCC)CC1CCCC1 ZINC000744179559 582871095 /nfs/dbraw/zinc/87/10/95/582871095.db2.gz GDDGXBHXXCAXGC-GXTWGEPZSA-N 0 0 236.355 3.548 20 30 BHEDRN C#C[C@H](C)OC(=O)[C@@H](CCC)CC1CCCC1 ZINC000744179560 582870942 /nfs/dbraw/zinc/87/09/42/582870942.db2.gz GDDGXBHXXCAXGC-JSGCOSHPSA-N 0 0 236.355 3.548 20 30 BHEDRN C#C[C@@H](C)OC(=O)[C@@H](CCC)CC1CCCC1 ZINC000744179561 582870859 /nfs/dbraw/zinc/87/08/59/582870859.db2.gz GDDGXBHXXCAXGC-OCCSQVGLSA-N 0 0 236.355 3.548 20 30 BHEDRN C#C[C@@H](C)OC(=O)[C@H](CCC)CC1CCCC1 ZINC000744179562 582870868 /nfs/dbraw/zinc/87/08/68/582870868.db2.gz GDDGXBHXXCAXGC-TZMCWYRMSA-N 0 0 236.355 3.548 20 30 BHEDRN C#C[C@H](C)OC(=O)C1CCC(CCCC)CC1 ZINC000744179587 585145031 /nfs/dbraw/zinc/14/50/31/585145031.db2.gz ICMXHWNNGWZVDI-HSBZDZAISA-N 0 0 236.355 3.548 20 30 BHEDRN C#C[C@@H](C)OC(=O)C1CCC(CCCC)CC1 ZINC000744179588 585145166 /nfs/dbraw/zinc/14/51/66/585145166.db2.gz ICMXHWNNGWZVDI-IYXRBSQSSA-N 0 0 236.355 3.548 20 30 BHEDRN C#C[C@H](C)OC(=O)[C@H](CC)CC1CCCCC1 ZINC000744180677 582870919 /nfs/dbraw/zinc/87/09/19/582870919.db2.gz SZTFNBKGBFPBBN-GXTWGEPZSA-N 0 0 236.355 3.548 20 30 BHEDRN C#C[C@H](C)OC(=O)[C@@H](CC)CC1CCCCC1 ZINC000744180678 582870980 /nfs/dbraw/zinc/87/09/80/582870980.db2.gz SZTFNBKGBFPBBN-JSGCOSHPSA-N 0 0 236.355 3.548 20 30 BHEDRN C#C[C@@H](C)OC(=O)[C@@H](CC)CC1CCCCC1 ZINC000744180679 582871112 /nfs/dbraw/zinc/87/11/12/582871112.db2.gz SZTFNBKGBFPBBN-OCCSQVGLSA-N 0 0 236.355 3.548 20 30 BHEDRN C#C[C@@H](C)OC(=O)[C@H](CC)CC1CCCCC1 ZINC000744180680 582871339 /nfs/dbraw/zinc/87/13/39/582871339.db2.gz SZTFNBKGBFPBBN-TZMCWYRMSA-N 0 0 236.355 3.548 20 30 BHEDRN CCCCCC(=O)OCCC#Cc1ccccc1 ZINC000744187827 585145601 /nfs/dbraw/zinc/14/56/01/585145601.db2.gz WJOPIGWSPGXKSU-UHFFFAOYSA-N 0 0 244.334 3.552 20 30 BHEDRN CCCCCCCC(=O)OCC1CCC1 ZINC000744197970 632522273 /nfs/dbraw/zinc/52/22/73/632522273.db2.gz BSHRAIIADIJLMA-UHFFFAOYSA-N 0 0 212.333 3.690 20 30 BHEDRN C=CCCC(=O)O[C@@H](CC)Cc1ccc(C)cc1 ZINC000744259412 585146996 /nfs/dbraw/zinc/14/69/96/585146996.db2.gz HVGDQQNAWJIQAY-HNNXBMFYSA-N 0 0 246.350 3.826 20 30 BHEDRN C=CCCC(=O)O[C@H](CC)Cc1ccc(C)cc1 ZINC000744259413 585146881 /nfs/dbraw/zinc/14/68/81/585146881.db2.gz HVGDQQNAWJIQAY-OAHLLOKOSA-N 0 0 246.350 3.826 20 30 BHEDRN CCCCCCCC(=O)OCCC1CC1 ZINC000744286400 582893251 /nfs/dbraw/zinc/89/32/51/582893251.db2.gz KTCFVWKIXQHPHG-UHFFFAOYSA-N 0 0 212.333 3.690 20 30 BHEDRN C=C(C)CCOC(=O)c1sccc1C(C)C ZINC000744299451 585147627 /nfs/dbraw/zinc/14/76/27/585147627.db2.gz ANHICERQWHXZHH-UHFFFAOYSA-N 0 0 238.352 3.995 20 30 BHEDRN C=C(C)CCOC(=O)c1cc2occc2s1 ZINC000744299495 585147548 /nfs/dbraw/zinc/14/75/48/585147548.db2.gz DFABRGJRAOPAIZ-UHFFFAOYSA-N 0 0 236.292 3.617 20 30 BHEDRN C=C(C)CCOC(=O)C=C1CCC(C)CC1 ZINC000744299499 585147620 /nfs/dbraw/zinc/14/76/20/585147620.db2.gz DIQPUDNAOYXXQT-UHFFFAOYSA-N 0 0 222.328 3.632 20 30 BHEDRN C=C(C)CCOC(=O)/C=C/C1CCCCC1 ZINC000744299566 585147610 /nfs/dbraw/zinc/14/76/10/585147610.db2.gz HLTCUKSLHUFCEI-CMDGGOBGSA-N 0 0 222.328 3.632 20 30 BHEDRN C=C(C)CCOC(=O)/C=C\C1CCCCC1 ZINC000744299567 585147518 /nfs/dbraw/zinc/14/75/18/585147518.db2.gz HLTCUKSLHUFCEI-HJWRWDBZSA-N 0 0 222.328 3.632 20 30 BHEDRN C=C(C)CCOC(=O)[C@@H](CC)c1ccccc1 ZINC000744299585 582894365 /nfs/dbraw/zinc/89/43/65/582894365.db2.gz HTHOOMQDARVFIY-AWEZNQCLSA-N 0 0 232.323 3.690 20 30 BHEDRN C=C(C)CCOC(=O)[C@H](CC)c1ccccc1 ZINC000744299589 582894276 /nfs/dbraw/zinc/89/42/76/582894276.db2.gz HTHOOMQDARVFIY-CQSZACIVSA-N 0 0 232.323 3.690 20 30 BHEDRN C=C(C)CCOC(=O)c1c(F)cccc1Cl ZINC000744299663 585147546 /nfs/dbraw/zinc/14/75/46/585147546.db2.gz JRTVEJNKDSKEJV-UHFFFAOYSA-N 0 0 242.677 3.602 20 30 BHEDRN C=C(C)CCOC(=O)CCc1ccc(C)cc1C ZINC000744300001 582894154 /nfs/dbraw/zinc/89/41/54/582894154.db2.gz OIKMSJLGUXSFCW-UHFFFAOYSA-N 0 0 246.350 3.745 20 30 BHEDRN C=C(C)CCOC(=O)/C=C(/CC)c1ccccc1 ZINC000744300047 585147537 /nfs/dbraw/zinc/14/75/37/585147537.db2.gz PQCGWPQZMFYRRE-OWBHPGMISA-N 0 0 244.334 3.989 20 30 BHEDRN C=C(C)CCOC(=O)/C=C(\CC)c1ccccc1 ZINC000744300048 585147470 /nfs/dbraw/zinc/14/74/70/585147470.db2.gz PQCGWPQZMFYRRE-WYMLVPIESA-N 0 0 244.334 3.989 20 30 BHEDRN C=C(C)CCOC(=O)/C=C(\C)c1cccc(F)c1 ZINC000744300142 585147523 /nfs/dbraw/zinc/14/75/23/585147523.db2.gz QGDVJDDFNADFPR-FMIVXFBMSA-N 0 0 248.297 3.738 20 30 BHEDRN C=C(C)CCOC(=O)/C=C(/C)c1cccc(F)c1 ZINC000744300143 585147458 /nfs/dbraw/zinc/14/74/58/585147458.db2.gz QGDVJDDFNADFPR-XFXZXTDPSA-N 0 0 248.297 3.738 20 30 BHEDRN C=C(C)CCOC(=O)C1CCCCCCC1 ZINC000744300198 585147555 /nfs/dbraw/zinc/14/75/55/585147555.db2.gz RUTGGFYQLKYKRV-UHFFFAOYSA-N 0 0 224.344 3.856 20 30 BHEDRN C=C(C)CCOC(=O)C[C@H](C)CC(C)C ZINC000744300208 585147638 /nfs/dbraw/zinc/14/76/38/585147638.db2.gz SAFPQIQRARRFCP-GFCCVEGCSA-N 0 0 212.333 3.568 20 30 BHEDRN C=C(C)CCOC(=O)C[C@@H](C)CC(C)C ZINC000744300209 585147539 /nfs/dbraw/zinc/14/75/39/585147539.db2.gz SAFPQIQRARRFCP-LBPRGKRZSA-N 0 0 212.333 3.568 20 30 BHEDRN C=C(C)CCOC(=O)[C@@H](CC)Cc1ccccc1 ZINC000744300246 585147454 /nfs/dbraw/zinc/14/74/54/585147454.db2.gz UDDFBKFKJNXUCK-HNNXBMFYSA-N 0 0 246.350 3.765 20 30 BHEDRN C=C(C)CCOC(=O)[C@H](CC)Cc1ccccc1 ZINC000744300247 585147527 /nfs/dbraw/zinc/14/75/27/585147527.db2.gz UDDFBKFKJNXUCK-OAHLLOKOSA-N 0 0 246.350 3.765 20 30 BHEDRN C=C(C)CCOC(=O)c1cccc(OCCC)c1 ZINC000744300249 585147572 /nfs/dbraw/zinc/14/75/72/585147572.db2.gz UKONHOAMAOUSKI-UHFFFAOYSA-N 0 0 248.322 3.598 20 30 BHEDRN C=C(C)CCOC(=O)c1cccc(C(F)F)c1 ZINC000744300255 585147623 /nfs/dbraw/zinc/14/76/23/585147623.db2.gz UOQKSFKPPNZNOS-UHFFFAOYSA-N 0 0 240.249 3.747 20 30 BHEDRN C=C(C)CCOC(=O)c1ccc(SC)cc1 ZINC000744302818 585147475 /nfs/dbraw/zinc/14/74/75/585147475.db2.gz ANKZTQBVRHHBEJ-UHFFFAOYSA-N 0 0 236.336 3.532 20 30 BHEDRN C=C(C)CCOC(=O)c1coc2ccccc12 ZINC000744302918 585147541 /nfs/dbraw/zinc/14/75/41/585147541.db2.gz HMRSNIBUXUBWET-UHFFFAOYSA-N 0 0 230.263 3.556 20 30 BHEDRN C=C(C)CCOC(=O)CC(C)(C)c1ccccc1 ZINC000744302924 585147480 /nfs/dbraw/zinc/14/74/80/585147480.db2.gz HXPVUCUVAUFNMZ-UHFFFAOYSA-N 0 0 246.350 3.864 20 30 BHEDRN C=C(C)CCOC(=O)c1cc2ccccc2o1 ZINC000744303028 585147717 /nfs/dbraw/zinc/14/77/17/585147717.db2.gz LKFOUZUSWIOKAL-UHFFFAOYSA-N 0 0 230.263 3.556 20 30 BHEDRN C=C(C)CCOC(=O)[C@H](C)c1cccc(C)c1 ZINC000744303032 585147665 /nfs/dbraw/zinc/14/76/65/585147665.db2.gz LNDPRWYUJVVWAV-CYBMUJFWSA-N 0 0 232.323 3.608 20 30 BHEDRN C=C(C)CCOC(=O)[C@@H](C)c1cccc(C)c1 ZINC000744303034 585147741 /nfs/dbraw/zinc/14/77/41/585147741.db2.gz LNDPRWYUJVVWAV-ZDUSSCGKSA-N 0 0 232.323 3.608 20 30 BHEDRN C=C(C)CCOC(=O)[C@H](CC)CCCC ZINC000744303121 585147663 /nfs/dbraw/zinc/14/76/63/585147663.db2.gz MNMPSUGQNGDKQP-GFCCVEGCSA-N 0 0 212.333 3.712 20 30 BHEDRN C=C(C)CCOC(=O)[C@@H](CC)CCCC ZINC000744303122 585147687 /nfs/dbraw/zinc/14/76/87/585147687.db2.gz MNMPSUGQNGDKQP-LBPRGKRZSA-N 0 0 212.333 3.712 20 30 BHEDRN C=C(C)CCOC(=O)c1ccc(C(F)F)cc1 ZINC000744303126 585147655 /nfs/dbraw/zinc/14/76/55/585147655.db2.gz 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Cc1cc(F)ccc1NN=Cc1ccccc1F ZINC000750939144 585222519 /nfs/dbraw/zinc/22/25/19/585222519.db2.gz VUASZBMTKNQSIJ-UHFFFAOYSA-N 0 0 246.260 3.719 20 30 BHEDRN CC[C@@H](C)C(C)N=Nc1ccc(F)cc1C ZINC000750939169 585222497 /nfs/dbraw/zinc/22/24/97/585222497.db2.gz XEFBYMGRMQPPOY-SECBINFHSA-N 0 0 222.307 3.968 20 30 BHEDRN CC[C@H](C)C(C)N=Nc1ccc(F)cc1C ZINC000750939170 585222514 /nfs/dbraw/zinc/22/25/14/585222514.db2.gz XEFBYMGRMQPPOY-VIFPVBQESA-N 0 0 222.307 3.968 20 30 BHEDRN CCc1ccc(C=NNc2ccc(F)cc2C)o1 ZINC000750939273 585222590 /nfs/dbraw/zinc/22/25/90/585222590.db2.gz YRUSLOUEOHEBBV-UHFFFAOYSA-N 0 0 246.285 3.736 20 30 BHEDRN Cc1cc(F)ccc1N=NC[C@@H]1CC=CCC1 ZINC000750939283 585222531 /nfs/dbraw/zinc/22/25/31/585222531.db2.gz YZJYYUVWCRGJHW-GFCCVEGCSA-N 0 0 232.302 3.888 20 30 BHEDRN Cc1cc(F)ccc1N=NC[C@H]1CC=CCC1 ZINC000750939285 585222566 /nfs/dbraw/zinc/22/25/66/585222566.db2.gz YZJYYUVWCRGJHW-LBPRGKRZSA-N 0 0 232.302 3.888 20 30 BHEDRN CC(=NNc1ccc(F)cc1C)c1ccc(C)o1 ZINC000750939303 585222536 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CC(C)=C(C)C(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000751118020 585224239 /nfs/dbraw/zinc/22/42/39/585224239.db2.gz MTJMCURWWSQUGK-UHFFFAOYSA-N 0 0 248.713 3.506 20 30 BHEDRN C[C@@H]1Cc2ccccc2C1=NNc1ccccc1 ZINC000751127282 585224607 /nfs/dbraw/zinc/22/46/07/585224607.db2.gz KNWXFJPSPLICQC-GFCCVEGCSA-N 0 0 236.318 3.695 20 30 BHEDRN C[C@H]1Cc2ccccc2C1=NNc1ccccc1 ZINC000751127284 585224590 /nfs/dbraw/zinc/22/45/90/585224590.db2.gz KNWXFJPSPLICQC-LBPRGKRZSA-N 0 0 236.318 3.695 20 30 BHEDRN CCON=C(C)Cc1ccc(C(F)(F)F)cc1 ZINC000751131390 583872061 /nfs/dbraw/zinc/87/20/61/583872061.db2.gz UWLFLVNEEVZWOW-UHFFFAOYSA-N 0 0 245.244 3.660 20 30 BHEDRN CCC(CC)NN=Cc1ccccc1C1CC1 ZINC000751133638 585224533 /nfs/dbraw/zinc/22/45/33/585224533.db2.gz QUEGVCVRWREDAF-UHFFFAOYSA-N 0 0 230.355 3.676 20 30 BHEDRN CC(C)CCCCCC(=O)O[C@H](C#N)C(C)C ZINC000751158411 585224905 /nfs/dbraw/zinc/22/49/05/585224905.db2.gz YXGDEKMARGWGAI-CYBMUJFWSA-N 0 0 239.359 3.684 20 30 BHEDRN CC(C)CCCCCC(=O)O[C@@H](C#N)C(C)C ZINC000751158413 585224924 /nfs/dbraw/zinc/22/49/24/585224924.db2.gz YXGDEKMARGWGAI-ZDUSSCGKSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCCC[C@@H](C)CC(=O)O[C@H](C#N)C(C)C ZINC000751160308 585224964 /nfs/dbraw/zinc/22/49/64/585224964.db2.gz FEWTTXUBQIZUFB-CHWSQXEVSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCCC[C@@H](C)CC(=O)O[C@@H](C#N)C(C)C ZINC000751160309 585224984 /nfs/dbraw/zinc/22/49/84/585224984.db2.gz FEWTTXUBQIZUFB-OLZOCXBDSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCCC[C@H](C)CC(=O)O[C@H](C#N)C(C)C ZINC000751160310 585224962 /nfs/dbraw/zinc/22/49/62/585224962.db2.gz FEWTTXUBQIZUFB-QWHCGFSZSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCCC[C@H](C)CC(=O)O[C@@H](C#N)C(C)C ZINC000751160311 585224958 /nfs/dbraw/zinc/22/49/58/585224958.db2.gz FEWTTXUBQIZUFB-STQMWFEESA-N 0 0 239.359 3.684 20 30 BHEDRN CC(C)[C@H](C#N)OC(=O)C[C@@H](C)CC(C)(C)C ZINC000751161360 585225051 /nfs/dbraw/zinc/22/50/51/585225051.db2.gz RGPJFRLRSUNORR-NEPJUHHUSA-N 0 0 239.359 3.540 20 30 BHEDRN CC(C)[C@@H](C#N)OC(=O)C[C@H](C)CC(C)(C)C ZINC000751161362 585224894 /nfs/dbraw/zinc/22/48/94/585224894.db2.gz RGPJFRLRSUNORR-NWDGAFQWSA-N 0 0 239.359 3.540 20 30 BHEDRN CC(C)[C@H](C#N)OC(=O)C[C@H](C)CC(C)(C)C ZINC000751161364 585224946 /nfs/dbraw/zinc/22/49/46/585224946.db2.gz RGPJFRLRSUNORR-RYUDHWBXSA-N 0 0 239.359 3.540 20 30 BHEDRN CC(C)[C@@H](C#N)OC(=O)C[C@@H](C)CC(C)(C)C ZINC000751161365 585224934 /nfs/dbraw/zinc/22/49/34/585224934.db2.gz RGPJFRLRSUNORR-VXGBXAGGSA-N 0 0 239.359 3.540 20 30 BHEDRN CC(C)c1ccc(C(=O)O[C@@H](C#N)C(C)C)cc1 ZINC000751161769 583879379 /nfs/dbraw/zinc/87/93/79/583879379.db2.gz YCTQASVDOCFGIF-AWEZNQCLSA-N 0 0 245.322 3.515 20 30 BHEDRN CC(C)c1ccc(C(=O)O[C@H](C#N)C(C)C)cc1 ZINC000751161770 583879320 /nfs/dbraw/zinc/87/93/20/583879320.db2.gz YCTQASVDOCFGIF-CQSZACIVSA-N 0 0 245.322 3.515 20 30 BHEDRN C=CCN(Cc1ccccc1)C(=O)C(C)=C(C)C ZINC000751191777 583881414 /nfs/dbraw/zinc/88/14/14/583881414.db2.gz VVPPIJCWJFDXDO-UHFFFAOYSA-N 0 0 243.350 3.558 20 30 BHEDRN C/C=C(/C)C(=O)NCCCCCCCCC ZINC000751323476 585226791 /nfs/dbraw/zinc/22/67/91/585226791.db2.gz QVMCWRBGDCDTBD-ACAGNQJTSA-N 0 0 225.376 3.819 20 30 BHEDRN C/C=C(\C)C(=O)NCCCCCCCCC ZINC000751323477 585226687 /nfs/dbraw/zinc/22/66/87/585226687.db2.gz QVMCWRBGDCDTBD-WLRTZDKTSA-N 0 0 225.376 3.819 20 30 BHEDRN C=CCOc1cccc(NC(=O)C(C)=C(C)C)c1 ZINC000751359678 585227261 /nfs/dbraw/zinc/22/72/61/585227261.db2.gz AZGJDHRXNNPQPL-UHFFFAOYSA-N 0 0 245.322 3.546 20 30 BHEDRN C=CCN(CC1CCCCC1)C(=O)C(C)=C(C)C ZINC000751377931 585228281 /nfs/dbraw/zinc/22/82/81/585228281.db2.gz BDFMOVMLDUCVED-UHFFFAOYSA-N 0 0 249.398 3.938 20 30 BHEDRN C=CCN(CC1CCCCC1)C(=O)/C(C)=C\C ZINC000751379061 585228462 /nfs/dbraw/zinc/22/84/62/585228462.db2.gz OWXFFLBZPIRTSD-ACAGNQJTSA-N 0 0 235.371 3.548 20 30 BHEDRN C=CCN(CC1CCCCC1)C(=O)/C(C)=C/C ZINC000751379392 585228407 /nfs/dbraw/zinc/22/84/07/585228407.db2.gz OWXFFLBZPIRTSD-WLRTZDKTSA-N 0 0 235.371 3.548 20 30 BHEDRN C=CCCCCCN(C)C(=O)C(C)=C(C)C ZINC000751389278 585229340 /nfs/dbraw/zinc/22/93/40/585229340.db2.gz ZSRAWFYKFICGQS-UHFFFAOYSA-N 0 0 223.360 3.548 20 30 BHEDRN C=CCOc1ccc(OC(=O)C(C)=C(C)C)cc1 ZINC000751401893 585229663 /nfs/dbraw/zinc/22/96/63/585229663.db2.gz DTXOURICABVSQY-UHFFFAOYSA-N 0 0 246.306 3.513 20 30 BHEDRN Cc1ccc(C)c(N=NC(C)C[C@@H]2CCOC2)c1 ZINC000751519627 585231309 /nfs/dbraw/zinc/23/13/09/585231309.db2.gz AKYFLWOASCTALO-AWEZNQCLSA-N 0 0 246.354 3.518 20 30 BHEDRN Cc1ccc(C)c(N=NC(C)C[C@H]2CCOC2)c1 ZINC000751519645 585231269 /nfs/dbraw/zinc/23/12/69/585231269.db2.gz AKYFLWOASCTALO-CQSZACIVSA-N 0 0 246.354 3.518 20 30 BHEDRN CCC1(C)CCC(N=Nc2ccccn2)CC1 ZINC000751522683 585231769 /nfs/dbraw/zinc/23/17/69/585231769.db2.gz QYPDCHMXSNBUCD-UHFFFAOYSA-N 0 0 231.343 3.840 20 30 BHEDRN Cc1cc(C)cc(N=NC(C)C[C@@H]2CCOC2)c1 ZINC000751523245 585231678 /nfs/dbraw/zinc/23/16/78/585231678.db2.gz XQKRSYJHIYVXEN-AWEZNQCLSA-N 0 0 246.354 3.518 20 30 BHEDRN Cc1cc(C)cc(N=NC(C)C[C@H]2CCOC2)c1 ZINC000751523248 585231599 /nfs/dbraw/zinc/23/15/99/585231599.db2.gz XQKRSYJHIYVXEN-CQSZACIVSA-N 0 0 246.354 3.518 20 30 BHEDRN CCc1ccc(N=Cc2ccccc2O)cc1F ZINC000751524614 585231571 /nfs/dbraw/zinc/23/15/71/585231571.db2.gz XDKZDTQPVGPDTI-UHFFFAOYSA-N 0 0 243.281 3.844 20 30 BHEDRN CCC1(C)CCC(=NNC2CCCC2)CC1 ZINC000751525985 583914491 /nfs/dbraw/zinc/91/44/91/583914491.db2.gz KSEQOBNLNROOTJ-UHFFFAOYSA-N 0 0 222.376 3.865 20 30 BHEDRN CCC1(C)CCC(N=Nc2ccc(C)nn2)CC1 ZINC000751528405 585231874 /nfs/dbraw/zinc/23/18/74/585231874.db2.gz FZLXBGYDLMVQKV-UHFFFAOYSA-N 0 0 246.358 3.543 20 30 BHEDRN CCC1(C)CCC(N=Nc2ccc(F)cn2)CC1 ZINC000751528976 583914579 /nfs/dbraw/zinc/91/45/79/583914579.db2.gz NLYKVUXEJMDKAM-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN CCCCCCCCCNC(=O)/C=C\SC ZINC000751563882 585232740 /nfs/dbraw/zinc/23/27/40/585232740.db2.gz OVQFJKDEDBIERD-BENRWUELSA-N 0 0 243.416 3.730 20 30 BHEDRN CCCCCCCCCNC(=O)/C=C/SC ZINC000751563884 585232720 /nfs/dbraw/zinc/23/27/20/585232720.db2.gz OVQFJKDEDBIERD-ZRDIBKRKSA-N 0 0 243.416 3.730 20 30 BHEDRN C=CCCCSCc1cccnc1Cl ZINC000751602703 585234552 /nfs/dbraw/zinc/23/45/52/585234552.db2.gz JXVYGVBVYBFHDR-UHFFFAOYSA-N 0 0 227.760 3.934 20 30 BHEDRN C=CCCCC(=O)OCCCCC(F)(F)F ZINC000751732081 585235671 /nfs/dbraw/zinc/23/56/71/585235671.db2.gz BPSSCWBBMCIJTA-UHFFFAOYSA-N 0 0 238.249 3.619 20 30 BHEDRN C#CCCSc1nc2ccc(Cl)cc2o1 ZINC000751732082 585235739 /nfs/dbraw/zinc/23/57/39/585235739.db2.gz BUNNOCSQERYEOS-UHFFFAOYSA-N 0 0 237.711 3.597 20 30 BHEDRN C#CCCSc1cccc(C(F)(F)F)c1 ZINC000751732115 585235667 /nfs/dbraw/zinc/23/56/67/585235667.db2.gz DWJFGWCUQWCBTQ-UHFFFAOYSA-N 0 0 230.254 3.821 20 30 BHEDRN C#CCCOc1cc(C(F)(F)F)ccc1Cl ZINC000751754775 585236276 /nfs/dbraw/zinc/23/62/76/585236276.db2.gz GNEMABIHDVHWSX-UHFFFAOYSA-N 0 0 248.631 3.761 20 30 BHEDRN C#CCCOc1ccc(Cl)c(C(F)(F)F)c1 ZINC000751757429 585236362 /nfs/dbraw/zinc/23/63/62/585236362.db2.gz VBWFXTPTWBWATB-UHFFFAOYSA-N 0 0 248.631 3.761 20 30 BHEDRN C#CCCS[C@@H](C)c1ccc(F)cc1 ZINC000751771028 585236651 /nfs/dbraw/zinc/23/66/51/585236651.db2.gz UNHRDQSRRXIHOL-JTQLQIEISA-N 0 0 208.301 3.643 20 30 BHEDRN C#CCCS[C@H](C)c1ccc(F)cc1 ZINC000751771029 585236648 /nfs/dbraw/zinc/23/66/48/585236648.db2.gz UNHRDQSRRXIHOL-SNVBAGLBSA-N 0 0 208.301 3.643 20 30 BHEDRN C#CCCS[C@H]1CCCc2ccccc21 ZINC000751772465 585236610 /nfs/dbraw/zinc/23/66/10/585236610.db2.gz GYSLANJBULXCCV-AWEZNQCLSA-N 0 0 216.349 3.821 20 30 BHEDRN C#CCCS[C@@H]1CCCc2ccccc21 ZINC000751772471 585236449 /nfs/dbraw/zinc/23/64/49/585236449.db2.gz GYSLANJBULXCCV-CQSZACIVSA-N 0 0 216.349 3.821 20 30 BHEDRN C#CCCSc1ncc(C(C)(C)C)s1 ZINC000751784782 585236707 /nfs/dbraw/zinc/23/67/07/585236707.db2.gz CZXJRHXFRMUQHX-UHFFFAOYSA-N 0 0 225.382 3.556 20 30 BHEDRN C#CCCS[C@H](CC)c1ccccc1 ZINC000751786194 585236703 /nfs/dbraw/zinc/23/67/03/585236703.db2.gz KZMZOOPZAYRKIM-CYBMUJFWSA-N 0 0 204.338 3.894 20 30 BHEDRN C#CCCS[C@@H](CC)c1ccccc1 ZINC000751786195 585236712 /nfs/dbraw/zinc/23/67/12/585236712.db2.gz KZMZOOPZAYRKIM-ZDUSSCGKSA-N 0 0 204.338 3.894 20 30 BHEDRN C#CCCS[C@H](C)c1ccccc1OC ZINC000751786293 585236688 /nfs/dbraw/zinc/23/66/88/585236688.db2.gz ZUENJXNQCHJDGP-LLVKDONJSA-N 0 0 220.337 3.513 20 30 BHEDRN C#CCCS[C@@H](C)c1ccccc1OC ZINC000751786299 585236784 /nfs/dbraw/zinc/23/67/84/585236784.db2.gz ZUENJXNQCHJDGP-NSHDSACASA-N 0 0 220.337 3.513 20 30 BHEDRN C#CCCSCc1ccc(C)c(C)c1 ZINC000751786526 585236698 /nfs/dbraw/zinc/23/66/98/585236698.db2.gz OUVBIHVEQDBUJS-UHFFFAOYSA-N 0 0 204.338 3.560 20 30 BHEDRN C#CCCSc1ncc(C(C)C)n1C(C)C ZINC000751786527 585236736 /nfs/dbraw/zinc/23/67/36/585236736.db2.gz VLLYAKRQDMEEAJ-UHFFFAOYSA-N 0 0 236.384 3.703 20 30 BHEDRN C#CCCSCc1cccc(OC(F)F)c1 ZINC000751787112 585236862 /nfs/dbraw/zinc/23/68/62/585236862.db2.gz SNPZBPFWVULGAN-UHFFFAOYSA-N 0 0 242.290 3.545 20 30 BHEDRN CCCCCCCSCC(=O)N(CC)CC ZINC000751804423 585237218 /nfs/dbraw/zinc/23/72/18/585237218.db2.gz GUSUAKNRJTXLSC-UHFFFAOYSA-N 0 0 245.432 3.558 20 30 BHEDRN CC1(C)CCC(=CC(=O)OCCCCC#N)CC1 ZINC000751843001 585237650 /nfs/dbraw/zinc/23/76/50/585237650.db2.gz ILRLWJDCIGQBAB-UHFFFAOYSA-N 0 0 249.354 3.750 20 30 BHEDRN CC1CC(/N=C/c2c(O)ccc3ccccc32)C1 ZINC000751889731 583938084 /nfs/dbraw/zinc/93/80/84/583938084.db2.gz CFVDEYUIFMQJSU-LICLKQGHSA-N 0 0 239.318 3.763 20 30 BHEDRN CC1CC(/N=C\c2c(O)ccc3ccccc32)C1 ZINC000751889754 583938017 /nfs/dbraw/zinc/93/80/17/583938017.db2.gz CFVDEYUIFMQJSU-YVLHZVERSA-N 0 0 239.318 3.763 20 30 BHEDRN C=C1CCN(C(=O)C=C2CCC(C)(C)CC2)CC1 ZINC000751902027 585238757 /nfs/dbraw/zinc/23/87/57/585238757.db2.gz GOXXBCZTYILMLW-UHFFFAOYSA-N 0 0 247.382 3.692 20 30 BHEDRN C/C=C\CON=C(c1ccccc1)C(F)(F)F ZINC000751954450 585239942 /nfs/dbraw/zinc/23/99/42/585239942.db2.gz KEXYQINZJUSBSB-BSUHAUSQSA-N 0 0 243.228 3.546 20 30 BHEDRN C/C=C/CON=C(c1ccccc1)C(F)(F)F ZINC000751954453 585239892 /nfs/dbraw/zinc/23/98/92/585239892.db2.gz KEXYQINZJUSBSB-HARJTZOHSA-N 0 0 243.228 3.546 20 30 BHEDRN CC(C)CON=C(c1ccccc1)C(F)(F)F ZINC000751955170 585239911 /nfs/dbraw/zinc/23/99/11/585239911.db2.gz HTNATWBPKQQGRQ-UHFFFAOYSA-N 0 0 245.244 3.626 20 30 BHEDRN C=C(C)CON=C(c1ccccc1)C(F)(F)F ZINC000751955485 585240000 /nfs/dbraw/zinc/24/00/00/585240000.db2.gz KSGKICVIDIXSPZ-UHFFFAOYSA-N 0 0 243.228 3.546 20 30 BHEDRN CCCCON=C(c1ccccc1)C(F)(F)F ZINC000751955528 585239816 /nfs/dbraw/zinc/23/98/16/585239816.db2.gz LGQHOYYSXSTDSC-UHFFFAOYSA-N 0 0 245.244 3.770 20 30 BHEDRN CC[C@@H](C)ON=C(c1ccccc1)C(F)(F)F ZINC000751956054 585240001 /nfs/dbraw/zinc/24/00/01/585240001.db2.gz MXJMTBMYQXHVIR-SECBINFHSA-N 0 0 245.244 3.768 20 30 BHEDRN CC[C@H](C)ON=C(c1ccccc1)C(F)(F)F ZINC000751956056 585239784 /nfs/dbraw/zinc/23/97/84/585239784.db2.gz MXJMTBMYQXHVIR-VIFPVBQESA-N 0 0 245.244 3.768 20 30 BHEDRN C=CCCON=C(c1ccccc1)C(F)(F)F ZINC000751966620 585240174 /nfs/dbraw/zinc/24/01/74/585240174.db2.gz ZOYGSDVIXHPOTM-UHFFFAOYSA-N 0 0 243.228 3.546 20 30 BHEDRN CCCCCCCCC(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000751967139 585240169 /nfs/dbraw/zinc/24/01/69/585240169.db2.gz AYTQLPBSIXDWKM-KBPBESRZSA-N 0 0 239.403 3.851 20 30 BHEDRN CCCCCCCCC(=O)N1C[C@H](C)[C@H](C)C1 ZINC000751967144 585240149 /nfs/dbraw/zinc/24/01/49/585240149.db2.gz AYTQLPBSIXDWKM-OKILXGFUSA-N 0 0 239.403 3.851 20 30 BHEDRN CCCCCCCCC(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000751967145 585240160 /nfs/dbraw/zinc/24/01/60/585240160.db2.gz AYTQLPBSIXDWKM-ZIAGYGMSSA-N 0 0 239.403 3.851 20 30 BHEDRN C=CC[C@@H](C)NC(=O)C=C1CCC(C)(C)CC1 ZINC000751981301 585240438 /nfs/dbraw/zinc/24/04/38/585240438.db2.gz WZSTWNIYESDXPM-GFCCVEGCSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CC[C@H](C)NC(=O)C=C1CCC(C)(C)CC1 ZINC000751981302 585240264 /nfs/dbraw/zinc/24/02/64/585240264.db2.gz WZSTWNIYESDXPM-LBPRGKRZSA-N 0 0 235.371 3.594 20 30 BHEDRN CCc1ccc(C(C)=NNc2ccc(F)cc2)o1 ZINC000752155721 585242986 /nfs/dbraw/zinc/24/29/86/585242986.db2.gz SAAVOFFSSLLQEI-UHFFFAOYSA-N 0 0 246.285 3.817 20 30 BHEDRN CCc1ccc(C(C)=NNc2ccccc2)o1 ZINC000752156504 585242647 /nfs/dbraw/zinc/24/26/47/585242647.db2.gz AUJCAQRCBNLKAZ-UHFFFAOYSA-N 0 0 228.295 3.678 20 30 BHEDRN CCc1ccc(C(C)=NNc2ccc(C)cc2)o1 ZINC000752157272 585243034 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ODLCQICBTHTYRM-CQSZACIVSA-N 0 0 242.366 3.625 20 30 BHEDRN CCC(CC)NN=C[C@@H]1CCCc2ccccc21 ZINC000752166476 585243271 /nfs/dbraw/zinc/24/32/71/585243271.db2.gz VIUGXKFSRIQYCK-AWEZNQCLSA-N 0 0 244.382 3.871 20 30 BHEDRN CCC(CC)NN=C[C@H]1CCCc2ccccc21 ZINC000752166477 585243246 /nfs/dbraw/zinc/24/32/46/585243246.db2.gz VIUGXKFSRIQYCK-CQSZACIVSA-N 0 0 244.382 3.871 20 30 BHEDRN CCCCCCCC(=O)N[C@H](C)CC(C)C ZINC000752229203 585243778 /nfs/dbraw/zinc/24/37/78/585243778.db2.gz HNLCGIVELRTUSQ-CYBMUJFWSA-N 0 0 227.392 3.898 20 30 BHEDRN CCCCCCCC(=O)N[C@@H](C)CC(C)C ZINC000752229205 585243827 /nfs/dbraw/zinc/24/38/27/585243827.db2.gz HNLCGIVELRTUSQ-ZDUSSCGKSA-N 0 0 227.392 3.898 20 30 BHEDRN C=CCCC(=O)Oc1ccc(CCC)cc1 ZINC000752230363 585243701 /nfs/dbraw/zinc/24/37/01/585243701.db2.gz ZJUFVSYFZZVFEP-UHFFFAOYSA-N 0 0 218.296 3.511 20 30 BHEDRN CCc1ccc(C(=O)/C=C\c2scnc2C)o1 ZINC000752238302 585243745 /nfs/dbraw/zinc/24/37/45/585243745.db2.gz QKCYYCJKCHDMPH-ALCCZGGFSA-N 0 0 247.319 3.503 20 30 BHEDRN 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249.354 3.676 20 30 BHEDRN C#CCNc1cccc(COC(C)(C)CC)c1C ZINC000754312826 585282140 /nfs/dbraw/zinc/28/21/40/585282140.db2.gz GCNNOSZNGKMIKP-UHFFFAOYSA-N 0 0 245.366 3.745 20 30 BHEDRN C#C[C@@H](CC)NC(=O)C[C@@H](C)CCCCCC ZINC000754374249 585283622 /nfs/dbraw/zinc/28/36/22/585283622.db2.gz IWXIXVKTCKTZBZ-KBPBESRZSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@@H](CC)NC(=O)C[C@H](C)CCCCCC ZINC000754374251 585283478 /nfs/dbraw/zinc/28/34/78/585283478.db2.gz IWXIXVKTCKTZBZ-KGLIPLIRSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@H](CC)NC(=O)C[C@@H](C)CCCCCC ZINC000754374254 585283493 /nfs/dbraw/zinc/28/34/93/585283493.db2.gz IWXIXVKTCKTZBZ-UONOGXRCSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@H](CC)NC(=O)C[C@H](C)CCCCCC ZINC000754374256 585283110 /nfs/dbraw/zinc/28/31/10/585283110.db2.gz IWXIXVKTCKTZBZ-ZIAGYGMSSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@@H](CC)NC(=O)[C@H](CC)CC1CCCCC1 ZINC000754389090 585283736 /nfs/dbraw/zinc/28/37/36/585283736.db2.gz UPPMRKTVVYTZQY-CABCVRRESA-N 0 0 249.398 3.511 20 30 BHEDRN C#C[C@@H](CC)NC(=O)[C@@H](CC)CC1CCCCC1 ZINC000754389092 585284028 /nfs/dbraw/zinc/28/40/28/585284028.db2.gz UPPMRKTVVYTZQY-GJZGRUSLSA-N 0 0 249.398 3.511 20 30 BHEDRN C#C[C@H](CC)NC(=O)[C@H](CC)CC1CCCCC1 ZINC000754389093 585283811 /nfs/dbraw/zinc/28/38/11/585283811.db2.gz UPPMRKTVVYTZQY-HUUCEWRRSA-N 0 0 249.398 3.511 20 30 BHEDRN C#C[C@H](CC)NC(=O)[C@@H](CC)CC1CCCCC1 ZINC000754389095 585283709 /nfs/dbraw/zinc/28/37/09/585283709.db2.gz UPPMRKTVVYTZQY-LSDHHAIUSA-N 0 0 249.398 3.511 20 30 BHEDRN C#C[C@@H](CC)NC(=O)[C@@H](CC)CCCCCC ZINC000754390762 585284122 /nfs/dbraw/zinc/28/41/22/585284122.db2.gz UQPGHWSMNJEZPI-KBPBESRZSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@@H](CC)NC(=O)[C@H](CC)CCCCCC ZINC000754390823 585284215 /nfs/dbraw/zinc/28/42/15/585284215.db2.gz UQPGHWSMNJEZPI-KGLIPLIRSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@H](CC)NC(=O)[C@@H](CC)CCCCCC ZINC000754390826 584918853 /nfs/dbraw/zinc/91/88/53/584918853.db2.gz UQPGHWSMNJEZPI-UONOGXRCSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@H](CC)NC(=O)[C@H](CC)CCCCCC ZINC000754390827 584918946 /nfs/dbraw/zinc/91/89/46/584918946.db2.gz UQPGHWSMNJEZPI-ZIAGYGMSSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@@H](CC)NC(=O)[C@](C)(CC)CCCCC ZINC000754394217 585284051 /nfs/dbraw/zinc/28/40/51/585284051.db2.gz SZDXNCAOASHLBF-DZGCQCFKSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@H](CC)NC(=O)[C@@](C)(CC)CCCCC ZINC000754394218 585284174 /nfs/dbraw/zinc/28/41/74/585284174.db2.gz SZDXNCAOASHLBF-HIFRSBDPSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@H](CC)NC(=O)[C@](C)(CC)CCCCC ZINC000754394219 585284078 /nfs/dbraw/zinc/28/40/78/585284078.db2.gz SZDXNCAOASHLBF-UKRRQHHQSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@@H](CC)NC(=O)[C@@](C)(CC)CCCCC ZINC000754394220 585284212 /nfs/dbraw/zinc/28/42/12/585284212.db2.gz SZDXNCAOASHLBF-ZFWWWQNUSA-N 0 0 237.387 3.511 20 30 BHEDRN C=CCN(C(=O)C(C)(C)CCCCC)C1CC1 ZINC000754416451 585284422 /nfs/dbraw/zinc/28/44/22/585284422.db2.gz MTZNCGHMZHGSTI-UHFFFAOYSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCN(C(=O)C(C)(C)C1CCCCC1)C1CC1 ZINC000754417323 585284353 /nfs/dbraw/zinc/28/43/53/585284353.db2.gz GVHZSFGVDNHAEV-UHFFFAOYSA-N 0 0 249.398 3.770 20 30 BHEDRN CCCCCCCCC(=O)N(CC)CC(F)F ZINC000754486851 585285149 /nfs/dbraw/zinc/28/51/49/585285149.db2.gz YRMPIEMCNGXDNX-UHFFFAOYSA-N 0 0 249.345 3.851 20 30 BHEDRN C=C(C)CCOC(=O)CCCSC(C)(C)C ZINC000754547215 585285773 /nfs/dbraw/zinc/28/57/73/585285773.db2.gz PQRZZMIJOMZNLJ-UHFFFAOYSA-N 0 0 244.400 3.808 20 30 BHEDRN C#CCCCCCC(=O)N1CCCC[C@@H]1CCC ZINC000754598809 584925827 /nfs/dbraw/zinc/92/58/27/584925827.db2.gz ZAFLUPJRSUBBSD-HNNXBMFYSA-N 0 0 249.398 3.751 20 30 BHEDRN C#CCCCCCC(=O)N1CCCC[C@H]1CCC ZINC000754598840 584925731 /nfs/dbraw/zinc/92/57/31/584925731.db2.gz ZAFLUPJRSUBBSD-OAHLLOKOSA-N 0 0 249.398 3.751 20 30 BHEDRN CCCCCCCCC(=O)Nc1ncc(C)o1 ZINC000754615743 585288046 /nfs/dbraw/zinc/28/80/46/585288046.db2.gz KVFBWWRSRXVDAP-UHFFFAOYSA-N 0 0 238.331 3.672 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000754633198 585288251 /nfs/dbraw/zinc/28/82/51/585288251.db2.gz WMQMSRZTDMAKNI-QLFBSQMISA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000754633201 585288301 /nfs/dbraw/zinc/28/83/01/585288301.db2.gz WMQMSRZTDMAKNI-RBSFLKMASA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000754633204 585288252 /nfs/dbraw/zinc/28/82/52/585288252.db2.gz WMQMSRZTDMAKNI-RRFJBIMHSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000754633206 585288314 /nfs/dbraw/zinc/28/83/14/585288314.db2.gz WMQMSRZTDMAKNI-SOUVJXGZSA-N 0 0 249.398 3.511 20 30 BHEDRN C=C(C)CNc1ccc2c3c(cccc31)CC2 ZINC000754656597 585288998 /nfs/dbraw/zinc/28/89/98/585288998.db2.gz NLUOVPNSCFKWLE-UHFFFAOYSA-N 0 0 223.319 3.926 20 30 BHEDRN C#C[C@@H](CC)NC(=O)[C@H](CCC)CC1CCCC1 ZINC000754683384 585289597 /nfs/dbraw/zinc/28/95/97/585289597.db2.gz WKTMRFUHJHKMHT-CABCVRRESA-N 0 0 249.398 3.511 20 30 BHEDRN C#C[C@@H](CC)NC(=O)[C@@H](CCC)CC1CCCC1 ZINC000754683385 585289559 /nfs/dbraw/zinc/28/95/59/585289559.db2.gz WKTMRFUHJHKMHT-GJZGRUSLSA-N 0 0 249.398 3.511 20 30 BHEDRN C#C[C@H](CC)NC(=O)[C@H](CCC)CC1CCCC1 ZINC000754683386 585289530 /nfs/dbraw/zinc/28/95/30/585289530.db2.gz WKTMRFUHJHKMHT-HUUCEWRRSA-N 0 0 249.398 3.511 20 30 BHEDRN C#C[C@H](CC)NC(=O)[C@@H](CCC)CC1CCCC1 ZINC000754683412 585289523 /nfs/dbraw/zinc/28/95/23/585289523.db2.gz WKTMRFUHJHKMHT-LSDHHAIUSA-N 0 0 249.398 3.511 20 30 BHEDRN CON=C[C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000754706307 585289729 /nfs/dbraw/zinc/28/97/29/585289729.db2.gz HOBFTCOSQKVKGV-GFCCVEGCSA-N 0 0 233.355 3.795 20 30 BHEDRN CON=C[C@@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000754706308 585289608 /nfs/dbraw/zinc/28/96/08/585289608.db2.gz HOBFTCOSQKVKGV-LBPRGKRZSA-N 0 0 233.355 3.795 20 30 BHEDRN CCC(C)=NOc1ccccc1C(F)(F)F ZINC000754709576 585289700 /nfs/dbraw/zinc/28/97/00/585289700.db2.gz KUXSXAWVUMRRIS-UHFFFAOYSA-N 0 0 231.217 3.870 20 30 BHEDRN C[C@@H]1C[C@H]1C=NOc1ccccc1C(F)(F)F ZINC000754711899 585289641 /nfs/dbraw/zinc/28/96/41/585289641.db2.gz CYIBRZXGZVIIKL-BDAKNGLRSA-N 0 0 243.228 3.726 20 30 BHEDRN C[C@H]1C[C@@H]1C=NOc1ccccc1C(F)(F)F ZINC000754711901 585289777 /nfs/dbraw/zinc/28/97/77/585289777.db2.gz CYIBRZXGZVIIKL-DTWKUNHWSA-N 0 0 243.228 3.726 20 30 BHEDRN C[C@H]1C[C@H]1C=NOc1ccccc1C(F)(F)F ZINC000754711904 585289629 /nfs/dbraw/zinc/28/96/29/585289629.db2.gz CYIBRZXGZVIIKL-IUCAKERBSA-N 0 0 243.228 3.726 20 30 BHEDRN C[C@@H]1C[C@@H]1C=NOc1ccccc1C(F)(F)F ZINC000754711907 585289750 /nfs/dbraw/zinc/28/97/50/585289750.db2.gz CYIBRZXGZVIIKL-RKDXNWHRSA-N 0 0 243.228 3.726 20 30 BHEDRN CCCCCCCS[C@H]1CCO[C@@H]1C ZINC000754724224 585289947 /nfs/dbraw/zinc/28/99/47/585289947.db2.gz RFPMSTZGTLIXIF-NEPJUHHUSA-N 0 0 216.390 3.867 20 30 BHEDRN CCCCCCCS[C@@H]1CCO[C@H]1C ZINC000754724233 585289821 /nfs/dbraw/zinc/28/98/21/585289821.db2.gz RFPMSTZGTLIXIF-NWDGAFQWSA-N 0 0 216.390 3.867 20 30 BHEDRN CCCCCCCS[C@H]1CCO[C@H]1C ZINC000754724235 585290035 /nfs/dbraw/zinc/29/00/35/585290035.db2.gz RFPMSTZGTLIXIF-RYUDHWBXSA-N 0 0 216.390 3.867 20 30 BHEDRN CCCCCCCS[C@@H]1CCO[C@@H]1C ZINC000754724237 585289955 /nfs/dbraw/zinc/28/99/55/585289955.db2.gz RFPMSTZGTLIXIF-VXGBXAGGSA-N 0 0 216.390 3.867 20 30 BHEDRN C[C@@H]([NH2+]CCCC#N)c1csc2ccccc12 ZINC000754744255 585290072 /nfs/dbraw/zinc/29/00/72/585290072.db2.gz SFKYKHPQKCUYAZ-LLVKDONJSA-N 0 0 244.363 3.856 20 30 BHEDRN C[C@H]([NH2+]CCCC#N)c1csc2ccccc12 ZINC000754744257 585290199 /nfs/dbraw/zinc/29/01/99/585290199.db2.gz SFKYKHPQKCUYAZ-NSHDSACASA-N 0 0 244.363 3.856 20 30 BHEDRN C=CCON=Cc1ccc(Cl)c(Cl)c1 ZINC000754778130 585290681 /nfs/dbraw/zinc/29/06/81/585290681.db2.gz DLEHQCAJGDSUPA-UHFFFAOYSA-N 0 0 230.094 3.530 20 30 BHEDRN C=CCON=Cc1cccc(Cl)c1Cl ZINC000754778681 585290705 /nfs/dbraw/zinc/29/07/05/585290705.db2.gz INOMXSFVXBHREE-UHFFFAOYSA-N 0 0 230.094 3.530 20 30 BHEDRN C=CCON=Cc1ccc(Cl)cc1Cl ZINC000754778705 585290561 /nfs/dbraw/zinc/29/05/61/585290561.db2.gz KCNDNZGLWDOQHV-UHFFFAOYSA-N 0 0 230.094 3.530 20 30 BHEDRN CCCCCCCCNC(=O)Nc1ccccn1 ZINC000754778760 585290685 /nfs/dbraw/zinc/29/06/85/585290685.db2.gz OAQQEPYSQBFWAF-UHFFFAOYSA-N 0 0 249.358 3.564 20 30 BHEDRN C=CCCC(=O)OCc1cc2ccccc2s1 ZINC000754809619 644612055 /nfs/dbraw/zinc/61/20/55/644612055.db2.gz UPHBVJYBEJVLNR-UHFFFAOYSA-N 0 0 246.331 3.911 20 30 BHEDRN CCCCCCCCNC(=O)c1ccsc1 ZINC000754840525 585291515 /nfs/dbraw/zinc/29/15/15/585291515.db2.gz CZRKTIUSJCOHQD-UHFFFAOYSA-N 0 0 239.384 3.838 20 30 BHEDRN CCCCCCCCNC(=O)C=C1CCC1 ZINC000754848525 585291423 /nfs/dbraw/zinc/29/14/23/585291423.db2.gz BJUZNAAUMSUXQD-UHFFFAOYSA-N 0 0 223.360 3.573 20 30 BHEDRN CCCCCCCCNC(=O)CC(C)(C)C ZINC000754849216 585291778 /nfs/dbraw/zinc/29/17/78/585291778.db2.gz GZBVLWSJNIOEKO-UHFFFAOYSA-N 0 0 227.392 3.899 20 30 BHEDRN CCCCCCCCNC(=O)C(C)(C)CC ZINC000754849275 585291702 /nfs/dbraw/zinc/29/17/02/585291702.db2.gz IOLURJONVDRKRI-UHFFFAOYSA-N 0 0 227.392 3.899 20 30 BHEDRN CCCCCCCCNC(=O)c1occc1C ZINC000754849277 585291864 /nfs/dbraw/zinc/29/18/64/585291864.db2.gz IPHKZKHLFQGLCN-UHFFFAOYSA-N 0 0 237.343 3.678 20 30 BHEDRN CCCCCCCCNC(=O)C[C@H]1C=CCC1 ZINC000754849764 585291792 /nfs/dbraw/zinc/29/17/92/585291792.db2.gz JYAFPOYKEJGXCR-AWEZNQCLSA-N 0 0 237.387 3.819 20 30 BHEDRN CCCCCCCCNC(=O)C[C@@H]1C=CCC1 ZINC000754849767 585291847 /nfs/dbraw/zinc/29/18/47/585291847.db2.gz JYAFPOYKEJGXCR-CQSZACIVSA-N 0 0 237.387 3.819 20 30 BHEDRN CCCCCCCCNC(=O)[C@H]1CC12CCC2 ZINC000754850362 585291682 /nfs/dbraw/zinc/29/16/82/585291682.db2.gz MQGQQBXKSTXAME-CYBMUJFWSA-N 0 0 237.387 3.653 20 30 BHEDRN CCCCCCCCNC(=O)[C@@H]1CC12CCC2 ZINC000754850364 585291768 /nfs/dbraw/zinc/29/17/68/585291768.db2.gz MQGQQBXKSTXAME-ZDUSSCGKSA-N 0 0 237.387 3.653 20 30 BHEDRN CCCCCCCCNC(=O)CSC(C)C ZINC000754850373 585291767 /nfs/dbraw/zinc/29/17/67/585291767.db2.gz MQPCJMZYODATJM-UHFFFAOYSA-N 0 0 245.432 3.605 20 30 BHEDRN CCCCCCCCNC(=O)CCC(C)(F)F ZINC000754850400 585291706 /nfs/dbraw/zinc/29/17/06/585291706.db2.gz NBAQZGHDTRQHHF-UHFFFAOYSA-N 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222.719 3.928 20 30 BHEDRN Cc1cccc(N=NC(C)CC2CC2)c1 ZINC000756816929 585323696 /nfs/dbraw/zinc/32/36/96/585323696.db2.gz YZZODGCGPHWOGF-UHFFFAOYSA-N 0 0 202.301 3.583 20 30 BHEDRN CC(CC1CC1)N=Nc1ccc2ccccc2n1 ZINC000756820154 585323707 /nfs/dbraw/zinc/32/37/07/585323707.db2.gz KTVPAACGLMKYIB-UHFFFAOYSA-N 0 0 239.322 3.823 20 30 BHEDRN CC(CC1CC1)N=Nc1cccc(Cl)c1 ZINC000756821614 585323794 /nfs/dbraw/zinc/32/37/94/585323794.db2.gz XGKASKBUMUKZBU-UHFFFAOYSA-N 0 0 222.719 3.928 20 30 BHEDRN Cc1cc(C)cc(N=NC(C)CC2CC2)c1 ZINC000756823926 585323772 /nfs/dbraw/zinc/32/37/72/585323772.db2.gz OQZMYNUDGPWWEH-UHFFFAOYSA-N 0 0 216.328 3.891 20 30 BHEDRN COCCC(N=Nc1cc(C)cc(C)c1)C(C)C ZINC000756824421 585323574 /nfs/dbraw/zinc/32/35/74/585323574.db2.gz RGUFHUNHGHSJQK-UHFFFAOYSA-N 0 0 248.370 3.764 20 30 BHEDRN COCCC(N=Nc1cc(C)ccc1C)C(C)C ZINC000756824501 585323763 /nfs/dbraw/zinc/32/37/63/585323763.db2.gz STCXEPSZZPYAJA-UHFFFAOYSA-N 0 0 248.370 3.764 20 30 BHEDRN Cc1ccc(C)c(N=NC(C)CC2CC2)c1 ZINC000756824554 585323666 /nfs/dbraw/zinc/32/36/66/585323666.db2.gz UKOHQHSOEMFGPG-UHFFFAOYSA-N 0 0 216.328 3.891 20 30 BHEDRN CC(CC1CC1)N=Nc1cccc2ncccc12 ZINC000756825226 585324008 /nfs/dbraw/zinc/32/40/08/585324008.db2.gz ARTZUCFPTNKTPW-UHFFFAOYSA-N 0 0 239.322 3.823 20 30 BHEDRN CCc1ccccc1N=NC(CCOC)C(C)C ZINC000756825482 585323984 /nfs/dbraw/zinc/32/39/84/585323984.db2.gz GJQYAEOWCQFDHF-UHFFFAOYSA-N 0 0 248.370 3.709 20 30 BHEDRN CCc1ccccc1N=NC(C)CC1CC1 ZINC000756826013 585323875 /nfs/dbraw/zinc/32/38/75/585323875.db2.gz SAQKLNXMYBMBDS-UHFFFAOYSA-N 0 0 216.328 3.837 20 30 BHEDRN CC(CC1CC1)N=Nc1cccc2cnccc21 ZINC000756826331 585323896 /nfs/dbraw/zinc/32/38/96/585323896.db2.gz GZDRVCGXOALTGB-UHFFFAOYSA-N 0 0 239.322 3.823 20 30 BHEDRN Clc1cccc(CNN=CC2CCCC2)c1 ZINC000756826582 585323965 /nfs/dbraw/zinc/32/39/65/585323965.db2.gz BJDYQEKSFHBSSJ-UHFFFAOYSA-N 0 0 236.746 3.606 20 30 BHEDRN CC(CC1CC1)=NNCc1cccc(Cl)c1 ZINC000756826646 585323934 /nfs/dbraw/zinc/32/39/34/585323934.db2.gz DGDBNKJGMRCCPX-UHFFFAOYSA-N 0 0 236.746 3.606 20 30 BHEDRN CCC(C=NNCc1cccc(Cl)c1)CC ZINC000756827322 585323877 /nfs/dbraw/zinc/32/38/77/585323877.db2.gz NGDKOHNXHUQHGF-UHFFFAOYSA-N 0 0 238.762 3.852 20 30 BHEDRN CC1=CC(=NNCc2cccc(Cl)c2)CC1 ZINC000756827865 585323842 /nfs/dbraw/zinc/32/38/42/585323842.db2.gz RPUIYEMNBZQDIZ-UHFFFAOYSA-N 0 0 234.730 3.526 20 30 BHEDRN CC(CC1CC1)N=Nc1cccc(F)c1F ZINC000756828508 585323840 /nfs/dbraw/zinc/32/38/40/585323840.db2.gz CRZFXIPAMIJAJE-UHFFFAOYSA-N 0 0 224.254 3.553 20 30 BHEDRN CC(CC1CC1)N=Nc1cc(F)c(F)cc1F ZINC000756828747 585323944 /nfs/dbraw/zinc/32/39/44/585323944.db2.gz HNRMZJYRJDAWEL-UHFFFAOYSA-N 0 0 242.244 3.692 20 30 BHEDRN CC(CC1CC1)N=Nc1cc(F)c(F)c(F)c1 ZINC000756829291 585323859 /nfs/dbraw/zinc/32/38/59/585323859.db2.gz MXFTWVCPAUZMNK-UHFFFAOYSA-N 0 0 242.244 3.692 20 30 BHEDRN CC(CC1CC1)N=Nc1c(F)cccc1F ZINC000756829796 585323831 /nfs/dbraw/zinc/32/38/31/585323831.db2.gz UJEQEAUQHCZXER-UHFFFAOYSA-N 0 0 224.254 3.553 20 30 BHEDRN CCCC(C)=NNCc1cccc(Cl)c1 ZINC000756831175 585323868 /nfs/dbraw/zinc/32/38/68/585323868.db2.gz HOMSCDOQVGAGIG-UHFFFAOYSA-N 0 0 224.735 3.606 20 30 BHEDRN CC(=NNCc1cccc(Cl)c1)C1CCC1 ZINC000756832079 585323929 /nfs/dbraw/zinc/32/39/29/585323929.db2.gz PQOKSKQUSWWPMY-UHFFFAOYSA-N 0 0 236.746 3.606 20 30 BHEDRN CC(CC1CC1)N=Nc1nccc2sccc21 ZINC000756832170 585324007 /nfs/dbraw/zinc/32/40/07/585324007.db2.gz CZQWIVJIYWLIFB-UHFFFAOYSA-N 0 0 245.351 3.884 20 30 BHEDRN CCC(=NNCc1cccc(Cl)c1)C1CC1 ZINC000756832369 585323955 /nfs/dbraw/zinc/32/39/55/585323955.db2.gz SLWREPNBVUBSJS-UHFFFAOYSA-N 0 0 236.746 3.606 20 30 BHEDRN Clc1cccc(CNN=C[C@@H]2CC=CCC2)c1 ZINC000756833046 585323827 /nfs/dbraw/zinc/32/38/27/585323827.db2.gz ZMKOUKNVFNJDGJ-GFCCVEGCSA-N 0 0 248.757 3.772 20 30 BHEDRN Clc1cccc(CNN=C[C@H]2CC=CCC2)c1 ZINC000756833047 585323998 /nfs/dbraw/zinc/32/39/98/585323998.db2.gz ZMKOUKNVFNJDGJ-LBPRGKRZSA-N 0 0 248.757 3.772 20 30 BHEDRN CCC(CC)=NNCc1cccc(Cl)c1 ZINC000756833053 585323904 /nfs/dbraw/zinc/32/39/04/585323904.db2.gz ZZNBOFHYHAIJGD-UHFFFAOYSA-N 0 0 224.735 3.606 20 30 BHEDRN CC(CC1CC1)N=NCc1ccccc1Cl ZINC000756833278 585323954 /nfs/dbraw/zinc/32/39/54/585323954.db2.gz DYFJHHKOEZABCP-UHFFFAOYSA-N 0 0 236.746 3.606 20 30 BHEDRN CC(CC1CC1)=NN[C@H](C)c1ccccc1 ZINC000756835846 585324039 /nfs/dbraw/zinc/32/40/39/585324039.db2.gz VUAWVUNRCDNFLG-GFCCVEGCSA-N 0 0 216.328 3.513 20 30 BHEDRN CC(CC1CC1)=NN[C@@H](C)c1ccccc1 ZINC000756835847 585324230 /nfs/dbraw/zinc/32/42/30/585324230.db2.gz VUAWVUNRCDNFLG-LBPRGKRZSA-N 0 0 216.328 3.513 20 30 BHEDRN CC(CC1CC1)N=Nc1cc(F)cc(F)c1 ZINC000756835966 585324199 /nfs/dbraw/zinc/32/41/99/585324199.db2.gz YUKMVOAOXFVFCM-UHFFFAOYSA-N 0 0 224.254 3.553 20 30 BHEDRN CCCCCC(C)N=Nc1ccncc1Cl ZINC000756839930 585324258 /nfs/dbraw/zinc/32/42/58/585324258.db2.gz UOBLFAYYGZWZJE-UHFFFAOYSA-N 0 0 239.750 3.525 20 30 BHEDRN CCCC(CCC)N=Nc1ccncc1Cl ZINC000756842587 585324109 /nfs/dbraw/zinc/32/41/09/585324109.db2.gz WAOUFVNVUNIENC-UHFFFAOYSA-N 0 0 239.750 3.525 20 30 BHEDRN CCCCC(CC)N=Nc1ccncc1Cl ZINC000756842619 585324154 /nfs/dbraw/zinc/32/41/54/585324154.db2.gz WKTWDZGOCCKJDL-UHFFFAOYSA-N 0 0 239.750 3.525 20 30 BHEDRN C#CC[C@@H](/N=C/c1ccccc1O)c1ccccc1 ZINC000756845075 585324461 /nfs/dbraw/zinc/32/44/61/585324461.db2.gz BGKBRLJCJHGRBQ-APVMCDBPSA-N 0 0 249.313 3.576 20 30 BHEDRN C#CC[C@H](/N=C\c1ccccc1O)c1ccccc1 ZINC000756845117 585324486 /nfs/dbraw/zinc/32/44/86/585324486.db2.gz BGKBRLJCJHGRBQ-CQUHBBLWSA-N 0 0 249.313 3.576 20 30 BHEDRN C#CC[C@H](/N=C/c1ccccc1O)c1ccccc1 ZINC000756845120 585324315 /nfs/dbraw/zinc/32/43/15/585324315.db2.gz BGKBRLJCJHGRBQ-HZGBGQKMSA-N 0 0 249.313 3.576 20 30 BHEDRN C#CC[C@@H](/N=C\c1ccccc1O)c1ccccc1 ZINC000756845123 585324280 /nfs/dbraw/zinc/32/42/80/585324280.db2.gz BGKBRLJCJHGRBQ-OKSBFYSISA-N 0 0 249.313 3.576 20 30 BHEDRN Cc1ccc(C=NOCCCOC(C)(C)C)cc1 ZINC000756848665 585324425 /nfs/dbraw/zinc/32/44/25/585324425.db2.gz QKZAORGMVRINOG-UHFFFAOYSA-N 0 0 249.354 3.551 20 30 BHEDRN Cc1ccccc1C=NOCCCOC(C)(C)C ZINC000756850050 585324450 /nfs/dbraw/zinc/32/44/50/585324450.db2.gz WVVUTZDXHKDSJP-UHFFFAOYSA-N 0 0 249.354 3.551 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccn(-c2ccccc2)n1 ZINC000756866143 585324799 /nfs/dbraw/zinc/32/47/99/585324799.db2.gz QBYFOUQYGLNNIP-CYBMUJFWSA-N 0 0 241.338 3.639 20 30 BHEDRN C=CCC[C@H](C)Nc1ccn(-c2ccccc2)n1 ZINC000756866144 585324607 /nfs/dbraw/zinc/32/46/07/585324607.db2.gz QBYFOUQYGLNNIP-ZDUSSCGKSA-N 0 0 241.338 3.639 20 30 BHEDRN C[C@@H]1CCC[C@@H](CCON=C2CCC2)C1 ZINC000756875326 585324655 /nfs/dbraw/zinc/32/46/55/585324655.db2.gz WRGJDNPUTTWCBF-NEPJUHHUSA-N 0 0 209.333 3.759 20 30 BHEDRN C[C@H]1CCC[C@H](CCON=C2CCC2)C1 ZINC000756875328 585324671 /nfs/dbraw/zinc/32/46/71/585324671.db2.gz WRGJDNPUTTWCBF-NWDGAFQWSA-N 0 0 209.333 3.759 20 30 BHEDRN C[C@H]1CCC[C@@H](CCON=C2CCC2)C1 ZINC000756875330 585324792 /nfs/dbraw/zinc/32/47/92/585324792.db2.gz WRGJDNPUTTWCBF-RYUDHWBXSA-N 0 0 209.333 3.759 20 30 BHEDRN C[C@@H]1CCC[C@H](CCON=C2CCC2)C1 ZINC000756875332 585324800 /nfs/dbraw/zinc/32/48/00/585324800.db2.gz WRGJDNPUTTWCBF-VXGBXAGGSA-N 0 0 209.333 3.759 20 30 BHEDRN CCCCNN=Cc1c(C)cc(Cl)cc1C ZINC000756878734 585324079 /nfs/dbraw/zinc/32/40/79/585324079.db2.gz DXXLJGJTHCETIA-UHFFFAOYSA-N 0 0 238.762 3.680 20 30 BHEDRN CC(C)CON=C[C@@H](C)c1ccc(F)cc1 ZINC000756895110 585324831 /nfs/dbraw/zinc/32/48/31/585324831.db2.gz HYDUSVDZTLVQBI-LLVKDONJSA-N 0 0 223.291 3.588 20 30 BHEDRN CC(C)CON=C[C@H](C)c1ccc(F)cc1 ZINC000756895111 585324937 /nfs/dbraw/zinc/32/49/37/585324937.db2.gz HYDUSVDZTLVQBI-NSHDSACASA-N 0 0 223.291 3.588 20 30 BHEDRN CC[C@@H](C)CSCc1ccc(OCC#N)cc1 ZINC000756952171 585325541 /nfs/dbraw/zinc/32/55/41/585325541.db2.gz NGYWHPWBDFLTLJ-GFCCVEGCSA-N 0 0 249.379 3.868 20 30 BHEDRN CC[C@H](C)CSCc1ccc(OCC#N)cc1 ZINC000756952177 585325416 /nfs/dbraw/zinc/32/54/16/585325416.db2.gz NGYWHPWBDFLTLJ-LBPRGKRZSA-N 0 0 249.379 3.868 20 30 BHEDRN C#CC[C@H](Nc1cc(C)ccn1)c1ccccc1 ZINC000756953986 585325478 /nfs/dbraw/zinc/32/54/78/585325478.db2.gz VNEWHWIEMMOQPS-HNNXBMFYSA-N 0 0 236.318 3.567 20 30 BHEDRN C#CC[C@@H](Nc1cc(C)ccn1)c1ccccc1 ZINC000756953987 585325607 /nfs/dbraw/zinc/32/56/07/585325607.db2.gz VNEWHWIEMMOQPS-OAHLLOKOSA-N 0 0 236.318 3.567 20 30 BHEDRN C#CC[C@H](Nc1ccc(C#N)cc1)c1ccccc1 ZINC000756957639 585325735 /nfs/dbraw/zinc/32/57/35/585325735.db2.gz XRFYILNKIJZORM-KRWDZBQOSA-N 0 0 246.313 3.735 20 30 BHEDRN C#CC[C@@H](Nc1ccc(C#N)cc1)c1ccccc1 ZINC000756957640 585325837 /nfs/dbraw/zinc/32/58/37/585325837.db2.gz XRFYILNKIJZORM-QGZVFWFLSA-N 0 0 246.313 3.735 20 30 BHEDRN C#CCCCNc1nc(-c2ccccc2)cs1 ZINC000756967853 585325697 /nfs/dbraw/zinc/32/56/97/585325697.db2.gz GNZMEAXBTWUZTL-UHFFFAOYSA-N 0 0 242.347 3.635 20 30 BHEDRN C=C[C@H](C)NC(=O)c1ccc([C@H](C)CC)cc1 ZINC000757006425 585326407 /nfs/dbraw/zinc/32/64/07/585326407.db2.gz GYSXPEMBYNZBGU-NEPJUHHUSA-N 0 0 231.339 3.504 20 30 BHEDRN C=C[C@@H](C)NC(=O)c1ccc([C@@H](C)CC)cc1 ZINC000757006426 585326472 /nfs/dbraw/zinc/32/64/72/585326472.db2.gz GYSXPEMBYNZBGU-NWDGAFQWSA-N 0 0 231.339 3.504 20 30 BHEDRN C=C[C@H](C)NC(=O)c1ccc([C@@H](C)CC)cc1 ZINC000757006427 585326391 /nfs/dbraw/zinc/32/63/91/585326391.db2.gz GYSXPEMBYNZBGU-RYUDHWBXSA-N 0 0 231.339 3.504 20 30 BHEDRN C=C[C@@H](C)NC(=O)c1ccc([C@H](C)CC)cc1 ZINC000757006428 585326351 /nfs/dbraw/zinc/32/63/51/585326351.db2.gz GYSXPEMBYNZBGU-VXGBXAGGSA-N 0 0 231.339 3.504 20 30 BHEDRN C=C[C@@H](C)NC(=O)C[C@H](C)CCCCCC ZINC000757010019 585326606 /nfs/dbraw/zinc/32/66/06/585326606.db2.gz GIAJTBCICUMFDV-CHWSQXEVSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C[C@H](C)NC(=O)C[C@H](C)CCCCCC ZINC000757010023 585326679 /nfs/dbraw/zinc/32/66/79/585326679.db2.gz GIAJTBCICUMFDV-OLZOCXBDSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C[C@@H](C)NC(=O)C[C@@H](C)CCCCCC ZINC000757010026 585326132 /nfs/dbraw/zinc/32/61/32/585326132.db2.gz GIAJTBCICUMFDV-QWHCGFSZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C[C@H](C)NC(=O)C[C@@H](C)CCCCCC ZINC000757010028 585326142 /nfs/dbraw/zinc/32/61/42/585326142.db2.gz GIAJTBCICUMFDV-STQMWFEESA-N 0 0 225.376 3.674 20 30 BHEDRN C=C[C@@H](C)NC(=O)[C@H](CCCCC)C(C)C ZINC000757012525 585326561 /nfs/dbraw/zinc/32/65/61/585326561.db2.gz KIVVEYOMWJGWFC-CHWSQXEVSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C[C@@H](C)NC(=O)[C@@H](CCCCC)C(C)C ZINC000757012526 585326537 /nfs/dbraw/zinc/32/65/37/585326537.db2.gz KIVVEYOMWJGWFC-OLZOCXBDSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C[C@H](C)NC(=O)[C@H](CCCCC)C(C)C ZINC000757012527 585326630 /nfs/dbraw/zinc/32/66/30/585326630.db2.gz KIVVEYOMWJGWFC-QWHCGFSZSA-N 0 0 225.376 3.530 20 30 BHEDRN C=C[C@H](C)NC(=O)[C@@H](CCCCC)C(C)C ZINC000757012528 585326681 /nfs/dbraw/zinc/32/66/81/585326681.db2.gz KIVVEYOMWJGWFC-STQMWFEESA-N 0 0 225.376 3.530 20 30 BHEDRN C=C[C@@H](C)NC(=O)CCCCCCCCC ZINC000757013301 585326715 /nfs/dbraw/zinc/32/67/15/585326715.db2.gz QZFKPLJTZZRKHW-CYBMUJFWSA-N 0 0 225.376 3.818 20 30 BHEDRN C=C[C@H](C)NC(=O)CCCCCCCCC ZINC000757013304 585326545 /nfs/dbraw/zinc/32/65/45/585326545.db2.gz QZFKPLJTZZRKHW-ZDUSSCGKSA-N 0 0 225.376 3.818 20 30 BHEDRN C=C[C@@H](C)NC(=O)[C@H](CC)CCCCCC ZINC000757014260 585326881 /nfs/dbraw/zinc/32/68/81/585326881.db2.gz WYMKWGPEKJSYIM-CHWSQXEVSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C[C@@H](C)NC(=O)[C@@H](CC)CCCCCC ZINC000757014262 585326796 /nfs/dbraw/zinc/32/67/96/585326796.db2.gz WYMKWGPEKJSYIM-OLZOCXBDSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C[C@H](C)NC(=O)[C@H](CC)CCCCCC ZINC000757014263 585326893 /nfs/dbraw/zinc/32/68/93/585326893.db2.gz WYMKWGPEKJSYIM-QWHCGFSZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C[C@H](C)NC(=O)[C@@H](CC)CCCCCC ZINC000757014265 585326759 /nfs/dbraw/zinc/32/67/59/585326759.db2.gz WYMKWGPEKJSYIM-STQMWFEESA-N 0 0 225.376 3.674 20 30 BHEDRN CCCCCCCCNC(=O)C[C@@H](C)SC ZINC000757162129 585329433 /nfs/dbraw/zinc/32/94/33/585329433.db2.gz DCODGQJTWQZKBN-GFCCVEGCSA-N 0 0 245.432 3.605 20 30 BHEDRN CCCCCCCCNC(=O)C[C@H](C)SC ZINC000757162130 585329373 /nfs/dbraw/zinc/32/93/73/585329373.db2.gz 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243.306 3.519 20 30 BHEDRN CC(C)=C(C)C(=O)O[C@@H](C)c1ccc(C#N)cc1 ZINC000757390029 585334490 /nfs/dbraw/zinc/33/44/90/585334490.db2.gz SYECXQBOSRZDQZ-LBPRGKRZSA-N 0 0 243.306 3.519 20 30 BHEDRN CCCCCCCOC(=O)C[C@@H](C)SC ZINC000757411090 585335209 /nfs/dbraw/zinc/33/52/09/585335209.db2.gz VWCYRSFWRINKPC-LLVKDONJSA-N 0 0 232.389 3.642 20 30 BHEDRN CCCCCCCOC(=O)C[C@H](C)SC ZINC000757411093 585335408 /nfs/dbraw/zinc/33/54/08/585335408.db2.gz VWCYRSFWRINKPC-NSHDSACASA-N 0 0 232.389 3.642 20 30 BHEDRN Cc1ccc(O)c(C(=O)/C=C/c2ccsc2)c1 ZINC000757475426 585338410 /nfs/dbraw/zinc/33/84/10/585338410.db2.gz KFEOYRNGHDDTFB-HWKANZROSA-N 0 0 244.315 3.658 20 30 BHEDRN Cc1ccc(O)c(C(=O)/C=C\c2ccsc2)c1 ZINC000757475428 585338448 /nfs/dbraw/zinc/33/84/48/585338448.db2.gz KFEOYRNGHDDTFB-HYXAFXHYSA-N 0 0 244.315 3.658 20 30 BHEDRN COc1cccc(/C=C2\CCCC(C)(C)C2=O)c1 ZINC000757533669 585340497 /nfs/dbraw/zinc/34/04/97/585340497.db2.gz HKMDNBBGEFECDI-JLHYYAGUSA-N 0 0 244.334 3.858 20 30 BHEDRN 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585340490 /nfs/dbraw/zinc/34/04/90/585340490.db2.gz OAXQLKXUQLMUHP-YFHOEESVSA-N 0 0 235.352 3.614 20 30 BHEDRN CC1(C)CCC/C(=C\c2ccc(Cl)nc2)C1=O ZINC000757534980 585340495 /nfs/dbraw/zinc/34/04/95/585340495.db2.gz PSQWGVJUGLQPLO-DHZHZOJOSA-N 0 0 249.741 3.898 20 30 BHEDRN COc1ccc(/C=C2/CCCC(C)(C)C2=O)cc1 ZINC000757535500 585340717 /nfs/dbraw/zinc/34/07/17/585340717.db2.gz VKBOTXQVHPUCGI-QBFSEMIESA-N 0 0 244.334 3.858 20 30 BHEDRN CC1(C)CCC/C(=C\c2cccc(F)c2)C1=O ZINC000757535871 585340649 /nfs/dbraw/zinc/34/06/49/585340649.db2.gz XCRMWXSOHSNURE-FMIVXFBMSA-N 0 0 232.298 3.988 20 30 BHEDRN CC1(C)CCC/C(=C/c2cccc(F)c2)C1=O ZINC000757535873 585340586 /nfs/dbraw/zinc/34/05/86/585340586.db2.gz XCRMWXSOHSNURE-XFXZXTDPSA-N 0 0 232.298 3.988 20 30 BHEDRN Cc1cccc(N=NC(C)CC2CCOCC2)c1 ZINC000757560735 585342060 /nfs/dbraw/zinc/34/20/60/585342060.db2.gz ISTVZKDQQOUFQH-UHFFFAOYSA-N 0 0 246.354 3.600 20 30 BHEDRN Cc1ccc(N=NC(C)CC2CCOCC2)cc1 ZINC000757561189 585341844 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/nfs/dbraw/zinc/34/97/02/585349702.db2.gz JNTGHXJCRHGDQL-CQSZACIVSA-N 0 0 242.366 3.842 20 30 BHEDRN CC(C)CON=C/C=C\c1ccc(F)cc1F ZINC000758128083 585349933 /nfs/dbraw/zinc/34/99/33/585349933.db2.gz CVQCRULGTSEFFV-LQQBLGBGSA-N 0 0 239.265 3.636 20 30 BHEDRN CC(C)CON=C/C=C/c1ccc(F)cc1F ZINC000758128084 585349906 /nfs/dbraw/zinc/34/99/06/585349906.db2.gz CVQCRULGTSEFFV-VFVPTBDISA-N 0 0 239.265 3.636 20 30 BHEDRN C=CCCC(C)N=Nc1ccc(F)cc1C ZINC000758128086 585349875 /nfs/dbraw/zinc/34/98/75/585349875.db2.gz CXMJGCMXHHXIEX-UHFFFAOYSA-N 0 0 220.291 3.888 20 30 BHEDRN CC(=NNC1CC1)c1cc2cc(C)c(C)cc2o1 ZINC000758128397 641386165 /nfs/dbraw/zinc/38/61/65/641386165.db2.gz XYNFHSGKYZERGU-UHFFFAOYSA-N 0 0 242.322 3.526 20 30 BHEDRN C(=NNC1CC1)c1cc(-c2ccccc2)cs1 ZINC000758128600 585349812 /nfs/dbraw/zinc/34/98/12/585349812.db2.gz ZVOJTYPDHCPOQR-UHFFFAOYSA-N 0 0 242.347 3.501 20 30 BHEDRN C#CCCNc1ccccc1COC(C)(C)CC ZINC000758129124 641385894 /nfs/dbraw/zinc/38/58/94/641385894.db2.gz ILWCZQAIFCJBKQ-UHFFFAOYSA-N 0 0 245.366 3.827 20 30 BHEDRN Fc1ccc(C2=CCC(N=NC3CC3)CC2)cc1 ZINC000758130550 641385763 /nfs/dbraw/zinc/38/57/63/641385763.db2.gz XPZQCFAJOCWIJR-UHFFFAOYSA-N 0 0 244.313 3.501 20 30 BHEDRN CC(=NNC1CC1)c1ccc(SC(C)C)cc1 ZINC000758132710 641386414 /nfs/dbraw/zinc/38/64/14/641386414.db2.gz KLVXEVZBBHYCMY-UHFFFAOYSA-N 0 0 248.395 3.663 20 30 BHEDRN CC(C)(C)C1CCC(CN=NC2CC2)CC1 ZINC000758133360 641385336 /nfs/dbraw/zinc/38/53/36/641385336.db2.gz MNLKLWVKAGIPLL-UHFFFAOYSA-N 0 0 222.376 3.577 20 30 BHEDRN CC(=NNC1CC1)c1cc(Cl)sc1Cl ZINC000758133733 641387063 /nfs/dbraw/zinc/38/70/63/641387063.db2.gz TZFJPYUHFMXISA-UHFFFAOYSA-N 0 0 249.166 3.531 20 30 BHEDRN CCCCCC[C@@H]1CCCC1=NNC1CC1 ZINC000758134509 585350596 /nfs/dbraw/zinc/35/05/96/585350596.db2.gz ZVPHVJMOILVAEH-GFCCVEGCSA-N 0 0 222.376 3.865 20 30 BHEDRN CCCCCC[C@H]1CCCC1=NNC1CC1 ZINC000758134514 585350658 /nfs/dbraw/zinc/35/06/58/585350658.db2.gz ZVPHVJMOILVAEH-LBPRGKRZSA-N 0 0 222.376 3.865 20 30 BHEDRN C=C(Cl)CN(C)c1ccc(OC)c(Cl)c1 ZINC000758141504 585350522 /nfs/dbraw/zinc/35/05/22/585350522.db2.gz GBGXFLSREVKMTP-UHFFFAOYSA-N 0 0 246.137 3.537 20 30 BHEDRN Fc1ccc(CON=CC2CCCC2)cc1 ZINC000758141943 585350632 /nfs/dbraw/zinc/35/06/32/585350632.db2.gz AQUYLTWUZJWJTF-UHFFFAOYSA-N 0 0 221.275 3.518 20 30 BHEDRN CC(=NOCc1ccc(F)cc1)c1cccs1 ZINC000758142002 585350619 /nfs/dbraw/zinc/35/06/19/585350619.db2.gz BQYZJKZQHYRWKB-UHFFFAOYSA-N 0 0 249.310 3.828 20 30 BHEDRN C[C@@H]1CCCC(=NOCc2ccc(F)cc2)C1 ZINC000758142257 585350539 /nfs/dbraw/zinc/35/05/39/585350539.db2.gz DIWMMNCBMHEZKB-LLVKDONJSA-N 0 0 235.302 3.908 20 30 BHEDRN C[C@H]1CCCC(=NOCc2ccc(F)cc2)C1 ZINC000758142259 585350671 /nfs/dbraw/zinc/35/06/71/585350671.db2.gz DIWMMNCBMHEZKB-NSHDSACASA-N 0 0 235.302 3.908 20 30 BHEDRN CCCCC=NOCc1ccc(F)cc1 ZINC000758142342 585350722 /nfs/dbraw/zinc/35/07/22/585350722.db2.gz GFCNGKFBUKGFTC-UHFFFAOYSA-N 0 0 209.264 3.518 20 30 BHEDRN CC(=NOCc1ccc(F)cc1)c1ccsc1 ZINC000758142350 585350601 /nfs/dbraw/zinc/35/06/01/585350601.db2.gz GQVHCQAYTJJQFM-UHFFFAOYSA-N 0 0 249.310 3.828 20 30 BHEDRN C=CC[C@@H](C)C(C)=NOCc1ccc(F)cc1 ZINC000758142782 585350698 /nfs/dbraw/zinc/35/06/98/585350698.db2.gz KNHUJEPKDRFKJO-LLVKDONJSA-N 0 0 235.302 3.930 20 30 BHEDRN C=CC[C@H](C)C(C)=NOCc1ccc(F)cc1 ZINC000758142785 585350715 /nfs/dbraw/zinc/35/07/15/585350715.db2.gz KNHUJEPKDRFKJO-NSHDSACASA-N 0 0 235.302 3.930 20 30 BHEDRN CC(=NOCc1ccc(F)cc1)C1CCCC1 ZINC000758142796 585350566 /nfs/dbraw/zinc/35/05/66/585350566.db2.gz KSSBRVSXBPHQIU-UHFFFAOYSA-N 0 0 235.302 3.908 20 30 BHEDRN C=CCCC(C)=NOCc1ccc(F)cc1 ZINC000758142805 585350622 /nfs/dbraw/zinc/35/06/22/585350622.db2.gz LGNCBLSVQDBHQH-UHFFFAOYSA-N 0 0 221.275 3.684 20 30 BHEDRN CC(=NOCc1ccc(F)cc1)C1CCC1 ZINC000758142842 585350690 /nfs/dbraw/zinc/35/06/90/585350690.db2.gz ACVQZXQKJQJVGJ-UHFFFAOYSA-N 0 0 221.275 3.518 20 30 BHEDRN CCC(=NOCc1ccc(F)cc1)C(C)C ZINC000758142892 585350607 /nfs/dbraw/zinc/35/06/07/585350607.db2.gz ASZANIWJNSBIJT-UHFFFAOYSA-N 0 0 223.291 3.764 20 30 BHEDRN Cc1ccc(C=NOCc2ccc(F)cc2)s1 ZINC000758142898 585350663 /nfs/dbraw/zinc/35/06/63/585350663.db2.gz IQEZGOCTEZONDM-UHFFFAOYSA-N 0 0 249.310 3.746 20 30 BHEDRN CC(CC1CCC1)=NOCc1ccc(F)cc1 ZINC000758142903 585350493 /nfs/dbraw/zinc/35/04/93/585350493.db2.gz ISMDQLPDEZBZJH-UHFFFAOYSA-N 0 0 235.302 3.908 20 30 BHEDRN CCCCC(C)=NOCc1ccc(F)cc1 ZINC000758142932 585350727 /nfs/dbraw/zinc/35/07/27/585350727.db2.gz NOSBMCPCUAMPIK-UHFFFAOYSA-N 0 0 223.291 3.908 20 30 BHEDRN Fc1ccc(CON=C2CCCCC2)cc1 ZINC000758143030 585350542 /nfs/dbraw/zinc/35/05/42/585350542.db2.gz CKKNZHXRHYNWGV-UHFFFAOYSA-N 0 0 221.275 3.662 20 30 BHEDRN CCC[C@@H](C)C=NOCc1ccc(F)cc1 ZINC000758143268 585350572 /nfs/dbraw/zinc/35/05/72/585350572.db2.gz PGVLGXZOHSZZSW-LLVKDONJSA-N 0 0 223.291 3.764 20 30 BHEDRN CCC[C@H](C)C=NOCc1ccc(F)cc1 ZINC000758143270 585350713 /nfs/dbraw/zinc/35/07/13/585350713.db2.gz PGVLGXZOHSZZSW-NSHDSACASA-N 0 0 223.291 3.764 20 30 BHEDRN CCCCCC=NOCc1ccc(F)cc1 ZINC000758143277 585350726 /nfs/dbraw/zinc/35/07/26/585350726.db2.gz PJPUCPCFWFBTRJ-UHFFFAOYSA-N 0 0 223.291 3.908 20 30 BHEDRN CC(C)(C=NOCc1ccc(F)cc1)CCC#N ZINC000758143445 585350606 /nfs/dbraw/zinc/35/06/06/585350606.db2.gz RRQSOVRCIKVHKW-UHFFFAOYSA-N 0 0 248.301 3.658 20 30 BHEDRN CC(CC1CC1)=NOCc1ccc(F)cc1 ZINC000758143450 585350544 /nfs/dbraw/zinc/35/05/44/585350544.db2.gz RVMFVMQOZWBYQO-UHFFFAOYSA-N 0 0 221.275 3.518 20 30 BHEDRN CCCC(C)=NOCc1ccc(F)cc1 ZINC000758143524 585350548 /nfs/dbraw/zinc/35/05/48/585350548.db2.gz GLWAWOPHLDKSPD-UHFFFAOYSA-N 0 0 209.264 3.518 20 30 BHEDRN CC(=NOCc1ccc(F)cc1)c1occc1C ZINC000758143546 585350699 /nfs/dbraw/zinc/35/06/99/585350699.db2.gz HAOPHONMTHXTTI-UHFFFAOYSA-N 0 0 247.269 3.668 20 30 BHEDRN CCC(=NOCc1ccc(F)cc1)C1CC1 ZINC000758143686 585350806 /nfs/dbraw/zinc/35/08/06/585350806.db2.gz UFCSDLMOEPAGNZ-UHFFFAOYSA-N 0 0 221.275 3.518 20 30 BHEDRN CC(C)(C)CC=NOCc1ccc(F)cc1 ZINC000758144161 585350791 /nfs/dbraw/zinc/35/07/91/585350791.db2.gz XXDKWABXMWVGJX-UHFFFAOYSA-N 0 0 223.291 3.764 20 30 BHEDRN CCCC(CC)=NOCc1ccc(F)cc1 ZINC000758144256 585350882 /nfs/dbraw/zinc/35/08/82/585350882.db2.gz KNMYZDZSFKWGPG-UHFFFAOYSA-N 0 0 223.291 3.908 20 30 BHEDRN CC1=CC(=NOCc2ccc(F)cc2)CCC1 ZINC000758144275 585350796 /nfs/dbraw/zinc/35/07/96/585350796.db2.gz SPAKVVQTZKYKSB-UHFFFAOYSA-N 0 0 233.286 3.829 20 30 BHEDRN CC(C)C(=NOCc1ccc(F)cc1)C1CC1 ZINC000758144301 585350845 /nfs/dbraw/zinc/35/08/45/585350845.db2.gz YTNKXDKUEBNBBO-UHFFFAOYSA-N 0 0 235.302 3.764 20 30 BHEDRN Fc1ccc(CON=C[C@@H]2CC=CCC2)cc1 ZINC000758144311 585350795 /nfs/dbraw/zinc/35/07/95/585350795.db2.gz SRJXMCLOPRVFIH-GFCCVEGCSA-N 0 0 233.286 3.684 20 30 BHEDRN Fc1ccc(CON=C[C@H]2CC=CCC2)cc1 ZINC000758144313 585350765 /nfs/dbraw/zinc/35/07/65/585350765.db2.gz SRJXMCLOPRVFIH-LBPRGKRZSA-N 0 0 233.286 3.684 20 30 BHEDRN Cc1cc(C=NOCc2ccc(F)cc2)c(C)o1 ZINC000758144364 585350678 /nfs/dbraw/zinc/35/06/78/585350678.db2.gz TZSNZLWIYFABCB-UHFFFAOYSA-N 0 0 247.269 3.586 20 30 BHEDRN CC[C@@H]1CCCC1=NOCc1ccc(F)cc1 ZINC000758144621 585350830 /nfs/dbraw/zinc/35/08/30/585350830.db2.gz NYIIMJPOUDZWIW-GFCCVEGCSA-N 0 0 235.302 3.908 20 30 BHEDRN CC[C@H]1CCCC1=NOCc1ccc(F)cc1 ZINC000758144624 585350757 /nfs/dbraw/zinc/35/07/57/585350757.db2.gz NYIIMJPOUDZWIW-LBPRGKRZSA-N 0 0 235.302 3.908 20 30 BHEDRN CC1(C)CCC(=NOCc2ccc(F)cc2)C1 ZINC000758144710 585350787 /nfs/dbraw/zinc/35/07/87/585350787.db2.gz PFOFXIREOQOSFU-UHFFFAOYSA-N 0 0 235.302 3.908 20 30 BHEDRN C[C@H]1CCCC1=NOCc1ccc(F)cc1 ZINC000758144741 585350794 /nfs/dbraw/zinc/35/07/94/585350794.db2.gz PUSBDAJDUAKKQB-JTQLQIEISA-N 0 0 221.275 3.518 20 30 BHEDRN C[C@@H]1CCCC1=NOCc1ccc(F)cc1 ZINC000758144742 585350850 /nfs/dbraw/zinc/35/08/50/585350850.db2.gz PUSBDAJDUAKKQB-SNVBAGLBSA-N 0 0 221.275 3.518 20 30 BHEDRN CCC(CC)=NOCc1ccc(F)cc1 ZINC000758144767 585350831 /nfs/dbraw/zinc/35/08/31/585350831.db2.gz QLMANDLWGOOVES-UHFFFAOYSA-N 0 0 209.264 3.518 20 30 BHEDRN CCC(C=NOCc1ccc(F)cc1)CC ZINC000758144775 585350773 /nfs/dbraw/zinc/35/07/73/585350773.db2.gz XACDQHUQTWJWRQ-UHFFFAOYSA-N 0 0 223.291 3.764 20 30 BHEDRN Fc1ccc(CON=CC2CCCCC2)cc1 ZINC000758144776 585350857 /nfs/dbraw/zinc/35/08/57/585350857.db2.gz XAKRXLAEDXVAMZ-UHFFFAOYSA-N 0 0 235.302 3.908 20 30 BHEDRN CC[C@H](C)C(C)=NOCc1ccc(F)cc1 ZINC000758145264 585350859 /nfs/dbraw/zinc/35/08/59/585350859.db2.gz YYMIYOHLYTUGEL-JTQLQIEISA-N 0 0 223.291 3.764 20 30 BHEDRN CC[C@@H](C)C(C)=NOCc1ccc(F)cc1 ZINC000758145266 585350825 /nfs/dbraw/zinc/35/08/25/585350825.db2.gz YYMIYOHLYTUGEL-SNVBAGLBSA-N 0 0 223.291 3.764 20 30 BHEDRN CCc1ccc(C=NOCc2ccc(F)cc2)o1 ZINC000758145345 585350843 /nfs/dbraw/zinc/35/08/43/585350843.db2.gz ZQNREVFBACURGI-UHFFFAOYSA-N 0 0 247.269 3.532 20 30 BHEDRN C[C@@H]1CCCCC1=NOCc1ccc(F)cc1 ZINC000758145437 585350878 /nfs/dbraw/zinc/35/08/78/585350878.db2.gz WUJOEGKTFMOLPQ-LLVKDONJSA-N 0 0 235.302 3.908 20 30 BHEDRN C[C@H]1CCCCC1=NOCc1ccc(F)cc1 ZINC000758145438 585350871 /nfs/dbraw/zinc/35/08/71/585350871.db2.gz WUJOEGKTFMOLPQ-NSHDSACASA-N 0 0 235.302 3.908 20 30 BHEDRN Fc1ccc(CON=C2CC3(CCC3)C2)cc1 ZINC000758145482 585350817 /nfs/dbraw/zinc/35/08/17/585350817.db2.gz XTXJQQFFBZFAGH-UHFFFAOYSA-N 0 0 233.286 3.662 20 30 BHEDRN CC1(C)CCCC1=NOCc1ccc(F)cc1 ZINC000758145720 585350823 /nfs/dbraw/zinc/35/08/23/585350823.db2.gz ZXXBLCMUBZJZTL-UHFFFAOYSA-N 0 0 235.302 3.908 20 30 BHEDRN C#CCCCC(=O)N(c1cccc(C)c1)C(C)C ZINC000758232747 584905292 /nfs/dbraw/zinc/90/52/92/584905292.db2.gz AGRVCZKRGMSNFA-UHFFFAOYSA-N 0 0 243.350 3.540 20 30 BHEDRN C#CCCCC(=O)N[C@@H](CCC)C1CCCCC1 ZINC000758264739 712408339 /nfs/dbraw/zinc/40/83/39/712408339.db2.gz LAJYDUJTOVWDIA-HNNXBMFYSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCC(=O)N[C@H](CCC)C1CCCCC1 ZINC000758264740 712408335 /nfs/dbraw/zinc/40/83/35/712408335.db2.gz LAJYDUJTOVWDIA-OAHLLOKOSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCC(=O)N(c1ccccc1C)C(C)C ZINC000758301917 585353439 /nfs/dbraw/zinc/35/34/39/585353439.db2.gz LUFJNCLWKAXGQK-UHFFFAOYSA-N 0 0 243.350 3.540 20 30 BHEDRN CC(C)c1ncc(C=NNc2ccccc2)s1 ZINC000758354241 585354358 /nfs/dbraw/zinc/35/43/58/585354358.db2.gz DNSJZHFDCVMZLV-UHFFFAOYSA-N 0 0 245.351 3.713 20 30 BHEDRN CC(CC1CCC1)N=Nc1ccc([N+](=O)[O-])cc1 ZINC000758354303 585354448 /nfs/dbraw/zinc/35/44/48/585354448.db2.gz GXRHDTIKDKLYCA-UHFFFAOYSA-N 0 0 247.298 3.573 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1ccccc1 ZINC000758354587 585354668 /nfs/dbraw/zinc/35/46/68/585354668.db2.gz KBAUYUNXXLXUIL-LLVKDONJSA-N 0 0 202.301 3.665 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1ccccc1 ZINC000758354589 585354680 /nfs/dbraw/zinc/35/46/80/585354680.db2.gz KBAUYUNXXLXUIL-NSHDSACASA-N 0 0 202.301 3.665 20 30 BHEDRN CC(CC1CCC1)N=Nc1ccccc1 ZINC000758354597 585354655 /nfs/dbraw/zinc/35/46/55/585354655.db2.gz KNPRIDWIVPRFPH-UHFFFAOYSA-N 0 0 202.301 3.665 20 30 BHEDRN C=CCC(CC=C)C(=O)NC1CCCCCCC1 ZINC000758355525 585354485 /nfs/dbraw/zinc/35/44/85/585354485.db2.gz VVRFMKBHBHTINQ-UHFFFAOYSA-N 0 0 249.398 3.984 20 30 BHEDRN CC(CC1CCC1)N=Nc1ccc(F)cc1F ZINC000758355539 585354624 /nfs/dbraw/zinc/35/46/24/585354624.db2.gz VXOAYJFNVQNNDJ-UHFFFAOYSA-N 0 0 238.281 3.943 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1ccc(C)cc1 ZINC000758357589 585354658 /nfs/dbraw/zinc/35/46/58/585354658.db2.gz AEZGTTPOVMMVFH-GFCCVEGCSA-N 0 0 216.328 3.973 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1ccc(C)cc1 ZINC000758357592 585353914 /nfs/dbraw/zinc/35/39/14/585353914.db2.gz AEZGTTPOVMMVFH-LBPRGKRZSA-N 0 0 216.328 3.973 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1ccc(F)cc1F ZINC000758357882 585354504 /nfs/dbraw/zinc/35/45/04/585354504.db2.gz CDSYMWNBUXSJDG-SECBINFHSA-N 0 0 238.281 3.943 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1ccc(F)cc1F ZINC000758357885 585354552 /nfs/dbraw/zinc/35/45/52/585354552.db2.gz CDSYMWNBUXSJDG-VIFPVBQESA-N 0 0 238.281 3.943 20 30 BHEDRN Cc1ccc(N=NC(C)CC2CCC2)cc1 ZINC000758358133 585354669 /nfs/dbraw/zinc/35/46/69/585354669.db2.gz GMRVEENMBAMWCC-UHFFFAOYSA-N 0 0 216.328 3.973 20 30 BHEDRN CC(CC1CCC1)N=Nc1cccc([N+](=O)[O-])c1 ZINC000758358368 585354578 /nfs/dbraw/zinc/35/45/78/585354578.db2.gz IYGSDLQEOWBFRJ-UHFFFAOYSA-N 0 0 247.298 3.573 20 30 BHEDRN C[C@@H]1C[C@H]1CN=Nc1cccc(C(F)(F)F)c1 ZINC000758358859 584905578 /nfs/dbraw/zinc/90/55/78/584905578.db2.gz MFZFOVLVKODXBW-BDAKNGLRSA-N 0 0 242.244 3.759 20 30 BHEDRN C[C@H]1C[C@@H]1CN=Nc1cccc(C(F)(F)F)c1 ZINC000758358864 584905511 /nfs/dbraw/zinc/90/55/11/584905511.db2.gz MFZFOVLVKODXBW-DTWKUNHWSA-N 0 0 242.244 3.759 20 30 BHEDRN C[C@H]1C[C@H]1CN=Nc1cccc(C(F)(F)F)c1 ZINC000758358867 584905576 /nfs/dbraw/zinc/90/55/76/584905576.db2.gz MFZFOVLVKODXBW-IUCAKERBSA-N 0 0 242.244 3.759 20 30 BHEDRN C[C@@H]1C[C@@H]1CN=Nc1cccc(C(F)(F)F)c1 ZINC000758358870 584905598 /nfs/dbraw/zinc/90/55/98/584905598.db2.gz MFZFOVLVKODXBW-RKDXNWHRSA-N 0 0 242.244 3.759 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1cccc([N+](=O)[O-])c1 ZINC000758359208 585354695 /nfs/dbraw/zinc/35/46/95/585354695.db2.gz ORGCRSNDDYDSHO-JTQLQIEISA-N 0 0 247.298 3.573 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1cccc([N+](=O)[O-])c1 ZINC000758359209 585354586 /nfs/dbraw/zinc/35/45/86/585354586.db2.gz ORGCRSNDDYDSHO-SNVBAGLBSA-N 0 0 247.298 3.573 20 30 BHEDRN C[C@@H]1C[C@H]1CN=Nc1ccccc1C(F)(F)F ZINC000758359227 585354571 /nfs/dbraw/zinc/35/45/71/585354571.db2.gz PCTOEKOQKNJISM-BDAKNGLRSA-N 0 0 242.244 3.759 20 30 BHEDRN C[C@H]1C[C@@H]1CN=Nc1ccccc1C(F)(F)F ZINC000758359230 585354483 /nfs/dbraw/zinc/35/44/83/585354483.db2.gz PCTOEKOQKNJISM-DTWKUNHWSA-N 0 0 242.244 3.759 20 30 BHEDRN C[C@H]1C[C@H]1CN=Nc1ccccc1C(F)(F)F ZINC000758359233 585354692 /nfs/dbraw/zinc/35/46/92/585354692.db2.gz PCTOEKOQKNJISM-IUCAKERBSA-N 0 0 242.244 3.759 20 30 BHEDRN C[C@@H]1C[C@@H]1CN=Nc1ccccc1C(F)(F)F ZINC000758359235 585354601 /nfs/dbraw/zinc/35/46/01/585354601.db2.gz PCTOEKOQKNJISM-RKDXNWHRSA-N 0 0 242.244 3.759 20 30 BHEDRN CC(CC1CCC1)N=Nc1ccc(F)cc1 ZINC000758359302 585354654 /nfs/dbraw/zinc/35/46/54/585354654.db2.gz POXAAOMTNKYPFY-UHFFFAOYSA-N 0 0 220.291 3.804 20 30 BHEDRN CC(CC1CCC1)N=Nc1ccccc1[N+](=O)[O-] ZINC000758359376 585354512 /nfs/dbraw/zinc/35/45/12/585354512.db2.gz PYOOEECYWBABRN-UHFFFAOYSA-N 0 0 247.298 3.573 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1cccc(C)c1 ZINC000758359631 585354619 /nfs/dbraw/zinc/35/46/19/585354619.db2.gz QBKQMHXGLMTEIC-GFCCVEGCSA-N 0 0 216.328 3.973 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1cccc(C)c1 ZINC000758359633 585354489 /nfs/dbraw/zinc/35/44/89/585354489.db2.gz QBKQMHXGLMTEIC-LBPRGKRZSA-N 0 0 216.328 3.973 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1ccc(F)cc1 ZINC000758360475 585353818 /nfs/dbraw/zinc/35/38/18/585353818.db2.gz WHGURMSRLFVWBE-JTQLQIEISA-N 0 0 220.291 3.804 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1ccc(F)cc1 ZINC000758360478 585353598 /nfs/dbraw/zinc/35/35/98/585353598.db2.gz WHGURMSRLFVWBE-SNVBAGLBSA-N 0 0 220.291 3.804 20 30 BHEDRN Cc1cccc(N=NC(C)CC2CCC2)c1 ZINC000758360716 585354265 /nfs/dbraw/zinc/35/42/65/585354265.db2.gz ZJLKYCJVNQCYBV-UHFFFAOYSA-N 0 0 216.328 3.973 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1nc2ccccc2[nH]1 ZINC000758361733 585354869 /nfs/dbraw/zinc/35/48/69/585354869.db2.gz NSBATGNGVBQKST-JTQLQIEISA-N 0 0 242.326 3.541 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1nc2ccccc2[nH]1 ZINC000758361736 585354822 /nfs/dbraw/zinc/35/48/22/585354822.db2.gz NSBATGNGVBQKST-SNVBAGLBSA-N 0 0 242.326 3.541 20 30 BHEDRN CC(CC1CCC1)N=Nc1nc2ccccc2[nH]1 ZINC000758362475 585354785 /nfs/dbraw/zinc/35/47/85/585354785.db2.gz UHHBQYBLYVBTAU-UHFFFAOYSA-N 0 0 242.326 3.541 20 30 BHEDRN CC(CC1CCC1)N=Nc1c(F)cccc1F ZINC000758369656 585354954 /nfs/dbraw/zinc/35/49/54/585354954.db2.gz IFLUIUYRJCHYDF-UHFFFAOYSA-N 0 0 238.281 3.943 20 30 BHEDRN C(=NNC1CCCC1)c1cc2ccccc2s1 ZINC000758370569 585354944 /nfs/dbraw/zinc/35/49/44/585354944.db2.gz OMSLBPVJYSUIED-UHFFFAOYSA-N 0 0 244.363 3.767 20 30 BHEDRN CC[C@H]1CCCC1=NNCCCc1ccccc1 ZINC000758370639 585355005 /nfs/dbraw/zinc/35/50/05/585355005.db2.gz QDMHYOOTIPWMND-HNNXBMFYSA-N 0 0 244.382 3.775 20 30 BHEDRN CC[C@@H]1CCCC1=NNCCCc1ccccc1 ZINC000758370643 585354975 /nfs/dbraw/zinc/35/49/75/585354975.db2.gz QDMHYOOTIPWMND-OAHLLOKOSA-N 0 0 244.382 3.775 20 30 BHEDRN CC(CC1CCC1)=NNCCCc1ccccc1 ZINC000758371215 585355054 /nfs/dbraw/zinc/35/50/54/585355054.db2.gz SXKLSXDLECOVDO-UHFFFAOYSA-N 0 0 244.382 3.775 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1c(F)cccc1F ZINC000758371304 585355049 /nfs/dbraw/zinc/35/50/49/585355049.db2.gz WMKYJACARDAUJT-SECBINFHSA-N 0 0 238.281 3.943 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1c(F)cccc1F ZINC000758371305 585355050 /nfs/dbraw/zinc/35/50/50/585355050.db2.gz WMKYJACARDAUJT-VIFPVBQESA-N 0 0 238.281 3.943 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1ncccc1Cl ZINC000758371333 585354955 /nfs/dbraw/zinc/35/49/55/585354955.db2.gz AKMFAJMUFMJCMJ-SECBINFHSA-N 0 0 237.734 3.713 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1ncccc1Cl ZINC000758371334 585355006 /nfs/dbraw/zinc/35/50/06/585355006.db2.gz AKMFAJMUFMJCMJ-VIFPVBQESA-N 0 0 237.734 3.713 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1cc(F)cc(F)c1 ZINC000758371882 585355071 /nfs/dbraw/zinc/35/50/71/585355071.db2.gz GVFSXKKDEQWFRN-SECBINFHSA-N 0 0 238.281 3.943 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1cc(F)cc(F)c1 ZINC000758371883 585355075 /nfs/dbraw/zinc/35/50/75/585355075.db2.gz GVFSXKKDEQWFRN-VIFPVBQESA-N 0 0 238.281 3.943 20 30 BHEDRN CC(CC1CCC1)N=Nc1ccc(C#N)cc1 ZINC000758372300 585355116 /nfs/dbraw/zinc/35/51/16/585355116.db2.gz LLKNYFYLDJUHME-UHFFFAOYSA-N 0 0 227.311 3.536 20 30 BHEDRN CC(CC1CCC1)N=Nc1cc(F)cc(F)c1 ZINC000758372367 585354987 /nfs/dbraw/zinc/35/49/87/585354987.db2.gz MYNMVGATAGTUKU-UHFFFAOYSA-N 0 0 238.281 3.943 20 30 BHEDRN CC(CC1CCC1)N=Nc1ncccc1Cl ZINC000758372443 585354971 /nfs/dbraw/zinc/35/49/71/585354971.db2.gz NUENXXWSDOURAK-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN CCCCNN=Cc1cc2ccccc2s1 ZINC000758372608 585355051 /nfs/dbraw/zinc/35/50/51/585355051.db2.gz OZDJHUSCWWGPGZ-UHFFFAOYSA-N 0 0 232.352 3.625 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1ccccc1F ZINC000758372672 584905718 /nfs/dbraw/zinc/90/57/18/584905718.db2.gz ACOZGFHQKFLICY-JTQLQIEISA-N 0 0 220.291 3.804 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1ccccc1F ZINC000758372697 584905689 /nfs/dbraw/zinc/90/56/89/584905689.db2.gz ACOZGFHQKFLICY-SNVBAGLBSA-N 0 0 220.291 3.804 20 30 BHEDRN C[C@H]1C[C@H]1CN=Nc1cccc2c1CCCC2 ZINC000758372700 585355272 /nfs/dbraw/zinc/35/52/72/585355272.db2.gz QXFZFYVZBMCKTM-AAEUAGOBSA-N 0 0 228.339 3.619 20 30 BHEDRN C[C@@H]1C[C@@H]1CN=Nc1cccc2c1CCCC2 ZINC000758372703 585355182 /nfs/dbraw/zinc/35/51/82/585355182.db2.gz QXFZFYVZBMCKTM-DGCLKSJQSA-N 0 0 228.339 3.619 20 30 BHEDRN C[C@H]1C[C@@H]1CN=Nc1cccc2c1CCCC2 ZINC000758372704 585355293 /nfs/dbraw/zinc/35/52/93/585355293.db2.gz QXFZFYVZBMCKTM-WCQYABFASA-N 0 0 228.339 3.619 20 30 BHEDRN C[C@@H]1C[C@H]1CN=Nc1cccc2c1CCCC2 ZINC000758372706 585355301 /nfs/dbraw/zinc/35/53/01/585355301.db2.gz QXFZFYVZBMCKTM-YPMHNXCESA-N 0 0 228.339 3.619 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1cccc(OC)c1 ZINC000758372773 585355137 /nfs/dbraw/zinc/35/51/37/585355137.db2.gz AUYVGMGPWCBONI-LLVKDONJSA-N 0 0 232.327 3.673 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1cccc(OC)c1 ZINC000758372774 585355278 /nfs/dbraw/zinc/35/52/78/585355278.db2.gz AUYVGMGPWCBONI-NSHDSACASA-N 0 0 232.327 3.673 20 30 BHEDRN Cc1c(Cl)cccc1N=NC[C@H]1C[C@H]1C ZINC000758373019 585355274 /nfs/dbraw/zinc/35/52/74/585355274.db2.gz STTQMFLLENNPNE-PSASIEDQSA-N 0 0 222.719 3.702 20 30 BHEDRN Cc1c(Cl)cccc1N=NC[C@@H]1C[C@H]1C ZINC000758373021 585355172 /nfs/dbraw/zinc/35/51/72/585355172.db2.gz STTQMFLLENNPNE-SCZZXKLOSA-N 0 0 222.719 3.702 20 30 BHEDRN Cc1c(Cl)cccc1N=NC[C@H]1C[C@@H]1C ZINC000758373022 584905757 /nfs/dbraw/zinc/90/57/57/584905757.db2.gz STTQMFLLENNPNE-WCBMZHEXSA-N 0 0 222.719 3.702 20 30 BHEDRN Cc1c(Cl)cccc1N=NC[C@@H]1C[C@@H]1C ZINC000758373025 584905756 /nfs/dbraw/zinc/90/57/56/584905756.db2.gz STTQMFLLENNPNE-WPRPVWTQSA-N 0 0 222.719 3.702 20 30 BHEDRN CC(CC1CCC1)=NOCc1ccccc1 ZINC000758373140 585355334 /nfs/dbraw/zinc/35/53/34/585355334.db2.gz CPXMKUOVOHNNRL-UHFFFAOYSA-N 0 0 217.312 3.769 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1ccc(C#N)cc1 ZINC000758373332 585355284 /nfs/dbraw/zinc/35/52/84/585355284.db2.gz WJMGPIQVWXPEOY-GFCCVEGCSA-N 0 0 227.311 3.536 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1ccc(C#N)cc1 ZINC000758373334 584905692 /nfs/dbraw/zinc/90/56/92/584905692.db2.gz WJMGPIQVWXPEOY-LBPRGKRZSA-N 0 0 227.311 3.536 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1cccc(C#N)c1 ZINC000758373570 585355168 /nfs/dbraw/zinc/35/51/68/585355168.db2.gz GKRDIBVEEFMHTP-GFCCVEGCSA-N 0 0 227.311 3.536 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1cccc(C#N)c1 ZINC000758373571 585355135 /nfs/dbraw/zinc/35/51/35/585355135.db2.gz GKRDIBVEEFMHTP-LBPRGKRZSA-N 0 0 227.311 3.536 20 30 BHEDRN CC[C@@H]1CCCC1=NOCc1ccccc1 ZINC000758374066 585355275 /nfs/dbraw/zinc/35/52/75/585355275.db2.gz NMMRGGSBEJDFQS-CYBMUJFWSA-N 0 0 217.312 3.769 20 30 BHEDRN CC[C@H]1CCCC1=NOCc1ccccc1 ZINC000758374068 585355320 /nfs/dbraw/zinc/35/53/20/585355320.db2.gz NMMRGGSBEJDFQS-ZDUSSCGKSA-N 0 0 217.312 3.769 20 30 BHEDRN C[C@H]1C[C@H]1CN=Nc1cccc2ccccc21 ZINC000758374206 585355221 /nfs/dbraw/zinc/35/52/21/585355221.db2.gz CVVWPNDEGWQCGT-AAEUAGOBSA-N 0 0 224.307 3.894 20 30 BHEDRN C[C@@H]1C[C@@H]1CN=Nc1cccc2ccccc21 ZINC000758374207 585355143 /nfs/dbraw/zinc/35/51/43/585355143.db2.gz CVVWPNDEGWQCGT-DGCLKSJQSA-N 0 0 224.307 3.894 20 30 BHEDRN C[C@H]1C[C@@H]1CN=Nc1cccc2ccccc21 ZINC000758374208 585355246 /nfs/dbraw/zinc/35/52/46/585355246.db2.gz CVVWPNDEGWQCGT-WCQYABFASA-N 0 0 224.307 3.894 20 30 BHEDRN C[C@@H]1C[C@H]1CN=Nc1cccc2ccccc21 ZINC000758374209 585355327 /nfs/dbraw/zinc/35/53/27/585355327.db2.gz CVVWPNDEGWQCGT-YPMHNXCESA-N 0 0 224.307 3.894 20 30 BHEDRN CC(CC1CCC1)N=Nc1cccc(C#N)c1 ZINC000758374669 585355192 /nfs/dbraw/zinc/35/51/92/585355192.db2.gz UATZHQFDZBLOLT-UHFFFAOYSA-N 0 0 227.311 3.536 20 30 BHEDRN COc1cccc(N=NC(C)CC2CCC2)c1 ZINC000758374671 585355202 /nfs/dbraw/zinc/35/52/02/585355202.db2.gz UHODGCMFPSMBGZ-UHFFFAOYSA-N 0 0 232.327 3.673 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1cccc(F)c1 ZINC000758374801 585355319 /nfs/dbraw/zinc/35/53/19/585355319.db2.gz JJCNYHYSFXEVRJ-JTQLQIEISA-N 0 0 220.291 3.804 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1cccc(F)c1 ZINC000758374802 585355235 /nfs/dbraw/zinc/35/52/35/585355235.db2.gz JJCNYHYSFXEVRJ-SNVBAGLBSA-N 0 0 220.291 3.804 20 30 BHEDRN CC(CC1CCC1)N=Nc1ccccc1F ZINC000758374915 585355286 /nfs/dbraw/zinc/35/52/86/585355286.db2.gz ZONFWBROHBAXMB-UHFFFAOYSA-N 0 0 220.291 3.804 20 30 BHEDRN CC(CC1CCC1)N=N[C@H](C)c1ccccc1 ZINC000758374954 585355213 /nfs/dbraw/zinc/35/52/13/585355213.db2.gz LQQUGUQCTDDZDP-CYBMUJFWSA-N 0 0 230.355 3.903 20 30 BHEDRN CC(CC1CCC1)N=N[C@@H](C)c1ccccc1 ZINC000758374955 585355233 /nfs/dbraw/zinc/35/52/33/585355233.db2.gz LQQUGUQCTDDZDP-ZDUSSCGKSA-N 0 0 230.355 3.903 20 30 BHEDRN C[C@@H]1C[C@@H]1CN=Nc1cccc(Cl)c1F ZINC000758375016 585355250 /nfs/dbraw/zinc/35/52/50/585355250.db2.gz NGCAIAJICIRMOB-HTQZYQBOSA-N 0 0 226.682 3.533 20 30 BHEDRN C[C@H]1C[C@@H]1CN=Nc1cccc(Cl)c1F ZINC000758375018 585355153 /nfs/dbraw/zinc/35/51/53/585355153.db2.gz NGCAIAJICIRMOB-JGVFFNPUSA-N 0 0 226.682 3.533 20 30 BHEDRN C[C@@H]1C[C@H]1CN=Nc1cccc(Cl)c1F ZINC000758375020 585355225 /nfs/dbraw/zinc/35/52/25/585355225.db2.gz NGCAIAJICIRMOB-SFYZADRCSA-N 0 0 226.682 3.533 20 30 BHEDRN C[C@H]1C[C@H]1CN=Nc1cccc(Cl)c1F ZINC000758375021 585355277 /nfs/dbraw/zinc/35/52/77/585355277.db2.gz NGCAIAJICIRMOB-YUMQZZPRSA-N 0 0 226.682 3.533 20 30 BHEDRN CC(CC1CCC1)N=Nc1cccc(F)c1 ZINC000758375402 585355268 /nfs/dbraw/zinc/35/52/68/585355268.db2.gz SPXFZHIBKWPESP-UHFFFAOYSA-N 0 0 220.291 3.804 20 30 BHEDRN C[C@@H]1C[C@@H]1CN=Nc1ccc(Cl)c(F)c1 ZINC000758377678 585355136 /nfs/dbraw/zinc/35/51/36/585355136.db2.gz BINGTSWTEBATSN-HTQZYQBOSA-N 0 0 226.682 3.533 20 30 BHEDRN C[C@H]1C[C@@H]1CN=Nc1ccc(Cl)c(F)c1 ZINC000758377680 585355302 /nfs/dbraw/zinc/35/53/02/585355302.db2.gz BINGTSWTEBATSN-JGVFFNPUSA-N 0 0 226.682 3.533 20 30 BHEDRN C[C@@H]1C[C@H]1CN=Nc1ccc(Cl)c(F)c1 ZINC000758377682 585355169 /nfs/dbraw/zinc/35/51/69/585355169.db2.gz BINGTSWTEBATSN-SFYZADRCSA-N 0 0 226.682 3.533 20 30 BHEDRN C[C@H]1C[C@H]1CN=Nc1ccc(Cl)c(F)c1 ZINC000758377683 585355279 /nfs/dbraw/zinc/35/52/79/585355279.db2.gz BINGTSWTEBATSN-YUMQZZPRSA-N 0 0 226.682 3.533 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1cccc(F)c1F ZINC000758378193 585355373 /nfs/dbraw/zinc/35/53/73/585355373.db2.gz KQUSFVPEIWCJPF-SECBINFHSA-N 0 0 238.281 3.943 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1cccc(F)c1F ZINC000758378195 585355474 /nfs/dbraw/zinc/35/54/74/585355474.db2.gz KQUSFVPEIWCJPF-VIFPVBQESA-N 0 0 238.281 3.943 20 30 BHEDRN C=CCC(CC=C)C(=O)Oc1ccc(C)cc1C ZINC000758379375 585355508 /nfs/dbraw/zinc/35/55/08/585355508.db2.gz FURBDPMLWVXOAT-UHFFFAOYSA-N 0 0 244.334 3.977 20 30 BHEDRN CC(CC1CCC1)N=Nc1ccc(Cl)nc1 ZINC000758379550 585355539 /nfs/dbraw/zinc/35/55/39/585355539.db2.gz WVXHJIJOCODTPT-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1ccc(Cl)nc1 ZINC000758379585 585355520 /nfs/dbraw/zinc/35/55/20/585355520.db2.gz XXGVSBILXYRKMK-SECBINFHSA-N 0 0 237.734 3.713 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1ccc(Cl)nc1 ZINC000758379590 585355535 /nfs/dbraw/zinc/35/55/35/585355535.db2.gz XXGVSBILXYRKMK-VIFPVBQESA-N 0 0 237.734 3.713 20 30 BHEDRN Cc1cc(C)c(N=NC[C@@H]2C[C@@H]2C)c(C)c1 ZINC000758379859 585355554 /nfs/dbraw/zinc/35/55/54/585355554.db2.gz ZQCSLRYCJBWJLR-GWCFXTLKSA-N 0 0 216.328 3.666 20 30 BHEDRN Cc1cc(C)c(N=NC[C@H]2C[C@@H]2C)c(C)c1 ZINC000758379882 585355536 /nfs/dbraw/zinc/35/55/36/585355536.db2.gz ZQCSLRYCJBWJLR-GXFFZTMASA-N 0 0 216.328 3.666 20 30 BHEDRN Cc1cc(C)c(N=NC[C@@H]2C[C@H]2C)c(C)c1 ZINC000758379887 585355384 /nfs/dbraw/zinc/35/53/84/585355384.db2.gz ZQCSLRYCJBWJLR-MFKMUULPSA-N 0 0 216.328 3.666 20 30 BHEDRN Cc1cc(C)c(N=NC[C@H]2C[C@H]2C)c(C)c1 ZINC000758379894 585355562 /nfs/dbraw/zinc/35/55/62/585355562.db2.gz ZQCSLRYCJBWJLR-ZWNOBZJWSA-N 0 0 216.328 3.666 20 30 BHEDRN CC(CC1CCC1)N=Nc1cccc(F)c1F ZINC000758379942 585355464 /nfs/dbraw/zinc/35/54/64/585355464.db2.gz ZSPMLVPUHOIPGN-UHFFFAOYSA-N 0 0 238.281 3.943 20 30 BHEDRN C=CCCOc1cc(Cl)c(C=O)cc1Cl ZINC000758437883 585356109 /nfs/dbraw/zinc/35/61/09/585356109.db2.gz VTWOBOPBECWBQM-UHFFFAOYSA-N 0 0 245.105 3.761 20 30 BHEDRN C#CCCCCNc1ccc2ccc(F)cc2n1 ZINC000758474760 585356373 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/nfs/dbraw/zinc/36/24/33/585362433.db2.gz PLVGDUZIXOQJOO-CQSZACIVSA-N 0 0 244.334 3.711 20 30 BHEDRN CCCC[C@@H]1CCCC1=NOCC(F)F ZINC000758906186 584906200 /nfs/dbraw/zinc/90/62/00/584906200.db2.gz BWLMDXHPSOPPAM-SECBINFHSA-N 0 0 219.275 3.614 20 30 BHEDRN CCCC[C@H]1CCCC1=NOCC(F)F ZINC000758906187 584906221 /nfs/dbraw/zinc/90/62/21/584906221.db2.gz BWLMDXHPSOPPAM-VIFPVBQESA-N 0 0 219.275 3.614 20 30 BHEDRN CC(CCc1cccc(C)c1)=NOCC(F)F ZINC000758906318 584906087 /nfs/dbraw/zinc/90/60/87/584906087.db2.gz DZYDPFFDDJOUDO-UHFFFAOYSA-N 0 0 241.281 3.585 20 30 BHEDRN CC(=NOCC(F)F)C1CCCCCC1 ZINC000758906337 585362272 /nfs/dbraw/zinc/36/22/72/585362272.db2.gz FMUQINIBBRUVIG-UHFFFAOYSA-N 0 0 219.275 3.614 20 30 BHEDRN C[C@H](C=NOCC(F)F)c1cccc(Cl)c1 ZINC000758906373 584906196 /nfs/dbraw/zinc/90/61/96/584906196.db2.gz GFLDHJITIHEUAM-MRVPVSSYSA-N 0 0 247.672 3.711 20 30 BHEDRN C[C@@H](C=NOCC(F)F)c1cccc(Cl)c1 ZINC000758906374 584906267 /nfs/dbraw/zinc/90/62/67/584906267.db2.gz GFLDHJITIHEUAM-QMMMGPOBSA-N 0 0 247.672 3.711 20 30 BHEDRN CC(CCc1ccc(C)cc1)=NOCC(F)F ZINC000758906469 585362292 /nfs/dbraw/zinc/36/22/92/585362292.db2.gz HXDBVDFQXQWPHT-UHFFFAOYSA-N 0 0 241.281 3.585 20 30 BHEDRN CC(=NOCC(F)F)c1ccc(C(C)C)cc1 ZINC000758906869 585362370 /nfs/dbraw/zinc/36/23/70/585362370.db2.gz MPAJGXXFWDSQJE-UHFFFAOYSA-N 0 0 241.281 3.816 20 30 BHEDRN CC(=NOCC(F)F)[C@@H](C)C1CCCCC1 ZINC000758907222 584906372 /nfs/dbraw/zinc/90/63/72/584906372.db2.gz SAKWWRGIGKPZOJ-SECBINFHSA-N 0 0 233.302 3.860 20 30 BHEDRN CC(=NOCC(F)F)[C@H](C)C1CCCCC1 ZINC000758907224 584906330 /nfs/dbraw/zinc/90/63/30/584906330.db2.gz SAKWWRGIGKPZOJ-VIFPVBQESA-N 0 0 233.302 3.860 20 30 BHEDRN CCCCC(=NOCC(F)F)c1ccccc1 ZINC000758907498 585362266 /nfs/dbraw/zinc/36/22/66/585362266.db2.gz VRHMEBSDIPBWAU-UHFFFAOYSA-N 0 0 241.281 3.863 20 30 BHEDRN CCC(=NOCC(F)F)c1ccc(CC)cc1 ZINC000758907511 585362378 /nfs/dbraw/zinc/36/23/78/585362378.db2.gz WGEUZRNBKBXNCC-UHFFFAOYSA-N 0 0 241.281 3.645 20 30 BHEDRN C=C[C@@H](CC(=O)OCCC1CC1)c1ccccc1 ZINC000758907575 585362434 /nfs/dbraw/zinc/36/24/34/585362434.db2.gz KDYVSFZXELKGHZ-AWEZNQCLSA-N 0 0 244.334 3.690 20 30 BHEDRN C=C[C@H](CC(=O)OCCC1CC1)c1ccccc1 ZINC000758907576 584906323 /nfs/dbraw/zinc/90/63/23/584906323.db2.gz KDYVSFZXELKGHZ-CQSZACIVSA-N 0 0 244.334 3.690 20 30 BHEDRN C=C[C@H](CC(=O)OCCCC)c1ccccc1 ZINC000758908272 585362537 /nfs/dbraw/zinc/36/25/37/585362537.db2.gz PTBPGBACVFTGQW-CYBMUJFWSA-N 0 0 232.323 3.690 20 30 BHEDRN C=C[C@@H](CC(=O)OCCCC)c1ccccc1 ZINC000758908274 585362596 /nfs/dbraw/zinc/36/25/96/585362596.db2.gz PTBPGBACVFTGQW-ZDUSSCGKSA-N 0 0 232.323 3.690 20 30 BHEDRN CCC[C@H](C=NOCC(F)F)c1ccccc1 ZINC000758909145 585362490 /nfs/dbraw/zinc/36/24/90/585362490.db2.gz AWUKUTBDKXAKRD-GFCCVEGCSA-N 0 0 241.281 3.838 20 30 BHEDRN CCC[C@@H](C=NOCC(F)F)c1ccccc1 ZINC000758909146 585362581 /nfs/dbraw/zinc/36/25/81/585362581.db2.gz AWUKUTBDKXAKRD-LBPRGKRZSA-N 0 0 241.281 3.838 20 30 BHEDRN CCCC(Cc1ccccc1)=NOCC(F)F ZINC000758909448 585362561 /nfs/dbraw/zinc/36/25/61/585362561.db2.gz DLUXSPIKZNLMMN-UHFFFAOYSA-N 0 0 241.281 3.667 20 30 BHEDRN C=C[C@@H](CC(=O)OCC1CCC1)c1ccccc1 ZINC000758910230 585362652 /nfs/dbraw/zinc/36/26/52/585362652.db2.gz FYQNTBDLEHSIAY-AWEZNQCLSA-N 0 0 244.334 3.690 20 30 BHEDRN C=C[C@H](CC(=O)OCC1CCC1)c1ccccc1 ZINC000758910233 585362617 /nfs/dbraw/zinc/36/26/17/585362617.db2.gz FYQNTBDLEHSIAY-CQSZACIVSA-N 0 0 244.334 3.690 20 30 BHEDRN C=C[C@H](CC(=O)OCC(C)C)c1ccccc1 ZINC000758910442 585362672 /nfs/dbraw/zinc/36/26/72/585362672.db2.gz YAZYRKVYCIUYCK-CYBMUJFWSA-N 0 0 232.323 3.546 20 30 BHEDRN C=C[C@@H](CC(=O)OCC(C)C)c1ccccc1 ZINC000758910444 585362495 /nfs/dbraw/zinc/36/24/95/585362495.db2.gz YAZYRKVYCIUYCK-ZDUSSCGKSA-N 0 0 232.323 3.546 20 30 BHEDRN C=C(C)[C@H]1CC=C(C)C(=NOCC(F)F)C1 ZINC000758910608 585362532 /nfs/dbraw/zinc/36/25/32/585362532.db2.gz IWKARUAVCLNDKE-JTQLQIEISA-N 0 0 229.270 3.557 20 30 BHEDRN C=C(C)[C@@H]1CC=C(C)C(=NOCC(F)F)C1 ZINC000758910610 585362563 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585364230 /nfs/dbraw/zinc/36/42/30/585364230.db2.gz BDNLRWPDDUEOCI-UHFFFAOYSA-N 0 0 228.295 3.638 20 30 BHEDRN C#Cc1cccc(NC(=O)C2(CCC)CCC2)c1 ZINC000759121119 585364341 /nfs/dbraw/zinc/36/43/41/585364341.db2.gz KBJSFBGXXPXJCG-UHFFFAOYSA-N 0 0 241.334 3.577 20 30 BHEDRN C#CCN(C(=O)C=C(CC)CC)C1CCCCC1 ZINC000759171909 585364762 /nfs/dbraw/zinc/36/47/62/585364762.db2.gz OFXUPMPTMQPRKL-UHFFFAOYSA-N 0 0 247.382 3.527 20 30 BHEDRN C#CCN(C(=O)CC(CC)CC)C1CCCCC1 ZINC000759172360 585364706 /nfs/dbraw/zinc/36/47/06/585364706.db2.gz SGDZIEJATKJDME-UHFFFAOYSA-N 0 0 249.398 3.607 20 30 BHEDRN CC(Cc1cccc(F)c1)N=Nc1ccccc1 ZINC000759178723 585364709 /nfs/dbraw/zinc/36/47/09/585364709.db2.gz DLUUPVUZPMHHSN-UHFFFAOYSA-N 0 0 242.297 3.856 20 30 BHEDRN COCCCC(C)N=Nc1cccc(Cl)c1 ZINC000759180128 585364928 /nfs/dbraw/zinc/36/49/28/585364928.db2.gz OWKNZXHTQLMGEI-UHFFFAOYSA-N 0 0 240.734 3.554 20 30 BHEDRN COCCCC(C)N=Nc1ccccc1Cl ZINC000759180148 585364862 /nfs/dbraw/zinc/36/48/62/585364862.db2.gz 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GUNPWPBEPPGJNR-UHFFFAOYSA-N 0 0 242.677 3.602 20 30 BHEDRN C=CCCCOC(=O)c1cccc(Cl)c1F ZINC000763521728 585449048 /nfs/dbraw/zinc/44/90/48/585449048.db2.gz VECOIMSMAXEUKR-UHFFFAOYSA-N 0 0 242.677 3.602 20 30 BHEDRN C#Cc1cccc(NC(=O)[C@@H](CCC)C(C)C)c1 ZINC000763531318 585449496 /nfs/dbraw/zinc/44/94/96/585449496.db2.gz PDNNKZLVMSLHMO-HNNXBMFYSA-N 0 0 243.350 3.679 20 30 BHEDRN C#Cc1cccc(NC(=O)[C@H](CCC)C(C)C)c1 ZINC000763531320 585449616 /nfs/dbraw/zinc/44/96/16/585449616.db2.gz PDNNKZLVMSLHMO-OAHLLOKOSA-N 0 0 243.350 3.679 20 30 BHEDRN C#CCCCNc1cc(C)c2ccc(C)cc2n1 ZINC000763531852 585449647 /nfs/dbraw/zinc/44/96/47/585449647.db2.gz SHMKCHYHGCJLNQ-UHFFFAOYSA-N 0 0 238.334 3.677 20 30 BHEDRN C=CCCCCCN(C)C/C(Cl)=C/Cl ZINC000763559077 585450896 /nfs/dbraw/zinc/45/08/96/585450896.db2.gz AMENCENBUBIRMQ-LUAWRHEFSA-N 0 0 236.186 3.984 20 30 BHEDRN C=CCCCCCN(C)C/C(Cl)=C\Cl ZINC000763559079 585450840 /nfs/dbraw/zinc/45/08/40/585450840.db2.gz AMENCENBUBIRMQ-PKNBQFBNSA-N 0 0 236.186 3.984 20 30 BHEDRN C=C(Cl)CN1CCCSc2ccccc21 ZINC000763734007 585453512 /nfs/dbraw/zinc/45/35/12/585453512.db2.gz JGHOKUBZCXBYAJ-UHFFFAOYSA-N 0 0 239.771 3.741 20 30 BHEDRN C#CCN(C(=O)C[C@@H](C)CCCCCC)C1CC1 ZINC000763799070 585454588 /nfs/dbraw/zinc/45/45/88/585454588.db2.gz ILGPWUFWCZFYPU-AWEZNQCLSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCN(C(=O)C[C@H](C)CCCCCC)C1CC1 ZINC000763799071 585454606 /nfs/dbraw/zinc/45/46/06/585454606.db2.gz ILGPWUFWCZFYPU-CQSZACIVSA-N 0 0 249.398 3.607 20 30 BHEDRN C=CCCOC(=O)c1cccc(SCC)c1 ZINC000763821269 585454892 /nfs/dbraw/zinc/45/48/92/585454892.db2.gz RFDMDEMBPPATST-UHFFFAOYSA-N 0 0 236.336 3.532 20 30 BHEDRN C=C(Cl)CN(C)Cc1ccc(F)c(Cl)c1 ZINC000763825440 585454793 /nfs/dbraw/zinc/45/47/93/585454793.db2.gz NJROKFNIZWUXSI-UHFFFAOYSA-N 0 0 248.128 3.663 20 30 BHEDRN CCCCCCCC(=O)N[C@@H]1CCC(F)(F)C1 ZINC000763870756 585455712 /nfs/dbraw/zinc/45/57/12/585455712.db2.gz MOTPKWMNTKSBNR-LLVKDONJSA-N 0 0 247.329 3.651 20 30 BHEDRN CCCCCCCC(=O)N[C@H]1CCC(F)(F)C1 ZINC000763870757 585455890 /nfs/dbraw/zinc/45/58/90/585455890.db2.gz MOTPKWMNTKSBNR-NSHDSACASA-N 0 0 247.329 3.651 20 30 BHEDRN C=CCC(CC=C)C(=O)OC/C(Cl)=C\Cl ZINC000764007437 585458818 /nfs/dbraw/zinc/45/88/18/585458818.db2.gz LQZWMFFDMVVBGU-JXMROGBWSA-N 0 0 249.137 3.617 20 30 BHEDRN C=CCC(CC=C)C(=O)OC/C(Cl)=C/Cl ZINC000764007438 585458757 /nfs/dbraw/zinc/45/87/57/585458757.db2.gz LQZWMFFDMVVBGU-YFHOEESVSA-N 0 0 249.137 3.617 20 30 BHEDRN CCC[C@H](C(=O)Oc1ccc(C#N)cc1)C(C)C ZINC000764144585 585460649 /nfs/dbraw/zinc/46/06/49/585460649.db2.gz XNWOQVSJWZHHBE-AWEZNQCLSA-N 0 0 245.322 3.536 20 30 BHEDRN CCC[C@@H](C(=O)Oc1ccc(C#N)cc1)C(C)C ZINC000764144587 585460780 /nfs/dbraw/zinc/46/07/80/585460780.db2.gz XNWOQVSJWZHHBE-CQSZACIVSA-N 0 0 245.322 3.536 20 30 BHEDRN C#CCCN(Cc1ccsc1)c1ccccc1 ZINC000764232582 585462350 /nfs/dbraw/zinc/46/23/50/585462350.db2.gz JVUHNJMGPHHKHP-UHFFFAOYSA-N 0 0 241.359 3.778 20 30 BHEDRN C=CCCC(=O)O[C@H](C)c1cc(C)ccc1F ZINC000764330069 585463563 /nfs/dbraw/zinc/46/35/63/585463563.db2.gz BYOPXZKDBQEWDD-LLVKDONJSA-N 0 0 236.286 3.705 20 30 BHEDRN C=CCCC(=O)O[C@@H](C)c1cc(C)ccc1F ZINC000764330071 585463613 /nfs/dbraw/zinc/46/36/13/585463613.db2.gz BYOPXZKDBQEWDD-NSHDSACASA-N 0 0 236.286 3.705 20 30 BHEDRN C=CCCCC(=O)O[C@@H](C)c1ccc(OC)cc1 ZINC000764422816 585465294 /nfs/dbraw/zinc/46/52/94/585465294.db2.gz DRWIPBDCBUCNQD-LBPRGKRZSA-N 0 0 248.322 3.656 20 30 BHEDRN COc1ccsc1/C=C/C(=O)c1ccc(C)o1 ZINC000764431451 585465337 /nfs/dbraw/zinc/46/53/37/585465337.db2.gz CVGBSSDUBSVNTF-GQCTYLIASA-N 0 0 248.303 3.554 20 30 BHEDRN COc1ccsc1/C=C\C(=O)c1ccc(C)o1 ZINC000764431453 585465299 /nfs/dbraw/zinc/46/52/99/585465299.db2.gz CVGBSSDUBSVNTF-XQRVVYSFSA-N 0 0 248.303 3.554 20 30 BHEDRN COc1ccsc1/C=C/C(=O)c1ccccc1 ZINC000764437666 585465640 /nfs/dbraw/zinc/46/56/40/585465640.db2.gz UGPFWIVEYGYVOP-BQYQJAHWSA-N 0 0 244.315 3.653 20 30 BHEDRN COc1ccsc1/C=C\C(=O)c1ccccc1 ZINC000764437670 585465472 /nfs/dbraw/zinc/46/54/72/585465472.db2.gz UGPFWIVEYGYVOP-FPLPWBNLSA-N 0 0 244.315 3.653 20 30 BHEDRN C#CCN(C(=O)[C@@H](CC)CCCCCC)C1CC1 ZINC000764479985 585466276 /nfs/dbraw/zinc/46/62/76/585466276.db2.gz AIYLJJWWKREDPW-AWEZNQCLSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCN(C(=O)[C@H](CC)CCCCCC)C1CC1 ZINC000764479988 585466195 /nfs/dbraw/zinc/46/61/95/585466195.db2.gz AIYLJJWWKREDPW-CQSZACIVSA-N 0 0 249.398 3.607 20 30 BHEDRN C=CCCC(=O)OCc1ccc(C(F)F)cc1 ZINC000764525260 585467429 /nfs/dbraw/zinc/46/74/29/585467429.db2.gz FYLRHRQYNPYBPB-UHFFFAOYSA-N 0 0 240.249 3.634 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1sc(C)nc1C ZINC000764544530 585467668 /nfs/dbraw/zinc/46/76/68/585467668.db2.gz KODZEODRSLJOJG-MRVPVSSYSA-N 0 0 240.372 3.547 20 30 BHEDRN CC[C@H](C)CON=C(C)c1sc(C)nc1C ZINC000764544532 585467753 /nfs/dbraw/zinc/46/77/53/585467753.db2.gz KODZEODRSLJOJG-QMMMGPOBSA-N 0 0 240.372 3.547 20 30 BHEDRN CCCCCCCn1nccc1-c1ccncc1 ZINC000764547279 585467301 /nfs/dbraw/zinc/46/73/01/585467301.db2.gz IUJVVZUXGXYKOF-UHFFFAOYSA-N 0 0 243.354 3.916 20 30 BHEDRN CCCCCCCn1nccc1-c1cccnc1 ZINC000764548059 585467748 /nfs/dbraw/zinc/46/77/48/585467748.db2.gz QDVUBMJSIFVEPU-UHFFFAOYSA-N 0 0 243.354 3.916 20 30 BHEDRN CCCCCCC[S@](=O)C(CC)CC ZINC000764557770 585467770 /nfs/dbraw/zinc/46/77/70/585467770.db2.gz AFTADCHYXNVYJE-AWEZNQCLSA-N 0 0 218.406 3.894 20 30 BHEDRN CCCCCCC[S@@](=O)C(CC)CC ZINC000764557771 585467951 /nfs/dbraw/zinc/46/79/51/585467951.db2.gz AFTADCHYXNVYJE-CQSZACIVSA-N 0 0 218.406 3.894 20 30 BHEDRN CCCCCCC[S@@](=O)[C@@H](C)C(C)C ZINC000764558358 585467826 /nfs/dbraw/zinc/46/78/26/585467826.db2.gz FGRCTTBUOCXGFI-GXTWGEPZSA-N 0 0 218.406 3.750 20 30 BHEDRN CCCCCCC[S@](=O)[C@@H](C)C(C)C ZINC000764558359 585467896 /nfs/dbraw/zinc/46/78/96/585467896.db2.gz FGRCTTBUOCXGFI-JSGCOSHPSA-N 0 0 218.406 3.750 20 30 BHEDRN CCCCCCC[S@](=O)[C@H](C)C(C)C ZINC000764558361 585468003 /nfs/dbraw/zinc/46/80/03/585468003.db2.gz FGRCTTBUOCXGFI-OCCSQVGLSA-N 0 0 218.406 3.750 20 30 BHEDRN CCCCCCC[S@@](=O)[C@H](C)C(C)C ZINC000764558362 585467834 /nfs/dbraw/zinc/46/78/34/585467834.db2.gz FGRCTTBUOCXGFI-TZMCWYRMSA-N 0 0 218.406 3.750 20 30 BHEDRN CCCCCCC[S@](=O)CCC(C)C ZINC000764559513 585467927 /nfs/dbraw/zinc/46/79/27/585467927.db2.gz SGZLLFICGCUEKG-AWEZNQCLSA-N 0 0 218.406 3.752 20 30 BHEDRN CCCCCCC[S@@](=O)CCC(C)C ZINC000764559514 585467944 /nfs/dbraw/zinc/46/79/44/585467944.db2.gz SGZLLFICGCUEKG-CQSZACIVSA-N 0 0 218.406 3.752 20 30 BHEDRN CCCCCCC[S@@](=O)C[C@@H](C)CC ZINC000764562130 585467851 /nfs/dbraw/zinc/46/78/51/585467851.db2.gz FNNYGBZVROXWAN-GXTWGEPZSA-N 0 0 218.406 3.752 20 30 BHEDRN CCCCCCC[S@](=O)C[C@@H](C)CC ZINC000764562131 585467880 /nfs/dbraw/zinc/46/78/80/585467880.db2.gz FNNYGBZVROXWAN-JSGCOSHPSA-N 0 0 218.406 3.752 20 30 BHEDRN CCCCCCC[S@](=O)C[C@H](C)CC ZINC000764562132 585467943 /nfs/dbraw/zinc/46/79/43/585467943.db2.gz FNNYGBZVROXWAN-OCCSQVGLSA-N 0 0 218.406 3.752 20 30 BHEDRN CCCCCCC[S@@](=O)C[C@H](C)CC ZINC000764562133 585467771 /nfs/dbraw/zinc/46/77/71/585467771.db2.gz FNNYGBZVROXWAN-TZMCWYRMSA-N 0 0 218.406 3.752 20 30 BHEDRN CCC(C)(C)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000764612036 585468858 /nfs/dbraw/zinc/46/88/58/585468858.db2.gz DXHOYBARCMYMGE-LLVKDONJSA-N 0 0 245.322 3.599 20 30 BHEDRN CCC(C)(C)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000764612057 585468997 /nfs/dbraw/zinc/46/89/97/585468997.db2.gz DXHOYBARCMYMGE-NSHDSACASA-N 0 0 245.322 3.599 20 30 BHEDRN CCC(CC)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000764615194 585469163 /nfs/dbraw/zinc/46/91/63/585469163.db2.gz WFQBNHMEBYUXCB-LLVKDONJSA-N 0 0 245.322 3.599 20 30 BHEDRN CCC(CC)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000764615195 585469108 /nfs/dbraw/zinc/46/91/08/585469108.db2.gz WFQBNHMEBYUXCB-NSHDSACASA-N 0 0 245.322 3.599 20 30 BHEDRN CCCCCCCSCc1nc(CC)no1 ZINC000764638712 585469818 /nfs/dbraw/zinc/46/98/18/585469818.db2.gz LISVKNDACHFDSC-UHFFFAOYSA-N 0 0 242.388 3.836 20 30 BHEDRN CCCCCCCSC[C@H]1CCCO1 ZINC000764639096 585469617 /nfs/dbraw/zinc/46/96/17/585469617.db2.gz CWQUCQBXRNEHHW-GFCCVEGCSA-N 0 0 216.390 3.869 20 30 BHEDRN Cc1cc(C)nc(N=NC(C)CCCC(C)C)n1 ZINC000764639111 585469634 /nfs/dbraw/zinc/46/96/34/585469634.db2.gz DHCOIXSDQNXHFN-UHFFFAOYSA-N 0 0 248.374 3.708 20 30 BHEDRN CCCCCCCSC[C@@H]1CCCO1 ZINC000764639113 585469611 /nfs/dbraw/zinc/46/96/11/585469611.db2.gz CWQUCQBXRNEHHW-LBPRGKRZSA-N 0 0 216.390 3.869 20 30 BHEDRN CCCCCCCSCc1noc(CC)n1 ZINC000764640945 585469696 /nfs/dbraw/zinc/46/96/96/585469696.db2.gz ZLCVXBRVIMLYEM-UHFFFAOYSA-N 0 0 242.388 3.836 20 30 BHEDRN C=CCCSCc1cccc2nsnc21 ZINC000764642386 585469900 /nfs/dbraw/zinc/46/99/00/585469900.db2.gz WNWJLTUFVDOFQX-UHFFFAOYSA-N 0 0 236.365 3.501 20 30 BHEDRN CCCCCCCSCc1ccon1 ZINC000764642529 585469939 /nfs/dbraw/zinc/46/99/39/585469939.db2.gz XRHPVNPTTGGJQA-UHFFFAOYSA-N 0 0 213.346 3.878 20 30 BHEDRN C=C(C)CSCc1cccc2nsnc21 ZINC000764648322 585469881 /nfs/dbraw/zinc/46/98/81/585469881.db2.gz GMBIYRRZGWBJAC-UHFFFAOYSA-N 0 0 236.365 3.501 20 30 BHEDRN COc1ccsc1C=NNc1cccc(C)c1 ZINC000764650330 585470250 /nfs/dbraw/zinc/47/02/50/585470250.db2.gz VCNPCSFGDRHJSB-UHFFFAOYSA-N 0 0 246.335 3.511 20 30 BHEDRN COc1ccsc1C=NNc1ccc(C)cc1 ZINC000764650427 585470078 /nfs/dbraw/zinc/47/00/78/585470078.db2.gz WZQDPJHJAMSYIJ-UHFFFAOYSA-N 0 0 246.335 3.511 20 30 BHEDRN C#Cc1cccc(NC(=O)/C=C/C(=C/C)CC)c1 ZINC000764654279 585470240 /nfs/dbraw/zinc/47/02/40/585470240.db2.gz LPOGEIANUVHMPP-ABDBBEBTSA-N 0 0 239.318 3.519 20 30 BHEDRN CC(C)CCCC(C)N=Nc1ccccn1 ZINC000764664229 585470484 /nfs/dbraw/zinc/47/04/84/585470484.db2.gz BXVKNMPFMOQBIX-UHFFFAOYSA-N 0 0 219.332 3.696 20 30 BHEDRN CC1(C)CCC(CN=Nc2ccccn2)CC1 ZINC000764666883 585470472 /nfs/dbraw/zinc/47/04/72/585470472.db2.gz TUTGNQOPHWRGLG-UHFFFAOYSA-N 0 0 231.343 3.696 20 30 BHEDRN CC(C)[C@H]1CCCCC1N=Nc1ccccn1 ZINC000764667225 585470318 /nfs/dbraw/zinc/47/03/18/585470318.db2.gz YTBQMKKTOPBIDQ-GFCCVEGCSA-N 0 0 231.343 3.696 20 30 BHEDRN CC(C)[C@@H]1CCCCC1N=Nc1ccccn1 ZINC000764667228 585470395 /nfs/dbraw/zinc/47/03/95/585470395.db2.gz YTBQMKKTOPBIDQ-LBPRGKRZSA-N 0 0 231.343 3.696 20 30 BHEDRN CCC1(C(=O)OCCCCC#N)CCCCC1 ZINC000764674740 585470663 /nfs/dbraw/zinc/47/06/63/585470663.db2.gz XHFDBKQWDBRPFY-UHFFFAOYSA-N 0 0 237.343 3.584 20 30 BHEDRN CCON=C(C)CCc1ccc(Cl)s1 ZINC000764675700 585470535 /nfs/dbraw/zinc/47/05/35/585470535.db2.gz GYPUNZIEWQGKTH-UHFFFAOYSA-N 0 0 231.748 3.747 20 30 BHEDRN CCCNN=C(C)CCc1ccc(Cl)s1 ZINC000764680499 585470578 /nfs/dbraw/zinc/47/05/78/585470578.db2.gz CUYNSLMGGNDEKY-UHFFFAOYSA-N 0 0 244.791 3.710 20 30 BHEDRN Cc1cc(N=NC(C)CCCC(C)C)nc(C)n1 ZINC000764684527 585471006 /nfs/dbraw/zinc/47/10/06/585471006.db2.gz ZMNMFLQBLAIOER-UHFFFAOYSA-N 0 0 248.374 3.708 20 30 BHEDRN CC1(C)CCC(CN=Nc2ccc(F)cn2)CC1 ZINC000764686368 585470854 /nfs/dbraw/zinc/47/08/54/585470854.db2.gz HQJDEGPPDQCRHT-UHFFFAOYSA-N 0 0 249.333 3.835 20 30 BHEDRN CC(C)[C@H]1CCCCC1N=Nc1ccc(F)cn1 ZINC000764686884 585470958 /nfs/dbraw/zinc/47/09/58/585470958.db2.gz NDEGAYBRKKGEGD-GFCCVEGCSA-N 0 0 249.333 3.835 20 30 BHEDRN CC(C)[C@@H]1CCCCC1N=Nc1ccc(F)cn1 ZINC000764686888 585471042 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244.363 3.570 20 30 BHEDRN CCC(C=NNCc1cccc(C)c1)CC ZINC000764714386 585470930 /nfs/dbraw/zinc/47/09/30/585470930.db2.gz FSBYAWCUYGAZOL-UHFFFAOYSA-N 0 0 218.344 3.507 20 30 BHEDRN Cc1cccc(CNN=CC2CCCCC2)c1 ZINC000764714404 585471697 /nfs/dbraw/zinc/47/16/97/585471697.db2.gz GKNKAWZIPQCVFP-UHFFFAOYSA-N 0 0 230.355 3.651 20 30 BHEDRN CC(=NNCc1cccc(C)c1)c1cccs1 ZINC000764715578 585471799 /nfs/dbraw/zinc/47/17/99/585471799.db2.gz QPFCWHDYOYWWSB-UHFFFAOYSA-N 0 0 244.363 3.570 20 30 BHEDRN Fc1ccccc1CCN=NC1CCCCCC1 ZINC000764716780 585471763 /nfs/dbraw/zinc/47/17/63/585471763.db2.gz KNKOWUPTHSMUED-UHFFFAOYSA-N 0 0 248.345 3.668 20 30 BHEDRN CC1CCC(N=NCCc2ccccc2F)CC1 ZINC000764716826 585471782 /nfs/dbraw/zinc/47/17/82/585471782.db2.gz LUDRRQPYPKJSHT-UHFFFAOYSA-N 0 0 248.345 3.524 20 30 BHEDRN CC(N=NCc1ccc(Cl)cc1)C1CCC1 ZINC000764717735 585471721 /nfs/dbraw/zinc/47/17/21/585471721.db2.gz HISQFDGXCBTSJB-UHFFFAOYSA-N 0 0 236.746 3.606 20 30 BHEDRN Clc1ccc(CN=NC[C@@H]2CC=CCC2)cc1 ZINC000764718101 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/nfs/dbraw/zinc/47/59/83/585475983.db2.gz WOPJIFDREIIIQG-UHFFFAOYSA-N 0 0 211.227 3.522 20 30 BHEDRN CC1=CC(=NOCC(F)(F)F)CC(C)(C)C1 ZINC000764847282 585475905 /nfs/dbraw/zinc/47/59/05/585475905.db2.gz XKNXMURQOBBAQK-UHFFFAOYSA-N 0 0 235.249 3.688 20 30 BHEDRN CC(C)=CCCC(C)=NOCC(F)(F)F ZINC000764847306 585475932 /nfs/dbraw/zinc/47/59/32/585475932.db2.gz ZGRUPXDZOCMMGI-UHFFFAOYSA-N 0 0 223.238 3.688 20 30 BHEDRN CC(C)(CC#N)COC(=O)/C=C/C1CCCCC1 ZINC000764848704 585475887 /nfs/dbraw/zinc/47/58/87/585475887.db2.gz WYGCOHSSOFLRCV-CMDGGOBGSA-N 0 0 249.354 3.606 20 30 BHEDRN CC(C)(CC#N)COC(=O)/C=C\C1CCCCC1 ZINC000764848705 585475895 /nfs/dbraw/zinc/47/58/95/585475895.db2.gz WYGCOHSSOFLRCV-HJWRWDBZSA-N 0 0 249.354 3.606 20 30 BHEDRN CCC(CC)(CC)C(=O)OCC(C)(C)CC#N ZINC000764848756 585475884 /nfs/dbraw/zinc/47/58/84/585475884.db2.gz ZJEOBAANMBSUSI-UHFFFAOYSA-N 0 0 239.359 3.686 20 30 BHEDRN CC(C)O[C@H]1CC(N=Nc2ccccc2)C1(C)C ZINC000764890820 585477035 /nfs/dbraw/zinc/47/70/35/585477035.db2.gz CDRPIPVLOGBLIP-AWEZNQCLSA-N 0 0 246.354 3.678 20 30 BHEDRN CC(C)O[C@@H]1CC(N=Nc2ccccc2)C1(C)C ZINC000764890821 585477246 /nfs/dbraw/zinc/47/72/46/585477246.db2.gz CDRPIPVLOGBLIP-CQSZACIVSA-N 0 0 246.354 3.678 20 30 BHEDRN CC(CCc1ccsc1)N=Nc1ccccn1 ZINC000764894216 585477342 /nfs/dbraw/zinc/47/73/42/585477342.db2.gz JOUCOSATHZOYQU-UHFFFAOYSA-N 0 0 245.351 3.564 20 30 BHEDRN CCON=C(C)c1ccc(OC(C)(C)C)cc1 ZINC000764905963 712412502 /nfs/dbraw/zinc/41/25/02/712412502.db2.gz UHOOGFWBELGOJP-UHFFFAOYSA-N 0 0 235.327 3.624 20 30 BHEDRN CC(C)O[C@@H]1CC(=NOC2CCCC2)C1(C)C ZINC000764906999 712412494 /nfs/dbraw/zinc/41/24/94/712412494.db2.gz BEAQMJIZZDCHPP-CYBMUJFWSA-N 0 0 239.359 3.525 20 30 BHEDRN CC(C)O[C@H]1CC(=NOC2CCCC2)C1(C)C ZINC000764907001 712412398 /nfs/dbraw/zinc/41/23/98/712412398.db2.gz BEAQMJIZZDCHPP-ZDUSSCGKSA-N 0 0 239.359 3.525 20 30 BHEDRN CCCCCC[C@H](C)NN=Cc1ccc(C)nc1 ZINC000764907926 712412475 /nfs/dbraw/zinc/41/24/75/712412475.db2.gz FQRXCGLEACZIGA-AWEZNQCLSA-N 0 0 247.386 3.672 20 30 BHEDRN CCCCCC[C@@H](C)NN=Cc1ccc(C)nc1 ZINC000764907927 712412405 /nfs/dbraw/zinc/41/24/05/712412405.db2.gz FQRXCGLEACZIGA-CQSZACIVSA-N 0 0 247.386 3.672 20 30 BHEDRN CC(CCc1ccsc1)=NOCC(C)C ZINC000764908104 712412382 /nfs/dbraw/zinc/41/23/82/712412382.db2.gz IUHIVHDXJJTZDF-UHFFFAOYSA-N 0 0 225.357 3.729 20 30 BHEDRN CC(CCc1ccsc1)=NNC1CCCC1 ZINC000764912465 585477736 /nfs/dbraw/zinc/47/77/36/585477736.db2.gz VCHYARLEZNJXQE-UHFFFAOYSA-N 0 0 236.384 3.589 20 30 BHEDRN CC#CCCSCCOc1ccc(C)cc1 ZINC000764940564 585477964 /nfs/dbraw/zinc/47/79/64/585477964.db2.gz NGRVIYSAYXODCK-UHFFFAOYSA-N 0 0 234.364 3.520 20 30 BHEDRN CC#CCCSCCOc1ccccc1C ZINC000764941518 585477838 /nfs/dbraw/zinc/47/78/38/585477838.db2.gz SFBHFFCOOCMEGW-UHFFFAOYSA-N 0 0 234.364 3.520 20 30 BHEDRN CC#CCCSCc1ccc(CF)cc1 ZINC000764951911 585477948 /nfs/dbraw/zinc/47/79/48/585477948.db2.gz WUZHTSVCRUKRQG-UHFFFAOYSA-N 0 0 222.328 3.803 20 30 BHEDRN C=CCCC[C@@H](C)Sc1ccc(Cl)nn1 ZINC000764952779 585477858 /nfs/dbraw/zinc/47/78/58/585477858.db2.gz ABTXMJLWUJVWEY-SECBINFHSA-N 0 0 242.775 3.967 20 30 BHEDRN C=CCCC[C@H](C)Sc1ccc(Cl)nn1 ZINC000764952787 585477946 /nfs/dbraw/zinc/47/79/46/585477946.db2.gz ABTXMJLWUJVWEY-VIFPVBQESA-N 0 0 242.775 3.967 20 30 BHEDRN CC#CCCSc1ccc(OCC)cc1 ZINC000764953096 585477967 /nfs/dbraw/zinc/47/79/67/585477967.db2.gz DYSXCLWCTMPUBW-UHFFFAOYSA-N 0 0 220.337 3.591 20 30 BHEDRN CC#CCCSc1nc2ccccc2s1 ZINC000764956703 585478115 /nfs/dbraw/zinc/47/81/15/585478115.db2.gz YQXOPUUHHDULFS-UHFFFAOYSA-N 0 0 233.361 3.802 20 30 BHEDRN C=CCCC[C@@H](C)SC1=N[C@H](C)CS1 ZINC000764961141 644660357 /nfs/dbraw/zinc/66/03/57/644660357.db2.gz QOMGVVMVUIMMHF-NXEZZACHSA-N 0 0 229.414 3.956 20 30 BHEDRN C=CCCC[C@H](C)SC1=N[C@@H](C)CS1 ZINC000764961142 644660768 /nfs/dbraw/zinc/66/07/68/644660768.db2.gz QOMGVVMVUIMMHF-UWVGGRQHSA-N 0 0 229.414 3.956 20 30 BHEDRN C=CCCC[C@@H](C)SC1=N[C@@H](C)CS1 ZINC000764961143 644659868 /nfs/dbraw/zinc/65/98/68/644659868.db2.gz QOMGVVMVUIMMHF-VHSXEESVSA-N 0 0 229.414 3.956 20 30 BHEDRN C=CCCC[C@H](C)SC1=N[C@H](C)CS1 ZINC000764961144 585478030 /nfs/dbraw/zinc/47/80/30/585478030.db2.gz QOMGVVMVUIMMHF-ZJUUUORDSA-N 0 0 229.414 3.956 20 30 BHEDRN CCC[C@@H](C)CC(=O)Oc1ccc(C#N)c(C)c1 ZINC000765091299 585481018 /nfs/dbraw/zinc/48/10/18/585481018.db2.gz GQOFSLBBKKYQEJ-LLVKDONJSA-N 0 0 245.322 3.598 20 30 BHEDRN CCC[C@H](C)CC(=O)Oc1ccc(C#N)c(C)c1 ZINC000765091302 585481229 /nfs/dbraw/zinc/48/12/29/585481229.db2.gz GQOFSLBBKKYQEJ-NSHDSACASA-N 0 0 245.322 3.598 20 30 BHEDRN CCC(=CC(=O)Oc1ccc(C#N)c(C)c1)CC ZINC000765091304 585481187 /nfs/dbraw/zinc/48/11/87/585481187.db2.gz GTJOLIRMZGQNPD-UHFFFAOYSA-N 0 0 243.306 3.519 20 30 BHEDRN CCC(C)(C)CC(=O)Oc1ccc(C#N)c(C)c1 ZINC000765091676 585481048 /nfs/dbraw/zinc/48/10/48/585481048.db2.gz LFAAWKBQPDHFEK-UHFFFAOYSA-N 0 0 245.322 3.598 20 30 BHEDRN CCC(CC)CC(=O)Oc1ccc(C#N)c(C)c1 ZINC000765092136 585481169 /nfs/dbraw/zinc/48/11/69/585481169.db2.gz QRSWVDFZTQXQAB-UHFFFAOYSA-N 0 0 245.322 3.598 20 30 BHEDRN CC/C(C)=C(/C)C(=O)Oc1ccc(C#N)c(C)c1 ZINC000765113143 585481432 /nfs/dbraw/zinc/48/14/32/585481432.db2.gz MDBPQTCAMVWQOJ-BENRWUELSA-N 0 0 243.306 3.519 20 30 BHEDRN CC/C(C)=C(\C)C(=O)Oc1ccc(C#N)c(C)c1 ZINC000765113145 585481313 /nfs/dbraw/zinc/48/13/13/585481313.db2.gz MDBPQTCAMVWQOJ-ZRDIBKRKSA-N 0 0 243.306 3.519 20 30 BHEDRN Cc1cc(OC(=O)CCC(C)(C)C)ccc1C#N ZINC000765117340 585481426 /nfs/dbraw/zinc/48/14/26/585481426.db2.gz AZZZTLNQEMHVHR-UHFFFAOYSA-N 0 0 245.322 3.598 20 30 BHEDRN C#CCCCC(=O)Nc1c(C)c(C)ccc1Cl ZINC000765190429 585482331 /nfs/dbraw/zinc/48/23/31/585482331.db2.gz WLPRWOQDNFCTKF-UHFFFAOYSA-N 0 0 249.741 3.699 20 30 BHEDRN C=CCC[C@H](C)OC(=O)C(F)=C1CCCC1 ZINC000765494710 585488197 /nfs/dbraw/zinc/48/81/97/585488197.db2.gz FGXXGFBZTCAPBO-JTQLQIEISA-N 0 0 226.291 3.682 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)C(F)=C1CCCC1 ZINC000765494711 585488285 /nfs/dbraw/zinc/48/82/85/585488285.db2.gz FGXXGFBZTCAPBO-SNVBAGLBSA-N 0 0 226.291 3.682 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)c1cc(CC)ccn1 ZINC000765500046 644664232 /nfs/dbraw/zinc/66/42/32/644664232.db2.gz BHNFEVNYPCUMOJ-GFCCVEGCSA-N 0 0 247.338 3.546 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)c1cc(CC)ccn1 ZINC000765500048 644664258 /nfs/dbraw/zinc/66/42/58/644664258.db2.gz BHNFEVNYPCUMOJ-LBPRGKRZSA-N 0 0 247.338 3.546 20 30 BHEDRN C#CCCCNc1cc(C)nc2c(F)cccc12 ZINC000765507803 585488777 /nfs/dbraw/zinc/48/87/77/585488777.db2.gz DMNIHVXWKXKXGD-UHFFFAOYSA-N 0 0 242.297 3.508 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@H](C)CC(C)C ZINC000765549479 585488938 /nfs/dbraw/zinc/48/89/38/585488938.db2.gz MBJJIODDDUPARH-NEPJUHHUSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@@H](C)CC(C)C ZINC000765549484 585489064 /nfs/dbraw/zinc/48/90/64/585489064.db2.gz MBJJIODDDUPARH-NWDGAFQWSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@@H](C)CC(C)C ZINC000765549843 585489792 /nfs/dbraw/zinc/48/97/92/585489792.db2.gz MBJJIODDDUPARH-RYUDHWBXSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@H](C)CC(C)C ZINC000765549844 585489697 /nfs/dbraw/zinc/48/96/97/585489697.db2.gz MBJJIODDDUPARH-VXGBXAGGSA-N 0 0 212.333 3.567 20 30 BHEDRN CON=C1CCCC[C@@H](c2ccccc2)C1 ZINC000765571590 585489851 /nfs/dbraw/zinc/48/98/51/585489851.db2.gz GNCGMEYPQHZJEM-CYBMUJFWSA-N 0 0 217.312 3.737 20 30 BHEDRN CON=C1CCCC[C@H](c2ccccc2)C1 ZINC000765571591 585489957 /nfs/dbraw/zinc/48/99/57/585489957.db2.gz GNCGMEYPQHZJEM-ZDUSSCGKSA-N 0 0 217.312 3.737 20 30 BHEDRN CCC(CC)[C@H](C)C(=O)O[C@H](C#N)C(C)(C)C ZINC000765630114 584938100 /nfs/dbraw/zinc/93/81/00/584938100.db2.gz PCONZAOQWAGBNC-CMPLNLGQSA-N 0 0 239.359 3.540 20 30 BHEDRN CCC(CC)[C@H](C)C(=O)O[C@@H](C#N)C(C)(C)C ZINC000765630116 584938199 /nfs/dbraw/zinc/93/81/99/584938199.db2.gz PCONZAOQWAGBNC-JQWIXIFHSA-N 0 0 239.359 3.540 20 30 BHEDRN CCC(CC)[C@@H](C)C(=O)O[C@@H](C#N)C(C)(C)C ZINC000765630119 584938082 /nfs/dbraw/zinc/93/80/82/584938082.db2.gz PCONZAOQWAGBNC-PWSUYJOCSA-N 0 0 239.359 3.540 20 30 BHEDRN CCC(CC)[C@@H](C)C(=O)O[C@H](C#N)C(C)(C)C ZINC000765630125 584938087 /nfs/dbraw/zinc/93/80/87/584938087.db2.gz PCONZAOQWAGBNC-ZYHUDNBSSA-N 0 0 239.359 3.540 20 30 BHEDRN CCCCCCCC(=O)O[C@H](C#N)C(C)(C)C ZINC000765630217 585491530 /nfs/dbraw/zinc/49/15/30/585491530.db2.gz MOGFLKIPBIOIBI-GFCCVEGCSA-N 0 0 239.359 3.828 20 30 BHEDRN CCCCCCCC(=O)O[C@@H](C#N)C(C)(C)C ZINC000765630218 585491662 /nfs/dbraw/zinc/49/16/62/585491662.db2.gz MOGFLKIPBIOIBI-LBPRGKRZSA-N 0 0 239.359 3.828 20 30 BHEDRN CC(C)(C)[C@@H](C#N)OC(=O)/C=C\C1CCCCC1 ZINC000765630782 585491649 /nfs/dbraw/zinc/49/16/49/585491649.db2.gz XUGUAMWULNZFNE-ASCRHOAZSA-N 0 0 249.354 3.604 20 30 BHEDRN CC(C)(C)[C@H](C#N)OC(=O)/C=C/C1CCCCC1 ZINC000765630784 585491489 /nfs/dbraw/zinc/49/14/89/585491489.db2.gz XUGUAMWULNZFNE-LXKVQUBZSA-N 0 0 249.354 3.604 20 30 BHEDRN CC(C)(C)[C@@H](C#N)OC(=O)/C=C/C1CCCCC1 ZINC000765630785 585491580 /nfs/dbraw/zinc/49/15/80/585491580.db2.gz XUGUAMWULNZFNE-WTNCMQEWSA-N 0 0 249.354 3.604 20 30 BHEDRN CC(C)(C)[C@H](C#N)OC(=O)/C=C\C1CCCCC1 ZINC000765630788 585491498 /nfs/dbraw/zinc/49/14/98/585491498.db2.gz XUGUAMWULNZFNE-XPSMFNQNSA-N 0 0 249.354 3.604 20 30 BHEDRN C=C[C@H](C)NC(=O)C=C1CCC(C(C)(C)C)CC1 ZINC000765849534 585493360 /nfs/dbraw/zinc/49/33/60/585493360.db2.gz XVTVYRDFKKFDDK-NBFOIZRFSA-N 0 0 249.398 3.840 20 30 BHEDRN C=C[C@@H](C)NC(=O)C=C1CCC(C(C)(C)C)CC1 ZINC000765849536 585493303 /nfs/dbraw/zinc/49/33/03/585493303.db2.gz XVTVYRDFKKFDDK-PUODRLBUSA-N 0 0 249.398 3.840 20 30 BHEDRN C=C(Cl)CN(C)Cc1ccc(C(C)C)cc1 ZINC000765910144 585493706 /nfs/dbraw/zinc/49/37/06/585493706.db2.gz NBWKGCVZEXXYGD-UHFFFAOYSA-N 0 0 237.774 3.994 20 30 BHEDRN C=C(Cl)CN(C)Cc1c(F)cccc1Cl ZINC000765911645 585493743 /nfs/dbraw/zinc/49/37/43/585493743.db2.gz SNOFNZVUZPSGEV-UHFFFAOYSA-N 0 0 248.128 3.663 20 30 BHEDRN C=C(C)CCOC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000765949561 585494340 /nfs/dbraw/zinc/49/43/40/585494340.db2.gz LCWSJHNZVGZTHQ-HNNXBMFYSA-N 0 0 244.334 3.690 20 30 BHEDRN 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ZINC000766434090 585502515 /nfs/dbraw/zinc/50/25/15/585502515.db2.gz KSVZUOWTYJMGSK-UHFFFAOYSA-N 0 0 245.253 3.598 20 30 BHEDRN CCO[C@H]1CCCC1N=Nc1cc(C)cc(C)c1 ZINC000766434816 585502566 /nfs/dbraw/zinc/50/25/66/585502566.db2.gz ZAUMNPYXYJRDDF-HNNXBMFYSA-N 0 0 246.354 3.660 20 30 BHEDRN CCO[C@@H]1CCCC1N=Nc1cc(C)cc(C)c1 ZINC000766434817 585502504 /nfs/dbraw/zinc/50/25/04/585502504.db2.gz ZAUMNPYXYJRDDF-OAHLLOKOSA-N 0 0 246.354 3.660 20 30 BHEDRN CCO[C@H]1CCCC1N=Nc1ccccc1CC ZINC000766434948 585502606 /nfs/dbraw/zinc/50/26/06/585502606.db2.gz TZRRTJQAJUHLGN-HNNXBMFYSA-N 0 0 246.354 3.606 20 30 BHEDRN CCO[C@@H]1CCCC1N=Nc1ccccc1CC ZINC000766434949 585502469 /nfs/dbraw/zinc/50/24/69/585502469.db2.gz TZRRTJQAJUHLGN-OAHLLOKOSA-N 0 0 246.354 3.606 20 30 BHEDRN C#Cc1cccc(NC[C@H]2C[C@H]2c2ccccc2)c1 ZINC000766446493 585502451 /nfs/dbraw/zinc/50/24/51/585502451.db2.gz NPEOLIWFOPHSQT-AEFFLSMTSA-N 0 0 247.341 3.884 20 30 BHEDRN C#Cc1cccc(NC[C@@H]2C[C@@H]2c2ccccc2)c1 ZINC000766446503 585502494 /nfs/dbraw/zinc/50/24/94/585502494.db2.gz NPEOLIWFOPHSQT-FUHWJXTLSA-N 0 0 247.341 3.884 20 30 BHEDRN C#Cc1cccc(NC[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000766446504 585502538 /nfs/dbraw/zinc/50/25/38/585502538.db2.gz NPEOLIWFOPHSQT-SJLPKXTDSA-N 0 0 247.341 3.884 20 30 BHEDRN C#Cc1cccc(NC[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000766446506 585502631 /nfs/dbraw/zinc/50/26/31/585502631.db2.gz NPEOLIWFOPHSQT-WMZOPIPTSA-N 0 0 247.341 3.884 20 30 BHEDRN Cc1ccc(C=NNC2CCCC2)cc1Cl ZINC000766447540 585502482 /nfs/dbraw/zinc/50/24/82/585502482.db2.gz OWPUKEWEATZBAD-UHFFFAOYSA-N 0 0 236.746 3.515 20 30 BHEDRN C1CC1N=NC1CCC(C2CCCCC2)CC1 ZINC000766455560 585502734 /nfs/dbraw/zinc/50/27/34/585502734.db2.gz RWLYKVBKLAAXLH-UHFFFAOYSA-N 0 0 234.387 3.865 20 30 BHEDRN Cc1cc(C=NOC2CCCCC2)ccc1C#N ZINC000766477854 585502906 /nfs/dbraw/zinc/50/29/06/585502906.db2.gz KEAUOFIPLBPNSM-UHFFFAOYSA-N 0 0 242.322 3.550 20 30 BHEDRN C(=NOC1CCCCC1)C1Cc2ccccc2C1 ZINC000766478295 585503081 /nfs/dbraw/zinc/50/30/81/585503081.db2.gz OXTLFVOBTNUTIJ-UHFFFAOYSA-N 0 0 243.350 3.737 20 30 BHEDRN Cc1cc(/C=C/C(=O)c2ccccc2)ccc1C#N ZINC000766484705 585502886 /nfs/dbraw/zinc/50/28/86/585502886.db2.gz PJRCKMUVTLASQY-CSKARUKUSA-N 0 0 247.297 3.763 20 30 BHEDRN Cc1cc(/C=C\C(=O)c2ccccc2)ccc1C#N ZINC000766484706 585502899 /nfs/dbraw/zinc/50/28/99/585502899.db2.gz PJRCKMUVTLASQY-NTMALXAHSA-N 0 0 247.297 3.763 20 30 BHEDRN C#CCCCCNC(=O)C(C)(C)C1CCCCC1 ZINC000766495908 585503194 /nfs/dbraw/zinc/50/31/94/585503194.db2.gz CNQOUCNPULOBRF-UHFFFAOYSA-N 0 0 249.398 3.513 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000766549741 585503890 /nfs/dbraw/zinc/50/38/90/585503890.db2.gz JVWJMSRQBHMUDH-KBPBESRZSA-N 0 0 239.403 3.851 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000766549743 585503820 /nfs/dbraw/zinc/50/38/20/585503820.db2.gz JVWJMSRQBHMUDH-KGLIPLIRSA-N 0 0 239.403 3.851 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000766549745 585503875 /nfs/dbraw/zinc/50/38/75/585503875.db2.gz JVWJMSRQBHMUDH-UONOGXRCSA-N 0 0 239.403 3.851 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000766549746 585503817 /nfs/dbraw/zinc/50/38/17/585503817.db2.gz JVWJMSRQBHMUDH-ZIAGYGMSSA-N 0 0 239.403 3.851 20 30 BHEDRN CON=C1CCC(C)(c2ccccc2)CC1 ZINC000766692419 585505519 /nfs/dbraw/zinc/50/55/19/585505519.db2.gz UZYDGWHEISYKBF-UHFFFAOYSA-N 0 0 217.312 3.521 20 30 BHEDRN CCON=C1CCC(C)(c2ccccc2)CC1 ZINC000766692949 585505508 /nfs/dbraw/zinc/50/55/08/585505508.db2.gz WCTRQLXKCSTMGP-UHFFFAOYSA-N 0 0 231.339 3.911 20 30 BHEDRN CCCNN=C1CCC(C)(c2ccccc2)CC1 ZINC000766695777 585505607 /nfs/dbraw/zinc/50/56/07/585505607.db2.gz MXFGPALPPIVCPB-UHFFFAOYSA-N 0 0 244.382 3.874 20 30 BHEDRN C#CCCCNc1ccccc1OC1CCCC1 ZINC000766722646 585506630 /nfs/dbraw/zinc/50/66/30/585506630.db2.gz DEFDEIWSCNBFBL-UHFFFAOYSA-N 0 0 243.350 3.833 20 30 BHEDRN C#CCCCNc1ccc(OC2CCC2)c(F)c1 ZINC000766725735 712413041 /nfs/dbraw/zinc/41/30/41/712413041.db2.gz PBMLADWWRAEROU-UHFFFAOYSA-N 0 0 247.313 3.582 20 30 BHEDRN C#CCCCNc1ccc(F)cc1OC(C)(C)C ZINC000766725809 712413148 /nfs/dbraw/zinc/41/31/48/712413148.db2.gz PNKAKIGDWRIANU-UHFFFAOYSA-N 0 0 249.329 3.828 20 30 BHEDRN C#CCCCNc1ccc(C)cc1OCCC ZINC000766726490 712413152 /nfs/dbraw/zinc/41/31/52/712413152.db2.gz VWIARLSAUHPRTD-UHFFFAOYSA-N 0 0 231.339 3.609 20 30 BHEDRN C#CCCCNc1ccc(CC(F)(F)F)cc1 ZINC000766727954 644670653 /nfs/dbraw/zinc/67/06/53/644670653.db2.gz JUWURDVAULQNIE-UHFFFAOYSA-N 0 0 241.256 3.617 20 30 BHEDRN C#CCCCNc1ccc2c3c(cccc31)CC2 ZINC000766728862 585506777 /nfs/dbraw/zinc/50/67/77/585506777.db2.gz AEBXGVYUYNNTDC-UHFFFAOYSA-N 0 0 235.330 3.764 20 30 BHEDRN C#CCCCNc1ccc(C(F)(F)F)c(C)c1 ZINC000766729364 585506714 /nfs/dbraw/zinc/50/67/14/585506714.db2.gz OEFLFGWDOGLFHI-UHFFFAOYSA-N 0 0 241.256 3.839 20 30 BHEDRN C#CCCCNc1cccc(OC2CCCC2)c1 ZINC000766729747 585506853 /nfs/dbraw/zinc/50/68/53/585506853.db2.gz HQFVKZLUMMGJSQ-UHFFFAOYSA-N 0 0 243.350 3.833 20 30 BHEDRN C#CCCCNc1ccccc1OC(C)(C)C ZINC000766730207 585506886 /nfs/dbraw/zinc/50/68/86/585506886.db2.gz SNAKXEVVSMXQJX-UHFFFAOYSA-N 0 0 231.339 3.689 20 30 BHEDRN C#CCCCSCCCCC(F)(F)F ZINC000766736745 585507130 /nfs/dbraw/zinc/50/71/30/585507130.db2.gz CSJOBOSYBCECBJ-UHFFFAOYSA-N 0 0 224.291 3.866 20 30 BHEDRN C#CCCCSCc1csc(C2CC2)n1 ZINC000766736750 585507242 /nfs/dbraw/zinc/50/72/42/585507242.db2.gz CTQJNCGBVQYGHA-UHFFFAOYSA-N 0 0 237.393 3.667 20 30 BHEDRN C#CCCCSCCOC1CCCCCC1 ZINC000766736764 585507276 /nfs/dbraw/zinc/50/72/76/585507276.db2.gz DKSPSXASCVJZAD-UHFFFAOYSA-N 0 0 240.412 3.872 20 30 BHEDRN C#CCCCSCCCc1cccc(OC)c1 ZINC000766736771 585507244 /nfs/dbraw/zinc/50/72/44/585507244.db2.gz DSEMWNVUKHUEEY-UHFFFAOYSA-N 0 0 248.391 3.774 20 30 BHEDRN C#CCCCSc1ncnc2sc(C)cc21 ZINC000766737043 584943605 /nfs/dbraw/zinc/94/36/05/584943605.db2.gz HPXOEYOAPZQAND-UHFFFAOYSA-N 0 0 248.376 3.505 20 30 BHEDRN C#CCCCS[C@H](C)c1ccc(C#N)cc1 ZINC000766737138 585507142 /nfs/dbraw/zinc/50/71/42/585507142.db2.gz IYENEFHIMQTGFB-GFCCVEGCSA-N 0 0 229.348 3.766 20 30 BHEDRN C#CCCCS[C@@H](C)c1ccc(C#N)cc1 ZINC000766737175 585507189 /nfs/dbraw/zinc/50/71/89/585507189.db2.gz IYENEFHIMQTGFB-LBPRGKRZSA-N 0 0 229.348 3.766 20 30 BHEDRN C#CCCCSCc1cc(-c2ccco2)on1 ZINC000766737673 584943750 /nfs/dbraw/zinc/94/37/50/584943750.db2.gz KNFYDTZEVNDELK-UHFFFAOYSA-N 0 0 247.319 3.581 20 30 BHEDRN C#CCCCSCCCOc1ccccc1C ZINC000766737674 584943772 /nfs/dbraw/zinc/94/37/72/584943772.db2.gz KNGXIYAHWDRGFW-UHFFFAOYSA-N 0 0 248.391 3.911 20 30 BHEDRN C#CCCCSCc1ccc(F)cc1F ZINC000766737692 585507407 /nfs/dbraw/zinc/50/74/07/585507407.db2.gz LBBFJILOFJAUIP-UHFFFAOYSA-N 0 0 226.291 3.611 20 30 BHEDRN C#CCCCS[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000766737803 585507539 /nfs/dbraw/zinc/50/75/39/585507539.db2.gz MTZSNLJMHQWWTG-LLVKDONJSA-N 0 0 249.335 3.802 20 30 BHEDRN C#CCCCS[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000766737810 585507368 /nfs/dbraw/zinc/50/73/68/585507368.db2.gz MTZSNLJMHQWWTG-NSHDSACASA-N 0 0 249.335 3.802 20 30 BHEDRN C#CCCCSCc1ccccc1OCC ZINC000766737848 585507435 /nfs/dbraw/zinc/50/74/35/585507435.db2.gz FKEUQOWRFCPMPX-UHFFFAOYSA-N 0 0 234.364 3.732 20 30 BHEDRN C#CCCCSCCOc1cccc(C)c1 ZINC000766737867 585507346 /nfs/dbraw/zinc/50/73/46/585507346.db2.gz GNEVUUXCIHZPAC-UHFFFAOYSA-N 0 0 234.364 3.520 20 30 BHEDRN C#CCCCSCCc1ccc(F)c(F)c1 ZINC000766737996 585507338 /nfs/dbraw/zinc/50/73/38/585507338.db2.gz OQEATSAVTLSYPJ-UHFFFAOYSA-N 0 0 240.318 3.654 20 30 BHEDRN C#CCCCSCc1cc(F)ccc1F ZINC000766738479 585507428 /nfs/dbraw/zinc/50/74/28/585507428.db2.gz HNYXNAFHKKTSLZ-UHFFFAOYSA-N 0 0 226.291 3.611 20 30 BHEDRN C#CCCCSCCCOc1ccccc1 ZINC000766738507 585507487 /nfs/dbraw/zinc/50/74/87/585507487.db2.gz INZWEMHWPWDDGJ-UHFFFAOYSA-N 0 0 234.364 3.602 20 30 BHEDRN C#CCCCSCCOc1ccccc1C ZINC000766738889 585507351 /nfs/dbraw/zinc/50/73/51/585507351.db2.gz PKOLUSVANRCHLD-UHFFFAOYSA-N 0 0 234.364 3.520 20 30 BHEDRN C#CCCCSCc1ccc(F)c(F)c1 ZINC000766738892 585507441 /nfs/dbraw/zinc/50/74/41/585507441.db2.gz PMCYQRPAWBJGJS-UHFFFAOYSA-N 0 0 226.291 3.611 20 30 BHEDRN C#CCCCSCc1cccc(F)c1F ZINC000766738928 585507421 /nfs/dbraw/zinc/50/74/21/585507421.db2.gz QDIANRZECNXJMC-UHFFFAOYSA-N 0 0 226.291 3.611 20 30 BHEDRN C#CCCCSCc1csc(CCC)n1 ZINC000766739029 585507415 /nfs/dbraw/zinc/50/74/15/585507415.db2.gz SIAHHPCLJTVLLI-UHFFFAOYSA-N 0 0 239.409 3.742 20 30 BHEDRN C#CCCCSCc1nc2ccccc2s1 ZINC000766739037 585507399 /nfs/dbraw/zinc/50/73/99/585507399.db2.gz SNLCSFVQQFUBPN-UHFFFAOYSA-N 0 0 247.388 3.943 20 30 BHEDRN C#CCCCS[C@H]1CCc2ccc(F)cc21 ZINC000766739165 585507528 /nfs/dbraw/zinc/50/75/28/585507528.db2.gz VOFDJCXKANIRSD-AWEZNQCLSA-N 0 0 234.339 3.960 20 30 BHEDRN C#CCCCS[C@@H]1CCc2ccc(F)cc21 ZINC000766739166 585507365 /nfs/dbraw/zinc/50/73/65/585507365.db2.gz VOFDJCXKANIRSD-CQSZACIVSA-N 0 0 234.339 3.960 20 30 BHEDRN C#CCCCS[C@H](C)c1ccccc1 ZINC000766739460 585507424 /nfs/dbraw/zinc/50/74/24/585507424.db2.gz UWUZMDVFSGEUIT-GFCCVEGCSA-N 0 0 204.338 3.894 20 30 BHEDRN C#CCCCS[C@@H](C)c1ccccc1 ZINC000766739461 585506412 /nfs/dbraw/zinc/50/64/12/585506412.db2.gz UWUZMDVFSGEUIT-LBPRGKRZSA-N 0 0 204.338 3.894 20 30 BHEDRN C#CCCCSC/C=C/c1ccccc1 ZINC000766739542 585507509 /nfs/dbraw/zinc/50/75/09/585507509.db2.gz WKCXZPXXVCMQBP-DHZHZOJOSA-N 0 0 216.349 3.846 20 30 BHEDRN C#CCCCSC/C=C\c1ccccc1 ZINC000766739543 585507529 /nfs/dbraw/zinc/50/75/29/585507529.db2.gz WKCXZPXXVCMQBP-FLIBITNWSA-N 0 0 216.349 3.846 20 30 BHEDRN C#CCCCSCc1ccc(C)cc1 ZINC000766739545 585507455 /nfs/dbraw/zinc/50/74/55/585507455.db2.gz WLDWESRQSNEPSQ-UHFFFAOYSA-N 0 0 204.338 3.642 20 30 BHEDRN C#CCCCSCc1ccn(C2CCCC2)n1 ZINC000766739768 584943867 /nfs/dbraw/zinc/94/38/67/584943867.db2.gz ZQHLQFKKFUWGSI-UHFFFAOYSA-N 0 0 248.395 3.645 20 30 BHEDRN C#CCCCSCc1cccc2cccnc21 ZINC000766740610 585507551 /nfs/dbraw/zinc/50/75/51/585507551.db2.gz DVODFOVOGJQRCG-UHFFFAOYSA-N 0 0 241.359 3.881 20 30 BHEDRN C#CCCCSCc1ccc2ccccc2n1 ZINC000766740867 585507659 /nfs/dbraw/zinc/50/76/59/585507659.db2.gz GKQGKMZXRAKUJZ-UHFFFAOYSA-N 0 0 241.359 3.881 20 30 BHEDRN C#CCCCSCc1ncc(C(C)(C)C)o1 ZINC000766741168 585507607 /nfs/dbraw/zinc/50/76/07/585507607.db2.gz ITADWVXROQNDIT-UHFFFAOYSA-N 0 0 237.368 3.619 20 30 BHEDRN C#CCCCSCCCSCC(C)C ZINC000766741877 585507594 /nfs/dbraw/zinc/50/75/94/585507594.db2.gz OCQJUOSRULUMJZ-UHFFFAOYSA-N 0 0 230.442 3.912 20 30 BHEDRN CCCCCn1ccc(-c2ccc(C#N)cc2)n1 ZINC000766742031 585507746 /nfs/dbraw/zinc/50/77/46/585507746.db2.gz PJISSMKSVSYTFU-UHFFFAOYSA-N 0 0 239.322 3.612 20 30 BHEDRN C#CCCCON=C(C)c1cc2ccccc2o1 ZINC000766742783 585507918 /nfs/dbraw/zinc/50/79/18/585507918.db2.gz BROPAGQOHOFXLH-UHFFFAOYSA-N 0 0 241.290 3.587 20 30 BHEDRN C#CCCCSCCc1ccc(C)cc1 ZINC000766743056 585507884 /nfs/dbraw/zinc/50/78/84/585507884.db2.gz YMEVJWBACJEURP-UHFFFAOYSA-N 0 0 218.365 3.684 20 30 BHEDRN C#CCCCOc1ccc2ccc(OC)cc2c1 ZINC000766744226 585507955 /nfs/dbraw/zinc/50/79/55/585507955.db2.gz UDHYMCXJMABJHB-UHFFFAOYSA-N 0 0 240.302 3.641 20 30 BHEDRN C#CCCCOc1ccc(OC)c2ccccc12 ZINC000766750123 585508175 /nfs/dbraw/zinc/50/81/75/585508175.db2.gz MTERWCMERYNSJR-UHFFFAOYSA-N 0 0 240.302 3.641 20 30 BHEDRN C#CCCCOc1ccccc1SCC ZINC000766752458 585508204 /nfs/dbraw/zinc/50/82/04/585508204.db2.gz PHTUJCJVEJICHV-UHFFFAOYSA-N 0 0 220.337 3.591 20 30 BHEDRN CCc1cnccc1C(=O)/C=C/c1cccs1 ZINC000766771870 585508259 /nfs/dbraw/zinc/50/82/59/585508259.db2.gz KXLRHMVXFIUGRS-AATRIKPKSA-N 0 0 243.331 3.602 20 30 BHEDRN CCc1cnccc1C(=O)/C=C\c1cccs1 ZINC000766771871 585508409 /nfs/dbraw/zinc/50/84/09/585508409.db2.gz KXLRHMVXFIUGRS-WAYWQWQTSA-N 0 0 243.331 3.602 20 30 BHEDRN CCc1cnccc1C(=O)/C=C\c1ccsc1 ZINC000766772006 585508463 /nfs/dbraw/zinc/50/84/63/585508463.db2.gz NVBQLRWGTOGZFK-ARJAWSKDSA-N 0 0 243.331 3.602 20 30 BHEDRN CCc1cnccc1C(=O)/C=C/c1ccsc1 ZINC000766772008 585508386 /nfs/dbraw/zinc/50/83/86/585508386.db2.gz NVBQLRWGTOGZFK-ONEGZZNKSA-N 0 0 243.331 3.602 20 30 BHEDRN CCc1cnccc1C(=O)/C=C/c1ccccc1 ZINC000766772608 585508468 /nfs/dbraw/zinc/50/84/68/585508468.db2.gz WKHKWRPVCMKXSG-CMDGGOBGSA-N 0 0 237.302 3.540 20 30 BHEDRN CCc1cnccc1C(=O)/C=C\c1ccccc1 ZINC000766772609 585508493 /nfs/dbraw/zinc/50/84/93/585508493.db2.gz WKHKWRPVCMKXSG-HJWRWDBZSA-N 0 0 237.302 3.540 20 30 BHEDRN C=C1CCN(C(=O)C(C)(C)C2CCCCC2)CC1 ZINC000766800675 585508333 /nfs/dbraw/zinc/50/83/33/585508333.db2.gz HNMLVGORJFRNOQ-UHFFFAOYSA-N 0 0 249.398 3.772 20 30 BHEDRN C=CC[C@@H](C)NC(=O)C(C)(C)C1CCCCC1 ZINC000766811695 585508464 /nfs/dbraw/zinc/50/84/64/585508464.db2.gz XVEWNVMIXBLLNF-GFCCVEGCSA-N 0 0 237.387 3.674 20 30 BHEDRN C=CC[C@H](C)NC(=O)C(C)(C)C1CCCCC1 ZINC000766811698 585508334 /nfs/dbraw/zinc/50/83/34/585508334.db2.gz XVEWNVMIXBLLNF-LBPRGKRZSA-N 0 0 237.387 3.674 20 30 BHEDRN C#CCCCSCCCCC(C)(C)C#N ZINC000766819208 585508703 /nfs/dbraw/zinc/50/87/03/585508703.db2.gz ARCPRLIIUWTQMV-UHFFFAOYSA-N 0 0 223.385 3.853 20 30 BHEDRN C#CCCCSCCc1ccccc1F ZINC000766822117 585508629 /nfs/dbraw/zinc/50/86/29/585508629.db2.gz UBVMWTYWPCJJDH-UHFFFAOYSA-N 0 0 222.328 3.515 20 30 BHEDRN CCCCCCCC(=O)N(C)c1cnccc1C ZINC000766823018 585508693 /nfs/dbraw/zinc/50/86/93/585508693.db2.gz GAKWPFUKZSEPLZ-UHFFFAOYSA-N 0 0 248.370 3.713 20 30 BHEDRN CCCCCCC[S@](=O)CCC(F)(F)F ZINC000766876773 585509146 /nfs/dbraw/zinc/50/91/46/585509146.db2.gz UBRQURDECAHKRO-HNNXBMFYSA-N 0 0 244.322 3.658 20 30 BHEDRN CCCCCCC[S@@](=O)CCC(F)(F)F ZINC000766876784 585509198 /nfs/dbraw/zinc/50/91/98/585509198.db2.gz UBRQURDECAHKRO-OAHLLOKOSA-N 0 0 244.322 3.658 20 30 BHEDRN C#CCCCN(C)c1cccc2ccccc21 ZINC000766895608 585509925 /nfs/dbraw/zinc/50/99/25/585509925.db2.gz NHYQGTWQOFJCNO-UHFFFAOYSA-N 0 0 223.319 3.689 20 30 BHEDRN C#CCCCN(C)c1ccc2ccccc2c1 ZINC000766895859 585509765 /nfs/dbraw/zinc/50/97/65/585509765.db2.gz TZFKIJJBBGZATJ-UHFFFAOYSA-N 0 0 223.319 3.689 20 30 BHEDRN C#CCCCN1CC[C@@H](C)Sc2ccccc21 ZINC000766907824 585511316 /nfs/dbraw/zinc/51/13/16/585511316.db2.gz SYCAEHZPUAGLCO-CYBMUJFWSA-N 0 0 245.391 3.791 20 30 BHEDRN C#CCCCN1CC[C@H](C)Sc2ccccc21 ZINC000766907825 585511331 /nfs/dbraw/zinc/51/13/31/585511331.db2.gz SYCAEHZPUAGLCO-ZDUSSCGKSA-N 0 0 245.391 3.791 20 30 BHEDRN C#CCCCN(Cc1ccco1)c1ccccc1 ZINC000766921742 585511949 /nfs/dbraw/zinc/51/19/49/585511949.db2.gz YDMWPHPHTXIKNA-UHFFFAOYSA-N 0 0 239.318 3.700 20 30 BHEDRN CC(C)(C#N)CCCCSC1=NCCS1 ZINC000767034272 585512872 /nfs/dbraw/zinc/51/28/72/585512872.db2.gz RCAUXEAQNWBTFU-UHFFFAOYSA-N 0 0 242.413 3.542 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Oc1ccc2c(c1)CCC2 ZINC000767043639 585512962 /nfs/dbraw/zinc/51/29/62/585512962.db2.gz DEUQSKCJSGJLDN-GFCCVEGCSA-N 0 0 244.334 3.683 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Oc1ccc2c(c1)CCC2 ZINC000767043641 585512955 /nfs/dbraw/zinc/51/29/55/585512955.db2.gz DEUQSKCJSGJLDN-LBPRGKRZSA-N 0 0 244.334 3.683 20 30 BHEDRN C#CCCCOC(=O)C(C)(C)C1CCCCC1 ZINC000767043965 585512897 /nfs/dbraw/zinc/51/28/97/585512897.db2.gz WQIXHOHRKKJJAJ-UHFFFAOYSA-N 0 0 236.355 3.550 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Oc1cccc(C)c1C ZINC000767044211 585513101 /nfs/dbraw/zinc/51/31/01/585513101.db2.gz JWSACKXCACKMLT-GFCCVEGCSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Oc1cccc(C)c1C ZINC000767044212 585513028 /nfs/dbraw/zinc/51/30/28/585513028.db2.gz JWSACKXCACKMLT-LBPRGKRZSA-N 0 0 232.323 3.811 20 30 BHEDRN CC#CCCCC(=O)Oc1cc(C)cc(C)c1C ZINC000767044767 585513146 /nfs/dbraw/zinc/51/31/46/585513146.db2.gz AFJINQAFTFPJDI-UHFFFAOYSA-N 0 0 244.334 3.711 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)O[C@H](C)c1ccccc1 ZINC000767045058 585513044 /nfs/dbraw/zinc/51/30/44/585513044.db2.gz GTMLMMPABHEXQI-CHWSQXEVSA-N 0 0 232.323 3.893 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)O[C@@H](C)c1ccccc1 ZINC000767045066 585512997 /nfs/dbraw/zinc/51/29/97/585512997.db2.gz GTMLMMPABHEXQI-OLZOCXBDSA-N 0 0 232.323 3.893 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)O[C@H](C)c1ccccc1 ZINC000767045073 585513079 /nfs/dbraw/zinc/51/30/79/585513079.db2.gz GTMLMMPABHEXQI-QWHCGFSZSA-N 0 0 232.323 3.893 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)O[C@@H](C)c1ccccc1 ZINC000767045077 585513131 /nfs/dbraw/zinc/51/31/31/585513131.db2.gz GTMLMMPABHEXQI-STQMWFEESA-N 0 0 232.323 3.893 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Oc1ccc(C)cc1C ZINC000767045146 585513033 /nfs/dbraw/zinc/51/30/33/585513033.db2.gz HOVJQMKERHTBGK-CYBMUJFWSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Oc1ccc(C)cc1C ZINC000767045153 585513026 /nfs/dbraw/zinc/51/30/26/585513026.db2.gz HOVJQMKERHTBGK-ZDUSSCGKSA-N 0 0 232.323 3.811 20 30 BHEDRN CC#CCCCC(=O)Nc1ccc(CCC)cc1 ZINC000767045233 585513087 /nfs/dbraw/zinc/51/30/87/585513087.db2.gz GDSSFZBCEKQUJZ-UHFFFAOYSA-N 0 0 243.350 3.771 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Oc1cc(C)cc(C)c1 ZINC000767045375 585513162 /nfs/dbraw/zinc/51/31/62/585513162.db2.gz AQRUDSBVVWQZQA-CYBMUJFWSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Oc1cc(C)cc(C)c1 ZINC000767045376 585513120 /nfs/dbraw/zinc/51/31/20/585513120.db2.gz AQRUDSBVVWQZQA-ZDUSSCGKSA-N 0 0 232.323 3.811 20 30 BHEDRN C#CCC(C)(C)C(=O)Oc1cc(C)cc(C)c1C ZINC000767045744 585512993 /nfs/dbraw/zinc/51/29/93/585512993.db2.gz GWGAHYZVNXMIHC-UHFFFAOYSA-N 0 0 244.334 3.567 20 30 BHEDRN CC#CCCCC(=O)Oc1ccc(C(C)C)cc1 ZINC000767046931 585513063 /nfs/dbraw/zinc/51/30/63/585513063.db2.gz ZTMHDNOCOAJWQK-UHFFFAOYSA-N 0 0 244.334 3.909 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Oc1cc(C)ccc1C ZINC000767046987 585512977 /nfs/dbraw/zinc/51/29/77/585512977.db2.gz NMOFFMNGWMYCEJ-CYBMUJFWSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Oc1cc(C)ccc1C ZINC000767046988 585513014 /nfs/dbraw/zinc/51/30/14/585513014.db2.gz NMOFFMNGWMYCEJ-ZDUSSCGKSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Oc1ccc(C)c(C)c1 ZINC000767047022 585513008 /nfs/dbraw/zinc/51/30/08/585513008.db2.gz PIJHJALPFNUBJL-CYBMUJFWSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Oc1ccc(C)c(C)c1 ZINC000767047024 585512967 /nfs/dbraw/zinc/51/29/67/585512967.db2.gz PIJHJALPFNUBJL-ZDUSSCGKSA-N 0 0 232.323 3.811 20 30 BHEDRN CC#CCCCC(=O)Oc1c(C)ccc(C)c1C ZINC000767047937 585513115 /nfs/dbraw/zinc/51/31/15/585513115.db2.gz WWENCMLMKVQFJA-UHFFFAOYSA-N 0 0 244.334 3.711 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Oc1ccc(CC)cc1 ZINC000767048118 585513150 /nfs/dbraw/zinc/51/31/50/585513150.db2.gz ZWOOTSXHTJVZKZ-GFCCVEGCSA-N 0 0 232.323 3.757 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Oc1ccc(CC)cc1 ZINC000767048120 585512981 /nfs/dbraw/zinc/51/29/81/585512981.db2.gz ZWOOTSXHTJVZKZ-LBPRGKRZSA-N 0 0 232.323 3.757 20 30 BHEDRN C#CCC(C)(C)C(=O)Nc1ccc(CCC)cc1 ZINC000767048189 585513081 /nfs/dbraw/zinc/51/30/81/585513081.db2.gz UEULYTKXNOVZBS-UHFFFAOYSA-N 0 0 243.350 3.627 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Oc1cccc(Cl)c1 ZINC000767049584 585513117 /nfs/dbraw/zinc/51/31/17/585513117.db2.gz ARHXMFRINWEAAA-JTQLQIEISA-N 0 0 238.714 3.848 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Oc1cccc(Cl)c1 ZINC000767049585 585513005 /nfs/dbraw/zinc/51/30/05/585513005.db2.gz ARHXMFRINWEAAA-SNVBAGLBSA-N 0 0 238.714 3.848 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)OCCCc1ccccc1 ZINC000767049611 585513011 /nfs/dbraw/zinc/51/30/11/585513011.db2.gz CIAYLAFTJSVAKN-AWEZNQCLSA-N 0 0 246.350 3.765 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)OCCCc1ccccc1 ZINC000767049612 585513137 /nfs/dbraw/zinc/51/31/37/585513137.db2.gz CIAYLAFTJSVAKN-CQSZACIVSA-N 0 0 246.350 3.765 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Oc1ccc(Cl)cc1 ZINC000767049644 585513164 /nfs/dbraw/zinc/51/31/64/585513164.db2.gz GCFYREMJOVEOJT-JTQLQIEISA-N 0 0 238.714 3.848 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Oc1ccc(Cl)cc1 ZINC000767049645 585513007 /nfs/dbraw/zinc/51/30/07/585513007.db2.gz GCFYREMJOVEOJT-SNVBAGLBSA-N 0 0 238.714 3.848 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Oc1c(C)cccc1C ZINC000767050050 585513139 /nfs/dbraw/zinc/51/31/39/585513139.db2.gz YCLNUDSKYCSLQP-CYBMUJFWSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Oc1c(C)cccc1C ZINC000767050051 585513071 /nfs/dbraw/zinc/51/30/71/585513071.db2.gz YCLNUDSKYCSLQP-ZDUSSCGKSA-N 0 0 232.323 3.811 20 30 BHEDRN CC#CCCCC(=O)N(CC)c1ccc(C)cc1 ZINC000767057166 585513281 /nfs/dbraw/zinc/51/32/81/585513281.db2.gz FYLKIGDAMISZLW-UHFFFAOYSA-N 0 0 243.350 3.542 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(C)c1ccc(C)c(C)c1 ZINC000767057276 585513218 /nfs/dbraw/zinc/51/32/18/585513218.db2.gz HZOZSNFQDBYPLX-AWEZNQCLSA-N 0 0 245.366 3.869 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(C)c1ccc(C)c(C)c1 ZINC000767057277 585513345 /nfs/dbraw/zinc/51/33/45/585513345.db2.gz HZOZSNFQDBYPLX-CQSZACIVSA-N 0 0 245.366 3.869 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(CC)c1ccc(C)cc1 ZINC000767057425 585513181 /nfs/dbraw/zinc/51/31/81/585513181.db2.gz LFSPSXJLSOILNL-AWEZNQCLSA-N 0 0 245.366 3.950 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(CC)c1ccc(C)cc1 ZINC000767057426 585513337 /nfs/dbraw/zinc/51/33/37/585513337.db2.gz LFSPSXJLSOILNL-CQSZACIVSA-N 0 0 245.366 3.950 20 30 BHEDRN CC#CCCCC(=O)NCC1CCCCCCC1 ZINC000767058415 585513275 /nfs/dbraw/zinc/51/32/75/585513275.db2.gz TVJMYKRSCVOXMD-UHFFFAOYSA-N 0 0 249.398 3.657 20 30 BHEDRN C#CCC(C)(C)C(=O)N[C@@H](CC)C1CCCCC1 ZINC000767079577 585513521 /nfs/dbraw/zinc/51/35/21/585513521.db2.gz SXURHASIGKACSK-AWEZNQCLSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCC(C)(C)C(=O)N[C@H](CC)C1CCCCC1 ZINC000767079579 585513384 /nfs/dbraw/zinc/51/33/84/585513384.db2.gz SXURHASIGKACSK-CQSZACIVSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCC(C)(C)C(=O)O[C@H](C)c1cccc(C)c1 ZINC000767090526 585513849 /nfs/dbraw/zinc/51/38/49/585513849.db2.gz AJTXJWZVDCGHHU-CYBMUJFWSA-N 0 0 244.334 3.649 20 30 BHEDRN C#CCC(C)(C)C(=O)O[C@@H](C)c1cccc(C)c1 ZINC000767090528 585513909 /nfs/dbraw/zinc/51/39/09/585513909.db2.gz AJTXJWZVDCGHHU-ZDUSSCGKSA-N 0 0 244.334 3.649 20 30 BHEDRN CC#CCCCC(=O)O[C@@H](C)c1cccc(C)c1 ZINC000767091902 585513939 /nfs/dbraw/zinc/51/39/39/585513939.db2.gz QQXRJYZTVAQSPA-AWEZNQCLSA-N 0 0 244.334 3.793 20 30 BHEDRN CC#CCCCC(=O)O[C@H](C)c1cccc(C)c1 ZINC000767091903 585513942 /nfs/dbraw/zinc/51/39/42/585513942.db2.gz QQXRJYZTVAQSPA-CQSZACIVSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCC(C)(C)C(=O)NCCCCCCCC ZINC000767096978 585514077 /nfs/dbraw/zinc/51/40/77/585514077.db2.gz GDEKWKAMAIGYIA-UHFFFAOYSA-N 0 0 237.387 3.513 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Oc1ccc(F)c(C)c1 ZINC000767099624 585514287 /nfs/dbraw/zinc/51/42/87/585514287.db2.gz IHIVMESHGKDQNC-LLVKDONJSA-N 0 0 236.286 3.642 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Oc1ccc(F)c(C)c1 ZINC000767099626 585514174 /nfs/dbraw/zinc/51/41/74/585514174.db2.gz IHIVMESHGKDQNC-NSHDSACASA-N 0 0 236.286 3.642 20 30 BHEDRN CC#CCCCC(=O)O[C@@H](C)c1ccccc1C ZINC000767099670 585514303 /nfs/dbraw/zinc/51/43/03/585514303.db2.gz JHGKOJRQBAHHSN-AWEZNQCLSA-N 0 0 244.334 3.793 20 30 BHEDRN CC#CCCCC(=O)O[C@H](C)c1ccccc1C ZINC000767099671 585514231 /nfs/dbraw/zinc/51/42/31/585514231.db2.gz JHGKOJRQBAHHSN-CQSZACIVSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCC(C)(C)C(=O)O[C@H](C)c1ccccc1C ZINC000767100115 585514253 /nfs/dbraw/zinc/51/42/53/585514253.db2.gz MZQQHRQYHYUXCN-CYBMUJFWSA-N 0 0 244.334 3.649 20 30 BHEDRN C#CCC(C)(C)C(=O)O[C@@H](C)c1ccccc1C ZINC000767100116 585514286 /nfs/dbraw/zinc/51/42/86/585514286.db2.gz MZQQHRQYHYUXCN-ZDUSSCGKSA-N 0 0 244.334 3.649 20 30 BHEDRN C#CCC(C)(C)C(=O)NCC1(CC)CCCCC1 ZINC000767101175 585514331 /nfs/dbraw/zinc/51/43/31/585514331.db2.gz RMYNIHYPLLHTGC-UHFFFAOYSA-N 0 0 249.398 3.513 20 30 BHEDRN CC#CCCCC(=O)Oc1ccc(CCC)cc1 ZINC000767101742 585513681 /nfs/dbraw/zinc/51/36/81/585513681.db2.gz GBOXSUVKIIUQPS-UHFFFAOYSA-N 0 0 244.334 3.738 20 30 BHEDRN CC#CCCCC(=O)O[C@@H](C)c1ccc(C)cc1 ZINC000767102286 585514257 /nfs/dbraw/zinc/51/42/57/585514257.db2.gz ZZXQSDCZXTVYHH-AWEZNQCLSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCC(C)(C)C(=O)Nc1ccc(C2CC2)cc1 ZINC000767102506 585514289 /nfs/dbraw/zinc/51/42/89/585514289.db2.gz KNZUDSQJVUQZAX-UHFFFAOYSA-N 0 0 241.334 3.552 20 30 BHEDRN C#CCC(C)(C)C(=O)Oc1ccc(CCC)cc1 ZINC000767102685 585514252 /nfs/dbraw/zinc/51/42/52/585514252.db2.gz LNKRILJTCXCUOF-UHFFFAOYSA-N 0 0 244.334 3.594 20 30 BHEDRN C#CCC(C)(C)C(=O)Nc1ccc(CC)c(C)c1 ZINC000767104041 585514160 /nfs/dbraw/zinc/51/41/60/585514160.db2.gz YHPADZVETQYWNW-UHFFFAOYSA-N 0 0 243.350 3.545 20 30 BHEDRN C#CCCCSc1nc(-c2ccccc2)co1 ZINC000767108453 585514161 /nfs/dbraw/zinc/51/41/61/585514161.db2.gz GROQDNTZJTXSLG-UHFFFAOYSA-N 0 0 243.331 3.847 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)Oc1ccc(F)cc1C ZINC000767115238 585514621 /nfs/dbraw/zinc/51/46/21/585514621.db2.gz SQKDKIUHRVOTLW-LLVKDONJSA-N 0 0 236.286 3.642 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)Oc1ccc(F)cc1C ZINC000767115239 585514381 /nfs/dbraw/zinc/51/43/81/585514381.db2.gz SQKDKIUHRVOTLW-NSHDSACASA-N 0 0 236.286 3.642 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)OCc1ccccc1C ZINC000767116233 585514452 /nfs/dbraw/zinc/51/44/52/585514452.db2.gz DYNOKLNQAVTCFK-CYBMUJFWSA-N 0 0 232.323 3.641 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)OCc1ccccc1C ZINC000767116235 585514608 /nfs/dbraw/zinc/51/46/08/585514608.db2.gz DYNOKLNQAVTCFK-ZDUSSCGKSA-N 0 0 232.323 3.641 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)OCc1ccc(C)cc1 ZINC000767119291 585514369 /nfs/dbraw/zinc/51/43/69/585514369.db2.gz ZYLRAGMPWJCWPY-CYBMUJFWSA-N 0 0 232.323 3.641 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)OCc1ccc(C)cc1 ZINC000767119292 585514578 /nfs/dbraw/zinc/51/45/78/585514578.db2.gz ZYLRAGMPWJCWPY-ZDUSSCGKSA-N 0 0 232.323 3.641 20 30 BHEDRN CCCCc1ccc(N(C)CC2(C#N)CC2)cc1 ZINC000767120932 585514406 /nfs/dbraw/zinc/51/44/06/585514406.db2.gz XSUCTTCNPBOAHY-UHFFFAOYSA-N 0 0 242.366 3.769 20 30 BHEDRN CC#CCCCC(=O)O[C@@H](CC)c1ccccc1 ZINC000767121199 585514486 /nfs/dbraw/zinc/51/44/86/585514486.db2.gz AFNVQFIXKIBXBY-HNNXBMFYSA-N 0 0 244.334 3.875 20 30 BHEDRN CC#CCCCC(=O)O[C@H](CC)c1ccccc1 ZINC000767121201 585514453 /nfs/dbraw/zinc/51/44/53/585514453.db2.gz AFNVQFIXKIBXBY-OAHLLOKOSA-N 0 0 244.334 3.875 20 30 BHEDRN C#CCC(C)(C)C(=O)O[C@@H](CC)c1ccccc1 ZINC000767121289 585514463 /nfs/dbraw/zinc/51/44/63/585514463.db2.gz CWGFHSOYHFPHGK-AWEZNQCLSA-N 0 0 244.334 3.730 20 30 BHEDRN C#CCC(C)(C)C(=O)O[C@H](CC)c1ccccc1 ZINC000767121291 585514537 /nfs/dbraw/zinc/51/45/37/585514537.db2.gz CWGFHSOYHFPHGK-CQSZACIVSA-N 0 0 244.334 3.730 20 30 BHEDRN C#CCCCCCC(=O)N(CC1CCC1)C(C)C ZINC000767128380 585514741 /nfs/dbraw/zinc/51/47/41/585514741.db2.gz WMQXTNIUFASUAK-UHFFFAOYSA-N 0 0 249.398 3.607 20 30 BHEDRN CCCCCCCCCC(=O)Nc1cncnc1 ZINC000767151466 585514959 /nfs/dbraw/zinc/51/49/59/585514959.db2.gz SUMPTTJVMFVJBG-UHFFFAOYSA-N 0 0 249.358 3.556 20 30 BHEDRN C#CCCCOc1ccc(C2CCC2)cc1 ZINC000767151796 585514901 /nfs/dbraw/zinc/51/49/01/585514901.db2.gz VNFRJGSROPGGIK-UHFFFAOYSA-N 0 0 214.308 3.746 20 30 BHEDRN C=CC[C@@H]1N(C(=O)/C=C/C=C/C)CCCC1(C)C ZINC000767218313 585515556 /nfs/dbraw/zinc/51/55/56/585515556.db2.gz FQVJZCKKFCEFBY-INBKCFPLSA-N 0 0 247.382 3.712 20 30 BHEDRN C=CC[C@H]1N(C(=O)/C=C/C=C\C)CCCC1(C)C ZINC000767218314 585515622 /nfs/dbraw/zinc/51/56/22/585515622.db2.gz FQVJZCKKFCEFBY-NXYZQBJOSA-N 0 0 247.382 3.712 20 30 BHEDRN C=CC[C@@H]1N(C(=O)/C=C/C=C\C)CCCC1(C)C ZINC000767218316 585515643 /nfs/dbraw/zinc/51/56/43/585515643.db2.gz FQVJZCKKFCEFBY-PGNFZCLQSA-N 0 0 247.382 3.712 20 30 BHEDRN C=CC[C@H]1N(C(=O)/C=C/C=C/C)CCCC1(C)C ZINC000767218317 585515670 /nfs/dbraw/zinc/51/56/70/585515670.db2.gz FQVJZCKKFCEFBY-YLPBVIOASA-N 0 0 247.382 3.712 20 30 BHEDRN C=CC[C@H]1N(C(=O)/C=C/C2CC2)CCCC1(C)C ZINC000767218752 585515678 /nfs/dbraw/zinc/51/56/78/585515678.db2.gz KNSSGDHZMPYKQW-ATWMFIQVSA-N 0 0 247.382 3.546 20 30 BHEDRN C=CC[C@H]1N(C(=O)/C=C\C2CC2)CCCC1(C)C ZINC000767218755 585515484 /nfs/dbraw/zinc/51/54/84/585515484.db2.gz KNSSGDHZMPYKQW-CFYYFVFUSA-N 0 0 247.382 3.546 20 30 BHEDRN C=CC[C@@H]1N(C(=O)/C=C\C2CC2)CCCC1(C)C ZINC000767218756 585515536 /nfs/dbraw/zinc/51/55/36/585515536.db2.gz KNSSGDHZMPYKQW-CMUBDUJZSA-N 0 0 247.382 3.546 20 30 BHEDRN C=CC[C@@H]1N(C(=O)/C=C/C2CC2)CCCC1(C)C ZINC000767218759 642715773 /nfs/dbraw/zinc/71/57/73/642715773.db2.gz KNSSGDHZMPYKQW-HBWSCVEGSA-N 0 0 247.382 3.546 20 30 BHEDRN C=CC[C@H]1N(C(=O)C=C(C)C)CCCC1(C)C ZINC000767218792 585515675 /nfs/dbraw/zinc/51/56/75/585515675.db2.gz KYBKWKDZDRSGAG-CYBMUJFWSA-N 0 0 235.371 3.546 20 30 BHEDRN C=CC[C@@H]1N(C(=O)C=C(C)C)CCCC1(C)C ZINC000767218793 585515582 /nfs/dbraw/zinc/51/55/82/585515582.db2.gz KYBKWKDZDRSGAG-ZDUSSCGKSA-N 0 0 235.371 3.546 20 30 BHEDRN C=CC[C@H]1N(C(=O)/C(C)=C/C)CCCC1(C)C ZINC000767219557 585515552 /nfs/dbraw/zinc/51/55/52/585515552.db2.gz UJJQFXKEARIMFR-BWODNOAJSA-N 0 0 235.371 3.546 20 30 BHEDRN C=CC[C@H]1N(C(=O)/C(C)=C\C)CCCC1(C)C ZINC000767219558 585515654 /nfs/dbraw/zinc/51/56/54/585515654.db2.gz UJJQFXKEARIMFR-FFXRNRBCSA-N 0 0 235.371 3.546 20 30 BHEDRN C=CC[C@@H]1N(C(=O)/C(C)=C\C)CCCC1(C)C ZINC000767219559 585515620 /nfs/dbraw/zinc/51/56/20/585515620.db2.gz UJJQFXKEARIMFR-OTAKNEKHSA-N 0 0 235.371 3.546 20 30 BHEDRN C=CC[C@@H]1N(C(=O)/C(C)=C/C)CCCC1(C)C ZINC000767219560 585515564 /nfs/dbraw/zinc/51/55/64/585515564.db2.gz UJJQFXKEARIMFR-WHGQRRHOSA-N 0 0 235.371 3.546 20 30 BHEDRN C=CCCC(=O)Oc1ccc(C2CCC2)cc1 ZINC000767226167 585515609 /nfs/dbraw/zinc/51/56/09/585515609.db2.gz MELOUNYQQWHAND-UHFFFAOYSA-N 0 0 230.307 3.826 20 30 BHEDRN C=CC[C@@H]1N(C(=O)C(C)=C(C)C)CCCC1(C)C ZINC000767230190 585515510 /nfs/dbraw/zinc/51/55/10/585515510.db2.gz WNQIJWDYWSDMLT-AWEZNQCLSA-N 0 0 249.398 3.936 20 30 BHEDRN C=CC[C@H]1N(C(=O)C(C)=C(C)C)CCCC1(C)C ZINC000767230191 585515637 /nfs/dbraw/zinc/51/56/37/585515637.db2.gz WNQIJWDYWSDMLT-CQSZACIVSA-N 0 0 249.398 3.936 20 30 BHEDRN C=CC[C@@H]1N(C(=O)C=C2CCC2)CCCC1(C)C ZINC000767230831 585515509 /nfs/dbraw/zinc/51/55/09/585515509.db2.gz ZREAKDKNEWRSOY-AWEZNQCLSA-N 0 0 247.382 3.690 20 30 BHEDRN C=CC[C@H]1N(C(=O)C=C2CCC2)CCCC1(C)C ZINC000767230860 585515621 /nfs/dbraw/zinc/51/56/21/585515621.db2.gz ZREAKDKNEWRSOY-CQSZACIVSA-N 0 0 247.382 3.690 20 30 BHEDRN C#C[C@H](C)N(C)C(=O)CCCCCCCCC ZINC000767254405 585515833 /nfs/dbraw/zinc/51/58/33/585515833.db2.gz GVDOQTCCDXUQJS-AWEZNQCLSA-N 0 0 237.387 3.607 20 30 BHEDRN C#C[C@@H](C)N(C)C(=O)CCCCCCCCC ZINC000767254406 585515716 /nfs/dbraw/zinc/51/57/16/585515716.db2.gz GVDOQTCCDXUQJS-CQSZACIVSA-N 0 0 237.387 3.607 20 30 BHEDRN CCCCCCCCNc1nnc(C2CC2)o1 ZINC000767307622 584944765 /nfs/dbraw/zinc/94/47/65/584944765.db2.gz GNPYZGZJGYWYOQ-UHFFFAOYSA-N 0 0 237.347 3.719 20 30 BHEDRN C#CC[C@@H](Nc1ncc(C)s1)c1ccccc1 ZINC000767308207 585516347 /nfs/dbraw/zinc/51/63/47/585516347.db2.gz KODYGDVVRMXGFC-CYBMUJFWSA-N 0 0 242.347 3.628 20 30 BHEDRN C#CC[C@H](Nc1ncc(C)s1)c1ccccc1 ZINC000767308224 585516390 /nfs/dbraw/zinc/51/63/90/585516390.db2.gz KODYGDVVRMXGFC-ZDUSSCGKSA-N 0 0 242.347 3.628 20 30 BHEDRN CC(N=Nc1cccc(C#N)c1)C1CCCCC1 ZINC000767335362 585516833 /nfs/dbraw/zinc/51/68/33/585516833.db2.gz BUBCGRRJSJMTNH-UHFFFAOYSA-N 0 0 241.338 3.926 20 30 BHEDRN Cc1ccc(C)c(C=NNc2cccc(C#N)c2)c1 ZINC000767335897 585516853 /nfs/dbraw/zinc/51/68/53/585516853.db2.gz IDYHBHVZRXMYDF-UHFFFAOYSA-N 0 0 249.317 3.621 20 30 BHEDRN CC(=NNc1cccc(C#N)c1)c1ccc(C)cc1 ZINC000767335984 585516843 /nfs/dbraw/zinc/51/68/43/585516843.db2.gz KRXAXMWILGZWRR-UHFFFAOYSA-N 0 0 249.317 3.703 20 30 BHEDRN CC(=NNc1cccc(C#N)c1)c1ccccc1C ZINC000767335988 585516532 /nfs/dbraw/zinc/51/65/32/585516532.db2.gz KUSDKNUDRAMTOC-UHFFFAOYSA-N 0 0 249.317 3.703 20 30 BHEDRN CCC(=NNc1cccc(C#N)c1)c1ccccc1 ZINC000767336421 585516829 /nfs/dbraw/zinc/51/68/29/585516829.db2.gz MRVJELIZFQRJPY-UHFFFAOYSA-N 0 0 249.317 3.784 20 30 BHEDRN CC(=NNc1cccc(C#N)c1)c1cccc(C)c1 ZINC000767336498 585516835 /nfs/dbraw/zinc/51/68/35/585516835.db2.gz OQARCDGKIMFVNQ-UHFFFAOYSA-N 0 0 249.317 3.703 20 30 BHEDRN N#Cc1cccc(N=NC=CCc2ccccc2)c1 ZINC000767336542 644674708 /nfs/dbraw/zinc/67/47/08/644674708.db2.gz RCXIAAUBBQVBBJ-BVYRLRBXSA-N 0 0 247.301 3.669 20 30 BHEDRN N#Cc1cccc(N=NC=CCc2ccccc2)c1 ZINC000767336543 644674160 /nfs/dbraw/zinc/67/41/60/644674160.db2.gz RCXIAAUBBQVBBJ-KBPSOVHSSA-N 0 0 247.301 3.669 20 30 BHEDRN CCc1ccc(C=NNc2cccc(C#N)c2)cc1 ZINC000767336797 644674599 /nfs/dbraw/zinc/67/45/99/644674599.db2.gz UYDVXWZSOZVNGS-UHFFFAOYSA-N 0 0 249.317 3.567 20 30 BHEDRN N#Cc1cccc(N=NCC2CCCCC2)c1 ZINC000767336974 644673691 /nfs/dbraw/zinc/67/36/91/644673691.db2.gz YATOJGHELQWMSL-UHFFFAOYSA-N 0 0 227.311 3.536 20 30 BHEDRN CC(=NNc1cccc(C)c1)c1cncc(C)c1 ZINC000767358486 585517848 /nfs/dbraw/zinc/51/78/48/585517848.db2.gz KSJPXHZVNPPVHO-UHFFFAOYSA-N 0 0 239.322 3.535 20 30 BHEDRN CC(=NNc1ccc(C)cc1)c1cncc(C)c1 ZINC000767361195 585517706 /nfs/dbraw/zinc/51/77/06/585517706.db2.gz WLCUXYNHSIZBAI-UHFFFAOYSA-N 0 0 239.322 3.535 20 30 BHEDRN CCCCNN=Cc1ccccc1OCCCC ZINC000767371457 585518065 /nfs/dbraw/zinc/51/80/65/585518065.db2.gz ZHYWLTLVHIXIKQ-UHFFFAOYSA-N 0 0 248.370 3.589 20 30 BHEDRN CCC(CC)NN=C1CC[C@@H](C)[C@H](C)C1 ZINC000767378065 585518919 /nfs/dbraw/zinc/51/89/19/585518919.db2.gz DUIWJPXHUWUVPV-GHMZBOCLSA-N 0 0 210.365 3.577 20 30 BHEDRN CCC(CC)NN=C1CC[C@@H](C)[C@@H](C)C1 ZINC000767378067 585518848 /nfs/dbraw/zinc/51/88/48/585518848.db2.gz DUIWJPXHUWUVPV-MNOVXSKESA-N 0 0 210.365 3.577 20 30 BHEDRN CCC(CC)NN=C1CC[C@H](C)[C@@H](C)C1 ZINC000767378069 585518747 /nfs/dbraw/zinc/51/87/47/585518747.db2.gz DUIWJPXHUWUVPV-QWRGUYRKSA-N 0 0 210.365 3.577 20 30 BHEDRN CCC(CC)NN=C1CC[C@H](C)[C@H](C)C1 ZINC000767378070 585518804 /nfs/dbraw/zinc/51/88/04/585518804.db2.gz DUIWJPXHUWUVPV-WDEREUQCSA-N 0 0 210.365 3.577 20 30 BHEDRN Cc1ccc(N=NC2CC[C@@H](C)[C@@H](C)C2)nc1 ZINC000767378140 584944838 /nfs/dbraw/zinc/94/48/38/584944838.db2.gz PPJMCEBTOQMRHR-NEPJUHHUSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccc(N=NC2CC[C@H](C)[C@H](C)C2)nc1 ZINC000767378142 584944839 /nfs/dbraw/zinc/94/48/39/584944839.db2.gz PPJMCEBTOQMRHR-NWDGAFQWSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccc(N=NC2CC[C@H](C)[C@@H](C)C2)nc1 ZINC000767378145 584944837 /nfs/dbraw/zinc/94/48/37/584944837.db2.gz PPJMCEBTOQMRHR-RYUDHWBXSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccc(N=NC2CC[C@@H](C)[C@H](C)C2)nc1 ZINC000767378149 584944841 /nfs/dbraw/zinc/94/48/41/584944841.db2.gz PPJMCEBTOQMRHR-VXGBXAGGSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cc(Cl)ccc1C=NNC1CCCC1 ZINC000767379520 585518697 /nfs/dbraw/zinc/51/86/97/585518697.db2.gz YLIMGEOJWLPOIP-UHFFFAOYSA-N 0 0 236.746 3.515 20 30 BHEDRN CCC(CC)NN=Cc1ccc(Cl)cc1C ZINC000767381456 585517363 /nfs/dbraw/zinc/51/73/63/585517363.db2.gz XYJZSHNSFQYQKO-UHFFFAOYSA-N 0 0 238.762 3.761 20 30 BHEDRN Cc1ccnc(N=NC2CC[C@@H](C)[C@@H](C)C2)c1 ZINC000767385371 585518814 /nfs/dbraw/zinc/51/88/14/585518814.db2.gz NABWVAHOYFASTP-NEPJUHHUSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccnc(N=NC2CC[C@H](C)[C@H](C)C2)c1 ZINC000767385372 585518748 /nfs/dbraw/zinc/51/87/48/585518748.db2.gz NABWVAHOYFASTP-NWDGAFQWSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccnc(N=NC2CC[C@H](C)[C@@H](C)C2)c1 ZINC000767385373 585518735 /nfs/dbraw/zinc/51/87/35/585518735.db2.gz NABWVAHOYFASTP-RYUDHWBXSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccnc(N=NC2CC[C@@H](C)[C@H](C)C2)c1 ZINC000767385374 585518825 /nfs/dbraw/zinc/51/88/25/585518825.db2.gz NABWVAHOYFASTP-VXGBXAGGSA-N 0 0 231.343 3.614 20 30 BHEDRN C[C@@H]1CCC(=NOC2CCCC2)C[C@H]1C ZINC000767385779 585518750 /nfs/dbraw/zinc/51/87/50/585518750.db2.gz MNYDBOVMPPTGHQ-GHMZBOCLSA-N 0 0 209.333 3.758 20 30 BHEDRN C[C@@H]1CCC(=NOC2CCCC2)C[C@@H]1C ZINC000767385782 585518759 /nfs/dbraw/zinc/51/87/59/585518759.db2.gz MNYDBOVMPPTGHQ-MNOVXSKESA-N 0 0 209.333 3.758 20 30 BHEDRN C[C@H]1CCC(=NOC2CCCC2)C[C@@H]1C ZINC000767385789 585518736 /nfs/dbraw/zinc/51/87/36/585518736.db2.gz MNYDBOVMPPTGHQ-QWRGUYRKSA-N 0 0 209.333 3.758 20 30 BHEDRN C[C@@H]1CC(=NOC2CCCC2)CC[C@@H]1C ZINC000767385791 585518768 /nfs/dbraw/zinc/51/87/68/585518768.db2.gz MNYDBOVMPPTGHQ-WDEREUQCSA-N 0 0 209.333 3.758 20 30 BHEDRN CCCCCOc1ccc(C=NOCC)cc1 ZINC000767460507 585520483 /nfs/dbraw/zinc/52/04/83/585520483.db2.gz DIOPMPWONXHXSO-UHFFFAOYSA-N 0 0 235.327 3.626 20 30 BHEDRN CCON=C(C)c1ccc2ccccc2c1 ZINC000767461502 585520461 /nfs/dbraw/zinc/52/04/61/585520461.db2.gz BYOWDWQPAZXYNQ-UHFFFAOYSA-N 0 0 213.280 3.600 20 30 BHEDRN CCON=C(C)c1ccc(Cl)c(Cl)c1 ZINC000767461541 585520551 /nfs/dbraw/zinc/52/05/51/585520551.db2.gz CPWVAWOYPBWDJY-UHFFFAOYSA-N 0 0 232.110 3.754 20 30 BHEDRN CCON=CC(c1ccccc1)c1ccccc1 ZINC000767461556 585520508 /nfs/dbraw/zinc/52/05/08/585520508.db2.gz DGMJXSPLZNQZSV-UHFFFAOYSA-N 0 0 239.318 3.841 20 30 BHEDRN CCON=Cc1cc2cccc(C)c2nc1Cl ZINC000767461884 585520458 /nfs/dbraw/zinc/52/04/58/585520458.db2.gz KUBYHWYMZRIPJR-UHFFFAOYSA-N 0 0 248.713 3.567 20 30 BHEDRN CCON=C(C)c1ccc(C(C)(C)C)cc1 ZINC000767461934 585520511 /nfs/dbraw/zinc/52/05/11/585520511.db2.gz LSGYZSIGOFYVEI-UHFFFAOYSA-N 0 0 219.328 3.745 20 30 BHEDRN CCON=C(C)c1cc(Cl)ccc1Cl ZINC000767462210 585520454 /nfs/dbraw/zinc/52/04/54/585520454.db2.gz HOSLVFKONQKPDN-UHFFFAOYSA-N 0 0 232.110 3.754 20 30 BHEDRN CCON=Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC000767462757 585520447 /nfs/dbraw/zinc/52/04/47/585520447.db2.gz OPQJSHSTDAKENN-UHFFFAOYSA-N 0 0 249.697 3.970 20 30 BHEDRN CCON=Cc1ccc(-c2ccccc2Cl)o1 ZINC000767462777 585520615 /nfs/dbraw/zinc/52/06/15/585520615.db2.gz PHJDXEZCXTYERB-UHFFFAOYSA-N 0 0 249.697 3.970 20 30 BHEDRN CCON=C(C)c1ccc(OC)c2ccccc12 ZINC000767462941 585520677 /nfs/dbraw/zinc/52/06/77/585520677.db2.gz DATITOUIZXCEJQ-UHFFFAOYSA-N 0 0 243.306 3.609 20 30 BHEDRN CCON=C(C)C12CC3CC(CC(C3)C1)C2 ZINC000767463207 585520457 /nfs/dbraw/zinc/52/04/57/585520457.db2.gz 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C=C(C)C[C@H](C)C(=O)OC[C@@H](C)c1ccccc1 ZINC000767698940 585525127 /nfs/dbraw/zinc/52/51/27/585525127.db2.gz JJJZGPUPNRGMJI-UONOGXRCSA-N 0 0 246.350 3.936 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)OC[C@@H](C)c1ccccc1 ZINC000767698942 585525076 /nfs/dbraw/zinc/52/50/76/585525076.db2.gz JJJZGPUPNRGMJI-ZIAGYGMSSA-N 0 0 246.350 3.936 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000767704246 585525155 /nfs/dbraw/zinc/52/51/55/585525155.db2.gz XAOBCKIQWJTDGC-GXTWGEPZSA-N 0 0 249.354 3.604 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000767704247 585525351 /nfs/dbraw/zinc/52/53/51/585525351.db2.gz XAOBCKIQWJTDGC-JSGCOSHPSA-N 0 0 249.354 3.604 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000767704248 585525121 /nfs/dbraw/zinc/52/51/21/585525121.db2.gz XAOBCKIQWJTDGC-OCCSQVGLSA-N 0 0 249.354 3.604 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000767704249 585524982 /nfs/dbraw/zinc/52/49/82/585524982.db2.gz XAOBCKIQWJTDGC-TZMCWYRMSA-N 0 0 249.354 3.604 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)[C@H](C)CC(=C)C ZINC000767705606 585525191 /nfs/dbraw/zinc/52/51/91/585525191.db2.gz RDWDYXOKDXHMLB-CHWSQXEVSA-N 0 0 224.344 3.877 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)[C@H](C)CC(=C)C ZINC000767705608 585525333 /nfs/dbraw/zinc/52/53/33/585525333.db2.gz RDWDYXOKDXHMLB-OLZOCXBDSA-N 0 0 224.344 3.877 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)[C@@H](C)CC(=C)C ZINC000767705610 585525350 /nfs/dbraw/zinc/52/53/50/585525350.db2.gz RDWDYXOKDXHMLB-QWHCGFSZSA-N 0 0 224.344 3.877 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)[C@@H](C)CC(=C)C ZINC000767705611 585525262 /nfs/dbraw/zinc/52/52/62/585525262.db2.gz RDWDYXOKDXHMLB-STQMWFEESA-N 0 0 224.344 3.877 20 30 BHEDRN O=C(/C=C/c1cncs1)c1ccccc1Cl ZINC000767715371 585525211 /nfs/dbraw/zinc/52/52/11/585525211.db2.gz DDNIXANGTDGOMK-AATRIKPKSA-N 0 0 249.722 3.693 20 30 BHEDRN O=C(/C=C\c1cncs1)c1ccccc1Cl ZINC000767715372 585525213 /nfs/dbraw/zinc/52/52/13/585525213.db2.gz DDNIXANGTDGOMK-WAYWQWQTSA-N 0 0 249.722 3.693 20 30 BHEDRN Cc1ccc(C)c(C(=O)/C=C\c2cncs2)c1 ZINC000767718624 585525267 /nfs/dbraw/zinc/52/52/67/585525267.db2.gz RUXOUESBLNETCM-WAYWQWQTSA-N 0 0 243.331 3.656 20 30 BHEDRN CC(=NNc1ccc(C)cc1)c1occc1C ZINC000767742756 585525516 /nfs/dbraw/zinc/52/55/16/585525516.db2.gz DIFZEYNRYZGVNA-UHFFFAOYSA-N 0 0 228.295 3.733 20 30 BHEDRN CC(=NNc1cccc(C)c1)c1occc1C ZINC000767743618 585525427 /nfs/dbraw/zinc/52/54/27/585525427.db2.gz JSEPTPUSTUQTMM-UHFFFAOYSA-N 0 0 228.295 3.733 20 30 BHEDRN CC(=NNc1ccc(F)cc1)c1occc1C ZINC000767743987 585525583 /nfs/dbraw/zinc/52/55/83/585525583.db2.gz VKZSGOXTTJASGC-UHFFFAOYSA-N 0 0 232.258 3.563 20 30 BHEDRN Fc1ccc(C=NNc2ccccc2)c(Cl)c1 ZINC000767744866 585525430 /nfs/dbraw/zinc/52/54/30/585525430.db2.gz WGJTWNXBIWEVGN-UHFFFAOYSA-N 0 0 248.688 3.925 20 30 BHEDRN CCON=C(CC)c1c(F)cccc1Cl ZINC000767766217 585525611 /nfs/dbraw/zinc/52/56/11/585525611.db2.gz YRIYVEZYEBNRMB-UHFFFAOYSA-N 0 0 229.682 3.630 20 30 BHEDRN CC(=NOCc1ccccc1)c1occc1C ZINC000767768296 585525808 /nfs/dbraw/zinc/52/58/08/585525808.db2.gz WUYZCCNCPPHSFJ-UHFFFAOYSA-N 0 0 229.279 3.529 20 30 BHEDRN CC(=NNc1ccccc1F)c1occc1C ZINC000767768304 585525802 /nfs/dbraw/zinc/52/58/02/585525802.db2.gz XGRWJDMFHQZQJH-UHFFFAOYSA-N 0 0 232.258 3.563 20 30 BHEDRN CCCNN=C(CC)c1c(F)cccc1Cl ZINC000767770730 585525659 /nfs/dbraw/zinc/52/56/59/585525659.db2.gz FFRZMMHIOPMXMS-UHFFFAOYSA-N 0 0 242.725 3.593 20 30 BHEDRN CCc1ccccc1NN=C(C)c1occc1C ZINC000767772910 585525908 /nfs/dbraw/zinc/52/59/08/585525908.db2.gz CTVGIVXWKOVOHS-UHFFFAOYSA-N 0 0 242.322 3.987 20 30 BHEDRN CCCCNN=C1C[C@@H](c2ccccc2)[C@@H]1C ZINC000767773756 585525958 /nfs/dbraw/zinc/52/59/58/585525958.db2.gz WSQXHLUFXDRJKI-GXTWGEPZSA-N 0 0 230.355 3.556 20 30 BHEDRN CCCCNN=C1C[C@H](c2ccccc2)[C@@H]1C ZINC000767773758 585525876 /nfs/dbraw/zinc/52/58/76/585525876.db2.gz WSQXHLUFXDRJKI-JSGCOSHPSA-N 0 0 230.355 3.556 20 30 BHEDRN CCCCNN=C1C[C@H](c2ccccc2)[C@H]1C ZINC000767773761 585525944 /nfs/dbraw/zinc/52/59/44/585525944.db2.gz WSQXHLUFXDRJKI-OCCSQVGLSA-N 0 0 230.355 3.556 20 30 BHEDRN CCCCNN=C1C[C@@H](c2ccccc2)[C@H]1C ZINC000767773763 585526138 /nfs/dbraw/zinc/52/61/38/585526138.db2.gz WSQXHLUFXDRJKI-TZMCWYRMSA-N 0 0 230.355 3.556 20 30 BHEDRN CC(=NNc1cccc(F)c1)c1occc1C ZINC000767780840 585525873 /nfs/dbraw/zinc/52/58/73/585525873.db2.gz XDMNEMGMQFHSNW-UHFFFAOYSA-N 0 0 232.258 3.563 20 30 BHEDRN CC(=NN[C@H](C)c1ccccc1)c1occc1C ZINC000767780899 585525895 /nfs/dbraw/zinc/52/58/95/585525895.db2.gz YXKWWGOXGFSGAQ-GFCCVEGCSA-N 0 0 242.322 3.663 20 30 BHEDRN CC(=NN[C@@H](C)c1ccccc1)c1occc1C ZINC000767780902 585526100 /nfs/dbraw/zinc/52/61/00/585526100.db2.gz YXKWWGOXGFSGAQ-LBPRGKRZSA-N 0 0 242.322 3.663 20 30 BHEDRN CC1(C)CCCC(N=Nc2ccc(F)cn2)C1 ZINC000767781597 585526006 /nfs/dbraw/zinc/52/60/06/585526006.db2.gz ITKIRLKPYWMDPH-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN CCC(CC)NN=C1C[C@H](c2ccccc2)[C@H]1C ZINC000767782289 585526058 /nfs/dbraw/zinc/52/60/58/585526058.db2.gz OBTQMYNLSAWBBP-DOMZBBRYSA-N 0 0 244.382 3.944 20 30 BHEDRN CCC(CC)NN=C1C[C@@H](c2ccccc2)[C@H]1C ZINC000767782291 585525912 /nfs/dbraw/zinc/52/59/12/585525912.db2.gz OBTQMYNLSAWBBP-IUODEOHRSA-N 0 0 244.382 3.944 20 30 BHEDRN CCC(CC)NN=C1C[C@@H](c2ccccc2)[C@@H]1C ZINC000767782293 585525990 /nfs/dbraw/zinc/52/59/90/585525990.db2.gz OBTQMYNLSAWBBP-SWLSCSKDSA-N 0 0 244.382 3.944 20 30 BHEDRN CCC(CC)NN=C1C[C@H](c2ccccc2)[C@@H]1C ZINC000767782294 585526091 /nfs/dbraw/zinc/52/60/91/585526091.db2.gz OBTQMYNLSAWBBP-WFASDCNBSA-N 0 0 244.382 3.944 20 30 BHEDRN C[C@H]1C(=NNC2CCCC2)C[C@@H]1c1ccccc1 ZINC000767782697 585525919 /nfs/dbraw/zinc/52/59/19/585525919.db2.gz MAINMUGYSKNARQ-DOMZBBRYSA-N 0 0 242.366 3.698 20 30 BHEDRN C[C@H]1C(=NNC2CCCC2)C[C@H]1c1ccccc1 ZINC000767782698 585525868 /nfs/dbraw/zinc/52/58/68/585525868.db2.gz MAINMUGYSKNARQ-IUODEOHRSA-N 0 0 242.366 3.698 20 30 BHEDRN C[C@@H]1C(=NNC2CCCC2)C[C@H]1c1ccccc1 ZINC000767782699 585526124 /nfs/dbraw/zinc/52/61/24/585526124.db2.gz MAINMUGYSKNARQ-SWLSCSKDSA-N 0 0 242.366 3.698 20 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585526386 /nfs/dbraw/zinc/52/63/86/585526386.db2.gz AKFJFLJVHSVNRC-UHFFFAOYSA-N 0 0 223.238 3.522 20 30 BHEDRN CC(=NNc1cc(C)ccc1F)c1occc1C ZINC000767792669 585526236 /nfs/dbraw/zinc/52/62/36/585526236.db2.gz OOPHNYJZIZYUKX-UHFFFAOYSA-N 0 0 246.285 3.872 20 30 BHEDRN C=C(C)CNc1ccn(-c2ccccc2Cl)n1 ZINC000767808027 585526467 /nfs/dbraw/zinc/52/64/67/585526467.db2.gz GIDXEUMGYJCHDT-UHFFFAOYSA-N 0 0 247.729 3.514 20 30 BHEDRN CCCCCCCSCc1cc(C)n(C)n1 ZINC000767832230 585526702 /nfs/dbraw/zinc/52/67/02/585526702.db2.gz SVOAULXGYMPLOT-UHFFFAOYSA-N 0 0 240.416 3.932 20 30 BHEDRN CCCCCCSCc1ccnc(C#N)c1 ZINC000767875172 585527173 /nfs/dbraw/zinc/52/71/73/585527173.db2.gz GRZZUOQGOUYKKD-UHFFFAOYSA-N 0 0 234.368 3.767 20 30 BHEDRN Cc1cc(C=NNc2cccc(Cl)c2)c(C)o1 ZINC000767892122 585527421 /nfs/dbraw/zinc/52/74/21/585527421.db2.gz BNODJCCLNPXSGM-UHFFFAOYSA-N 0 0 248.713 3.996 20 30 BHEDRN Cc1cc(C=NNc2cccc(C)c2)c(C)o1 ZINC000767893259 585527538 /nfs/dbraw/zinc/52/75/38/585527538.db2.gz NLQHUPFRLBUYRS-UHFFFAOYSA-N 0 0 228.295 3.651 20 30 BHEDRN Cc1cc(C=NNc2ccc(Cl)cc2)c(C)o1 ZINC000767893320 585527577 /nfs/dbraw/zinc/52/75/77/585527577.db2.gz NSXIPMOENBRHEH-UHFFFAOYSA-N 0 0 248.713 3.996 20 30 BHEDRN Cc1cc(C=NNc2ccccc2Cl)c(C)o1 ZINC000767893351 585527685 /nfs/dbraw/zinc/52/76/85/585527685.db2.gz OHMJPOHMKDNNAW-UHFFFAOYSA-N 0 0 248.713 3.996 20 30 BHEDRN Cc1cc(C=NNc2ccc(C)cc2)c(C)o1 ZINC000767894111 585527805 /nfs/dbraw/zinc/52/78/05/585527805.db2.gz WTAFWGPGCYYQBC-UHFFFAOYSA-N 0 0 228.295 3.651 20 30 BHEDRN CC(=NNc1cc(C)cc(C)c1)c1cscn1 ZINC000767895687 585527829 /nfs/dbraw/zinc/52/78/29/585527829.db2.gz AEHQTUJYROIXJE-UHFFFAOYSA-N 0 0 245.351 3.596 20 30 BHEDRN Cc1cc(C=NNc2cc(C)ccc2C)c(C)o1 ZINC000767896629 585527731 /nfs/dbraw/zinc/52/77/31/585527731.db2.gz JQORTAWSFIKEDM-UHFFFAOYSA-N 0 0 242.322 3.959 20 30 BHEDRN CC(=NNc1cc(C)ccc1C)c1cscn1 ZINC000767897302 585527874 /nfs/dbraw/zinc/52/78/74/585527874.db2.gz VWVWUABIPBOUSI-UHFFFAOYSA-N 0 0 245.351 3.596 20 30 BHEDRN Cc1cc(C=NNc2cc(C)cc(C)c2)c(C)o1 ZINC000767897355 585527360 /nfs/dbraw/zinc/52/73/60/585527360.db2.gz YGDUMPWQNGRSSF-UHFFFAOYSA-N 0 0 242.322 3.959 20 30 BHEDRN CCc1ccccc1NN=C(C)c1cscn1 ZINC000767898960 585527822 /nfs/dbraw/zinc/52/78/22/585527822.db2.gz DUMSDQAXMCQNLP-UHFFFAOYSA-N 0 0 245.351 3.542 20 30 BHEDRN CCc1ccccc1NN=Cc1cc(C)oc1C ZINC000767899484 585527772 /nfs/dbraw/zinc/52/77/72/585527772.db2.gz KDYBVBMZOJDVNO-UHFFFAOYSA-N 0 0 242.322 3.905 20 30 BHEDRN Cc1cc(C=NNc2ccc(F)cc2C)c(C)o1 ZINC000767900580 585527835 /nfs/dbraw/zinc/52/78/35/585527835.db2.gz IBPRYLAVWCMGPH-UHFFFAOYSA-N 0 0 246.285 3.790 20 30 BHEDRN Cc1cc(C=NNc2cc(C)ccc2F)c(C)o1 ZINC000767900889 585527795 /nfs/dbraw/zinc/52/77/95/585527795.db2.gz OBTNHROPLCXVLS-UHFFFAOYSA-N 0 0 246.285 3.790 20 30 BHEDRN Cc1cc(C=NN[C@H](C)c2ccccc2)c(C)o1 ZINC000767908687 585528337 /nfs/dbraw/zinc/52/83/37/585528337.db2.gz XIZJWRQHAIZJKS-GFCCVEGCSA-N 0 0 242.322 3.581 20 30 BHEDRN Cc1cc(C=NN[C@@H](C)c2ccccc2)c(C)o1 ZINC000767908689 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3.556 20 30 BHEDRN CCON=C1C[C@H](c2ccccc2)C1(C)C ZINC000768484436 585539179 /nfs/dbraw/zinc/53/91/79/585539179.db2.gz ZZECKKWZQHAVAJ-GFCCVEGCSA-N 0 0 217.312 3.593 20 30 BHEDRN CCON=C1C[C@@H](c2ccccc2)C1(C)C ZINC000768484437 585539169 /nfs/dbraw/zinc/53/91/69/585539169.db2.gz ZZECKKWZQHAVAJ-LBPRGKRZSA-N 0 0 217.312 3.593 20 30 BHEDRN CC(C)Oc1ccc(NC2CC(C)C2)cc1C#N ZINC000768518508 585539474 /nfs/dbraw/zinc/53/94/74/585539474.db2.gz HESSDUOHZIMSOB-UHFFFAOYSA-N 0 0 244.338 3.556 20 30 BHEDRN C=CCN(Cc1cc(F)c(F)cc1F)C(C)C ZINC000768550269 585540184 /nfs/dbraw/zinc/54/01/84/585540184.db2.gz JDDYRRWOTHMDGH-UHFFFAOYSA-N 0 0 243.272 3.500 20 30 BHEDRN CCC[C@@H](C)C(=O)OCCCCC(C)(C)C#N ZINC000768598328 585540746 /nfs/dbraw/zinc/54/07/46/585540746.db2.gz PAJBDGRDQPBWDK-GFCCVEGCSA-N 0 0 239.359 3.686 20 30 BHEDRN CCC[C@H](C)C(=O)OCCCCC(C)(C)C#N ZINC000768598330 585540884 /nfs/dbraw/zinc/54/08/84/585540884.db2.gz PAJBDGRDQPBWDK-LBPRGKRZSA-N 0 0 239.359 3.686 20 30 BHEDRN CCC/C=C/C(=O)OCCCCC(C)(C)C#N ZINC000768598907 585540724 /nfs/dbraw/zinc/54/07/24/585540724.db2.gz RLEYWPXEYAXVEZ-RMKNXTFCSA-N 0 0 237.343 3.606 20 30 BHEDRN CCC/C=C\C(=O)OCCCCC(C)(C)C#N ZINC000768598909 585540816 /nfs/dbraw/zinc/54/08/16/585540816.db2.gz RLEYWPXEYAXVEZ-TWGQIWQCSA-N 0 0 237.343 3.606 20 30 BHEDRN CCC(CC)C(=O)OCCCCC(C)(C)C#N ZINC000768598965 585540751 /nfs/dbraw/zinc/54/07/51/585540751.db2.gz SMAAWSGARVTGTL-UHFFFAOYSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCCCCCCOC(=O)c1oncc1C ZINC000768602149 585540843 /nfs/dbraw/zinc/54/08/43/585540843.db2.gz SMXBXFXPIJBZHE-UHFFFAOYSA-N 0 0 239.315 3.500 20 30 BHEDRN C/C(=C/C(=O)OCCCCC(C)(C)C#N)C1CC1 ZINC000768624828 585541284 /nfs/dbraw/zinc/54/12/84/585541284.db2.gz AJXSYJIHYSDJNS-BENRWUELSA-N 0 0 249.354 3.606 20 30 BHEDRN C/C(=C\C(=O)OCCCCC(C)(C)C#N)C1CC1 ZINC000768624830 585541210 /nfs/dbraw/zinc/54/12/10/585541210.db2.gz AJXSYJIHYSDJNS-ZRDIBKRKSA-N 0 0 249.354 3.606 20 30 BHEDRN CC(C)(C#N)CCCCOC(=O)C=C1CCCC1 ZINC000768630107 585541275 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228.270 3.580 20 30 BHEDRN Cc1ccsc1C=NNc1c(C)cccc1F ZINC000769828868 585565064 /nfs/dbraw/zinc/56/50/64/585565064.db2.gz XSQDEFQWJNJJIX-UHFFFAOYSA-N 0 0 248.326 3.950 20 30 BHEDRN CC(=NNc1c(C)cccc1F)c1ccoc1 ZINC000769828914 585565043 /nfs/dbraw/zinc/56/50/43/585565043.db2.gz YMVNIRMAVGCWJL-UHFFFAOYSA-N 0 0 232.258 3.563 20 30 BHEDRN Cc1cc(CN=Nc2c(C)cccc2F)c(C)[nH]1 ZINC000769829083 584971900 /nfs/dbraw/zinc/97/19/00/584971900.db2.gz ZPJWVOXKFHWUKU-UHFFFAOYSA-N 0 0 245.301 3.525 20 30 BHEDRN CC(C)CN=Nc1c(F)cccc1Cl ZINC000769829276 585564997 /nfs/dbraw/zinc/56/49/97/585564997.db2.gz OMMMFBFFSYRIDN-UHFFFAOYSA-N 0 0 214.671 3.533 20 30 BHEDRN CC(C)(C)CN=Nc1c(F)cccc1Cl ZINC000769829544 585565010 /nfs/dbraw/zinc/56/50/10/585565010.db2.gz RHHZKZDTPMEGIF-UHFFFAOYSA-N 0 0 228.698 3.923 20 30 BHEDRN CSCCCN=Nc1c(F)cccc1Cl ZINC000769829599 585564890 /nfs/dbraw/zinc/56/48/90/585564890.db2.gz STIVVCULGRCKPX-UHFFFAOYSA-N 0 0 246.738 3.630 20 30 BHEDRN CC(C)C(C)N=Nc1c(F)cccc1Cl ZINC000769829607 585564885 /nfs/dbraw/zinc/56/48/85/585564885.db2.gz TXOAAKHPNVIHBP-UHFFFAOYSA-N 0 0 228.698 3.923 20 30 BHEDRN FC(F)(F)C1CCC(CON=C2CCC2)CC1 ZINC000769830086 584971921 /nfs/dbraw/zinc/97/19/21/584971921.db2.gz LATBSJJBJSDMAF-UHFFFAOYSA-N 0 0 249.276 3.912 20 30 BHEDRN C[C@@H]1C[C@@H]1CN=Nc1c(F)cccc1Cl ZINC000769830242 585565006 /nfs/dbraw/zinc/56/50/06/585565006.db2.gz XKHCPKNYVZZWCT-HTQZYQBOSA-N 0 0 226.682 3.533 20 30 BHEDRN C[C@H]1C[C@@H]1CN=Nc1c(F)cccc1Cl ZINC000769830244 585565038 /nfs/dbraw/zinc/56/50/38/585565038.db2.gz XKHCPKNYVZZWCT-JGVFFNPUSA-N 0 0 226.682 3.533 20 30 BHEDRN C[C@@H]1C[C@H]1CN=Nc1c(F)cccc1Cl ZINC000769830246 585565091 /nfs/dbraw/zinc/56/50/91/585565091.db2.gz XKHCPKNYVZZWCT-SFYZADRCSA-N 0 0 226.682 3.533 20 30 BHEDRN C[C@H]1C[C@H]1CN=Nc1c(F)cccc1Cl ZINC000769830248 585564946 /nfs/dbraw/zinc/56/49/46/585564946.db2.gz XKHCPKNYVZZWCT-YUMQZZPRSA-N 0 0 226.682 3.533 20 30 BHEDRN CCC(C)N=Nc1c(F)cccc1Cl ZINC000769831195 585565041 /nfs/dbraw/zinc/56/50/41/585565041.db2.gz WNLKYSMVFLWEFZ-UHFFFAOYSA-N 0 0 214.671 3.677 20 30 BHEDRN Cc1cccc(F)c1N=NC1CCC[C@H]1C ZINC000769839148 584972686 /nfs/dbraw/zinc/97/26/86/584972686.db2.gz AADUGQQGBZVZEK-SECBINFHSA-N 0 0 220.291 3.722 20 30 BHEDRN Cc1cccc(F)c1N=NC1CCC[C@@H]1C ZINC000769839149 584972569 /nfs/dbraw/zinc/97/25/69/584972569.db2.gz AADUGQQGBZVZEK-VIFPVBQESA-N 0 0 220.291 3.722 20 30 BHEDRN Cc1cccc(F)c1N=NC(C)C1CCC1 ZINC000769839150 584972697 /nfs/dbraw/zinc/97/26/97/584972697.db2.gz ABCUOUXKAKVVRZ-UHFFFAOYSA-N 0 0 220.291 3.722 20 30 BHEDRN CCC(CC)N=Nc1c(C)cccc1F ZINC000769839155 585565065 /nfs/dbraw/zinc/56/50/65/585565065.db2.gz AIQJWGCXVFPVNI-UHFFFAOYSA-N 0 0 208.280 3.722 20 30 BHEDRN Cc1ccccc1C=NNc1c(C)cccc1F ZINC000769839175 585564926 /nfs/dbraw/zinc/56/49/26/585564926.db2.gz AYVHJNKUMDZNLM-UHFFFAOYSA-N 0 0 242.297 3.889 20 30 BHEDRN Cc1cccc(F)c1N=NC(C(C)C)C1CC1 ZINC000769839808 585565056 /nfs/dbraw/zinc/56/50/56/585565056.db2.gz GRNTYDWSQAJXNM-UHFFFAOYSA-N 0 0 234.318 3.968 20 30 BHEDRN Cc1cccc(F)c1N=NC[C@@H]1CC=CCC1 ZINC000769840025 585564940 /nfs/dbraw/zinc/56/49/40/585564940.db2.gz GYYRARGKAYUGMP-GFCCVEGCSA-N 0 0 232.302 3.888 20 30 BHEDRN Cc1cccc(F)c1N=NC[C@H]1CC=CCC1 ZINC000769840026 585565063 /nfs/dbraw/zinc/56/50/63/585565063.db2.gz GYYRARGKAYUGMP-LBPRGKRZSA-N 0 0 232.302 3.888 20 30 BHEDRN Cc1cccc(F)c1N=NC(C)c1ccccc1 ZINC000769840396 585564950 /nfs/dbraw/zinc/56/49/50/585564950.db2.gz JHHKZXAJEUZCQJ-UHFFFAOYSA-N 0 0 242.297 3.970 20 30 BHEDRN Cc1cccc(F)c1N=NC=CCc1ccco1 ZINC000769840408 585565072 /nfs/dbraw/zinc/56/50/72/585565072.db2.gz JWWXJQJEZICUEB-GLNLCZHCSA-N 0 0 244.269 3.838 20 30 BHEDRN Cc1cccc(F)c1N=NC=CCc1ccco1 ZINC000769840409 585564903 /nfs/dbraw/zinc/56/49/03/585564903.db2.gz JWWXJQJEZICUEB-ZCTXJBCCSA-N 0 0 244.269 3.838 20 30 BHEDRN Cc1cc(C)c(C=NNc2c(C)cccc2F)[nH]1 ZINC000769840413 585564869 /nfs/dbraw/zinc/56/48/69/585564869.db2.gz KFCVBKVRAPXZMN-UHFFFAOYSA-N 0 0 245.301 3.525 20 30 BHEDRN Cc1cccc(F)c1NN=Cc1cccs1 ZINC000769840737 585565081 /nfs/dbraw/zinc/56/50/81/585565081.db2.gz NEAXXPKSDFINJW-UHFFFAOYSA-N 0 0 234.299 3.642 20 30 BHEDRN Cc1cccc(F)c1N=NC1CC(C(F)F)C1 ZINC000769840984 585564917 /nfs/dbraw/zinc/56/49/17/585564917.db2.gz QQRPNVPQTHUHSE-UHFFFAOYSA-N 0 0 242.244 3.577 20 30 BHEDRN Cc1cc(C=NNc2c(C)cccc2F)c(C)o1 ZINC000769841611 585564919 /nfs/dbraw/zinc/56/49/19/585564919.db2.gz TWAMXVKEAFVLFN-UHFFFAOYSA-N 0 0 246.285 3.790 20 30 BHEDRN CCc1ccc(C=NNc2c(C)cccc2F)o1 ZINC000769841651 585565202 /nfs/dbraw/zinc/56/52/02/585565202.db2.gz UJNXINSZBQUSRQ-UHFFFAOYSA-N 0 0 246.285 3.736 20 30 BHEDRN CCC(CC)CN=Nc1c(C)cccc1F ZINC000769841964 585565301 /nfs/dbraw/zinc/56/53/01/585565301.db2.gz XBRSTYLHKJTXLL-UHFFFAOYSA-N 0 0 222.307 3.968 20 30 BHEDRN Cc1cccc(F)c1N=NC1CC2(CCC2)C1 ZINC000769842041 585565362 /nfs/dbraw/zinc/56/53/62/585565362.db2.gz XWKPGJRJKMYAIN-UHFFFAOYSA-N 0 0 232.302 3.866 20 30 BHEDRN CCC(N=Nc1c(C)cccc1F)C1CC1 ZINC000769842050 585565129 /nfs/dbraw/zinc/56/51/29/585565129.db2.gz YBRURPKOAOHZLB-UHFFFAOYSA-N 0 0 220.291 3.722 20 30 BHEDRN CC(=NNc1c(C)cccc1F)c1ccc(C)o1 ZINC000769842162 585565368 /nfs/dbraw/zinc/56/53/68/585565368.db2.gz ZJDMLQSNVPKPPV-UHFFFAOYSA-N 0 0 246.285 3.872 20 30 BHEDRN C#CCCCSCc1ccc2ncccc2c1 ZINC000769847152 585565356 /nfs/dbraw/zinc/56/53/56/585565356.db2.gz UZNLASUUASXOAX-UHFFFAOYSA-N 0 0 241.359 3.881 20 30 BHEDRN C=C(Cl)CN(C)Cc1cc(Cl)ccc1F ZINC000769851226 585565109 /nfs/dbraw/zinc/56/51/09/585565109.db2.gz GGBNKCDMNHORII-UHFFFAOYSA-N 0 0 248.128 3.663 20 30 BHEDRN CCCCCCN1CCCC(C)(C)[C@H]1C#N ZINC000769892904 585566284 /nfs/dbraw/zinc/56/62/84/585566284.db2.gz KREPXZSQBICFHZ-CYBMUJFWSA-N 0 0 222.376 3.581 20 30 BHEDRN CCCCCCN1CCCC(C)(C)[C@@H]1C#N ZINC000769892911 585566194 /nfs/dbraw/zinc/56/61/94/585566194.db2.gz KREPXZSQBICFHZ-ZDUSSCGKSA-N 0 0 222.376 3.581 20 30 BHEDRN C#CCCCCNc1nccc2ccc(F)cc21 ZINC000769916809 585566604 /nfs/dbraw/zinc/56/66/04/585566604.db2.gz SZUFZRFNAWCZAS-UHFFFAOYSA-N 0 0 242.297 3.589 20 30 BHEDRN C=CCC[C@@H](CCC)Nc1cnn(C)c1C1CC1 ZINC000769981101 585568583 /nfs/dbraw/zinc/56/85/83/585568583.db2.gz RWZPUTOYZBJAAJ-CYBMUJFWSA-N 0 0 247.386 3.844 20 30 BHEDRN C=CCC[C@H](CCC)Nc1cnn(C)c1C1CC1 ZINC000769981104 585568715 /nfs/dbraw/zinc/56/87/15/585568715.db2.gz RWZPUTOYZBJAAJ-ZDUSSCGKSA-N 0 0 247.386 3.844 20 30 BHEDRN C=CCC[C@@H](Nc1cccc(OC)c1F)C1CC1 ZINC000769984498 585568608 /nfs/dbraw/zinc/56/86/08/585568608.db2.gz IANYJNMLRSDXOU-GFCCVEGCSA-N 0 0 249.329 3.991 20 30 BHEDRN C=CCC[C@H](Nc1cccc(OC)c1F)C1CC1 ZINC000769984503 585568740 /nfs/dbraw/zinc/56/87/40/585568740.db2.gz IANYJNMLRSDXOU-LBPRGKRZSA-N 0 0 249.329 3.991 20 30 BHEDRN C=CCC[C@@H](CC)Nc1cccc(OC)c1F ZINC000769984511 585568593 /nfs/dbraw/zinc/56/85/93/585568593.db2.gz IBSFZSVBRZGYGS-LLVKDONJSA-N 0 0 237.318 3.991 20 30 BHEDRN C=CCC[C@H](CC)Nc1cccc(OC)c1F ZINC000769984513 585568731 /nfs/dbraw/zinc/56/87/31/585568731.db2.gz IBSFZSVBRZGYGS-NSHDSACASA-N 0 0 237.318 3.991 20 30 BHEDRN C=CC[C@@H](C)[C@@H](C)Nc1cccc(OC)c1F ZINC000769987290 585568602 /nfs/dbraw/zinc/56/86/02/585568602.db2.gz SMFVQTILBMHUKO-GHMZBOCLSA-N 0 0 237.318 3.847 20 30 BHEDRN C=CC[C@@H](C)[C@H](C)Nc1cccc(OC)c1F ZINC000769987292 585568747 /nfs/dbraw/zinc/56/87/47/585568747.db2.gz SMFVQTILBMHUKO-MNOVXSKESA-N 0 0 237.318 3.847 20 30 BHEDRN C=CC[C@H](C)[C@H](C)Nc1cccc(OC)c1F ZINC000769987294 585568746 /nfs/dbraw/zinc/56/87/46/585568746.db2.gz SMFVQTILBMHUKO-QWRGUYRKSA-N 0 0 237.318 3.847 20 30 BHEDRN C=CC[C@H](C)[C@@H](C)Nc1cccc(OC)c1F ZINC000769987295 585568617 /nfs/dbraw/zinc/56/86/17/585568617.db2.gz SMFVQTILBMHUKO-WDEREUQCSA-N 0 0 237.318 3.847 20 30 BHEDRN C#CCN1CCCC[C@H]1c1cccc(Cl)c1 ZINC000770000241 584974798 /nfs/dbraw/zinc/97/47/98/584974798.db2.gz AGWLURZMFOITFP-AWEZNQCLSA-N 0 0 233.742 3.500 20 30 BHEDRN C#CCN1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000770000242 584974850 /nfs/dbraw/zinc/97/48/50/584974850.db2.gz AGWLURZMFOITFP-CQSZACIVSA-N 0 0 233.742 3.500 20 30 BHEDRN C=CCCCCNC(=O)C=C1CCC(C)CC1 ZINC000770082113 585570782 /nfs/dbraw/zinc/57/07/82/585570782.db2.gz KJCHKAPCGSVPBY-UHFFFAOYSA-N 0 0 235.371 3.595 20 30 BHEDRN C=CCCCCNC(=O)/C=C\C1CCCCC1 ZINC000770082243 585570759 /nfs/dbraw/zinc/57/07/59/585570759.db2.gz MWIHXMYELQWLLA-QXMHVHEDSA-N 0 0 235.371 3.595 20 30 BHEDRN C=CCCCCNC(=O)/C=C/C1CCCCC1 ZINC000770082244 585570623 /nfs/dbraw/zinc/57/06/23/585570623.db2.gz MWIHXMYELQWLLA-VAWYXSNFSA-N 0 0 235.371 3.595 20 30 BHEDRN C=CCCCCNC(=O)C1CCCCCCC1 ZINC000770082263 585570710 /nfs/dbraw/zinc/57/07/10/585570710.db2.gz NEGXAHDPGRUTBE-UHFFFAOYSA-N 0 0 237.387 3.819 20 30 BHEDRN C=CCCCCNC(=O)/C=C(\C)c1ccccc1 ZINC000770083245 585570717 /nfs/dbraw/zinc/57/07/17/585570717.db2.gz VCZDRLZFCUPNNE-BUHFOSPRSA-N 0 0 243.350 3.562 20 30 BHEDRN C=CCCCCNC(=O)/C=C(/C)c1ccccc1 ZINC000770083250 585570694 /nfs/dbraw/zinc/57/06/94/585570694.db2.gz VCZDRLZFCUPNNE-YPKPFQOOSA-N 0 0 243.350 3.562 20 30 BHEDRN CC#CCCCC(=O)OCc1ccc(C)cc1C ZINC000770122511 585571105 /nfs/dbraw/zinc/57/11/05/585571105.db2.gz AYJZMCNCRRKTMM-UHFFFAOYSA-N 0 0 244.334 3.540 20 30 BHEDRN CCCCCCCC(=O)Nc1ccc(C)nc1 ZINC000770324214 585572876 /nfs/dbraw/zinc/57/28/76/585572876.db2.gz LGIMYAIHRXHYIS-UHFFFAOYSA-N 0 0 234.343 3.689 20 30 BHEDRN CCC/C(C)=C\C(=O)Nc1cccc(C#N)c1C ZINC000770334834 585573206 /nfs/dbraw/zinc/57/32/06/585573206.db2.gz WNJVHCQYQKXOMI-LUAWRHEFSA-N 0 0 242.322 3.552 20 30 BHEDRN CCC/C(C)=C/C(=O)Nc1cccc(C#N)c1C ZINC000770334835 585573012 /nfs/dbraw/zinc/57/30/12/585573012.db2.gz WNJVHCQYQKXOMI-PKNBQFBNSA-N 0 0 242.322 3.552 20 30 BHEDRN C=C(C)COc1cccc(NCc2ccoc2)c1 ZINC000770558681 585576749 /nfs/dbraw/zinc/57/67/49/585576749.db2.gz HIASUJXTTURJOG-UHFFFAOYSA-N 0 0 243.306 3.847 20 30 BHEDRN C=CCN(CC=C)C(=O)C=C(CCC)CCC ZINC000770565827 585576631 /nfs/dbraw/zinc/57/66/31/585576631.db2.gz KQRDMWMILRLNKM-UHFFFAOYSA-N 0 0 235.371 3.714 20 30 BHEDRN Oc1ccccc1/C=N/[C@@H]1CC12CCCCC2 ZINC000770567518 585576555 /nfs/dbraw/zinc/57/65/55/585576555.db2.gz DYQHUINTBGPCDW-DSQDWWTGSA-N 0 0 229.323 3.534 20 30 BHEDRN Oc1ccccc1/C=N\[C@H]1CC12CCCCC2 ZINC000770567519 585576583 /nfs/dbraw/zinc/57/65/83/585576583.db2.gz DYQHUINTBGPCDW-HNDQUVLASA-N 0 0 229.323 3.534 20 30 BHEDRN Oc1ccccc1/C=N/[C@H]1CC12CCCCC2 ZINC000770567520 585576664 /nfs/dbraw/zinc/57/66/64/585576664.db2.gz DYQHUINTBGPCDW-LUYJPIOASA-N 0 0 229.323 3.534 20 30 BHEDRN Oc1ccccc1/C=N\[C@@H]1CC12CCCCC2 ZINC000770567521 585576635 /nfs/dbraw/zinc/57/66/35/585576635.db2.gz DYQHUINTBGPCDW-VQCBNXJZSA-N 0 0 229.323 3.534 20 30 BHEDRN Cc1cc(C)c(N=NC2CCCOCC2)c(C)c1 ZINC000770604885 585577373 /nfs/dbraw/zinc/57/73/73/585577373.db2.gz ICTPIPJHOSRIFE-UHFFFAOYSA-N 0 0 246.354 3.580 20 30 BHEDRN C=CCCCC(=O)O[C@@H](C)c1ccc(C)cc1 ZINC000770657694 585579224 /nfs/dbraw/zinc/57/92/24/585579224.db2.gz IGVZYWCEZGHICN-ZDUSSCGKSA-N 0 0 232.323 3.956 20 30 BHEDRN C=CCN(C(=O)C=C(CCC)CCC)C(C)C ZINC000770695871 585580206 /nfs/dbraw/zinc/58/02/06/585580206.db2.gz AFQVLGQRBDCJMT-UHFFFAOYSA-N 0 0 237.387 3.936 20 30 BHEDRN C#CCCCOc1cc(CC)nc2ccccc21 ZINC000770696141 585580255 /nfs/dbraw/zinc/58/02/55/585580255.db2.gz IMHMZVFDQOQCSI-UHFFFAOYSA-N 0 0 239.318 3.589 20 30 BHEDRN C=C1CCN(C(=O)C=C(CCC)CCC)CC1 ZINC000770737864 585580988 /nfs/dbraw/zinc/58/09/88/585580988.db2.gz MYDNMBFRUSBISV-UHFFFAOYSA-N 0 0 235.371 3.692 20 30 BHEDRN C=CC[C@@H](C)NC(=O)C=C(CCC)CCC ZINC000770759414 585581358 /nfs/dbraw/zinc/58/13/58/585581358.db2.gz VUYFGALRBLJIPD-GFCCVEGCSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CC[C@H](C)NC(=O)C=C(CCC)CCC ZINC000770759415 585581404 /nfs/dbraw/zinc/58/14/04/585581404.db2.gz VUYFGALRBLJIPD-LBPRGKRZSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCCC(=O)OC1(Cc2ccccc2)CC1 ZINC000770915628 585584273 /nfs/dbraw/zinc/58/42/73/585584273.db2.gz VKNZXFBARQUEAE-UHFFFAOYSA-N 0 0 244.334 3.661 20 30 BHEDRN CCCCCC[C@@H](CC)C(=O)OC[C@H](C)C#N ZINC000770926728 585584548 /nfs/dbraw/zinc/58/45/48/585584548.db2.gz DXIMJAKZYXSOMH-CHWSQXEVSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCCCC[C@H](CC)C(=O)OC[C@H](C)C#N ZINC000770926729 585584537 /nfs/dbraw/zinc/58/45/37/585584537.db2.gz DXIMJAKZYXSOMH-OLZOCXBDSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCCCC[C@@H](CC)C(=O)OC[C@@H](C)C#N ZINC000770926731 585584565 /nfs/dbraw/zinc/58/45/65/585584565.db2.gz DXIMJAKZYXSOMH-QWHCGFSZSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCCCC[C@H](CC)C(=O)OC[C@@H](C)C#N ZINC000770926732 585584615 /nfs/dbraw/zinc/58/46/15/585584615.db2.gz DXIMJAKZYXSOMH-STQMWFEESA-N 0 0 239.359 3.686 20 30 BHEDRN CCCCC[C@@H](C(=O)OC[C@H](C)C#N)C(C)C ZINC000770929576 585584470 /nfs/dbraw/zinc/58/44/70/585584470.db2.gz PZEMHIGMEIIQFB-CHWSQXEVSA-N 0 0 239.359 3.542 20 30 BHEDRN CCCCC[C@H](C(=O)OC[C@H](C)C#N)C(C)C ZINC000770929577 585584456 /nfs/dbraw/zinc/58/44/56/585584456.db2.gz PZEMHIGMEIIQFB-OLZOCXBDSA-N 0 0 239.359 3.542 20 30 BHEDRN CCCCC[C@@H](C(=O)OC[C@@H](C)C#N)C(C)C ZINC000770929578 585584475 /nfs/dbraw/zinc/58/44/75/585584475.db2.gz PZEMHIGMEIIQFB-QWHCGFSZSA-N 0 0 239.359 3.542 20 30 BHEDRN CCCCC[C@H](C(=O)OC[C@@H](C)C#N)C(C)C 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644686891 /nfs/dbraw/zinc/68/68/91/644686891.db2.gz OUEKTCHFHUMDPW-UHFFFAOYSA-N 0 0 249.314 3.628 20 30 BHEDRN C=C(Cl)CN1CC=C(c2cccc(C)c2)CC1 ZINC000771463469 585594923 /nfs/dbraw/zinc/59/49/23/585594923.db2.gz KVJOPTKNDUUVMI-UHFFFAOYSA-N 0 0 247.769 3.837 20 30 BHEDRN CCCCCCCC(=O)Nc1c(C)cccc1O ZINC000771484927 585595370 /nfs/dbraw/zinc/59/53/70/585595370.db2.gz KXVUUBDPXVKAOC-UHFFFAOYSA-N 0 0 249.354 4.000 20 30 BHEDRN CC(=NNc1cccc(C)c1)c1cnccc1C ZINC000771552391 585595932 /nfs/dbraw/zinc/59/59/32/585595932.db2.gz GLUIFBSPEWOJFH-UHFFFAOYSA-N 0 0 239.322 3.535 20 30 BHEDRN CC(=NNc1ccc(C)cc1)c1cnccc1C ZINC000771554518 585596073 /nfs/dbraw/zinc/59/60/73/585596073.db2.gz WSBYXHNPVZKHGW-UHFFFAOYSA-N 0 0 239.322 3.535 20 30 BHEDRN Cc1cnc(CSc2ccc(C#N)cc2)s1 ZINC000771555008 585596071 /nfs/dbraw/zinc/59/60/71/585596071.db2.gz DQSQECMZELFHIS-UHFFFAOYSA-N 0 0 246.360 3.616 20 30 BHEDRN CC(CCc1cccc(C)c1)=NNCC(C)C ZINC000771561141 585596235 /nfs/dbraw/zinc/59/62/35/585596235.db2.gz IGSCHZUQFPYQPZ-UHFFFAOYSA-N 0 0 232.371 3.549 20 30 BHEDRN CC(CCC1CCCC1)=NNCC(C)C ZINC000771561609 585596117 /nfs/dbraw/zinc/59/61/17/585596117.db2.gz LFWWYEGMQOMXMV-UHFFFAOYSA-N 0 0 210.365 3.578 20 30 BHEDRN Cc1cnc(CSc2cccc(C#N)c2)s1 ZINC000771562491 585596206 /nfs/dbraw/zinc/59/62/06/585596206.db2.gz FVLZUWOUZXLYSO-UHFFFAOYSA-N 0 0 246.360 3.616 20 30 BHEDRN CCC1(C)CCC(=NNCC(C)C)CC1 ZINC000771562712 585596302 /nfs/dbraw/zinc/59/63/02/585596302.db2.gz QWDUEFCSHWFKKJ-UHFFFAOYSA-N 0 0 210.365 3.578 20 30 BHEDRN Cc1cnc(CSc2ccccc2C#N)s1 ZINC000771563023 585596121 /nfs/dbraw/zinc/59/61/21/585596121.db2.gz KDFRMTXNGHCTDX-UHFFFAOYSA-N 0 0 246.360 3.616 20 30 BHEDRN CC(C)CNN=C1C[C@@H](c2ccccc2)C1(C)C ZINC000771565992 585596382 /nfs/dbraw/zinc/59/63/82/585596382.db2.gz CBSNTMXMYPSUQO-AWEZNQCLSA-N 0 0 244.382 3.802 20 30 BHEDRN CC(C)CNN=C1C[C@H](c2ccccc2)C1(C)C ZINC000771565993 585596327 /nfs/dbraw/zinc/59/63/27/585596327.db2.gz CBSNTMXMYPSUQO-CQSZACIVSA-N 0 0 244.382 3.802 20 30 BHEDRN CC(CC(C)(C)c1ccccc1)=NNCC(C)C ZINC000771566005 585596431 /nfs/dbraw/zinc/59/64/31/585596431.db2.gz CETDUJDFIAUJLB-UHFFFAOYSA-N 0 0 246.398 3.976 20 30 BHEDRN Cc1cc(Cl)cc(C)c1C=NNCC(C)C ZINC000771566998 585596379 /nfs/dbraw/zinc/59/63/79/585596379.db2.gz LXOGWBHHWQWSIA-UHFFFAOYSA-N 0 0 238.762 3.536 20 30 BHEDRN CC(C)CNN=Cc1cc(Cl)ccc1Cl ZINC000771567544 585004421 /nfs/dbraw/zinc/00/44/21/585004421.db2.gz PUSFXLQXSWSNMD-UHFFFAOYSA-N 0 0 245.153 3.573 20 30 BHEDRN CCCC[C@@H]1CCCC1=NNCC(C)C ZINC000771567602 585596414 /nfs/dbraw/zinc/59/64/14/585596414.db2.gz QLGQQBRYGKIGLE-GFCCVEGCSA-N 0 0 210.365 3.578 20 30 BHEDRN CCCC[C@H]1CCCC1=NNCC(C)C ZINC000771567607 585596364 /nfs/dbraw/zinc/59/63/64/585596364.db2.gz QLGQQBRYGKIGLE-LBPRGKRZSA-N 0 0 210.365 3.578 20 30 BHEDRN CC(C)CNN=C(C(C)C)C1CCCCC1 ZINC000771567820 585596354 /nfs/dbraw/zinc/59/63/54/585596354.db2.gz UGSFIUFOTIBGLC-UHFFFAOYSA-N 0 0 224.392 3.824 20 30 BHEDRN CC(=NNCC(C)C)[C@@H](C)C1CCCCC1 ZINC000771568038 585596360 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YZKYOHRUOIXQCE-UHFFFAOYSA-N 0 0 238.400 3.625 20 30 BHEDRN Cc1cc2cc(C=NNCC(C)C)oc2cc1C ZINC000771568376 585004463 /nfs/dbraw/zinc/00/44/63/585004463.db2.gz ZLWGAGNORZSSNX-UHFFFAOYSA-N 0 0 244.338 3.629 20 30 BHEDRN C=C(C)CON=Cc1ccccc1C(F)(F)F ZINC000771654007 585598811 /nfs/dbraw/zinc/59/88/11/585598811.db2.gz PRXSUFGXSJMWEX-UHFFFAOYSA-N 0 0 243.228 3.632 20 30 BHEDRN Fc1cccc(CON=C2CCC2)c1Cl ZINC000771659805 585598836 /nfs/dbraw/zinc/59/88/36/585598836.db2.gz IYJSZWMIFIJOQT-UHFFFAOYSA-N 0 0 227.666 3.536 20 30 BHEDRN C=C(C)COc1cc(Cl)c(C=O)cc1Cl ZINC000771670844 585598992 /nfs/dbraw/zinc/59/89/92/585598992.db2.gz QMIVZZWFLFUCQK-UHFFFAOYSA-N 0 0 245.105 3.761 20 30 BHEDRN C#CCCCCc1nc(C2(CC)CCCC2)no1 ZINC000771718632 585599086 /nfs/dbraw/zinc/59/90/86/585599086.db2.gz PEAVGOBXVMZLTE-UHFFFAOYSA-N 0 0 246.354 3.637 20 30 BHEDRN C=CCCCC(=O)Nc1ccc(C2CC2)cc1 ZINC000771735260 585599386 /nfs/dbraw/zinc/59/93/86/585599386.db2.gz SMTUAWGLXXEKLV-UHFFFAOYSA-N 0 0 229.323 3.859 20 30 BHEDRN CCC(CC)(CC)CNc1cccc(CC#N)n1 ZINC000771755778 585599523 /nfs/dbraw/zinc/59/95/23/585599523.db2.gz IDOFSAFVDNEUDF-UHFFFAOYSA-N 0 0 245.370 3.776 20 30 BHEDRN N#CCc1cccc(NCCC2CCCCC2)n1 ZINC000771756333 585599645 /nfs/dbraw/zinc/59/96/45/585599645.db2.gz GTCFZFBXJDDMRO-UHFFFAOYSA-N 0 0 243.354 3.530 20 30 BHEDRN C#CC[C@H](Nc1cccc(C)n1)c1ccccc1 ZINC000771757640 585599506 /nfs/dbraw/zinc/59/95/06/585599506.db2.gz VQFMHWOCXGIWKC-HNNXBMFYSA-N 0 0 236.318 3.567 20 30 BHEDRN C#CC[C@@H](Nc1cccc(C)n1)c1ccccc1 ZINC000771757643 585599691 /nfs/dbraw/zinc/59/96/91/585599691.db2.gz VQFMHWOCXGIWKC-OAHLLOKOSA-N 0 0 236.318 3.567 20 30 BHEDRN C=CCN(C(=O)CCCCCC(C)C)C1CC1 ZINC000771818169 585601253 /nfs/dbraw/zinc/60/12/53/585601253.db2.gz GOADKZOQJAOUJB-UHFFFAOYSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCN(C(=O)C=C(CCC)CCC)C1CC1 ZINC000771818951 585601353 /nfs/dbraw/zinc/60/13/53/585601353.db2.gz OBZKQYGJDXKOSV-UHFFFAOYSA-N 0 0 235.371 3.690 20 30 BHEDRN C=CCN(C(=O)C[C@H](C)CCCCC)C1CC1 ZINC000771818952 585601196 /nfs/dbraw/zinc/60/11/96/585601196.db2.gz OCXJLAFUSCTERK-CYBMUJFWSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCN(C(=O)C[C@@H](C)CCCCC)C1CC1 ZINC000771818954 585601223 /nfs/dbraw/zinc/60/12/23/585601223.db2.gz OCXJLAFUSCTERK-ZDUSSCGKSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCN(C(=O)CCCCCCC)C1CC1 ZINC000771819537 585601233 /nfs/dbraw/zinc/60/12/33/585601233.db2.gz SHKVALUYTBEKLJ-UHFFFAOYSA-N 0 0 223.360 3.524 20 30 BHEDRN C=CCN(C(=O)CCCCCCCC)C1CC1 ZINC000771819577 585601177 /nfs/dbraw/zinc/60/11/77/585601177.db2.gz UBVUXVDMRZEQBW-UHFFFAOYSA-N 0 0 237.387 3.914 20 30 BHEDRN C=CCN(C(=O)C=C1CCC(C)(C)CC1)C1CC1 ZINC000771819906 585601324 /nfs/dbraw/zinc/60/13/24/585601324.db2.gz XGHBLFJVDHAHNO-UHFFFAOYSA-N 0 0 247.382 3.690 20 30 BHEDRN C=CCN(C(=O)[C@H](C)CCCCCC)C1CC1 ZINC000771819934 585601295 /nfs/dbraw/zinc/60/12/95/585601295.db2.gz YLPWCIMRPYRRKK-CYBMUJFWSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCN(C(=O)[C@@H](C)CCCCCC)C1CC1 ZINC000771819935 585601264 /nfs/dbraw/zinc/60/12/64/585601264.db2.gz YLPWCIMRPYRRKK-ZDUSSCGKSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCN(C(=O)C1CCCCCCC1)C1CC1 ZINC000771828183 585601497 /nfs/dbraw/zinc/60/14/97/585601497.db2.gz SXDMGRRJDIYYBZ-UHFFFAOYSA-N 0 0 235.371 3.524 20 30 BHEDRN O=C(/C=C\c1cscc1Cl)c1cccnc1 ZINC000771838524 585601839 /nfs/dbraw/zinc/60/18/39/585601839.db2.gz QLEKAVNLGJAJTB-ARJAWSKDSA-N 0 0 249.722 3.693 20 30 BHEDRN O=C(/C=C/c1cscc1Cl)c1cccnc1 ZINC000771838532 585601822 /nfs/dbraw/zinc/60/18/22/585601822.db2.gz QLEKAVNLGJAJTB-ONEGZZNKSA-N 0 0 249.722 3.693 20 30 BHEDRN O=C(/C=C\c1cscc1Cl)c1ccco1 ZINC000771859531 585602717 /nfs/dbraw/zinc/60/27/17/585602717.db2.gz NPJMJLJPJXVTFD-ARJAWSKDSA-N 0 0 238.695 3.891 20 30 BHEDRN O=C(/C=C/c1cscc1Cl)c1ccco1 ZINC000771859538 585602672 /nfs/dbraw/zinc/60/26/72/585602672.db2.gz NPJMJLJPJXVTFD-ONEGZZNKSA-N 0 0 238.695 3.891 20 30 BHEDRN Clc1cscc1C=NNc1ccccc1 ZINC000771871327 644690535 /nfs/dbraw/zinc/69/05/35/644690535.db2.gz BBARVQWQRPEYAI-UHFFFAOYSA-N 0 0 236.727 3.848 20 30 BHEDRN CCCCNc1ccc(OC(C)C)c(C#N)c1 ZINC000771880963 585603292 /nfs/dbraw/zinc/60/32/92/585603292.db2.gz NWTUQNSTHMKVTN-UHFFFAOYSA-N 0 0 232.327 3.557 20 30 BHEDRN CCCCCC1=CCCC1=NN[C@H](C)CC#N ZINC000771881016 585603307 /nfs/dbraw/zinc/60/33/07/585603307.db2.gz PKHXNOJJGGHXMC-GFCCVEGCSA-N 0 0 233.359 3.535 20 30 BHEDRN CCCCCC1=CCCC1=NN[C@@H](C)CC#N ZINC000771881017 585603153 /nfs/dbraw/zinc/60/31/53/585603153.db2.gz PKHXNOJJGGHXMC-LBPRGKRZSA-N 0 0 233.359 3.535 20 30 BHEDRN CCC(CC)NN=Cc1cscc1Cl ZINC000771883236 585603252 /nfs/dbraw/zinc/60/32/52/585603252.db2.gz GDYMZBYLDJKSGI-UHFFFAOYSA-N 0 0 230.764 3.514 20 30 BHEDRN CC(CCC1CCCCC1)=NN[C@H](C)CC#N ZINC000771885678 585603494 /nfs/dbraw/zinc/60/34/94/585603494.db2.gz OZLBDAYUDRFJAK-CYBMUJFWSA-N 0 0 235.375 3.615 20 30 BHEDRN CC(CCC1CCCCC1)=NN[C@@H](C)CC#N ZINC000771885680 585603511 /nfs/dbraw/zinc/60/35/11/585603511.db2.gz OZLBDAYUDRFJAK-ZDUSSCGKSA-N 0 0 235.375 3.615 20 30 BHEDRN C=CCCCNc1ccc(OC(C)C)c(C#N)c1 ZINC000771885957 585603452 /nfs/dbraw/zinc/60/34/52/585603452.db2.gz QXCJVEDXCATSPC-UHFFFAOYSA-N 0 0 244.338 3.724 20 30 BHEDRN CC(C)=CCC[C@H](C)CC=NN[C@@H](C)CC#N ZINC000771886827 585603642 /nfs/dbraw/zinc/60/36/42/585603642.db2.gz SFPSMZZRWRDITH-KBPBESRZSA-N 0 0 235.375 3.637 20 30 BHEDRN CC(C)=CCC[C@@H](C)CC=NN[C@@H](C)CC#N ZINC000771886832 585603554 /nfs/dbraw/zinc/60/35/54/585603554.db2.gz SFPSMZZRWRDITH-KGLIPLIRSA-N 0 0 235.375 3.637 20 30 BHEDRN CC(C)=CCC[C@H](C)CC=NN[C@H](C)CC#N ZINC000771886833 585603609 /nfs/dbraw/zinc/60/36/09/585603609.db2.gz SFPSMZZRWRDITH-UONOGXRCSA-N 0 0 235.375 3.637 20 30 BHEDRN CC(C)=CCC[C@@H](C)CC=NN[C@H](C)CC#N ZINC000771886834 585603707 /nfs/dbraw/zinc/60/37/07/585603707.db2.gz SFPSMZZRWRDITH-ZIAGYGMSSA-N 0 0 235.375 3.637 20 30 BHEDRN CCCC(=NN[C@H](C)CC#N)C1CCCCC1 ZINC000771887378 585010726 /nfs/dbraw/zinc/01/07/26/585010726.db2.gz FWPAUPZBCQZLEM-GFCCVEGCSA-N 0 0 235.375 3.615 20 30 BHEDRN CCCC(=NN[C@@H](C)CC#N)C1CCCCC1 ZINC000771887553 585010628 /nfs/dbraw/zinc/01/06/28/585010628.db2.gz FWPAUPZBCQZLEM-LBPRGKRZSA-N 0 0 235.375 3.615 20 30 BHEDRN CCCCCCCC(=O)OCc1ncccc1C ZINC000771917298 585604390 /nfs/dbraw/zinc/60/43/90/585604390.db2.gz FGRRNJWOSBNMDI-UHFFFAOYSA-N 0 0 249.354 3.794 20 30 BHEDRN C=CCN(Cc1cccc(F)c1Cl)C(C)C ZINC000772174219 585609522 /nfs/dbraw/zinc/60/95/22/585609522.db2.gz GEBRSCLLTUAISI-UHFFFAOYSA-N 0 0 241.737 3.876 20 30 BHEDRN CCCCCCCCNC(=O)C1(F)CCCC1 ZINC000772182574 585609377 /nfs/dbraw/zinc/60/93/77/585609377.db2.gz KKQXYDSRDCBMDM-UHFFFAOYSA-N 0 0 243.366 3.745 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C(C)=C\C(C)(C)C ZINC000772219195 585610345 /nfs/dbraw/zinc/61/03/45/585610345.db2.gz JOZJKGHPMDNCFV-HHQWOOOKSA-N 0 0 237.387 3.840 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C(C)=C/C(C)(C)C ZINC000772219197 585610209 /nfs/dbraw/zinc/61/02/09/585610209.db2.gz JOZJKGHPMDNCFV-XZHRJIJLSA-N 0 0 237.387 3.840 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C(C)=C\C(C)(C)C ZINC000772219198 585610269 /nfs/dbraw/zinc/61/02/69/585610269.db2.gz JOZJKGHPMDNCFV-YLGBQOPLSA-N 0 0 237.387 3.840 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C(C)=C/C(C)(C)C ZINC000772219200 585610163 /nfs/dbraw/zinc/61/01/63/585610163.db2.gz JOZJKGHPMDNCFV-YLSINNKHSA-N 0 0 237.387 3.840 20 30 BHEDRN CCCCCCCC(=O)OCc1ccc(C)cn1 ZINC000772263989 585611541 /nfs/dbraw/zinc/61/15/41/585611541.db2.gz TUYAGPPVYXPDFF-UHFFFAOYSA-N 0 0 249.354 3.794 20 30 BHEDRN CC(C)=CCSCc1ccc(OCC#N)cc1 ZINC000772265046 585611479 /nfs/dbraw/zinc/61/14/79/585611479.db2.gz BRCUNMGNSHPONR-UHFFFAOYSA-N 0 0 247.363 3.788 20 30 BHEDRN C[C@H](CC(C)(C)C)C(=O)OCCC(C)(C)C#N ZINC000772626764 585619332 /nfs/dbraw/zinc/61/93/32/585619332.db2.gz SFCPQKZZPIEQEO-LLVKDONJSA-N 0 0 239.359 3.542 20 30 BHEDRN C[C@@H](CC(C)(C)C)C(=O)OCCC(C)(C)C#N ZINC000772626781 585619279 /nfs/dbraw/zinc/61/92/79/585619279.db2.gz SFCPQKZZPIEQEO-NSHDSACASA-N 0 0 239.359 3.542 20 30 BHEDRN CCCCCCCC(=O)N1CCCC[C@H](C)C1 ZINC000772636094 585619519 /nfs/dbraw/zinc/61/95/19/585619519.db2.gz QQGXZUIEDHPSOB-AWEZNQCLSA-N 0 0 239.403 3.996 20 30 BHEDRN CCCCCCCC(=O)N1CCCC[C@@H](C)C1 ZINC000772636095 585619498 /nfs/dbraw/zinc/61/94/98/585619498.db2.gz QQGXZUIEDHPSOB-CQSZACIVSA-N 0 0 239.403 3.996 20 30 BHEDRN CCCCCCCC(=O)OCc1ccc(C)nc1 ZINC000772674447 585620482 /nfs/dbraw/zinc/62/04/82/585620482.db2.gz XQVQNEKEZWTCQK-UHFFFAOYSA-N 0 0 249.354 3.794 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@H](C)c1ccccc1 ZINC000772757144 585622769 /nfs/dbraw/zinc/62/27/69/585622769.db2.gz NYXWZRUXTIJFDY-CHWSQXEVSA-N 0 0 232.323 3.688 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@@H](C)c1ccccc1 ZINC000772757147 585622653 /nfs/dbraw/zinc/62/26/53/585622653.db2.gz NYXWZRUXTIJFDY-OLZOCXBDSA-N 0 0 232.323 3.688 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1cccc2cc[nH]c21 ZINC000772777548 585623392 /nfs/dbraw/zinc/62/33/92/585623392.db2.gz ISPYERJSFNWZLC-LLVKDONJSA-N 0 0 243.306 3.679 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1cccc2cc[nH]c21 ZINC000772777549 585623509 /nfs/dbraw/zinc/62/35/09/585623509.db2.gz ISPYERJSFNWZLC-NSHDSACASA-N 0 0 243.306 3.679 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)CCc1ccccc1 ZINC000772777611 585623538 /nfs/dbraw/zinc/62/35/38/585623538.db2.gz LFPFGESMKSEYLX-CYBMUJFWSA-N 0 0 232.323 3.517 20 30 BHEDRN C=CCC[C@H](C)OC(=O)CCc1ccccc1 ZINC000772777613 585623464 /nfs/dbraw/zinc/62/34/64/585623464.db2.gz LFPFGESMKSEYLX-ZDUSSCGKSA-N 0 0 232.323 3.517 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)CC1=CCCCC1 ZINC000772777730 585623394 /nfs/dbraw/zinc/62/33/94/585623394.db2.gz MAJMUUMWTARWGA-GFCCVEGCSA-N 0 0 222.328 3.775 20 30 BHEDRN C=CCC[C@H](C)OC(=O)CC1=CCCCC1 ZINC000772777731 585623353 /nfs/dbraw/zinc/62/33/53/585623353.db2.gz MAJMUUMWTARWGA-LBPRGKRZSA-N 0 0 222.328 3.775 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1cc2ccsc2[nH]1 ZINC000772778394 585623331 /nfs/dbraw/zinc/62/33/31/585623331.db2.gz QLBPLRUYEMJOBE-SECBINFHSA-N 0 0 249.335 3.741 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1cc2ccsc2[nH]1 ZINC000772778395 585623552 /nfs/dbraw/zinc/62/35/52/585623552.db2.gz QLBPLRUYEMJOBE-VIFPVBQESA-N 0 0 249.335 3.741 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1ccc(C(C)C)nc1 ZINC000772779338 585623326 /nfs/dbraw/zinc/62/33/26/585623326.db2.gz ZMKSCSSOCFFATH-GFCCVEGCSA-N 0 0 247.338 3.717 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1ccc(C(C)C)nc1 ZINC000772779340 585623375 /nfs/dbraw/zinc/62/33/75/585623375.db2.gz ZMKSCSSOCFFATH-LBPRGKRZSA-N 0 0 247.338 3.717 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1cccc(C(C)C)n1 ZINC000772780004 585623322 /nfs/dbraw/zinc/62/33/22/585623322.db2.gz BBGCOJSIDLHVSH-GFCCVEGCSA-N 0 0 247.338 3.717 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1cccc(C(C)C)n1 ZINC000772780005 585623443 /nfs/dbraw/zinc/62/34/43/585623443.db2.gz BBGCOJSIDLHVSH-LBPRGKRZSA-N 0 0 247.338 3.717 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1cccn1C(C)C ZINC000772780022 585016654 /nfs/dbraw/zinc/01/66/54/585016654.db2.gz BQAKHZZVZBZSTQ-GFCCVEGCSA-N 0 0 235.327 3.581 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1cccn1C(C)C ZINC000772780023 585016666 /nfs/dbraw/zinc/01/66/66/585016666.db2.gz BQAKHZZVZBZSTQ-LBPRGKRZSA-N 0 0 235.327 3.581 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@@H](C)C(C)(C)C ZINC000772780367 585623729 /nfs/dbraw/zinc/62/37/29/585623729.db2.gz IIBQAKUVPWWOQB-GHMZBOCLSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@H](C)C(C)(C)C ZINC000772780369 585623275 /nfs/dbraw/zinc/62/32/75/585623275.db2.gz IIBQAKUVPWWOQB-MNOVXSKESA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@H](C)C(C)(C)C ZINC000772780370 585623199 /nfs/dbraw/zinc/62/31/99/585623199.db2.gz IIBQAKUVPWWOQB-QWRGUYRKSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@@H](C)C(C)(C)C ZINC000772780372 585623440 /nfs/dbraw/zinc/62/34/40/585623440.db2.gz IIBQAKUVPWWOQB-WDEREUQCSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)CCCC(F)(F)F ZINC000772780553 585016650 /nfs/dbraw/zinc/01/66/50/585016650.db2.gz KBEDNTXJNBXUFN-SECBINFHSA-N 0 0 238.249 3.617 20 30 BHEDRN C=CCC[C@H](C)OC(=O)CCCC(F)(F)F ZINC000772780554 585016658 /nfs/dbraw/zinc/01/66/58/585016658.db2.gz KBEDNTXJNBXUFN-VIFPVBQESA-N 0 0 238.249 3.617 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1cc(C)ccc1F ZINC000772780555 585016648 /nfs/dbraw/zinc/01/66/48/585016648.db2.gz KEMORMWFTMCDQF-LLVKDONJSA-N 0 0 236.286 3.646 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1cc(C)ccc1F ZINC000772780556 585016639 /nfs/dbraw/zinc/01/66/39/585016639.db2.gz KEMORMWFTMCDQF-NSHDSACASA-N 0 0 236.286 3.646 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1ccccc1Cl ZINC000772780643 585623395 /nfs/dbraw/zinc/62/33/95/585623395.db2.gz LYFSJPFVYNMZOX-JTQLQIEISA-N 0 0 238.714 3.852 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1ccccc1Cl ZINC000772780652 585623531 /nfs/dbraw/zinc/62/35/31/585623531.db2.gz LYFSJPFVYNMZOX-SNVBAGLBSA-N 0 0 238.714 3.852 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@@H](SCC)C(C)C ZINC000772780864 585623723 /nfs/dbraw/zinc/62/37/23/585623723.db2.gz RVLCMLOTASHNGM-NEPJUHHUSA-N 0 0 244.400 3.662 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@H](SCC)C(C)C ZINC000772780865 585623633 /nfs/dbraw/zinc/62/36/33/585623633.db2.gz RVLCMLOTASHNGM-NWDGAFQWSA-N 0 0 244.400 3.662 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@@H](SCC)C(C)C ZINC000772780866 585623629 /nfs/dbraw/zinc/62/36/29/585623629.db2.gz RVLCMLOTASHNGM-RYUDHWBXSA-N 0 0 244.400 3.662 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@H](SCC)C(C)C ZINC000772780867 585623722 /nfs/dbraw/zinc/62/37/22/585623722.db2.gz RVLCMLOTASHNGM-VXGBXAGGSA-N 0 0 244.400 3.662 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)/C=C\c1ccsc1 ZINC000772780898 585623616 /nfs/dbraw/zinc/62/36/16/585623616.db2.gz ARIIFNPTTWXLML-JMEBYUIHSA-N 0 0 236.336 3.659 20 30 BHEDRN C=CCC[C@H](C)OC(=O)/C=C/c1ccsc1 ZINC000772780899 585623734 /nfs/dbraw/zinc/62/37/34/585623734.db2.gz ARIIFNPTTWXLML-MLRMMBSGSA-N 0 0 236.336 3.659 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)/C=C/c1ccsc1 ZINC000772780900 585623759 /nfs/dbraw/zinc/62/37/59/585623759.db2.gz ARIIFNPTTWXLML-XUIVZRPNSA-N 0 0 236.336 3.659 20 30 BHEDRN C=CCC[C@H](C)OC(=O)/C=C\c1ccsc1 ZINC000772780901 585623756 /nfs/dbraw/zinc/62/37/56/585623756.db2.gz ARIIFNPTTWXLML-ZADCQDASSA-N 0 0 236.336 3.659 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1ccc(C)cc1F ZINC000772780932 585623708 /nfs/dbraw/zinc/62/37/08/585623708.db2.gz LMGTTXRBMVIZIV-LLVKDONJSA-N 0 0 236.286 3.646 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1ccc(C)cc1F ZINC000772780933 585623619 /nfs/dbraw/zinc/62/36/19/585623619.db2.gz LMGTTXRBMVIZIV-NSHDSACASA-N 0 0 236.286 3.646 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)C(CC=C)CC=C ZINC000772780967 585623666 /nfs/dbraw/zinc/62/36/66/585623666.db2.gz SRHBWHPCDWGISG-GFCCVEGCSA-N 0 0 222.328 3.653 20 30 BHEDRN C=CCC[C@H](C)OC(=O)C(CC=C)CC=C ZINC000772780968 585623719 /nfs/dbraw/zinc/62/37/19/585623719.db2.gz SRHBWHPCDWGISG-LBPRGKRZSA-N 0 0 222.328 3.653 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)CSCCC(C)C ZINC000772781044 585623672 /nfs/dbraw/zinc/62/36/72/585623672.db2.gz MYHRYKSLKNNCBK-GFCCVEGCSA-N 0 0 244.400 3.664 20 30 BHEDRN C=CCC[C@H](C)OC(=O)CSCCC(C)C ZINC000772781047 585623691 /nfs/dbraw/zinc/62/36/91/585623691.db2.gz MYHRYKSLKNNCBK-LBPRGKRZSA-N 0 0 244.400 3.664 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1sccc1C ZINC000772781115 643745247 /nfs/dbraw/zinc/74/52/47/643745247.db2.gz VNUBPORQSWVKIN-JTQLQIEISA-N 0 0 224.325 3.568 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1sccc1C ZINC000772781117 643745773 /nfs/dbraw/zinc/74/57/73/643745773.db2.gz VNUBPORQSWVKIN-SNVBAGLBSA-N 0 0 224.325 3.568 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1cccc(C)c1F ZINC000772781317 585623745 /nfs/dbraw/zinc/62/37/45/585623745.db2.gz HPJOAWANPSPUHP-LLVKDONJSA-N 0 0 236.286 3.646 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1cccc(C)c1F ZINC000772781341 585623667 /nfs/dbraw/zinc/62/36/67/585623667.db2.gz HPJOAWANPSPUHP-NSHDSACASA-N 0 0 236.286 3.646 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@H](C)SCCCC ZINC000772781409 585623593 /nfs/dbraw/zinc/62/35/93/585623593.db2.gz IGGKVJCVEHRSTO-NEPJUHHUSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@@H](C)SCCCC ZINC000772781411 643746023 /nfs/dbraw/zinc/74/60/23/643746023.db2.gz IGGKVJCVEHRSTO-NWDGAFQWSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@H](C)SCCCC ZINC000772781412 643745731 /nfs/dbraw/zinc/74/57/31/643745731.db2.gz IGGKVJCVEHRSTO-RYUDHWBXSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@@H](C)SCCCC ZINC000772781414 643744970 /nfs/dbraw/zinc/74/49/70/643744970.db2.gz IGGKVJCVEHRSTO-VXGBXAGGSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1cscc1C ZINC000772782627 585623677 /nfs/dbraw/zinc/62/36/77/585623677.db2.gz WFLKMCAVUACUGK-JTQLQIEISA-N 0 0 224.325 3.568 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1cscc1C ZINC000772782629 585623758 /nfs/dbraw/zinc/62/37/58/585623758.db2.gz WFLKMCAVUACUGK-SNVBAGLBSA-N 0 0 224.325 3.568 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)C1(c2ccccc2)CC1 ZINC000772782673 585623930 /nfs/dbraw/zinc/62/39/30/585623930.db2.gz XTFFIIGOLZLGSG-CYBMUJFWSA-N 0 0 244.334 3.616 20 30 BHEDRN C=CCC[C@H](C)OC(=O)C1(c2ccccc2)CC1 ZINC000772782674 585623925 /nfs/dbraw/zinc/62/39/25/585623925.db2.gz XTFFIIGOLZLGSG-ZDUSSCGKSA-N 0 0 244.334 3.616 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)/C=C/c1cccs1 ZINC000772783855 585623938 /nfs/dbraw/zinc/62/39/38/585623938.db2.gz DOLXNROTNKPWAI-ANYFNZRUSA-N 0 0 236.336 3.659 20 30 BHEDRN C=CCC[C@H](C)OC(=O)/C=C/c1cccs1 ZINC000772783858 585623866 /nfs/dbraw/zinc/62/38/66/585623866.db2.gz DOLXNROTNKPWAI-FBOQAHMBSA-N 0 0 236.336 3.659 20 30 BHEDRN C=CCC[C@H](C)OC(=O)/C=C\c1cccs1 ZINC000772783859 585623800 /nfs/dbraw/zinc/62/38/00/585623800.db2.gz DOLXNROTNKPWAI-IQQGHNRFSA-N 0 0 236.336 3.659 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)/C=C\c1cccs1 ZINC000772783860 585623935 /nfs/dbraw/zinc/62/39/35/585623935.db2.gz DOLXNROTNKPWAI-TYBABMIJSA-N 0 0 236.336 3.659 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@H](C)c1ccc(C)o1 ZINC000772784756 585623806 /nfs/dbraw/zinc/62/38/06/585623806.db2.gz LYXTZFOLTOQFLH-CMPLNLGQSA-N 0 0 236.311 3.589 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@@H](C)c1ccc(C)o1 ZINC000772784760 585624001 /nfs/dbraw/zinc/62/40/01/585624001.db2.gz LYXTZFOLTOQFLH-JQWIXIFHSA-N 0 0 236.311 3.589 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@@H](C)c1ccc(C)o1 ZINC000772784761 585623932 /nfs/dbraw/zinc/62/39/32/585623932.db2.gz LYXTZFOLTOQFLH-PWSUYJOCSA-N 0 0 236.311 3.589 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@H](C)c1ccc(C)o1 ZINC000772784763 585624010 /nfs/dbraw/zinc/62/40/10/585624010.db2.gz LYXTZFOLTOQFLH-ZYHUDNBSSA-N 0 0 236.311 3.589 20 30 BHEDRN C=CCC[C@H](C)OC(=O)/C=C\c1ccccc1 ZINC000772785059 585623808 /nfs/dbraw/zinc/62/38/08/585623808.db2.gz OJSMLUMEHAPYDP-HHQWOOOKSA-N 0 0 230.307 3.598 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)/C=C/c1ccccc1 ZINC000772785062 585623776 /nfs/dbraw/zinc/62/37/76/585623776.db2.gz OJSMLUMEHAPYDP-XZHRJIJLSA-N 0 0 230.307 3.598 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)/C=C\c1ccccc1 ZINC000772785064 585624009 /nfs/dbraw/zinc/62/40/09/585624009.db2.gz OJSMLUMEHAPYDP-YLGBQOPLSA-N 0 0 230.307 3.598 20 30 BHEDRN C=CCC[C@H](C)OC(=O)/C=C/c1ccccc1 ZINC000772785067 585623976 /nfs/dbraw/zinc/62/39/76/585623976.db2.gz OJSMLUMEHAPYDP-YLSINNKHSA-N 0 0 230.307 3.598 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1ccc(C)s1 ZINC000772785237 585623953 /nfs/dbraw/zinc/62/39/53/585623953.db2.gz FKNRPXACISCAEB-SECBINFHSA-N 0 0 224.325 3.568 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1ccc(C)s1 ZINC000772785238 585623802 /nfs/dbraw/zinc/62/38/02/585623802.db2.gz FKNRPXACISCAEB-VIFPVBQESA-N 0 0 224.325 3.568 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)C(C)(C)c1ccccc1 ZINC000772785662 585624003 /nfs/dbraw/zinc/62/40/03/585624003.db2.gz UHXFUDOFFLMYQV-CYBMUJFWSA-N 0 0 246.350 3.862 20 30 BHEDRN C=CCC[C@H](C)OC(=O)C(C)(C)c1ccccc1 ZINC000772785663 585623904 /nfs/dbraw/zinc/62/39/04/585623904.db2.gz UHXFUDOFFLMYQV-ZDUSSCGKSA-N 0 0 246.350 3.862 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)C1(F)CCCC1 ZINC000772795771 585624530 /nfs/dbraw/zinc/62/45/30/585624530.db2.gz XIRAGRAAUXQCBH-LLVKDONJSA-N 0 0 228.307 3.557 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)C1(F)CCCC1 ZINC000772795772 585624485 /nfs/dbraw/zinc/62/44/85/585624485.db2.gz XIRAGRAAUXQCBH-NSHDSACASA-N 0 0 228.307 3.557 20 30 BHEDRN O=C(/C=C/c1cncc2ccccc12)c1ccco1 ZINC000772801134 585624395 /nfs/dbraw/zinc/62/43/95/585624395.db2.gz JFMASJLTPDCHGV-BQYQJAHWSA-N 0 0 249.269 3.724 20 30 BHEDRN O=C(/C=C\c1cncc2ccccc12)c1ccco1 ZINC000772801152 585624391 /nfs/dbraw/zinc/62/43/91/585624391.db2.gz JFMASJLTPDCHGV-FPLPWBNLSA-N 0 0 249.269 3.724 20 30 BHEDRN Cc1ccc(N=NC2CC3(CCC3)C2)cc1 ZINC000772830084 585624929 /nfs/dbraw/zinc/62/49/29/585624929.db2.gz HCTFDGSWOUQVGR-UHFFFAOYSA-N 0 0 214.312 3.727 20 30 BHEDRN Fc1ccc(N=NC2CC3(CCC3)C2)cc1 ZINC000772830676 585624965 /nfs/dbraw/zinc/62/49/65/585624965.db2.gz LCBKVFKNEOSLRP-UHFFFAOYSA-N 0 0 218.275 3.558 20 30 BHEDRN Fc1ccc(N=NC2CC3(CCC3)C2)c(F)c1 ZINC000772831444 585624959 /nfs/dbraw/zinc/62/49/59/585624959.db2.gz VNUBXBNKCMPRAF-UHFFFAOYSA-N 0 0 236.265 3.697 20 30 BHEDRN Cc1cccc(N=NC2CC3(CCC3)C2)c1 ZINC000772831486 585625022 /nfs/dbraw/zinc/62/50/22/585625022.db2.gz VWFITASCTVASTM-UHFFFAOYSA-N 0 0 214.312 3.727 20 30 BHEDRN C(=NNc1ccccc1)c1cncc2ccccc12 ZINC000772831931 585625098 /nfs/dbraw/zinc/62/50/98/585625098.db2.gz ZDEBSABLTZVDCG-UHFFFAOYSA-N 0 0 247.301 3.681 20 30 BHEDRN CCc1ccccc1N=NC1CC2(CCC2)C1 ZINC000772839342 585625120 /nfs/dbraw/zinc/62/51/20/585625120.db2.gz CCULOEUNNXJGDH-UHFFFAOYSA-N 0 0 228.339 3.981 20 30 BHEDRN Fc1cc(F)cc(N=NC2CC3(CCC3)C2)c1 ZINC000772839632 585625164 /nfs/dbraw/zinc/62/51/64/585625164.db2.gz DRRFPHOABLEGIS-UHFFFAOYSA-N 0 0 236.265 3.697 20 30 BHEDRN Clc1ccccc1CNN=C1CC2(CCC2)C1 ZINC000772839709 585625236 /nfs/dbraw/zinc/62/52/36/585625236.db2.gz GAUYTPVZKQXBIS-UHFFFAOYSA-N 0 0 248.757 3.750 20 30 BHEDRN Fc1ccccc1N=NC1CC2(CCC2)C1 ZINC000772840811 585625266 /nfs/dbraw/zinc/62/52/66/585625266.db2.gz KJURVJDTJSGGTE-UHFFFAOYSA-N 0 0 218.275 3.558 20 30 BHEDRN Fc1cccc(N=NC2CC3(CCC3)C2)c1 ZINC000772841736 585625108 /nfs/dbraw/zinc/62/51/08/585625108.db2.gz UVBDSESSYAFZFC-UHFFFAOYSA-N 0 0 218.275 3.558 20 30 BHEDRN C[C@@H](NN=C1CC2(CCC2)C1)c1ccccc1 ZINC000772841747 585625265 /nfs/dbraw/zinc/62/52/65/585625265.db2.gz VEDROXBETIIIDC-GFCCVEGCSA-N 0 0 228.339 3.657 20 30 BHEDRN C[C@H](NN=C1CC2(CCC2)C1)c1ccccc1 ZINC000772841749 585625186 /nfs/dbraw/zinc/62/51/86/585625186.db2.gz VEDROXBETIIIDC-LBPRGKRZSA-N 0 0 228.339 3.657 20 30 BHEDRN c1ccc(CCCNN=C2CC3(CCC3)C2)cc1 ZINC000772842006 585625139 /nfs/dbraw/zinc/62/51/39/585625139.db2.gz LFMIPZDAJAWLBA-UHFFFAOYSA-N 0 0 242.366 3.529 20 30 BHEDRN c1ccc(CON=C2CC3(CCC3)C2)cc1 ZINC000772842192 585625110 /nfs/dbraw/zinc/62/51/10/585625110.db2.gz YUNIKENRKWYMJU-UHFFFAOYSA-N 0 0 215.296 3.523 20 30 BHEDRN Clc1cccc(CNN=C2CC3(CCC3)C2)c1 ZINC000772842866 585625251 /nfs/dbraw/zinc/62/52/51/585625251.db2.gz DHSXEJHHWUBPDU-UHFFFAOYSA-N 0 0 248.757 3.750 20 30 BHEDRN Clc1ccc(CNN=C2CC3(CCC3)C2)cc1 ZINC000772844123 585625291 /nfs/dbraw/zinc/62/52/91/585625291.db2.gz KTHRWACOMAGQOA-UHFFFAOYSA-N 0 0 248.757 3.750 20 30 BHEDRN Fc1cccc(N=NC2CC3(CCC3)C2)c1F ZINC000772844185 585625233 /nfs/dbraw/zinc/62/52/33/585625233.db2.gz FLKYSFQLOVXAEG-UHFFFAOYSA-N 0 0 236.265 3.697 20 30 BHEDRN Fc1cccc(F)c1N=NC1CC2(CCC2)C1 ZINC000772844319 585625102 /nfs/dbraw/zinc/62/51/02/585625102.db2.gz GICDFMVEASWYNZ-UHFFFAOYSA-N 0 0 236.265 3.697 20 30 BHEDRN COc1cc(F)cc(N=NC2CC3(CCC3)C2)c1 ZINC000772845683 585625127 /nfs/dbraw/zinc/62/51/27/585625127.db2.gz XKYOWYRJKNGMOP-UHFFFAOYSA-N 0 0 248.301 3.566 20 30 BHEDRN Cc1ccc(F)c(N=NC2CC3(CCC3)C2)c1 ZINC000772845685 585625298 /nfs/dbraw/zinc/62/52/98/585625298.db2.gz XLBWGGSCQXWYIL-UHFFFAOYSA-N 0 0 232.302 3.866 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@H](C)[C@@H]1CC ZINC000772870672 585625772 /nfs/dbraw/zinc/62/57/72/585625772.db2.gz YVOTZVBVWIQYCQ-KBPBESRZSA-N 0 0 239.403 3.994 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@@H](C)[C@@H]1CC ZINC000772870682 585625814 /nfs/dbraw/zinc/62/58/14/585625814.db2.gz YVOTZVBVWIQYCQ-KGLIPLIRSA-N 0 0 239.403 3.994 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@H](C)[C@H]1CC ZINC000772870688 585625884 /nfs/dbraw/zinc/62/58/84/585625884.db2.gz YVOTZVBVWIQYCQ-UONOGXRCSA-N 0 0 239.403 3.994 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@@H](C)[C@H]1CC ZINC000772870697 585625646 /nfs/dbraw/zinc/62/56/46/585625646.db2.gz YVOTZVBVWIQYCQ-ZIAGYGMSSA-N 0 0 239.403 3.994 20 30 BHEDRN C#CCCCCC(=O)N(C)[C@@H](C)C1CCCCC1 ZINC000772911085 585627307 /nfs/dbraw/zinc/62/73/07/585627307.db2.gz UYRILYNZYHXCJG-AWEZNQCLSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCC(C)(C)C(=O)N[C@@H](C)CC1CCCCC1 ZINC000772915912 585627415 /nfs/dbraw/zinc/62/74/15/585627415.db2.gz BKTNZHCFRZJANB-ZDUSSCGKSA-N 0 0 249.398 3.511 20 30 BHEDRN C#C[C@H](C)NC(=O)[C@](C)(CC)CCCCCC ZINC000772985200 585629131 /nfs/dbraw/zinc/62/91/31/585629131.db2.gz PMPJBYXEKWWUBF-DZGCQCFKSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@@H](C)NC(=O)[C@@](C)(CC)CCCCCC ZINC000772985201 585628990 /nfs/dbraw/zinc/62/89/90/585628990.db2.gz PMPJBYXEKWWUBF-HIFRSBDPSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@@H](C)NC(=O)[C@](C)(CC)CCCCCC ZINC000772985202 585628991 /nfs/dbraw/zinc/62/89/91/585628991.db2.gz PMPJBYXEKWWUBF-UKRRQHHQSA-N 0 0 237.387 3.511 20 30 BHEDRN C#C[C@H](C)NC(=O)[C@@](C)(CC)CCCCCC ZINC000772985203 585629100 /nfs/dbraw/zinc/62/91/00/585629100.db2.gz PMPJBYXEKWWUBF-ZFWWWQNUSA-N 0 0 237.387 3.511 20 30 BHEDRN CCC(=NNc1ccccc1)c1ccc(C#N)cc1 ZINC000772991009 585628964 /nfs/dbraw/zinc/62/89/64/585628964.db2.gz QXKTUBUVVXVGEW-UHFFFAOYSA-N 0 0 249.317 3.784 20 30 BHEDRN C=C(Cl)CN[C@H](C)c1ccc2ccccc2n1 ZINC000773003282 585629176 /nfs/dbraw/zinc/62/91/76/585629176.db2.gz CLYQNFLFJUTSRU-LLVKDONJSA-N 0 0 246.741 3.638 20 30 BHEDRN C=C(Cl)CN[C@@H](C)c1ccc2ccccc2n1 ZINC000773003285 585629160 /nfs/dbraw/zinc/62/91/60/585629160.db2.gz CLYQNFLFJUTSRU-NSHDSACASA-N 0 0 246.741 3.638 20 30 BHEDRN C=C(Cl)C[NH2+][C@@H](Cc1ccc(C)cc1)C1CC1 ZINC000773005068 585629470 /nfs/dbraw/zinc/62/94/70/585629470.db2.gz NYHLEMDKJZXWBC-HNNXBMFYSA-N 0 0 249.785 3.658 20 30 BHEDRN C=C(Cl)C[NH2+][C@H](Cc1ccc(C)cc1)C1CC1 ZINC000773005071 585629609 /nfs/dbraw/zinc/62/96/09/585629609.db2.gz NYHLEMDKJZXWBC-OAHLLOKOSA-N 0 0 249.785 3.658 20 30 BHEDRN CC(C)c1nccnc1N=NC(C)CC1CCC1 ZINC000773074156 585630730 /nfs/dbraw/zinc/63/07/30/585630730.db2.gz PCMZRGCCMBLGTL-UHFFFAOYSA-N 0 0 246.358 3.578 20 30 BHEDRN CC(C)c1nccnc1N=NC1CCC(C)(C)C1 ZINC000773076804 585630877 /nfs/dbraw/zinc/63/08/77/585630877.db2.gz APDBSGBZXCIHCI-UHFFFAOYSA-N 0 0 246.358 3.578 20 30 BHEDRN CCCC(CC)N=Nc1nccnc1C(C)C ZINC000773077182 585630914 /nfs/dbraw/zinc/63/09/14/585630914.db2.gz DBPSYCQYUZIXLK-UHFFFAOYSA-N 0 0 234.347 3.578 20 30 BHEDRN CCCCCC(C)N=Nc1nccnc1C(C)C ZINC000773079045 585630928 /nfs/dbraw/zinc/63/09/28/585630928.db2.gz SGULROGMJQHPHH-UHFFFAOYSA-N 0 0 248.374 3.968 20 30 BHEDRN CCC(=NOC1CCCC1)c1ccc(C#N)cc1 ZINC000773080180 585630888 /nfs/dbraw/zinc/63/08/88/585630888.db2.gz PNOCNBNQMAHIAV-UHFFFAOYSA-N 0 0 242.322 3.632 20 30 BHEDRN CCCC(CCC)N=Nc1nccnc1C(C)C ZINC000773085356 585631224 /nfs/dbraw/zinc/63/12/24/585631224.db2.gz HPZZDNYHFRBHAE-UHFFFAOYSA-N 0 0 248.374 3.968 20 30 BHEDRN CC(C)c1nccnc1N=NC1CCCC1(C)C ZINC000773085420 585631235 /nfs/dbraw/zinc/63/12/35/585631235.db2.gz IJIRBKDFQJRLFG-UHFFFAOYSA-N 0 0 246.358 3.578 20 30 BHEDRN CCCCCCN=Nc1nccnc1C(C)C ZINC000773086459 585631287 /nfs/dbraw/zinc/63/12/87/585631287.db2.gz 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BHEDRN CC[C@@H]1CCCC1N=Nc1nccnc1C(C)C ZINC000773090601 585631002 /nfs/dbraw/zinc/63/10/02/585631002.db2.gz JBGXVZZHLBQXAA-LLVKDONJSA-N 0 0 246.358 3.578 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1nccnc1C(C)C ZINC000773090603 585631282 /nfs/dbraw/zinc/63/12/82/585631282.db2.gz JBGXVZZHLBQXAA-NSHDSACASA-N 0 0 246.358 3.578 20 30 BHEDRN CC(C)c1nccnc1N=NC1CCCC[C@H]1C ZINC000773090662 585631109 /nfs/dbraw/zinc/63/11/09/585631109.db2.gz JQZOPPOQEWLQFL-LLVKDONJSA-N 0 0 246.358 3.578 20 30 BHEDRN CC(C)c1nccnc1N=NC1CCCC[C@@H]1C ZINC000773090663 585631168 /nfs/dbraw/zinc/63/11/68/585631168.db2.gz JQZOPPOQEWLQFL-NSHDSACASA-N 0 0 246.358 3.578 20 30 BHEDRN CC(C)c1nccnc1N=NC1CCC[C@@H](C)C1 ZINC000773091431 585631312 /nfs/dbraw/zinc/63/13/12/585631312.db2.gz OTMUPYFFFHXRLO-LLVKDONJSA-N 0 0 246.358 3.578 20 30 BHEDRN CC(C)c1nccnc1N=NC1CCC[C@H](C)C1 ZINC000773091434 585631102 /nfs/dbraw/zinc/63/11/02/585631102.db2.gz OTMUPYFFFHXRLO-NSHDSACASA-N 0 0 246.358 3.578 20 30 BHEDRN C=CCCC(CC)N=Nc1nccnc1C(C)C ZINC000773091449 585631110 /nfs/dbraw/zinc/63/11/10/585631110.db2.gz PCJPTBMRPIDWRS-UHFFFAOYSA-N 0 0 246.358 3.744 20 30 BHEDRN CCCCC(C)N=Nc1nccnc1C(C)C ZINC000773091460 585631274 /nfs/dbraw/zinc/63/12/74/585631274.db2.gz PVRPYOSVSCYHEI-UHFFFAOYSA-N 0 0 234.347 3.578 20 30 BHEDRN CC(C)c1nccnc1N=NC(C)C1CCCC1 ZINC000773092119 585021329 /nfs/dbraw/zinc/02/13/29/585021329.db2.gz ZAXLFJHZDJSPJS-UHFFFAOYSA-N 0 0 246.358 3.578 20 30 BHEDRN CC(C)c1nccnc1N=NC1CCCCCC1 ZINC000773092406 585631016 /nfs/dbraw/zinc/63/10/16/585631016.db2.gz GEUXMRJBMHMHEH-UHFFFAOYSA-N 0 0 246.358 3.722 20 30 BHEDRN CC(C)CCC(C)N=Nc1nccnc1C(C)C ZINC000773094954 585631280 /nfs/dbraw/zinc/63/12/80/585631280.db2.gz UHEPCSIBSOMCDG-UHFFFAOYSA-N 0 0 248.374 3.824 20 30 BHEDRN CCCCCCCN=Nc1nccnc1C(C)C ZINC000773095639 585631420 /nfs/dbraw/zinc/63/14/20/585631420.db2.gz ZOXLGOZSUFVZDA-UHFFFAOYSA-N 0 0 248.374 3.968 20 30 BHEDRN CC(C)C(=NN[C@@H]1CCCCC1(C)C)C1CC1 ZINC000773122665 585632102 /nfs/dbraw/zinc/63/21/02/585632102.db2.gz CIXBDARBTAVKCG-CYBMUJFWSA-N 0 0 236.403 3.967 20 30 BHEDRN CC(C)C(=NN[C@H]1CCCCC1(C)C)C1CC1 ZINC000773122666 585631931 /nfs/dbraw/zinc/63/19/31/585631931.db2.gz CIXBDARBTAVKCG-ZDUSSCGKSA-N 0 0 236.403 3.967 20 30 BHEDRN C[C@H]1CCCC1=NN[C@H]1CCCCC1(C)C ZINC000773122677 585632081 /nfs/dbraw/zinc/63/20/81/585632081.db2.gz COIVLUZFBWMHDM-AAEUAGOBSA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@@H]1CCCC1=NN[C@@H]1CCCCC1(C)C ZINC000773122679 585631904 /nfs/dbraw/zinc/63/19/04/585631904.db2.gz COIVLUZFBWMHDM-DGCLKSJQSA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@H]1CCCC1=NN[C@@H]1CCCCC1(C)C ZINC000773122681 585632183 /nfs/dbraw/zinc/63/21/83/585632183.db2.gz COIVLUZFBWMHDM-WCQYABFASA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@@H]1CCCC1=NN[C@H]1CCCCC1(C)C ZINC000773123078 585631964 /nfs/dbraw/zinc/63/19/64/585631964.db2.gz COIVLUZFBWMHDM-YPMHNXCESA-N 0 0 222.376 3.721 20 30 BHEDRN CC(=NN[C@@H]1CCCCC1(C)C)C1CCC1 ZINC000773123096 585631973 /nfs/dbraw/zinc/63/19/73/585631973.db2.gz DMEGRYHRXMXHCF-CYBMUJFWSA-N 0 0 222.376 3.721 20 30 BHEDRN CC(=NN[C@H]1CCCCC1(C)C)C1CCC1 ZINC000773123097 585632169 /nfs/dbraw/zinc/63/21/69/585632169.db2.gz DMEGRYHRXMXHCF-ZDUSSCGKSA-N 0 0 222.376 3.721 20 30 BHEDRN CC1(C)CCCC[C@@H]1NN=C/C=C/c1ccco1 ZINC000773123559 585631908 /nfs/dbraw/zinc/63/19/08/585631908.db2.gz ABDJHQYGTHHQBH-HWBJWYQPSA-N 0 0 246.354 3.837 20 30 BHEDRN CC1(C)CCCC[C@@H]1NN=C/C=C\c1ccco1 ZINC000773123562 585632027 /nfs/dbraw/zinc/63/20/27/585632027.db2.gz ABDJHQYGTHHQBH-TWJGBOFVSA-N 0 0 246.354 3.837 20 30 BHEDRN CC1(C)CCCC[C@H]1NN=C/C=C\c1ccco1 ZINC000773123565 585632026 /nfs/dbraw/zinc/63/20/26/585632026.db2.gz ABDJHQYGTHHQBH-VCVFGSIVSA-N 0 0 246.354 3.837 20 30 BHEDRN CC1(C)CCCC[C@H]1NN=C/C=C/c1ccco1 ZINC000773123567 585632168 /nfs/dbraw/zinc/63/21/68/585632168.db2.gz ABDJHQYGTHHQBH-WSSXJBAQSA-N 0 0 246.354 3.837 20 30 BHEDRN CC1(C)CCCC[C@H]1NN=Cc1cccs1 ZINC000773124433 585632016 /nfs/dbraw/zinc/63/20/16/585632016.db2.gz GENPJOGHBFPMAJ-GFCCVEGCSA-N 0 0 236.384 3.640 20 30 BHEDRN CC1(C)CCCC[C@@H]1NN=Cc1cccs1 ZINC000773124434 585631758 /nfs/dbraw/zinc/63/17/58/585631758.db2.gz GENPJOGHBFPMAJ-LBPRGKRZSA-N 0 0 236.384 3.640 20 30 BHEDRN CCC(CC)=NN[C@@H]1CCCCC1(C)C ZINC000773125075 585631977 /nfs/dbraw/zinc/63/19/77/585631977.db2.gz MNZDOADHDSVCIW-GFCCVEGCSA-N 0 0 210.365 3.721 20 30 BHEDRN CCC(CC)=NN[C@H]1CCCCC1(C)C ZINC000773125076 585632182 /nfs/dbraw/zinc/63/21/82/585632182.db2.gz MNZDOADHDSVCIW-LBPRGKRZSA-N 0 0 210.365 3.721 20 30 BHEDRN CC1(C)CCCC[C@H]1NN=C1CC2(CCC2)C1 ZINC000773125135 585632080 /nfs/dbraw/zinc/63/20/80/585632080.db2.gz NQVNQHLEPJJKIP-CYBMUJFWSA-N 0 0 234.387 3.865 20 30 BHEDRN CC1(C)CCCC[C@@H]1NN=C1CC2(CCC2)C1 ZINC000773125136 585631991 /nfs/dbraw/zinc/63/19/91/585631991.db2.gz NQVNQHLEPJJKIP-ZDUSSCGKSA-N 0 0 234.387 3.865 20 30 BHEDRN CC1(C)CCCC[C@H]1N=NC1CC(C(F)F)C1 ZINC000773125466 585631932 /nfs/dbraw/zinc/63/19/32/585631932.db2.gz NBDFEFKWBUXORL-HCCKASOXSA-N 0 0 244.329 3.576 20 30 BHEDRN CC1(C)CCCC[C@H]1NN=Cc1ccsc1 ZINC000773125475 585632086 /nfs/dbraw/zinc/63/20/86/585632086.db2.gz PAQAFMFBHGASJT-GFCCVEGCSA-N 0 0 236.384 3.640 20 30 BHEDRN CC1(C)CCCC[C@@H]1NN=Cc1ccsc1 ZINC000773125477 585632106 /nfs/dbraw/zinc/63/21/06/585632106.db2.gz PAQAFMFBHGASJT-LBPRGKRZSA-N 0 0 236.384 3.640 20 30 BHEDRN CC1(C)CCCC[C@@H]1N=NC1CC(C(F)F)C1 ZINC000773125510 585631955 /nfs/dbraw/zinc/63/19/55/585631955.db2.gz NBDFEFKWBUXORL-UMJHXOGRSA-N 0 0 244.329 3.576 20 30 BHEDRN Cc1cc(C=NN[C@H]2CCCCC2(C)C)c(C)[nH]1 ZINC000773125537 585632132 /nfs/dbraw/zinc/63/21/32/585632132.db2.gz PMICYHNUXQDDOD-AWEZNQCLSA-N 0 0 247.386 3.524 20 30 BHEDRN Cc1cc(C=NN[C@@H]2CCCCC2(C)C)c(C)[nH]1 ZINC000773125562 585632033 /nfs/dbraw/zinc/63/20/33/585632033.db2.gz PMICYHNUXQDDOD-CQSZACIVSA-N 0 0 247.386 3.524 20 30 BHEDRN CCC(N=N[C@@H]1CCCCC1(C)C)C1CC1 ZINC000773126061 585632018 /nfs/dbraw/zinc/63/20/18/585632018.db2.gz RJMBQUMJYQVNQF-CYBMUJFWSA-N 0 0 222.376 3.721 20 30 BHEDRN CCC(N=N[C@H]1CCCCC1(C)C)C1CC1 ZINC000773126064 585632036 /nfs/dbraw/zinc/63/20/36/585632036.db2.gz RJMBQUMJYQVNQF-ZDUSSCGKSA-N 0 0 222.376 3.721 20 30 BHEDRN Cc1cc(C=NN[C@H]2CCCCC2(C)C)c(C)o1 ZINC000773126088 585632023 /nfs/dbraw/zinc/63/20/23/585632023.db2.gz RQEQVLHNFNEPIP-AWEZNQCLSA-N 0 0 248.370 3.789 20 30 BHEDRN Cc1cc(C=NN[C@@H]2CCCCC2(C)C)c(C)o1 ZINC000773126093 585631956 /nfs/dbraw/zinc/63/19/56/585631956.db2.gz RQEQVLHNFNEPIP-CQSZACIVSA-N 0 0 248.370 3.789 20 30 BHEDRN CC1(C)CCCC[C@H]1NN=C1CCCCC1 ZINC000773126121 585631997 /nfs/dbraw/zinc/63/19/97/585631997.db2.gz RUJVZXIKUFVILT-CYBMUJFWSA-N 0 0 222.376 3.865 20 30 BHEDRN CC1(C)CCCC[C@@H]1NN=C1CCCCC1 ZINC000773126124 585632174 /nfs/dbraw/zinc/63/21/74/585632174.db2.gz RUJVZXIKUFVILT-ZDUSSCGKSA-N 0 0 222.376 3.865 20 30 BHEDRN Cc1cc(C)c(C=NN[C@H]2CCCCC2(C)C)[nH]1 ZINC000773126328 585631914 /nfs/dbraw/zinc/63/19/14/585631914.db2.gz SINJPRKUXZVJRB-AWEZNQCLSA-N 0 0 247.386 3.524 20 30 BHEDRN Cc1cc(C)c(C=NN[C@@H]2CCCCC2(C)C)[nH]1 ZINC000773126332 585632050 /nfs/dbraw/zinc/63/20/50/585632050.db2.gz SINJPRKUXZVJRB-CQSZACIVSA-N 0 0 247.386 3.524 20 30 BHEDRN CC(CC1CC1)=NN[C@@H]1CCCCC1(C)C ZINC000773126562 585632318 /nfs/dbraw/zinc/63/23/18/585632318.db2.gz UTMWATDMYIIUPJ-CYBMUJFWSA-N 0 0 222.376 3.721 20 30 BHEDRN CC(CC1CC1)=NN[C@H]1CCCCC1(C)C ZINC000773126563 585632367 /nfs/dbraw/zinc/63/23/67/585632367.db2.gz UTMWATDMYIIUPJ-ZDUSSCGKSA-N 0 0 222.376 3.721 20 30 BHEDRN CC1(C)CCCC[C@@H]1NN=Cc1ccccc1F ZINC000773126568 585632229 /nfs/dbraw/zinc/63/22/29/585632229.db2.gz UUZQZXZLAZSASS-AWEZNQCLSA-N 0 0 248.345 3.718 20 30 BHEDRN CC1(C)CCCC[C@H]1NN=Cc1ccccc1F ZINC000773126569 585632208 /nfs/dbraw/zinc/63/22/08/585632208.db2.gz UUZQZXZLAZSASS-CQSZACIVSA-N 0 0 248.345 3.718 20 30 BHEDRN CC1(C)CCCC[C@@H]1NN=Cc1ccccc1 ZINC000773126618 585632239 /nfs/dbraw/zinc/63/22/39/585632239.db2.gz VNOJBACQSVQDLV-AWEZNQCLSA-N 0 0 230.355 3.579 20 30 BHEDRN CC1(C)CCCC[C@H]1NN=Cc1ccccc1 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/nfs/dbraw/zinc/63/74/52/585637452.db2.gz DMKZMAYSIGHEKJ-OAHLLOKOSA-N 0 0 249.398 3.751 20 30 BHEDRN C=C(CC)COC(=O)c1ccc(SC)cc1 ZINC000773474466 585637800 /nfs/dbraw/zinc/63/78/00/585637800.db2.gz FNTQQZITZRVDQH-UHFFFAOYSA-N 0 0 236.336 3.532 20 30 BHEDRN C=C(CC)COC(=O)[C@H]1CCCc2ccccc21 ZINC000773481445 585637906 /nfs/dbraw/zinc/63/79/06/585637906.db2.gz QLLFPCFKTQWWSU-HNNXBMFYSA-N 0 0 244.334 3.616 20 30 BHEDRN C=C(CC)COC(=O)[C@@H]1CCCc2ccccc21 ZINC000773481446 585638059 /nfs/dbraw/zinc/63/80/59/585638059.db2.gz QLLFPCFKTQWWSU-OAHLLOKOSA-N 0 0 244.334 3.616 20 30 BHEDRN CCCCCCCCOC(=O)c1nccs1 ZINC000773488663 585637874 /nfs/dbraw/zinc/63/78/74/585637874.db2.gz MJNLOJXKKCVELG-UHFFFAOYSA-N 0 0 241.356 3.660 20 30 BHEDRN C=C(CC)COC(=O)CCCc1ccccc1 ZINC000773494517 585638224 /nfs/dbraw/zinc/63/82/24/585638224.db2.gz LIFWSOCFMIOXEU-UHFFFAOYSA-N 0 0 232.323 3.519 20 30 BHEDRN C=C(CC)COC(=O)C1(c2cccc(C)c2)CC1 ZINC000773498249 585638303 /nfs/dbraw/zinc/63/83/03/585638303.db2.gz GQPJVDKOPHDTTJ-UHFFFAOYSA-N 0 0 244.334 3.536 20 30 BHEDRN C=C(CC)COC(=O)c1ccc(C(F)F)cc1 ZINC000773501182 585638334 /nfs/dbraw/zinc/63/83/34/585638334.db2.gz NHPJVRBMGCPLLS-UHFFFAOYSA-N 0 0 240.249 3.747 20 30 BHEDRN C=C(CC)COC(=O)c1sccc1C1CC1 ZINC000773502378 585638595 /nfs/dbraw/zinc/63/85/95/585638595.db2.gz ZWZWVOSPCYXIIY-UHFFFAOYSA-N 0 0 236.336 3.749 20 30 BHEDRN C=C(CC)COC(=O)C1(c2ccccc2C)CC1 ZINC000773506365 585638495 /nfs/dbraw/zinc/63/84/95/585638495.db2.gz NWJOWUXMILARQI-UHFFFAOYSA-N 0 0 244.334 3.536 20 30 BHEDRN C=C(CC)COC(=O)C(C)(C)c1cccs1 ZINC000773513002 585638706 /nfs/dbraw/zinc/63/87/06/585638706.db2.gz BULGEKPHTXHFBQ-UHFFFAOYSA-N 0 0 238.352 3.535 20 30 BHEDRN C=C(CC)COC(=O)c1cc2occc2s1 ZINC000773514101 585022683 /nfs/dbraw/zinc/02/26/83/585022683.db2.gz JSFNSYLRGHPRAW-UHFFFAOYSA-N 0 0 236.292 3.617 20 30 BHEDRN C=C(CC)COC(=O)c1cccc(C(F)F)c1 ZINC000773515239 585639028 /nfs/dbraw/zinc/63/90/28/585639028.db2.gz BKYIMXZVFZKUSA-UHFFFAOYSA-N 0 0 240.249 3.747 20 30 BHEDRN C=C(CC)COC(=O)C[C@@H]1CCc2ccccc21 ZINC000773515815 585639006 /nfs/dbraw/zinc/63/90/06/585639006.db2.gz OHWNOIJKPLPDFD-AWEZNQCLSA-N 0 0 244.334 3.616 20 30 BHEDRN C=C(CC)COC(=O)C[C@H]1CCc2ccccc21 ZINC000773515816 585022603 /nfs/dbraw/zinc/02/26/03/585022603.db2.gz OHWNOIJKPLPDFD-CQSZACIVSA-N 0 0 244.334 3.616 20 30 BHEDRN C=C(CC)COC(=O)[C@H](C)c1cccc(C)c1 ZINC000773516441 585639005 /nfs/dbraw/zinc/63/90/05/585639005.db2.gz YMBAJZCWEFNWOP-CYBMUJFWSA-N 0 0 232.323 3.608 20 30 BHEDRN C=C(CC)COC(=O)[C@@H](C)c1cccc(C)c1 ZINC000773516446 585022835 /nfs/dbraw/zinc/02/28/35/585022835.db2.gz YMBAJZCWEFNWOP-ZDUSSCGKSA-N 0 0 232.323 3.608 20 30 BHEDRN C=C(CC)COC(=O)c1coc2ccccc12 ZINC000773517168 585639030 /nfs/dbraw/zinc/63/90/30/585639030.db2.gz VZDWATVQQAWJAQ-UHFFFAOYSA-N 0 0 230.263 3.556 20 30 BHEDRN C=C(CC)COC(=O)c1sccc1SC ZINC000773518039 585639058 /nfs/dbraw/zinc/63/90/58/585639058.db2.gz VFMPRWQUBPDSDP-UHFFFAOYSA-N 0 0 242.365 3.593 20 30 BHEDRN C=C(CC)COC(=O)c1cccc(F)c1Cl ZINC000773520385 585639141 /nfs/dbraw/zinc/63/91/41/585639141.db2.gz RVORSMGVRPYKOL-UHFFFAOYSA-N 0 0 242.677 3.602 20 30 BHEDRN C=C(CC)COC(=O)C1(Cc2ccccc2)CC1 ZINC000773523457 585639495 /nfs/dbraw/zinc/63/94/95/585639495.db2.gz NMKCKJWNMDPVTH-UHFFFAOYSA-N 0 0 244.334 3.519 20 30 BHEDRN C=C(CC)COC(=O)C/C=C\c1cccc(F)c1 ZINC000773532146 585639642 /nfs/dbraw/zinc/63/96/42/585639642.db2.gz NVVHBWWWHMRCPY-ALCCZGGFSA-N 0 0 248.297 3.738 20 30 BHEDRN C=C(CC)COC(=O)C/C=C/c1cccc(F)c1 ZINC000773532150 585639759 /nfs/dbraw/zinc/63/97/59/585639759.db2.gz NVVHBWWWHMRCPY-FNORWQNLSA-N 0 0 248.297 3.738 20 30 BHEDRN C=C(CC)COC(=O)C/C=C\c1ccc(F)cc1 ZINC000773534144 585639728 /nfs/dbraw/zinc/63/97/28/585639728.db2.gz WEUVMSICPJHOKD-PLNGDYQASA-N 0 0 248.297 3.738 20 30 BHEDRN C=C(CC)COC(=O)C/C=C/c1ccc(F)cc1 ZINC000773534149 585639665 /nfs/dbraw/zinc/63/96/65/585639665.db2.gz WEUVMSICPJHOKD-SNAWJCMRSA-N 0 0 248.297 3.738 20 30 BHEDRN C=C(CC)COC(=O)c1cccc(Cl)c1F ZINC000773535679 585639639 /nfs/dbraw/zinc/63/96/39/585639639.db2.gz NWQAENZQIFSTQK-UHFFFAOYSA-N 0 0 242.677 3.602 20 30 BHEDRN C=C(CC)COC(=O)CCCSC(C)(C)C ZINC000773542227 585640145 /nfs/dbraw/zinc/64/01/45/585640145.db2.gz UDEALCAVPMSKEH-UHFFFAOYSA-N 0 0 244.400 3.808 20 30 BHEDRN C=C[C@@H](CC(=O)OCC(=C)CC)c1ccccc1 ZINC000773544106 585640177 /nfs/dbraw/zinc/64/01/77/585640177.db2.gz FPFHKOVNZYVHIR-AWEZNQCLSA-N 0 0 244.334 3.856 20 30 BHEDRN C=C[C@H](CC(=O)OCC(=C)CC)c1ccccc1 ZINC000773544112 585640090 /nfs/dbraw/zinc/64/00/90/585640090.db2.gz FPFHKOVNZYVHIR-CQSZACIVSA-N 0 0 244.334 3.856 20 30 BHEDRN C=C(CC)COC(=O)[C@@H](c1ccccc1)C1CC1 ZINC000773545130 585640160 /nfs/dbraw/zinc/64/01/60/585640160.db2.gz IIXOCPNGZWVUGG-HNNXBMFYSA-N 0 0 244.334 3.690 20 30 BHEDRN C=C(CC)COC(=O)[C@H](c1ccccc1)C1CC1 ZINC000773545131 585640170 /nfs/dbraw/zinc/64/01/70/585640170.db2.gz IIXOCPNGZWVUGG-OAHLLOKOSA-N 0 0 244.334 3.690 20 30 BHEDRN C#CCCCCC(=O)OCc1c(C)cccc1C ZINC000773622619 585641647 /nfs/dbraw/zinc/64/16/47/585641647.db2.gz BDOPHUAGPATSTB-UHFFFAOYSA-N 0 0 244.334 3.540 20 30 BHEDRN C#CCCCCC(=O)OC[C@H](C)c1ccccc1 ZINC000773626757 585641736 /nfs/dbraw/zinc/64/17/36/585641736.db2.gz YJNPSQOQZBKCQB-AWEZNQCLSA-N 0 0 244.334 3.527 20 30 BHEDRN C#CCCCCC(=O)OC[C@@H](C)c1ccccc1 ZINC000773626762 585641743 /nfs/dbraw/zinc/64/17/43/585641743.db2.gz YJNPSQOQZBKCQB-CQSZACIVSA-N 0 0 244.334 3.527 20 30 BHEDRN C#CCCCCC(=O)O[C@@H](CC)c1ccccc1 ZINC000773630166 585641675 /nfs/dbraw/zinc/64/16/75/585641675.db2.gz QAGARVIQLNILOE-HNNXBMFYSA-N 0 0 244.334 3.875 20 30 BHEDRN C#CCCCCC(=O)O[C@H](CC)c1ccccc1 ZINC000773630167 585641800 /nfs/dbraw/zinc/64/18/00/585641800.db2.gz QAGARVIQLNILOE-OAHLLOKOSA-N 0 0 244.334 3.875 20 30 BHEDRN C#CCCCCC(=O)OCc1cc(C)cc(C)c1 ZINC000773630912 585641775 /nfs/dbraw/zinc/64/17/75/585641775.db2.gz URAOCLXBRAMUFU-UHFFFAOYSA-N 0 0 244.334 3.540 20 30 BHEDRN C#CCCCCC(=O)O[C@H](C)c1ccc(F)cc1 ZINC000773633308 585641811 /nfs/dbraw/zinc/64/18/11/585641811.db2.gz UNFXCIHTMLHRHK-GFCCVEGCSA-N 0 0 248.297 3.624 20 30 BHEDRN C#CCCCCC(=O)O[C@@H](C)c1ccc(F)cc1 ZINC000773633309 585641846 /nfs/dbraw/zinc/64/18/46/585641846.db2.gz UNFXCIHTMLHRHK-LBPRGKRZSA-N 0 0 248.297 3.624 20 30 BHEDRN C#CCCCCC(=O)OCCC(C)(C)CC ZINC000773641854 585641863 /nfs/dbraw/zinc/64/18/63/585641863.db2.gz UMVDUBHCYZPWMZ-UHFFFAOYSA-N 0 0 224.344 3.550 20 30 BHEDRN C#CCCCCC(=O)OCc1cc(C)ccc1C ZINC000773649850 585641935 /nfs/dbraw/zinc/64/19/35/585641935.db2.gz YBKKUUFJVSMXGA-UHFFFAOYSA-N 0 0 244.334 3.540 20 30 BHEDRN CCCCCC(CCCCC)NC(=O)CC#N ZINC000773666295 585642168 /nfs/dbraw/zinc/64/21/68/585642168.db2.gz LHRSFVSJCYZMAZ-UHFFFAOYSA-N 0 0 238.375 3.545 20 30 BHEDRN C#CCCCCC(=O)Oc1cc(C)cc(C)c1C ZINC000773762541 585643352 /nfs/dbraw/zinc/64/33/52/585643352.db2.gz ZJKDJRULCUBRGZ-UHFFFAOYSA-N 0 0 244.334 3.711 20 30 BHEDRN C#CCCCCC(=O)Oc1ccc(C(C)C)cc1 ZINC000773763456 585643334 /nfs/dbraw/zinc/64/33/34/585643334.db2.gz MNALUJNLYQCRBL-UHFFFAOYSA-N 0 0 244.334 3.909 20 30 BHEDRN C#CCCCCC(=O)O[C@@H](C)c1ccccc1C ZINC000773771829 585643571 /nfs/dbraw/zinc/64/35/71/585643571.db2.gz KWZPCSTYULNLJK-AWEZNQCLSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCCCCC(=O)Oc1ccc(CCC)cc1 ZINC000773783359 585643793 /nfs/dbraw/zinc/64/37/93/585643793.db2.gz JXPUTEDCXYQWTD-UHFFFAOYSA-N 0 0 244.334 3.738 20 30 BHEDRN C#CCCCCC(=O)O[C@@H](C)c1cccc(C)c1 ZINC000773784776 585643971 /nfs/dbraw/zinc/64/39/71/585643971.db2.gz IFRVFXLOQUZQLA-AWEZNQCLSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCCCCC(=O)O[C@H](C)c1cccc(C)c1 ZINC000773784779 585644090 /nfs/dbraw/zinc/64/40/90/585644090.db2.gz IFRVFXLOQUZQLA-CQSZACIVSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCCCCC(=O)O[C@H](C)c1ccccc1C ZINC000773802064 585644375 /nfs/dbraw/zinc/64/43/75/585644375.db2.gz KWZPCSTYULNLJK-CQSZACIVSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCCCCC(=O)O[C@@H](C)c1ccc(C)cc1 ZINC000773805383 585644281 /nfs/dbraw/zinc/64/42/81/585644281.db2.gz YJCVWHWNNKIMPG-AWEZNQCLSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCCCCC(=O)O[C@H](C)C1CCCCC1 ZINC000773856176 585645002 /nfs/dbraw/zinc/64/50/02/585645002.db2.gz MPBNFKGEEQVCKI-CYBMUJFWSA-N 0 0 236.355 3.692 20 30 BHEDRN C#CCCCCC(=O)O[C@@H](C)C1CCCCC1 ZINC000773856181 585644960 /nfs/dbraw/zinc/64/49/60/585644960.db2.gz MPBNFKGEEQVCKI-ZDUSSCGKSA-N 0 0 236.355 3.692 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)c1cc(Cl)c[nH]1 ZINC000773870438 585645171 /nfs/dbraw/zinc/64/51/71/585645171.db2.gz BGDNIOVIDSEJKF-SECBINFHSA-N 0 0 241.718 3.570 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)c1cc(Cl)c[nH]1 ZINC000773870441 585645241 /nfs/dbraw/zinc/64/52/41/585645241.db2.gz BGDNIOVIDSEJKF-VIFPVBQESA-N 0 0 241.718 3.570 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)[C@@H](C)C(C)C ZINC000773871034 585645343 /nfs/dbraw/zinc/64/53/43/585645343.db2.gz HPJASRRYUSQEQA-NEPJUHHUSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)[C@H](C)C(C)C ZINC000773871035 585645499 /nfs/dbraw/zinc/64/54/99/585645499.db2.gz HPJASRRYUSQEQA-NWDGAFQWSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)[C@@H](C)C(C)C ZINC000773871036 585645421 /nfs/dbraw/zinc/64/54/21/585645421.db2.gz HPJASRRYUSQEQA-RYUDHWBXSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)[C@H](C)C(C)C ZINC000773871037 585645503 /nfs/dbraw/zinc/64/55/03/585645503.db2.gz HPJASRRYUSQEQA-VXGBXAGGSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)CSC(C)(C)C ZINC000773871528 585645357 /nfs/dbraw/zinc/64/53/57/585645357.db2.gz JYHXGQBJOHHPTL-LLVKDONJSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)CSC(C)(C)C ZINC000773871529 585645363 /nfs/dbraw/zinc/64/53/63/585645363.db2.gz JYHXGQBJOHHPTL-NSHDSACASA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)/C=C/c1ccco1 ZINC000773872162 644144239 /nfs/dbraw/zinc/14/42/39/644144239.db2.gz OAFMDSBQQDAHJZ-BZYZDCJZSA-N 0 0 234.295 3.581 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)/C=C\c1ccco1 ZINC000773872172 644143581 /nfs/dbraw/zinc/14/35/81/644143581.db2.gz OAFMDSBQQDAHJZ-PRDAAYKISA-N 0 0 234.295 3.581 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)/C=C/c1ccco1 ZINC000773872174 644144651 /nfs/dbraw/zinc/14/46/51/644144651.db2.gz OAFMDSBQQDAHJZ-VMPCVLLUSA-N 0 0 234.295 3.581 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)/C=C\c1ccco1 ZINC000773872184 644144759 /nfs/dbraw/zinc/14/47/59/644144759.db2.gz OAFMDSBQQDAHJZ-ZWLSGLHFSA-N 0 0 234.295 3.581 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)[C@H]1Cc2ccccc21 ZINC000773872198 585025385 /nfs/dbraw/zinc/02/53/85/585025385.db2.gz OAHRGSVDDLWPJA-DOMZBBRYSA-N 0 0 244.334 3.614 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)[C@@H]1Cc2ccccc21 ZINC000773872209 585025396 /nfs/dbraw/zinc/02/53/96/585025396.db2.gz OAHRGSVDDLWPJA-IUODEOHRSA-N 0 0 244.334 3.614 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)[C@@H]1Cc2ccccc21 ZINC000773872219 644144738 /nfs/dbraw/zinc/14/47/38/644144738.db2.gz OAHRGSVDDLWPJA-SWLSCSKDSA-N 0 0 244.334 3.614 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)[C@H]1Cc2ccccc21 ZINC000773872221 644146982 /nfs/dbraw/zinc/14/69/82/644146982.db2.gz OAHRGSVDDLWPJA-WFASDCNBSA-N 0 0 244.334 3.614 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)C[C@@H]1C=CCC1 ZINC000773872262 585645507 /nfs/dbraw/zinc/64/55/07/585645507.db2.gz OQZJZTQDJHTADA-CHWSQXEVSA-N 0 0 222.328 3.631 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)C[C@H]1C=CCC1 ZINC000773872412 585645537 /nfs/dbraw/zinc/64/55/37/585645537.db2.gz OQZJZTQDJHTADA-OLZOCXBDSA-N 0 0 222.328 3.631 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)C[C@@H]1C=CCC1 ZINC000773872414 585645427 /nfs/dbraw/zinc/64/54/27/585645427.db2.gz OQZJZTQDJHTADA-QWHCGFSZSA-N 0 0 222.328 3.631 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)C[C@H]1C=CCC1 ZINC000773872416 585645420 /nfs/dbraw/zinc/64/54/20/585645420.db2.gz OQZJZTQDJHTADA-STQMWFEESA-N 0 0 222.328 3.631 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)C1(C#N)CCCCC1 ZINC000773872489 585645458 /nfs/dbraw/zinc/64/54/58/585645458.db2.gz PWFGMZYSXQLYBI-CYBMUJFWSA-N 0 0 249.354 3.748 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)C1(C#N)CCCCC1 ZINC000773872493 585645348 /nfs/dbraw/zinc/64/53/48/585645348.db2.gz PWFGMZYSXQLYBI-ZDUSSCGKSA-N 0 0 249.354 3.748 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)C(C1CC1)C1CC1 ZINC000773872511 585645403 /nfs/dbraw/zinc/64/54/03/585645403.db2.gz PZXSGTXHYLZSFW-LLVKDONJSA-N 0 0 236.355 3.711 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)C(C1CC1)C1CC1 ZINC000773872513 585645462 /nfs/dbraw/zinc/64/54/62/585645462.db2.gz PZXSGTXHYLZSFW-NSHDSACASA-N 0 0 236.355 3.711 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)CCc1ccoc1 ZINC000773872990 585645374 /nfs/dbraw/zinc/64/53/74/585645374.db2.gz WNXSAYRPEZUILB-GFCCVEGCSA-N 0 0 236.311 3.500 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)CCc1ccoc1 ZINC000773872991 585645360 /nfs/dbraw/zinc/64/53/60/585645360.db2.gz WNXSAYRPEZUILB-LBPRGKRZSA-N 0 0 236.311 3.500 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)[C@@H](C)c1ccco1 ZINC000773873435 585645424 /nfs/dbraw/zinc/64/54/24/585645424.db2.gz YZVZSBYPQRNMCE-NEPJUHHUSA-N 0 0 236.311 3.671 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)[C@H](C)c1ccco1 ZINC000773873436 585645495 /nfs/dbraw/zinc/64/54/95/585645495.db2.gz YZVZSBYPQRNMCE-NWDGAFQWSA-N 0 0 236.311 3.671 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)[C@@H](C)c1ccco1 ZINC000773873438 585645097 /nfs/dbraw/zinc/64/50/97/585645097.db2.gz YZVZSBYPQRNMCE-RYUDHWBXSA-N 0 0 236.311 3.671 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)[C@H](C)c1ccco1 ZINC000773873440 585645081 /nfs/dbraw/zinc/64/50/81/585645081.db2.gz YZVZSBYPQRNMCE-VXGBXAGGSA-N 0 0 236.311 3.671 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)c1ncccc1CC ZINC000773873868 585645436 /nfs/dbraw/zinc/64/54/36/585645436.db2.gz BBHFZGSDJACWPA-GFCCVEGCSA-N 0 0 247.338 3.546 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)c1ncccc1CC ZINC000773873869 585645435 /nfs/dbraw/zinc/64/54/35/585645435.db2.gz BBHFZGSDJACWPA-LBPRGKRZSA-N 0 0 247.338 3.546 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)C[C@H](C)n1cccc1 ZINC000773873887 585645478 /nfs/dbraw/zinc/64/54/78/585645478.db2.gz BNKZHDKIKRANML-KBPBESRZSA-N 0 0 249.354 3.727 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)C[C@@H](C)n1cccc1 ZINC000773873889 585645527 /nfs/dbraw/zinc/64/55/27/585645527.db2.gz BNKZHDKIKRANML-KGLIPLIRSA-N 0 0 249.354 3.727 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)C[C@H](C)n1cccc1 ZINC000773873891 585645517 /nfs/dbraw/zinc/64/55/17/585645517.db2.gz BNKZHDKIKRANML-UONOGXRCSA-N 0 0 249.354 3.727 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)C[C@@H](C)n1cccc1 ZINC000773873893 585645419 /nfs/dbraw/zinc/64/54/19/585645419.db2.gz BNKZHDKIKRANML-ZIAGYGMSSA-N 0 0 249.354 3.727 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)CC[C@H](C)SC ZINC000773874605 585025518 /nfs/dbraw/zinc/02/55/18/585025518.db2.gz FYDPJMJVDHBROX-NEPJUHHUSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)CC[C@@H](C)SC ZINC000773874608 585025524 /nfs/dbraw/zinc/02/55/24/585025524.db2.gz FYDPJMJVDHBROX-NWDGAFQWSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)CC[C@H](C)SC ZINC000773874613 585025480 /nfs/dbraw/zinc/02/54/80/585025480.db2.gz FYDPJMJVDHBROX-RYUDHWBXSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)CC[C@@H](C)SC ZINC000773874618 585025478 /nfs/dbraw/zinc/02/54/78/585025478.db2.gz FYDPJMJVDHBROX-VXGBXAGGSA-N 0 0 244.400 3.806 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)CCC(C)(F)F ZINC000773874860 585645540 /nfs/dbraw/zinc/64/55/40/585645540.db2.gz GTSRXZYSVYSYQE-JTQLQIEISA-N 0 0 234.286 3.710 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)CCC(C)(F)F ZINC000773874861 585645352 /nfs/dbraw/zinc/64/53/52/585645352.db2.gz GTSRXZYSVYSYQE-SNVBAGLBSA-N 0 0 234.286 3.710 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)c1cccs1 ZINC000773875249 585645469 /nfs/dbraw/zinc/64/54/69/585645469.db2.gz KZBUZMLHNADRJM-JTQLQIEISA-N 0 0 224.325 3.650 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)c1cccs1 ZINC000773875254 585645389 /nfs/dbraw/zinc/64/53/89/585645389.db2.gz KZBUZMLHNADRJM-SNVBAGLBSA-N 0 0 224.325 3.650 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)[C@@H]1CC=CCC1 ZINC000773876117 585645473 /nfs/dbraw/zinc/64/54/73/585645473.db2.gz MVCMYJJUZMMUEY-CHWSQXEVSA-N 0 0 222.328 3.631 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)[C@H]1CC=CCC1 ZINC000773876120 585645417 /nfs/dbraw/zinc/64/54/17/585645417.db2.gz MVCMYJJUZMMUEY-OLZOCXBDSA-N 0 0 222.328 3.631 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)[C@@H]1CC=CCC1 ZINC000773876121 585645375 /nfs/dbraw/zinc/64/53/75/585645375.db2.gz MVCMYJJUZMMUEY-QWHCGFSZSA-N 0 0 222.328 3.631 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)[C@H]1CC=CCC1 ZINC000773876122 585645491 /nfs/dbraw/zinc/64/54/91/585645491.db2.gz MVCMYJJUZMMUEY-STQMWFEESA-N 0 0 222.328 3.631 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)CCC(F)(F)F ZINC000773876296 585645393 /nfs/dbraw/zinc/64/53/93/585645393.db2.gz GEQQOUILUUTWPY-SECBINFHSA-N 0 0 238.249 3.617 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)CCC(F)(F)F ZINC000773876298 585645455 /nfs/dbraw/zinc/64/54/55/585645455.db2.gz GEQQOUILUUTWPY-VIFPVBQESA-N 0 0 238.249 3.617 20 30 BHEDRN C=CCCCC(=O)O[C@H](C)CCCC=C ZINC000773876546 585645641 /nfs/dbraw/zinc/64/56/41/585645641.db2.gz RRWOZSZJTVUZIX-GFCCVEGCSA-N 0 0 210.317 3.631 20 30 BHEDRN C=CCCCC(=O)O[C@@H](C)CCCC=C ZINC000773876548 585645621 /nfs/dbraw/zinc/64/56/21/585645621.db2.gz RRWOZSZJTVUZIX-LBPRGKRZSA-N 0 0 210.317 3.631 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)c1ccsc1 ZINC000773876554 585645586 /nfs/dbraw/zinc/64/55/86/585645586.db2.gz RTWLNMYYMPFUSE-JTQLQIEISA-N 0 0 224.325 3.650 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)c1ccsc1 ZINC000773876556 585645624 /nfs/dbraw/zinc/64/56/24/585645624.db2.gz RTWLNMYYMPFUSE-SNVBAGLBSA-N 0 0 224.325 3.650 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)c1ccc(C)nc1C ZINC000773877447 585645566 /nfs/dbraw/zinc/64/55/66/585645566.db2.gz VPPLRNPBNRPUHQ-GFCCVEGCSA-N 0 0 247.338 3.600 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)c1ccc(C)nc1C ZINC000773877454 585645630 /nfs/dbraw/zinc/64/56/30/585645630.db2.gz VPPLRNPBNRPUHQ-LBPRGKRZSA-N 0 0 247.338 3.600 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)c1ccc(Cl)o1 ZINC000773878666 585645643 /nfs/dbraw/zinc/64/56/43/585645643.db2.gz MQXIXFQCYNNRSZ-SECBINFHSA-N 0 0 242.702 3.835 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)c1ccc(Cl)o1 ZINC000773878668 585645637 /nfs/dbraw/zinc/64/56/37/585645637.db2.gz MQXIXFQCYNNRSZ-VIFPVBQESA-N 0 0 242.702 3.835 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)C(C)(C)CC ZINC000773878818 585645661 /nfs/dbraw/zinc/64/56/61/585645661.db2.gz RRKQDVSIXGBDNN-LLVKDONJSA-N 0 0 212.333 3.711 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)C(C)(C)CC ZINC000773878820 585645619 /nfs/dbraw/zinc/64/56/19/585645619.db2.gz RRKQDVSIXGBDNN-NSHDSACASA-N 0 0 212.333 3.711 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)c1ccc(C#N)s1 ZINC000773879489 585645638 /nfs/dbraw/zinc/64/56/38/585645638.db2.gz VFSAJAUAKGCZBF-JTQLQIEISA-N 0 0 249.335 3.521 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)c1ccc(C#N)s1 ZINC000773879490 585645711 /nfs/dbraw/zinc/64/57/11/585645711.db2.gz VFSAJAUAKGCZBF-SNVBAGLBSA-N 0 0 249.335 3.521 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)c1ccccc1F ZINC000773880345 585645683 /nfs/dbraw/zinc/64/56/83/585645683.db2.gz RHAYFBPLXZZZJE-LLVKDONJSA-N 0 0 236.286 3.727 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)c1ccccc1F ZINC000773880347 585645707 /nfs/dbraw/zinc/64/57/07/585645707.db2.gz RHAYFBPLXZZZJE-NSHDSACASA-N 0 0 236.286 3.727 20 30 BHEDRN Oc1ccccc1C=Nc1cccc2cc[nH]c21 ZINC000773905386 585646148 /nfs/dbraw/zinc/64/61/48/585646148.db2.gz HQGGDJIXTSQZSY-UHFFFAOYSA-N 0 0 236.274 3.624 20 30 BHEDRN C=CCc1ccccc1OC(=O)C1(F)CCCC1 ZINC000773959959 585647180 /nfs/dbraw/zinc/64/71/80/585647180.db2.gz BBSHYPZCIABGKY-UHFFFAOYSA-N 0 0 248.297 3.603 20 30 BHEDRN C[C@H](CC(C)(C)C)C(=O)Oc1ccc(C#N)cc1 ZINC000773963377 585647315 /nfs/dbraw/zinc/64/73/15/585647315.db2.gz GVHSFYSXONSJBB-LLVKDONJSA-N 0 0 245.322 3.536 20 30 BHEDRN C[C@@H](CC(C)(C)C)C(=O)Oc1ccc(C#N)cc1 ZINC000773963378 585647461 /nfs/dbraw/zinc/64/74/61/585647461.db2.gz GVHSFYSXONSJBB-NSHDSACASA-N 0 0 245.322 3.536 20 30 BHEDRN C=C(C)CCOC(=O)[C@H](C)CC(C)(C)C ZINC000774115204 585650893 /nfs/dbraw/zinc/65/08/93/585650893.db2.gz PQHRFIVTBNLLSD-LLVKDONJSA-N 0 0 212.333 3.568 20 30 BHEDRN C=C(C)CCOC(=O)[C@@H](C)CC(C)(C)C ZINC000774115206 585650843 /nfs/dbraw/zinc/65/08/43/585650843.db2.gz PQHRFIVTBNLLSD-NSHDSACASA-N 0 0 212.333 3.568 20 30 BHEDRN C[C@H](CC(C)(C)C)C(=O)O[C@H](C)C(C)(C)C#N ZINC000774229481 585654463 /nfs/dbraw/zinc/65/44/63/585654463.db2.gz ATMOYTRPDPBSNQ-GHMZBOCLSA-N 0 0 239.359 3.540 20 30 BHEDRN C[C@H](CC(C)(C)C)C(=O)O[C@@H](C)C(C)(C)C#N ZINC000774229493 585654420 /nfs/dbraw/zinc/65/44/20/585654420.db2.gz ATMOYTRPDPBSNQ-MNOVXSKESA-N 0 0 239.359 3.540 20 30 BHEDRN C[C@@H](CC(C)(C)C)C(=O)O[C@@H](C)C(C)(C)C#N ZINC000774229495 585654548 /nfs/dbraw/zinc/65/45/48/585654548.db2.gz ATMOYTRPDPBSNQ-QWRGUYRKSA-N 0 0 239.359 3.540 20 30 BHEDRN C[C@@H](OC(=O)[C@@H](C)CC(C)(C)C)C(C)(C)C#N ZINC000774229497 585654606 /nfs/dbraw/zinc/65/46/06/585654606.db2.gz ATMOYTRPDPBSNQ-WDEREUQCSA-N 0 0 239.359 3.540 20 30 BHEDRN C=CCC[C@@H](OC(=O)C1(F)CCCC1)C1CC1 ZINC000774230785 585654451 /nfs/dbraw/zinc/65/44/51/585654451.db2.gz SJYSMLVVRCWYNF-GFCCVEGCSA-N 0 0 240.318 3.557 20 30 BHEDRN C=CCC[C@H](OC(=O)C1(F)CCCC1)C1CC1 ZINC000774230786 585654459 /nfs/dbraw/zinc/65/44/59/585654459.db2.gz SJYSMLVVRCWYNF-LBPRGKRZSA-N 0 0 240.318 3.557 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)c1ccoc1Cl ZINC000774261169 585655267 /nfs/dbraw/zinc/65/52/67/585655267.db2.gz XMNOWOBXBOXUPC-GFCCVEGCSA-N 0 0 242.702 3.692 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)c1ccoc1Cl ZINC000774261170 585655129 /nfs/dbraw/zinc/65/51/29/585655129.db2.gz XMNOWOBXBOXUPC-LBPRGKRZSA-N 0 0 242.702 3.692 20 30 BHEDRN C=C[C@H](CC)OC(=O)[C@H](C)CC(C)(C)C ZINC000774290071 585655903 /nfs/dbraw/zinc/65/59/03/585655903.db2.gz AOCJPSQDRSDAKS-GHMZBOCLSA-N 0 0 212.333 3.567 20 30 BHEDRN C=C[C@@H](CC)OC(=O)[C@H](C)CC(C)(C)C ZINC000774290072 585655877 /nfs/dbraw/zinc/65/58/77/585655877.db2.gz AOCJPSQDRSDAKS-MNOVXSKESA-N 0 0 212.333 3.567 20 30 BHEDRN C=C[C@@H](CC)OC(=O)[C@@H](C)CC(C)(C)C ZINC000774290075 585655889 /nfs/dbraw/zinc/65/58/89/585655889.db2.gz AOCJPSQDRSDAKS-QWRGUYRKSA-N 0 0 212.333 3.567 20 30 BHEDRN C=C[C@H](CC)OC(=O)[C@@H](C)CC(C)(C)C ZINC000774290077 585655780 /nfs/dbraw/zinc/65/57/80/585655780.db2.gz AOCJPSQDRSDAKS-WDEREUQCSA-N 0 0 212.333 3.567 20 30 BHEDRN CC(=NNc1ccccc1)c1ccc(Cl)cn1 ZINC000774310656 712415498 /nfs/dbraw/zinc/41/54/98/712415498.db2.gz KGCSQWDODHJJOW-UHFFFAOYSA-N 0 0 245.713 3.571 20 30 BHEDRN N#Cc1ccc(CCCN=Nc2ccccc2)cc1 ZINC000774314137 712415344 /nfs/dbraw/zinc/41/53/44/712415344.db2.gz ZFKBXUXKBKQYAK-UHFFFAOYSA-N 0 0 249.317 3.589 20 30 BHEDRN CC(CCCC(F)(F)F)N=Nc1ccccn1 ZINC000774334386 585656499 /nfs/dbraw/zinc/65/64/99/585656499.db2.gz ICMXBOXTNQZSMA-UHFFFAOYSA-N 0 0 245.248 3.602 20 30 BHEDRN CCON=C(C)C1(c2ccccc2)CCCC1 ZINC000774359454 585656979 /nfs/dbraw/zinc/65/69/79/585656979.db2.gz CJHIOSIBOCMVLN-UHFFFAOYSA-N 0 0 231.339 3.911 20 30 BHEDRN CON=C(C)C1(c2ccccc2)CCCC1 ZINC000774364128 585656737 /nfs/dbraw/zinc/65/67/37/585656737.db2.gz QQKROJIHHWTFDI-UHFFFAOYSA-N 0 0 217.312 3.521 20 30 BHEDRN CCCc1cccc(C=NNC2CCCC2)c1 ZINC000774384248 585657273 /nfs/dbraw/zinc/65/72/73/585657273.db2.gz ADNNQGYUYQAAGS-UHFFFAOYSA-N 0 0 230.355 3.505 20 30 BHEDRN CC(CCCC(F)(F)F)=NNC1CCCC1 ZINC000774386129 585657337 /nfs/dbraw/zinc/65/73/37/585657337.db2.gz UKYGTCMQSFRYFE-UHFFFAOYSA-N 0 0 236.281 3.627 20 30 BHEDRN C=C(C)[C@@H](C)OC(=O)[C@H](C)CC(C)(C)C ZINC000774390263 585657137 /nfs/dbraw/zinc/65/71/37/585657137.db2.gz KRSDILQUBKKARN-GHMZBOCLSA-N 0 0 212.333 3.567 20 30 BHEDRN C=C(C)[C@H](C)OC(=O)[C@H](C)CC(C)(C)C ZINC000774390265 585657237 /nfs/dbraw/zinc/65/72/37/585657237.db2.gz KRSDILQUBKKARN-MNOVXSKESA-N 0 0 212.333 3.567 20 30 BHEDRN C=C(C)[C@H](C)OC(=O)[C@@H](C)CC(C)(C)C ZINC000774390267 585657160 /nfs/dbraw/zinc/65/71/60/585657160.db2.gz KRSDILQUBKKARN-QWRGUYRKSA-N 0 0 212.333 3.567 20 30 BHEDRN C=C(C)[C@@H](C)OC(=O)[C@@H](C)CC(C)(C)C ZINC000774390268 585657129 /nfs/dbraw/zinc/65/71/29/585657129.db2.gz KRSDILQUBKKARN-WDEREUQCSA-N 0 0 212.333 3.567 20 30 BHEDRN CC(C)CON=CCSCc1ccccc1 ZINC000774392174 585657248 /nfs/dbraw/zinc/65/72/48/585657248.db2.gz CJTGRQNWVQKCRI-UHFFFAOYSA-N 0 0 237.368 3.578 20 30 BHEDRN CC(CCCC(F)(F)F)=NOCC(C)C ZINC000774392185 585657215 /nfs/dbraw/zinc/65/72/15/585657215.db2.gz CSQPWZQYBGYIDE-UHFFFAOYSA-N 0 0 225.254 3.768 20 30 BHEDRN CCCc1cccc(C=NO[C@H]2CCCCO2)c1 ZINC000774392240 585657308 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/nfs/dbraw/zinc/68/18/88/585681888.db2.gz LEQSYKAABUPASX-CQSZACIVSA-N 0 0 237.387 3.794 20 30 BHEDRN C#CCCNc1ccc2ccc(Cl)c(C)c2n1 ZINC000775676841 585682794 /nfs/dbraw/zinc/68/27/94/585682794.db2.gz MKNLJWBXRVRTPA-UHFFFAOYSA-N 0 0 244.725 3.632 20 30 BHEDRN C=CCCCn1nc(Cl)c2ccccc21 ZINC000775681493 585683042 /nfs/dbraw/zinc/68/30/42/585683042.db2.gz BJQJRLVLZWPUSA-UHFFFAOYSA-N 0 0 220.703 3.656 20 30 BHEDRN C=C(CC)Cn1nc(Cl)c2ccccc21 ZINC000775682183 585683214 /nfs/dbraw/zinc/68/32/14/585683214.db2.gz GUUJZXIORVEAIB-UHFFFAOYSA-N 0 0 220.703 3.656 20 30 BHEDRN Fc1ccc2c(c1)[C@@H](ON=C1CCC1)CCC2 ZINC000775682570 585682963 /nfs/dbraw/zinc/68/29/63/585682963.db2.gz ZCADJRXBUJTHTO-AWEZNQCLSA-N 0 0 233.286 3.760 20 30 BHEDRN Fc1ccc2c(c1)[C@H](ON=C1CCC1)CCC2 ZINC000775682571 585683110 /nfs/dbraw/zinc/68/31/10/585683110.db2.gz ZCADJRXBUJTHTO-CQSZACIVSA-N 0 0 233.286 3.760 20 30 BHEDRN C=C1CCN(C(=O)[C@@H](CC)CCCCC)CC1 ZINC000775717949 585683418 /nfs/dbraw/zinc/68/34/18/585683418.db2.gz WBKYVZCWILJPIL-AWEZNQCLSA-N 0 0 237.387 3.772 20 30 BHEDRN C=C1CCN(C(=O)[C@H](CC)CCCCC)CC1 ZINC000775717950 585683290 /nfs/dbraw/zinc/68/32/90/585683290.db2.gz WBKYVZCWILJPIL-CQSZACIVSA-N 0 0 237.387 3.772 20 30 BHEDRN C=CCN(C(=O)[C@H](CC)CCCCC)C1CC1 ZINC000775802510 585685594 /nfs/dbraw/zinc/68/55/94/585685594.db2.gz UZHOIJRONTZESZ-CYBMUJFWSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCN(C(=O)[C@@H](CC)CCCCC)C1CC1 ZINC000775802511 585685625 /nfs/dbraw/zinc/68/56/25/585685625.db2.gz UZHOIJRONTZESZ-ZDUSSCGKSA-N 0 0 237.387 3.770 20 30 BHEDRN N#CC1(COC(=O)CCCC2CCCCC2)CC1 ZINC000775828045 585685846 /nfs/dbraw/zinc/68/58/46/585685846.db2.gz ZSBYIGWKPZSFQB-UHFFFAOYSA-N 0 0 249.354 3.584 20 30 BHEDRN CCCCCCCCC(=O)OCC1(C#N)CC1 ZINC000775846246 585685969 /nfs/dbraw/zinc/68/59/69/585685969.db2.gz PSLIWDUKVHPJQV-UHFFFAOYSA-N 0 0 237.343 3.584 20 30 BHEDRN CCCCCCCCC(=O)N1CC[C@H]1C(C)C ZINC000775899557 585687458 /nfs/dbraw/zinc/68/74/58/585687458.db2.gz OUPUNQBFPRMOME-AWEZNQCLSA-N 0 0 239.403 3.994 20 30 BHEDRN CCCCCCCCC(=O)N1CC[C@@H]1C(C)C ZINC000775899559 585687466 /nfs/dbraw/zinc/68/74/66/585687466.db2.gz OUPUNQBFPRMOME-CQSZACIVSA-N 0 0 239.403 3.994 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@@H]1C(C)C ZINC000775899647 583107029 /nfs/dbraw/zinc/10/70/29/583107029.db2.gz BDEMFTCVFCFPQW-CYBMUJFWSA-N 0 0 225.376 3.604 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@H]1C(C)C ZINC000775899651 583106982 /nfs/dbraw/zinc/10/69/82/583106982.db2.gz BDEMFTCVFCFPQW-ZDUSSCGKSA-N 0 0 225.376 3.604 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@@H](C)c1ccc(C)o1 ZINC000775922914 585687684 /nfs/dbraw/zinc/68/76/84/585687684.db2.gz FVTHNQFVJYZPJQ-AAEUAGOBSA-N 0 0 249.354 3.553 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)[C@H](C)c1ccc(C)o1 ZINC000775922915 585687818 /nfs/dbraw/zinc/68/78/18/585687818.db2.gz FVTHNQFVJYZPJQ-DGCLKSJQSA-N 0 0 249.354 3.553 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)[C@H](C)c1ccc(C)o1 ZINC000775922916 585687643 /nfs/dbraw/zinc/68/76/43/585687643.db2.gz FVTHNQFVJYZPJQ-WCQYABFASA-N 0 0 249.354 3.553 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)[C@@H](C)c1ccc(C)o1 ZINC000775922917 585687809 /nfs/dbraw/zinc/68/78/09/585687809.db2.gz FVTHNQFVJYZPJQ-YPMHNXCESA-N 0 0 249.354 3.553 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C=C(C1CC1)C1CC1 ZINC000775922967 585687704 /nfs/dbraw/zinc/68/77/04/585687704.db2.gz HJJHDHMQBCASEW-GFCCVEGCSA-N 0 0 247.382 3.594 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C=C(C1CC1)C1CC1 ZINC000775922970 585687800 /nfs/dbraw/zinc/68/78/00/585687800.db2.gz HJJHDHMQBCASEW-LBPRGKRZSA-N 0 0 247.382 3.594 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)CCCCCC ZINC000775923073 585687606 /nfs/dbraw/zinc/68/76/06/585687606.db2.gz IDWDAPKWFAPYGO-CYBMUJFWSA-N 0 0 225.376 3.818 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)CCCCCC ZINC000775923074 585687224 /nfs/dbraw/zinc/68/72/24/585687224.db2.gz IDWDAPKWFAPYGO-ZDUSSCGKSA-N 0 0 225.376 3.818 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C/C(=C\C)CC ZINC000775923104 585687429 /nfs/dbraw/zinc/68/74/29/585687429.db2.gz JCOBCKMTPMOANE-ABPWCKGUSA-N 0 0 235.371 3.760 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C=C/C(=C\C)CC ZINC000775923105 585687353 /nfs/dbraw/zinc/68/73/53/585687353.db2.gz JCOBCKMTPMOANE-DVYFCFBASA-N 0 0 235.371 3.760 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C/C(=C/C)CC ZINC000775923106 585687414 /nfs/dbraw/zinc/68/74/14/585687414.db2.gz JCOBCKMTPMOANE-RBFJORHMSA-N 0 0 235.371 3.760 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C=C/C(=C/C)CC ZINC000775923107 585687431 /nfs/dbraw/zinc/68/74/31/585687431.db2.gz JCOBCKMTPMOANE-SVZGHMRVSA-N 0 0 235.371 3.760 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C1/CC[C@H](C)C1 ZINC000775923368 585687659 /nfs/dbraw/zinc/68/76/59/585687659.db2.gz MHZYYLJVSZDXSG-KBPGAJPISA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000775923369 585687741 /nfs/dbraw/zinc/68/77/41/585687741.db2.gz MHZYYLJVSZDXSG-PDRVLSSUSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C1/CC[C@@H](C)C1 ZINC000775923370 585687724 /nfs/dbraw/zinc/68/77/24/585687724.db2.gz MHZYYLJVSZDXSG-PGSJZPBPSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C1\CC[C@H](C)C1 ZINC000775923371 585687498 /nfs/dbraw/zinc/68/74/98/585687498.db2.gz MHZYYLJVSZDXSG-UBZWLNIWSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C=C/c1ccsc1 ZINC000775924139 585687633 /nfs/dbraw/zinc/68/76/33/585687633.db2.gz IGLKSHMTIPQFMF-ABZNLYFFSA-N 0 0 249.379 3.622 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C/c1ccsc1 ZINC000775924140 585687639 /nfs/dbraw/zinc/68/76/39/585687639.db2.gz IGLKSHMTIPQFMF-GUOLPTJISA-N 0 0 249.379 3.622 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C\c1ccsc1 ZINC000775924236 585687810 /nfs/dbraw/zinc/68/78/10/585687810.db2.gz IGLKSHMTIPQFMF-KRZKBDHCSA-N 0 0 249.379 3.622 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C=C\c1ccsc1 ZINC000775924239 585687647 /nfs/dbraw/zinc/68/76/47/585687647.db2.gz IGLKSHMTIPQFMF-QDZRJHCZSA-N 0 0 249.379 3.622 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C(/C)C(C)(C)C ZINC000775924429 585687641 /nfs/dbraw/zinc/68/76/41/585687641.db2.gz LOQDIWGXJMKGHE-HHQWOOOKSA-N 0 0 237.387 3.840 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C=C(\C)C(C)(C)C ZINC000775924430 585687720 /nfs/dbraw/zinc/68/77/20/585687720.db2.gz LOQDIWGXJMKGHE-XZHRJIJLSA-N 0 0 237.387 3.840 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C=C(/C)C(C)(C)C ZINC000775924431 585687638 /nfs/dbraw/zinc/68/76/38/585687638.db2.gz LOQDIWGXJMKGHE-YLGBQOPLSA-N 0 0 237.387 3.840 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C(\C)C(C)(C)C ZINC000775924432 585687699 /nfs/dbraw/zinc/68/76/99/585687699.db2.gz LOQDIWGXJMKGHE-YLSINNKHSA-N 0 0 237.387 3.840 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C=C1CCCCC1 ZINC000775924492 585687763 /nfs/dbraw/zinc/68/77/63/585687763.db2.gz AQOHCQVOXAGMMX-CYBMUJFWSA-N 0 0 235.371 3.738 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C=C1CCCCC1 ZINC000775924493 585687778 /nfs/dbraw/zinc/68/77/78/585687778.db2.gz AQOHCQVOXAGMMX-ZDUSSCGKSA-N 0 0 235.371 3.738 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C(/C)CCC ZINC000775925298 585687341 /nfs/dbraw/zinc/68/73/41/585687341.db2.gz JNIGQYAXKLLSRN-HHQWOOOKSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C=C(\C)CCC ZINC000775925299 585687123 /nfs/dbraw/zinc/68/71/23/585687123.db2.gz JNIGQYAXKLLSRN-XZHRJIJLSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C=C(/C)CCC ZINC000775925300 585687093 /nfs/dbraw/zinc/68/70/93/585687093.db2.gz JNIGQYAXKLLSRN-YLGBQOPLSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C(\C)CCC ZINC000775925301 585687202 /nfs/dbraw/zinc/68/72/02/585687202.db2.gz JNIGQYAXKLLSRN-YLSINNKHSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C\c1ccccc1 ZINC000775925613 585687768 /nfs/dbraw/zinc/68/77/68/585687768.db2.gz UUDATHQAKKCERP-DINCDJDBSA-N 0 0 243.350 3.561 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C=C/c1ccccc1 ZINC000775925614 585687712 /nfs/dbraw/zinc/68/77/12/585687712.db2.gz UUDATHQAKKCERP-FNDVETGQSA-N 0 0 243.350 3.561 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C=C\c1ccccc1 ZINC000775925615 585687644 /nfs/dbraw/zinc/68/76/44/585687644.db2.gz UUDATHQAKKCERP-WUFNSSIPSA-N 0 0 243.350 3.561 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C=C/c1ccccc1 ZINC000775925616 585687683 /nfs/dbraw/zinc/68/76/83/585687683.db2.gz UUDATHQAKKCERP-XTZCOPOCSA-N 0 0 243.350 3.561 20 30 BHEDRN Cc1ccc(N(CC2(C#N)CC2)C(C)C)cc1 ZINC000775981429 585688683 /nfs/dbraw/zinc/68/86/83/585688683.db2.gz AGFHBXSXCGPJAI-UHFFFAOYSA-N 0 0 228.339 3.514 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C(F)=C1CCCC1 ZINC000776014841 585689298 /nfs/dbraw/zinc/68/92/98/585689298.db2.gz COCVAQOIYKBKRB-LLVKDONJSA-N 0 0 239.334 3.645 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C(F)=C1CCCC1 ZINC000776014850 585689041 /nfs/dbraw/zinc/68/90/41/585689041.db2.gz COCVAQOIYKBKRB-NSHDSACASA-N 0 0 239.334 3.645 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)C(C)=C1CCCC1 ZINC000776017001 585689468 /nfs/dbraw/zinc/68/94/68/585689468.db2.gz ZDXYHKZNTHYHNZ-GFCCVEGCSA-N 0 0 235.371 3.738 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)C(C)=C1CCCC1 ZINC000776017002 585689410 /nfs/dbraw/zinc/68/94/10/585689410.db2.gz ZDXYHKZNTHYHNZ-LBPRGKRZSA-N 0 0 235.371 3.738 20 30 BHEDRN CCCCC[C@@H](CC)C(=O)O[C@H](C#N)C(C)C ZINC000776081638 585689745 /nfs/dbraw/zinc/68/97/45/585689745.db2.gz SHBQFXBOSHKICA-CHWSQXEVSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCCC[C@@H](CC)C(=O)O[C@@H](C#N)C(C)C ZINC000776081641 585689763 /nfs/dbraw/zinc/68/97/63/585689763.db2.gz SHBQFXBOSHKICA-OLZOCXBDSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCCC[C@H](CC)C(=O)O[C@H](C#N)C(C)C ZINC000776081931 585689697 /nfs/dbraw/zinc/68/96/97/585689697.db2.gz SHBQFXBOSHKICA-QWHCGFSZSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCCC[C@H](CC)C(=O)O[C@@H](C#N)C(C)C ZINC000776081933 585689751 /nfs/dbraw/zinc/68/97/51/585689751.db2.gz SHBQFXBOSHKICA-STQMWFEESA-N 0 0 239.359 3.684 20 30 BHEDRN CCCCC[C@@H](CC)C(=O)OC1(C#N)CCC1 ZINC000776097038 585689975 /nfs/dbraw/zinc/68/99/75/585689975.db2.gz PCIYJHUOGJZXNO-GFCCVEGCSA-N 0 0 237.343 3.582 20 30 BHEDRN CCCCC[C@H](CC)C(=O)OC1(C#N)CCC1 ZINC000776097047 585689879 /nfs/dbraw/zinc/68/98/79/585689879.db2.gz PCIYJHUOGJZXNO-LBPRGKRZSA-N 0 0 237.343 3.582 20 30 BHEDRN C=C[C@H](CC)OC(=O)c1cccc(F)c1Cl ZINC000776100182 585689968 /nfs/dbraw/zinc/68/99/68/585689968.db2.gz AMQKYVLMMYAHAV-MRVPVSSYSA-N 0 0 242.677 3.601 20 30 BHEDRN C=C[C@@H](CC)OC(=O)c1cccc(F)c1Cl ZINC000776100183 585689948 /nfs/dbraw/zinc/68/99/48/585689948.db2.gz AMQKYVLMMYAHAV-QMMMGPOBSA-N 0 0 242.677 3.601 20 30 BHEDRN C=C[C@@H](CC)OC(=O)c1cccc(C)c1Cl ZINC000776100234 585689917 /nfs/dbraw/zinc/68/99/17/585689917.db2.gz BWDAAQCULYPUFQ-JTQLQIEISA-N 0 0 238.714 3.770 20 30 BHEDRN C=C[C@H](CC)OC(=O)c1cccc(C)c1Cl ZINC000776100237 585689831 /nfs/dbraw/zinc/68/98/31/585689831.db2.gz BWDAAQCULYPUFQ-SNVBAGLBSA-N 0 0 238.714 3.770 20 30 BHEDRN C=C[C@H](CC)OC(=O)CCCSC(C)(C)C ZINC000776101066 585690075 /nfs/dbraw/zinc/69/00/75/585690075.db2.gz MUPUZUBAUCXCTR-LLVKDONJSA-N 0 0 244.400 3.806 20 30 BHEDRN C=C[C@@H](CC)OC(=O)CCCSC(C)(C)C ZINC000776101068 585690165 /nfs/dbraw/zinc/69/01/65/585690165.db2.gz MUPUZUBAUCXCTR-NSHDSACASA-N 0 0 244.400 3.806 20 30 BHEDRN C=C[C@H](CC)OC(=O)C1(c2ccccc2C)CC1 ZINC000776101639 585690194 /nfs/dbraw/zinc/69/01/94/585690194.db2.gz ROSKDEGKIKBZPD-CYBMUJFWSA-N 0 0 244.334 3.534 20 30 BHEDRN C=C[C@@H](CC)OC(=O)C1(c2ccccc2C)CC1 ZINC000776101640 585690203 /nfs/dbraw/zinc/69/02/03/585690203.db2.gz ROSKDEGKIKBZPD-ZDUSSCGKSA-N 0 0 244.334 3.534 20 30 BHEDRN C=C[C@@H](CC)OC(=O)C1(Cc2ccccc2)CC1 ZINC000776101656 585690148 /nfs/dbraw/zinc/69/01/48/585690148.db2.gz SAWVUNDZMAHCTA-AWEZNQCLSA-N 0 0 244.334 3.517 20 30 BHEDRN C=C[C@H](CC)OC(=O)C1(Cc2ccccc2)CC1 ZINC000776101658 585690109 /nfs/dbraw/zinc/69/01/09/585690109.db2.gz SAWVUNDZMAHCTA-CQSZACIVSA-N 0 0 244.334 3.517 20 30 BHEDRN C=C[C@H](CC)OC(=O)c1ccc(Cl)cc1F ZINC000776102303 585690079 /nfs/dbraw/zinc/69/00/79/585690079.db2.gz XCTHOEQBEQVNOX-SECBINFHSA-N 0 0 242.677 3.601 20 30 BHEDRN C=C[C@@H](CC)OC(=O)c1ccc(Cl)cc1F ZINC000776102304 585690226 /nfs/dbraw/zinc/69/02/26/585690226.db2.gz XCTHOEQBEQVNOX-VIFPVBQESA-N 0 0 242.677 3.601 20 30 BHEDRN C=C[C@H](CC)OC(=O)/C=C(\C)c1ccccc1 ZINC000776103753 585690033 /nfs/dbraw/zinc/69/00/33/585690033.db2.gz AUPMWXZQHQXRJM-GCZGRYASSA-N 0 0 230.307 3.598 20 30 BHEDRN C=C[C@@H](CC)OC(=O)/C=C(\C)c1ccccc1 ZINC000776103765 585690035 /nfs/dbraw/zinc/69/00/35/585690035.db2.gz AUPMWXZQHQXRJM-GETOMWPZSA-N 0 0 230.307 3.598 20 30 BHEDRN C=C[C@@H](CC)OC(=O)/C=C(/C)c1ccccc1 ZINC000776103766 585690105 /nfs/dbraw/zinc/69/01/05/585690105.db2.gz AUPMWXZQHQXRJM-NYHXXUGCSA-N 0 0 230.307 3.598 20 30 BHEDRN C=C[C@H](CC)OC(=O)/C=C(/C)c1ccccc1 ZINC000776103767 585690041 /nfs/dbraw/zinc/69/00/41/585690041.db2.gz AUPMWXZQHQXRJM-XMXAVACDSA-N 0 0 230.307 3.598 20 30 BHEDRN C=C[C@@H](CC)OC(=O)C1(c2ccccc2)CCC1 ZINC000776103967 585690107 /nfs/dbraw/zinc/69/01/07/585690107.db2.gz BUXGOVWKGXCCGO-AWEZNQCLSA-N 0 0 244.334 3.616 20 30 BHEDRN C=C[C@H](CC)OC(=O)C1(c2ccccc2)CCC1 ZINC000776103968 585690207 /nfs/dbraw/zinc/69/02/07/585690207.db2.gz BUXGOVWKGXCCGO-CQSZACIVSA-N 0 0 244.334 3.616 20 30 BHEDRN C=C[C@H](CC)OC(=O)c1cc2occc2s1 ZINC000776104105 585690287 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C=CCCC(CC)N=Nc1cc(Cl)ccn1 ZINC000777907561 585723661 /nfs/dbraw/zinc/72/36/61/585723661.db2.gz YFQTYEUTIFYIHI-UHFFFAOYSA-N 0 0 237.734 3.879 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1cc(Cl)ccn1 ZINC000777907612 643203113 /nfs/dbraw/zinc/20/31/13/643203113.db2.gz XKSYMFQZDMILBS-SECBINFHSA-N 0 0 237.734 3.713 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1cc(Cl)ccn1 ZINC000777907613 643204052 /nfs/dbraw/zinc/20/40/52/643204052.db2.gz XKSYMFQZDMILBS-VIFPVBQESA-N 0 0 237.734 3.713 20 30 BHEDRN C[C@@H]1CCCC(N=Nc2cc(Cl)ccn2)C1 ZINC000777912801 585723629 /nfs/dbraw/zinc/72/36/29/585723629.db2.gz DVCFQTXWGLEYLW-SECBINFHSA-N 0 0 237.734 3.713 20 30 BHEDRN C[C@H]1CCCC(N=Nc2cc(Cl)ccn2)C1 ZINC000777912803 585723716 /nfs/dbraw/zinc/72/37/16/585723716.db2.gz DVCFQTXWGLEYLW-VIFPVBQESA-N 0 0 237.734 3.713 20 30 BHEDRN C=C(C)CN(C)C(=S)Nc1cc(C)cc(C)c1 ZINC000777917754 585723756 /nfs/dbraw/zinc/72/37/56/585723756.db2.gz CSYYAAUYHVKGBK-UHFFFAOYSA-N 0 0 248.395 3.508 20 30 BHEDRN C=C(C)CN(C)C(=S)Nc1c(C)cccc1C ZINC000777917788 585723811 /nfs/dbraw/zinc/72/38/11/585723811.db2.gz DWAISRLHWJZLKP-UHFFFAOYSA-N 0 0 248.395 3.508 20 30 BHEDRN C=C(C)CN(C)C(=S)Nc1ccc(C)cc1C ZINC000777918324 585723654 /nfs/dbraw/zinc/72/36/54/585723654.db2.gz LVNVTKIIMCVTDA-UHFFFAOYSA-N 0 0 248.395 3.508 20 30 BHEDRN C=C(C)CN(C)C(=S)Nc1ccc(C)c(C)c1 ZINC000777918892 585723711 /nfs/dbraw/zinc/72/37/11/585723711.db2.gz PXSVPPYTXKNKLJ-UHFFFAOYSA-N 0 0 248.395 3.508 20 30 BHEDRN C=C(C)CN(C)C(=S)Nc1cccc(C)c1C ZINC000777919346 585723606 /nfs/dbraw/zinc/72/36/06/585723606.db2.gz TWLAYNXCLAMVIV-UHFFFAOYSA-N 0 0 248.395 3.508 20 30 BHEDRN C=C(C)CN(C)C(=S)Nc1cc(C)ccc1C ZINC000777919978 585724025 /nfs/dbraw/zinc/72/40/25/585724025.db2.gz ZKPKDCWSYPWIKO-UHFFFAOYSA-N 0 0 248.395 3.508 20 30 BHEDRN C#CCCCOc1ccc(-c2ccccc2)nc1 ZINC000778037746 585725197 /nfs/dbraw/zinc/72/51/97/585725197.db2.gz XCISBSAQKGUDGC-UHFFFAOYSA-N 0 0 237.302 3.541 20 30 BHEDRN C#CCCCSC[C@@H](C)c1ccccc1 ZINC000778045115 585725279 /nfs/dbraw/zinc/72/52/79/585725279.db2.gz NQAXUNMJMDUALA-CYBMUJFWSA-N 0 0 218.365 3.937 20 30 BHEDRN C#CCCCSC[C@H](C)c1ccccc1 ZINC000778045116 585725247 /nfs/dbraw/zinc/72/52/47/585725247.db2.gz NQAXUNMJMDUALA-ZDUSSCGKSA-N 0 0 218.365 3.937 20 30 BHEDRN C=CCCCSCc1ccc2c(c1)COC2 ZINC000778045245 585725273 /nfs/dbraw/zinc/72/52/73/585725273.db2.gz BCYLNOIPSJJHMP-UHFFFAOYSA-N 0 0 234.364 3.916 20 30 BHEDRN C=CCCSCc1ccc2c(c1)COC2 ZINC000778045742 585725236 /nfs/dbraw/zinc/72/52/36/585725236.db2.gz GFKXZWOTMLMYKG-UHFFFAOYSA-N 0 0 220.337 3.526 20 30 BHEDRN C=C(CC)CSCc1ccc2c(c1)COC2 ZINC000778046073 585725275 /nfs/dbraw/zinc/72/52/75/585725275.db2.gz XNIURHXYFXBGCW-UHFFFAOYSA-N 0 0 234.364 3.916 20 30 BHEDRN C=C(C)CSCc1ccc2c(c1)COC2 ZINC000778046784 585725317 /nfs/dbraw/zinc/72/53/17/585725317.db2.gz QGNAZMOSDXCVQD-UHFFFAOYSA-N 0 0 220.337 3.526 20 30 BHEDRN C#CCCSC[C@@H](C)c1ccccc1 ZINC000778049775 585725195 /nfs/dbraw/zinc/72/51/95/585725195.db2.gz IFVMYTMYFHADKD-GFCCVEGCSA-N 0 0 204.338 3.547 20 30 BHEDRN C#CCCSC[C@H](C)c1ccccc1 ZINC000778049776 585725321 /nfs/dbraw/zinc/72/53/21/585725321.db2.gz IFVMYTMYFHADKD-LBPRGKRZSA-N 0 0 204.338 3.547 20 30 BHEDRN N#CCCCCSCc1ccc2c(c1)COC2 ZINC000778055024 585725320 /nfs/dbraw/zinc/72/53/20/585725320.db2.gz NZDIDHCUXPLCJP-UHFFFAOYSA-N 0 0 247.363 3.644 20 30 BHEDRN C=C(Cl)CSCc1ccc2c(c1)COC2 ZINC000778055211 585725376 /nfs/dbraw/zinc/72/53/76/585725376.db2.gz QQXXDQDSOKRJPT-UHFFFAOYSA-N 0 0 240.755 3.703 20 30 BHEDRN C=C(C)CN(C)C(=O)C[C@H](C)CCCCC ZINC000778120786 585725838 /nfs/dbraw/zinc/72/58/38/585725838.db2.gz CSONWLGMJQIINS-CYBMUJFWSA-N 0 0 225.376 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)C[C@@H](C)CCCCC ZINC000778120787 585725901 /nfs/dbraw/zinc/72/59/01/585725901.db2.gz CSONWLGMJQIINS-ZDUSSCGKSA-N 0 0 225.376 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)C(C)(C)C1CCCCC1 ZINC000778121015 585725842 /nfs/dbraw/zinc/72/58/42/585725842.db2.gz FSHTXSMEDKUNAC-UHFFFAOYSA-N 0 0 237.387 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)CCCCCC(C)C ZINC000778121057 585726035 /nfs/dbraw/zinc/72/60/35/585726035.db2.gz GWSJXUKQRVUKKP-UHFFFAOYSA-N 0 0 225.376 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)[C@H](C)CCCCCC ZINC000778121367 585726031 /nfs/dbraw/zinc/72/60/31/585726031.db2.gz JPOZUXLXPOWOGO-CYBMUJFWSA-N 0 0 225.376 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)[C@@H](C)CCCCCC ZINC000778121369 585725950 /nfs/dbraw/zinc/72/59/50/585725950.db2.gz JPOZUXLXPOWOGO-ZDUSSCGKSA-N 0 0 225.376 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)[C@H](CC)CCCCC ZINC000778122395 585725825 /nfs/dbraw/zinc/72/58/25/585725825.db2.gz HABXOHVSDFVKSX-CYBMUJFWSA-N 0 0 225.376 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)[C@@H](CC)CCCCC ZINC000778122396 585726001 /nfs/dbraw/zinc/72/60/01/585726001.db2.gz HABXOHVSDFVKSX-ZDUSSCGKSA-N 0 0 225.376 3.627 20 30 BHEDRN C=C(C)CN(C)C(=O)c1ccc([C@H](C)CC)cc1 ZINC000778124830 585725707 /nfs/dbraw/zinc/72/57/07/585725707.db2.gz SWGBTJJKWUTOTR-CYBMUJFWSA-N 0 0 245.366 3.848 20 30 BHEDRN C=C(C)CN(C)C(=O)c1ccc([C@@H](C)CC)cc1 ZINC000778124832 585725651 /nfs/dbraw/zinc/72/56/51/585725651.db2.gz SWGBTJJKWUTOTR-ZDUSSCGKSA-N 0 0 245.366 3.848 20 30 BHEDRN C=C(C)CN(C)C(=O)C=C1CCC(C)(C)CC1 ZINC000778125616 585726018 /nfs/dbraw/zinc/72/60/18/585726018.db2.gz BGCYCQIOWPCBDD-UHFFFAOYSA-N 0 0 235.371 3.548 20 30 BHEDRN C=C(C)CN(C)C(=O)/C=C(/CC)c1ccccc1 ZINC000778125689 585725921 /nfs/dbraw/zinc/72/59/21/585725921.db2.gz XVRWTOWCOPFKOF-KAMYIIQDSA-N 0 0 243.350 3.515 20 30 BHEDRN C=C(C)CN(C)C(=O)/C=C(\CC)c1ccccc1 ZINC000778125691 585725909 /nfs/dbraw/zinc/72/59/09/585725909.db2.gz XVRWTOWCOPFKOF-SDNWHVSQSA-N 0 0 243.350 3.515 20 30 BHEDRN C=C(C)CN(C)C(=O)C=C(CCC)CCC ZINC000778126115 585726117 /nfs/dbraw/zinc/72/61/17/585726117.db2.gz HJMFTCVCPRVDBN-UHFFFAOYSA-N 0 0 223.360 3.548 20 30 BHEDRN C=C(C)CN(C)C(=O)CCCCCCCC ZINC000778126658 585726231 /nfs/dbraw/zinc/72/62/31/585726231.db2.gz PFNJZYSXGJDHSS-UHFFFAOYSA-N 0 0 225.376 3.772 20 30 BHEDRN C=C(C)CN(C)C(=O)[C@@H](CCCCC)C(C)C ZINC000778130634 585726262 /nfs/dbraw/zinc/72/62/62/585726262.db2.gz SWIRZDWMWFJNNG-AWEZNQCLSA-N 0 0 239.403 3.873 20 30 BHEDRN C=C(C)CN(C)C(=O)[C@H](CCCCC)C(C)C ZINC000778130635 585726085 /nfs/dbraw/zinc/72/60/85/585726085.db2.gz SWIRZDWMWFJNNG-CQSZACIVSA-N 0 0 239.403 3.873 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)C[C@@H]1C=CCCC1 ZINC000778391096 585733434 /nfs/dbraw/zinc/73/34/34/585733434.db2.gz HCAZYBFSGREZOJ-CHWSQXEVSA-N 0 0 222.328 3.631 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)C[C@H]1C=CCCC1 ZINC000778391097 585733203 /nfs/dbraw/zinc/73/32/03/585733203.db2.gz HCAZYBFSGREZOJ-OLZOCXBDSA-N 0 0 222.328 3.631 20 30 BHEDRN C=CCC[C@H](C)OC(=O)C[C@@H]1C=CCCC1 ZINC000778391098 585733240 /nfs/dbraw/zinc/73/32/40/585733240.db2.gz HCAZYBFSGREZOJ-QWHCGFSZSA-N 0 0 222.328 3.631 20 30 BHEDRN C=CCC[C@H](C)OC(=O)C[C@H]1C=CCCC1 ZINC000778391099 585733290 /nfs/dbraw/zinc/73/32/90/585733290.db2.gz HCAZYBFSGREZOJ-STQMWFEESA-N 0 0 222.328 3.631 20 30 BHEDRN C=CC[C@H](C(=O)OCCCC)c1ccccc1 ZINC000778416693 585734478 /nfs/dbraw/zinc/73/44/78/585734478.db2.gz BBZZFRZFGOQJNY-AWEZNQCLSA-N 0 0 232.323 3.690 20 30 BHEDRN C=CC[C@@H](C(=O)OCCCC)c1ccccc1 ZINC000778416694 585734571 /nfs/dbraw/zinc/73/45/71/585734571.db2.gz BBZZFRZFGOQJNY-CQSZACIVSA-N 0 0 232.323 3.690 20 30 BHEDRN C=CC[C@H](C(=O)OCC1CCC1)c1ccccc1 ZINC000778418275 585734546 /nfs/dbraw/zinc/73/45/46/585734546.db2.gz LSRRETSONHYCKX-HNNXBMFYSA-N 0 0 244.334 3.690 20 30 BHEDRN C=CC[C@@H](C(=O)OCC1CCC1)c1ccccc1 ZINC000778418277 582545321 /nfs/dbraw/zinc/54/53/21/582545321.db2.gz LSRRETSONHYCKX-OAHLLOKOSA-N 0 0 244.334 3.690 20 30 BHEDRN C=CC[C@H](C(=O)OCC(C)C)c1ccccc1 ZINC000778418620 585734390 /nfs/dbraw/zinc/73/43/90/585734390.db2.gz SOIGSFYKKHGWFL-AWEZNQCLSA-N 0 0 232.323 3.546 20 30 BHEDRN C=CC[C@@H](C(=O)OCC(C)C)c1ccccc1 ZINC000778418621 585734608 /nfs/dbraw/zinc/73/46/08/585734608.db2.gz SOIGSFYKKHGWFL-CQSZACIVSA-N 0 0 232.323 3.546 20 30 BHEDRN C=CCCCOC(=O)[C@@H](CC=C)c1ccccc1 ZINC000778418791 585734377 /nfs/dbraw/zinc/73/43/77/585734377.db2.gz OBOLUSREPXOHNT-HNNXBMFYSA-N 0 0 244.334 3.856 20 30 BHEDRN C=CCCCOC(=O)[C@H](CC=C)c1ccccc1 ZINC000778418792 585734723 /nfs/dbraw/zinc/73/47/23/585734723.db2.gz OBOLUSREPXOHNT-OAHLLOKOSA-N 0 0 244.334 3.856 20 30 BHEDRN C=CC[C@H](C(=O)OCC(=C)CC)c1ccccc1 ZINC000778426837 585734372 /nfs/dbraw/zinc/73/43/72/585734372.db2.gz HSOCCDHKNKMBLS-HNNXBMFYSA-N 0 0 244.334 3.856 20 30 BHEDRN C=CC[C@@H](C(=O)OCC(=C)CC)c1ccccc1 ZINC000778426838 585734358 /nfs/dbraw/zinc/73/43/58/585734358.db2.gz HSOCCDHKNKMBLS-OAHLLOKOSA-N 0 0 244.334 3.856 20 30 BHEDRN C=CC[C@@H](C(=O)O[C@@H](C)CC)c1ccccc1 ZINC000778429537 585734684 /nfs/dbraw/zinc/73/46/84/585734684.db2.gz OWZOHUZRKKKSBD-GXTWGEPZSA-N 0 0 232.323 3.688 20 30 BHEDRN C=CC[C@H](C(=O)O[C@@H](C)CC)c1ccccc1 ZINC000778429538 585734665 /nfs/dbraw/zinc/73/46/65/585734665.db2.gz OWZOHUZRKKKSBD-JSGCOSHPSA-N 0 0 232.323 3.688 20 30 BHEDRN C=CC[C@H](C(=O)O[C@H](C)CC)c1ccccc1 ZINC000778429540 585734604 /nfs/dbraw/zinc/73/46/04/585734604.db2.gz OWZOHUZRKKKSBD-OCCSQVGLSA-N 0 0 232.323 3.688 20 30 BHEDRN C=CC[C@@H](C(=O)O[C@H](C)CC)c1ccccc1 ZINC000778429542 585734553 /nfs/dbraw/zinc/73/45/53/585734553.db2.gz OWZOHUZRKKKSBD-TZMCWYRMSA-N 0 0 232.323 3.688 20 30 BHEDRN C=CC[C@H](C(=O)OCCC1CC1)c1ccccc1 ZINC000778429655 585734620 /nfs/dbraw/zinc/73/46/20/585734620.db2.gz YFTVBSYJVHJDBG-HNNXBMFYSA-N 0 0 244.334 3.690 20 30 BHEDRN C=CC[C@@H](C(=O)OCCC1CC1)c1ccccc1 ZINC000778429657 585734466 /nfs/dbraw/zinc/73/44/66/585734466.db2.gz YFTVBSYJVHJDBG-OAHLLOKOSA-N 0 0 244.334 3.690 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@@H](C)[C@H](F)C1 ZINC000778457251 585735295 /nfs/dbraw/zinc/73/52/95/585735295.db2.gz CBLCMKBNEWEMLJ-CHWSQXEVSA-N 0 0 243.366 3.553 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@@H](C)[C@@H](F)C1 ZINC000778457252 585735290 /nfs/dbraw/zinc/73/52/90/585735290.db2.gz CBLCMKBNEWEMLJ-OLZOCXBDSA-N 0 0 243.366 3.553 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@H](C)[C@H](F)C1 ZINC000778457253 585735329 /nfs/dbraw/zinc/73/53/29/585735329.db2.gz CBLCMKBNEWEMLJ-QWHCGFSZSA-N 0 0 243.366 3.553 20 30 BHEDRN CCCCCCCC(=O)N1CC[C@H](C)[C@@H](F)C1 ZINC000778457254 585735296 /nfs/dbraw/zinc/73/52/96/585735296.db2.gz CBLCMKBNEWEMLJ-STQMWFEESA-N 0 0 243.366 3.553 20 30 BHEDRN CCC(=NOCC(C)C)c1ccccc1F ZINC000778544313 585737012 /nfs/dbraw/zinc/73/70/12/585737012.db2.gz IPYMQJSIMLYRTJ-UHFFFAOYSA-N 0 0 223.291 3.612 20 30 BHEDRN CCC(=NOCC(F)(F)F)c1ccccc1F ZINC000778545494 582549284 /nfs/dbraw/zinc/54/92/84/582549284.db2.gz RTPHNJAJXXAUIV-UHFFFAOYSA-N 0 0 249.207 3.519 20 30 BHEDRN C=CCC[C@H](C(=O)OCC1CC1)c1ccccc1 ZINC000778552131 585737160 /nfs/dbraw/zinc/73/71/60/585737160.db2.gz KOQXYEFWNUZTOZ-HNNXBMFYSA-N 0 0 244.334 3.690 20 30 BHEDRN C=CCC[C@@H](C(=O)OCC1CC1)c1ccccc1 ZINC000778552132 585737059 /nfs/dbraw/zinc/73/70/59/585737059.db2.gz KOQXYEFWNUZTOZ-OAHLLOKOSA-N 0 0 244.334 3.690 20 30 BHEDRN C=CCC[C@H](C(=O)OCCC)c1ccccc1 ZINC000778552568 585737234 /nfs/dbraw/zinc/73/72/34/585737234.db2.gz OHKMLAGHVIGFFJ-AWEZNQCLSA-N 0 0 232.323 3.690 20 30 BHEDRN C=CCC[C@@H](C(=O)OCCC)c1ccccc1 ZINC000778552569 585737212 /nfs/dbraw/zinc/73/72/12/585737212.db2.gz OHKMLAGHVIGFFJ-CQSZACIVSA-N 0 0 232.323 3.690 20 30 BHEDRN C=CCC[C@H](C(=O)OCC(=C)C)c1ccccc1 ZINC000778553172 585737104 /nfs/dbraw/zinc/73/71/04/585737104.db2.gz SPFRBZAMTHUQQD-HNNXBMFYSA-N 0 0 244.334 3.856 20 30 BHEDRN C=CCC[C@@H](C(=O)OCC(=C)C)c1ccccc1 ZINC000778553173 585737058 /nfs/dbraw/zinc/73/70/58/585737058.db2.gz SPFRBZAMTHUQQD-OAHLLOKOSA-N 0 0 244.334 3.856 20 30 BHEDRN C=CCCOC(=O)[C@@H](CCC=C)c1ccccc1 ZINC000778554220 585737144 /nfs/dbraw/zinc/73/71/44/585737144.db2.gz KKFSMCITTOKMJD-HNNXBMFYSA-N 0 0 244.334 3.856 20 30 BHEDRN C=CCCOC(=O)[C@H](CCC=C)c1ccccc1 ZINC000778554221 585737189 /nfs/dbraw/zinc/73/71/89/585737189.db2.gz KKFSMCITTOKMJD-OAHLLOKOSA-N 0 0 244.334 3.856 20 30 BHEDRN C#CCCNc1ccc2c(Cl)ccc(C)c2n1 ZINC000778572895 585737424 /nfs/dbraw/zinc/73/74/24/585737424.db2.gz OLNFKQZEWBKPBJ-UHFFFAOYSA-N 0 0 244.725 3.632 20 30 BHEDRN Cc1c(C#N)cccc1NCCc1cccs1 ZINC000778613825 585738201 /nfs/dbraw/zinc/73/82/01/585738201.db2.gz QVGIAEVIPJBQTC-UHFFFAOYSA-N 0 0 242.347 3.583 20 30 BHEDRN C=CC[C@H](C(=O)OC[C@H]1C[C@@H]1C)c1ccccc1 ZINC000778618638 585738344 /nfs/dbraw/zinc/73/83/44/585738344.db2.gz WCNSPTAJVWGOSK-CFVMTHIKSA-N 0 0 244.334 3.546 20 30 BHEDRN C=CC[C@H](C(=O)OC[C@@H]1C[C@@H]1C)c1ccccc1 ZINC000778618641 585738300 /nfs/dbraw/zinc/73/83/00/585738300.db2.gz WCNSPTAJVWGOSK-QEJZJMRPSA-N 0 0 244.334 3.546 20 30 BHEDRN C=CC[C@H](C(=O)OC[C@@H]1C[C@H]1C)c1ccccc1 ZINC000778618642 585738306 /nfs/dbraw/zinc/73/83/06/585738306.db2.gz WCNSPTAJVWGOSK-SNPRPXQTSA-N 0 0 244.334 3.546 20 30 BHEDRN C=CC[C@H](C(=O)OC[C@H]1C[C@H]1C)c1ccccc1 ZINC000778618657 585738363 /nfs/dbraw/zinc/73/83/63/585738363.db2.gz WCNSPTAJVWGOSK-YUELXQCFSA-N 0 0 244.334 3.546 20 30 BHEDRN C#CCCCSCCCc1cccc(F)c1 ZINC000778623979 585738327 /nfs/dbraw/zinc/73/83/27/585738327.db2.gz UUXFZZRNOSXPTJ-UHFFFAOYSA-N 0 0 236.355 3.905 20 30 BHEDRN C=CC[C@H](C(=O)OCCC(=C)C)c1ccccc1 ZINC000778655118 585738450 /nfs/dbraw/zinc/73/84/50/585738450.db2.gz ADTYZANZVZBCOB-HNNXBMFYSA-N 0 0 244.334 3.856 20 30 BHEDRN C=CC[C@@H](C(=O)OCCC(=C)C)c1ccccc1 ZINC000778655119 585738606 /nfs/dbraw/zinc/73/86/06/585738606.db2.gz ADTYZANZVZBCOB-OAHLLOKOSA-N 0 0 244.334 3.856 20 30 BHEDRN C=CCC[C@H](C(=O)OC1CCC1)c1ccccc1 ZINC000778659587 585738463 /nfs/dbraw/zinc/73/84/63/585738463.db2.gz XFZLOQPBDCMWOM-HNNXBMFYSA-N 0 0 244.334 3.832 20 30 BHEDRN C=CCC[C@@H](C(=O)OC1CCC1)c1ccccc1 ZINC000778659589 585738622 /nfs/dbraw/zinc/73/86/22/585738622.db2.gz XFZLOQPBDCMWOM-OAHLLOKOSA-N 0 0 244.334 3.832 20 30 BHEDRN C=CCC(CC=C)C(=O)OC1(C)CCCC1 ZINC000778679699 585738942 /nfs/dbraw/zinc/73/89/42/585738942.db2.gz SFSGVEMHUIETOG-UHFFFAOYSA-N 0 0 222.328 3.631 20 30 BHEDRN C=CC[C@@H](C(=O)O[C@@H](C)C(C)C)c1ccccc1 ZINC000778682377 585739219 /nfs/dbraw/zinc/73/92/19/585739219.db2.gz RFRAVNYRGXZGJR-DZGCQCFKSA-N 0 0 246.350 3.934 20 30 BHEDRN C=CC[C@H](C(=O)O[C@H](C)C(C)C)c1ccccc1 ZINC000778682380 585739101 /nfs/dbraw/zinc/73/91/01/585739101.db2.gz RFRAVNYRGXZGJR-HIFRSBDPSA-N 0 0 246.350 3.934 20 30 BHEDRN C=CC[C@@H](C(=O)O[C@H](C)C(C)C)c1ccccc1 ZINC000778682383 585739126 /nfs/dbraw/zinc/73/91/26/585739126.db2.gz RFRAVNYRGXZGJR-UKRRQHHQSA-N 0 0 246.350 3.934 20 30 BHEDRN C=CC[C@H](C(=O)O[C@@H](C)C(C)C)c1ccccc1 ZINC000778682386 585739210 /nfs/dbraw/zinc/73/92/10/585739210.db2.gz RFRAVNYRGXZGJR-ZFWWWQNUSA-N 0 0 246.350 3.934 20 30 BHEDRN C=CC[C@H](C(=O)OCC=C(C)C)c1ccccc1 ZINC000778703274 585739601 /nfs/dbraw/zinc/73/96/01/585739601.db2.gz YOYYHYRZGZMTBN-HNNXBMFYSA-N 0 0 244.334 3.856 20 30 BHEDRN C=CC[C@@H](C(=O)OCC=C(C)C)c1ccccc1 ZINC000778703276 585739630 /nfs/dbraw/zinc/73/96/30/585739630.db2.gz YOYYHYRZGZMTBN-OAHLLOKOSA-N 0 0 244.334 3.856 20 30 BHEDRN C=CC[C@H](C(=O)O[C@H](C=C)CC)c1ccccc1 ZINC000778706441 585739624 /nfs/dbraw/zinc/73/96/24/585739624.db2.gz QWFXCUZZAHNCET-CABCVRRESA-N 0 0 244.334 3.854 20 30 BHEDRN C=CC[C@H](C(=O)O[C@@H](C=C)CC)c1ccccc1 ZINC000778706442 585739564 /nfs/dbraw/zinc/73/95/64/585739564.db2.gz QWFXCUZZAHNCET-GJZGRUSLSA-N 0 0 244.334 3.854 20 30 BHEDRN C=CC[C@@H](C(=O)O[C@H](C=C)CC)c1ccccc1 ZINC000778706443 585739680 /nfs/dbraw/zinc/73/96/80/585739680.db2.gz QWFXCUZZAHNCET-HUUCEWRRSA-N 0 0 244.334 3.854 20 30 BHEDRN C=CC[C@@H](C(=O)O[C@@H](C=C)CC)c1ccccc1 ZINC000778706444 585739698 /nfs/dbraw/zinc/73/96/98/585739698.db2.gz QWFXCUZZAHNCET-LSDHHAIUSA-N 0 0 244.334 3.854 20 30 BHEDRN C=CC[C@H](C(=O)O[C@@H]1C=CCC1)c1ccccc1 ZINC000778712007 585739703 /nfs/dbraw/zinc/73/97/03/585739703.db2.gz DSDIMEHEIKTELH-CABCVRRESA-N 0 0 242.318 3.608 20 30 BHEDRN C=CC[C@H](C(=O)O[C@H]1C=CCC1)c1ccccc1 ZINC000778712010 585739652 /nfs/dbraw/zinc/73/96/52/585739652.db2.gz DSDIMEHEIKTELH-GJZGRUSLSA-N 0 0 242.318 3.608 20 30 BHEDRN C=CC[C@@H](C(=O)O[C@@H]1C=CCC1)c1ccccc1 ZINC000778712013 585739561 /nfs/dbraw/zinc/73/95/61/585739561.db2.gz DSDIMEHEIKTELH-HUUCEWRRSA-N 0 0 242.318 3.608 20 30 BHEDRN C=CC[C@@H](C(=O)O[C@H]1C=CCC1)c1ccccc1 ZINC000778712024 585739700 /nfs/dbraw/zinc/73/97/00/585739700.db2.gz DSDIMEHEIKTELH-LSDHHAIUSA-N 0 0 242.318 3.608 20 30 BHEDRN C=C(C)CN(C)C(=O)NCCCCCCCC ZINC000778716630 585739739 /nfs/dbraw/zinc/73/97/39/585739739.db2.gz ZZBPZFUGHYWMOL-UHFFFAOYSA-N 0 0 240.391 3.564 20 30 BHEDRN C=CC[C@@H](C(=O)O[C@@H](C)C(=C)C)c1ccccc1 ZINC000778726945 585739903 /nfs/dbraw/zinc/73/99/03/585739903.db2.gz ODIVPQQNDSQFDW-DZGCQCFKSA-N 0 0 244.334 3.854 20 30 BHEDRN C=CC[C@H](C(=O)O[C@H](C)C(=C)C)c1ccccc1 ZINC000778726948 585739847 /nfs/dbraw/zinc/73/98/47/585739847.db2.gz ODIVPQQNDSQFDW-HIFRSBDPSA-N 0 0 244.334 3.854 20 30 BHEDRN C=CC[C@@H](C(=O)O[C@H](C)C(=C)C)c1ccccc1 ZINC000778726954 585739864 /nfs/dbraw/zinc/73/98/64/585739864.db2.gz ODIVPQQNDSQFDW-UKRRQHHQSA-N 0 0 244.334 3.854 20 30 BHEDRN C=CC[C@H](C(=O)O[C@@H](C)C(=C)C)c1ccccc1 ZINC000778726960 585739806 /nfs/dbraw/zinc/73/98/06/585739806.db2.gz ODIVPQQNDSQFDW-ZFWWWQNUSA-N 0 0 244.334 3.854 20 30 BHEDRN C=CC[C@H](OC(=O)/C(C)=C/C)c1ccccc1 ZINC000778736503 585739919 /nfs/dbraw/zinc/73/99/19/585739919.db2.gz CKKSASOTYKNREV-CLUXPMKYSA-N 0 0 230.307 3.813 20 30 BHEDRN C=CC[C@@H](OC(=O)/C(C)=C/C)c1ccccc1 ZINC000778736504 585739923 /nfs/dbraw/zinc/73/99/23/585739923.db2.gz CKKSASOTYKNREV-IMBBRHANSA-N 0 0 230.307 3.813 20 30 BHEDRN C=CC[C@H](OC(=O)/C(C)=C\C)c1ccccc1 ZINC000778736505 585739867 /nfs/dbraw/zinc/73/98/67/585739867.db2.gz CKKSASOTYKNREV-VDFGQWLZSA-N 0 0 230.307 3.813 20 30 BHEDRN C=CC[C@@H](OC(=O)/C(C)=C\C)c1ccccc1 ZINC000778736506 585739954 /nfs/dbraw/zinc/73/99/54/585739954.db2.gz CKKSASOTYKNREV-WTKLMOFPSA-N 0 0 230.307 3.813 20 30 BHEDRN C=CC[C@@H](OC(=O)/C=C/C1CC1)c1ccccc1 ZINC000778737316 585740107 /nfs/dbraw/zinc/74/01/07/585740107.db2.gz MFKCUCZPJQEDKV-AYJWMTRPSA-N 0 0 242.318 3.813 20 30 BHEDRN C=CC[C@@H](OC(=O)/C=C\C1CC1)c1ccccc1 ZINC000778737318 585740130 /nfs/dbraw/zinc/74/01/30/585740130.db2.gz MFKCUCZPJQEDKV-QYMJWVLRSA-N 0 0 242.318 3.813 20 30 BHEDRN C=CC[C@H](OC(=O)/C=C/C1CC1)c1ccccc1 ZINC000778737319 585740031 /nfs/dbraw/zinc/74/00/31/585740031.db2.gz MFKCUCZPJQEDKV-RUMSDORHSA-N 0 0 242.318 3.813 20 30 BHEDRN C=CC[C@H](OC(=O)/C=C\C1CC1)c1ccccc1 ZINC000778737321 585740146 /nfs/dbraw/zinc/74/01/46/585740146.db2.gz MFKCUCZPJQEDKV-SSCKCOOKSA-N 0 0 242.318 3.813 20 30 BHEDRN C=CC[C@H](OC(=O)CC(C)C)c1ccccc1 ZINC000778737423 585740010 /nfs/dbraw/zinc/74/00/10/585740010.db2.gz ATXULPQGJPOGIY-AWEZNQCLSA-N 0 0 232.323 3.893 20 30 BHEDRN C=CC[C@@H](OC(=O)CC(C)C)c1ccccc1 ZINC000778737424 585740033 /nfs/dbraw/zinc/74/00/33/585740033.db2.gz ATXULPQGJPOGIY-CQSZACIVSA-N 0 0 232.323 3.893 20 30 BHEDRN C=CC[C@H](OC(=O)C=C1CCC1)c1ccccc1 ZINC000778737685 585740081 /nfs/dbraw/zinc/74/00/81/585740081.db2.gz CZMLTNPOIOBBDW-HNNXBMFYSA-N 0 0 242.318 3.957 20 30 BHEDRN C=CC[C@@H](OC(=O)C=C1CCC1)c1ccccc1 ZINC000778737686 585740067 /nfs/dbraw/zinc/74/00/67/585740067.db2.gz CZMLTNPOIOBBDW-OAHLLOKOSA-N 0 0 242.318 3.957 20 30 BHEDRN C=CC[C@H](OC(=O)[C@H](C)C1CC1)c1ccccc1 ZINC000778737687 585740000 /nfs/dbraw/zinc/74/00/00/585740000.db2.gz DCTKKEXBOVJKJA-DOMZBBRYSA-N 0 0 244.334 3.893 20 30 BHEDRN C=CC[C@@H](OC(=O)[C@H](C)C1CC1)c1ccccc1 ZINC000778737766 585740109 /nfs/dbraw/zinc/74/01/09/585740109.db2.gz DCTKKEXBOVJKJA-IUODEOHRSA-N 0 0 244.334 3.893 20 30 BHEDRN C=CC[C@@H](OC(=O)[C@@H](C)C1CC1)c1ccccc1 ZINC000778737768 585740162 /nfs/dbraw/zinc/74/01/62/585740162.db2.gz DCTKKEXBOVJKJA-SWLSCSKDSA-N 0 0 244.334 3.893 20 30 BHEDRN C=CC[C@H](OC(=O)[C@@H](C)C1CC1)c1ccccc1 ZINC000778737770 585740003 /nfs/dbraw/zinc/74/00/03/585740003.db2.gz DCTKKEXBOVJKJA-WFASDCNBSA-N 0 0 244.334 3.893 20 30 BHEDRN C=CC[C@H](OC(=O)CC1CC1)c1ccccc1 ZINC000778737865 585740106 /nfs/dbraw/zinc/74/01/06/585740106.db2.gz FCVMWSTYADEXDG-AWEZNQCLSA-N 0 0 230.307 3.647 20 30 BHEDRN C=CC[C@@H](OC(=O)CC1CC1)c1ccccc1 ZINC000778737866 585740049 /nfs/dbraw/zinc/74/00/49/585740049.db2.gz FCVMWSTYADEXDG-CQSZACIVSA-N 0 0 230.307 3.647 20 30 BHEDRN C=CC[C@@H](OC(=O)[C@@H](C)CC)c1ccccc1 ZINC000778738757 585740082 /nfs/dbraw/zinc/74/00/82/585740082.db2.gz WSAXJBQASFEFPK-GXTWGEPZSA-N 0 0 232.323 3.893 20 30 BHEDRN C=CC[C@H](OC(=O)[C@@H](C)CC)c1ccccc1 ZINC000778738759 585740115 /nfs/dbraw/zinc/74/01/15/585740115.db2.gz WSAXJBQASFEFPK-JSGCOSHPSA-N 0 0 232.323 3.893 20 30 BHEDRN C=CC[C@H](OC(=O)[C@H](C)CC)c1ccccc1 ZINC000778738760 585740159 /nfs/dbraw/zinc/74/01/59/585740159.db2.gz WSAXJBQASFEFPK-OCCSQVGLSA-N 0 0 232.323 3.893 20 30 BHEDRN C=CC[C@@H](OC(=O)[C@H](C)CC)c1ccccc1 ZINC000778738762 585740126 /nfs/dbraw/zinc/74/01/26/585740126.db2.gz WSAXJBQASFEFPK-TZMCWYRMSA-N 0 0 232.323 3.893 20 30 BHEDRN C=CC[C@@H](OC(=O)/C=C\SC)c1ccccc1 ZINC000778738803 585740076 /nfs/dbraw/zinc/74/00/76/585740076.db2.gz XEOXPLHDFIUPQT-BSYHEUMXSA-N 0 0 248.347 3.724 20 30 BHEDRN C=CC[C@H](OC(=O)/C=C/SC)c1ccccc1 ZINC000778738804 585740024 /nfs/dbraw/zinc/74/00/24/585740024.db2.gz XEOXPLHDFIUPQT-NHAQELONSA-N 0 0 248.347 3.724 20 30 BHEDRN C=CC[C@@H](OC(=O)/C=C/SC)c1ccccc1 ZINC000778738805 585740099 /nfs/dbraw/zinc/74/00/99/585740099.db2.gz XEOXPLHDFIUPQT-OCHBPSSRSA-N 0 0 248.347 3.724 20 30 BHEDRN C=CC[C@H](OC(=O)/C=C\SC)c1ccccc1 ZINC000778738806 585740185 /nfs/dbraw/zinc/74/01/85/585740185.db2.gz XEOXPLHDFIUPQT-OEYXZAGESA-N 0 0 248.347 3.724 20 30 BHEDRN C=CC[C@H](OC(=O)C1=CCCC1)c1ccccc1 ZINC000778739597 585740100 /nfs/dbraw/zinc/74/01/00/585740100.db2.gz VFGHJRDEHCGWRM-HNNXBMFYSA-N 0 0 242.318 3.957 20 30 BHEDRN C=CC[C@@H](OC(=O)C1=CCCC1)c1ccccc1 ZINC000778739598 585740015 /nfs/dbraw/zinc/74/00/15/585740015.db2.gz VFGHJRDEHCGWRM-OAHLLOKOSA-N 0 0 242.318 3.957 20 30 BHEDRN C=CC[C@H](OC(=O)C=C(C)C)c1ccccc1 ZINC000778739882 585740117 /nfs/dbraw/zinc/74/01/17/585740117.db2.gz TXGVZNLAGAZUEN-AWEZNQCLSA-N 0 0 230.307 3.813 20 30 BHEDRN C=CC[C@@H](OC(=O)C=C(C)C)c1ccccc1 ZINC000778739884 585740150 /nfs/dbraw/zinc/74/01/50/585740150.db2.gz TXGVZNLAGAZUEN-CQSZACIVSA-N 0 0 230.307 3.813 20 30 BHEDRN CC#CCCCC(=O)O[C@H](C)[C@H](C)CCC ZINC000778743587 585740086 /nfs/dbraw/zinc/74/00/86/585740086.db2.gz DZMHVESCDMPNLF-CHWSQXEVSA-N 0 0 224.344 3.548 20 30 BHEDRN CC#CCCCC(=O)O[C@@H](C)[C@H](C)CCC ZINC000778743591 585740021 /nfs/dbraw/zinc/74/00/21/585740021.db2.gz DZMHVESCDMPNLF-OLZOCXBDSA-N 0 0 224.344 3.548 20 30 BHEDRN CC#CCCCC(=O)O[C@H](C)[C@@H](C)CCC ZINC000778743594 585740145 /nfs/dbraw/zinc/74/01/45/585740145.db2.gz DZMHVESCDMPNLF-QWHCGFSZSA-N 0 0 224.344 3.548 20 30 BHEDRN CC#CCCCC(=O)O[C@@H](C)[C@@H](C)CCC ZINC000778743596 585740192 /nfs/dbraw/zinc/74/01/92/585740192.db2.gz DZMHVESCDMPNLF-STQMWFEESA-N 0 0 224.344 3.548 20 30 BHEDRN CCC[C@@H](C)[C@H](C)OC(=O)c1ccc(C#N)cc1 ZINC000778745444 585740273 /nfs/dbraw/zinc/74/02/73/585740273.db2.gz PONRCHWHGCXKHC-NEPJUHHUSA-N 0 0 245.322 3.540 20 30 BHEDRN CCC[C@H](C)[C@@H](C)OC(=O)c1ccc(C#N)cc1 ZINC000778745445 585740360 /nfs/dbraw/zinc/74/03/60/585740360.db2.gz PONRCHWHGCXKHC-NWDGAFQWSA-N 0 0 245.322 3.540 20 30 BHEDRN CCC[C@H](C)[C@H](C)OC(=O)c1ccc(C#N)cc1 ZINC000778745446 585740315 /nfs/dbraw/zinc/74/03/15/585740315.db2.gz PONRCHWHGCXKHC-RYUDHWBXSA-N 0 0 245.322 3.540 20 30 BHEDRN CCC[C@@H](C)[C@@H](C)OC(=O)c1ccc(C#N)cc1 ZINC000778745447 585740170 /nfs/dbraw/zinc/74/01/70/585740170.db2.gz PONRCHWHGCXKHC-VXGBXAGGSA-N 0 0 245.322 3.540 20 30 BHEDRN C=CC[C@@H](OC(=O)[C@H]1C[C@@H]1C)c1ccccc1 ZINC000778745463 585740258 /nfs/dbraw/zinc/74/02/58/585740258.db2.gz OYROBMXHWLJJTJ-FPMFFAJLSA-N 0 0 230.307 3.503 20 30 BHEDRN CCC[C@@H](C)[C@H](C)OC(=O)c1cccc(C#N)c1 ZINC000778748601 585740606 /nfs/dbraw/zinc/74/06/06/585740606.db2.gz NVUSOGHRHXCVLL-NEPJUHHUSA-N 0 0 245.322 3.540 20 30 BHEDRN CCC[C@H](C)[C@@H](C)OC(=O)c1cccc(C#N)c1 ZINC000778748603 585740412 /nfs/dbraw/zinc/74/04/12/585740412.db2.gz NVUSOGHRHXCVLL-NWDGAFQWSA-N 0 0 245.322 3.540 20 30 BHEDRN CCC[C@H](C)[C@H](C)OC(=O)c1cccc(C#N)c1 ZINC000778748604 585740531 /nfs/dbraw/zinc/74/05/31/585740531.db2.gz NVUSOGHRHXCVLL-RYUDHWBXSA-N 0 0 245.322 3.540 20 30 BHEDRN CCC[C@@H](C)[C@@H](C)OC(=O)c1cccc(C#N)c1 ZINC000778748606 585740438 /nfs/dbraw/zinc/74/04/38/585740438.db2.gz NVUSOGHRHXCVLL-VXGBXAGGSA-N 0 0 245.322 3.540 20 30 BHEDRN C#CCCCCC(=O)O[C@H](C)[C@H](C)CCC ZINC000778749232 585740549 /nfs/dbraw/zinc/74/05/49/585740549.db2.gz TXEYEBUMPRHIRW-CHWSQXEVSA-N 0 0 224.344 3.548 20 30 BHEDRN C#CCCCCC(=O)O[C@@H](C)[C@H](C)CCC ZINC000778749233 585740585 /nfs/dbraw/zinc/74/05/85/585740585.db2.gz TXEYEBUMPRHIRW-OLZOCXBDSA-N 0 0 224.344 3.548 20 30 BHEDRN C#CCCCCC(=O)O[C@H](C)[C@@H](C)CCC ZINC000778749234 585740468 /nfs/dbraw/zinc/74/04/68/585740468.db2.gz TXEYEBUMPRHIRW-QWHCGFSZSA-N 0 0 224.344 3.548 20 30 BHEDRN C#CCCCCC(=O)O[C@@H](C)[C@@H](C)CCC ZINC000778749235 585740584 /nfs/dbraw/zinc/74/05/84/585740584.db2.gz TXEYEBUMPRHIRW-STQMWFEESA-N 0 0 224.344 3.548 20 30 BHEDRN C=CCCOC(=O)/C(C)=C/c1ccc(C)cc1 ZINC000778909830 585742417 /nfs/dbraw/zinc/74/24/17/585742417.db2.gz JMKKTLKFPKGDMO-ACCUITESSA-N 0 0 230.307 3.518 20 30 BHEDRN C=CCCOC(=O)/C(C)=C\c1ccc(C)cc1 ZINC000778909832 585742350 /nfs/dbraw/zinc/74/23/50/585742350.db2.gz JMKKTLKFPKGDMO-QBFSEMIESA-N 0 0 230.307 3.518 20 30 BHEDRN C=C(C)COC(=O)/C(C)=C\c1ccc(C)cc1 ZINC000778912953 585742339 /nfs/dbraw/zinc/74/23/39/585742339.db2.gz YAJNILVFPSBLEU-LCYFTJDESA-N 0 0 230.307 3.518 20 30 BHEDRN C=C(C)COC(=O)/C(C)=C/c1ccc(C)cc1 ZINC000778912954 585742280 /nfs/dbraw/zinc/74/22/80/585742280.db2.gz YAJNILVFPSBLEU-UKTHLTGXSA-N 0 0 230.307 3.518 20 30 BHEDRN C=C(C)CNC(=O)C[C@H](C)CCCCCC ZINC000779068683 585744530 /nfs/dbraw/zinc/74/45/30/585744530.db2.gz AUZZDGIYWIUXRT-CYBMUJFWSA-N 0 0 225.376 3.675 20 30 BHEDRN C=C(C)CNC(=O)C[C@@H](C)CCCCCC ZINC000779068684 585744601 /nfs/dbraw/zinc/74/46/01/585744601.db2.gz AUZZDGIYWIUXRT-ZDUSSCGKSA-N 0 0 225.376 3.675 20 30 BHEDRN C=C(C)CNC(=O)[C@H](CC)CCCCCC ZINC000779126191 585744972 /nfs/dbraw/zinc/74/49/72/585744972.db2.gz SYBCKKXIUXTSEY-CYBMUJFWSA-N 0 0 225.376 3.675 20 30 BHEDRN C=C(C)CNC(=O)[C@@H](CC)CCCCCC ZINC000779126192 585744971 /nfs/dbraw/zinc/74/49/71/585744971.db2.gz SYBCKKXIUXTSEY-ZDUSSCGKSA-N 0 0 225.376 3.675 20 30 BHEDRN CCCC(C)(C)CC(=O)Oc1ccc(C#N)cc1 ZINC000779220821 585747479 /nfs/dbraw/zinc/74/74/79/585747479.db2.gz IODUDXDBBPWVEA-UHFFFAOYSA-N 0 0 245.322 3.680 20 30 BHEDRN CC[C@@H](C)c1ccc(C(=O)OC(C)(C)C#N)cc1 ZINC000779223430 585747352 /nfs/dbraw/zinc/74/73/52/585747352.db2.gz QWWYLCDCZKNVQC-LLVKDONJSA-N 0 0 245.322 3.659 20 30 BHEDRN CC[C@H](C)c1ccc(C(=O)OC(C)(C)C#N)cc1 ZINC000779223438 585747573 /nfs/dbraw/zinc/74/75/73/585747573.db2.gz QWWYLCDCZKNVQC-NSHDSACASA-N 0 0 245.322 3.659 20 30 BHEDRN CCCCCCCCCC(=O)OC(C)(C)C#N ZINC000779223447 585747361 /nfs/dbraw/zinc/74/73/61/585747361.db2.gz RGSHSDCLRZTKLZ-UHFFFAOYSA-N 0 0 239.359 3.972 20 30 BHEDRN CCCCCC[C@@H](C)CC(=O)OC(C)(C)C#N ZINC000779226239 585747664 /nfs/dbraw/zinc/74/76/64/585747664.db2.gz YDHWKEPCGZCMNC-GFCCVEGCSA-N 0 0 239.359 3.828 20 30 BHEDRN CCCCCC[C@H](C)CC(=O)OC(C)(C)C#N ZINC000779226244 585747810 /nfs/dbraw/zinc/74/78/10/585747810.db2.gz YDHWKEPCGZCMNC-LBPRGKRZSA-N 0 0 239.359 3.828 20 30 BHEDRN CCCCCCCC(=O)NOC1CCCCC1 ZINC000779322300 585751137 /nfs/dbraw/zinc/75/11/37/585751137.db2.gz SHHHGHSLYWZVNV-UHFFFAOYSA-N 0 0 241.375 3.727 20 30 BHEDRN C=C(Cl)CSc1ccc([N+](=O)[O-])cc1F ZINC000779361935 585752514 /nfs/dbraw/zinc/75/25/14/585752514.db2.gz XOKGLICBHCAEQM-UHFFFAOYSA-N 0 0 247.678 3.579 20 30 BHEDRN CC#CCCNC(=O)[C@@H](CC)CCCCCC ZINC000779376502 585752726 /nfs/dbraw/zinc/75/27/26/585752726.db2.gz OTTQBNKWAXUGMB-AWEZNQCLSA-N 0 0 237.387 3.513 20 30 BHEDRN CC#CCCNC(=O)[C@H](CC)CCCCCC ZINC000779376503 585752747 /nfs/dbraw/zinc/75/27/47/585752747.db2.gz OTTQBNKWAXUGMB-CQSZACIVSA-N 0 0 237.387 3.513 20 30 BHEDRN O=C(/C=C/c1ccsc1)c1ccnc(Cl)c1 ZINC000779459590 585755302 /nfs/dbraw/zinc/75/53/02/585755302.db2.gz CTABWTJSHIFJGP-OWOJBTEDSA-N 0 0 249.722 3.693 20 30 BHEDRN O=C(/C=C\c1ccsc1)c1ccnc(Cl)c1 ZINC000779459592 585755367 /nfs/dbraw/zinc/75/53/67/585755367.db2.gz CTABWTJSHIFJGP-UPHRSURJSA-N 0 0 249.722 3.693 20 30 BHEDRN O=C(/C=C\c1ccccc1)c1ccnc(Cl)c1 ZINC000779460090 585755279 /nfs/dbraw/zinc/75/52/79/585755279.db2.gz KAUKVDUELNSXTR-SREVYHEPSA-N 0 0 243.693 3.631 20 30 BHEDRN O=C(/C=C/c1ccccc1)c1ccnc(Cl)c1 ZINC000779460093 585755331 /nfs/dbraw/zinc/75/53/31/585755331.db2.gz KAUKVDUELNSXTR-VOTSOKGWSA-N 0 0 243.693 3.631 20 30 BHEDRN O=C(/C=C\c1cccs1)c1ccnc(Cl)c1 ZINC000779462485 585755567 /nfs/dbraw/zinc/75/55/67/585755567.db2.gz NFWGHQOEDSASDT-ARJAWSKDSA-N 0 0 249.722 3.693 20 30 BHEDRN O=C(/C=C/c1cccs1)c1ccnc(Cl)c1 ZINC000779462487 585755581 /nfs/dbraw/zinc/75/55/81/585755581.db2.gz NFWGHQOEDSASDT-ONEGZZNKSA-N 0 0 249.722 3.693 20 30 BHEDRN C=CCN(C)C(=O)NCCCCCCCCC ZINC000779519553 585755999 /nfs/dbraw/zinc/75/59/99/585755999.db2.gz NGZJLLHQCBMVFI-UHFFFAOYSA-N 0 0 240.391 3.564 20 30 BHEDRN Cc1cc(CNc2cc(C#N)ccc2C)c(C)o1 ZINC000779590027 585756176 /nfs/dbraw/zinc/75/61/76/585756176.db2.gz NCVQYNVDTOUALR-UHFFFAOYSA-N 0 0 240.306 3.689 20 30 BHEDRN Cc1cc(CNc2cccc(C#N)c2C)c(C)o1 ZINC000779599417 585756693 /nfs/dbraw/zinc/75/66/93/585756693.db2.gz SMKSPAKHCGBWAX-UHFFFAOYSA-N 0 0 240.306 3.689 20 30 BHEDRN CC(C)Oc1ccc(NC2CCCC2)cc1C#N ZINC000779603443 642385409 /nfs/dbraw/zinc/38/54/09/642385409.db2.gz AAZSBEJDTZTBML-UHFFFAOYSA-N 0 0 244.338 3.700 20 30 BHEDRN C#CCCCCCC(=O)Nc1cccc(Cl)c1 ZINC000779702825 585759117 /nfs/dbraw/zinc/75/91/17/585759117.db2.gz AKINIHZDVOCHTJ-UHFFFAOYSA-N 0 0 249.741 3.862 20 30 BHEDRN C#CCCCCCC(=O)Nc1ccc(C)cc1 ZINC000779703495 585759022 /nfs/dbraw/zinc/75/90/22/585759022.db2.gz IMOOPYWEIKAXDO-UHFFFAOYSA-N 0 0 229.323 3.517 20 30 BHEDRN C#CCCCCCC(=O)Nc1ccc(C)cc1C ZINC000779704220 585759168 /nfs/dbraw/zinc/75/91/68/585759168.db2.gz PJJBWBVWVJTHFJ-UHFFFAOYSA-N 0 0 243.350 3.826 20 30 BHEDRN C#CCCCCCC(=O)Nc1ccc(C)c(C)c1 ZINC000779704439 585759062 /nfs/dbraw/zinc/75/90/62/585759062.db2.gz PRQNVDMOWAUALK-UHFFFAOYSA-N 0 0 243.350 3.826 20 30 BHEDRN C#CCCCCCC(=O)Nc1cccc(C)c1 ZINC000779704586 585759037 /nfs/dbraw/zinc/75/90/37/585759037.db2.gz SCITTYUUHQWZNJ-UHFFFAOYSA-N 0 0 229.323 3.517 20 30 BHEDRN C#CCCCCCC(=O)Nc1ccc(Cl)cc1 ZINC000779704587 585759207 /nfs/dbraw/zinc/75/92/07/585759207.db2.gz SCQURRLFLAPPDN-UHFFFAOYSA-N 0 0 249.741 3.862 20 30 BHEDRN C#CCCCCCC(=O)Nc1cccc(C)c1C ZINC000779704604 585759201 /nfs/dbraw/zinc/75/92/01/585759201.db2.gz SUNUHBOBVDIVAX-UHFFFAOYSA-N 0 0 243.350 3.826 20 30 BHEDRN C#CCCCCCC(=O)Nc1ccccc1C ZINC000779704621 585759149 /nfs/dbraw/zinc/75/91/49/585759149.db2.gz TVXBIIYGRHIYHU-UHFFFAOYSA-N 0 0 229.323 3.517 20 30 BHEDRN C#CCCCCCC(=O)Nc1ccccc1Cl ZINC000779704675 585759055 /nfs/dbraw/zinc/75/90/55/585759055.db2.gz VQLJJFXNJWSMOD-UHFFFAOYSA-N 0 0 249.741 3.862 20 30 BHEDRN C#CCCCCCC(=O)Oc1c(C)cccc1C ZINC000779705660 585759384 /nfs/dbraw/zinc/75/93/84/585759384.db2.gz GWTQPHIICSWYER-UHFFFAOYSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCCCCCC(=O)Nc1cc(C)ccc1C ZINC000779707576 585759379 /nfs/dbraw/zinc/75/93/79/585759379.db2.gz OLWDPFFWQJLRHS-UHFFFAOYSA-N 0 0 243.350 3.826 20 30 BHEDRN C#CCCCCCC(=O)Nc1cc(F)ccc1C ZINC000779714026 585759562 /nfs/dbraw/zinc/75/95/62/585759562.db2.gz AIUIKCPJUPTBDD-UHFFFAOYSA-N 0 0 247.313 3.656 20 30 BHEDRN C#CCCCCCC(=O)Nc1cccc(CC)c1 ZINC000779714216 585759467 /nfs/dbraw/zinc/75/94/67/585759467.db2.gz ALDFGFNWLZZMKG-UHFFFAOYSA-N 0 0 243.350 3.771 20 30 BHEDRN C#CCCCCCC(=O)Oc1cc(C)cc(C)c1 ZINC000779714235 585759577 /nfs/dbraw/zinc/75/95/77/585759577.db2.gz CVJMVXYYCLGWCM-UHFFFAOYSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCCCCCC(=O)NC1CCCCCCC1 ZINC000779714316 585759448 /nfs/dbraw/zinc/75/94/48/585759448.db2.gz DIQILXJNTNUHRI-UHFFFAOYSA-N 0 0 249.398 3.799 20 30 BHEDRN C#CCCCCCC(=O)Nc1ccc(CC)cc1 ZINC000779715051 585759499 /nfs/dbraw/zinc/75/94/99/585759499.db2.gz IPMUFKYSYBGNLE-UHFFFAOYSA-N 0 0 243.350 3.771 20 30 BHEDRN C#CCCCCCC(=O)Oc1cc(C)ccc1C ZINC000779715091 585759493 /nfs/dbraw/zinc/75/94/93/585759493.db2.gz JYXYHUYGARSNNA-UHFFFAOYSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCCCCCC(=O)NCCC1=CCCCC1 ZINC000779715177 585759461 /nfs/dbraw/zinc/75/94/61/585759461.db2.gz HYMYTIBEJQZAAB-UHFFFAOYSA-N 0 0 247.382 3.577 20 30 BHEDRN C#CCCCCCC(=O)Oc1ccc(CC)cc1 ZINC000779715703 585759561 /nfs/dbraw/zinc/75/95/61/585759561.db2.gz NXCFXXDUNMWVGG-UHFFFAOYSA-N 0 0 244.334 3.738 20 30 BHEDRN C#CCCCCCC(=O)Nc1ccc(C)cc1F ZINC000779715774 585759234 /nfs/dbraw/zinc/75/92/34/585759234.db2.gz PBMCFLOLGLXHSK-UHFFFAOYSA-N 0 0 247.313 3.656 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H](C)CCC(C)C ZINC000779715812 585759574 /nfs/dbraw/zinc/75/95/74/585759574.db2.gz OUTURIMESFOQDP-AWEZNQCLSA-N 0 0 237.387 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@H](C)CCC(C)C ZINC000779715813 585759677 /nfs/dbraw/zinc/75/96/77/585759677.db2.gz OUTURIMESFOQDP-CQSZACIVSA-N 0 0 237.387 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H](C)CCCCC ZINC000779715920 585759689 /nfs/dbraw/zinc/75/96/89/585759689.db2.gz QXDKBHSTZWPJRH-AWEZNQCLSA-N 0 0 237.387 3.655 20 30 BHEDRN C#CCCCCCC(=O)N[C@H](C)CCCCC ZINC000779715921 585759681 /nfs/dbraw/zinc/75/96/81/585759681.db2.gz QXDKBHSTZWPJRH-CQSZACIVSA-N 0 0 237.387 3.655 20 30 BHEDRN C#CCCCCCC(=O)Oc1ccc(C)c(C)c1 ZINC000779716180 585759733 /nfs/dbraw/zinc/75/97/33/585759733.db2.gz UKQVAOMYXOKCAD-UHFFFAOYSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCCCCCC(=O)Nc1cc(C)cc(C)c1 ZINC000779716214 585759683 /nfs/dbraw/zinc/75/96/83/585759683.db2.gz VHFJUXGMKVMKBA-UHFFFAOYSA-N 0 0 243.350 3.826 20 30 BHEDRN C#CCCCCCC(=O)Nc1ccc(C)c(F)c1 ZINC000779716530 585759759 /nfs/dbraw/zinc/75/97/59/585759759.db2.gz ZLQZWVZQUCNNNJ-UHFFFAOYSA-N 0 0 247.313 3.656 20 30 BHEDRN C#CCCCCCC(=O)Nc1cc(C)ccc1F ZINC000779718156 585759715 /nfs/dbraw/zinc/75/97/15/585759715.db2.gz BOSZGSTWGGPRHZ-UHFFFAOYSA-N 0 0 247.313 3.656 20 30 BHEDRN C#CCCCCCC(=O)Nc1c(C)cccc1C ZINC000779719730 585759697 /nfs/dbraw/zinc/75/96/97/585759697.db2.gz NAFJLRIBVYIKGI-UHFFFAOYSA-N 0 0 243.350 3.826 20 30 BHEDRN C#CCCCCCC(=O)Nc1ccccc1CC ZINC000779724278 585759910 /nfs/dbraw/zinc/75/99/10/585759910.db2.gz AFPHJDFFPUHDRG-UHFFFAOYSA-N 0 0 243.350 3.771 20 30 BHEDRN C#CCCCCCC(=O)Oc1cccc(C)c1C ZINC000779727665 585759791 /nfs/dbraw/zinc/75/97/91/585759791.db2.gz MHRJFCMQUJZZIE-UHFFFAOYSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCCCCCC(=O)Nc1ccc(F)cc1C ZINC000779730236 585760174 /nfs/dbraw/zinc/76/01/74/585760174.db2.gz LPSQWOMWUMWCIQ-UHFFFAOYSA-N 0 0 247.313 3.656 20 30 BHEDRN N#Cc1cccc(NC[C@@H]2CCc3ccccc32)c1 ZINC000779734962 585760035 /nfs/dbraw/zinc/76/00/35/585760035.db2.gz CZTSFNBMNWJYSM-HNNXBMFYSA-N 0 0 248.329 3.700 20 30 BHEDRN N#Cc1cccc(NC[C@H]2CCc3ccccc32)c1 ZINC000779734963 585760091 /nfs/dbraw/zinc/76/00/91/585760091.db2.gz CZTSFNBMNWJYSM-OAHLLOKOSA-N 0 0 248.329 3.700 20 30 BHEDRN C#CCCCCCC(=O)Oc1ccc(C)cc1C ZINC000779738105 585760225 /nfs/dbraw/zinc/76/02/25/585760225.db2.gz HIJGMMDTMBHGCA-UHFFFAOYSA-N 0 0 244.334 3.793 20 30 BHEDRN C#CCCCCCc1nc(C2CCCCC2)no1 ZINC000779739770 585760554 /nfs/dbraw/zinc/76/05/54/585760554.db2.gz CLFSTLZGSYWNRT-UHFFFAOYSA-N 0 0 246.354 3.853 20 30 BHEDRN C#CCCCCCc1nc(-c2cccs2)no1 ZINC000779739836 585760489 /nfs/dbraw/zinc/76/04/89/585760489.db2.gz HNIHSZRRODCGRH-UHFFFAOYSA-N 0 0 246.335 3.534 20 30 BHEDRN C#CCCCCCc1nc(-c2ccsc2)no1 ZINC000779741563 585760449 /nfs/dbraw/zinc/76/04/49/585760449.db2.gz MRMKBTUBTWGBSI-UHFFFAOYSA-N 0 0 246.335 3.534 20 30 BHEDRN C#CCCCCCC(=O)N(CC)c1ccccc1 ZINC000779742744 585760595 /nfs/dbraw/zinc/76/05/95/585760595.db2.gz QZFLIMAMDFYTLF-UHFFFAOYSA-N 0 0 243.350 3.623 20 30 BHEDRN C#CCCCCCC(=O)O[C@@H](C)c1ccccc1 ZINC000779744229 585760757 /nfs/dbraw/zinc/76/07/57/585760757.db2.gz XWTBGUSUVHUPGG-AWEZNQCLSA-N 0 0 244.334 3.875 20 30 BHEDRN C#CCCCCCC(=O)O[C@H](C)c1ccccc1 ZINC000779744230 585760806 /nfs/dbraw/zinc/76/08/06/585760806.db2.gz XWTBGUSUVHUPGG-CQSZACIVSA-N 0 0 244.334 3.875 20 30 BHEDRN C#CCCCCCC(=O)N(C)C1CCC(C)CC1 ZINC000779745344 585760671 /nfs/dbraw/zinc/76/06/71/585760671.db2.gz KVUPGCPRTRWQMF-UHFFFAOYSA-N 0 0 249.398 3.607 20 30 BHEDRN CC[C@@H]1C[C@@H](CN=Nc2cccc(C)c2)CCO1 ZINC000779753545 585761165 /nfs/dbraw/zinc/76/11/65/585761165.db2.gz QRKOWHSDNGXRTR-DZGCQCFKSA-N 0 0 246.354 3.598 20 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CC[C@H]1C[C@@H](CN=Nc2ccc(C)cc2)CCO1 ZINC000779755511 631357127 /nfs/dbraw/zinc/35/71/27/631357127.db2.gz YNYMWVXYHMUJOP-ZFWWWQNUSA-N 0 0 246.354 3.598 20 30 BHEDRN CC(C)C[C@@H](C)CC(C)N=Nc1ccccn1 ZINC000779759156 585761526 /nfs/dbraw/zinc/76/15/26/585761526.db2.gz HYJHXYZHQCEFJU-GFCCVEGCSA-N 0 0 233.359 3.942 20 30 BHEDRN CC(C)C[C@H](C)CC(C)N=Nc1ccccn1 ZINC000779759157 585761344 /nfs/dbraw/zinc/76/13/44/585761344.db2.gz HYJHXYZHQCEFJU-LBPRGKRZSA-N 0 0 233.359 3.942 20 30 BHEDRN CC1(CN=Nc2ccccn2)CCCCCC1 ZINC000779760415 585761364 /nfs/dbraw/zinc/76/13/64/585761364.db2.gz WQVVURIQQGMOSC-UHFFFAOYSA-N 0 0 231.343 3.840 20 30 BHEDRN Cc1cc(C)cc(N=NC(C)[C@H]2CCCOC2)c1 ZINC000779763597 585761372 /nfs/dbraw/zinc/76/13/72/585761372.db2.gz RUKJRCVWWAGOSG-AWEZNQCLSA-N 0 0 246.354 3.518 20 30 BHEDRN Cc1cc(C)cc(N=NC(C)[C@@H]2CCCOC2)c1 ZINC000779763599 585761377 /nfs/dbraw/zinc/76/13/77/585761377.db2.gz RUKJRCVWWAGOSG-CQSZACIVSA-N 0 0 246.354 3.518 20 30 BHEDRN Cc1ccc(C)c(N=NC(C)[C@H]2CCCOC2)c1 ZINC000779763894 585761356 /nfs/dbraw/zinc/76/13/56/585761356.db2.gz WLVRTHOQNATUKT-AWEZNQCLSA-N 0 0 246.354 3.518 20 30 BHEDRN Cc1ccc(C)c(N=NC(C)[C@@H]2CCCOC2)c1 ZINC000779763895 585761384 /nfs/dbraw/zinc/76/13/84/585761384.db2.gz WLVRTHOQNATUKT-CQSZACIVSA-N 0 0 246.354 3.518 20 30 BHEDRN C#CCCCCCC(=O)N(C)C1CCCCCC1 ZINC000779763914 585761367 /nfs/dbraw/zinc/76/13/67/585761367.db2.gz WROLMAQIGJGSCU-UHFFFAOYSA-N 0 0 249.398 3.751 20 30 BHEDRN CCC(CC)NN=C1CCCC[C@H]1CC ZINC000779770667 585761946 /nfs/dbraw/zinc/76/19/46/585761946.db2.gz AEDMBSIKQKZNEA-LLVKDONJSA-N 0 0 210.365 3.721 20 30 BHEDRN CCC(CC)NN=C1CCCC[C@@H]1CC ZINC000779770671 585761924 /nfs/dbraw/zinc/76/19/24/585761924.db2.gz AEDMBSIKQKZNEA-NSHDSACASA-N 0 0 210.365 3.721 20 30 BHEDRN CCCCNN=C(C)C[C@H](C)CC(C)C ZINC000779772236 585761801 /nfs/dbraw/zinc/76/18/01/585761801.db2.gz GPSPPJBEIYTFNU-GFCCVEGCSA-N 0 0 212.381 3.824 20 30 BHEDRN CCCCNN=C(C)C[C@@H](C)CC(C)C ZINC000779772237 585761955 /nfs/dbraw/zinc/76/19/55/585761955.db2.gz GPSPPJBEIYTFNU-LBPRGKRZSA-N 0 0 212.381 3.824 20 30 BHEDRN CCCNN=C1CC(C)(C)CC(C)(C)C1 ZINC000779772454 585762117 /nfs/dbraw/zinc/76/21/17/585762117.db2.gz IAHBKLRLERDISY-UHFFFAOYSA-N 0 0 210.365 3.578 20 30 BHEDRN C#CCCCCCC(=O)N(CC)C1CCCCC1 ZINC000779772859 585762159 /nfs/dbraw/zinc/76/21/59/585762159.db2.gz LAOLZVVPBPPWQP-UHFFFAOYSA-N 0 0 249.398 3.751 20 30 BHEDRN CC[C@@H]1CCCCC1N=Nc1ccc(C)cn1 ZINC000779773713 585762038 /nfs/dbraw/zinc/76/20/38/585762038.db2.gz MVRMKODMXRCKSI-GFCCVEGCSA-N 0 0 231.343 3.758 20 30 BHEDRN CC[C@H]1CCCCC1N=Nc1ccc(C)cn1 ZINC000779773714 585762141 /nfs/dbraw/zinc/76/21/41/585762141.db2.gz MVRMKODMXRCKSI-LBPRGKRZSA-N 0 0 231.343 3.758 20 30 BHEDRN Cc1cc(C=NNC2CCCC2)ccc1Cl ZINC000779774102 585762143 /nfs/dbraw/zinc/76/21/43/585762143.db2.gz RIICJWAVBNGJPY-UHFFFAOYSA-N 0 0 236.746 3.515 20 30 BHEDRN CC[C@@H]1CCCCC1N=Nc1cc(C)ccn1 ZINC000779774214 585762100 /nfs/dbraw/zinc/76/21/00/585762100.db2.gz CAONHEZHDSSCSV-GFCCVEGCSA-N 0 0 231.343 3.758 20 30 BHEDRN CC[C@H]1CCCCC1N=Nc1cc(C)ccn1 ZINC000779774215 585762238 /nfs/dbraw/zinc/76/22/38/585762238.db2.gz CAONHEZHDSSCSV-LBPRGKRZSA-N 0 0 231.343 3.758 20 30 BHEDRN CC(C[C@H](C)CC(C)C)=NNC1CCCC1 ZINC000779774490 585762185 /nfs/dbraw/zinc/76/21/85/585762185.db2.gz XGFQGFWOWBLYPH-GFCCVEGCSA-N 0 0 224.392 3.967 20 30 BHEDRN CC(C)C[C@H](C)CC(C)N=NC1CCCC1 ZINC000779774491 585762092 /nfs/dbraw/zinc/76/20/92/585762092.db2.gz XGFQGFWOWBLYPH-LBPRGKRZSA-N 0 0 224.392 3.967 20 30 BHEDRN Cc1cc(N=NC(C)C[C@H](C)CC(C)C)ncn1 ZINC000779775456 585762245 /nfs/dbraw/zinc/76/22/45/585762245.db2.gz DIAMUMOUWCTUSH-LLVKDONJSA-N 0 0 248.374 3.645 20 30 BHEDRN Cc1cc(N=NC(C)C[C@@H](C)CC(C)C)ncn1 ZINC000779775457 585762055 /nfs/dbraw/zinc/76/20/55/585762055.db2.gz DIAMUMOUWCTUSH-NSHDSACASA-N 0 0 248.374 3.645 20 30 BHEDRN Cc1ccc(N=NC(C)C[C@H](C)CC(C)C)nn1 ZINC000779775559 585762033 /nfs/dbraw/zinc/76/20/33/585762033.db2.gz DNFPHKSBMJSRLW-LLVKDONJSA-N 0 0 248.374 3.645 20 30 BHEDRN Cc1ccc(N=NC(C)C[C@@H](C)CC(C)C)nn1 ZINC000779775560 585762243 /nfs/dbraw/zinc/76/22/43/585762243.db2.gz DNFPHKSBMJSRLW-NSHDSACASA-N 0 0 248.374 3.645 20 30 BHEDRN CC[C@H]1CCCCC1N=Nc1ccc(F)cn1 ZINC000779775927 585762059 /nfs/dbraw/zinc/76/20/59/585762059.db2.gz KHUQUCKQKFBMMN-JTQLQIEISA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@@H]1CCCCC1N=Nc1ccc(F)cn1 ZINC000779775928 585762042 /nfs/dbraw/zinc/76/20/42/585762042.db2.gz KHUQUCKQKFBMMN-SNVBAGLBSA-N 0 0 235.306 3.589 20 30 BHEDRN C#CCCCSCCCc1ccccc1OC ZINC000779776227 585762043 /nfs/dbraw/zinc/76/20/43/585762043.db2.gz FYNSWWJQVFSSLQ-UHFFFAOYSA-N 0 0 248.391 3.774 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000779776246 585762107 /nfs/dbraw/zinc/76/21/07/585762107.db2.gz NQLHABRLNZWDCU-QLFBSQMISA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000779776247 585762157 /nfs/dbraw/zinc/76/21/57/585762157.db2.gz NQLHABRLNZWDCU-RBSFLKMASA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000779776248 585762233 /nfs/dbraw/zinc/76/22/33/585762233.db2.gz NQLHABRLNZWDCU-RRFJBIMHSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000779776249 585762203 /nfs/dbraw/zinc/76/22/03/585762203.db2.gz NQLHABRLNZWDCU-SOUVJXGZSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCSCc1c(F)cccc1F ZINC000779777051 585762287 /nfs/dbraw/zinc/76/22/87/585762287.db2.gz NADXYDCNAVBCAX-UHFFFAOYSA-N 0 0 226.291 3.611 20 30 BHEDRN CC1(CN=Nc2ccc(F)cn2)CCCCCC1 ZINC000779777162 585762438 /nfs/dbraw/zinc/76/24/38/585762438.db2.gz RZUHESSCSBJQCQ-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN Cc1ccc(N=NCC2(C)CCCCCC2)nn1 ZINC000779777608 585762417 /nfs/dbraw/zinc/76/24/17/585762417.db2.gz TZIYCSIHJGBUOF-UHFFFAOYSA-N 0 0 246.358 3.543 20 30 BHEDRN CC1(C=NOCC(F)(F)F)CCCCCC1 ZINC000779782435 585762777 /nfs/dbraw/zinc/76/27/77/585762777.db2.gz JICNONYRADQNKI-UHFFFAOYSA-N 0 0 237.265 3.912 20 30 BHEDRN CC1(C=NO[C@@H]2CCCCO2)CCCCCC1 ZINC000779783697 585763134 /nfs/dbraw/zinc/76/31/34/585763134.db2.gz NLJBUIYHNMUNRY-CYBMUJFWSA-N 0 0 239.359 3.876 20 30 BHEDRN CC1(C=NO[C@H]2CCCCO2)CCCCCC1 ZINC000779783700 585763113 /nfs/dbraw/zinc/76/31/13/585763113.db2.gz NLJBUIYHNMUNRY-ZDUSSCGKSA-N 0 0 239.359 3.876 20 30 BHEDRN CC[C@@H]1CCCCC1=NOCC(F)(F)F ZINC000779783993 585763006 /nfs/dbraw/zinc/76/30/06/585763006.db2.gz OJZKSCWAMDGJGH-MRVPVSSYSA-N 0 0 223.238 3.522 20 30 BHEDRN CC[C@H]1CCCCC1=NOCC(F)(F)F ZINC000779784005 585763163 /nfs/dbraw/zinc/76/31/63/585763163.db2.gz OJZKSCWAMDGJGH-QMMMGPOBSA-N 0 0 223.238 3.522 20 30 BHEDRN CC[C@@H]1CCCCC1=NOC1CCCC1 ZINC000779784290 585763171 /nfs/dbraw/zinc/76/31/71/585763171.db2.gz KRERMRGCYJJNBM-LLVKDONJSA-N 0 0 209.333 3.902 20 30 BHEDRN CC[C@H]1CCCCC1=NOC1CCCC1 ZINC000779784294 585763089 /nfs/dbraw/zinc/76/30/89/585763089.db2.gz KRERMRGCYJJNBM-NSHDSACASA-N 0 0 209.333 3.902 20 30 BHEDRN CC(C[C@@H](C)CC(C)C)=NO[C@@H]1CCCCO1 ZINC000779784531 585763164 /nfs/dbraw/zinc/76/31/64/585763164.db2.gz QDWFJEHDJWWWOS-GXTWGEPZSA-N 0 0 241.375 3.978 20 30 BHEDRN CC(C[C@@H](C)CC(C)C)=NO[C@H]1CCCCO1 ZINC000779784536 585763042 /nfs/dbraw/zinc/76/30/42/585763042.db2.gz QDWFJEHDJWWWOS-JSGCOSHPSA-N 0 0 241.375 3.978 20 30 BHEDRN CC(C[C@H](C)CC(C)C)=NO[C@H]1CCCCO1 ZINC000779784539 585763025 /nfs/dbraw/zinc/76/30/25/585763025.db2.gz QDWFJEHDJWWWOS-OCCSQVGLSA-N 0 0 241.375 3.978 20 30 BHEDRN CC(C[C@H](C)CC(C)C)=NO[C@@H]1CCCCO1 ZINC000779784541 585763144 /nfs/dbraw/zinc/76/31/44/585763144.db2.gz QDWFJEHDJWWWOS-TZMCWYRMSA-N 0 0 241.375 3.978 20 30 BHEDRN CC1(C=NOCc2cccnc2)CCCCCC1 ZINC000779785105 585763124 /nfs/dbraw/zinc/76/31/24/585763124.db2.gz UQIZFLDPCGXDGM-UHFFFAOYSA-N 0 0 246.354 3.945 20 30 BHEDRN CC[C@@H]1CCCCC1=NOCc1cccnc1 ZINC000779786561 585763398 /nfs/dbraw/zinc/76/33/98/585763398.db2.gz ZTAJYHSMZURSDD-CYBMUJFWSA-N 0 0 232.327 3.554 20 30 BHEDRN CC[C@H]1CCCCC1=NOCc1cccnc1 ZINC000779786563 582720600 /nfs/dbraw/zinc/72/06/00/582720600.db2.gz ZTAJYHSMZURSDD-ZDUSSCGKSA-N 0 0 232.327 3.554 20 30 BHEDRN CC(C)CN=NC(C)C[C@H](C)CC(C)C ZINC000779787674 585763263 /nfs/dbraw/zinc/76/32/63/585763263.db2.gz VDJDNNMHVCJBHO-GFCCVEGCSA-N 0 0 212.381 3.680 20 30 BHEDRN CC(C)CN=NC(C)C[C@@H](C)CC(C)C ZINC000779787675 585763201 /nfs/dbraw/zinc/76/32/01/585763201.db2.gz VDJDNNMHVCJBHO-LBPRGKRZSA-N 0 0 212.381 3.680 20 30 BHEDRN C#CCCCCCC(=O)NCCCC1CCCC1 ZINC000779791960 585763632 /nfs/dbraw/zinc/76/36/32/585763632.db2.gz GYCUDRHLUBKVLJ-UHFFFAOYSA-N 0 0 249.398 3.657 20 30 BHEDRN C#CCCCCCC(=O)N(C(C)C)C1CCCC1 ZINC000779793836 585764167 /nfs/dbraw/zinc/76/41/67/585764167.db2.gz AXQZTOCKDSTKFM-UHFFFAOYSA-N 0 0 249.398 3.750 20 30 BHEDRN C#CCCCCCC(=O)N(C1CC1)C1CCCC1 ZINC000779801663 585764874 /nfs/dbraw/zinc/76/48/74/585764874.db2.gz VTBIEORFOZOCHX-UHFFFAOYSA-N 0 0 247.382 3.504 20 30 BHEDRN C#CCCCCCC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000779804364 644716983 /nfs/dbraw/zinc/71/69/83/644716983.db2.gz DKWZYIQZZMZCFG-CABCVRRESA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000779804365 644717563 /nfs/dbraw/zinc/71/75/63/644717563.db2.gz DKWZYIQZZMZCFG-GJZGRUSLSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000779804476 644717014 /nfs/dbraw/zinc/71/70/14/644717014.db2.gz DKWZYIQZZMZCFG-HUUCEWRRSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000779804479 644718215 /nfs/dbraw/zinc/71/82/15/644718215.db2.gz DKWZYIQZZMZCFG-LSDHHAIUSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N(CCC(C)C)C1CC1 ZINC000779805359 644718143 /nfs/dbraw/zinc/71/81/43/644718143.db2.gz NONFHCQGLXPCKJ-UHFFFAOYSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N[C@H]1[C@H](C)CCC[C@@H]1C ZINC000779806998 585765200 /nfs/dbraw/zinc/76/52/00/585765200.db2.gz LIYIPTOMYBEFOD-FOLVSLTJSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)NC1[C@@H](C)CCC[C@@H]1C ZINC000779807000 585765416 /nfs/dbraw/zinc/76/54/16/585765416.db2.gz LIYIPTOMYBEFOD-KBPBESRZSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)NC1[C@H](C)CCC[C@H]1C ZINC000779807001 585765133 /nfs/dbraw/zinc/76/51/33/585765133.db2.gz LIYIPTOMYBEFOD-ZIAGYGMSSA-N 0 0 249.398 3.511 20 30 BHEDRN CCCCCC1=C(N=Nc2ccncc2)CCC1 ZINC000779808521 585765990 /nfs/dbraw/zinc/76/59/90/585765990.db2.gz LDBHZUBUHXCOEW-UHFFFAOYSA-N 0 0 243.354 3.572 20 30 BHEDRN CC(C)=CCCC(C)C=CN=Nc1ccncc1 ZINC000779808625 585765517 /nfs/dbraw/zinc/76/55/17/585765517.db2.gz NHSOMAKCPAQDJU-FWGZIRTHSA-N 0 0 243.354 3.594 20 30 BHEDRN CC(C)=CCCC(C)C=CN=Nc1ccncc1 ZINC000779808626 585765941 /nfs/dbraw/zinc/76/59/41/585765941.db2.gz NHSOMAKCPAQDJU-WFRFBJDTSA-N 0 0 243.354 3.594 20 30 BHEDRN CCCC(N=Nc1ccncc1)C1CCCCC1 ZINC000779809287 585765920 /nfs/dbraw/zinc/76/59/20/585765920.db2.gz VZAYHTUKTPDJGE-UHFFFAOYSA-N 0 0 245.370 3.652 20 30 BHEDRN CC(CCC1CCCCC1)N=Nc1ccncc1 ZINC000779809609 585765862 /nfs/dbraw/zinc/76/58/62/585765862.db2.gz LIPWSDZJNVVZRW-UHFFFAOYSA-N 0 0 245.370 3.652 20 30 BHEDRN C#CCCCCCC(=O)N(C)[C@H]1CCC[C@@H](C)C1 ZINC000779809766 711557891 /nfs/dbraw/zinc/55/78/91/711557891.db2.gz PQNGMQRDYQGZTE-CABCVRRESA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N(C)[C@H]1CCC[C@H](C)C1 ZINC000779809768 711557910 /nfs/dbraw/zinc/55/79/10/711557910.db2.gz PQNGMQRDYQGZTE-GJZGRUSLSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000779809769 711557810 /nfs/dbraw/zinc/55/78/10/711557810.db2.gz PQNGMQRDYQGZTE-HUUCEWRRSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000779809770 711558129 /nfs/dbraw/zinc/55/81/29/711558129.db2.gz PQNGMQRDYQGZTE-LSDHHAIUSA-N 0 0 249.398 3.607 20 30 BHEDRN CC(C)=CCC[C@H](C)CCN=Nc1ccncc1 ZINC000779809912 585766254 /nfs/dbraw/zinc/76/62/54/585766254.db2.gz UANJKGOPJBRVEU-AWEZNQCLSA-N 0 0 245.370 3.674 20 30 BHEDRN CC(C)=CCC[C@@H](C)CCN=Nc1ccncc1 ZINC000779809914 585766195 /nfs/dbraw/zinc/76/61/95/585766195.db2.gz UANJKGOPJBRVEU-CQSZACIVSA-N 0 0 245.370 3.674 20 30 BHEDRN CCCC[C@@H](CC)CCN=Nc1ccncc1 ZINC000779810658 585766161 /nfs/dbraw/zinc/76/61/61/585766161.db2.gz GCKQJCZPCXPZCG-CYBMUJFWSA-N 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CC1(C)CC(N=Nc2ccncc2)CC(C)(C)C1 ZINC000779811791 585766409 /nfs/dbraw/zinc/76/64/09/585766409.db2.gz JNWLELWGQMHZGS-UHFFFAOYSA-N 0 0 245.370 3.508 20 30 BHEDRN CC(C)C(N=Nc1ccncc1)C1CCCCC1 ZINC000779811972 585766422 /nfs/dbraw/zinc/76/64/22/585766422.db2.gz NWCWMTRPGJPMKV-UHFFFAOYSA-N 0 0 245.370 3.508 20 30 BHEDRN CC(C)CC[C@H]1CCCC1N=Nc1ccncc1 ZINC000779812014 582739945 /nfs/dbraw/zinc/73/99/45/582739945.db2.gz WFSCZEJKWJRFPY-CYBMUJFWSA-N 0 0 245.370 3.508 20 30 BHEDRN CC(C)CC[C@@H]1CCCC1N=Nc1ccncc1 ZINC000779812015 582739735 /nfs/dbraw/zinc/73/97/35/582739735.db2.gz WFSCZEJKWJRFPY-ZDUSSCGKSA-N 0 0 245.370 3.508 20 30 BHEDRN CC(CC1CCC1)N=Nc1ccc2n[nH]cc2c1 ZINC000779815495 585766805 /nfs/dbraw/zinc/76/68/05/585766805.db2.gz AVFDCXDREGXWEJ-UHFFFAOYSA-N 0 0 242.326 3.541 20 30 BHEDRN CC(N=Nc1ccc2n[nH]cc2c1)C1CCCC1 ZINC000779815911 585767005 /nfs/dbraw/zinc/76/70/05/585767005.db2.gz GHEPPRMYLXBWSR-UHFFFAOYSA-N 0 0 242.326 3.541 20 30 BHEDRN CCC[C@@H](C)C(CC)N=Nc1cccc(OC)n1 ZINC000779816519 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C#CCCCCCC(=O)N[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000779917834 585769812 /nfs/dbraw/zinc/76/98/12/585769812.db2.gz OSDWBVXZQLKDRO-FICVDOATSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H](C)C1CCCCC1 ZINC000779917879 585769747 /nfs/dbraw/zinc/76/97/47/585769747.db2.gz LMOBXFVUSUKHRG-AWEZNQCLSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCCCC(=O)N[C@H](C)C1CCCCC1 ZINC000779917881 585769746 /nfs/dbraw/zinc/76/97/46/585769746.db2.gz LMOBXFVUSUKHRG-CQSZACIVSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCCCC(=O)N1CCC[C@H]1C(C)(C)C ZINC000779917892 585769388 /nfs/dbraw/zinc/76/93/88/585769388.db2.gz TVWGDLDDUFTTQV-AWEZNQCLSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N1CCC[C@@H]1C(C)(C)C ZINC000779917894 585769296 /nfs/dbraw/zinc/76/92/96/585769296.db2.gz TVWGDLDDUFTTQV-CQSZACIVSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)NC1C[C@@H](C)C[C@H](C)C1 ZINC000779918035 585769760 /nfs/dbraw/zinc/76/97/60/585769760.db2.gz OSDWBVXZQLKDRO-KBPBESRZSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)NC1C[C@H](C)C[C@@H](C)C1 ZINC000779918036 585769741 /nfs/dbraw/zinc/76/97/41/585769741.db2.gz OSDWBVXZQLKDRO-ZIAGYGMSSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@H]1CCC[C@@H](CC)C1 ZINC000779918084 585769762 /nfs/dbraw/zinc/76/97/62/585769762.db2.gz QUFHGBCXEVANER-CABCVRRESA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCCCC(=O)N[C@H]1CCC[C@H](CC)C1 ZINC000779918085 585769776 /nfs/dbraw/zinc/76/97/76/585769776.db2.gz QUFHGBCXEVANER-GJZGRUSLSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H]1CCC[C@@H](CC)C1 ZINC000779918086 585769749 /nfs/dbraw/zinc/76/97/49/585769749.db2.gz QUFHGBCXEVANER-HUUCEWRRSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H]1CCC[C@H](CC)C1 ZINC000779918087 585769700 /nfs/dbraw/zinc/76/97/00/585769700.db2.gz QUFHGBCXEVANER-LSDHHAIUSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCCCC(=O)N1CCCC(C)(C)CC1 ZINC000779921223 585769898 /nfs/dbraw/zinc/76/98/98/585769898.db2.gz RBHTYMYYYIHKBN-UHFFFAOYSA-N 0 0 249.398 3.609 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H](C)C[C@@H](C)CC ZINC000779921892 585769990 /nfs/dbraw/zinc/76/99/90/585769990.db2.gz DUGIFFFXRRWXHQ-KBPBESRZSA-N 0 0 237.387 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H](C)C[C@H](C)CC ZINC000779921896 585769932 /nfs/dbraw/zinc/76/99/32/585769932.db2.gz DUGIFFFXRRWXHQ-KGLIPLIRSA-N 0 0 237.387 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@H](C)C[C@@H](C)CC ZINC000779921899 585769941 /nfs/dbraw/zinc/76/99/41/585769941.db2.gz DUGIFFFXRRWXHQ-UONOGXRCSA-N 0 0 237.387 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@H](C)C[C@H](C)CC ZINC000779921901 585769929 /nfs/dbraw/zinc/76/99/29/585769929.db2.gz DUGIFFFXRRWXHQ-ZIAGYGMSSA-N 0 0 237.387 3.511 20 30 BHEDRN C#CCCCCCC(=O)NCC1(CC(C)C)CC1 ZINC000779928197 585770154 /nfs/dbraw/zinc/77/01/54/585770154.db2.gz CXRMEBXGCNQBQG-UHFFFAOYSA-N 0 0 249.398 3.513 20 30 BHEDRN C#CCCCCCC(=O)N1CCC(CC)(CC)C1 ZINC000779930277 585770197 /nfs/dbraw/zinc/77/01/97/585770197.db2.gz OAFOKKRUJSPSLI-UHFFFAOYSA-N 0 0 249.398 3.609 20 30 BHEDRN C#CCCCCCC(=O)Nc1cccc(F)c1C ZINC000779931660 585770167 /nfs/dbraw/zinc/77/01/67/585770167.db2.gz RRYAXAHEFKUDJF-UHFFFAOYSA-N 0 0 247.313 3.656 20 30 BHEDRN C#CCCCCCC(=O)N[C@H]1CCCCC1(C)C ZINC000779933077 585770131 /nfs/dbraw/zinc/77/01/31/585770131.db2.gz CSRDVXBNTXVYSI-AWEZNQCLSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H]1CCCCC1(C)C ZINC000779933078 585770225 /nfs/dbraw/zinc/77/02/25/585770225.db2.gz CSRDVXBNTXVYSI-CQSZACIVSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCCCC(=O)N1CCC[C@H](CCC)C1 ZINC000779934472 585770138 /nfs/dbraw/zinc/77/01/38/585770138.db2.gz RYIZPAOBVRRGAC-HNNXBMFYSA-N 0 0 249.398 3.609 20 30 BHEDRN C#CCCCCCC(=O)N1CCC[C@@H](CCC)C1 ZINC000779934473 585770126 /nfs/dbraw/zinc/77/01/26/585770126.db2.gz RYIZPAOBVRRGAC-OAHLLOKOSA-N 0 0 249.398 3.609 20 30 BHEDRN C#CCCCCCC(=O)NCC1(C)CCCCC1 ZINC000779936356 585770175 /nfs/dbraw/zinc/77/01/75/585770175.db2.gz YJUXOBSBHPVAPW-UHFFFAOYSA-N 0 0 249.398 3.657 20 30 BHEDRN C#CCCCCCC(=O)NCC1(CCC)CCC1 ZINC000779936516 585770176 /nfs/dbraw/zinc/77/01/76/585770176.db2.gz ZUUJUDKPBCSNDK-UHFFFAOYSA-N 0 0 249.398 3.657 20 30 BHEDRN C#CCCCCCC(=O)NCC1(CC)CCCC1 ZINC000779938572 585770502 /nfs/dbraw/zinc/77/05/02/585770502.db2.gz YKLXTLNGBKRKHC-UHFFFAOYSA-N 0 0 249.398 3.657 20 30 BHEDRN C#CCCCCCC(=O)Nc1cc(C)cc(F)c1 ZINC000779939175 585770414 /nfs/dbraw/zinc/77/04/14/585770414.db2.gz UPWKYJBWCOMWEW-UHFFFAOYSA-N 0 0 247.313 3.656 20 30 BHEDRN C#CCCCCCC(=O)Nc1cscc1C ZINC000779943540 585770535 /nfs/dbraw/zinc/77/05/35/585770535.db2.gz MEKOVNFDHNMYBL-UHFFFAOYSA-N 0 0 235.352 3.579 20 30 BHEDRN C#CCCCCCC(=O)Nc1cccc(C)c1F ZINC000779951954 644719810 /nfs/dbraw/zinc/71/98/10/644719810.db2.gz VXVNIYVEXSPSDF-UHFFFAOYSA-N 0 0 247.313 3.656 20 30 BHEDRN C#CCCCCCC(=O)N1CCCCC[C@@H]1CC ZINC000779957801 585770645 /nfs/dbraw/zinc/77/06/45/585770645.db2.gz JSVVAEDYIJTKOZ-HNNXBMFYSA-N 0 0 249.398 3.751 20 30 BHEDRN C#CCCCCCC(=O)N1CCCCC[C@H]1CC ZINC000779957802 585770609 /nfs/dbraw/zinc/77/06/09/585770609.db2.gz JSVVAEDYIJTKOZ-OAHLLOKOSA-N 0 0 249.398 3.751 20 30 BHEDRN C#CCCCCCC(=O)N1C[C@H](C)CCC[C@@H]1C ZINC000779958320 585770665 /nfs/dbraw/zinc/77/06/65/585770665.db2.gz APLWQIBPLSOHBI-CABCVRRESA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N1C[C@@H](C)CCC[C@@H]1C ZINC000779958322 585770586 /nfs/dbraw/zinc/77/05/86/585770586.db2.gz APLWQIBPLSOHBI-GJZGRUSLSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N1C[C@H](C)CCC[C@H]1C ZINC000779958324 585770734 /nfs/dbraw/zinc/77/07/34/585770734.db2.gz APLWQIBPLSOHBI-HUUCEWRRSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N1C[C@@H](C)CCC[C@H]1C ZINC000779958326 585770642 /nfs/dbraw/zinc/77/06/42/585770642.db2.gz APLWQIBPLSOHBI-LSDHHAIUSA-N 0 0 249.398 3.607 20 30 BHEDRN C=CCCCCCN(C)C(=O)/C(C)=C(\C)CC ZINC000779959394 585770621 /nfs/dbraw/zinc/77/06/21/585770621.db2.gz VBHVXAPDMCLILM-BUHFOSPRSA-N 0 0 237.387 3.938 20 30 BHEDRN C=CCCCCCN(C)C(=O)/C(C)=C(/C)CC ZINC000779959397 585770587 /nfs/dbraw/zinc/77/05/87/585770587.db2.gz VBHVXAPDMCLILM-YPKPFQOOSA-N 0 0 237.387 3.938 20 30 BHEDRN C#CCCCCCC(=O)NC(CC)(CC)CC ZINC000779959871 585770748 /nfs/dbraw/zinc/77/07/48/585770748.db2.gz LVXRFZUNAKQZFC-UHFFFAOYSA-N 0 0 237.387 3.655 20 30 BHEDRN C#CCCCCCC(=O)N1C2CCCC1CCC2 ZINC000779968012 585770831 /nfs/dbraw/zinc/77/08/31/585770831.db2.gz UAIDQFKSENXJLU-UHFFFAOYSA-N 0 0 247.382 3.504 20 30 BHEDRN C#CCCCCCC(=O)N(CCC)C(C)(C)C ZINC000779977334 585771304 /nfs/dbraw/zinc/77/13/04/585771304.db2.gz MEIHDTXXMONTFW-UHFFFAOYSA-N 0 0 237.387 3.607 20 30 BHEDRN C#CCCCCCC(=O)Oc1ccc(F)c(C)c1 ZINC000779987497 585771445 /nfs/dbraw/zinc/77/14/45/585771445.db2.gz ZSGFBTWIFQNJRG-UHFFFAOYSA-N 0 0 248.297 3.623 20 30 BHEDRN CC/C(C)=C(/C)C(=O)Nc1cccc(C#N)c1C ZINC000779988806 644721064 /nfs/dbraw/zinc/72/10/64/644721064.db2.gz JNMREMOLPVZCRZ-KHPPLWFESA-N 0 0 242.322 3.552 20 30 BHEDRN CC/C(C)=C(\C)C(=O)Nc1cccc(C#N)c1C ZINC000779988807 644720726 /nfs/dbraw/zinc/72/07/26/644720726.db2.gz JNMREMOLPVZCRZ-ZHACJKMWSA-N 0 0 242.322 3.552 20 30 BHEDRN C#CCCCCCC(=O)Oc1ccc(F)cc1C ZINC000780007870 644722285 /nfs/dbraw/zinc/72/22/85/644722285.db2.gz QHBHPQBFRJPXFF-UHFFFAOYSA-N 0 0 248.297 3.623 20 30 BHEDRN C#CCCCCCC(=O)Nc1c(C)cccc1F ZINC000780030539 585771783 /nfs/dbraw/zinc/77/17/83/585771783.db2.gz BJLKQTJVHKZLAL-UHFFFAOYSA-N 0 0 247.313 3.656 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C(C)=C(/C)CC ZINC000780034885 585771956 /nfs/dbraw/zinc/77/19/56/585771956.db2.gz ZQHXKDNYDJYKCM-KLDSGFLGSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C(C)=C(/C)CC ZINC000780034886 585771797 /nfs/dbraw/zinc/77/17/97/585771797.db2.gz ZQHXKDNYDJYKCM-NPRUJURCSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC[C@H](C)NC(=O)/C(C)=C(\C)CC ZINC000780034887 585771856 /nfs/dbraw/zinc/77/18/56/585771856.db2.gz ZQHXKDNYDJYKCM-OWRWYXLESA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC[C@@H](C)NC(=O)/C(C)=C(\C)CC ZINC000780034888 585771907 /nfs/dbraw/zinc/77/19/07/585771907.db2.gz ZQHXKDNYDJYKCM-RVROTUBLSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCC(CC=C)C(=O)Oc1cccc(C)c1F ZINC000780079876 585772474 /nfs/dbraw/zinc/77/24/74/585772474.db2.gz MNIPXMYDFIGLQR-UHFFFAOYSA-N 0 0 248.297 3.808 20 30 BHEDRN C#CCCCCCC(=O)Oc1cccc(C)c1F ZINC000780081333 585772369 /nfs/dbraw/zinc/77/23/69/585772369.db2.gz CJZNZVXHWCOMSY-UHFFFAOYSA-N 0 0 248.297 3.623 20 30 BHEDRN COCC(N=Nc1ccc(C)cc1)C1CCCC1 ZINC000780186261 585773340 /nfs/dbraw/zinc/77/33/40/585773340.db2.gz FZCXYHKZSQHMGV-UHFFFAOYSA-N 0 0 246.354 3.600 20 30 BHEDRN COCC(N=Nc1cccc(C)c1)C1CCCC1 ZINC000780186999 585773446 /nfs/dbraw/zinc/77/34/46/585773446.db2.gz SBJCDQAKXVDACW-UHFFFAOYSA-N 0 0 246.354 3.600 20 30 BHEDRN CC(Cc1ccccc1F)N=Nc1ccccc1 ZINC000780187388 585773367 /nfs/dbraw/zinc/77/33/67/585773367.db2.gz UBYBVFZZYCWCSQ-UHFFFAOYSA-N 0 0 242.297 3.856 20 30 BHEDRN CC/C(C)=C(\C)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000780216765 644726344 /nfs/dbraw/zinc/72/63/44/644726344.db2.gz SKJUZDNAIPBTCC-GCZGRYASSA-N 0 0 249.354 3.748 20 30 BHEDRN CC/C(C)=C(\C)C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000780216767 644727491 /nfs/dbraw/zinc/72/74/91/644727491.db2.gz SKJUZDNAIPBTCC-GETOMWPZSA-N 0 0 249.354 3.748 20 30 BHEDRN CC/C(C)=C(/C)C(=O)O[C@@H](C#N)C1CCCCC1 ZINC000780216768 644726441 /nfs/dbraw/zinc/72/64/41/644726441.db2.gz SKJUZDNAIPBTCC-NYHXXUGCSA-N 0 0 249.354 3.748 20 30 BHEDRN CC/C(C)=C(/C)C(=O)O[C@H](C#N)C1CCCCC1 ZINC000780216770 644727140 /nfs/dbraw/zinc/72/71/40/644727140.db2.gz SKJUZDNAIPBTCC-XMXAVACDSA-N 0 0 249.354 3.748 20 30 BHEDRN CC(C)CNN=C1CC[C@](C)(c2ccccc2)C1 ZINC000780234105 585774134 /nfs/dbraw/zinc/77/41/34/585774134.db2.gz AIRQAOPVKHHIDH-INIZCTEOSA-N 0 0 244.382 3.730 20 30 BHEDRN CC(C)CNN=C1CC[C@@](C)(c2ccccc2)C1 ZINC000780234106 585774072 /nfs/dbraw/zinc/77/40/72/585774072.db2.gz AIRQAOPVKHHIDH-MRXNPFEDSA-N 0 0 244.382 3.730 20 30 BHEDRN COCCC1(C=NOCC(C)C)CCCCC1 ZINC000780235219 585774178 /nfs/dbraw/zinc/77/41/78/585774178.db2.gz GIIRGAWKJJRSLV-UHFFFAOYSA-N 0 0 241.375 3.632 20 30 BHEDRN CC(Cc1ccccc1F)=NOC1CCCC1 ZINC000780237552 585774198 /nfs/dbraw/zinc/77/41/98/585774198.db2.gz SMBFWLKVJZSOHO-UHFFFAOYSA-N 0 0 235.302 3.703 20 30 BHEDRN COCC(=NOC1CCCCC1)C1CCCC1 ZINC000780241957 585774514 /nfs/dbraw/zinc/77/45/14/585774514.db2.gz XTMRPCHQLUFXDF-UHFFFAOYSA-N 0 0 239.359 3.528 20 30 BHEDRN C#CCCCCCC(=O)OCc1ccccc1C ZINC000780254485 582822123 /nfs/dbraw/zinc/82/21/23/582822123.db2.gz AAMQAMRBDYSGKR-UHFFFAOYSA-N 0 0 244.334 3.622 20 30 BHEDRN C#CCCCCCC(=O)OCc1cccc(C)c1 ZINC000780255341 585775128 /nfs/dbraw/zinc/77/51/28/585775128.db2.gz QOWXMCJVJKOVSD-UHFFFAOYSA-N 0 0 244.334 3.622 20 30 BHEDRN C#CCCCCCC(=O)OCCC(C)(C)C ZINC000780257451 585775388 /nfs/dbraw/zinc/77/53/88/585775388.db2.gz BDSOALYQNRDYGL-UHFFFAOYSA-N 0 0 224.344 3.550 20 30 BHEDRN C#CCCCCCC(=O)OCc1ccc(C)cc1 ZINC000780263858 585775985 /nfs/dbraw/zinc/77/59/85/585775985.db2.gz JAIHKHRRDZMTTL-UHFFFAOYSA-N 0 0 244.334 3.622 20 30 BHEDRN CCC(C[C@H](C)CC)N=Nc1ccc(OC)cn1 ZINC000780267292 585776125 /nfs/dbraw/zinc/77/61/25/585776125.db2.gz JJZLKSWKJCACJM-LLVKDONJSA-N 0 0 249.358 3.704 20 30 BHEDRN CCC(C[C@@H](C)CC)N=Nc1ccc(OC)cn1 ZINC000780267294 585776185 /nfs/dbraw/zinc/77/61/85/585776185.db2.gz JJZLKSWKJCACJM-NSHDSACASA-N 0 0 249.358 3.704 20 30 BHEDRN CCC[C@@H](C)C(CC)N=Nc1ccc(OC)cn1 ZINC000780268467 585776424 /nfs/dbraw/zinc/77/64/24/585776424.db2.gz JSKBJUJXNXOWBD-LLVKDONJSA-N 0 0 249.358 3.704 20 30 BHEDRN CCC[C@H](C)C(CC)N=Nc1ccc(OC)cn1 ZINC000780268470 585776228 /nfs/dbraw/zinc/77/62/28/585776228.db2.gz JSKBJUJXNXOWBD-NSHDSACASA-N 0 0 249.358 3.704 20 30 BHEDRN COc1ccc(N=NC(C)CCC=C(C)C)nc1 ZINC000780269059 585776366 /nfs/dbraw/zinc/77/63/66/585776366.db2.gz PFXZMZCHNBNJET-UHFFFAOYSA-N 0 0 247.342 3.624 20 30 BHEDRN COc1ccc(N=NC2CCCCCCC2)nc1 ZINC000780269486 585776357 /nfs/dbraw/zinc/77/63/57/585776357.db2.gz RJEPLRMYYYASKL-UHFFFAOYSA-N 0 0 247.342 3.602 20 30 BHEDRN COc1ccc(N=NC(C)CCCC(C)C)nc1 ZINC000780275425 585776316 /nfs/dbraw/zinc/77/63/16/585776316.db2.gz WLTKVMMGLKQSHW-UHFFFAOYSA-N 0 0 249.358 3.704 20 30 BHEDRN CCCCCCC(C)N=Nc1ccc(OC)cn1 ZINC000780275992 585776478 /nfs/dbraw/zinc/77/64/78/585776478.db2.gz IOVKKFZEKOMTPD-UHFFFAOYSA-N 0 0 249.358 3.848 20 30 BHEDRN C#CCCCCCC(=O)Oc1ccccc1CC ZINC000780304208 585777533 /nfs/dbraw/zinc/77/75/33/585777533.db2.gz PSJKYBWXPXPBHS-UHFFFAOYSA-N 0 0 244.334 3.738 20 30 BHEDRN C#CCCCCCC(=O)Oc1cccc(CC)c1 ZINC000780304444 585777689 /nfs/dbraw/zinc/77/76/89/585777689.db2.gz TUKMRSYRTGAZNB-UHFFFAOYSA-N 0 0 244.334 3.738 20 30 BHEDRN C#CCCCCCC(=O)O[C@H](C)CC(C)C ZINC000780328414 585777827 /nfs/dbraw/zinc/77/78/27/585777827.db2.gz PFGZZMGOVMUMJS-CYBMUJFWSA-N 0 0 224.344 3.548 20 30 BHEDRN C#CCCCCCC(=O)O[C@@H](C)CC(C)C ZINC000780328415 585777817 /nfs/dbraw/zinc/77/78/17/585777817.db2.gz PFGZZMGOVMUMJS-ZDUSSCGKSA-N 0 0 224.344 3.548 20 30 BHEDRN C#CCCCCCC(=O)N(C)CC1CCCCC1 ZINC000780341848 585778244 /nfs/dbraw/zinc/77/82/44/585778244.db2.gz QYMXZSWPWKUVQI-UHFFFAOYSA-N 0 0 249.398 3.609 20 30 BHEDRN C#CCCCCCC(=O)OCC(C)(C)CC ZINC000780400422 644729995 /nfs/dbraw/zinc/72/99/95/644729995.db2.gz VDXKYEYSXDEASK-UHFFFAOYSA-N 0 0 224.344 3.550 20 30 BHEDRN C#CCCCCCC(=O)O[C@H](CC)CCC ZINC000780443555 585779080 /nfs/dbraw/zinc/77/90/80/585779080.db2.gz MZFRIKMPTXAGNJ-CYBMUJFWSA-N 0 0 224.344 3.692 20 30 BHEDRN C#CCCCCCC(=O)O[C@@H](CC)CCC ZINC000780443556 585779147 /nfs/dbraw/zinc/77/91/47/585779147.db2.gz MZFRIKMPTXAGNJ-ZDUSSCGKSA-N 0 0 224.344 3.692 20 30 BHEDRN C#CCCCCCC(=O)O[C@H](C)CCCC ZINC000780445083 585779196 /nfs/dbraw/zinc/77/91/96/585779196.db2.gz ZDTGNFYNKPHBDO-CYBMUJFWSA-N 0 0 224.344 3.692 20 30 BHEDRN C#CCCCCCC(=O)O[C@@H](C)CCCC ZINC000780445085 585779193 /nfs/dbraw/zinc/77/91/93/585779193.db2.gz ZDTGNFYNKPHBDO-ZDUSSCGKSA-N 0 0 224.344 3.692 20 30 BHEDRN C#CCCCCCC(=O)N1CCC[C@H]1CC(C)C ZINC000780451958 644731074 /nfs/dbraw/zinc/73/10/74/644731074.db2.gz XDFGMFWTBQMVOD-HNNXBMFYSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N1CCC[C@@H]1CC(C)C ZINC000780451960 644731093 /nfs/dbraw/zinc/73/10/93/644731093.db2.gz XDFGMFWTBQMVOD-OAHLLOKOSA-N 0 0 249.398 3.607 20 30 BHEDRN C#CCCCCCC(=O)N1CCC(C)(CC)CC1 ZINC000780458647 585779239 /nfs/dbraw/zinc/77/92/39/585779239.db2.gz VSSPZZCHULFBND-UHFFFAOYSA-N 0 0 249.398 3.609 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@H](C)[C@H](C)CC ZINC000780471015 582829764 /nfs/dbraw/zinc/82/97/64/582829764.db2.gz AABKQRXMINYRBO-GRYCIOLGSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@H](C)[C@@H](C)CC ZINC000780471017 582829755 /nfs/dbraw/zinc/82/97/55/582829755.db2.gz AABKQRXMINYRBO-SDDRHHMPSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@@H](C)[C@@H](C)CC ZINC000780471019 582829896 /nfs/dbraw/zinc/82/98/96/582829896.db2.gz AABKQRXMINYRBO-SRVKXCTJSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@@H](C)[C@H](C)CC ZINC000780471021 582829658 /nfs/dbraw/zinc/82/96/58/582829658.db2.gz AABKQRXMINYRBO-WOPDTQHZSA-N 0 0 212.333 3.567 20 30 BHEDRN CCC/C(C)=C/C(=O)OCC1(C#N)CCCCC1 ZINC000780483972 585779397 /nfs/dbraw/zinc/77/93/97/585779397.db2.gz RCAOIPJLIWKSCB-JLHYYAGUSA-N 0 0 249.354 3.750 20 30 BHEDRN CCC/C(C)=C\C(=O)OCC1(C#N)CCCCC1 ZINC000780483975 585779347 /nfs/dbraw/zinc/77/93/47/585779347.db2.gz RCAOIPJLIWKSCB-RAXLEYEMSA-N 0 0 249.354 3.750 20 30 BHEDRN N#CC1(COC(=O)C=C2CCCC2)CCCCC1 ZINC000780485503 644731011 /nfs/dbraw/zinc/73/10/11/644731011.db2.gz LTMOCBNTFVSSKD-UHFFFAOYSA-N 0 0 247.338 3.504 20 30 BHEDRN CC1(C(=O)OCC2(C#N)CCCCC2)CCCC1 ZINC000780487830 585779499 /nfs/dbraw/zinc/77/94/99/585779499.db2.gz GDDBAEPWPPRSMJ-UHFFFAOYSA-N 0 0 249.354 3.584 20 30 BHEDRN CC(C)(C)/C=C/C(=O)OCC1(C#N)CCCCC1 ZINC000780489319 585779568 /nfs/dbraw/zinc/77/95/68/585779568.db2.gz YWIPJGKFAYATTK-JXMROGBWSA-N 0 0 249.354 3.606 20 30 BHEDRN CC(C)(C)/C=C\C(=O)OCC1(C#N)CCCCC1 ZINC000780489324 585779463 /nfs/dbraw/zinc/77/94/63/585779463.db2.gz YWIPJGKFAYATTK-YFHOEESVSA-N 0 0 249.354 3.606 20 30 BHEDRN CCC(=CC(=O)OCC1(C#N)CCCCC1)CC ZINC000780494882 585779545 /nfs/dbraw/zinc/77/95/45/585779545.db2.gz MCNLDDYORNBIIL-UHFFFAOYSA-N 0 0 249.354 3.750 20 30 BHEDRN C/C(=C\C(=O)OCC1(C#N)CCCC1)C(C)(C)C ZINC000780534970 585779945 /nfs/dbraw/zinc/77/99/45/585779945.db2.gz YUKFJBIXGHRGQI-FMIVXFBMSA-N 0 0 249.354 3.606 20 30 BHEDRN C/C(=C/C(=O)OCC1(C#N)CCCC1)C(C)(C)C ZINC000780534971 585779929 /nfs/dbraw/zinc/77/99/29/585779929.db2.gz YUKFJBIXGHRGQI-XFXZXTDPSA-N 0 0 249.354 3.606 20 30 BHEDRN C#CCCCCCC(=O)NCCCC(C)(C)C ZINC000780541097 585780197 /nfs/dbraw/zinc/78/01/97/585780197.db2.gz WNSQEAFOANEKEI-UHFFFAOYSA-N 0 0 237.387 3.513 20 30 BHEDRN C=C[C@@H](CC(=O)O[C@@H]1C=CCC1)c1ccccc1 ZINC000780556413 582834313 /nfs/dbraw/zinc/83/43/13/582834313.db2.gz XSXMVIJUPVLHJP-DZGCQCFKSA-N 0 0 242.318 3.608 20 30 BHEDRN C=C[C@H](CC(=O)O[C@H]1C=CCC1)c1ccccc1 ZINC000780556417 582834269 /nfs/dbraw/zinc/83/42/69/582834269.db2.gz XSXMVIJUPVLHJP-HIFRSBDPSA-N 0 0 242.318 3.608 20 30 BHEDRN C=C[C@H](CC(=O)O[C@@H]1C=CCC1)c1ccccc1 ZINC000780556420 582834976 /nfs/dbraw/zinc/83/49/76/582834976.db2.gz XSXMVIJUPVLHJP-UKRRQHHQSA-N 0 0 242.318 3.608 20 30 BHEDRN C=C[C@@H](CC(=O)O[C@H]1C=CCC1)c1ccccc1 ZINC000780556426 582834938 /nfs/dbraw/zinc/83/49/38/582834938.db2.gz XSXMVIJUPVLHJP-ZFWWWQNUSA-N 0 0 242.318 3.608 20 30 BHEDRN C#CCCCCCC(=O)N1CCC[C@](C)(CC)C1 ZINC000780591585 585782252 /nfs/dbraw/zinc/78/22/52/585782252.db2.gz VEIQVZJHAMDRBM-INIZCTEOSA-N 0 0 249.398 3.609 20 30 BHEDRN C#CCCCCCC(=O)N1CCC[C@@](C)(CC)C1 ZINC000780591586 585782154 /nfs/dbraw/zinc/78/21/54/585782154.db2.gz VEIQVZJHAMDRBM-MRXNPFEDSA-N 0 0 249.398 3.609 20 30 BHEDRN C=C(Cl)CNC(=O)[C@](C)(CC)CCCCC ZINC000780762023 585784518 /nfs/dbraw/zinc/78/45/18/585784518.db2.gz PZJUBCROLLFBEM-CYBMUJFWSA-N 0 0 245.794 3.852 20 30 BHEDRN C=C(Cl)CNC(=O)[C@@](C)(CC)CCCCC ZINC000780762032 585784476 /nfs/dbraw/zinc/78/44/76/585784476.db2.gz PZJUBCROLLFBEM-ZDUSSCGKSA-N 0 0 245.794 3.852 20 30 BHEDRN Cc1ccc2c(c1)CCN2CC(C)(C)CCC#N ZINC000780768633 585784531 /nfs/dbraw/zinc/78/45/31/585784531.db2.gz BQLONSZTLCIKKD-UHFFFAOYSA-N 0 0 242.366 3.688 20 30 BHEDRN C=C[C@H](C)NC(=O)[C@](C)(CC)CCCCC ZINC000780888079 585785902 /nfs/dbraw/zinc/78/59/02/585785902.db2.gz JJQVFWZVUBUMSR-GXTWGEPZSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C[C@H](C)NC(=O)[C@@](C)(CC)CCCCC ZINC000780888081 585785792 /nfs/dbraw/zinc/78/57/92/585785792.db2.gz JJQVFWZVUBUMSR-JSGCOSHPSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C[C@@H](C)NC(=O)[C@@](C)(CC)CCCCC ZINC000780888083 585785755 /nfs/dbraw/zinc/78/57/55/585785755.db2.gz JJQVFWZVUBUMSR-OCCSQVGLSA-N 0 0 225.376 3.674 20 30 BHEDRN C=C[C@@H](C)NC(=O)[C@](C)(CC)CCCCC ZINC000780888084 585785732 /nfs/dbraw/zinc/78/57/32/585785732.db2.gz JJQVFWZVUBUMSR-TZMCWYRMSA-N 0 0 225.376 3.674 20 30 BHEDRN CCCCCCCCNC(=O)c1coc(C)c1 ZINC000780964360 585787426 /nfs/dbraw/zinc/78/74/26/585787426.db2.gz PRHBMYAHBFQLRW-UHFFFAOYSA-N 0 0 237.343 3.678 20 30 BHEDRN CC#CCCNC(=O)[C@@](C)(CC)CCCCC ZINC000781005282 585788469 /nfs/dbraw/zinc/78/84/69/585788469.db2.gz ZHSBTYDMZKRFTC-HNNXBMFYSA-N 0 0 237.387 3.513 20 30 BHEDRN CC#CCCNC(=O)[C@](C)(CC)CCCCC ZINC000781005283 585788403 /nfs/dbraw/zinc/78/84/03/585788403.db2.gz ZHSBTYDMZKRFTC-OAHLLOKOSA-N 0 0 237.387 3.513 20 30 BHEDRN C=C(C)CNC(=O)[C@@](C)(CC)CCCCC ZINC000781037874 585789127 /nfs/dbraw/zinc/78/91/27/585789127.db2.gz KCDCUKXRYZBSRJ-AWEZNQCLSA-N 0 0 225.376 3.675 20 30 BHEDRN C=C(C)CNC(=O)[C@](C)(CC)CCCCC ZINC000781037875 585789115 /nfs/dbraw/zinc/78/91/15/585789115.db2.gz KCDCUKXRYZBSRJ-CQSZACIVSA-N 0 0 225.376 3.675 20 30 BHEDRN C=CCN(C)C(=O)[C@@](C)(CC)CCCCC ZINC000781038301 585789016 /nfs/dbraw/zinc/78/90/16/585789016.db2.gz MDTUGFQGAWUZNX-AWEZNQCLSA-N 0 0 225.376 3.627 20 30 BHEDRN C=CCN(C)C(=O)[C@](C)(CC)CCCCC ZINC000781038302 585789018 /nfs/dbraw/zinc/78/90/18/585789018.db2.gz MDTUGFQGAWUZNX-CQSZACIVSA-N 0 0 225.376 3.627 20 30 BHEDRN CCSCCCN=Nc1ccccc1Cl ZINC000781113910 585790538 /nfs/dbraw/zinc/79/05/38/585790538.db2.gz IWEJOYMYWVSQIO-UHFFFAOYSA-N 0 0 242.775 3.881 20 30 BHEDRN CCSCCCN=Nc1ccc(F)cc1F ZINC000781115219 585790472 /nfs/dbraw/zinc/79/04/72/585790472.db2.gz JSGKGUBYHPPKOM-UHFFFAOYSA-N 0 0 244.310 3.506 20 30 BHEDRN CCSCCCN=Nc1ccc(Cl)cc1 ZINC000781115541 585790477 /nfs/dbraw/zinc/79/04/77/585790477.db2.gz PXCXHCGTJVLPPC-UHFFFAOYSA-N 0 0 242.775 3.881 20 30 BHEDRN Cc1ccc(N=NC2CCC[C@@H](C)[C@@H]2C)nc1 ZINC000781123002 585790558 /nfs/dbraw/zinc/79/05/58/585790558.db2.gz UNQCOMLMLAFIQD-NEPJUHHUSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccc(N=NC2CCC[C@H](C)[C@H]2C)nc1 ZINC000781123003 585790738 /nfs/dbraw/zinc/79/07/38/585790738.db2.gz UNQCOMLMLAFIQD-NWDGAFQWSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccc(N=NC2CCC[C@H](C)[C@@H]2C)nc1 ZINC000781123005 585790739 /nfs/dbraw/zinc/79/07/39/585790739.db2.gz UNQCOMLMLAFIQD-RYUDHWBXSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccc(N=NC2CCC[C@@H](C)[C@H]2C)nc1 ZINC000781123006 585790868 /nfs/dbraw/zinc/79/08/68/585790868.db2.gz UNQCOMLMLAFIQD-VXGBXAGGSA-N 0 0 231.343 3.614 20 30 BHEDRN C[C@@H]1CCCC(=NOC2CCCC2)[C@@H]1C ZINC000781124281 585790696 /nfs/dbraw/zinc/79/06/96/585790696.db2.gz CSYHDNCLKJKMNJ-GHMZBOCLSA-N 0 0 209.333 3.758 20 30 BHEDRN C[C@@H]1CCCC(=NOC2CCCC2)[C@H]1C ZINC000781124282 585790670 /nfs/dbraw/zinc/79/06/70/585790670.db2.gz CSYHDNCLKJKMNJ-MNOVXSKESA-N 0 0 209.333 3.758 20 30 BHEDRN C[C@H]1CCCC(=NOC2CCCC2)[C@H]1C ZINC000781124283 585790755 /nfs/dbraw/zinc/79/07/55/585790755.db2.gz CSYHDNCLKJKMNJ-QWRGUYRKSA-N 0 0 209.333 3.758 20 30 BHEDRN C[C@H]1C(=NOC2CCCC2)CCC[C@@H]1C ZINC000781124284 585790671 /nfs/dbraw/zinc/79/06/71/585790671.db2.gz CSYHDNCLKJKMNJ-WDEREUQCSA-N 0 0 209.333 3.758 20 30 BHEDRN Cc1ccnc(N=NC2CCC[C@@H](C)[C@@H]2C)c1 ZINC000781124728 585790721 /nfs/dbraw/zinc/79/07/21/585790721.db2.gz BXIRTXUIWJDMKG-NEPJUHHUSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccnc(N=NC2CCC[C@H](C)[C@H]2C)c1 ZINC000781124729 585790744 /nfs/dbraw/zinc/79/07/44/585790744.db2.gz BXIRTXUIWJDMKG-NWDGAFQWSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccnc(N=NC2CCC[C@H](C)[C@@H]2C)c1 ZINC000781124730 585790753 /nfs/dbraw/zinc/79/07/53/585790753.db2.gz BXIRTXUIWJDMKG-RYUDHWBXSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccnc(N=NC2CCC[C@@H](C)[C@H]2C)c1 ZINC000781124731 582850546 /nfs/dbraw/zinc/85/05/46/582850546.db2.gz BXIRTXUIWJDMKG-VXGBXAGGSA-N 0 0 231.343 3.614 20 30 BHEDRN CCSCCCN=Nc1cc(C)ccc1F ZINC000781125174 585790708 /nfs/dbraw/zinc/79/07/08/585790708.db2.gz JNZKKRQEEPOGPS-UHFFFAOYSA-N 0 0 240.347 3.675 20 30 BHEDRN CCC(C[C@@H](C)CC)N=Nc1ccnc(F)c1 ZINC000781126442 585790825 /nfs/dbraw/zinc/79/08/25/585790825.db2.gz BGTZNIZIEJOTRO-JTQLQIEISA-N 0 0 237.322 3.835 20 30 BHEDRN CCC(C[C@H](C)CC)N=Nc1ccnc(F)c1 ZINC000781126445 585790730 /nfs/dbraw/zinc/79/07/30/585790730.db2.gz BGTZNIZIEJOTRO-SNVBAGLBSA-N 0 0 237.322 3.835 20 30 BHEDRN CC1(C)CCC(CN=Nc2ccnc(F)c2)CC1 ZINC000781126577 585790733 /nfs/dbraw/zinc/79/07/33/585790733.db2.gz CZFICGDDWXXYLG-UHFFFAOYSA-N 0 0 249.333 3.835 20 30 BHEDRN CCC[C@H](C)C(CC)N=Nc1ccnc(F)c1 ZINC000781126934 585790765 /nfs/dbraw/zinc/79/07/65/585790765.db2.gz HNAJCQTWQOTCSX-JTQLQIEISA-N 0 0 237.322 3.835 20 30 BHEDRN CCC[C@@H](C)C(CC)N=Nc1ccnc(F)c1 ZINC000781126938 585790659 /nfs/dbraw/zinc/79/06/59/585790659.db2.gz HNAJCQTWQOTCSX-SNVBAGLBSA-N 0 0 237.322 3.835 20 30 BHEDRN CC1(C)CCCC(N=Nc2ccnc(F)c2)C1 ZINC000781127291 585791045 /nfs/dbraw/zinc/79/10/45/585791045.db2.gz LVMGJONSRGUPKL-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN CCCCCCC(C)N=Nc1ccnc(F)c1 ZINC000781127504 585790935 /nfs/dbraw/zinc/79/09/35/585790935.db2.gz NEBMOTQIZXBICF-UHFFFAOYSA-N 0 0 237.322 3.979 20 30 BHEDRN CCC(CC)NN=C1CCC[C@@H](C)[C@H]1C ZINC000781127743 585790938 /nfs/dbraw/zinc/79/09/38/585790938.db2.gz QFRGSIAXOQNAIA-GHMZBOCLSA-N 0 0 210.365 3.577 20 30 BHEDRN CCC(CC)NN=C1CCC[C@@H](C)[C@@H]1C ZINC000781127747 585790910 /nfs/dbraw/zinc/79/09/10/585790910.db2.gz QFRGSIAXOQNAIA-MNOVXSKESA-N 0 0 210.365 3.577 20 30 BHEDRN CCC(CC)NN=C1CCC[C@H](C)[C@@H]1C ZINC000781127748 585790888 /nfs/dbraw/zinc/79/08/88/585790888.db2.gz QFRGSIAXOQNAIA-QWRGUYRKSA-N 0 0 210.365 3.577 20 30 BHEDRN CCC(CC)NN=C1CCC[C@H](C)[C@H]1C ZINC000781127749 585791038 /nfs/dbraw/zinc/79/10/38/585791038.db2.gz QFRGSIAXOQNAIA-WDEREUQCSA-N 0 0 210.365 3.577 20 30 BHEDRN CCC(=NNc1ccnc(F)c1)c1cccs1 ZINC000781128241 585790899 /nfs/dbraw/zinc/79/08/99/585790899.db2.gz SWMDEZSNHHNBOF-UHFFFAOYSA-N 0 0 249.314 3.508 20 30 BHEDRN Fc1cc(N=NC2CCCCCCC2)ccn1 ZINC000781128243 585790926 /nfs/dbraw/zinc/79/09/26/585790926.db2.gz SXEWSDOBTUYWKK-UHFFFAOYSA-N 0 0 235.306 3.733 20 30 BHEDRN CCSCCCN=Nc1ccc(F)cc1C ZINC000781128780 585791009 /nfs/dbraw/zinc/79/10/09/585791009.db2.gz VCAGNWWQCYSGJZ-UHFFFAOYSA-N 0 0 240.347 3.675 20 30 BHEDRN CC1(C)CCCCC1N=Nc1ccnc(F)c1 ZINC000781129118 585790907 /nfs/dbraw/zinc/79/09/07/585790907.db2.gz BZGFELNBQRBGCE-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN CC(C)CCCC(C)N=Nc1ccnc(F)c1 ZINC000781129224 585791069 /nfs/dbraw/zinc/79/10/69/585791069.db2.gz DYJCTPZUIXZRKZ-UHFFFAOYSA-N 0 0 237.322 3.835 20 30 BHEDRN CC1(CN=Nc2ccnc(F)c2)CCCCCC1 ZINC000781129422 585791031 /nfs/dbraw/zinc/79/10/31/585791031.db2.gz HKIVPGKOKHQOSN-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN CC(N=Nc1ccnc(F)c1)C1CCCCC1 ZINC000781129793 585790918 /nfs/dbraw/zinc/79/09/18/585790918.db2.gz KNSYTCGTYPYPAT-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@@H]1C[C@H](C)CCC1N=Nc1ccnc(F)c1 ZINC000781130174 585791139 /nfs/dbraw/zinc/79/11/39/585791139.db2.gz PLTJFNJPLXBFJQ-GHMZBOCLSA-N 0 0 249.333 3.835 20 30 BHEDRN CC[C@H]1C[C@H](C)CCC1N=Nc1ccnc(F)c1 ZINC000781130175 585791297 /nfs/dbraw/zinc/79/12/97/585791297.db2.gz PLTJFNJPLXBFJQ-MNOVXSKESA-N 0 0 249.333 3.835 20 30 BHEDRN CC[C@H]1C[C@@H](C)CCC1N=Nc1ccnc(F)c1 ZINC000781130177 585791136 /nfs/dbraw/zinc/79/11/36/585791136.db2.gz PLTJFNJPLXBFJQ-QWRGUYRKSA-N 0 0 249.333 3.835 20 30 BHEDRN CC[C@@H]1C[C@@H](C)CCC1N=Nc1ccnc(F)c1 ZINC000781130179 582850964 /nfs/dbraw/zinc/85/09/64/582850964.db2.gz PLTJFNJPLXBFJQ-WDEREUQCSA-N 0 0 249.333 3.835 20 30 BHEDRN CCCC[C@@H]1CCCC1N=Nc1ccnc(F)c1 ZINC000781130274 585791124 /nfs/dbraw/zinc/79/11/24/585791124.db2.gz RMCCZLPAHPCZSL-LLVKDONJSA-N 0 0 249.333 3.979 20 30 BHEDRN CCCC[C@H]1CCCC1N=Nc1ccnc(F)c1 ZINC000781130276 585791203 /nfs/dbraw/zinc/79/12/03/585791203.db2.gz RMCCZLPAHPCZSL-NSHDSACASA-N 0 0 249.333 3.979 20 30 BHEDRN Fc1cc(N=NCC2CCCCCC2)ccn1 ZINC000781130540 585791245 /nfs/dbraw/zinc/79/12/45/585791245.db2.gz XFJJKJBBKHAYQK-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN CCCC1CCC(N=Nc2ccnc(F)c2)CC1 ZINC000781130594 585791130 /nfs/dbraw/zinc/79/11/30/585791130.db2.gz YZJXXAYJBABMMP-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN CC(C)(C)CCCOC(=O)c1cccc(C#N)c1 ZINC000781131159 585791235 /nfs/dbraw/zinc/79/12/35/585791235.db2.gz HWTYNRVYZWULJJ-UHFFFAOYSA-N 0 0 245.322 3.541 20 30 BHEDRN CCCC(CCC)N=Nc1ccnc(F)c1 ZINC000781131585 585791106 /nfs/dbraw/zinc/79/11/06/585791106.db2.gz ADRAOCVVKHBTRN-UHFFFAOYSA-N 0 0 223.295 3.589 20 30 BHEDRN CCC1(C)CCC(N=Nc2ccnc(F)c2)CC1 ZINC000781131633 585791302 /nfs/dbraw/zinc/79/13/02/585791302.db2.gz AQRLRTZMBLQJIY-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN CC1(C)CCC(N=Nc2ccnc(F)c2)CC1 ZINC000781131723 585791206 /nfs/dbraw/zinc/79/12/06/585791206.db2.gz BBZCKKUQJRLRGM-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN CC(C)=CCCC(C)N=Nc1ccnc(F)c1 ZINC000781131828 585791150 /nfs/dbraw/zinc/79/11/50/585791150.db2.gz CUVJVXOXAMAIJI-UHFFFAOYSA-N 0 0 235.306 3.755 20 30 BHEDRN Fc1cc(N=NC2CCC[C@@H](C3CC3)C2)ccn1 ZINC000781132697 585791251 /nfs/dbraw/zinc/79/12/51/585791251.db2.gz HIYIDGKJKOETDI-LLVKDONJSA-N 0 0 247.317 3.589 20 30 BHEDRN Fc1cc(N=NC2CCC[C@H](C3CC3)C2)ccn1 ZINC000781132698 585791208 /nfs/dbraw/zinc/79/12/08/585791208.db2.gz HIYIDGKJKOETDI-NSHDSACASA-N 0 0 247.317 3.589 20 30 BHEDRN CC1(C)CCC[C@@H](CN=Nc2ccnc(F)c2)C1 ZINC000781132762 585791290 /nfs/dbraw/zinc/79/12/90/585791290.db2.gz IRBSARSQMARSME-LLVKDONJSA-N 0 0 249.333 3.835 20 30 BHEDRN CC1(C)CCC[C@H](CN=Nc2ccnc(F)c2)C1 ZINC000781132763 585791126 /nfs/dbraw/zinc/79/11/26/585791126.db2.gz IRBSARSQMARSME-NSHDSACASA-N 0 0 249.333 3.835 20 30 BHEDRN CCCCC(CC)N=Nc1ccnc(F)c1 ZINC000781132799 582850876 /nfs/dbraw/zinc/85/08/76/582850876.db2.gz JQDLBPOZNPJDFV-UHFFFAOYSA-N 0 0 223.295 3.589 20 30 BHEDRN CCCCCCCN=Nc1ccnc(F)c1 ZINC000781132890 585791158 /nfs/dbraw/zinc/79/11/58/585791158.db2.gz QBIWGYBAIUIALG-UHFFFAOYSA-N 0 0 223.295 3.589 20 30 BHEDRN CC(C)[C@H]1CCCCC1N=Nc1ccnc(F)c1 ZINC000781132938 585791102 /nfs/dbraw/zinc/79/11/02/585791102.db2.gz RYGVQDXMCRKOHX-GFCCVEGCSA-N 0 0 249.333 3.835 20 30 BHEDRN CC(C)[C@@H]1CCCCC1N=Nc1ccnc(F)c1 ZINC000781132939 585791171 /nfs/dbraw/zinc/79/11/71/585791171.db2.gz RYGVQDXMCRKOHX-LBPRGKRZSA-N 0 0 249.333 3.835 20 30 BHEDRN CC(C)(C)CCCOC(=O)c1ccc(C#N)cc1 ZINC000781133036 585791236 /nfs/dbraw/zinc/79/12/36/585791236.db2.gz VDAYEPIWDSWPMW-UHFFFAOYSA-N 0 0 245.322 3.541 20 30 BHEDRN C[C@H]1CC(C)(C)CCC1N=Nc1ccnc(F)c1 ZINC000781133303 585791324 /nfs/dbraw/zinc/79/13/24/585791324.db2.gz CFWYXWCAJFWBMR-JTQLQIEISA-N 0 0 249.333 3.835 20 30 BHEDRN C[C@@H]1CC(C)(C)CCC1N=Nc1ccnc(F)c1 ZINC000781133304 585791355 /nfs/dbraw/zinc/79/13/55/585791355.db2.gz CFWYXWCAJFWBMR-SNVBAGLBSA-N 0 0 249.333 3.835 20 30 BHEDRN CCC1CCC(N=Nc2ccnc(F)c2)CC1 ZINC000781133330 585791305 /nfs/dbraw/zinc/79/13/05/585791305.db2.gz CTSUTQZINGQLKQ-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN CC(CC1CCCC1)N=Nc1ccnc(F)c1 ZINC000781133371 585791475 /nfs/dbraw/zinc/79/14/75/585791475.db2.gz DUFALZXBASYXCX-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN CC1C=C(N=Nc2ccnc(F)c2)CC(C)(C)C1 ZINC000781133679 585791366 /nfs/dbraw/zinc/79/13/66/585791366.db2.gz GBKYDBQWYNYSKM-UHFFFAOYSA-N 0 0 247.317 3.755 20 30 BHEDRN CC[C@H]1CCCC(N=Nc2ccnc(F)c2)C1 ZINC000781133689 585791444 /nfs/dbraw/zinc/79/14/44/585791444.db2.gz GNJXRYLASLKPKD-JTQLQIEISA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@@H]1CCCC(N=Nc2ccnc(F)c2)C1 ZINC000781133691 585791512 /nfs/dbraw/zinc/79/15/12/585791512.db2.gz GNJXRYLASLKPKD-SNVBAGLBSA-N 0 0 235.306 3.589 20 30 BHEDRN CCC(N=Nc1ccnc(F)c1)C1CCCCC1 ZINC000781133852 585791368 /nfs/dbraw/zinc/79/13/68/585791368.db2.gz VPHUBRQLUIKADK-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN CC(C)C1CCC(N=Nc2ccnc(F)c2)CC1 ZINC000781134030 585791329 /nfs/dbraw/zinc/79/13/29/585791329.db2.gz YYYKPZMNDMQDAC-UHFFFAOYSA-N 0 0 249.333 3.835 20 30 BHEDRN CC[C@H]1CCCCC1N=Nc1ccnc(F)c1 ZINC000781134066 585791370 /nfs/dbraw/zinc/79/13/70/585791370.db2.gz PMDWEJRQSFCHEI-JTQLQIEISA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@@H]1CCCCC1N=Nc1ccnc(F)c1 ZINC000781134067 585791460 /nfs/dbraw/zinc/79/14/60/585791460.db2.gz PMDWEJRQSFCHEI-SNVBAGLBSA-N 0 0 235.306 3.589 20 30 BHEDRN CC(CCC1CCCC1)N=Nc1ccnc(F)c1 ZINC000781134097 585791485 /nfs/dbraw/zinc/79/14/85/585791485.db2.gz QXJWQFHXJNTOOA-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN CCCCCC(C)N=Nc1ccnc(F)c1 ZINC000781134135 585791458 /nfs/dbraw/zinc/79/14/58/585791458.db2.gz SMRBGUROCVJVPE-UHFFFAOYSA-N 0 0 223.295 3.589 20 30 BHEDRN CC1=CCC[C@H](C)[C@H]1CN=Nc1ccnc(F)c1 ZINC000781134194 585791354 /nfs/dbraw/zinc/79/13/54/585791354.db2.gz VRNDNDBXGNNRII-AAEUAGOBSA-N 0 0 247.317 3.611 20 30 BHEDRN CC1=CCC[C@@H](C)[C@@H]1CN=Nc1ccnc(F)c1 ZINC000781134195 582851028 /nfs/dbraw/zinc/85/10/28/582851028.db2.gz VRNDNDBXGNNRII-DGCLKSJQSA-N 0 0 247.317 3.611 20 30 BHEDRN CC1=CCC[C@H](C)[C@@H]1CN=Nc1ccnc(F)c1 ZINC000781134196 582850919 /nfs/dbraw/zinc/85/09/19/582850919.db2.gz VRNDNDBXGNNRII-WCQYABFASA-N 0 0 247.317 3.611 20 30 BHEDRN CC1=CCC[C@@H](C)[C@H]1CN=Nc1ccnc(F)c1 ZINC000781134197 582851091 /nfs/dbraw/zinc/85/10/91/582851091.db2.gz VRNDNDBXGNNRII-YPMHNXCESA-N 0 0 247.317 3.611 20 30 BHEDRN C=CCCC(=O)OCc1ccc(Cl)c(C)c1 ZINC000781172443 585791982 /nfs/dbraw/zinc/79/19/82/585791982.db2.gz IAFWDOGSZLKREW-UHFFFAOYSA-N 0 0 238.714 3.658 20 30 BHEDRN C#CCCCCC(=O)OCCCC(C)(C)C ZINC000781201499 585793132 /nfs/dbraw/zinc/79/31/32/585793132.db2.gz HCPBFUSZFYZYIC-UHFFFAOYSA-N 0 0 224.344 3.550 20 30 BHEDRN C=CCCC(=O)Nc1ccc2sc(C)nc2c1 ZINC000781202240 585793070 /nfs/dbraw/zinc/79/30/70/585793070.db2.gz MQBKNTMIASVRFZ-UHFFFAOYSA-N 0 0 246.335 3.509 20 30 BHEDRN CC1(C(=O)OCCCCC#N)CCCCCC1 ZINC000781302269 585794580 /nfs/dbraw/zinc/79/45/80/585794580.db2.gz WLZVVNDJBDYNMS-UHFFFAOYSA-N 0 0 237.343 3.584 20 30 BHEDRN C=CCCOC(=O)c1cc(C)c(C)cc1Cl ZINC000781310773 585794628 /nfs/dbraw/zinc/79/46/28/585794628.db2.gz VCUQCVPNEBZGFZ-UHFFFAOYSA-N 0 0 238.714 3.690 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1ccc(C)cc1OC ZINC000781339624 585794718 /nfs/dbraw/zinc/79/47/18/585794718.db2.gz GPTVKNHXTHFQRM-GFCCVEGCSA-N 0 0 248.322 3.515 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1ccc(C)cc1OC ZINC000781339627 585794905 /nfs/dbraw/zinc/79/49/05/585794905.db2.gz GPTVKNHXTHFQRM-LBPRGKRZSA-N 0 0 248.322 3.515 20 30 BHEDRN CCCCCCCCSc1cccnn1 ZINC000781385407 585795630 /nfs/dbraw/zinc/79/56/30/585795630.db2.gz BNVBYQQNKMYCGL-UHFFFAOYSA-N 0 0 224.373 3.929 20 30 BHEDRN CCCCCCCSc1cccnn1 ZINC000781385968 585795432 /nfs/dbraw/zinc/79/54/32/585795432.db2.gz HKSPIPFNRKNNCZ-UHFFFAOYSA-N 0 0 210.346 3.539 20 30 BHEDRN CCCCC[C@](C)(CC)C(=O)OCCCC#N ZINC000781434832 585795972 /nfs/dbraw/zinc/79/59/72/585795972.db2.gz CPWRHMAIVJVBPO-AWEZNQCLSA-N 0 0 239.359 3.830 20 30 BHEDRN CCCCC[C@@](C)(CC)C(=O)OCCCC#N ZINC000781434835 585796080 /nfs/dbraw/zinc/79/60/80/585796080.db2.gz CPWRHMAIVJVBPO-CQSZACIVSA-N 0 0 239.359 3.830 20 30 BHEDRN C=CCc1ccccc1OC(=O)c1coc(C)c1 ZINC000781451854 585796231 /nfs/dbraw/zinc/79/62/31/585796231.db2.gz OHOBDOULJTUWBH-UHFFFAOYSA-N 0 0 242.274 3.536 20 30 BHEDRN CC1(C(=O)OCC2(CC#N)CC2)CCCCCC1 ZINC000781459588 585796232 /nfs/dbraw/zinc/79/62/32/585796232.db2.gz LQHNVYNVPGJQDT-UHFFFAOYSA-N 0 0 249.354 3.584 20 30 BHEDRN C[C@H](CC(=O)OCC(C)(C)C#N)CC(C)(C)C ZINC000781467812 585796560 /nfs/dbraw/zinc/79/65/60/585796560.db2.gz UESUZSFNILTPSI-LLVKDONJSA-N 0 0 239.359 3.542 20 30 BHEDRN C[C@@H](CC(=O)OCC(C)(C)C#N)CC(C)(C)C ZINC000781467813 585796576 /nfs/dbraw/zinc/79/65/76/585796576.db2.gz UESUZSFNILTPSI-NSHDSACASA-N 0 0 239.359 3.542 20 30 BHEDRN CCCCCCCCC(=O)OCC(C)(C)C#N ZINC000781469686 585796608 /nfs/dbraw/zinc/79/66/08/585796608.db2.gz CEXRXZAXAUXVQP-UHFFFAOYSA-N 0 0 239.359 3.830 20 30 BHEDRN CC(C)CCCCCC(=O)OCC(C)(C)C#N ZINC000781470084 585796633 /nfs/dbraw/zinc/79/66/33/585796633.db2.gz FBCZEKALEBPUOJ-UHFFFAOYSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCC[C@@H](CC)CC(=O)OCC(C)(C)C#N ZINC000781470142 585796565 /nfs/dbraw/zinc/79/65/65/585796565.db2.gz FMOHAGOJYCFNSO-GFCCVEGCSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCC[C@H](CC)CC(=O)OCC(C)(C)C#N ZINC000781470144 585796589 /nfs/dbraw/zinc/79/65/89/585796589.db2.gz FMOHAGOJYCFNSO-LBPRGKRZSA-N 0 0 239.359 3.686 20 30 BHEDRN CC(C)c1ccc(C(=O)OCC(C)(C)C#N)cc1 ZINC000781476422 585796879 /nfs/dbraw/zinc/79/68/79/585796879.db2.gz FBFRKDMVWIJCEH-UHFFFAOYSA-N 0 0 245.322 3.517 20 30 BHEDRN CCCC(=CC(=O)OCC(C)(C)C#N)CCC ZINC000781477246 585796881 /nfs/dbraw/zinc/79/68/81/585796881.db2.gz XCWPHPBGCJDXRM-UHFFFAOYSA-N 0 0 237.343 3.606 20 30 BHEDRN CCCCC[C@@H](C)CC(=O)OCC(C)(C)C#N ZINC000781478213 585796770 /nfs/dbraw/zinc/79/67/70/585796770.db2.gz JEGAYXOQWNQDHY-GFCCVEGCSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCCC[C@H](C)CC(=O)OCC(C)(C)C#N ZINC000781478214 585796855 /nfs/dbraw/zinc/79/68/55/585796855.db2.gz JEGAYXOQWNQDHY-LBPRGKRZSA-N 0 0 239.359 3.686 20 30 BHEDRN C#C[C@H](C)OC(=O)[C@](C)(CC)CCCCC ZINC000781489475 585797462 /nfs/dbraw/zinc/79/74/62/585797462.db2.gz TXACPBQFPPTESD-GXTWGEPZSA-N 0 0 224.344 3.548 20 30 BHEDRN C#C[C@H](C)OC(=O)[C@@](C)(CC)CCCCC ZINC000781489477 585797467 /nfs/dbraw/zinc/79/74/67/585797467.db2.gz TXACPBQFPPTESD-JSGCOSHPSA-N 0 0 224.344 3.548 20 30 BHEDRN C#C[C@@H](C)OC(=O)[C@@](C)(CC)CCCCC ZINC000781489478 585797592 /nfs/dbraw/zinc/79/75/92/585797592.db2.gz TXACPBQFPPTESD-OCCSQVGLSA-N 0 0 224.344 3.548 20 30 BHEDRN C#C[C@@H](C)OC(=O)[C@](C)(CC)CCCCC ZINC000781489479 585797409 /nfs/dbraw/zinc/79/74/09/585797409.db2.gz TXACPBQFPPTESD-TZMCWYRMSA-N 0 0 224.344 3.548 20 30 BHEDRN CCCCC[C@@](C)(CC)C(=O)OC[C@@H](C)C#N ZINC000781517326 585798076 /nfs/dbraw/zinc/79/80/76/585798076.db2.gz XQGWUUIALADLQH-GXTWGEPZSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCCC[C@](C)(CC)C(=O)OC[C@@H](C)C#N ZINC000781517327 585798198 /nfs/dbraw/zinc/79/81/98/585798198.db2.gz XQGWUUIALADLQH-JSGCOSHPSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCCC[C@](C)(CC)C(=O)OC[C@H](C)C#N ZINC000781517328 585798051 /nfs/dbraw/zinc/79/80/51/585798051.db2.gz XQGWUUIALADLQH-OCCSQVGLSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCCC[C@@](C)(CC)C(=O)OC[C@H](C)C#N ZINC000781517329 585798037 /nfs/dbraw/zinc/79/80/37/585798037.db2.gz XQGWUUIALADLQH-TZMCWYRMSA-N 0 0 239.359 3.686 20 30 BHEDRN C#CCC(C)(C)COC(=O)C1(C)CCCCC1 ZINC000781542343 585798166 /nfs/dbraw/zinc/79/81/66/585798166.db2.gz CYRBFEWPCWQTOO-UHFFFAOYSA-N 0 0 236.355 3.550 20 30 BHEDRN C#CC[C@@H](OC(=O)[C@H](C)CC(=C)C)C(C)(C)C ZINC000781553383 585798470 /nfs/dbraw/zinc/79/84/70/585798470.db2.gz GYUDJUGQUNKPKK-CHWSQXEVSA-N 0 0 236.355 3.570 20 30 BHEDRN C#CC[C@H](OC(=O)[C@H](C)CC(=C)C)C(C)(C)C ZINC000781553384 585798597 /nfs/dbraw/zinc/79/85/97/585798597.db2.gz GYUDJUGQUNKPKK-OLZOCXBDSA-N 0 0 236.355 3.570 20 30 BHEDRN C#CC[C@@H](OC(=O)[C@@H](C)CC(=C)C)C(C)(C)C ZINC000781553385 585798615 /nfs/dbraw/zinc/79/86/15/585798615.db2.gz GYUDJUGQUNKPKK-QWHCGFSZSA-N 0 0 236.355 3.570 20 30 BHEDRN C#CC[C@H](OC(=O)[C@@H](C)CC(=C)C)C(C)(C)C ZINC000781553386 585798608 /nfs/dbraw/zinc/79/86/08/585798608.db2.gz GYUDJUGQUNKPKK-STQMWFEESA-N 0 0 236.355 3.570 20 30 BHEDRN C#CC[C@@H](OC(=O)CC1CCCC1)C(C)(C)C ZINC000781554670 585798669 /nfs/dbraw/zinc/79/86/69/585798669.db2.gz JLHHYROLUNXFHY-CYBMUJFWSA-N 0 0 236.355 3.548 20 30 BHEDRN C#CC[C@H](OC(=O)CC1CCCC1)C(C)(C)C ZINC000781554671 585798473 /nfs/dbraw/zinc/79/84/73/585798473.db2.gz JLHHYROLUNXFHY-ZDUSSCGKSA-N 0 0 236.355 3.548 20 30 BHEDRN C#CC[C@@H](OC(=O)[C@H]1CC12CCCC2)C(C)(C)C ZINC000781554719 585798547 /nfs/dbraw/zinc/79/85/47/585798547.db2.gz KXVAUZHWCWXRBB-CHWSQXEVSA-N 0 0 248.366 3.548 20 30 BHEDRN C#CC[C@H](OC(=O)[C@H]1CC12CCCC2)C(C)(C)C ZINC000781554723 585798464 /nfs/dbraw/zinc/79/84/64/585798464.db2.gz KXVAUZHWCWXRBB-OLZOCXBDSA-N 0 0 248.366 3.548 20 30 BHEDRN C#CC[C@@H](OC(=O)[C@@H]1CC12CCCC2)C(C)(C)C ZINC000781554726 585798587 /nfs/dbraw/zinc/79/85/87/585798587.db2.gz KXVAUZHWCWXRBB-QWHCGFSZSA-N 0 0 248.366 3.548 20 30 BHEDRN C#CC[C@H](OC(=O)[C@@H]1CC12CCCC2)C(C)(C)C ZINC000781554730 585798681 /nfs/dbraw/zinc/79/86/81/585798681.db2.gz KXVAUZHWCWXRBB-STQMWFEESA-N 0 0 248.366 3.548 20 30 BHEDRN C#CC[C@H](OC(=O)C(CC=C)CC=C)C(C)(C)C ZINC000781554968 585798565 /nfs/dbraw/zinc/79/85/65/585798565.db2.gz RWMVLTCBESCBPH-AWEZNQCLSA-N 0 0 248.366 3.736 20 30 BHEDRN C#CC[C@@H](OC(=O)C(CC=C)CC=C)C(C)(C)C ZINC000781554969 585798492 /nfs/dbraw/zinc/79/84/92/585798492.db2.gz RWMVLTCBESCBPH-CQSZACIVSA-N 0 0 248.366 3.736 20 30 BHEDRN C#CC[C@@H](OC(=O)CCC1CCC1)C(C)(C)C ZINC000781558560 585798580 /nfs/dbraw/zinc/79/85/80/585798580.db2.gz KFIWGSQMYRVWTL-CYBMUJFWSA-N 0 0 236.355 3.548 20 30 BHEDRN C#CC[C@H](OC(=O)CCC1CCC1)C(C)(C)C ZINC000781558561 585798673 /nfs/dbraw/zinc/79/86/73/585798673.db2.gz KFIWGSQMYRVWTL-ZDUSSCGKSA-N 0 0 236.355 3.548 20 30 BHEDRN C=C[C@H](C)OC(=O)Cc1csc2ccccc12 ZINC000781568285 585798797 /nfs/dbraw/zinc/79/87/97/585798797.db2.gz JBBXAEWCLYSJCO-JTQLQIEISA-N 0 0 246.331 3.562 20 30 BHEDRN C=C[C@@H](C)OC(=O)Cc1csc2ccccc12 ZINC000781568287 585798719 /nfs/dbraw/zinc/79/87/19/585798719.db2.gz JBBXAEWCLYSJCO-SNVBAGLBSA-N 0 0 246.331 3.562 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1ccc(Cl)cc1Cl ZINC000781568569 585798742 /nfs/dbraw/zinc/79/87/42/585798742.db2.gz MHJNXMWJXCJBRD-SSDOTTSWSA-N 0 0 245.105 3.725 20 30 BHEDRN C=C[C@H](C)OC(=O)c1ccc(Cl)cc1Cl ZINC000781568582 585798692 /nfs/dbraw/zinc/79/86/92/585798692.db2.gz MHJNXMWJXCJBRD-ZETCQYMHSA-N 0 0 245.105 3.725 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1cc2ccccc2s1 ZINC000781573407 585799001 /nfs/dbraw/zinc/79/90/01/585799001.db2.gz AQJSSZZVDRKFNP-SECBINFHSA-N 0 0 232.304 3.633 20 30 BHEDRN C=C[C@H](C)OC(=O)c1cc2ccccc2s1 ZINC000781573412 585798910 /nfs/dbraw/zinc/79/89/10/585798910.db2.gz AQJSSZZVDRKFNP-VIFPVBQESA-N 0 0 232.304 3.633 20 30 BHEDRN C=C[C@@H](C)OC(=O)Cc1cccc2ccccc21 ZINC000781573471 585799047 /nfs/dbraw/zinc/79/90/47/585799047.db2.gz BUZZELBPFHRXFU-GFCCVEGCSA-N 0 0 240.302 3.500 20 30 BHEDRN C=C[C@H](C)OC(=O)Cc1cccc2ccccc21 ZINC000781573473 585799079 /nfs/dbraw/zinc/79/90/79/585799079.db2.gz BUZZELBPFHRXFU-LBPRGKRZSA-N 0 0 240.302 3.500 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1ccc(-c2ccco2)s1 ZINC000781573628 585798906 /nfs/dbraw/zinc/79/89/06/585798906.db2.gz HHIYMYFQZREGKF-SECBINFHSA-N 0 0 248.303 3.739 20 30 BHEDRN C=C[C@H](C)OC(=O)c1ccc(-c2ccco2)s1 ZINC000781573629 585798934 /nfs/dbraw/zinc/79/89/34/585798934.db2.gz HHIYMYFQZREGKF-VIFPVBQESA-N 0 0 248.303 3.739 20 30 BHEDRN C=C[C@@H](C)OC(=O)C1(Cc2ccccc2)CCC1 ZINC000781573911 585799116 /nfs/dbraw/zinc/79/91/16/585799116.db2.gz NOEDABXAIWKVTA-CYBMUJFWSA-N 0 0 244.334 3.517 20 30 BHEDRN C=C[C@H](C)OC(=O)C1(Cc2ccccc2)CCC1 ZINC000781573912 585798926 /nfs/dbraw/zinc/79/89/26/585798926.db2.gz NOEDABXAIWKVTA-ZDUSSCGKSA-N 0 0 244.334 3.517 20 30 BHEDRN C=C[C@@H](C)OC(=O)C1(c2cccc(C)c2)CCC1 ZINC000781574095 582859267 /nfs/dbraw/zinc/85/92/67/582859267.db2.gz PXRKPGQPOJCKNX-CYBMUJFWSA-N 0 0 244.334 3.534 20 30 BHEDRN C=C[C@H](C)OC(=O)C1(c2cccc(C)c2)CCC1 ZINC000781574096 582859392 /nfs/dbraw/zinc/85/93/92/582859392.db2.gz PXRKPGQPOJCKNX-ZDUSSCGKSA-N 0 0 244.334 3.534 20 30 BHEDRN C=C[C@@H](C)OC(=O)C1(c2ccccc2)CCCC1 ZINC000781574355 585799065 /nfs/dbraw/zinc/79/90/65/585799065.db2.gz SVDWLCPZGUSVMB-CYBMUJFWSA-N 0 0 244.334 3.616 20 30 BHEDRN C=C[C@H](C)OC(=O)C1(c2ccccc2)CCCC1 ZINC000781574356 585799093 /nfs/dbraw/zinc/79/90/93/585799093.db2.gz SVDWLCPZGUSVMB-ZDUSSCGKSA-N 0 0 244.334 3.616 20 30 BHEDRN C=C[C@H](C)OC(=O)C[C@H]1CCCc2ccccc21 ZINC000781574848 585799273 /nfs/dbraw/zinc/79/92/73/585799273.db2.gz DTNCKFLUMKDCGE-GXTWGEPZSA-N 0 0 244.334 3.614 20 30 BHEDRN C=C[C@H](C)OC(=O)C[C@@H]1CCCc2ccccc21 ZINC000781574852 585799269 /nfs/dbraw/zinc/79/92/69/585799269.db2.gz DTNCKFLUMKDCGE-JSGCOSHPSA-N 0 0 244.334 3.614 20 30 BHEDRN C=C[C@@H](C)OC(=O)C[C@@H]1CCCc2ccccc21 ZINC000781574854 585799235 /nfs/dbraw/zinc/79/92/35/585799235.db2.gz DTNCKFLUMKDCGE-OCCSQVGLSA-N 0 0 244.334 3.614 20 30 BHEDRN C=C[C@@H](C)OC(=O)C[C@H]1CCCc2ccccc21 ZINC000781574855 585799219 /nfs/dbraw/zinc/79/92/19/585799219.db2.gz DTNCKFLUMKDCGE-TZMCWYRMSA-N 0 0 244.334 3.614 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1ccc2ccccc2c1 ZINC000781575189 585799143 /nfs/dbraw/zinc/79/91/43/585799143.db2.gz MVOBHBBMLDVLMM-LLVKDONJSA-N 0 0 226.275 3.571 20 30 BHEDRN C=C[C@H](C)OC(=O)c1ccc2ccccc2c1 ZINC000781575190 585799306 /nfs/dbraw/zinc/79/93/06/585799306.db2.gz MVOBHBBMLDVLMM-NSHDSACASA-N 0 0 226.275 3.571 20 30 BHEDRN C=C[C@@H](C)OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000781575262 582859820 /nfs/dbraw/zinc/85/98/20/582859820.db2.gz OGMAUFWKLXEEIP-NXEZZACHSA-N 0 0 238.714 3.561 20 30 BHEDRN C=C[C@H](C)OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000781575265 582859619 /nfs/dbraw/zinc/85/96/19/582859619.db2.gz OGMAUFWKLXEEIP-UWVGGRQHSA-N 0 0 238.714 3.561 20 30 BHEDRN C=C[C@H](C)OC(=O)[C@H](C)c1cccc(Cl)c1 ZINC000781575268 582859761 /nfs/dbraw/zinc/85/97/61/582859761.db2.gz OGMAUFWKLXEEIP-VHSXEESVSA-N 0 0 238.714 3.561 20 30 BHEDRN C=C[C@@H](C)OC(=O)[C@@H](C)c1cccc(Cl)c1 ZINC000781575271 582859629 /nfs/dbraw/zinc/85/96/29/582859629.db2.gz OGMAUFWKLXEEIP-ZJUUUORDSA-N 0 0 238.714 3.561 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1[nH]c2ccccc2c1Cl ZINC000781575592 585799346 /nfs/dbraw/zinc/79/93/46/585799346.db2.gz RZJZPNALLDZZKR-MRVPVSSYSA-N 0 0 249.697 3.553 20 30 BHEDRN C=C[C@H](C)OC(=O)c1[nH]c2ccccc2c1Cl ZINC000781575593 585799245 /nfs/dbraw/zinc/79/92/45/585799245.db2.gz RZJZPNALLDZZKR-QMMMGPOBSA-N 0 0 249.697 3.553 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000781575661 585799214 /nfs/dbraw/zinc/79/92/14/585799214.db2.gz CAKVOVQVMSGRKR-SECBINFHSA-N 0 0 243.306 3.516 20 30 BHEDRN C=C[C@H](C)OC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000781575662 585799344 /nfs/dbraw/zinc/79/93/44/585799344.db2.gz CAKVOVQVMSGRKR-VIFPVBQESA-N 0 0 243.306 3.516 20 30 BHEDRN C=C[C@H](C)OC(=O)c1ccccc1SCC ZINC000781576200 632395744 /nfs/dbraw/zinc/39/57/44/632395744.db2.gz GIQNWWZGXNDMMI-JTQLQIEISA-N 0 0 236.336 3.530 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1ccccc1SCC ZINC000781576201 632396184 /nfs/dbraw/zinc/39/61/84/632396184.db2.gz GIQNWWZGXNDMMI-SNVBAGLBSA-N 0 0 236.336 3.530 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1cc2sccc2s1 ZINC000781576203 585799200 /nfs/dbraw/zinc/79/92/00/585799200.db2.gz WQRUZUUNMCXQGI-SSDOTTSWSA-N 0 0 238.333 3.694 20 30 BHEDRN C=C[C@H](C)OC(=O)c1cc2sccc2s1 ZINC000781576211 585799203 /nfs/dbraw/zinc/79/92/03/585799203.db2.gz WQRUZUUNMCXQGI-ZETCQYMHSA-N 0 0 238.333 3.694 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1ccc(C)c(C)c1Cl ZINC000781576216 585799328 /nfs/dbraw/zinc/79/93/28/585799328.db2.gz GTSUWOFCEAZKBG-SECBINFHSA-N 0 0 238.714 3.688 20 30 BHEDRN C=C[C@H](C)OC(=O)c1ccc(C)c(C)c1Cl ZINC000781576220 585799338 /nfs/dbraw/zinc/79/93/38/585799338.db2.gz GTSUWOFCEAZKBG-VIFPVBQESA-N 0 0 238.714 3.688 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1ccc(-c2ccccc2)o1 ZINC000781576311 585799225 /nfs/dbraw/zinc/79/92/25/585799225.db2.gz IBXVKTVQAIYALS-LLVKDONJSA-N 0 0 242.274 3.678 20 30 BHEDRN C=C[C@H](C)OC(=O)c1ccc(-c2ccccc2)o1 ZINC000781576312 585799291 /nfs/dbraw/zinc/79/92/91/585799291.db2.gz IBXVKTVQAIYALS-NSHDSACASA-N 0 0 242.274 3.678 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1occc1-c1ccccc1 ZINC000781577207 585799176 /nfs/dbraw/zinc/79/91/76/585799176.db2.gz WSXXVJRIDMWVEW-LLVKDONJSA-N 0 0 242.274 3.678 20 30 BHEDRN C=C[C@H](C)OC(=O)c1occc1-c1ccccc1 ZINC000781577208 632395889 /nfs/dbraw/zinc/39/58/89/632395889.db2.gz WSXXVJRIDMWVEW-NSHDSACASA-N 0 0 242.274 3.678 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1csc2ccccc21 ZINC000781577229 582860133 /nfs/dbraw/zinc/86/01/33/582860133.db2.gz XJNXTAHQNHXEKR-SECBINFHSA-N 0 0 232.304 3.633 20 30 BHEDRN C=C[C@H](C)OC(=O)c1csc2ccccc21 ZINC000781577230 582860348 /nfs/dbraw/zinc/86/03/48/582860348.db2.gz XJNXTAHQNHXEKR-VIFPVBQESA-N 0 0 232.304 3.633 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1cccc(-c2ccoc2)c1 ZINC000781578244 585799405 /nfs/dbraw/zinc/79/94/05/585799405.db2.gz JWRFCGWXBNNTCJ-LLVKDONJSA-N 0 0 242.274 3.678 20 30 BHEDRN C=C[C@H](C)OC(=O)c1cccc(-c2ccoc2)c1 ZINC000781578246 585799462 /nfs/dbraw/zinc/79/94/62/585799462.db2.gz JWRFCGWXBNNTCJ-NSHDSACASA-N 0 0 242.274 3.678 20 30 BHEDRN C=C[C@H](C)OC(=O)[C@H](CCC)c1ccccc1 ZINC000781578249 585799357 /nfs/dbraw/zinc/79/93/57/585799357.db2.gz KDCSSAJHQCYVSS-GXTWGEPZSA-N 0 0 232.323 3.688 20 30 BHEDRN C=C[C@H](C)OC(=O)[C@@H](CCC)c1ccccc1 ZINC000781578251 585799427 /nfs/dbraw/zinc/79/94/27/585799427.db2.gz KDCSSAJHQCYVSS-JSGCOSHPSA-N 0 0 232.323 3.688 20 30 BHEDRN C=C[C@@H](C)OC(=O)[C@@H](CCC)c1ccccc1 ZINC000781578253 585799395 /nfs/dbraw/zinc/79/93/95/585799395.db2.gz KDCSSAJHQCYVSS-OCCSQVGLSA-N 0 0 232.323 3.688 20 30 BHEDRN C=C[C@@H](C)OC(=O)[C@H](CCC)c1ccccc1 ZINC000781578254 585799374 /nfs/dbraw/zinc/79/93/74/585799374.db2.gz KDCSSAJHQCYVSS-TZMCWYRMSA-N 0 0 232.323 3.688 20 30 BHEDRN C=C[C@@H](C)OC(=O)CC[C@@H](C)c1ccccc1 ZINC000781578371 582860680 /nfs/dbraw/zinc/86/06/80/582860680.db2.gz AUAQHDNGQNTLOQ-CHWSQXEVSA-N 0 0 232.323 3.688 20 30 BHEDRN C=C[C@H](C)OC(=O)CC[C@@H](C)c1ccccc1 ZINC000781578372 582860708 /nfs/dbraw/zinc/86/07/08/582860708.db2.gz AUAQHDNGQNTLOQ-OLZOCXBDSA-N 0 0 232.323 3.688 20 30 BHEDRN C=C[C@@H](C)OC(=O)CC[C@H](C)c1ccccc1 ZINC000781578373 582860605 /nfs/dbraw/zinc/86/06/05/582860605.db2.gz AUAQHDNGQNTLOQ-QWHCGFSZSA-N 0 0 232.323 3.688 20 30 BHEDRN C=C[C@H](C)OC(=O)CC[C@H](C)c1ccccc1 ZINC000781578374 582860689 /nfs/dbraw/zinc/86/06/89/582860689.db2.gz AUAQHDNGQNTLOQ-STQMWFEESA-N 0 0 232.323 3.688 20 30 BHEDRN C=C[C@@H](C)OC(=O)[C@H](C)CCC(C)(C)C ZINC000781578480 585799408 /nfs/dbraw/zinc/79/94/08/585799408.db2.gz CUQGOFOPLUZMGZ-GHMZBOCLSA-N 0 0 212.333 3.567 20 30 BHEDRN C=C[C@H](C)OC(=O)[C@H](C)CCC(C)(C)C ZINC000781578481 585799430 /nfs/dbraw/zinc/79/94/30/585799430.db2.gz CUQGOFOPLUZMGZ-MNOVXSKESA-N 0 0 212.333 3.567 20 30 BHEDRN C=C[C@H](C)OC(=O)[C@@H](C)CCC(C)(C)C ZINC000781578482 585799516 /nfs/dbraw/zinc/79/95/16/585799516.db2.gz CUQGOFOPLUZMGZ-QWRGUYRKSA-N 0 0 212.333 3.567 20 30 BHEDRN C=C[C@@H](C)OC(=O)[C@@H](C)CCC(C)(C)C ZINC000781578483 585799476 /nfs/dbraw/zinc/79/94/76/585799476.db2.gz CUQGOFOPLUZMGZ-WDEREUQCSA-N 0 0 212.333 3.567 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1oc2ccc(F)cc2c1C ZINC000781578579 585799528 /nfs/dbraw/zinc/79/95/28/585799528.db2.gz FITRJCPCXBPKDD-MRVPVSSYSA-N 0 0 248.253 3.612 20 30 BHEDRN C=C[C@H](C)OC(=O)c1oc2ccc(F)cc2c1C ZINC000781578580 585799493 /nfs/dbraw/zinc/79/94/93/585799493.db2.gz FITRJCPCXBPKDD-QMMMGPOBSA-N 0 0 248.253 3.612 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1cccc2ccsc21 ZINC000781579008 582861170 /nfs/dbraw/zinc/86/11/70/582861170.db2.gz VEDMVERXONRHOV-SECBINFHSA-N 0 0 232.304 3.633 20 30 BHEDRN C=C[C@H](C)OC(=O)c1cccc2ccsc21 ZINC000781579009 582860977 /nfs/dbraw/zinc/86/09/77/582860977.db2.gz VEDMVERXONRHOV-VIFPVBQESA-N 0 0 232.304 3.633 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1ccc2[nH]c(C)c(C)c2c1 ZINC000781579018 582860995 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ZINC000782228117 585812509 /nfs/dbraw/zinc/81/25/09/585812509.db2.gz WAOSFCGEFAJGLF-UHFFFAOYSA-N 0 0 248.301 3.622 20 30 BHEDRN COc1ccc(N=NCCC(C)C)cc1Cl ZINC000782229350 585812698 /nfs/dbraw/zinc/81/26/98/585812698.db2.gz GLROXBCDGRKOKB-UHFFFAOYSA-N 0 0 240.734 3.792 20 30 BHEDRN CCC(C)N=Nc1ccc(OC)c(Cl)c1 ZINC000782229455 585812590 /nfs/dbraw/zinc/81/25/90/585812590.db2.gz IFMNPHINCLOVKH-UHFFFAOYSA-N 0 0 226.707 3.546 20 30 BHEDRN COc1ccc(N=NC(C)C(C)C)cc1Cl ZINC000782230198 585812904 /nfs/dbraw/zinc/81/29/04/585812904.db2.gz FBJCANCYFORUGY-UHFFFAOYSA-N 0 0 240.734 3.792 20 30 BHEDRN CCCCN=Nc1ccc(OC)c(Cl)c1 ZINC000782230352 585812897 /nfs/dbraw/zinc/81/28/97/585812897.db2.gz MQFVZUIICWOBRL-UHFFFAOYSA-N 0 0 226.707 3.546 20 30 BHEDRN COc1ccc(N=NCC(C)(C)C)cc1Cl ZINC000782230932 585812907 /nfs/dbraw/zinc/81/29/07/585812907.db2.gz JDDRHBFLDBGNJE-UHFFFAOYSA-N 0 0 240.734 3.792 20 30 BHEDRN COc1ccc(N=NC2CCCC2)cc1Cl ZINC000782231099 585812915 /nfs/dbraw/zinc/81/29/15/585812915.db2.gz RLPCJJPENPLYID-UHFFFAOYSA-N 0 0 238.718 3.691 20 30 BHEDRN CC[C@@H](C)CN=Nc1ccc(OC)c(Cl)c1 ZINC000782231364 585812767 /nfs/dbraw/zinc/81/27/67/585812767.db2.gz LBROJAPVKYKZII-SECBINFHSA-N 0 0 240.734 3.792 20 30 BHEDRN CC[C@H](C)CN=Nc1ccc(OC)c(Cl)c1 ZINC000782231368 585812912 /nfs/dbraw/zinc/81/29/12/585812912.db2.gz LBROJAPVKYKZII-VIFPVBQESA-N 0 0 240.734 3.792 20 30 BHEDRN CCC(CC)N=Nc1ccc(OC)c(Cl)c1 ZINC000782231530 585812798 /nfs/dbraw/zinc/81/27/98/585812798.db2.gz MXKBDGDIROFXFD-UHFFFAOYSA-N 0 0 240.734 3.937 20 30 BHEDRN CCCCCN=Nc1ccc(OC)c(Cl)c1 ZINC000782232660 585812809 /nfs/dbraw/zinc/81/28/09/585812809.db2.gz SSQQTLPUVBSOTC-UHFFFAOYSA-N 0 0 240.734 3.937 20 30 BHEDRN CCCC(C)N=Nc1ccc(OC)c(Cl)c1 ZINC000782232683 585812922 /nfs/dbraw/zinc/81/29/22/585812922.db2.gz WLFAKGKJVXZWHY-UHFFFAOYSA-N 0 0 240.734 3.937 20 30 BHEDRN CCC(CC)NN=Cc1sccc1Cl ZINC000782233205 585812726 /nfs/dbraw/zinc/81/27/26/585812726.db2.gz VVSHLSHWCUGCBB-UHFFFAOYSA-N 0 0 230.764 3.514 20 30 BHEDRN CCC(CC)NN=Cc1cc(Cl)cs1 ZINC000782233230 585812721 /nfs/dbraw/zinc/81/27/21/585812721.db2.gz WHGFMZNQOBJOLH-UHFFFAOYSA-N 0 0 230.764 3.514 20 30 BHEDRN CCC(CC)NN=C(C)[C@H](OC)c1ccccc1 ZINC000782233296 585812825 /nfs/dbraw/zinc/81/28/25/585812825.db2.gz YMXVKQHNTJYEDL-HNNXBMFYSA-N 0 0 248.370 3.528 20 30 BHEDRN CCC(CC)NN=C(C)[C@@H](OC)c1ccccc1 ZINC000782233297 585812801 /nfs/dbraw/zinc/81/28/01/585812801.db2.gz YMXVKQHNTJYEDL-OAHLLOKOSA-N 0 0 248.370 3.528 20 30 BHEDRN CC1(CN=Nc2ccc(C(F)(F)F)cc2)CC1 ZINC000782252790 585813050 /nfs/dbraw/zinc/81/30/50/585813050.db2.gz NXXVKXMHCQAODR-UHFFFAOYSA-N 0 0 242.244 3.903 20 30 BHEDRN CC1(C=NOc2ccccc2C(F)(F)F)CC1 ZINC000782253998 585813266 /nfs/dbraw/zinc/81/32/66/585813266.db2.gz LDLZVTDSBLUZPB-UHFFFAOYSA-N 0 0 243.228 3.870 20 30 BHEDRN C(=NOC1CCCC1)c1ccc2cnccc2c1 ZINC000782266974 585813472 /nfs/dbraw/zinc/81/34/72/585813472.db2.gz GWPKPVYUWCHNAF-UHFFFAOYSA-N 0 0 240.306 3.528 20 30 BHEDRN CC(C)(C)CCNN=Cc1sccc1Cl ZINC000782267665 585813376 /nfs/dbraw/zinc/81/33/76/585813376.db2.gz HDIXVNGUBPHLLL-UHFFFAOYSA-N 0 0 244.791 3.761 20 30 BHEDRN Clc1csc(C=NOC2CCCC2)c1 ZINC000782267869 585813503 /nfs/dbraw/zinc/81/35/03/585813503.db2.gz LYWBRPJVBLZWSA-UHFFFAOYSA-N 0 0 229.732 3.695 20 30 BHEDRN CO[C@@H](C(C)=NOC1CCCC1)c1ccccc1 ZINC000782268075 585813527 /nfs/dbraw/zinc/81/35/27/585813527.db2.gz MRUYVTIOWWHOEZ-HNNXBMFYSA-N 0 0 247.338 3.709 20 30 BHEDRN CO[C@H](C(C)=NOC1CCCC1)c1ccccc1 ZINC000782268080 585813507 /nfs/dbraw/zinc/81/35/07/585813507.db2.gz MRUYVTIOWWHOEZ-OAHLLOKOSA-N 0 0 247.338 3.709 20 30 BHEDRN Cc1cc2ccccc2nc1N=NCC1(C)CC1 ZINC000782268568 585813540 /nfs/dbraw/zinc/81/35/40/585813540.db2.gz RHHUUMKPHIGNQC-UHFFFAOYSA-N 0 0 239.322 3.741 20 30 BHEDRN Clc1ccsc1C=NOC1CCCC1 ZINC000782268717 585813355 /nfs/dbraw/zinc/81/33/55/585813355.db2.gz RXWJAPFYPVYDIB-UHFFFAOYSA-N 0 0 229.732 3.695 20 30 BHEDRN CC(C)(C)CCNN=Cc1cc(Cl)cs1 ZINC000782269812 585813440 /nfs/dbraw/zinc/81/34/40/585813440.db2.gz VFAHIZMUNNAVCR-UHFFFAOYSA-N 0 0 244.791 3.761 20 30 BHEDRN COc1ccc(N=NCC2(C)CC2)cc1Cl ZINC000782269942 585813435 /nfs/dbraw/zinc/81/34/35/585813435.db2.gz YENKEWKCKLDIRC-UHFFFAOYSA-N 0 0 238.718 3.546 20 30 BHEDRN CCC(CC)CNN=Cc1sccc1Cl ZINC000782271601 582873322 /nfs/dbraw/zinc/87/33/22/582873322.db2.gz HKWRFMCWQYLSHQ-UHFFFAOYSA-N 0 0 244.791 3.761 20 30 BHEDRN CC1(CN=Nc2c(F)cccc2Cl)CC1 ZINC000782272360 585813770 /nfs/dbraw/zinc/81/37/70/585813770.db2.gz OWYXACMEMLHWIK-UHFFFAOYSA-N 0 0 226.682 3.677 20 30 BHEDRN C=CCCCC(=O)OCc1cc(F)ccc1C ZINC000782280986 585813668 /nfs/dbraw/zinc/81/36/68/585813668.db2.gz PHGBJGQDFFYNAX-UHFFFAOYSA-N 0 0 236.286 3.534 20 30 BHEDRN Clc1ccsc1C=NNC1CCCCC1 ZINC000782281722 585813622 /nfs/dbraw/zinc/81/36/22/585813622.db2.gz FALRSVUXTWWMEI-UHFFFAOYSA-N 0 0 242.775 3.658 20 30 BHEDRN Clc1csc(C=NNC2CCCCC2)c1 ZINC000782282655 585813635 /nfs/dbraw/zinc/81/36/35/585813635.db2.gz IVPXSGKSOKKFQA-UHFFFAOYSA-N 0 0 242.775 3.658 20 30 BHEDRN CC1(C)CCC(=NN[C@@H]2CCCC2(C)C)C1 ZINC000782285557 585814009 /nfs/dbraw/zinc/81/40/09/585814009.db2.gz BHCWCNFHAOUSSY-GFCCVEGCSA-N 0 0 222.376 3.721 20 30 BHEDRN CC1(C)CCC(=NN[C@H]2CCCC2(C)C)C1 ZINC000782285561 585813898 /nfs/dbraw/zinc/81/38/98/585813898.db2.gz BHCWCNFHAOUSSY-LBPRGKRZSA-N 0 0 222.376 3.721 20 30 BHEDRN Cc1ccc(F)c(C=NN[C@H]2CCCC2(C)C)c1 ZINC000782286911 585813884 /nfs/dbraw/zinc/81/38/84/585813884.db2.gz HLWXJGAGKBZKPA-AWEZNQCLSA-N 0 0 248.345 3.636 20 30 BHEDRN Cc1ccc(F)c(C=NN[C@@H]2CCCC2(C)C)c1 ZINC000782286913 585813909 /nfs/dbraw/zinc/81/39/09/585813909.db2.gz HLWXJGAGKBZKPA-CQSZACIVSA-N 0 0 248.345 3.636 20 30 BHEDRN CC(CC1CCC1)=NN[C@@H]1CCCC1(C)C ZINC000782287004 585813945 /nfs/dbraw/zinc/81/39/45/585813945.db2.gz IRBJYLZRKWHXLO-CYBMUJFWSA-N 0 0 222.376 3.721 20 30 BHEDRN CC(CC1CCC1)=NN[C@H]1CCCC1(C)C ZINC000782287007 585813849 /nfs/dbraw/zinc/81/38/49/585813849.db2.gz IRBJYLZRKWHXLO-ZDUSSCGKSA-N 0 0 222.376 3.721 20 30 BHEDRN CC1(C)CCCC1=NN[C@@H]1CCCC1(C)C ZINC000782287152 585813987 /nfs/dbraw/zinc/81/39/87/585813987.db2.gz KGYMYVKUWCFLFZ-LLVKDONJSA-N 0 0 222.376 3.721 20 30 BHEDRN CC1(C)CCCC1=NN[C@H]1CCCC1(C)C ZINC000782287153 585813988 /nfs/dbraw/zinc/81/39/88/585813988.db2.gz KGYMYVKUWCFLFZ-NSHDSACASA-N 0 0 222.376 3.721 20 30 BHEDRN CC1(C)CCC[C@H]1NN=C1CCC12CCCC2 ZINC000782287739 585814190 /nfs/dbraw/zinc/81/41/90/585814190.db2.gz NYXKDBOCYIUFCZ-GFCCVEGCSA-N 0 0 234.387 3.865 20 30 BHEDRN CC1(C)CCC[C@@H]1NN=C1CCC12CCCC2 ZINC000782287752 585814237 /nfs/dbraw/zinc/81/42/37/585814237.db2.gz NYXKDBOCYIUFCZ-LBPRGKRZSA-N 0 0 234.387 3.865 20 30 BHEDRN CCCC(CC)=NN[C@@H]1CCCC1(C)C ZINC000782288337 585814058 /nfs/dbraw/zinc/81/40/58/585814058.db2.gz PIMMJBQXAVERBM-GFCCVEGCSA-N 0 0 210.365 3.721 20 30 BHEDRN CCCC(CC)=NN[C@H]1CCCC1(C)C ZINC000782288338 585814026 /nfs/dbraw/zinc/81/40/26/585814026.db2.gz PIMMJBQXAVERBM-LBPRGKRZSA-N 0 0 210.365 3.721 20 30 BHEDRN CC[C@H]1CCCC1=NN[C@H]1CCCC1(C)C ZINC000782288869 585814108 /nfs/dbraw/zinc/81/41/08/585814108.db2.gz SQFGWXYSJMALGT-AAEUAGOBSA-N 0 0 222.376 3.721 20 30 BHEDRN CC[C@@H]1CCCC1=NN[C@@H]1CCCC1(C)C ZINC000782288871 585814092 /nfs/dbraw/zinc/81/40/92/585814092.db2.gz SQFGWXYSJMALGT-DGCLKSJQSA-N 0 0 222.376 3.721 20 30 BHEDRN CC[C@H]1CCCC1=NN[C@@H]1CCCC1(C)C ZINC000782288874 585814239 /nfs/dbraw/zinc/81/42/39/585814239.db2.gz SQFGWXYSJMALGT-WCQYABFASA-N 0 0 222.376 3.721 20 30 BHEDRN CC[C@@H]1CCCC1=NN[C@H]1CCCC1(C)C ZINC000782288876 585814211 /nfs/dbraw/zinc/81/42/11/585814211.db2.gz SQFGWXYSJMALGT-YPMHNXCESA-N 0 0 222.376 3.721 20 30 BHEDRN CC(CCc1ccco1)=NN[C@H]1CCCC1(C)C ZINC000782289255 585814175 /nfs/dbraw/zinc/81/41/75/585814175.db2.gz UBXRUCJJKCMQLR-AWEZNQCLSA-N 0 0 248.370 3.756 20 30 BHEDRN CC(CCc1ccco1)=NN[C@@H]1CCCC1(C)C ZINC000782289260 585814230 /nfs/dbraw/zinc/81/42/30/585814230.db2.gz UBXRUCJJKCMQLR-CQSZACIVSA-N 0 0 248.370 3.756 20 30 BHEDRN Cc1ccsc1C=NN[C@@H]1CCCC1(C)C ZINC000782289365 585814247 /nfs/dbraw/zinc/81/42/47/585814247.db2.gz WWNYRUDDVIRMCU-GFCCVEGCSA-N 0 0 236.384 3.559 20 30 BHEDRN Cc1ccsc1C=NN[C@H]1CCCC1(C)C ZINC000782289372 585814264 /nfs/dbraw/zinc/81/42/64/585814264.db2.gz WWNYRUDDVIRMCU-LBPRGKRZSA-N 0 0 236.384 3.559 20 30 BHEDRN CC1(C)CCC[C@H]1NN=C1CCCCCC1 ZINC000782289696 585814070 /nfs/dbraw/zinc/81/40/70/585814070.db2.gz VLRBMWRKCQKDLB-CYBMUJFWSA-N 0 0 222.376 3.865 20 30 BHEDRN CC1(C)CCC[C@@H]1NN=C1CCCCCC1 ZINC000782289697 585814276 /nfs/dbraw/zinc/81/42/76/585814276.db2.gz VLRBMWRKCQKDLB-ZDUSSCGKSA-N 0 0 222.376 3.865 20 30 BHEDRN Cc1ccc(F)cc1C=NN[C@H]1CCCC1(C)C ZINC000782289753 585814221 /nfs/dbraw/zinc/81/42/21/585814221.db2.gz XIXKFXFBUBVZBH-AWEZNQCLSA-N 0 0 248.345 3.636 20 30 BHEDRN Cc1ccc(F)cc1C=NN[C@@H]1CCCC1(C)C ZINC000782289755 585814054 /nfs/dbraw/zinc/81/40/54/585814054.db2.gz XIXKFXFBUBVZBH-CQSZACIVSA-N 0 0 248.345 3.636 20 30 BHEDRN C=CCCC(=NN[C@H]1CCCC1(C)C)C1CC1 ZINC000782289786 585814093 /nfs/dbraw/zinc/81/40/93/585814093.db2.gz VVNLSRSVXIRICY-AWEZNQCLSA-N 0 0 234.387 3.887 20 30 BHEDRN C=CCCC(=NN[C@@H]1CCCC1(C)C)C1CC1 ZINC000782289787 585814271 /nfs/dbraw/zinc/81/42/71/585814271.db2.gz VVNLSRSVXIRICY-CQSZACIVSA-N 0 0 234.387 3.887 20 30 BHEDRN CC1(C)CCC[C@H]1NN=C1CCC2(CC2)CC1 ZINC000782289840 585814246 /nfs/dbraw/zinc/81/42/46/585814246.db2.gz WBTWLLBSKZARAI-CYBMUJFWSA-N 0 0 234.387 3.865 20 30 BHEDRN CC1(C)CCC[C@@H]1NN=C1CCC2(CC2)CC1 ZINC000782289845 585814205 /nfs/dbraw/zinc/81/42/05/585814205.db2.gz WBTWLLBSKZARAI-ZDUSSCGKSA-N 0 0 234.387 3.865 20 30 BHEDRN Cc1ccc(C=NN[C@@H]2CCCC2(C)C)s1 ZINC000782298880 585814278 /nfs/dbraw/zinc/81/42/78/585814278.db2.gz DHTXHKOIJUIPKS-GFCCVEGCSA-N 0 0 236.384 3.559 20 30 BHEDRN Cc1ccc(C=NN[C@H]2CCCC2(C)C)s1 ZINC000782298882 585814348 /nfs/dbraw/zinc/81/43/48/585814348.db2.gz DHTXHKOIJUIPKS-LBPRGKRZSA-N 0 0 236.384 3.559 20 30 BHEDRN C=CCCC(CC)=NN[C@@H]1CCCC1(C)C ZINC000782299091 585814302 /nfs/dbraw/zinc/81/43/02/585814302.db2.gz FRYDGMOPQVUTQU-CYBMUJFWSA-N 0 0 222.376 3.887 20 30 BHEDRN C=CCCC(CC)=NN[C@H]1CCCC1(C)C ZINC000782299094 585814466 /nfs/dbraw/zinc/81/44/66/585814466.db2.gz FRYDGMOPQVUTQU-ZDUSSCGKSA-N 0 0 222.376 3.887 20 30 BHEDRN C[C@H]1CCCCC1=NN[C@H]1CCCC1(C)C ZINC000782299448 585814491 /nfs/dbraw/zinc/81/44/91/585814491.db2.gz GDHUCPCIIYJCLL-AAEUAGOBSA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@@H]1CCCCC1=NN[C@@H]1CCCC1(C)C ZINC000782299450 585814340 /nfs/dbraw/zinc/81/43/40/585814340.db2.gz GDHUCPCIIYJCLL-DGCLKSJQSA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@H]1CCCCC1=NN[C@@H]1CCCC1(C)C ZINC000782299452 585814446 /nfs/dbraw/zinc/81/44/46/585814446.db2.gz GDHUCPCIIYJCLL-WCQYABFASA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@@H]1CCCCC1=NN[C@H]1CCCC1(C)C ZINC000782299453 585814489 /nfs/dbraw/zinc/81/44/89/585814489.db2.gz GDHUCPCIIYJCLL-YPMHNXCESA-N 0 0 222.376 3.721 20 30 BHEDRN CC(=NN[C@@H]1CCCC1(C)C)c1ccsc1 ZINC000782299847 585814301 /nfs/dbraw/zinc/81/43/01/585814301.db2.gz JKZUHYKXYRRDPJ-GFCCVEGCSA-N 0 0 236.384 3.640 20 30 BHEDRN CC(=NN[C@H]1CCCC1(C)C)c1ccsc1 ZINC000782299849 585814328 /nfs/dbraw/zinc/81/43/28/585814328.db2.gz JKZUHYKXYRRDPJ-LBPRGKRZSA-N 0 0 236.384 3.640 20 30 BHEDRN CC(=NN[C@@H]1CCCC1(C)C)C1CCCC1 ZINC000782300001 585814304 /nfs/dbraw/zinc/81/43/04/585814304.db2.gz KICBOMKFXBDJFX-CYBMUJFWSA-N 0 0 222.376 3.721 20 30 BHEDRN CC(=NN[C@H]1CCCC1(C)C)C1CCCC1 ZINC000782300003 585814394 /nfs/dbraw/zinc/81/43/94/585814394.db2.gz KICBOMKFXBDJFX-ZDUSSCGKSA-N 0 0 222.376 3.721 20 30 BHEDRN Cc1cccc(C)c1C=NN[C@H]1CCCC1(C)C ZINC000782300906 585814461 /nfs/dbraw/zinc/81/44/61/585814461.db2.gz MWIXWIVWFJDPPA-HNNXBMFYSA-N 0 0 244.382 3.806 20 30 BHEDRN Cc1cccc(C)c1C=NN[C@@H]1CCCC1(C)C ZINC000782300908 585814371 /nfs/dbraw/zinc/81/43/71/585814371.db2.gz MWIXWIVWFJDPPA-OAHLLOKOSA-N 0 0 244.382 3.806 20 30 BHEDRN CCC(CC)CN=N[C@@H]1CCCC1(C)C ZINC000782300985 585814280 /nfs/dbraw/zinc/81/42/80/585814280.db2.gz NHGUATBNQZETDC-GFCCVEGCSA-N 0 0 210.365 3.577 20 30 BHEDRN CCC(C=NN[C@H]1CCCC1(C)C)CC ZINC000782300986 585814476 /nfs/dbraw/zinc/81/44/76/585814476.db2.gz NHGUATBNQZETDC-LBPRGKRZSA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@H]1CCCC(=NN[C@H]2CCCC2(C)C)C1 ZINC000782301002 585814305 /nfs/dbraw/zinc/81/43/05/585814305.db2.gz NLRJANXEWUQDSN-AAEUAGOBSA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@@H]1CCCC(=NN[C@@H]2CCCC2(C)C)C1 ZINC000782301004 585814288 /nfs/dbraw/zinc/81/42/88/585814288.db2.gz NLRJANXEWUQDSN-DGCLKSJQSA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@H]1CCCC(=NN[C@@H]2CCCC2(C)C)C1 ZINC000782301005 585814362 /nfs/dbraw/zinc/81/43/62/585814362.db2.gz NLRJANXEWUQDSN-WCQYABFASA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@@H]1CCCC(=NN[C@H]2CCCC2(C)C)C1 ZINC000782301007 585814355 /nfs/dbraw/zinc/81/43/55/585814355.db2.gz NLRJANXEWUQDSN-YPMHNXCESA-N 0 0 222.376 3.721 20 30 BHEDRN CC1CCC(=NN[C@@H]2CCCC2(C)C)CC1 ZINC000782302833 585814598 /nfs/dbraw/zinc/81/45/98/585814598.db2.gz USAAJLFDACZRPD-GLGOKHISSA-N 0 0 222.376 3.721 20 30 BHEDRN CC1CCC(=NN[C@H]2CCCC2(C)C)CC1 ZINC000782302834 585814552 /nfs/dbraw/zinc/81/45/52/585814552.db2.gz USAAJLFDACZRPD-YUZLPWPTSA-N 0 0 222.376 3.721 20 30 BHEDRN CC(C)C(=NN[C@@H]1CCCC1(C)C)C1CC1 ZINC000782302866 585814657 /nfs/dbraw/zinc/81/46/57/585814657.db2.gz VANWEOQIEDTPPT-GFCCVEGCSA-N 0 0 222.376 3.577 20 30 BHEDRN CC(C)C(=NN[C@H]1CCCC1(C)C)C1CC1 ZINC000782302867 585814527 /nfs/dbraw/zinc/81/45/27/585814527.db2.gz VANWEOQIEDTPPT-LBPRGKRZSA-N 0 0 222.376 3.577 20 30 BHEDRN Cc1cc(F)ccc1C=NN[C@H]1CCCC1(C)C ZINC000782303466 585814612 /nfs/dbraw/zinc/81/46/12/585814612.db2.gz WTHOOFRTMXMZOY-AWEZNQCLSA-N 0 0 248.345 3.636 20 30 BHEDRN Cc1cc(F)ccc1C=NN[C@@H]1CCCC1(C)C ZINC000782303468 585814502 /nfs/dbraw/zinc/81/45/02/585814502.db2.gz WTHOOFRTMXMZOY-CQSZACIVSA-N 0 0 248.345 3.636 20 30 BHEDRN CC(=NN[C@@H]1CCCC1(C)C)c1cccs1 ZINC000782303792 585814532 /nfs/dbraw/zinc/81/45/32/585814532.db2.gz ZRZHBPCATRINQN-GFCCVEGCSA-N 0 0 236.384 3.640 20 30 BHEDRN CC(=NN[C@H]1CCCC1(C)C)c1cccs1 ZINC000782303793 585814560 /nfs/dbraw/zinc/81/45/60/585814560.db2.gz ZRZHBPCATRINQN-LBPRGKRZSA-N 0 0 236.384 3.640 20 30 BHEDRN 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ZINC000782908320 633030700 /nfs/dbraw/zinc/03/07/00/633030700.db2.gz UQILJIOXDZWHJR-UHFFFAOYSA-N 0 0 212.381 3.968 20 30 BHEDRN Cc1cccc(C=NNCCC(C)(C)C)c1C ZINC000782908807 585826097 /nfs/dbraw/zinc/82/60/97/585826097.db2.gz ZWRUKVTTXBNYTH-UHFFFAOYSA-N 0 0 232.371 3.663 20 30 BHEDRN CCCCCCCCO[C@H](C)Cc1ncc[nH]1 ZINC000782914073 585826164 /nfs/dbraw/zinc/82/61/64/585826164.db2.gz YZRFDGVCGABNSR-CYBMUJFWSA-N 0 0 238.375 3.718 20 30 BHEDRN CCCCCCCCO[C@@H](C)Cc1ncc[nH]1 ZINC000782914075 585826151 /nfs/dbraw/zinc/82/61/51/585826151.db2.gz YZRFDGVCGABNSR-ZDUSSCGKSA-N 0 0 238.375 3.718 20 30 BHEDRN C#CCCCSc1cccc(Cl)c1C#N ZINC000782919431 585826421 /nfs/dbraw/zinc/82/64/21/585826421.db2.gz PANXSOYHAROIQM-UHFFFAOYSA-N 0 0 235.739 3.717 20 30 BHEDRN C#CCCCSCCCc1ccsc1 ZINC000782947407 585826401 /nfs/dbraw/zinc/82/64/01/585826401.db2.gz KZQADBYVEMDVNY-UHFFFAOYSA-N 0 0 224.394 3.827 20 30 BHEDRN CCCCCCC(=O)OCCCC(C)(C)C#N ZINC000782988179 644748899 /nfs/dbraw/zinc/74/88/99/644748899.db2.gz UYTKVUJGBMJORD-UHFFFAOYSA-N 0 0 239.359 3.830 20 30 BHEDRN C=CCCCCCOC(=O)CCC(C)(F)F ZINC000783006595 585826842 /nfs/dbraw/zinc/82/68/42/585826842.db2.gz MFVNKFAENONWQE-UHFFFAOYSA-N 0 0 234.286 3.711 20 30 BHEDRN C=CCCCCCOC(=O)c1ccc(C)nc1C ZINC000783081423 585827551 /nfs/dbraw/zinc/82/75/51/585827551.db2.gz UORUQFQILKZJII-UHFFFAOYSA-N 0 0 247.338 3.602 20 30 BHEDRN C=CCCCCCSC(=S)N1CCCC1 ZINC000783094182 585827844 /nfs/dbraw/zinc/82/78/44/585827844.db2.gz SETBGCKJNRAFHO-UHFFFAOYSA-N 0 0 243.441 3.847 20 30 BHEDRN C=C(C)CCOC(=O)c1cc2cc(F)ccc2o1 ZINC000783099179 585827876 /nfs/dbraw/zinc/82/78/76/585827876.db2.gz RGUWEMPNOTVSQP-UHFFFAOYSA-N 0 0 248.253 3.695 20 30 BHEDRN C=C(C)CCOC(=O)c1cc2cccc(F)c2o1 ZINC000783104469 585827763 /nfs/dbraw/zinc/82/77/63/585827763.db2.gz IATREJMNNNZUDR-UHFFFAOYSA-N 0 0 248.253 3.695 20 30 BHEDRN C=CCCCCCSc1nccn1CC ZINC000783111113 585827931 /nfs/dbraw/zinc/82/79/31/585827931.db2.gz IWTPYTNLANMUTC-UHFFFAOYSA-N 0 0 224.373 3.742 20 30 BHEDRN C=CCCCCCOc1cccc(OC)c1C=O ZINC000783111362 585828068 /nfs/dbraw/zinc/82/80/68/585828068.db2.gz QNIVBBCMHMUBHN-UHFFFAOYSA-N 0 0 248.322 3.633 20 30 BHEDRN C=CCCCCCSc1ccc(Cl)nn1 ZINC000783113650 585828006 /nfs/dbraw/zinc/82/80/06/585828006.db2.gz SJGIVCMAKNBGFI-UHFFFAOYSA-N 0 0 242.775 3.969 20 30 BHEDRN Cc1cc(CSc2nccs2)ccc1C#N ZINC000783127118 585828164 /nfs/dbraw/zinc/82/81/64/585828164.db2.gz SCUOUTNZMAJSTF-UHFFFAOYSA-N 0 0 246.360 3.616 20 30 BHEDRN C=C[C@@H](CC)OC(=O)c1cc2cccc(F)c2o1 ZINC000783127471 585828257 /nfs/dbraw/zinc/82/82/57/585828257.db2.gz YQFYFTZRLUUIHD-JTQLQIEISA-N 0 0 248.253 3.693 20 30 BHEDRN C=C[C@H](CC)OC(=O)c1cc2cccc(F)c2o1 ZINC000783127472 585828243 /nfs/dbraw/zinc/82/82/43/585828243.db2.gz YQFYFTZRLUUIHD-SNVBAGLBSA-N 0 0 248.253 3.693 20 30 BHEDRN C=C(C)[C@@H](C)OC(=O)c1cc2cccc(F)c2o1 ZINC000783133035 585828263 /nfs/dbraw/zinc/82/82/63/585828263.db2.gz CGXFMBHFXSYVRZ-SECBINFHSA-N 0 0 248.253 3.693 20 30 BHEDRN C=C(C)[C@H](C)OC(=O)c1cc2cccc(F)c2o1 ZINC000783133037 585828266 /nfs/dbraw/zinc/82/82/66/585828266.db2.gz CGXFMBHFXSYVRZ-VIFPVBQESA-N 0 0 248.253 3.693 20 30 BHEDRN CC(C)(C#N)CCCOC(=O)C=C1CCCCC1 ZINC000783138760 585828505 /nfs/dbraw/zinc/82/85/05/585828505.db2.gz RUIJWIRZTBTFNO-UHFFFAOYSA-N 0 0 249.354 3.750 20 30 BHEDRN C=CCCCCCOC(=O)C1(C#N)CCCCC1 ZINC000783173525 585828892 /nfs/dbraw/zinc/82/88/92/585828892.db2.gz BLACEVWVJHFBDL-UHFFFAOYSA-N 0 0 249.354 3.750 20 30 BHEDRN CCC/C(C)=C\C(=O)OCCCC(C)(C)C#N ZINC000783177557 585829119 /nfs/dbraw/zinc/82/91/19/585829119.db2.gz MJZKGQANXPJHJD-BENRWUELSA-N 0 0 237.343 3.606 20 30 BHEDRN CCC/C(C)=C/C(=O)OCCCC(C)(C)C#N ZINC000783177558 585829135 /nfs/dbraw/zinc/82/91/35/585829135.db2.gz MJZKGQANXPJHJD-ZRDIBKRKSA-N 0 0 237.343 3.606 20 30 BHEDRN C=CCCCOC(=O)CCCc1ccsc1 ZINC000783264273 585831589 /nfs/dbraw/zinc/83/15/89/585831589.db2.gz QAOWOHMCWKFGQP-UHFFFAOYSA-N 0 0 238.352 3.580 20 30 BHEDRN C=C(CC)COC(=O)CCCc1ccsc1 ZINC000783265621 585832582 /nfs/dbraw/zinc/83/25/82/585832582.db2.gz ZMWOSMYMWAKJMY-UHFFFAOYSA-N 0 0 238.352 3.580 20 30 BHEDRN C=CCCOC(=O)c1ccc(C)c(C)c1Cl ZINC000783273696 585832787 /nfs/dbraw/zinc/83/27/87/585832787.db2.gz PHZBCZLBHKRJKO-UHFFFAOYSA-N 0 0 238.714 3.690 20 30 BHEDRN C#CCCNc1ccc(-c2ccco2)cc1F ZINC000783301831 585833316 /nfs/dbraw/zinc/83/33/16/585833316.db2.gz NRWLFFKMKAFSTD-UHFFFAOYSA-N 0 0 229.254 3.521 20 30 BHEDRN C#CCCCNc1ccc(-c2ccco2)cc1F ZINC000783302418 585833217 /nfs/dbraw/zinc/83/32/17/585833217.db2.gz VNSXYQVCEJVOOT-UHFFFAOYSA-N 0 0 243.281 3.911 20 30 BHEDRN C=CCCCCCOC(=O)c1sccc1C#N ZINC000783316927 585833610 /nfs/dbraw/zinc/83/36/10/585833610.db2.gz RORZFVMYPTYPMB-UHFFFAOYSA-N 0 0 249.335 3.523 20 30 BHEDRN CCC[C@@H](C)CC(=O)OCCCC(C)(C)C#N ZINC000783322056 585833584 /nfs/dbraw/zinc/83/35/84/585833584.db2.gz OKJLLOVPUARRDW-GFCCVEGCSA-N 0 0 239.359 3.686 20 30 BHEDRN CCC[C@H](C)CC(=O)OCCCC(C)(C)C#N ZINC000783322057 585833589 /nfs/dbraw/zinc/83/35/89/585833589.db2.gz OKJLLOVPUARRDW-LBPRGKRZSA-N 0 0 239.359 3.686 20 30 BHEDRN C=C(C)CCOC(=O)CCCc1ccsc1 ZINC000783393078 585834542 /nfs/dbraw/zinc/83/45/42/585834542.db2.gz NCYBMJONOGLRBE-UHFFFAOYSA-N 0 0 238.352 3.580 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)[C@@H]1CCCCS1 ZINC000783421388 585834834 /nfs/dbraw/zinc/83/48/34/585834834.db2.gz UOYJVDHLZCJTFP-NEPJUHHUSA-N 0 0 242.384 3.560 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)[C@H]1CCCCS1 ZINC000783421389 585834854 /nfs/dbraw/zinc/83/48/54/585834854.db2.gz UOYJVDHLZCJTFP-NWDGAFQWSA-N 0 0 242.384 3.560 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)[C@@H]1CCCCS1 ZINC000783421391 585834916 /nfs/dbraw/zinc/83/49/16/585834916.db2.gz UOYJVDHLZCJTFP-RYUDHWBXSA-N 0 0 242.384 3.560 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)[C@H]1CCCCS1 ZINC000783421392 585835030 /nfs/dbraw/zinc/83/50/30/585835030.db2.gz UOYJVDHLZCJTFP-VXGBXAGGSA-N 0 0 242.384 3.560 20 30 BHEDRN C=C[C@H](CC)OC(=O)CCCc1ccsc1 ZINC000783428950 585834844 /nfs/dbraw/zinc/83/48/44/585834844.db2.gz LCHGUBZPYAUZDS-GFCCVEGCSA-N 0 0 238.352 3.579 20 30 BHEDRN C=C[C@@H](CC)OC(=O)CCCc1ccsc1 ZINC000783428951 585835025 /nfs/dbraw/zinc/83/50/25/585835025.db2.gz LCHGUBZPYAUZDS-LBPRGKRZSA-N 0 0 238.352 3.579 20 30 BHEDRN C=CCCSCc1ccc(N(C)C)cc1 ZINC000783460070 644755913 /nfs/dbraw/zinc/75/59/13/644755913.db2.gz DJXUXCLZHGBTLI-UHFFFAOYSA-N 0 0 221.369 3.562 20 30 BHEDRN C=C(C)CSCc1ccc(N(C)C)cc1 ZINC000783462434 644755592 /nfs/dbraw/zinc/75/55/92/644755592.db2.gz UTJBTLWBUXRUEJ-UHFFFAOYSA-N 0 0 221.369 3.562 20 30 BHEDRN C=CCCCCCOC(=O)C[C@H](C)n1cccc1 ZINC000783468952 585835643 /nfs/dbraw/zinc/83/56/43/585835643.db2.gz IFSMBJANUVMZCN-AWEZNQCLSA-N 0 0 249.354 3.729 20 30 BHEDRN C=CCCCCCOC(=O)C[C@@H](C)n1cccc1 ZINC000783468953 585835475 /nfs/dbraw/zinc/83/54/75/585835475.db2.gz IFSMBJANUVMZCN-CQSZACIVSA-N 0 0 249.354 3.729 20 30 BHEDRN C=C(CC)CSCC(=O)OC1CCCCC1 ZINC000783471613 585835644 /nfs/dbraw/zinc/83/56/44/585835644.db2.gz CSSXTFIQYVADAW-UHFFFAOYSA-N 0 0 242.384 3.562 20 30 BHEDRN C=CCCCSCC(=O)OC1CCCCC1 ZINC000783479751 585835540 /nfs/dbraw/zinc/83/55/40/585835540.db2.gz RNGAEAHXTGVJNE-UHFFFAOYSA-N 0 0 242.384 3.562 20 30 BHEDRN C=C(C)CCSCC(=O)OC1CCCCC1 ZINC000783485745 585835495 /nfs/dbraw/zinc/83/54/95/585835495.db2.gz AUKQMJTWHBXEQS-UHFFFAOYSA-N 0 0 242.384 3.562 20 30 BHEDRN Fc1cc(Cl)ccc1C=NNc1ccccc1 ZINC000783511653 585835809 /nfs/dbraw/zinc/83/58/09/585835809.db2.gz UCUPQLKVOGAAHE-UHFFFAOYSA-N 0 0 248.688 3.925 20 30 BHEDRN C=C(Cl)CSCc1ccc(N(C)C)cc1 ZINC000783512730 585835724 /nfs/dbraw/zinc/83/57/24/585835724.db2.gz MCGOJAVIBCZDPZ-UHFFFAOYSA-N 0 0 241.787 3.738 20 30 BHEDRN FC(F)(F)[C@@H]1CCCC(=NNC2CCCC2)C1 ZINC000783512866 585835797 /nfs/dbraw/zinc/83/57/97/585835797.db2.gz HNYQVLCUGZUUHT-SECBINFHSA-N 0 0 248.292 3.627 20 30 BHEDRN FC(F)(F)[C@H]1CCCC(=NNC2CCCC2)C1 ZINC000783512867 585835897 /nfs/dbraw/zinc/83/58/97/585835897.db2.gz HNYQVLCUGZUUHT-VIFPVBQESA-N 0 0 248.292 3.627 20 30 BHEDRN CCC(CC)NN=Cc1ccc(Cl)cc1F ZINC000783516914 644755762 /nfs/dbraw/zinc/75/57/62/644755762.db2.gz QAQIWRHLTIUVLR-UHFFFAOYSA-N 0 0 242.725 3.591 20 30 BHEDRN CCC(=NOCC(F)(F)F)c1cccc(F)c1 ZINC000783522133 644758240 /nfs/dbraw/zinc/75/82/40/644758240.db2.gz KWHYYNIFNKWETQ-UHFFFAOYSA-N 0 0 249.207 3.519 20 30 BHEDRN CCC(=NOCC(C)C)c1cccc(F)c1 ZINC000783522276 644758494 /nfs/dbraw/zinc/75/84/94/644758494.db2.gz NCSUDDGTVDXVSC-UHFFFAOYSA-N 0 0 223.291 3.612 20 30 BHEDRN CC(C)CON=C1CCC[C@@H](C(F)(F)F)C1 ZINC000783522530 644757560 /nfs/dbraw/zinc/75/75/60/644757560.db2.gz SUXWJEQZMJYQGA-SECBINFHSA-N 0 0 237.265 3.768 20 30 BHEDRN CC(C)CON=C1CCC[C@H](C(F)(F)F)C1 ZINC000783522532 644758456 /nfs/dbraw/zinc/75/84/56/644758456.db2.gz SUXWJEQZMJYQGA-VIFPVBQESA-N 0 0 237.265 3.768 20 30 BHEDRN Cc1ccc2cc(C=NOCC(C)C)ccc2n1 ZINC000783522621 585835732 /nfs/dbraw/zinc/83/57/32/585835732.db2.gz VUFIXKHKERRNDO-UHFFFAOYSA-N 0 0 242.322 3.550 20 30 BHEDRN CC(C)(C#N)CCCOC(=O)CC1=CCCCC1 ZINC000783530206 585836170 /nfs/dbraw/zinc/83/61/70/585836170.db2.gz TXOQQCACCMZPAH-UHFFFAOYSA-N 0 0 249.354 3.750 20 30 BHEDRN C[C@@H](CCC#N)SCCSC(C)(C)C ZINC000783550648 585836352 /nfs/dbraw/zinc/83/63/52/585836352.db2.gz BANYHOPZSUQDJH-JTQLQIEISA-N 0 0 231.430 3.944 20 30 BHEDRN C[C@H](CCC#N)SCCSC(C)(C)C ZINC000783550652 585836768 /nfs/dbraw/zinc/83/67/68/585836768.db2.gz BANYHOPZSUQDJH-SNVBAGLBSA-N 0 0 231.430 3.944 20 30 BHEDRN CSc1ccc(C=NOCCC2CC2)cc1 ZINC000783550959 585836669 /nfs/dbraw/zinc/83/66/69/585836669.db2.gz XSAUGFDMLNIRCG-UHFFFAOYSA-N 0 0 235.352 3.559 20 30 BHEDRN CC(C)(C)SCCSCC1(C#N)CC1 ZINC000783551734 585836632 /nfs/dbraw/zinc/83/66/32/585836632.db2.gz PWSXDZYUPFSYHJ-UHFFFAOYSA-N 0 0 229.414 3.555 20 30 BHEDRN CC(C)(C)CCON=Cc1cccs1 ZINC000783552026 585836559 /nfs/dbraw/zinc/83/65/59/585836559.db2.gz BUHHNOGABYXDEJ-UHFFFAOYSA-N 0 0 211.330 3.535 20 30 BHEDRN CC(=NOCCC1CC1)c1cc2ccccc2o1 ZINC000783553129 585836676 /nfs/dbraw/zinc/83/66/76/585836676.db2.gz PNLPYVMDLBDSNR-UHFFFAOYSA-N 0 0 243.306 3.974 20 30 BHEDRN CC(C)Oc1ccccc1C=NOCCC1CC1 ZINC000783553795 585836742 /nfs/dbraw/zinc/83/67/42/585836742.db2.gz YCNLAGBVSCIAGN-UHFFFAOYSA-N 0 0 247.338 3.624 20 30 BHEDRN c1cc2c(s1)CCCC2=NOCCC1CC1 ZINC000783555504 585836679 /nfs/dbraw/zinc/83/66/79/585836679.db2.gz WJRYKYWMXNEFQG-UHFFFAOYSA-N 0 0 235.352 3.605 20 30 BHEDRN CC(C)(C)SCCSCCCCC#N ZINC000783555765 585836736 /nfs/dbraw/zinc/83/67/36/585836736.db2.gz UBGMPKVEALJZOS-UHFFFAOYSA-N 0 0 231.430 3.945 20 30 BHEDRN c1ccc2cc(CCON=C3CCC3)ccc2c1 ZINC000783557044 585836762 /nfs/dbraw/zinc/83/67/62/585836762.db2.gz OHKYASATNKEDJP-UHFFFAOYSA-N 0 0 239.318 3.939 20 30 BHEDRN C#CCCCOc1c(CC=C)cc(C)cc1OC ZINC000783563455 585836937 /nfs/dbraw/zinc/83/69/37/585836937.db2.gz WHTJDLLGQNPCML-UHFFFAOYSA-N 0 0 244.334 3.524 20 30 BHEDRN CC(C)Oc1ccc(NCCC2CC2)cc1C#N ZINC000783566807 585837171 /nfs/dbraw/zinc/83/71/71/585837171.db2.gz LEBGFFHHQSBQTF-UHFFFAOYSA-N 0 0 244.338 3.557 20 30 BHEDRN C#CCCCOc1ccccc1-c1nccs1 ZINC000783568124 585837062 /nfs/dbraw/zinc/83/70/62/585837062.db2.gz MEUKFZAWXCERRL-UHFFFAOYSA-N 0 0 243.331 3.602 20 30 BHEDRN C#CCCCSCc1cc(F)ccc1C ZINC000783580569 585837471 /nfs/dbraw/zinc/83/74/71/585837471.db2.gz APEWREBASPRPQX-UHFFFAOYSA-N 0 0 222.328 3.781 20 30 BHEDRN C#CCCCSCc1cc(F)cc(F)c1 ZINC000783580782 585837447 /nfs/dbraw/zinc/83/74/47/585837447.db2.gz FTDYOONDKWIDQK-UHFFFAOYSA-N 0 0 226.291 3.611 20 30 BHEDRN C=C(C)COc1cccc(N[C@H]2CC[C@H]2C)c1 ZINC000783584399 585837602 /nfs/dbraw/zinc/83/76/02/585837602.db2.gz MIJKZXXFTMUYSF-DOMZBBRYSA-N 0 0 231.339 3.852 20 30 BHEDRN C=C(C)COc1cccc(N[C@@H]2CC[C@H]2C)c1 ZINC000783584403 585837520 /nfs/dbraw/zinc/83/75/20/585837520.db2.gz MIJKZXXFTMUYSF-IUODEOHRSA-N 0 0 231.339 3.852 20 30 BHEDRN C=C(C)COc1cccc(N[C@@H]2CC[C@@H]2C)c1 ZINC000783584406 585837607 /nfs/dbraw/zinc/83/76/07/585837607.db2.gz MIJKZXXFTMUYSF-SWLSCSKDSA-N 0 0 231.339 3.852 20 30 BHEDRN C=C(C)COc1cccc(N[C@H]2CC[C@@H]2C)c1 ZINC000783584410 585837620 /nfs/dbraw/zinc/83/76/20/585837620.db2.gz MIJKZXXFTMUYSF-WFASDCNBSA-N 0 0 231.339 3.852 20 30 BHEDRN C#CCCSC(C)(C)c1ccccc1 ZINC000783625255 585838732 /nfs/dbraw/zinc/83/87/32/585838732.db2.gz RVOWMCYEOMLQSP-UHFFFAOYSA-N 0 0 204.338 3.678 20 30 BHEDRN CCCCCCCCC(=O)N1CCC=C(F)C1 ZINC000783658661 585839675 /nfs/dbraw/zinc/83/96/75/585839675.db2.gz LJHBXQFMBIEFAY-UHFFFAOYSA-N 0 0 241.350 3.823 20 30 BHEDRN CC(C)Oc1ccc(N[C@@H]2CC[C@H]2C)cc1C#N ZINC000783661483 585839613 /nfs/dbraw/zinc/83/96/13/585839613.db2.gz VHGNUYMVGNLSHA-BXUZGUMPSA-N 0 0 244.338 3.556 20 30 BHEDRN CC(C)Oc1ccc(N[C@H]2CC[C@@H]2C)cc1C#N ZINC000783661485 585839627 /nfs/dbraw/zinc/83/96/27/585839627.db2.gz VHGNUYMVGNLSHA-FZMZJTMJSA-N 0 0 244.338 3.556 20 30 BHEDRN CC(C)Oc1ccc(N[C@H]2CC[C@H]2C)cc1C#N ZINC000783661486 585839567 /nfs/dbraw/zinc/83/95/67/585839567.db2.gz VHGNUYMVGNLSHA-RISCZKNCSA-N 0 0 244.338 3.556 20 30 BHEDRN CC(C)Oc1ccc(N[C@@H]2CC[C@@H]2C)cc1C#N ZINC000783661957 585839721 /nfs/dbraw/zinc/83/97/21/585839721.db2.gz VHGNUYMVGNLSHA-SMDDNHRTSA-N 0 0 244.338 3.556 20 30 BHEDRN CC(C)CCCNc1ccccc1O[C@H](C)C#N ZINC000783664887 644757746 /nfs/dbraw/zinc/75/77/46/644757746.db2.gz OGTYPNMEXJXOOD-CYBMUJFWSA-N 0 0 246.354 3.826 20 30 BHEDRN CC(C)CCCNc1ccccc1O[C@@H](C)C#N ZINC000783664888 644758218 /nfs/dbraw/zinc/75/82/18/644758218.db2.gz OGTYPNMEXJXOOD-ZDUSSCGKSA-N 0 0 246.354 3.826 20 30 BHEDRN C#CC[N@@H+](C[C@@H](C)c1cccc(Cl)c1)C1CC1 ZINC000783676732 585839900 /nfs/dbraw/zinc/83/99/00/585839900.db2.gz KNNKOHXKVRBWBA-GFCCVEGCSA-N 0 0 247.769 3.541 20 30 BHEDRN C#CC[N@@H+](C[C@H](C)c1cccc(Cl)c1)C1CC1 ZINC000783676733 585839897 /nfs/dbraw/zinc/83/98/97/585839897.db2.gz KNNKOHXKVRBWBA-LBPRGKRZSA-N 0 0 247.769 3.541 20 30 BHEDRN C[C@H](C(=O)OCCCC(C)(C)C#N)C(C)(C)C ZINC000783681554 585839804 /nfs/dbraw/zinc/83/98/04/585839804.db2.gz JMJKJXNKKUEADN-LLVKDONJSA-N 0 0 239.359 3.542 20 30 BHEDRN C[C@@H](C(=O)OCCCC(C)(C)C#N)C(C)(C)C ZINC000783681555 585839040 /nfs/dbraw/zinc/83/90/40/585839040.db2.gz JMJKJXNKKUEADN-NSHDSACASA-N 0 0 239.359 3.542 20 30 BHEDRN CCCCCCCCNC(=O)/C=C\c1ccc[nH]1 ZINC000783691259 585840086 /nfs/dbraw/zinc/84/00/86/585840086.db2.gz UYOQROPEMOMSSV-KHPPLWFESA-N 0 0 248.370 3.505 20 30 BHEDRN CCCCCCCCNC(=O)/C=C/c1ccc[nH]1 ZINC000783691260 585840190 /nfs/dbraw/zinc/84/01/90/585840190.db2.gz UYOQROPEMOMSSV-ZHACJKMWSA-N 0 0 248.370 3.505 20 30 BHEDRN CCc1cnc(/C=C/C(=O)c2ccccc2)s1 ZINC000783696359 633159076 /nfs/dbraw/zinc/15/90/76/633159076.db2.gz JUWHZLOURYNIGS-CMDGGOBGSA-N 0 0 243.331 3.602 20 30 BHEDRN CCc1cnc(/C=C\C(=O)c2ccccc2)s1 ZINC000783696367 633160292 /nfs/dbraw/zinc/16/02/92/633160292.db2.gz JUWHZLOURYNIGS-HJWRWDBZSA-N 0 0 243.331 3.602 20 30 BHEDRN CCc1cnc(/C=C/C(=O)c2cccs2)s1 ZINC000783696834 585840339 /nfs/dbraw/zinc/84/03/39/585840339.db2.gz LBUHQOZGTLVFPB-AATRIKPKSA-N 0 0 249.360 3.663 20 30 BHEDRN CCc1cnc(/C=C\C(=O)c2cccs2)s1 ZINC000783696870 585840316 /nfs/dbraw/zinc/84/03/16/585840316.db2.gz LBUHQOZGTLVFPB-WAYWQWQTSA-N 0 0 249.360 3.663 20 30 BHEDRN CCc1cnc(/C=C\C(=O)c2ccc(C)o2)s1 ZINC000783701901 585840538 /nfs/dbraw/zinc/84/05/38/585840538.db2.gz OMZBWPOAVOTYMU-ALCCZGGFSA-N 0 0 247.319 3.503 20 30 BHEDRN CCc1cnc(/C=C/C(=O)c2ccc(C)o2)s1 ZINC000783701902 585840698 /nfs/dbraw/zinc/84/06/98/585840698.db2.gz OMZBWPOAVOTYMU-FNORWQNLSA-N 0 0 247.319 3.503 20 30 BHEDRN CCc1cnc(/C=C\C(=O)c2ccsc2)s1 ZINC000783707267 585840631 /nfs/dbraw/zinc/84/06/31/585840631.db2.gz OFWGSUPTEZGMJR-ARJAWSKDSA-N 0 0 249.360 3.663 20 30 BHEDRN CCc1cnc(/C=C/C(=O)c2ccsc2)s1 ZINC000783707268 585840549 /nfs/dbraw/zinc/84/05/49/585840549.db2.gz OFWGSUPTEZGMJR-ONEGZZNKSA-N 0 0 249.360 3.663 20 30 BHEDRN CCc1cnc(/C=C2\CCCC(C)(C)C2=O)s1 ZINC000783708773 585840635 /nfs/dbraw/zinc/84/06/35/585840635.db2.gz DNOANNQOHUWICR-CSKARUKUSA-N 0 0 249.379 3.868 20 30 BHEDRN CCc1cnc(/C=C2/CCCC(C)(C)C2=O)s1 ZINC000783708774 585840625 /nfs/dbraw/zinc/84/06/25/585840625.db2.gz DNOANNQOHUWICR-NTMALXAHSA-N 0 0 249.379 3.868 20 30 BHEDRN CCc1cnc(/C=C\C(=O)c2occc2C)s1 ZINC000783709713 585840657 /nfs/dbraw/zinc/84/06/57/585840657.db2.gz VQNXOTSZWQBWBD-PLNGDYQASA-N 0 0 247.319 3.503 20 30 BHEDRN CCc1cnc(/C=C/C(=O)c2occc2C)s1 ZINC000783709714 585840573 /nfs/dbraw/zinc/84/05/73/585840573.db2.gz VQNXOTSZWQBWBD-SNAWJCMRSA-N 0 0 247.319 3.503 20 30 BHEDRN CC(C)(C)CCC(=O)OCCCC(C)(C)C#N ZINC000783742301 585841805 /nfs/dbraw/zinc/84/18/05/585841805.db2.gz CBLWJTJZYUWWKW-UHFFFAOYSA-N 0 0 239.359 3.686 20 30 BHEDRN CC1(C)CCC(N=Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000783769761 585842841 /nfs/dbraw/zinc/84/28/41/585842841.db2.gz AMTQYBNAHNLCAE-UHFFFAOYSA-N 0 0 247.298 3.573 20 30 BHEDRN CC(CCC(F)(F)F)N=Nc1ccccc1 ZINC000783771061 585842831 /nfs/dbraw/zinc/84/28/31/585842831.db2.gz ATQRBFKCUWPGLF-UHFFFAOYSA-N 0 0 230.233 3.817 20 30 BHEDRN C[C@@H]1CCCC[C@@H]1CN=Nc1ccccc1 ZINC000783771586 585842813 /nfs/dbraw/zinc/84/28/13/585842813.db2.gz FNKWVOWYOSRXTF-CHWSQXEVSA-N 0 0 216.328 3.911 20 30 BHEDRN C[C@@H]1CCCC[C@H]1CN=Nc1ccccc1 ZINC000783771587 585842896 /nfs/dbraw/zinc/84/28/96/585842896.db2.gz FNKWVOWYOSRXTF-OLZOCXBDSA-N 0 0 216.328 3.911 20 30 BHEDRN C[C@H]1CCCC[C@@H]1CN=Nc1ccccc1 ZINC000783771588 585842720 /nfs/dbraw/zinc/84/27/20/585842720.db2.gz FNKWVOWYOSRXTF-QWHCGFSZSA-N 0 0 216.328 3.911 20 30 BHEDRN C[C@H]1CCCC[C@H]1CN=Nc1ccccc1 ZINC000783771589 585842823 /nfs/dbraw/zinc/84/28/23/585842823.db2.gz FNKWVOWYOSRXTF-STQMWFEESA-N 0 0 216.328 3.911 20 30 BHEDRN CC1(C)CCC(N=Nc2ccccc2)C1 ZINC000783771665 585842775 /nfs/dbraw/zinc/84/27/75/585842775.db2.gz GWGRKZSDRCVPNT-UHFFFAOYSA-N 0 0 202.301 3.665 20 30 BHEDRN CC1(C)CCC(N=Nc2ccccc2[N+](=O)[O-])C1 ZINC000783771893 585842800 /nfs/dbraw/zinc/84/28/00/585842800.db2.gz HUCJASANDRHHHO-UHFFFAOYSA-N 0 0 247.298 3.573 20 30 BHEDRN C[C@H](CN=Nc1ccccc1)Cc1ccccc1 ZINC000783772291 585842724 /nfs/dbraw/zinc/84/27/24/585842724.db2.gz JCVQIWSFPWHGAU-AWEZNQCLSA-N 0 0 238.334 3.963 20 30 BHEDRN C[C@@H](CN=Nc1ccccc1)Cc1ccccc1 ZINC000783772293 585842882 /nfs/dbraw/zinc/84/28/82/585842882.db2.gz JCVQIWSFPWHGAU-CQSZACIVSA-N 0 0 238.334 3.963 20 30 BHEDRN Cc1ccc(N=NC2CCC(C)(C)C2)cc1 ZINC000783773187 585842770 /nfs/dbraw/zinc/84/27/70/585842770.db2.gz PNAVIFXQYHVTDH-UHFFFAOYSA-N 0 0 216.328 3.973 20 30 BHEDRN Cc1cccc(N=NC2CCC(C)(C)C2)c1 ZINC000783773985 585842703 /nfs/dbraw/zinc/84/27/03/585842703.db2.gz VIPKTXDRYKUOOA-UHFFFAOYSA-N 0 0 216.328 3.973 20 30 BHEDRN CC1(C)CCC(N=Nc2ccc(F)cc2F)C1 ZINC000783774580 585842834 /nfs/dbraw/zinc/84/28/34/585842834.db2.gz XHSUKJCKDVWSPP-UHFFFAOYSA-N 0 0 238.281 3.943 20 30 BHEDRN CC1(C)CCC(N=Nc2ccc(F)cc2)C1 ZINC000783784197 585843154 /nfs/dbraw/zinc/84/31/54/585843154.db2.gz QSSQPLROEAYOIK-UHFFFAOYSA-N 0 0 220.291 3.804 20 30 BHEDRN CC1(C)CCC(N=Nc2cccc([N+](=O)[O-])c2)C1 ZINC000783785915 585843229 /nfs/dbraw/zinc/84/32/29/585843229.db2.gz JPOFEYLFMNWUQE-UHFFFAOYSA-N 0 0 247.298 3.573 20 30 BHEDRN CC1(C)CCC(N=Nc2nc3ccccc3[nH]2)C1 ZINC000783791765 585843315 /nfs/dbraw/zinc/84/33/15/585843315.db2.gz ZTIKXKNPMYORSD-UHFFFAOYSA-N 0 0 242.326 3.541 20 30 BHEDRN CC(N=Nc1ccccn1)C1CCCCCC1 ZINC000783803633 585843618 /nfs/dbraw/zinc/84/36/18/585843618.db2.gz BXGFRZGZYAQVCP-UHFFFAOYSA-N 0 0 231.343 3.840 20 30 BHEDRN CC[C@@H]1CCC[C@@H](CN=Nc2ccccn2)C1 ZINC000783805317 585843612 /nfs/dbraw/zinc/84/36/12/585843612.db2.gz SSYXIKQMEUMMIQ-CHWSQXEVSA-N 0 0 231.343 3.696 20 30 BHEDRN CC[C@@H]1CCC[C@H](CN=Nc2ccccn2)C1 ZINC000783805319 585843603 /nfs/dbraw/zinc/84/36/03/585843603.db2.gz SSYXIKQMEUMMIQ-OLZOCXBDSA-N 0 0 231.343 3.696 20 30 BHEDRN CC[C@H]1CCC[C@@H](CN=Nc2ccccn2)C1 ZINC000783805321 585843634 /nfs/dbraw/zinc/84/36/34/585843634.db2.gz SSYXIKQMEUMMIQ-QWHCGFSZSA-N 0 0 231.343 3.696 20 30 BHEDRN CC[C@H]1CCC[C@H](CN=Nc2ccccn2)C1 ZINC000783805323 585843701 /nfs/dbraw/zinc/84/37/01/585843701.db2.gz SSYXIKQMEUMMIQ-STQMWFEESA-N 0 0 231.343 3.696 20 30 BHEDRN C[C@H]1CCCC[C@@H]1C=NNCc1ccccc1 ZINC000783813451 585843719 /nfs/dbraw/zinc/84/37/19/585843719.db2.gz LRWYHTOCRQVTQL-DZGCQCFKSA-N 0 0 230.355 3.588 20 30 BHEDRN C[C@@H]1CCCC[C@H]1C=NNCc1ccccc1 ZINC000783813452 585843804 /nfs/dbraw/zinc/84/38/04/585843804.db2.gz LRWYHTOCRQVTQL-HIFRSBDPSA-N 0 0 230.355 3.588 20 30 BHEDRN C[C@@H]1CCCC[C@@H]1C=NNCc1ccccc1 ZINC000783813453 585843765 /nfs/dbraw/zinc/84/37/65/585843765.db2.gz LRWYHTOCRQVTQL-UKRRQHHQSA-N 0 0 230.355 3.588 20 30 BHEDRN C[C@H]1CCCC[C@H]1C=NNCc1ccccc1 ZINC000783813454 585843771 /nfs/dbraw/zinc/84/37/71/585843771.db2.gz LRWYHTOCRQVTQL-ZFWWWQNUSA-N 0 0 230.355 3.588 20 30 BHEDRN COc1cccc(N=NC[C@H]2CCCC[C@H]2C)c1 ZINC000783816373 585843981 /nfs/dbraw/zinc/84/39/81/585843981.db2.gz OQAPXBVEGNOIGE-CHWSQXEVSA-N 0 0 246.354 3.919 20 30 BHEDRN COc1cccc(N=NC[C@@H]2CCCC[C@H]2C)c1 ZINC000783816374 585843955 /nfs/dbraw/zinc/84/39/55/585843955.db2.gz OQAPXBVEGNOIGE-OLZOCXBDSA-N 0 0 246.354 3.919 20 30 BHEDRN COc1cccc(N=NC[C@H]2CCCC[C@@H]2C)c1 ZINC000783816375 585843956 /nfs/dbraw/zinc/84/39/56/585843956.db2.gz OQAPXBVEGNOIGE-QWHCGFSZSA-N 0 0 246.354 3.919 20 30 BHEDRN COc1cccc(N=NC[C@@H]2CCCC[C@@H]2C)c1 ZINC000783816376 585843935 /nfs/dbraw/zinc/84/39/35/585843935.db2.gz OQAPXBVEGNOIGE-STQMWFEESA-N 0 0 246.354 3.919 20 30 BHEDRN COc1cccc(N=NC2CCC(C)(C)C2)c1 ZINC000783817143 585843918 /nfs/dbraw/zinc/84/39/18/585843918.db2.gz WPTDZDRUHXUHGR-UHFFFAOYSA-N 0 0 232.327 3.673 20 30 BHEDRN CCON=C1CCC(c2ccc(OC)cc2)CC1 ZINC000783819777 585844031 /nfs/dbraw/zinc/84/40/31/585844031.db2.gz AQBQRRNHPSJSII-UHFFFAOYSA-N 0 0 247.338 3.745 20 30 BHEDRN CC(CCC(F)(F)F)=NOCc1ccccc1 ZINC000783820404 585844086 /nfs/dbraw/zinc/84/40/86/585844086.db2.gz GFXIETIZMOEZAI-UHFFFAOYSA-N 0 0 245.244 3.922 20 30 BHEDRN CC1(C)CCC(N=Nc2cccc(C#N)c2)C1 ZINC000783820422 585843992 /nfs/dbraw/zinc/84/39/92/585843992.db2.gz FDSWYMPALGHNGU-UHFFFAOYSA-N 0 0 227.311 3.536 20 30 BHEDRN C[C@H]1CCCC[C@@H]1CN=Nc1cccc(C#N)c1 ZINC000783821008 585843997 /nfs/dbraw/zinc/84/39/97/585843997.db2.gz JMFWXCOBMFOLSV-GXTWGEPZSA-N 0 0 241.338 3.782 20 30 BHEDRN C[C@H]1CCCC[C@H]1CN=Nc1cccc(C#N)c1 ZINC000783821009 585844084 /nfs/dbraw/zinc/84/40/84/585844084.db2.gz JMFWXCOBMFOLSV-JSGCOSHPSA-N 0 0 241.338 3.782 20 30 BHEDRN C[C@@H]1CCCC[C@H]1CN=Nc1cccc(C#N)c1 ZINC000783821010 585844026 /nfs/dbraw/zinc/84/40/26/585844026.db2.gz JMFWXCOBMFOLSV-OCCSQVGLSA-N 0 0 241.338 3.782 20 30 BHEDRN C[C@@H]1CCCC[C@@H]1CN=Nc1cccc(C#N)c1 ZINC000783821012 585844096 /nfs/dbraw/zinc/84/40/96/585844096.db2.gz JMFWXCOBMFOLSV-TZMCWYRMSA-N 0 0 241.338 3.782 20 30 BHEDRN CC1(C)CCC(N=Nc2ccccc2F)C1 ZINC000783821097 585844028 /nfs/dbraw/zinc/84/40/28/585844028.db2.gz KNPZOVAZJSPBHS-UHFFFAOYSA-N 0 0 220.291 3.804 20 30 BHEDRN CCON=CCCCc1ccc(C)c(C)c1 ZINC000783821681 585843991 /nfs/dbraw/zinc/84/39/91/585843991.db2.gz NLIQIPZENZOGNG-UHFFFAOYSA-N 0 0 219.328 3.648 20 30 BHEDRN CCON=CC1CCC(C(C)(C)C)CC1 ZINC000783821692 585844071 /nfs/dbraw/zinc/84/40/71/585844071.db2.gz NWYAQXQQUIKVRF-UHFFFAOYSA-N 0 0 211.349 3.861 20 30 BHEDRN CCON=C1CC(c2ccc(Cl)cc2)C1 ZINC000783822507 585844095 /nfs/dbraw/zinc/84/40/95/585844095.db2.gz UVBZQVVQGTYONH-UHFFFAOYSA-N 0 0 223.703 3.610 20 30 BHEDRN CC1(C)CCC(=NOCc2ccccc2)C1 ZINC000783822601 585844047 /nfs/dbraw/zinc/84/40/47/585844047.db2.gz VZFYXHDGEVXDQY-UHFFFAOYSA-N 0 0 217.312 3.769 20 30 BHEDRN CCCNN=C1CC(c2ccc(Cl)cc2)C1 ZINC000783825285 585844216 /nfs/dbraw/zinc/84/42/16/585844216.db2.gz BTHDEQOXJCDEDQ-UHFFFAOYSA-N 0 0 236.746 3.573 20 30 BHEDRN CC1(C)CCC(N=Nc2ccc(C#N)cc2)C1 ZINC000783826051 585844199 /nfs/dbraw/zinc/84/41/99/585844199.db2.gz HUUQIAZJSQFVPC-UHFFFAOYSA-N 0 0 227.311 3.536 20 30 BHEDRN C[C@H]1CCCC[C@@H]1C=NNCc1cccc(F)c1 ZINC000783827065 585844200 /nfs/dbraw/zinc/84/42/00/585844200.db2.gz OASBSSJFKAAURE-GXTWGEPZSA-N 0 0 248.345 3.727 20 30 BHEDRN C[C@H]1CCCC[C@H]1C=NNCc1cccc(F)c1 ZINC000783827066 585844255 /nfs/dbraw/zinc/84/42/55/585844255.db2.gz OASBSSJFKAAURE-JSGCOSHPSA-N 0 0 248.345 3.727 20 30 BHEDRN C[C@@H]1CCCC[C@H]1C=NNCc1cccc(F)c1 ZINC000783827067 585844258 /nfs/dbraw/zinc/84/42/58/585844258.db2.gz OASBSSJFKAAURE-OCCSQVGLSA-N 0 0 248.345 3.727 20 30 BHEDRN C[C@@H]1CCCC[C@@H]1C=NNCc1cccc(F)c1 ZINC000783827070 585844229 /nfs/dbraw/zinc/84/42/29/585844229.db2.gz OASBSSJFKAAURE-TZMCWYRMSA-N 0 0 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JTLXYUAXUBSKPV-UHFFFAOYSA-N 0 0 210.365 3.578 20 30 BHEDRN CC[C@@H]1CCC[C@H](C=NO[C@@H]2CCCCO2)C1 ZINC000783861535 585845073 /nfs/dbraw/zinc/84/50/73/585845073.db2.gz FBVJBSPUYPSZSR-HZSPNIEDSA-N 0 0 239.359 3.732 20 30 BHEDRN CC[C@@H]1CCC[C@@H](C=NO[C@H]2CCCCO2)C1 ZINC000783861537 585845103 /nfs/dbraw/zinc/84/51/03/585845103.db2.gz FBVJBSPUYPSZSR-MCIONIFRSA-N 0 0 239.359 3.732 20 30 BHEDRN CC[C@@H]1CCC[C@@H](C=NO[C@@H]2CCCCO2)C1 ZINC000783861539 585845144 /nfs/dbraw/zinc/84/51/44/585845144.db2.gz FBVJBSPUYPSZSR-MGPQQGTHSA-N 0 0 239.359 3.732 20 30 BHEDRN CC[C@@H]1CCC[C@H](C=NO[C@H]2CCCCO2)C1 ZINC000783861541 585845040 /nfs/dbraw/zinc/84/50/40/585845040.db2.gz FBVJBSPUYPSZSR-RDBSUJKOSA-N 0 0 239.359 3.732 20 30 BHEDRN CC1(C)CCC(N=Nc2cc(Cl)ccn2)C1 ZINC000783861604 585845048 /nfs/dbraw/zinc/84/50/48/585845048.db2.gz IHCXLGOCWWZROR-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN CC(=NO[C@H]1CCCCO1)C1CCCCCC1 ZINC000783864642 585845003 /nfs/dbraw/zinc/84/50/03/585845003.db2.gz XKPODWNCQIJYAS-AWEZNQCLSA-N 0 0 239.359 3.876 20 30 BHEDRN CC(=NO[C@@H]1CCCCO1)C1CCCCCC1 ZINC000783864643 585845164 /nfs/dbraw/zinc/84/51/64/585845164.db2.gz XKPODWNCQIJYAS-CQSZACIVSA-N 0 0 239.359 3.876 20 30 BHEDRN CC(=NNCC(C)C)C1CCCCCC1 ZINC000783864678 585844993 /nfs/dbraw/zinc/84/49/93/585844993.db2.gz TZSFYPIYAZXLOR-UHFFFAOYSA-N 0 0 210.365 3.578 20 30 BHEDRN CC(N=Nc1ccnc(F)c1)C1CCCCCC1 ZINC000783865616 585845249 /nfs/dbraw/zinc/84/52/49/585845249.db2.gz DJMPLYMIOJSERX-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN CC1(C)CCC(N=Nc2ccc3n[nH]cc3c2)C1 ZINC000783866824 585845333 /nfs/dbraw/zinc/84/53/33/585845333.db2.gz KPXNSMRPBHLTJC-UHFFFAOYSA-N 0 0 242.326 3.541 20 30 BHEDRN CC[C@@H]1CCC[C@H](CN=Nc2ccnc(F)c2)C1 ZINC000783867716 585845340 /nfs/dbraw/zinc/84/53/40/585845340.db2.gz SNICCKHPZOBPQB-NEPJUHHUSA-N 0 0 249.333 3.835 20 30 BHEDRN CC[C@H]1CCC[C@@H](CN=Nc2ccnc(F)c2)C1 ZINC000783867717 585845250 /nfs/dbraw/zinc/84/52/50/585845250.db2.gz SNICCKHPZOBPQB-NWDGAFQWSA-N 0 0 249.333 3.835 20 30 BHEDRN CC[C@H]1CCC[C@H](CN=Nc2ccnc(F)c2)C1 ZINC000783867718 585845387 /nfs/dbraw/zinc/84/53/87/585845387.db2.gz SNICCKHPZOBPQB-RYUDHWBXSA-N 0 0 249.333 3.835 20 30 BHEDRN CC[C@@H]1CCC[C@@H](CN=Nc2ccnc(F)c2)C1 ZINC000783867719 585845355 /nfs/dbraw/zinc/84/53/55/585845355.db2.gz SNICCKHPZOBPQB-VXGBXAGGSA-N 0 0 249.333 3.835 20 30 BHEDRN CCC(N=Nc1ccc(C#N)c(Cl)c1)C1CC1 ZINC000783877492 585845248 /nfs/dbraw/zinc/84/52/48/585845248.db2.gz LAHPOBHDDPKTAE-UHFFFAOYSA-N 0 0 247.729 3.800 20 30 BHEDRN CC(CC1CC1)N=Nc1ccc(C#N)c(Cl)c1 ZINC000783878128 585845234 /nfs/dbraw/zinc/84/52/34/585845234.db2.gz PMNRKCDZWSZEGZ-UHFFFAOYSA-N 0 0 247.729 3.800 20 30 BHEDRN CC(N=Nc1ccc(C#N)c(Cl)c1)C1CCC1 ZINC000783878130 585845213 /nfs/dbraw/zinc/84/52/13/585845213.db2.gz PNFUFZXYUCFAKQ-UHFFFAOYSA-N 0 0 247.729 3.800 20 30 BHEDRN CCC(CC)N=Nc1ccc(C#N)c(Cl)c1 ZINC000783878213 585845201 /nfs/dbraw/zinc/84/52/01/585845201.db2.gz RHTXLICTTWACKQ-UHFFFAOYSA-N 0 0 235.718 3.800 20 30 BHEDRN C[C@@H]1CCCC1N=Nc1ccc(C#N)c(Cl)c1 ZINC000783880811 585845533 /nfs/dbraw/zinc/84/55/33/585845533.db2.gz NQCVZNPNAMVJNJ-SECBINFHSA-N 0 0 247.729 3.800 20 30 BHEDRN C[C@H]1CCCC1N=Nc1ccc(C#N)c(Cl)c1 ZINC000783880812 585845482 /nfs/dbraw/zinc/84/54/82/585845482.db2.gz NQCVZNPNAMVJNJ-VIFPVBQESA-N 0 0 247.729 3.800 20 30 BHEDRN N#Cc1ccc(N=NC2CCCC2)cc1Cl ZINC000783881182 585845115 /nfs/dbraw/zinc/84/51/15/585845115.db2.gz SLUJNOXKVXVOKY-UHFFFAOYSA-N 0 0 233.702 3.554 20 30 BHEDRN C=C(C)CNc1cc(F)c(OC(C)C)c(F)c1 ZINC000783885714 585845479 /nfs/dbraw/zinc/84/54/79/585845479.db2.gz NBMXQTBJNRSLDK-UHFFFAOYSA-N 0 0 241.281 3.740 20 30 BHEDRN C=CCCNc1cc(F)c(OC(C)C)c(F)c1 ZINC000783886514 585845496 /nfs/dbraw/zinc/84/54/96/585845496.db2.gz XGILKGZQCKKOJP-UHFFFAOYSA-N 0 0 241.281 3.740 20 30 BHEDRN C#CCCCSCCc1cccc(F)c1F ZINC000783903800 585845535 /nfs/dbraw/zinc/84/55/35/585845535.db2.gz OVLVSCPHHHRJPT-UHFFFAOYSA-N 0 0 240.318 3.654 20 30 BHEDRN C#CCCCSCc1ccc(F)cc1C ZINC000783904549 585845742 /nfs/dbraw/zinc/84/57/42/585845742.db2.gz ZRRMYYRGUSRMHZ-UHFFFAOYSA-N 0 0 222.328 3.781 20 30 BHEDRN C=CCCCCCOC(=O)CCC(F)(F)F ZINC000783915496 585845857 /nfs/dbraw/zinc/84/58/57/585845857.db2.gz OHHDVEFDPLUPEU-UHFFFAOYSA-N 0 0 238.249 3.619 20 30 BHEDRN C#CCCCSCc1ccc(C#N)cc1Cl ZINC000783935288 585846048 /nfs/dbraw/zinc/84/60/48/585846048.db2.gz KEQNCSCNUJLLFQ-UHFFFAOYSA-N 0 0 249.766 3.858 20 30 BHEDRN CCC(C)(C)CC(=O)OCCCC(C)(C)C#N ZINC000783947758 585846057 /nfs/dbraw/zinc/84/60/57/585846057.db2.gz PWEPRRADUCXHTM-UHFFFAOYSA-N 0 0 239.359 3.686 20 30 BHEDRN C=CCCCCCOC(=O)c1ccc(C#N)s1 ZINC000783996387 585846452 /nfs/dbraw/zinc/84/64/52/585846452.db2.gz AYAPLMBSEFKRIB-UHFFFAOYSA-N 0 0 249.335 3.523 20 30 BHEDRN CC(C)=C(C)C(=O)O[C@H](C)c1cccc(C#N)c1 ZINC000784042077 585847763 /nfs/dbraw/zinc/84/77/63/585847763.db2.gz XHORHVMFUDMRQM-GFCCVEGCSA-N 0 0 243.306 3.519 20 30 BHEDRN CC(C)=C(C)C(=O)O[C@@H](C)c1cccc(C#N)c1 ZINC000784042078 585847797 /nfs/dbraw/zinc/84/77/97/585847797.db2.gz XHORHVMFUDMRQM-LBPRGKRZSA-N 0 0 243.306 3.519 20 30 BHEDRN C=CCN(C(=O)[C@H]1CC[C@H](CC)CC1)C(C)C ZINC000784050859 585847986 /nfs/dbraw/zinc/84/79/86/585847986.db2.gz GPZXXVCIFGKSKE-HDJSIYSDSA-N 0 0 237.387 3.626 20 30 BHEDRN Clc1ccccc1CCCON=C1CCC1 ZINC000784052430 585848105 /nfs/dbraw/zinc/84/81/05/585848105.db2.gz XGSHRQLZJMDJSR-UHFFFAOYSA-N 0 0 237.730 3.829 20 30 BHEDRN C=CCCCCCOC(=O)CCc1ccoc1 ZINC000784060193 585848348 /nfs/dbraw/zinc/84/83/48/585848348.db2.gz AYCWDILVWUSZHO-UHFFFAOYSA-N 0 0 236.311 3.502 20 30 BHEDRN C=CCCCCCOC(=O)c1cc(C#N)cs1 ZINC000784065916 585848312 /nfs/dbraw/zinc/84/83/12/585848312.db2.gz SISQVPJAYFAGTR-UHFFFAOYSA-N 0 0 249.335 3.523 20 30 BHEDRN C#CCCCCNC(=O)CCCC[C@@H](C)CC ZINC000784070835 585848593 /nfs/dbraw/zinc/84/85/93/585848593.db2.gz XSJZPRUSTMIMSA-AWEZNQCLSA-N 0 0 237.387 3.513 20 30 BHEDRN C#CCCCCNC(=O)CCCC[C@H](C)CC ZINC000784070836 585848425 /nfs/dbraw/zinc/84/84/25/585848425.db2.gz XSJZPRUSTMIMSA-CQSZACIVSA-N 0 0 237.387 3.513 20 30 BHEDRN C[C@H]1CC/C(=C\C(=O)OCCCC(C)(C)C#N)C1 ZINC000784071161 585848574 /nfs/dbraw/zinc/84/85/74/585848574.db2.gz OCNUAVZXJZJFCE-CVCOIXHCSA-N 0 0 249.354 3.606 20 30 BHEDRN C[C@@H]1CC/C(=C\C(=O)OCCCC(C)(C)C#N)C1 ZINC000784071163 585848584 /nfs/dbraw/zinc/84/85/84/585848584.db2.gz OCNUAVZXJZJFCE-GMCKNXKJSA-N 0 0 249.354 3.606 20 30 BHEDRN C[C@H]1CC/C(=C/C(=O)OCCCC(C)(C)C#N)C1 ZINC000784071164 585848546 /nfs/dbraw/zinc/84/85/46/585848546.db2.gz OCNUAVZXJZJFCE-IXJPEXDMSA-N 0 0 249.354 3.606 20 30 BHEDRN C[C@@H]1CC/C(=C/C(=O)OCCCC(C)(C)C#N)C1 ZINC000784071165 585848564 /nfs/dbraw/zinc/84/85/64/585848564.db2.gz OCNUAVZXJZJFCE-YGYTWAPGSA-N 0 0 249.354 3.606 20 30 BHEDRN CC(C(=O)OCCCC(C)(C)C#N)=C1CCCC1 ZINC000784072294 585848526 /nfs/dbraw/zinc/84/85/26/585848526.db2.gz VPZALTZCXOVHKW-UHFFFAOYSA-N 0 0 249.354 3.750 20 30 BHEDRN C#CCN(C(=O)CC(C)(C)CCC)C1CCCC1 ZINC000784116666 585849930 /nfs/dbraw/zinc/84/99/30/585849930.db2.gz AYRUBWSGAGPJRZ-UHFFFAOYSA-N 0 0 249.398 3.607 20 30 BHEDRN CCC(=CC(=O)OCCCC(C)(C)C#N)CC ZINC000784117459 585849933 /nfs/dbraw/zinc/84/99/33/585849933.db2.gz LIIPKKBJVRGFGP-UHFFFAOYSA-N 0 0 237.343 3.606 20 30 BHEDRN C=CCC(CC=C)C(=O)OCCCC(C)(C)C#N ZINC000784117576 585850038 /nfs/dbraw/zinc/85/00/38/585850038.db2.gz GRLDDHYTAGYJKH-UHFFFAOYSA-N 0 0 249.354 3.628 20 30 BHEDRN CCC(CC)CC(=O)OCCCC(C)(C)C#N ZINC000784119164 585850199 /nfs/dbraw/zinc/85/01/99/585850199.db2.gz ZHFXLLLYKDZZEE-UHFFFAOYSA-N 0 0 239.359 3.686 20 30 BHEDRN Cc1c(Cl)cnc(NCCC2CCC2)c1C#N ZINC000784164849 585852285 /nfs/dbraw/zinc/85/22/85/585852285.db2.gz YSVGSAJTMDGZML-UHFFFAOYSA-N 0 0 249.745 3.517 20 30 BHEDRN N#CCCCNc1cc2ccccc2c(Cl)n1 ZINC000784176303 585852695 /nfs/dbraw/zinc/85/26/95/585852695.db2.gz NBDABLJMBJFQDI-UHFFFAOYSA-N 0 0 245.713 3.604 20 30 BHEDRN C/C=C(/C=C/C(=O)OCCCC(C)(C)C#N)CC ZINC000784218938 585853075 /nfs/dbraw/zinc/85/30/75/585853075.db2.gz YVCGDUXEVYHKQO-AFLFDFMDSA-N 0 0 249.354 3.772 20 30 BHEDRN C/C=C(/C=C\C(=O)OCCCC(C)(C)C#N)CC ZINC000784218941 585853183 /nfs/dbraw/zinc/85/31/83/585853183.db2.gz YVCGDUXEVYHKQO-CTUCXJIYSA-N 0 0 249.354 3.772 20 30 BHEDRN C=CCCCC(=O)OCc1ccc(F)cc1C ZINC000784266776 585853737 /nfs/dbraw/zinc/85/37/37/585853737.db2.gz QWKIXYOWVDYGIA-UHFFFAOYSA-N 0 0 236.286 3.534 20 30 BHEDRN Cc1ccc([C@H](C)OC(=O)CC(C)(C)C#N)cc1 ZINC000784287550 585854566 /nfs/dbraw/zinc/85/45/66/585854566.db2.gz UCAOFLVCWBVRBD-LBPRGKRZSA-N 0 0 245.322 3.539 20 30 BHEDRN CC(C)Oc1ccc(NCC2(C)CC2)cc1C#N ZINC000784316169 585855791 /nfs/dbraw/zinc/85/57/91/585855791.db2.gz RMDGSUQDYTZMAL-UHFFFAOYSA-N 0 0 244.338 3.557 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)C(C)(C)C(C)C ZINC000784330687 585855899 /nfs/dbraw/zinc/85/58/99/585855899.db2.gz NZOVECODAAZZGB-LLVKDONJSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCC[C@H](C)OC(=O)C(C)(C)C(C)C ZINC000784330688 585855989 /nfs/dbraw/zinc/85/59/89/585855989.db2.gz NZOVECODAAZZGB-NSHDSACASA-N 0 0 212.333 3.567 20 30 BHEDRN CCCCCCCC(=O)NC12CCC(CC1)C2 ZINC000784361907 585857265 /nfs/dbraw/zinc/85/72/65/585857265.db2.gz GOXCYZXAJZWGOR-UHFFFAOYSA-N 0 0 237.387 3.796 20 30 BHEDRN C=CCN(c1ccnc2c(F)cccc12)C1CC1 ZINC000784369371 585857514 /nfs/dbraw/zinc/85/75/14/585857514.db2.gz TVWUVXAVONMPBV-UHFFFAOYSA-N 0 0 242.297 3.529 20 30 BHEDRN C=CCCCCCOC(=O)c1ncccc1CC ZINC000784464418 585861048 /nfs/dbraw/zinc/86/10/48/585861048.db2.gz IATWRHODZVUWMA-UHFFFAOYSA-N 0 0 247.338 3.547 20 30 BHEDRN C=C(Cl)C[N@H+]1CC[C@H](c2ccc(C)cc2)C1 ZINC000784480080 585861167 /nfs/dbraw/zinc/86/11/67/585861167.db2.gz MUNVAFKGLSKWFM-AWEZNQCLSA-N 0 0 235.758 3.537 20 30 BHEDRN C=C(Cl)C[N@H+]1CC[C@@H](c2ccc(C)cc2)C1 ZINC000784480081 585860948 /nfs/dbraw/zinc/86/09/48/585860948.db2.gz MUNVAFKGLSKWFM-CQSZACIVSA-N 0 0 235.758 3.537 20 30 BHEDRN C=C(Cl)C[N@H+]1CC[C@H](c2cccc(C)c2)C1 ZINC000784481789 585861125 /nfs/dbraw/zinc/86/11/25/585861125.db2.gz REGNIRGRUPCLJY-AWEZNQCLSA-N 0 0 235.758 3.537 20 30 BHEDRN C=C(Cl)C[N@H+]1CC[C@@H](c2cccc(C)c2)C1 ZINC000784481790 585860941 /nfs/dbraw/zinc/86/09/41/585860941.db2.gz REGNIRGRUPCLJY-CQSZACIVSA-N 0 0 235.758 3.537 20 30 BHEDRN C=CCCCCCOC(=O)c1cc(CC)ccn1 ZINC000784537209 585862992 /nfs/dbraw/zinc/86/29/92/585862992.db2.gz HZSUZVFYNIBVRD-UHFFFAOYSA-N 0 0 247.338 3.547 20 30 BHEDRN C=CCCCCCOC(=O)c1ccncc1CC ZINC000784547623 585863075 /nfs/dbraw/zinc/86/30/75/585863075.db2.gz XQRNFEIVAYEQCJ-UHFFFAOYSA-N 0 0 247.338 3.547 20 30 BHEDRN CC/C(C)=C(/C)C(=O)OCCCC(C)(C)C#N ZINC000784612115 585864803 /nfs/dbraw/zinc/86/48/03/585864803.db2.gz FLAWSEXBHSAJMX-QXMHVHEDSA-N 0 0 237.343 3.606 20 30 BHEDRN CC/C(C)=C(\C)C(=O)OCCCC(C)(C)C#N ZINC000784612116 585864689 /nfs/dbraw/zinc/86/46/89/585864689.db2.gz FLAWSEXBHSAJMX-VAWYXSNFSA-N 0 0 237.343 3.606 20 30 BHEDRN C=CCCCCCOC(=O)c1ncc(C)cc1C ZINC000784612869 585864720 /nfs/dbraw/zinc/86/47/20/585864720.db2.gz KCZZMVQJSYOMQY-UHFFFAOYSA-N 0 0 247.338 3.602 20 30 BHEDRN CC[C@@H](C)[C@H](C)C(=O)OCCCC(C)(C)C#N ZINC000784614374 585864641 /nfs/dbraw/zinc/86/46/41/585864641.db2.gz QRIDMGLMOGSMJP-NEPJUHHUSA-N 0 0 239.359 3.542 20 30 BHEDRN CC[C@H](C)[C@@H](C)C(=O)OCCCC(C)(C)C#N ZINC000784614378 585864661 /nfs/dbraw/zinc/86/46/61/585864661.db2.gz QRIDMGLMOGSMJP-NWDGAFQWSA-N 0 0 239.359 3.542 20 30 BHEDRN CC[C@H](C)[C@H](C)C(=O)OCCCC(C)(C)C#N ZINC000784614380 585864592 /nfs/dbraw/zinc/86/45/92/585864592.db2.gz QRIDMGLMOGSMJP-RYUDHWBXSA-N 0 0 239.359 3.542 20 30 BHEDRN CC[C@@H](C)[C@@H](C)C(=O)OCCCC(C)(C)C#N ZINC000784614381 585864658 /nfs/dbraw/zinc/86/46/58/585864658.db2.gz QRIDMGLMOGSMJP-VXGBXAGGSA-N 0 0 239.359 3.542 20 30 BHEDRN C=CCCCCCOC(=O)[C@H]1CCCCS1 ZINC000784657915 585865212 /nfs/dbraw/zinc/86/52/12/585865212.db2.gz CEECMHGEMPJAFX-GFCCVEGCSA-N 0 0 242.384 3.562 20 30 BHEDRN C=CCCCCCOC(=O)[C@@H]1CCCCS1 ZINC000784657917 585865247 /nfs/dbraw/zinc/86/52/47/585865247.db2.gz CEECMHGEMPJAFX-LBPRGKRZSA-N 0 0 242.384 3.562 20 30 BHEDRN C#Cc1cccc(N[C@@H](C)CCC(F)(F)F)c1 ZINC000784658937 585865171 /nfs/dbraw/zinc/86/51/71/585865171.db2.gz TUIYQAOQXQFKNH-JTQLQIEISA-N 0 0 241.256 3.811 20 30 BHEDRN C#Cc1cccc(N[C@H](C)CCC(F)(F)F)c1 ZINC000784658938 585865276 /nfs/dbraw/zinc/86/52/76/585865276.db2.gz TUIYQAOQXQFKNH-SNVBAGLBSA-N 0 0 241.256 3.811 20 30 BHEDRN C=C[C@@H]1CCCCN1c1nc(C)ccc1Cl ZINC000784672779 585865485 /nfs/dbraw/zinc/86/54/85/585865485.db2.gz UNUDOTCVQGUGJW-LLVKDONJSA-N 0 0 236.746 3.588 20 30 BHEDRN C=C[C@H]1CCCCN1c1nc(C)ccc1Cl ZINC000784672780 585865608 /nfs/dbraw/zinc/86/56/08/585865608.db2.gz UNUDOTCVQGUGJW-NSHDSACASA-N 0 0 236.746 3.588 20 30 BHEDRN CC(C)C[C@@H](C)C(=O)OCCCC(C)(C)C#N ZINC000784734172 644764193 /nfs/dbraw/zinc/76/41/93/644764193.db2.gz HJZOUAFWTWJECV-GFCCVEGCSA-N 0 0 239.359 3.542 20 30 BHEDRN CC(C)C[C@H](C)C(=O)OCCCC(C)(C)C#N ZINC000784734173 644764613 /nfs/dbraw/zinc/76/46/13/644764613.db2.gz HJZOUAFWTWJECV-LBPRGKRZSA-N 0 0 239.359 3.542 20 30 BHEDRN CCC(C)(CC)C(=O)OCCCC(C)(C)C#N ZINC000784755513 585866002 /nfs/dbraw/zinc/86/60/02/585866002.db2.gz JPCRXNYOOZIBQF-UHFFFAOYSA-N 0 0 239.359 3.686 20 30 BHEDRN C=CCCCCCOC(=O)C1(F)CCCC1 ZINC000784799931 585866468 /nfs/dbraw/zinc/86/64/68/585866468.db2.gz ANYIXNRLVUAXFE-UHFFFAOYSA-N 0 0 228.307 3.558 20 30 BHEDRN CC(C)(C#N)CCCOC(=O)C1=CCCCCC1 ZINC000784800583 585866426 /nfs/dbraw/zinc/86/64/26/585866426.db2.gz JSPVTLVLAHYYNW-UHFFFAOYSA-N 0 0 249.354 3.750 20 30 BHEDRN CC(C)(C#N)CCCOC(=O)C[C@@H]1C=CCCC1 ZINC000784832274 585866520 /nfs/dbraw/zinc/86/65/20/585866520.db2.gz MAKACROZLVGPME-CYBMUJFWSA-N 0 0 249.354 3.606 20 30 BHEDRN CC(C)(C#N)CCCOC(=O)C[C@H]1C=CCCC1 ZINC000784832275 585866375 /nfs/dbraw/zinc/86/63/75/585866375.db2.gz MAKACROZLVGPME-ZDUSSCGKSA-N 0 0 249.354 3.606 20 30 BHEDRN C=CCCOC(=O)c1ccc(-c2ccccc2)o1 ZINC000784838940 585866665 /nfs/dbraw/zinc/86/66/65/585866665.db2.gz AMGYLXXHVQYHOP-UHFFFAOYSA-N 0 0 242.274 3.680 20 30 BHEDRN CC[C@@H](C)CCCCC(=O)O[C@H](C#N)C(C)C ZINC000784860383 585867037 /nfs/dbraw/zinc/86/70/37/585867037.db2.gz VTDBHNPFQHXTTH-CHWSQXEVSA-N 0 0 239.359 3.684 20 30 BHEDRN CC[C@@H](C)CCCCC(=O)O[C@@H](C#N)C(C)C ZINC000784860384 585866950 /nfs/dbraw/zinc/86/69/50/585866950.db2.gz VTDBHNPFQHXTTH-OLZOCXBDSA-N 0 0 239.359 3.684 20 30 BHEDRN CC[C@H](C)CCCCC(=O)O[C@H](C#N)C(C)C ZINC000784860385 585867075 /nfs/dbraw/zinc/86/70/75/585867075.db2.gz VTDBHNPFQHXTTH-QWHCGFSZSA-N 0 0 239.359 3.684 20 30 BHEDRN CC[C@H](C)CCCCC(=O)O[C@@H](C#N)C(C)C ZINC000784860386 585867136 /nfs/dbraw/zinc/86/71/36/585867136.db2.gz VTDBHNPFQHXTTH-STQMWFEESA-N 0 0 239.359 3.684 20 30 BHEDRN CC(C)C(C)(C)C(=O)OCCCC(C)(C)C#N ZINC000784875390 585867373 /nfs/dbraw/zinc/86/73/73/585867373.db2.gz KZFBDIOJEJMXBL-UHFFFAOYSA-N 0 0 239.359 3.542 20 30 BHEDRN C=C[C@](C)(CC)C(=O)O[C@@H]1CCc2ccccc21 ZINC000784877702 585867380 /nfs/dbraw/zinc/86/73/80/585867380.db2.gz KXJLLUGHIJHVAW-GDBMZVCRSA-N 0 0 244.334 3.819 20 30 BHEDRN C=C[C@](C)(CC)C(=O)O[C@H]1CCc2ccccc21 ZINC000784877703 585867480 /nfs/dbraw/zinc/86/74/80/585867480.db2.gz KXJLLUGHIJHVAW-GOEBONIOSA-N 0 0 244.334 3.819 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)O[C@H]1CCc2ccccc21 ZINC000784877704 585867393 /nfs/dbraw/zinc/86/73/93/585867393.db2.gz KXJLLUGHIJHVAW-HOCLYGCPSA-N 0 0 244.334 3.819 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)O[C@@H]1CCc2ccccc21 ZINC000784877705 585867381 /nfs/dbraw/zinc/86/73/81/585867381.db2.gz KXJLLUGHIJHVAW-ZBFHGGJFSA-N 0 0 244.334 3.819 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)O[C@H](C)c1ccccc1 ZINC000784878505 585867435 /nfs/dbraw/zinc/86/74/35/585867435.db2.gz NIVCLPQOMLQVAK-DOMZBBRYSA-N 0 0 232.323 3.893 20 30 BHEDRN C=C[C@](C)(CC)C(=O)O[C@H](C)c1ccccc1 ZINC000784878506 585867538 /nfs/dbraw/zinc/86/75/38/585867538.db2.gz NIVCLPQOMLQVAK-IUODEOHRSA-N 0 0 232.323 3.893 20 30 BHEDRN C=C[C@](C)(CC)C(=O)O[C@@H](C)c1ccccc1 ZINC000784878508 585867399 /nfs/dbraw/zinc/86/73/99/585867399.db2.gz NIVCLPQOMLQVAK-SWLSCSKDSA-N 0 0 232.323 3.893 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)O[C@@H](C)c1ccccc1 ZINC000784878510 585867524 /nfs/dbraw/zinc/86/75/24/585867524.db2.gz NIVCLPQOMLQVAK-WFASDCNBSA-N 0 0 232.323 3.893 20 30 BHEDRN CC[C@@H](C)CCCCC(=O)OC1(C#N)CCC1 ZINC000784885568 585867764 /nfs/dbraw/zinc/86/77/64/585867764.db2.gz FFNOEDQVUAGYLP-GFCCVEGCSA-N 0 0 237.343 3.582 20 30 BHEDRN CC[C@H](C)CCCCC(=O)OC1(C#N)CCC1 ZINC000784885569 585867686 /nfs/dbraw/zinc/86/76/86/585867686.db2.gz FFNOEDQVUAGYLP-LBPRGKRZSA-N 0 0 237.343 3.582 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)C12CCC(CC1)C2 ZINC000784921971 585868586 /nfs/dbraw/zinc/86/85/86/585868586.db2.gz KKYRFFPKERMDMS-DNOWBOINSA-N 0 0 236.355 3.855 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)C12CCC(CC1)C2 ZINC000784921973 585868475 /nfs/dbraw/zinc/86/84/75/585868475.db2.gz KKYRFFPKERMDMS-OPFPJEHXSA-N 0 0 236.355 3.855 20 30 BHEDRN C=CCC1(C(=O)OCCCC(C)(C)C#N)CCC1 ZINC000784927288 585868828 /nfs/dbraw/zinc/86/88/28/585868828.db2.gz LWIIRTFADAEIRB-UHFFFAOYSA-N 0 0 249.354 3.606 20 30 BHEDRN CC[C@@H](C)CCCCC(=O)OCC(C)(C)C#N ZINC000784927886 585868800 /nfs/dbraw/zinc/86/88/00/585868800.db2.gz CQJKBNSJGOTIPN-GFCCVEGCSA-N 0 0 239.359 3.686 20 30 BHEDRN CC[C@H](C)CCCCC(=O)OCC(C)(C)C#N ZINC000784927887 585868852 /nfs/dbraw/zinc/86/88/52/585868852.db2.gz CQJKBNSJGOTIPN-LBPRGKRZSA-N 0 0 239.359 3.686 20 30 BHEDRN C=CCCCCCOC(=O)c1ccoc1Cl ZINC000784986359 585869467 /nfs/dbraw/zinc/86/94/67/585869467.db2.gz ADGPMBOZYANQBL-UHFFFAOYSA-N 0 0 242.702 3.836 20 30 BHEDRN CC(C)(C#N)CCCn1cnc(Cl)c1Cl ZINC000784992412 585869445 /nfs/dbraw/zinc/86/94/45/585869445.db2.gz PAZIUPSNJJDTFJ-UHFFFAOYSA-N 0 0 246.141 3.520 20 30 BHEDRN CCCCCCCCOC(=O)CC(C)(C)C#N ZINC000785077649 585870512 /nfs/dbraw/zinc/87/05/12/585870512.db2.gz GWMFYWLBYKSIKB-UHFFFAOYSA-N 0 0 239.359 3.830 20 30 BHEDRN CCCC[C@@H](CCC)OC(=O)CC(C)(C)C#N ZINC000785080579 712418800 /nfs/dbraw/zinc/41/88/00/712418800.db2.gz QZYSJVSEMSWDCF-GFCCVEGCSA-N 0 0 239.359 3.828 20 30 BHEDRN CCCC[C@H](CCC)OC(=O)CC(C)(C)C#N ZINC000785080580 712418806 /nfs/dbraw/zinc/41/88/06/712418806.db2.gz QZYSJVSEMSWDCF-LBPRGKRZSA-N 0 0 239.359 3.828 20 30 BHEDRN CCCC[C@@H](CC)COC(=O)CC(C)(C)C#N ZINC000785091859 585870696 /nfs/dbraw/zinc/87/06/96/585870696.db2.gz YYEBNRJUUQQUOC-GFCCVEGCSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCC[C@H](CC)COC(=O)CC(C)(C)C#N ZINC000785091861 585870635 /nfs/dbraw/zinc/87/06/35/585870635.db2.gz YYEBNRJUUQQUOC-LBPRGKRZSA-N 0 0 239.359 3.686 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)NC1CCCCCCC1 ZINC000785440812 585873845 /nfs/dbraw/zinc/87/38/45/585873845.db2.gz DPFIICSAJATNCD-HNNXBMFYSA-N 0 0 237.387 3.818 20 30 BHEDRN C=C[C@](C)(CC)C(=O)NC1CCCCCCC1 ZINC000785440814 585873748 /nfs/dbraw/zinc/87/37/48/585873748.db2.gz DPFIICSAJATNCD-OAHLLOKOSA-N 0 0 237.387 3.818 20 30 BHEDRN CCCC(N=Nc1ccccn1)c1ccsc1 ZINC000785449446 585874088 /nfs/dbraw/zinc/87/40/88/585874088.db2.gz KDAIGHBRDWQUSM-UHFFFAOYSA-N 0 0 245.351 3.759 20 30 BHEDRN CC(C)[C@H]1CC[C@@H](C)CC1N=Nc1ccccn1 ZINC000785449818 585873992 /nfs/dbraw/zinc/87/39/92/585873992.db2.gz OCEAWIHCOOVJPO-CHWSQXEVSA-N 0 0 245.370 3.942 20 30 BHEDRN Cc1cc(C=NNc2cc(C)ccc2C)sn1 ZINC000785450562 585873991 /nfs/dbraw/zinc/87/39/91/585873991.db2.gz HNTXUXBEKPYGGO-UHFFFAOYSA-N 0 0 245.351 3.514 20 30 BHEDRN Cc1cc(C=NNc2cc(C)cc(C)c2)sn1 ZINC000785451813 585873829 /nfs/dbraw/zinc/87/38/29/585873829.db2.gz WQGPIWVPAFDSNO-UHFFFAOYSA-N 0 0 245.351 3.514 20 30 BHEDRN CCCC(=NNC1CCCC1)c1ccsc1 ZINC000785454981 585874005 /nfs/dbraw/zinc/87/40/05/585874005.db2.gz ZITLAIOBCXQKCS-UHFFFAOYSA-N 0 0 236.384 3.785 20 30 BHEDRN C#CCCCC(=O)Nc1ccc(C2CCC2)cc1 ZINC000785456478 585874122 /nfs/dbraw/zinc/87/41/22/585874122.db2.gz VDVBGMWVVSTVRR-UHFFFAOYSA-N 0 0 241.334 3.696 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Oc1ccc(C)cc1 ZINC000785469471 585874333 /nfs/dbraw/zinc/87/43/33/585874333.db2.gz MUJBHNHHFGVEKU-AWEZNQCLSA-N 0 0 218.296 3.503 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Oc1ccc(C)cc1 ZINC000785469474 585874348 /nfs/dbraw/zinc/87/43/48/585874348.db2.gz MUJBHNHHFGVEKU-CQSZACIVSA-N 0 0 218.296 3.503 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Oc1ccc(OCC)cc1 ZINC000785470045 585874154 /nfs/dbraw/zinc/87/41/54/585874154.db2.gz RBGKXWNJXFTEHI-HNNXBMFYSA-N 0 0 248.322 3.593 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Oc1ccc(OCC)cc1 ZINC000785470047 585874366 /nfs/dbraw/zinc/87/43/66/585874366.db2.gz RBGKXWNJXFTEHI-OAHLLOKOSA-N 0 0 248.322 3.593 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Oc1ccc(Cl)cc1 ZINC000785471114 585874206 /nfs/dbraw/zinc/87/42/06/585874206.db2.gz XVNVLKXCWRPOQI-CYBMUJFWSA-N 0 0 238.714 3.848 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Oc1ccc(Cl)cc1 ZINC000785471115 585874318 /nfs/dbraw/zinc/87/43/18/585874318.db2.gz XVNVLKXCWRPOQI-ZDUSSCGKSA-N 0 0 238.714 3.848 20 30 BHEDRN C#CCCCS[C@H](C)c1cccc(C#N)c1 ZINC000785533863 585875118 /nfs/dbraw/zinc/87/51/18/585875118.db2.gz IKIVKEHSNGIPLD-GFCCVEGCSA-N 0 0 229.348 3.766 20 30 BHEDRN C#CCCCS[C@@H](C)c1cccc(C#N)c1 ZINC000785533868 585875304 /nfs/dbraw/zinc/87/53/04/585875304.db2.gz IKIVKEHSNGIPLD-LBPRGKRZSA-N 0 0 229.348 3.766 20 30 BHEDRN CCCCCCCSCCC1(O)CC1 ZINC000785538299 585875574 /nfs/dbraw/zinc/87/55/74/585875574.db2.gz VNZSJNXOWBVASP-UHFFFAOYSA-N 0 0 216.390 3.605 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N(C)c1ccc(C)c(C)c1 ZINC000785589772 585876176 /nfs/dbraw/zinc/87/61/76/585876176.db2.gz DNMUSOKFQVTXCA-INIZCTEOSA-N 0 0 245.366 3.869 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N(C)c1ccc(C)c(C)c1 ZINC000785589773 585876230 /nfs/dbraw/zinc/87/62/30/585876230.db2.gz DNMUSOKFQVTXCA-MRXNPFEDSA-N 0 0 245.366 3.869 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)NCc1c(C)cccc1C ZINC000785597191 585876216 /nfs/dbraw/zinc/87/62/16/585876216.db2.gz IWIXMIBQKPDKCI-INIZCTEOSA-N 0 0 245.366 3.522 20 30 BHEDRN C=C[C@](C)(CC)C(=O)NCc1c(C)cccc1C ZINC000785597192 585876294 /nfs/dbraw/zinc/87/62/94/585876294.db2.gz IWIXMIBQKPDKCI-MRXNPFEDSA-N 0 0 245.366 3.522 20 30 BHEDRN C#CCCCCCC(=O)N[C@H]1CCCC(C)(C)C1 ZINC000785597459 585876155 /nfs/dbraw/zinc/87/61/55/585876155.db2.gz ILNTTXHEECRLHB-AWEZNQCLSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000785597461 585876260 /nfs/dbraw/zinc/87/62/60/585876260.db2.gz ILNTTXHEECRLHB-CQSZACIVSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCCCC(=O)N[C@H]1CCC[C@@H](C)CC1 ZINC000785613251 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585888871 /nfs/dbraw/zinc/88/88/71/585888871.db2.gz SNMFJHPKOYFILE-AWEZNQCLSA-N 0 0 239.403 3.873 20 30 BHEDRN C=CCCN(C)C(=O)[C@H](CCCCC)C(C)C ZINC000786223851 585889036 /nfs/dbraw/zinc/88/90/36/585889036.db2.gz SNMFJHPKOYFILE-CQSZACIVSA-N 0 0 239.403 3.873 20 30 BHEDRN C=CCCN(C)C(=O)C=C(CCC)CCC ZINC000786223853 585889023 /nfs/dbraw/zinc/88/90/23/585889023.db2.gz SOGZHIJSZIRBJZ-UHFFFAOYSA-N 0 0 223.360 3.548 20 30 BHEDRN C=CCCN(C)C(=O)C(C)(C)C1CCCCC1 ZINC000786223990 585888967 /nfs/dbraw/zinc/88/89/67/585888967.db2.gz ULSMRRMJZZOTIA-UHFFFAOYSA-N 0 0 237.387 3.627 20 30 BHEDRN C=CCCN(C)C(=O)[C@H](CC)CCCCC ZINC000786224451 585888993 /nfs/dbraw/zinc/88/89/93/585888993.db2.gz JFOCEEUKWSTVFM-CYBMUJFWSA-N 0 0 225.376 3.627 20 30 BHEDRN C=CCCN(C)C(=O)[C@@H](CC)CCCCC ZINC000786224452 585888853 /nfs/dbraw/zinc/88/88/53/585888853.db2.gz JFOCEEUKWSTVFM-ZDUSSCGKSA-N 0 0 225.376 3.627 20 30 BHEDRN C=CCCN(C)C(=O)CCCCCCCC ZINC000786224605 585888935 /nfs/dbraw/zinc/88/89/35/585888935.db2.gz YSMWNSHHKZFRCJ-UHFFFAOYSA-N 0 0 225.376 3.772 20 30 BHEDRN C=CCCN(C)C(=O)c1ccc([C@H](C)CC)cc1 ZINC000786224639 585888863 /nfs/dbraw/zinc/88/88/63/585888863.db2.gz ZAXQPJZOCWLQGY-CYBMUJFWSA-N 0 0 245.366 3.848 20 30 BHEDRN C=CCCN(C)C(=O)c1ccc([C@@H](C)CC)cc1 ZINC000786224642 585888983 /nfs/dbraw/zinc/88/89/83/585888983.db2.gz ZAXQPJZOCWLQGY-ZDUSSCGKSA-N 0 0 245.366 3.848 20 30 BHEDRN C=CCCN(C)C(=O)[C@H](C)CCCCCC ZINC000786224659 585888858 /nfs/dbraw/zinc/88/88/58/585888858.db2.gz ZHBDLNHDUPRQBR-CYBMUJFWSA-N 0 0 225.376 3.627 20 30 BHEDRN C=CCCN(C)C(=O)[C@@H](C)CCCCCC ZINC000786224661 585888921 /nfs/dbraw/zinc/88/89/21/585888921.db2.gz ZHBDLNHDUPRQBR-ZDUSSCGKSA-N 0 0 225.376 3.627 20 30 BHEDRN CC(C)(C#N)CC(=O)OC1CCCCCCC1 ZINC000786329133 585889614 /nfs/dbraw/zinc/88/96/14/585889614.db2.gz NQBMUAVPZLKKOV-UHFFFAOYSA-N 0 0 237.343 3.582 20 30 BHEDRN CCCCCC[C@@H](C)OC(=O)CC(C)(C)C#N ZINC000786340473 585889438 /nfs/dbraw/zinc/88/94/38/585889438.db2.gz BIWSZYVQJNUDRB-GFCCVEGCSA-N 0 0 239.359 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ZINC000786460344 585891867 /nfs/dbraw/zinc/89/18/67/585891867.db2.gz DWLSLOOMYWZABE-QMMMGPOBSA-N 0 0 230.716 3.523 20 30 BHEDRN C=C(C)[C@@H](C)OC(=O)c1csc(Cl)c1 ZINC000786460693 585892135 /nfs/dbraw/zinc/89/21/35/585892135.db2.gz WTRPVUQCBIQXKQ-SSDOTTSWSA-N 0 0 230.716 3.523 20 30 BHEDRN C=C(C)[C@H](C)OC(=O)c1csc(Cl)c1 ZINC000786460695 585891970 /nfs/dbraw/zinc/89/19/70/585891970.db2.gz WTRPVUQCBIQXKQ-ZETCQYMHSA-N 0 0 230.716 3.523 20 30 BHEDRN C=C(C)CCOC(=O)c1csc(Cl)c1 ZINC000786461702 585892064 /nfs/dbraw/zinc/89/20/64/585892064.db2.gz UCFBDPJEDMLMKC-UHFFFAOYSA-N 0 0 230.716 3.525 20 30 BHEDRN C=CC[C@@H](OC(=O)[C@@H]1C[C@H]1C)c1ccccc1 ZINC000786465917 585891969 /nfs/dbraw/zinc/89/19/69/585891969.db2.gz OYROBMXHWLJJTJ-MRVWCRGKSA-N 0 0 230.307 3.503 20 30 BHEDRN CCCC(C)(C)CC(=O)O[C@H](C)C(C)(C)C#N ZINC000786470571 585892173 /nfs/dbraw/zinc/89/21/73/585892173.db2.gz QMBLPEKPVRJRJW-LLVKDONJSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCC(C)(C)CC(=O)O[C@@H](C)C(C)(C)C#N ZINC000786470572 585892305 /nfs/dbraw/zinc/89/23/05/585892305.db2.gz QMBLPEKPVRJRJW-NSHDSACASA-N 0 0 239.359 3.684 20 30 BHEDRN C=CCCC[C@@H](C)OC(=O)C1(SC)CCC1 ZINC000786477057 585892459 /nfs/dbraw/zinc/89/24/59/585892459.db2.gz MDCGKEMEWVSJTE-LLVKDONJSA-N 0 0 242.384 3.560 20 30 BHEDRN C=CCCC[C@H](C)OC(=O)C1(SC)CCC1 ZINC000786477058 585892499 /nfs/dbraw/zinc/89/24/99/585892499.db2.gz MDCGKEMEWVSJTE-NSHDSACASA-N 0 0 242.384 3.560 20 30 BHEDRN CCCC(C)(C)CC(=O)O[C@H](C#N)C(C)(C)C ZINC000786488316 644776771 /nfs/dbraw/zinc/77/67/71/644776771.db2.gz RVXBBVIKXBIWNT-LLVKDONJSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCC(C)(C)CC(=O)O[C@@H](C#N)C(C)(C)C ZINC000786488318 644776955 /nfs/dbraw/zinc/77/69/55/644776955.db2.gz RVXBBVIKXBIWNT-NSHDSACASA-N 0 0 239.359 3.684 20 30 BHEDRN CCCC(C)(C)CC(=O)OCC(C)(C)CC#N ZINC000786498191 585892730 /nfs/dbraw/zinc/89/27/30/585892730.db2.gz VISSSPZRCWQTSH-UHFFFAOYSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCCCCCC(=O)O[C@H](C)C(F)F ZINC000786515876 585893637 /nfs/dbraw/zinc/89/36/37/585893637.db2.gz RQXJKXQOPGDIOA-SECBINFHSA-N 0 0 222.275 3.544 20 30 BHEDRN CCCCCCCC(=O)O[C@@H](C)C(F)F ZINC000786515877 585893724 /nfs/dbraw/zinc/89/37/24/585893724.db2.gz RQXJKXQOPGDIOA-VIFPVBQESA-N 0 0 222.275 3.544 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)c1ccccc1F ZINC000786517868 584021540 /nfs/dbraw/zinc/02/15/40/584021540.db2.gz DYCVTSNJVGMGNL-AWEZNQCLSA-N 0 0 236.286 3.585 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)c1ccccc1F ZINC000786517872 584021533 /nfs/dbraw/zinc/02/15/33/584021533.db2.gz DYCVTSNJVGMGNL-CQSZACIVSA-N 0 0 236.286 3.585 20 30 BHEDRN C#CCCCCCC(=O)OC[C@@](C)(C=C)CC ZINC000786520513 585893803 /nfs/dbraw/zinc/89/38/03/585893803.db2.gz NWSNMZZDFPBGQG-HNNXBMFYSA-N 0 0 236.355 3.716 20 30 BHEDRN C#CCCCCCC(=O)OC[C@](C)(C=C)CC ZINC000786520514 584021713 /nfs/dbraw/zinc/02/17/13/584021713.db2.gz NWSNMZZDFPBGQG-OAHLLOKOSA-N 0 0 236.355 3.716 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)CCCCSC ZINC000786520516 584022194 /nfs/dbraw/zinc/02/21/94/584022194.db2.gz NZCVTETUYHRRHJ-CYBMUJFWSA-N 0 0 244.400 3.665 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)CCCCSC ZINC000786520523 584022202 /nfs/dbraw/zinc/02/22/02/584022202.db2.gz NZCVTETUYHRRHJ-ZDUSSCGKSA-N 0 0 244.400 3.665 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)C(C1CC1)C1CC1 ZINC000786521008 585893999 /nfs/dbraw/zinc/89/39/99/585893999.db2.gz QJUWETTXJXEJSW-HNNXBMFYSA-N 0 0 236.355 3.568 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)C(C1CC1)C1CC1 ZINC000786521013 585894037 /nfs/dbraw/zinc/89/40/37/585894037.db2.gz QJUWETTXJXEJSW-OAHLLOKOSA-N 0 0 236.355 3.568 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)C12CCC(CC1)C2 ZINC000786521480 584022113 /nfs/dbraw/zinc/02/21/13/584022113.db2.gz SAOLGOGLZWPBPA-BLZCZZARSA-N 0 0 236.355 3.712 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)C12CCC(CC1)C2 ZINC000786521481 584021752 /nfs/dbraw/zinc/02/17/52/584021752.db2.gz SAOLGOGLZWPBPA-HNFVBEJKSA-N 0 0 236.355 3.712 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)C(C)(C)CC ZINC000786522146 585894160 /nfs/dbraw/zinc/89/41/60/585894160.db2.gz WBPCAIDWGCXBNR-CYBMUJFWSA-N 0 0 212.333 3.568 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)C(C)(C)CC ZINC000786522147 585894006 /nfs/dbraw/zinc/89/40/06/585894006.db2.gz WBPCAIDWGCXBNR-ZDUSSCGKSA-N 0 0 212.333 3.568 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)c1ccc(Cl)o1 ZINC000786523235 585894232 /nfs/dbraw/zinc/89/42/32/585894232.db2.gz FQDSNGRNCJHVQD-GFCCVEGCSA-N 0 0 242.702 3.692 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)c1ccc(Cl)o1 ZINC000786523236 585894261 /nfs/dbraw/zinc/89/42/61/585894261.db2.gz FQDSNGRNCJHVQD-LBPRGKRZSA-N 0 0 242.702 3.692 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)CC[C@H](C)SC ZINC000786523401 585894371 /nfs/dbraw/zinc/89/43/71/585894371.db2.gz HIKWJZWTOXPJMT-AAEUAGOBSA-N 0 0 244.400 3.664 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)CC[C@@H](C)SC ZINC000786523402 585894250 /nfs/dbraw/zinc/89/42/50/585894250.db2.gz HIKWJZWTOXPJMT-DGCLKSJQSA-N 0 0 244.400 3.664 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)CC[C@H](C)SC ZINC000786523403 585894379 /nfs/dbraw/zinc/89/43/79/585894379.db2.gz HIKWJZWTOXPJMT-WCQYABFASA-N 0 0 244.400 3.664 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)CC[C@@H](C)SC ZINC000786523404 585894349 /nfs/dbraw/zinc/89/43/49/585894349.db2.gz HIKWJZWTOXPJMT-YPMHNXCESA-N 0 0 244.400 3.664 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)[C@@H](C)CC(=C)C ZINC000786525117 585894353 /nfs/dbraw/zinc/89/43/53/585894353.db2.gz SSYAXUCPFYOHOG-GXTWGEPZSA-N 0 0 224.344 3.734 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)[C@@H](C)CC(=C)C ZINC000786525119 585894393 /nfs/dbraw/zinc/89/43/93/585894393.db2.gz SSYAXUCPFYOHOG-JSGCOSHPSA-N 0 0 224.344 3.734 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)[C@H](C)CC(=C)C ZINC000786525120 585894328 /nfs/dbraw/zinc/89/43/28/585894328.db2.gz SSYAXUCPFYOHOG-OCCSQVGLSA-N 0 0 224.344 3.734 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)[C@H](C)CC(=C)C ZINC000786525121 585894257 /nfs/dbraw/zinc/89/42/57/585894257.db2.gz SSYAXUCPFYOHOG-TZMCWYRMSA-N 0 0 224.344 3.734 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)CCC(C)(F)F ZINC000786525196 585894242 /nfs/dbraw/zinc/89/42/42/585894242.db2.gz UBURFHHDTHHUQH-LLVKDONJSA-N 0 0 234.286 3.567 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)CCC(C)(F)F ZINC000786525198 585894329 /nfs/dbraw/zinc/89/43/29/585894329.db2.gz UBURFHHDTHHUQH-NSHDSACASA-N 0 0 234.286 3.567 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)c1ccsc1 ZINC000786526358 585894535 /nfs/dbraw/zinc/89/45/35/585894535.db2.gz YQZARDFDHACTCL-GFCCVEGCSA-N 0 0 224.325 3.507 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)c1ccsc1 ZINC000786526361 585894577 /nfs/dbraw/zinc/89/45/77/585894577.db2.gz YQZARDFDHACTCL-LBPRGKRZSA-N 0 0 224.325 3.507 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)CSC(C)(C)C ZINC000786526697 585894408 /nfs/dbraw/zinc/89/44/08/585894408.db2.gz AJYOWFFFKXIXFA-CYBMUJFWSA-N 0 0 244.400 3.664 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)CSC(C)(C)C ZINC000786526703 585894599 /nfs/dbraw/zinc/89/45/99/585894599.db2.gz AJYOWFFFKXIXFA-ZDUSSCGKSA-N 0 0 244.400 3.664 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)[C@H](C)c1ccco1 ZINC000786527631 584023871 /nfs/dbraw/zinc/02/38/71/584023871.db2.gz KJVQXJCJXCSABF-BXUZGUMPSA-N 0 0 236.311 3.529 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)[C@@H](C)c1ccco1 ZINC000786527634 584023717 /nfs/dbraw/zinc/02/37/17/584023717.db2.gz KJVQXJCJXCSABF-FZMZJTMJSA-N 0 0 236.311 3.529 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)[C@H](C)c1ccco1 ZINC000786527715 584023739 /nfs/dbraw/zinc/02/37/39/584023739.db2.gz KJVQXJCJXCSABF-RISCZKNCSA-N 0 0 236.311 3.529 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)[C@@H](C)c1ccco1 ZINC000786527720 584023777 /nfs/dbraw/zinc/02/37/77/584023777.db2.gz KJVQXJCJXCSABF-SMDDNHRTSA-N 0 0 236.311 3.529 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)CC(C)(C)C ZINC000786527822 585894433 /nfs/dbraw/zinc/89/44/33/585894433.db2.gz GGVNCARIUPPQEL-CYBMUJFWSA-N 0 0 212.333 3.568 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)CC(C)(C)C ZINC000786527825 585894410 /nfs/dbraw/zinc/89/44/10/585894410.db2.gz GGVNCARIUPPQEL-ZDUSSCGKSA-N 0 0 212.333 3.568 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)C[C@H](C)n1cccc1 ZINC000786529207 585894767 /nfs/dbraw/zinc/89/47/67/585894767.db2.gz KULDEGDDVQIINL-DZGCQCFKSA-N 0 0 249.354 3.585 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)C[C@@H](C)n1cccc1 ZINC000786529208 585894710 /nfs/dbraw/zinc/89/47/10/585894710.db2.gz KULDEGDDVQIINL-HIFRSBDPSA-N 0 0 249.354 3.585 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)C[C@@H](C)n1cccc1 ZINC000786529209 585894635 /nfs/dbraw/zinc/89/46/35/585894635.db2.gz KULDEGDDVQIINL-UKRRQHHQSA-N 0 0 249.354 3.585 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)C[C@H](C)n1cccc1 ZINC000786529210 585894699 /nfs/dbraw/zinc/89/46/99/585894699.db2.gz KULDEGDDVQIINL-ZFWWWQNUSA-N 0 0 249.354 3.585 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)c1cccs1 ZINC000786529874 585894736 /nfs/dbraw/zinc/89/47/36/585894736.db2.gz XZRSOPKHCIXJBX-GFCCVEGCSA-N 0 0 224.325 3.507 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)c1cccs1 ZINC000786529875 585894782 /nfs/dbraw/zinc/89/47/82/585894782.db2.gz XZRSOPKHCIXJBX-LBPRGKRZSA-N 0 0 224.325 3.507 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Oc1ccccc1Cl ZINC000786607688 584026758 /nfs/dbraw/zinc/02/67/58/584026758.db2.gz ABOCDWIMHUZRSF-CYBMUJFWSA-N 0 0 238.714 3.848 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Oc1ccccc1Cl ZINC000786607698 584027056 /nfs/dbraw/zinc/02/70/56/584027056.db2.gz ABOCDWIMHUZRSF-ZDUSSCGKSA-N 0 0 238.714 3.848 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Oc1ccc(C)c(C)c1 ZINC000786608479 644779563 /nfs/dbraw/zinc/77/95/63/644779563.db2.gz IEHVOTCZRNLDOX-HNNXBMFYSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Oc1ccc(C)c(C)c1 ZINC000786608481 644778468 /nfs/dbraw/zinc/77/84/68/644778468.db2.gz IEHVOTCZRNLDOX-OAHLLOKOSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Oc1cccc(Cl)c1 ZINC000786609180 644778656 /nfs/dbraw/zinc/77/86/56/644778656.db2.gz LYGRYFMDKNKZPE-CYBMUJFWSA-N 0 0 238.714 3.848 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Oc1cccc(Cl)c1 ZINC000786609181 644779534 /nfs/dbraw/zinc/77/95/34/644779534.db2.gz LYGRYFMDKNKZPE-ZDUSSCGKSA-N 0 0 238.714 3.848 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Oc1cc(C)ccc1C ZINC000786609878 644779243 /nfs/dbraw/zinc/77/92/43/644779243.db2.gz UDEKWGPNJKGUMQ-HNNXBMFYSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Oc1cc(C)ccc1C ZINC000786609882 644779435 /nfs/dbraw/zinc/77/94/35/644779435.db2.gz UDEKWGPNJKGUMQ-OAHLLOKOSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Oc1ccccc1C ZINC000786609907 644778360 /nfs/dbraw/zinc/77/83/60/644778360.db2.gz UKUMOQSJERJMNM-AWEZNQCLSA-N 0 0 218.296 3.503 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Oc1ccccc1C ZINC000786609927 644779068 /nfs/dbraw/zinc/77/90/68/644779068.db2.gz UKUMOQSJERJMNM-CQSZACIVSA-N 0 0 218.296 3.503 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Oc1cccc(C)c1C ZINC000786610219 644779076 /nfs/dbraw/zinc/77/90/76/644779076.db2.gz OGFLSKDEOJDCCU-HNNXBMFYSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Oc1cccc(C)c1C ZINC000786610222 644779441 /nfs/dbraw/zinc/77/94/41/644779441.db2.gz OGFLSKDEOJDCCU-OAHLLOKOSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Oc1ccc(C)cc1C ZINC000786611296 644778827 /nfs/dbraw/zinc/77/88/27/644778827.db2.gz WZAUVBLYCLZQBL-HNNXBMFYSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Oc1ccc(C)cc1C ZINC000786611298 644778377 /nfs/dbraw/zinc/77/83/77/644778377.db2.gz WZAUVBLYCLZQBL-OAHLLOKOSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Oc1ccc(F)c(C)c1 ZINC000786639653 585895979 /nfs/dbraw/zinc/89/59/79/585895979.db2.gz VYCAEBHYDRQBJG-AWEZNQCLSA-N 0 0 236.286 3.642 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Oc1ccc(F)c(C)c1 ZINC000786639655 585896075 /nfs/dbraw/zinc/89/60/75/585896075.db2.gz VYCAEBHYDRQBJG-CQSZACIVSA-N 0 0 236.286 3.642 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)Oc1ccc(F)cc1C ZINC000786642069 584028262 /nfs/dbraw/zinc/02/82/62/584028262.db2.gz MYKWUWLUSKKLAA-AWEZNQCLSA-N 0 0 236.286 3.642 20 30 BHEDRN C=C[C@](C)(CC)C(=O)Oc1ccc(F)cc1C ZINC000786642073 584028116 /nfs/dbraw/zinc/02/81/16/584028116.db2.gz MYKWUWLUSKKLAA-CQSZACIVSA-N 0 0 236.286 3.642 20 30 BHEDRN C=CCc1ccccc1OCc1ccc(F)cn1 ZINC000786739727 585896954 /nfs/dbraw/zinc/89/69/54/585896954.db2.gz XZOKKHSPYLBALX-UHFFFAOYSA-N 0 0 243.281 3.528 20 30 BHEDRN Clc1ccc(/C=C\CON=C2CCC2)cc1 ZINC000786741296 585896803 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0 0 239.318 3.644 20 30 BHEDRN C#Cc1cccc(NCc2cccc(CC)c2)c1 ZINC000786762676 585897425 /nfs/dbraw/zinc/89/74/25/585897425.db2.gz OAMZHEDRSGSMIN-UHFFFAOYSA-N 0 0 235.330 3.842 20 30 BHEDRN C=CCCCn1c(=O)ccc2ccc(Cl)cc21 ZINC000786893177 585898341 /nfs/dbraw/zinc/89/83/41/585898341.db2.gz FDQKIYUYBONLKM-UHFFFAOYSA-N 0 0 247.725 3.621 20 30 BHEDRN CCCCCCCCOC(=O)[C@H]1CCC=CO1 ZINC000787034484 585900180 /nfs/dbraw/zinc/90/01/80/585900180.db2.gz YYBQDUYGWRQGDY-CYBMUJFWSA-N 0 0 240.343 3.583 20 30 BHEDRN CCCCCCCCOC(=O)[C@@H]1CCC=CO1 ZINC000787034485 585900100 /nfs/dbraw/zinc/90/01/00/585900100.db2.gz YYBQDUYGWRQGDY-ZDUSSCGKSA-N 0 0 240.343 3.583 20 30 BHEDRN CCCCC[C@@H](C)CC(=O)O[C@H](CC)CC#N ZINC000787077348 585900521 /nfs/dbraw/zinc/90/05/21/585900521.db2.gz BQSBOUWXRFFGDK-CHWSQXEVSA-N 0 0 239.359 3.828 20 30 BHEDRN CCCCC[C@@H](C)CC(=O)O[C@@H](CC)CC#N ZINC000787077349 585900515 /nfs/dbraw/zinc/90/05/15/585900515.db2.gz BQSBOUWXRFFGDK-OLZOCXBDSA-N 0 0 239.359 3.828 20 30 BHEDRN 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585903638 /nfs/dbraw/zinc/90/36/38/585903638.db2.gz AMYGEBBIAZOGDA-UHFFFAOYSA-N 0 0 242.384 3.562 20 30 BHEDRN CCCCCCCCC(=O)N[C@@H]1[C@@H]2CCC[C@@H]21 ZINC000787723011 585914681 /nfs/dbraw/zinc/91/46/81/585914681.db2.gz SGDVCIPTXHPYRM-AGGWBTHJSA-N 0 0 237.387 3.652 20 30 BHEDRN CCCCCCCCC(=O)N[C@H]1[C@@H]2CCC[C@@H]21 ZINC000787723021 585914818 /nfs/dbraw/zinc/91/48/18/585914818.db2.gz SGDVCIPTXHPYRM-NHAGDIPZSA-N 0 0 237.387 3.652 20 30 BHEDRN Cc1ccc(N(C)C[C@H](C)CCC#N)c(C)c1 ZINC000787777815 585915939 /nfs/dbraw/zinc/91/59/39/585915939.db2.gz UJSXWSHKDJVGLL-CYBMUJFWSA-N 0 0 230.355 3.680 20 30 BHEDRN Cc1ccc(N(C)C[C@@H](C)CCC#N)c(C)c1 ZINC000787777828 585915997 /nfs/dbraw/zinc/91/59/97/585915997.db2.gz UJSXWSHKDJVGLL-ZDUSSCGKSA-N 0 0 230.355 3.680 20 30 BHEDRN CCCCCCCCC[C@@H](C)CC(=O)NO ZINC000787866889 585917088 /nfs/dbraw/zinc/91/70/88/585917088.db2.gz GRRVSDQQALXOBG-GFCCVEGCSA-N 0 0 229.364 3.659 20 30 BHEDRN CCCCCCCCC[C@H](C)CC(=O)NO ZINC000787866890 585917029 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/nfs/dbraw/zinc/95/88/16/585958816.db2.gz FLCKWDRZUGXTOK-UHFFFAOYSA-N 0 0 246.137 3.948 20 30 BHEDRN CCC(CC)NN=Cc1ccsc1Cl ZINC000790164778 585958980 /nfs/dbraw/zinc/95/89/80/585958980.db2.gz ZMQBZPZLWBYCMV-UHFFFAOYSA-N 0 0 230.764 3.514 20 30 BHEDRN CCCCCCCCS(=O)(=O)C(CC)CC ZINC000790170663 585959198 /nfs/dbraw/zinc/95/91/98/585959198.db2.gz CKPCKGCHMZGIDX-UHFFFAOYSA-N 0 0 248.432 3.950 20 30 BHEDRN Clc1sccc1C=NOC1CCCC1 ZINC000790171670 585959137 /nfs/dbraw/zinc/95/91/37/585959137.db2.gz ZKMMMEKUHGZMPZ-UHFFFAOYSA-N 0 0 229.732 3.695 20 30 BHEDRN Clc1sccc1C=NNC1CCCCC1 ZINC000790173502 585959234 /nfs/dbraw/zinc/95/92/34/585959234.db2.gz HTXDPPROOAVFOX-UHFFFAOYSA-N 0 0 242.775 3.658 20 30 BHEDRN CCCCCCCCS(=O)(=O)C[C@H](C)CC ZINC000790173786 585959252 /nfs/dbraw/zinc/95/92/52/585959252.db2.gz NIGBKGVXFHDPHT-CYBMUJFWSA-N 0 0 248.432 3.808 20 30 BHEDRN CCCCCCCCS(=O)(=O)C[C@@H](C)CC ZINC000790174060 585959315 /nfs/dbraw/zinc/95/93/15/585959315.db2.gz NIGBKGVXFHDPHT-ZDUSSCGKSA-N 0 0 248.432 3.808 20 30 BHEDRN CC(C)(C)CCNN=Cc1ccsc1Cl ZINC000790174604 585959434 /nfs/dbraw/zinc/95/94/34/585959434.db2.gz UMHYGHVWSMDISX-UHFFFAOYSA-N 0 0 244.791 3.761 20 30 BHEDRN COC1(C=NOC2CCCCC2)CCCCC1 ZINC000790176135 585959540 /nfs/dbraw/zinc/95/95/40/585959540.db2.gz NJBGNTCYSPPIMJ-UHFFFAOYSA-N 0 0 239.359 3.671 20 30 BHEDRN CCC(CC)CNN=Cc1ccsc1Cl ZINC000790176591 585959537 /nfs/dbraw/zinc/95/95/37/585959537.db2.gz QUFQXOYHIBJDGT-UHFFFAOYSA-N 0 0 244.791 3.761 20 30 BHEDRN CCC(C)=NN1CCC(C(C)(C)C)CC1 ZINC000790179095 585959382 /nfs/dbraw/zinc/95/93/82/585959382.db2.gz RVFDZRJRGKVBIP-UHFFFAOYSA-N 0 0 210.365 3.530 20 30 BHEDRN CC(C)(C)C1CCN(N=C2CCCC2)CC1 ZINC000790179430 585959362 /nfs/dbraw/zinc/95/93/62/585959362.db2.gz YDAMOSXVSFPEKG-UHFFFAOYSA-N 0 0 222.376 3.675 20 30 BHEDRN Cc1ccoc1C=NN1CCC(C(C)(C)C)CC1 ZINC000790180251 585254973 /nfs/dbraw/zinc/25/49/73/585254973.db2.gz DMPYDUQQTSEBEB-UHFFFAOYSA-N 0 0 248.370 3.680 20 30 BHEDRN CCC(C)=NNCc1cccc(Cl)c1Cl ZINC000790181090 585959449 /nfs/dbraw/zinc/95/94/49/585959449.db2.gz MYNXBFCXAICSGO-UHFFFAOYSA-N 0 0 245.153 3.869 20 30 BHEDRN Cc1ccc(C=NN2CCC(C(C)(C)C)CC2)o1 ZINC000790181418 585256337 /nfs/dbraw/zinc/25/63/37/585256337.db2.gz PYHROLQJRYNFCZ-UHFFFAOYSA-N 0 0 248.370 3.680 20 30 BHEDRN CC[C@H](C)NN=C(C)C[C@H](C)CC(C)C ZINC000790181541 585959717 /nfs/dbraw/zinc/95/97/17/585959717.db2.gz FFEBCSXZRDGIAG-NEPJUHHUSA-N 0 0 212.381 3.823 20 30 BHEDRN CC[C@@H](C)NN=C(C)C[C@@H](C)CC(C)C ZINC000790181556 585959817 /nfs/dbraw/zinc/95/98/17/585959817.db2.gz FFEBCSXZRDGIAG-NWDGAFQWSA-N 0 0 212.381 3.823 20 30 BHEDRN CC[C@H](C)NN=C(C)C[C@@H](C)CC(C)C ZINC000790181557 585959770 /nfs/dbraw/zinc/95/97/70/585959770.db2.gz FFEBCSXZRDGIAG-RYUDHWBXSA-N 0 0 212.381 3.823 20 30 BHEDRN CC[C@@H](C)NN=C(C)C[C@H](C)CC(C)C ZINC000790181558 585959618 /nfs/dbraw/zinc/95/96/18/585959618.db2.gz FFEBCSXZRDGIAG-VXGBXAGGSA-N 0 0 212.381 3.823 20 30 BHEDRN CC[C@@H](C)NN=C(C)CCc1ccc(F)cc1 ZINC000790181908 585959751 /nfs/dbraw/zinc/95/97/51/585959751.db2.gz AKLJYYCUXHWABF-LLVKDONJSA-N 0 0 236.334 3.522 20 30 BHEDRN CC[C@H](C)NN=C(C)CCc1ccc(F)cc1 ZINC000790181910 585959734 /nfs/dbraw/zinc/95/97/34/585959734.db2.gz AKLJYYCUXHWABF-NSHDSACASA-N 0 0 236.334 3.522 20 30 BHEDRN CC[C@@H](C)NN=Cc1ccc(-c2ccccc2)o1 ZINC000790181957 585959760 /nfs/dbraw/zinc/95/97/60/585959760.db2.gz HEGMBZKSYCTVKF-GFCCVEGCSA-N 0 0 242.322 3.669 20 30 BHEDRN CC[C@H](C)NN=Cc1ccc(-c2ccccc2)o1 ZINC000790181964 585959724 /nfs/dbraw/zinc/95/97/24/585959724.db2.gz HEGMBZKSYCTVKF-LBPRGKRZSA-N 0 0 242.322 3.669 20 30 BHEDRN CC[C@@H](C)NN=C(C)[C@H](C)c1ccccc1 ZINC000790182113 585959705 /nfs/dbraw/zinc/95/97/05/585959705.db2.gz BLLKRCARANHTBG-NEPJUHHUSA-N 0 0 218.344 3.554 20 30 BHEDRN CC[C@H](C)NN=C(C)[C@@H](C)c1ccccc1 ZINC000790182117 585959740 /nfs/dbraw/zinc/95/97/40/585959740.db2.gz BLLKRCARANHTBG-NWDGAFQWSA-N 0 0 218.344 3.554 20 30 BHEDRN CC[C@H](C)NN=C(C)[C@H](C)c1ccccc1 ZINC000790182119 585959789 /nfs/dbraw/zinc/95/97/89/585959789.db2.gz BLLKRCARANHTBG-RYUDHWBXSA-N 0 0 218.344 3.554 20 30 BHEDRN CC[C@@H](C)NN=C(C)[C@@H](C)c1ccccc1 ZINC000790182121 585959625 /nfs/dbraw/zinc/95/96/25/585959625.db2.gz BLLKRCARANHTBG-VXGBXAGGSA-N 0 0 218.344 3.554 20 30 BHEDRN CC[C@H](C)NN=Cc1cc2ccccc2s1 ZINC000790182320 585257972 /nfs/dbraw/zinc/25/79/72/585257972.db2.gz IXILAOOMMMCNOS-JTQLQIEISA-N 0 0 232.352 3.623 20 30 BHEDRN CC[C@@H](C)NN=Cc1cc2ccccc2s1 ZINC000790182324 585257890 /nfs/dbraw/zinc/25/78/90/585257890.db2.gz IXILAOOMMMCNOS-SNVBAGLBSA-N 0 0 232.352 3.623 20 30 BHEDRN CC[C@@H](C)NN=Cc1c(C)cc(Cl)cc1C ZINC000790182449 585959762 /nfs/dbraw/zinc/95/97/62/585959762.db2.gz CXLUUBNIGUADAZ-LLVKDONJSA-N 0 0 238.762 3.679 20 30 BHEDRN CC[C@H](C)NN=Cc1c(C)cc(Cl)cc1C ZINC000790182467 585959695 /nfs/dbraw/zinc/95/96/95/585959695.db2.gz CXLUUBNIGUADAZ-NSHDSACASA-N 0 0 238.762 3.679 20 30 BHEDRN CC[C@@H](C)NN=C(C)[C@H](C)C1CCCCC1 ZINC000790182549 585270294 /nfs/dbraw/zinc/27/02/94/585270294.db2.gz KLYYTMLKZKUXDA-NEPJUHHUSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@H](C)NN=C(C)[C@@H](C)C1CCCCC1 ZINC000790182554 585270410 /nfs/dbraw/zinc/27/04/10/585270410.db2.gz KLYYTMLKZKUXDA-NWDGAFQWSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@H](C)NN=C(C)[C@H](C)C1CCCCC1 ZINC000790182562 585270434 /nfs/dbraw/zinc/27/04/34/585270434.db2.gz KLYYTMLKZKUXDA-RYUDHWBXSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@@H](C)NN=C(C)[C@@H](C)C1CCCCC1 ZINC000790182564 585270322 /nfs/dbraw/zinc/27/03/22/585270322.db2.gz KLYYTMLKZKUXDA-VXGBXAGGSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@@H](C)NN=Cc1ccc(C(C)C)cc1 ZINC000790182635 585959671 /nfs/dbraw/zinc/95/96/71/585959671.db2.gz FLGWJVPZVQINNM-GFCCVEGCSA-N 0 0 218.344 3.532 20 30 BHEDRN CC[C@H](C)NN=Cc1ccc(C(C)C)cc1 ZINC000790182636 585959613 /nfs/dbraw/zinc/95/96/13/585959613.db2.gz FLGWJVPZVQINNM-LBPRGKRZSA-N 0 0 218.344 3.532 20 30 BHEDRN CC[C@H](C)NN=C1CC(c2ccc(C)cc2)C1 ZINC000790182643 585959644 /nfs/dbraw/zinc/95/96/44/585959644.db2.gz FMSXHRGZCPPFNP-NBFOIZRFSA-N 0 0 230.355 3.617 20 30 BHEDRN CC[C@@H](C)NN=C1CC(c2ccc(C)cc2)C1 ZINC000790182646 585959735 /nfs/dbraw/zinc/95/97/35/585959735.db2.gz FMSXHRGZCPPFNP-PUODRLBUSA-N 0 0 230.355 3.617 20 30 BHEDRN CC[C@@H](C)NN=Cc1cccc(Cl)c1Cl ZINC000790182806 585959733 /nfs/dbraw/zinc/95/97/33/585959733.db2.gz LHMJQTMVNQUUIH-MRVPVSSYSA-N 0 0 245.153 3.715 20 30 BHEDRN CC[C@H](C)NN=Cc1cccc(Cl)c1Cl ZINC000790182808 585959748 /nfs/dbraw/zinc/95/97/48/585959748.db2.gz LHMJQTMVNQUUIH-QMMMGPOBSA-N 0 0 245.153 3.715 20 30 BHEDRN CC[C@@H](C)NN=C(C)c1ccc(Cl)s1 ZINC000790182863 585958411 /nfs/dbraw/zinc/95/84/11/585958411.db2.gz MSIGVGQWTUIKEF-SSDOTTSWSA-N 0 0 230.764 3.514 20 30 BHEDRN CC[C@H](C)NN=C(C)c1ccc(Cl)s1 ZINC000790182864 585958512 /nfs/dbraw/zinc/95/85/12/585958512.db2.gz MSIGVGQWTUIKEF-ZETCQYMHSA-N 0 0 230.764 3.514 20 30 BHEDRN CC[C@@H](C)NN=C(C(C)C)C1CCCCC1 ZINC000790182875 585271852 /nfs/dbraw/zinc/27/18/52/585271852.db2.gz MWXFLQORECSGRK-GFCCVEGCSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@H](C)NN=C(C(C)C)C1CCCCC1 ZINC000790182876 585271882 /nfs/dbraw/zinc/27/18/82/585271882.db2.gz MWXFLQORECSGRK-LBPRGKRZSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@H](C)NN=Cc1ccc(C(C)(C)C)s1 ZINC000790182916 585959627 /nfs/dbraw/zinc/95/96/27/585959627.db2.gz NLIFKMYEXPVJQH-JTQLQIEISA-N 0 0 238.400 3.768 20 30 BHEDRN CC[C@@H](C)NN=Cc1ccc(C(C)(C)C)s1 ZINC000790182918 585959795 /nfs/dbraw/zinc/95/97/95/585959795.db2.gz NLIFKMYEXPVJQH-SNVBAGLBSA-N 0 0 238.400 3.768 20 30 BHEDRN CC[C@H](C)NN=C(CC(C)(C)C)C1CC1 ZINC000790182927 585959711 /nfs/dbraw/zinc/95/97/11/585959711.db2.gz GYOFKQAMECTURD-JTQLQIEISA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H](C)NN=C(CC(C)(C)C)C1CC1 ZINC000790182928 585959643 /nfs/dbraw/zinc/95/96/43/585959643.db2.gz GYOFKQAMECTURD-SNVBAGLBSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H](C)NN=C1CC(c2ccccc2C)C1 ZINC000790183101 585959778 /nfs/dbraw/zinc/95/97/78/585959778.db2.gz OBAZGZXSHOLSFS-PZORYLMUSA-N 0 0 230.355 3.617 20 30 BHEDRN CC[C@H](C)NN=C1CC(c2ccccc2C)C1 ZINC000790183103 585959693 /nfs/dbraw/zinc/95/96/93/585959693.db2.gz OBAZGZXSHOLSFS-UEWDXFNNSA-N 0 0 230.355 3.617 20 30 BHEDRN CC[C@@H](C)NN=C(C)c1csc(Cl)c1 ZINC000790183154 585959786 /nfs/dbraw/zinc/95/97/86/585959786.db2.gz PHPFNAUQJOKFFG-SSDOTTSWSA-N 0 0 230.764 3.514 20 30 BHEDRN CC[C@H](C)NN=C(C)c1csc(Cl)c1 ZINC000790183158 585959756 /nfs/dbraw/zinc/95/97/56/585959756.db2.gz PHPFNAUQJOKFFG-ZETCQYMHSA-N 0 0 230.764 3.514 20 30 BHEDRN CC[C@H](C)NN=C1C[C@H](c2ccccc2)[C@@H]1C ZINC000790183244 585959750 /nfs/dbraw/zinc/95/97/50/585959750.db2.gz KFXIKZPNABMVPB-OBJOEFQTSA-N 0 0 230.355 3.554 20 30 BHEDRN CC[C@H](C)NN=C1C[C@@H](c2ccccc2)[C@H]1C ZINC000790183245 585959611 /nfs/dbraw/zinc/95/96/11/585959611.db2.gz KFXIKZPNABMVPB-OUCADQQQSA-N 0 0 230.355 3.554 20 30 BHEDRN CC[C@H](C)NN=C1C[C@H](c2ccccc2)[C@H]1C ZINC000790183247 585959752 /nfs/dbraw/zinc/95/97/52/585959752.db2.gz KFXIKZPNABMVPB-SCRDCRAPSA-N 0 0 230.355 3.554 20 30 BHEDRN CC[C@H](C)NN=C1C[C@@H](c2ccccc2)[C@@H]1C ZINC000790183248 585279175 /nfs/dbraw/zinc/27/91/75/585279175.db2.gz KFXIKZPNABMVPB-SGMGOOAPSA-N 0 0 230.355 3.554 20 30 BHEDRN CC[C@@H](C)NN=C(C)c1ccc(F)cc1Cl ZINC000790183455 585284282 /nfs/dbraw/zinc/28/42/82/585284282.db2.gz SDXVVROSVTYGPC-MRVPVSSYSA-N 0 0 242.725 3.591 20 30 BHEDRN CC[C@H](C)NN=C(C)c1ccc(F)cc1Cl ZINC000790183463 585284150 /nfs/dbraw/zinc/28/41/50/585284150.db2.gz SDXVVROSVTYGPC-QMMMGPOBSA-N 0 0 242.725 3.591 20 30 BHEDRN CC[C@@H](C)NN=Cc1cc(Cl)ccc1Cl ZINC000790183483 585284169 /nfs/dbraw/zinc/28/41/69/585284169.db2.gz SNTKRANIYNWFJD-MRVPVSSYSA-N 0 0 245.153 3.715 20 30 BHEDRN CC[C@H](C)NN=Cc1cc(Cl)ccc1Cl ZINC000790183484 585284105 /nfs/dbraw/zinc/28/41/05/585284105.db2.gz SNTKRANIYNWFJD-QMMMGPOBSA-N 0 0 245.153 3.715 20 30 BHEDRN CCc1oc2ccccc2c1C=NN[C@H](C)CC ZINC000790183614 585960031 /nfs/dbraw/zinc/96/00/31/585960031.db2.gz NZBHFMHYEXOJMS-LLVKDONJSA-N 0 0 244.338 3.717 20 30 BHEDRN CCc1oc2ccccc2c1C=NN[C@@H](C)CC ZINC000790183616 585959980 /nfs/dbraw/zinc/95/99/80/585959980.db2.gz NZBHFMHYEXOJMS-NSHDSACASA-N 0 0 244.338 3.717 20 30 BHEDRN CC[C@H](C)NN=C(C)c1cc2ccccc2o1 ZINC000790183651 585959905 /nfs/dbraw/zinc/95/99/05/585959905.db2.gz UMVVAGXUHGKOBH-JTQLQIEISA-N 0 0 230.311 3.545 20 30 BHEDRN CC[C@@H](C)NN=C(C)c1cc2ccccc2o1 ZINC000790183652 585959902 /nfs/dbraw/zinc/95/99/02/585959902.db2.gz UMVVAGXUHGKOBH-SNVBAGLBSA-N 0 0 230.311 3.545 20 30 BHEDRN CC[C@H](C)NN=C1C[C@H](c2ccccc2)C1(C)C ZINC000790183685 585960035 /nfs/dbraw/zinc/96/00/35/585960035.db2.gz UVQABODNFNVPOH-GXTWGEPZSA-N 0 0 244.382 3.944 20 30 BHEDRN CC[C@H](C)NN=C1C[C@@H](c2ccccc2)C1(C)C ZINC000790183687 585959919 /nfs/dbraw/zinc/95/99/19/585959919.db2.gz UVQABODNFNVPOH-JSGCOSHPSA-N 0 0 244.382 3.944 20 30 BHEDRN CC[C@@H](C)NN=C1C[C@@H](c2ccccc2)C1(C)C ZINC000790183688 585959930 /nfs/dbraw/zinc/95/99/30/585959930.db2.gz UVQABODNFNVPOH-OCCSQVGLSA-N 0 0 244.382 3.944 20 30 BHEDRN CC[C@@H](C)NN=C1C[C@H](c2ccccc2)C1(C)C ZINC000790183689 585959889 /nfs/dbraw/zinc/95/98/89/585959889.db2.gz UVQABODNFNVPOH-TZMCWYRMSA-N 0 0 244.382 3.944 20 30 BHEDRN CC[C@H](C)NN=C[C@@H](C)CCc1ccccc1 ZINC000790183965 585959946 /nfs/dbraw/zinc/95/99/46/585959946.db2.gz PYQQTYJZQFNZQM-KBPBESRZSA-N 0 0 232.371 3.629 20 30 BHEDRN CC[C@H](C)NN=C[C@H](C)CCc1ccccc1 ZINC000790183967 585960043 /nfs/dbraw/zinc/96/00/43/585960043.db2.gz PYQQTYJZQFNZQM-KGLIPLIRSA-N 0 0 232.371 3.629 20 30 BHEDRN CC[C@@H](C)NN=C[C@@H](C)CCc1ccccc1 ZINC000790183968 585960026 /nfs/dbraw/zinc/96/00/26/585960026.db2.gz PYQQTYJZQFNZQM-UONOGXRCSA-N 0 0 232.371 3.629 20 30 BHEDRN CC[C@@H](C)NN=C[C@H](C)CCc1ccccc1 ZINC000790183969 585959920 /nfs/dbraw/zinc/95/99/20/585959920.db2.gz PYQQTYJZQFNZQM-ZIAGYGMSSA-N 0 0 232.371 3.629 20 30 BHEDRN CCc1cccc(Cl)c1C=NN[C@@H](C)CC ZINC000790184206 585960017 /nfs/dbraw/zinc/96/00/17/585960017.db2.gz ZNLCHIGBNNNHDS-JTQLQIEISA-N 0 0 238.762 3.624 20 30 BHEDRN CCc1cccc(Cl)c1C=NN[C@H](C)CC ZINC000790184208 585960039 /nfs/dbraw/zinc/96/00/39/585960039.db2.gz ZNLCHIGBNNNHDS-SNVBAGLBSA-N 0 0 238.762 3.624 20 30 BHEDRN CC[C@@H](C)NN=C1CCC(C(C)C)CC1 ZINC000790184471 585298132 /nfs/dbraw/zinc/29/81/32/585298132.db2.gz VYUOMIRASWDEGQ-JHJMLUEUSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)NN=C1CCC(C(C)C)CC1 ZINC000790184472 585298089 /nfs/dbraw/zinc/29/80/89/585298089.db2.gz VYUOMIRASWDEGQ-PXYINDEMSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H](C)NN=Cc1ccc2ccccc2c1 ZINC000790184514 585959927 /nfs/dbraw/zinc/95/99/27/585959927.db2.gz XBHXSYMLMMKUMI-GFCCVEGCSA-N 0 0 226.323 3.562 20 30 BHEDRN CC[C@H](C)NN=Cc1ccc2ccccc2c1 ZINC000790184515 585959887 /nfs/dbraw/zinc/95/98/87/585959887.db2.gz XBHXSYMLMMKUMI-LBPRGKRZSA-N 0 0 226.323 3.562 20 30 BHEDRN Cc1cccnc1N=NC1CC[C@H](C)[C@H](C)C1 ZINC000790185194 585301761 /nfs/dbraw/zinc/30/17/61/585301761.db2.gz DKUHEJORKHUCMS-CMPLNLGQSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC1CC[C@H](C)[C@@H](C)C1 ZINC000790185200 585301548 /nfs/dbraw/zinc/30/15/48/585301548.db2.gz DKUHEJORKHUCMS-JQWIXIFHSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC1CC[C@@H](C)[C@@H](C)C1 ZINC000790185204 585301763 /nfs/dbraw/zinc/30/17/63/585301763.db2.gz DKUHEJORKHUCMS-PWSUYJOCSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC1CC[C@@H](C)[C@H](C)C1 ZINC000790185205 585301637 /nfs/dbraw/zinc/30/16/37/585301637.db2.gz DKUHEJORKHUCMS-ZYHUDNBSSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC[C@H]1CC(C)=C[C@@H](C)C1 ZINC000790185234 585960152 /nfs/dbraw/zinc/96/01/52/585960152.db2.gz DYTVOQWFARGQGU-BXUZGUMPSA-N 0 0 243.354 3.780 20 30 BHEDRN Cc1cccnc1N=NC[C@@H]1CC(C)=C[C@H](C)C1 ZINC000790185235 585301528 /nfs/dbraw/zinc/30/15/28/585301528.db2.gz DYTVOQWFARGQGU-FZMZJTMJSA-N 0 0 243.354 3.780 20 30 BHEDRN Cc1cccnc1N=NC[C@@H]1CC(C)=C[C@@H](C)C1 ZINC000790185236 585301610 /nfs/dbraw/zinc/30/16/10/585301610.db2.gz DYTVOQWFARGQGU-RISCZKNCSA-N 0 0 243.354 3.780 20 30 BHEDRN Cc1cccnc1N=NC[C@H]1CC(C)=C[C@H](C)C1 ZINC000790185237 585301551 /nfs/dbraw/zinc/30/15/51/585301551.db2.gz DYTVOQWFARGQGU-SMDDNHRTSA-N 0 0 243.354 3.780 20 30 BHEDRN Cc1cccnc1N=NC1CCCCC1(C)C ZINC000790185601 585960126 /nfs/dbraw/zinc/96/01/26/585960126.db2.gz HFLVVPYQMFESBV-UHFFFAOYSA-N 0 0 231.343 3.758 20 30 BHEDRN Cc1ccsc1C(C)N=Nc1ncccc1C ZINC000790185603 585960166 /nfs/dbraw/zinc/96/01/66/585960166.db2.gz HMZFSPZICSMGFQ-UHFFFAOYSA-N 0 0 245.351 3.596 20 30 BHEDRN Cc1cccnc1N=NC[C@@H](C)c1ccccc1 ZINC000790185611 585960209 /nfs/dbraw/zinc/96/02/09/585960209.db2.gz HSMVKBONDIKYCP-CYBMUJFWSA-N 0 0 239.322 3.591 20 30 BHEDRN Cc1cccnc1N=NC[C@H](C)c1ccccc1 ZINC000790185613 585960211 /nfs/dbraw/zinc/96/02/11/585960211.db2.gz HSMVKBONDIKYCP-ZDUSSCGKSA-N 0 0 239.322 3.591 20 30 BHEDRN Cc1cccnc1N=NC[C@@H]1CCCC[C@@H]1C ZINC000790185630 585960074 /nfs/dbraw/zinc/96/00/74/585960074.db2.gz IFWIEXHGOFTEQA-AAEUAGOBSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC[C@H]1CCCC[C@H]1C ZINC000790185632 585960301 /nfs/dbraw/zinc/96/03/01/585960301.db2.gz IFWIEXHGOFTEQA-DGCLKSJQSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC[C@H]1CCCC[C@@H]1C ZINC000790185633 585960153 /nfs/dbraw/zinc/96/01/53/585960153.db2.gz IFWIEXHGOFTEQA-WCQYABFASA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC[C@@H]1CCCC[C@H]1C ZINC000790185635 585960128 /nfs/dbraw/zinc/96/01/28/585960128.db2.gz IFWIEXHGOFTEQA-YPMHNXCESA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC1C[C@H](C)C[C@@H](C)C1 ZINC000790185701 585960269 /nfs/dbraw/zinc/96/02/69/585960269.db2.gz KYPFPNXMPBXJTO-GHMZBOCLSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC1C[C@H](C)C[C@H](C)C1 ZINC000790185702 585960164 /nfs/dbraw/zinc/96/01/64/585960164.db2.gz KYPFPNXMPBXJTO-PHIMTYICSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC1C[C@@H](C)C[C@H](C)C1 ZINC000790185703 585960265 /nfs/dbraw/zinc/96/02/65/585960265.db2.gz KYPFPNXMPBXJTO-QWRGUYRKSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC1CCC[C@@H](C2CC2)C1 ZINC000790185937 585960106 /nfs/dbraw/zinc/96/01/06/585960106.db2.gz LKSVGCDZKSHKFB-CYBMUJFWSA-N 0 0 243.354 3.758 20 30 BHEDRN Cc1cccnc1N=NC1CCC[C@H](C2CC2)C1 ZINC000790185939 585960084 /nfs/dbraw/zinc/96/00/84/585960084.db2.gz LKSVGCDZKSHKFB-ZDUSSCGKSA-N 0 0 243.354 3.758 20 30 BHEDRN CC[C@@H](C)NN=C1CCCC[C@H]1C(C)C ZINC000790186065 585314880 /nfs/dbraw/zinc/31/48/80/585314880.db2.gz AMDBFIKZHIAHBO-NEPJUHHUSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)NN=C1CCCC[C@@H]1C(C)C ZINC000790186067 585314821 /nfs/dbraw/zinc/31/48/21/585314821.db2.gz AMDBFIKZHIAHBO-NWDGAFQWSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)NN=C1CCCC[C@H]1C(C)C ZINC000790186069 585314964 /nfs/dbraw/zinc/31/49/64/585314964.db2.gz AMDBFIKZHIAHBO-RYUDHWBXSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H](C)NN=C1CCCC[C@@H]1C(C)C ZINC000790186074 585315023 /nfs/dbraw/zinc/31/50/23/585315023.db2.gz AMDBFIKZHIAHBO-VXGBXAGGSA-N 0 0 210.365 3.577 20 30 BHEDRN Cc1cccnc1N=NC(C)CCC(F)(F)F ZINC000790186132 585960247 /nfs/dbraw/zinc/96/02/47/585960247.db2.gz NJOZBFQKJVTLMG-UHFFFAOYSA-N 0 0 245.248 3.520 20 30 BHEDRN CCC(N=Nc1ncccc1C)c1ccccc1 ZINC000790186513 585960097 /nfs/dbraw/zinc/96/00/97/585960097.db2.gz PXPVTDCXTWEEGC-UHFFFAOYSA-N 0 0 239.322 3.616 20 30 BHEDRN CCCCC(CC)N=Nc1ncccc1C ZINC000790186725 585960263 /nfs/dbraw/zinc/96/02/63/585960263.db2.gz QJUJVZMEPYOCEG-UHFFFAOYSA-N 0 0 219.332 3.758 20 30 BHEDRN CC[C@@H](C)NN=C1CCC[C@@H]1CCC(C)C ZINC000790186856 585960242 /nfs/dbraw/zinc/96/02/42/585960242.db2.gz CEVOQBZARNMAMQ-CHWSQXEVSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@@H](C)NN=C1CCC[C@H]1CCC(C)C ZINC000790186857 585960217 /nfs/dbraw/zinc/96/02/17/585960217.db2.gz CEVOQBZARNMAMQ-OLZOCXBDSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@H](C)NN=C1CCC[C@@H]1CCC(C)C ZINC000790186858 585960049 /nfs/dbraw/zinc/96/00/49/585960049.db2.gz CEVOQBZARNMAMQ-QWHCGFSZSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@H](C)NN=C1CCC[C@H]1CCC(C)C ZINC000790186859 585960103 /nfs/dbraw/zinc/96/01/03/585960103.db2.gz CEVOQBZARNMAMQ-STQMWFEESA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@H](C)NN=Cc1csc2ccccc12 ZINC000790186903 585319911 /nfs/dbraw/zinc/31/99/11/585319911.db2.gz CSOCXJBIVYMRGX-JTQLQIEISA-N 0 0 232.352 3.623 20 30 BHEDRN CC[C@@H](C)NN=Cc1csc2ccccc12 ZINC000790186904 585320037 /nfs/dbraw/zinc/32/00/37/585320037.db2.gz CSOCXJBIVYMRGX-SNVBAGLBSA-N 0 0 232.352 3.623 20 30 BHEDRN CC[C@H](C)NN=C1CCC[C@@H]1Cc1ccccc1 ZINC000790186952 585322540 /nfs/dbraw/zinc/32/25/40/585322540.db2.gz CXZZAZYXDXBXTH-DZGCQCFKSA-N 0 0 244.382 3.773 20 30 BHEDRN CC[C@@H](C)NN=C1CCC[C@H]1Cc1ccccc1 ZINC000790186954 585322670 /nfs/dbraw/zinc/32/26/70/585322670.db2.gz CXZZAZYXDXBXTH-HIFRSBDPSA-N 0 0 244.382 3.773 20 30 BHEDRN CC[C@@H](C)NN=C1CCC[C@@H]1Cc1ccccc1 ZINC000790186956 585322697 /nfs/dbraw/zinc/32/26/97/585322697.db2.gz CXZZAZYXDXBXTH-UKRRQHHQSA-N 0 0 244.382 3.773 20 30 BHEDRN CC[C@H](C)NN=C1CCC[C@H]1Cc1ccccc1 ZINC000790186958 585322604 /nfs/dbraw/zinc/32/26/04/585322604.db2.gz CXZZAZYXDXBXTH-ZFWWWQNUSA-N 0 0 244.382 3.773 20 30 BHEDRN CC[C@@H](C)NN=Cc1ccc(Cl)cc1Cl ZINC000790186967 585322747 /nfs/dbraw/zinc/32/27/47/585322747.db2.gz DBPTZIFKLLYRIX-MRVPVSSYSA-N 0 0 245.153 3.715 20 30 BHEDRN CC[C@H](C)NN=Cc1ccc(Cl)cc1Cl ZINC000790186968 585322620 /nfs/dbraw/zinc/32/26/20/585322620.db2.gz DBPTZIFKLLYRIX-QMMMGPOBSA-N 0 0 245.153 3.715 20 30 BHEDRN CC[C@@H](C)NN=CC1CCC(C)(C)CC1 ZINC000790187073 585960202 /nfs/dbraw/zinc/96/02/02/585960202.db2.gz DHBXVFYKPVNGPU-LLVKDONJSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)NN=CC1CCC(C)(C)CC1 ZINC000790187077 585960290 /nfs/dbraw/zinc/96/02/90/585960290.db2.gz DHBXVFYKPVNGPU-NSHDSACASA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H](C)NN=Cc1c[nH]c2cc(Cl)ccc12 ZINC000790187169 585322627 /nfs/dbraw/zinc/32/26/27/585322627.db2.gz DRSANZFXGAQXMR-SECBINFHSA-N 0 0 249.745 3.543 20 30 BHEDRN CC[C@H](C)NN=Cc1c[nH]c2cc(Cl)ccc12 ZINC000790187179 585322656 /nfs/dbraw/zinc/32/26/56/585322656.db2.gz DRSANZFXGAQXMR-VIFPVBQESA-N 0 0 249.745 3.543 20 30 BHEDRN Cc1cccnc1N=NC[C@H]1CCC[C@H](C)C1 ZINC000790187231 585960212 /nfs/dbraw/zinc/96/02/12/585960212.db2.gz UCXROMSBNLPSDY-AAEUAGOBSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC[C@@H]1CCC[C@@H](C)C1 ZINC000790187235 585960058 /nfs/dbraw/zinc/96/00/58/585960058.db2.gz UCXROMSBNLPSDY-DGCLKSJQSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC[C@@H]1CCC[C@H](C)C1 ZINC000790187239 585960145 /nfs/dbraw/zinc/96/01/45/585960145.db2.gz UCXROMSBNLPSDY-WCQYABFASA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC[C@H]1CCC[C@@H](C)C1 ZINC000790187243 585322606 /nfs/dbraw/zinc/32/26/06/585322606.db2.gz UCXROMSBNLPSDY-YPMHNXCESA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC(C)C1CCCCC1 ZINC000790187421 585960437 /nfs/dbraw/zinc/96/04/37/585960437.db2.gz VHKVHEYKHILIQR-UHFFFAOYSA-N 0 0 231.343 3.758 20 30 BHEDRN CC[C@@H](C)NN=C1CCC(C(C)(C)C)CC1 ZINC000790187490 585960335 /nfs/dbraw/zinc/96/03/35/585960335.db2.gz BRDAQOWOAJIUIV-JHJMLUEUSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@H](C)NN=C1CCC(C(C)(C)C)CC1 ZINC000790187491 585960479 /nfs/dbraw/zinc/96/04/79/585960479.db2.gz BRDAQOWOAJIUIV-PXYINDEMSA-N 0 0 224.392 3.967 20 30 BHEDRN CCCCOc1ccccc1C=NN[C@H](C)CC ZINC000790187496 585960359 /nfs/dbraw/zinc/96/03/59/585960359.db2.gz BUTNHKLIFBHHKQ-CYBMUJFWSA-N 0 0 248.370 3.588 20 30 BHEDRN CCCCOc1ccccc1C=NN[C@@H](C)CC ZINC000790187497 585960508 /nfs/dbraw/zinc/96/05/08/585960508.db2.gz BUTNHKLIFBHHKQ-ZDUSSCGKSA-N 0 0 248.370 3.588 20 30 BHEDRN C=CCCC(N=Nc1ncccc1C)C1CC1 ZINC000790187766 585960463 /nfs/dbraw/zinc/96/04/63/585960463.db2.gz ZTGWBNARFVTSKY-UHFFFAOYSA-N 0 0 229.327 3.534 20 30 BHEDRN CC[C@@H](C)NN=C(C)CCc1cccc(C)c1 ZINC000790188074 585960505 /nfs/dbraw/zinc/96/05/05/585960505.db2.gz DIQAAKVOQBXJPZ-CYBMUJFWSA-N 0 0 232.371 3.692 20 30 BHEDRN CC[C@H](C)NN=C(C)CCc1cccc(C)c1 ZINC000790188076 585960397 /nfs/dbraw/zinc/96/03/97/585960397.db2.gz DIQAAKVOQBXJPZ-ZDUSSCGKSA-N 0 0 232.371 3.692 20 30 BHEDRN CC[C@@H](C)NN=C(C)[C@H](C)c1ccc(OC)cc1 ZINC000790188290 585960481 /nfs/dbraw/zinc/96/04/81/585960481.db2.gz ILFIWCAVSBQWDV-NEPJUHHUSA-N 0 0 248.370 3.563 20 30 BHEDRN CC[C@H](C)NN=C(C)[C@@H](C)c1ccc(OC)cc1 ZINC000790188294 585960452 /nfs/dbraw/zinc/96/04/52/585960452.db2.gz ILFIWCAVSBQWDV-NWDGAFQWSA-N 0 0 248.370 3.563 20 30 BHEDRN CC[C@H](C)NN=C(C)[C@H](C)c1ccc(OC)cc1 ZINC000790188295 585960419 /nfs/dbraw/zinc/96/04/19/585960419.db2.gz ILFIWCAVSBQWDV-RYUDHWBXSA-N 0 0 248.370 3.563 20 30 BHEDRN CC[C@@H](C)NN=C(C)[C@@H](C)c1ccc(OC)cc1 ZINC000790188297 585960473 /nfs/dbraw/zinc/96/04/73/585960473.db2.gz ILFIWCAVSBQWDV-VXGBXAGGSA-N 0 0 248.370 3.563 20 30 BHEDRN Cc1cccc(C(C)N=Nc2ncccc2C)c1 ZINC000790188359 585960388 /nfs/dbraw/zinc/96/03/88/585960388.db2.gz XWVYLUDWSHOFJG-UHFFFAOYSA-N 0 0 239.322 3.535 20 30 BHEDRN Cc1cccnc1N=NC[C@@H]1C(C)=CCC[C@@H]1C ZINC000790188426 585960321 /nfs/dbraw/zinc/96/03/21/585960321.db2.gz YUZLRJLXQDZKAC-GXTWGEPZSA-N 0 0 243.354 3.780 20 30 BHEDRN Cc1cccnc1N=NC[C@H]1C(C)=CCC[C@@H]1C ZINC000790188427 585960483 /nfs/dbraw/zinc/96/04/83/585960483.db2.gz YUZLRJLXQDZKAC-JSGCOSHPSA-N 0 0 243.354 3.780 20 30 BHEDRN Cc1cccnc1N=NC[C@H]1C(C)=CCC[C@H]1C ZINC000790188428 585960422 /nfs/dbraw/zinc/96/04/22/585960422.db2.gz YUZLRJLXQDZKAC-OCCSQVGLSA-N 0 0 243.354 3.780 20 30 BHEDRN Cc1cccnc1N=NC[C@@H]1C(C)=CCC[C@H]1C ZINC000790188429 585960322 /nfs/dbraw/zinc/96/03/22/585960322.db2.gz YUZLRJLXQDZKAC-TZMCWYRMSA-N 0 0 243.354 3.780 20 30 BHEDRN CCC1CCC(N=Nc2ncccc2C)CC1 ZINC000790188489 585960325 /nfs/dbraw/zinc/96/03/25/585960325.db2.gz ZRWCBYHKGXKYIG-UHFFFAOYSA-N 0 0 231.343 3.758 20 30 BHEDRN CC[C@@H](C)NN=C(C)C1CCCCCC1 ZINC000790188593 585327179 /nfs/dbraw/zinc/32/71/79/585327179.db2.gz KRYCMROVLJKPQB-LLVKDONJSA-N 0 0 210.365 3.721 20 30 BHEDRN CC[C@H](C)NN=C(C)C1CCCCCC1 ZINC000790188594 585327024 /nfs/dbraw/zinc/32/70/24/585327024.db2.gz KRYCMROVLJKPQB-NSHDSACASA-N 0 0 210.365 3.721 20 30 BHEDRN CC[C@@H](C)NN=Cc1ccc(Cl)c(Cl)c1 ZINC000790188790 585960314 /nfs/dbraw/zinc/96/03/14/585960314.db2.gz LGUCZJUMSUIZMI-MRVPVSSYSA-N 0 0 245.153 3.715 20 30 BHEDRN CC[C@H](C)NN=Cc1ccc(Cl)c(Cl)c1 ZINC000790188794 585960421 /nfs/dbraw/zinc/96/04/21/585960421.db2.gz LGUCZJUMSUIZMI-QMMMGPOBSA-N 0 0 245.153 3.715 20 30 BHEDRN CC[C@H](C)NN=C(C)c1coc2ccccc12 ZINC000790188928 585960324 /nfs/dbraw/zinc/96/03/24/585960324.db2.gz IYYIUNDGNPZKFM-JTQLQIEISA-N 0 0 230.311 3.545 20 30 BHEDRN CC[C@@H](C)NN=C(C)c1coc2ccccc12 ZINC000790188931 585960401 /nfs/dbraw/zinc/96/04/01/585960401.db2.gz IYYIUNDGNPZKFM-SNVBAGLBSA-N 0 0 230.311 3.545 20 30 BHEDRN CC[C@H](C)NN=C(C)c1oc2ccccc2c1C ZINC000790188949 585960466 /nfs/dbraw/zinc/96/04/66/585960466.db2.gz LYWTXPBCYSDUAR-JTQLQIEISA-N 0 0 244.338 3.853 20 30 BHEDRN CC[C@@H](C)NN=C(C)c1oc2ccccc2c1C ZINC000790188950 585960516 /nfs/dbraw/zinc/96/05/16/585960516.db2.gz LYWTXPBCYSDUAR-SNVBAGLBSA-N 0 0 244.338 3.853 20 30 BHEDRN CC[C@@H](C)NN=Cc1cccc2ccccc12 ZINC000790189406 585331043 /nfs/dbraw/zinc/33/10/43/585331043.db2.gz NSMBMYVXKJQSJB-GFCCVEGCSA-N 0 0 226.323 3.562 20 30 BHEDRN CC[C@H](C)NN=Cc1cccc2ccccc12 ZINC000790189421 585331021 /nfs/dbraw/zinc/33/10/21/585331021.db2.gz NSMBMYVXKJQSJB-LBPRGKRZSA-N 0 0 226.323 3.562 20 30 BHEDRN CC[C@@H](C)NN=C(C)C1CCC(F)(F)CC1 ZINC000790189470 585960713 /nfs/dbraw/zinc/96/07/13/585960713.db2.gz NWJGACQNXAMLOH-SECBINFHSA-N 0 0 232.318 3.576 20 30 BHEDRN CC[C@H](C)NN=C(C)C1CCC(F)(F)CC1 ZINC000790189475 585960682 /nfs/dbraw/zinc/96/06/82/585960682.db2.gz NWJGACQNXAMLOH-VIFPVBQESA-N 0 0 232.318 3.576 20 30 BHEDRN CCCC[C@H]1CCCC1=NN[C@H](C)CC ZINC000790189561 585960716 /nfs/dbraw/zinc/96/07/16/585960716.db2.gz PAJFVJKGKFSUMA-NEPJUHHUSA-N 0 0 210.365 3.721 20 30 BHEDRN CCCC[C@@H]1CCCC1=NN[C@@H](C)CC ZINC000790189562 585960675 /nfs/dbraw/zinc/96/06/75/585960675.db2.gz PAJFVJKGKFSUMA-NWDGAFQWSA-N 0 0 210.365 3.721 20 30 BHEDRN CCCC[C@H]1CCCC1=NN[C@@H](C)CC ZINC000790189565 585960681 /nfs/dbraw/zinc/96/06/81/585960681.db2.gz PAJFVJKGKFSUMA-RYUDHWBXSA-N 0 0 210.365 3.721 20 30 BHEDRN CCCC[C@@H]1CCCC1=NN[C@H](C)CC ZINC000790189566 585960623 /nfs/dbraw/zinc/96/06/23/585960623.db2.gz PAJFVJKGKFSUMA-VXGBXAGGSA-N 0 0 210.365 3.721 20 30 BHEDRN CC[C@@H](C)NN=Cc1cc2cc(C)c(C)cc2o1 ZINC000790189657 585960685 /nfs/dbraw/zinc/96/06/85/585960685.db2.gz QEHHIHYFILEXPT-GFCCVEGCSA-N 0 0 244.338 3.772 20 30 BHEDRN CC[C@H](C)NN=Cc1cc2cc(C)c(C)cc2o1 ZINC000790189767 585960744 /nfs/dbraw/zinc/96/07/44/585960744.db2.gz QEHHIHYFILEXPT-LBPRGKRZSA-N 0 0 244.338 3.772 20 30 BHEDRN CC[C@H](C)NN=C(C)C12CC3CC(CC(C3)C1)C2 ZINC000790189879 585960605 /nfs/dbraw/zinc/96/06/05/585960605.db2.gz RWJLRHDXMSSPSU-DSGUZJNWSA-N 0 0 248.414 3.967 20 30 BHEDRN CC[C@@H](C)NN=C(C)C12CC3CC(CC(C3)C1)C2 ZINC000790189880 585960552 /nfs/dbraw/zinc/96/05/52/585960552.db2.gz RWJLRHDXMSSPSU-ORGDTZJYSA-N 0 0 248.414 3.967 20 30 BHEDRN CC[C@@H](C)NN=C[C@H]1CCCC(C)(C)C1 ZINC000790189891 585960566 /nfs/dbraw/zinc/96/05/66/585960566.db2.gz RXLYYXXNVHZCFS-NEPJUHHUSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)NN=C[C@@H]1CCCC(C)(C)C1 ZINC000790189892 585960644 /nfs/dbraw/zinc/96/06/44/585960644.db2.gz RXLYYXXNVHZCFS-NWDGAFQWSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)NN=C[C@H]1CCCC(C)(C)C1 ZINC000790189893 585960780 /nfs/dbraw/zinc/96/07/80/585960780.db2.gz RXLYYXXNVHZCFS-RYUDHWBXSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H](C)NN=C[C@@H]1CCCC(C)(C)C1 ZINC000790189894 585960708 /nfs/dbraw/zinc/96/07/08/585960708.db2.gz RXLYYXXNVHZCFS-VXGBXAGGSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H](C)NN=C(C)c1ccc(OC(C)C)cc1 ZINC000790189949 585960571 /nfs/dbraw/zinc/96/05/71/585960571.db2.gz STOBKUSVQKHYSK-GFCCVEGCSA-N 0 0 248.370 3.586 20 30 BHEDRN CC[C@H](C)NN=C(C)c1ccc(OC(C)C)cc1 ZINC000790189950 585960643 /nfs/dbraw/zinc/96/06/43/585960643.db2.gz STOBKUSVQKHYSK-LBPRGKRZSA-N 0 0 248.370 3.586 20 30 BHEDRN Cc1cccnc1N=NC1CCCC(C)(C)C1 ZINC000790189955 585960598 /nfs/dbraw/zinc/96/05/98/585960598.db2.gz FJVFXSKQDFIEFY-UHFFFAOYSA-N 0 0 231.343 3.758 20 30 BHEDRN CC[C@@H](C)NN=C[C@@H]1CCC[C@@H](CC)C1 ZINC000790190053 585960563 /nfs/dbraw/zinc/96/05/63/585960563.db2.gz MXXIPDGMZAEXMQ-JHJVBQTASA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H](C)N=NC[C@H]1CCC[C@@H](CC)C1 ZINC000790190055 585960637 /nfs/dbraw/zinc/96/06/37/585960637.db2.gz MXXIPDGMZAEXMQ-UPJWGTAASA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)N=NC[C@H]1CCC[C@@H](CC)C1 ZINC000790190056 585959567 /nfs/dbraw/zinc/95/95/67/585959567.db2.gz MXXIPDGMZAEXMQ-XQQFMLRXSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)N=NC[C@@H]1CCC[C@@H](CC)C1 ZINC000790190058 585959568 /nfs/dbraw/zinc/95/95/68/585959568.db2.gz MXXIPDGMZAEXMQ-YNEHKIRRSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H](C)NN=C(C)CCC1CCCC1 ZINC000790190064 585960774 /nfs/dbraw/zinc/96/07/74/585960774.db2.gz MZGMKZJDWVURKK-LLVKDONJSA-N 0 0 210.365 3.721 20 30 BHEDRN CC[C@H](C)NN=C(C)CCC1CCCC1 ZINC000790190066 585960548 /nfs/dbraw/zinc/96/05/48/585960548.db2.gz MZGMKZJDWVURKK-NSHDSACASA-N 0 0 210.365 3.721 20 30 BHEDRN Cc1cccnc1N=NC1CCCCCCC1 ZINC000790190234 585960673 /nfs/dbraw/zinc/96/06/73/585960673.db2.gz HNZIHBUFRZNBQW-UHFFFAOYSA-N 0 0 231.343 3.902 20 30 BHEDRN Cc1cccnc1N=NCC1CCCCCC1 ZINC000790190669 585960648 /nfs/dbraw/zinc/96/06/48/585960648.db2.gz KMTBLTNXXQRDEF-UHFFFAOYSA-N 0 0 231.343 3.758 20 30 BHEDRN CCCCCCCN=Nc1ncccc1C ZINC000790190697 585960674 /nfs/dbraw/zinc/96/06/74/585960674.db2.gz KTDKAHNBMBVHQP-UHFFFAOYSA-N 0 0 219.332 3.758 20 30 BHEDRN CC[C@@H](C)NN=Cc1c(Cl)cccc1Cl ZINC000790190872 585960678 /nfs/dbraw/zinc/96/06/78/585960678.db2.gz RKVCJTYJDZQPJA-MRVPVSSYSA-N 0 0 245.153 3.715 20 30 BHEDRN CC[C@H](C)NN=Cc1c(Cl)cccc1Cl ZINC000790190873 585960642 /nfs/dbraw/zinc/96/06/42/585960642.db2.gz RKVCJTYJDZQPJA-QMMMGPOBSA-N 0 0 245.153 3.715 20 30 BHEDRN Cc1cccnc1N=NC(C)CC1CCCC1 ZINC000790190908 585960731 /nfs/dbraw/zinc/96/07/31/585960731.db2.gz NKJOFSXBBWRBBA-UHFFFAOYSA-N 0 0 231.343 3.758 20 30 BHEDRN CC[C@H](C)NN=C1CCC(C)(CC)CC1 ZINC000790190981 585331828 /nfs/dbraw/zinc/33/18/28/585331828.db2.gz XBQNSKITLUTKTA-AMGKYWFPSA-N 0 0 210.365 3.721 20 30 BHEDRN CC[C@@H](C)NN=C1CCC(C)(CC)CC1 ZINC000790190982 585331793 /nfs/dbraw/zinc/33/17/93/585331793.db2.gz XBQNSKITLUTKTA-JTDNENJMSA-N 0 0 210.365 3.721 20 30 BHEDRN CC[C@@H](C)NN=C(C)CCc1ccccc1F ZINC000790190991 585331923 /nfs/dbraw/zinc/33/19/23/585331923.db2.gz XLYZYUMYPGIDDT-LLVKDONJSA-N 0 0 236.334 3.522 20 30 BHEDRN CC[C@H](C)NN=C(C)CCc1ccccc1F ZINC000790190992 585331754 /nfs/dbraw/zinc/33/17/54/585331754.db2.gz XLYZYUMYPGIDDT-NSHDSACASA-N 0 0 236.334 3.522 20 30 BHEDRN CC[C@@H](C)NN=C1CCC(C)(C)C[C@H]1C ZINC000790191019 585331743 /nfs/dbraw/zinc/33/17/43/585331743.db2.gz XPANBENAQHAPBI-GHMZBOCLSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)NN=C1CCC(C)(C)C[C@H]1C ZINC000790191022 585331930 /nfs/dbraw/zinc/33/19/30/585331930.db2.gz XPANBENAQHAPBI-MNOVXSKESA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)NN=C1CCC(C)(C)C[C@@H]1C ZINC000790191023 585331955 /nfs/dbraw/zinc/33/19/55/585331955.db2.gz XPANBENAQHAPBI-QWRGUYRKSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H](C)NN=C1CCC(C)(C)C[C@@H]1C ZINC000790191024 585332033 /nfs/dbraw/zinc/33/20/33/585332033.db2.gz XPANBENAQHAPBI-WDEREUQCSA-N 0 0 210.365 3.577 20 30 BHEDRN C=CCCC(CC)N=Nc1ncccc1C ZINC000790191148 585332123 /nfs/dbraw/zinc/33/21/23/585332123.db2.gz SFLVGAWWRXTGMH-UHFFFAOYSA-N 0 0 217.316 3.534 20 30 BHEDRN CC[C@@H](C)NN=Cc1cc(Cl)cc(Cl)c1 ZINC000790191207 585960883 /nfs/dbraw/zinc/96/08/83/585960883.db2.gz UWZPDHNLVKZQFS-MRVPVSSYSA-N 0 0 245.153 3.715 20 30 BHEDRN CC[C@H](C)NN=Cc1cc(Cl)cc(Cl)c1 ZINC000790191209 585960931 /nfs/dbraw/zinc/96/09/31/585960931.db2.gz UWZPDHNLVKZQFS-QMMMGPOBSA-N 0 0 245.153 3.715 20 30 BHEDRN CCC(=NN[C@H](C)CC)C1CCCCC1 ZINC000790191280 585960840 /nfs/dbraw/zinc/96/08/40/585960840.db2.gz YFAQEMYTUGSLCE-LLVKDONJSA-N 0 0 210.365 3.721 20 30 BHEDRN CCC(=NN[C@@H](C)CC)C1CCCCC1 ZINC000790191281 585960847 /nfs/dbraw/zinc/96/08/47/585960847.db2.gz YFAQEMYTUGSLCE-NSHDSACASA-N 0 0 210.365 3.721 20 30 BHEDRN Cc1cccnc1N=NC1CCC(C)(C)CC1 ZINC000790191462 585960890 /nfs/dbraw/zinc/96/08/90/585960890.db2.gz VAUMDAYBBUJMGO-UHFFFAOYSA-N 0 0 231.343 3.758 20 30 BHEDRN CC[C@H](C)NN=C1CC[C@](C)(c2ccccc2)C1 ZINC000790191733 585960961 /nfs/dbraw/zinc/96/09/61/585960961.db2.gz WQAVWDRPHOESKC-BBRMVZONSA-N 0 0 244.382 3.872 20 30 BHEDRN CC[C@@H](C)NN=C1CC[C@](C)(c2ccccc2)C1 ZINC000790191735 585960805 /nfs/dbraw/zinc/96/08/05/585960805.db2.gz WQAVWDRPHOESKC-CJNGLKHVSA-N 0 0 244.382 3.872 20 30 BHEDRN CC[C@@H](C)NN=C1CC[C@@](C)(c2ccccc2)C1 ZINC000790191737 585960877 /nfs/dbraw/zinc/96/08/77/585960877.db2.gz WQAVWDRPHOESKC-CZUORRHYSA-N 0 0 244.382 3.872 20 30 BHEDRN CC[C@H](C)NN=C1CC[C@@](C)(c2ccccc2)C1 ZINC000790191738 585960868 /nfs/dbraw/zinc/96/08/68/585960868.db2.gz WQAVWDRPHOESKC-XJKSGUPXSA-N 0 0 244.382 3.872 20 30 BHEDRN CCSc1cccc(C=NN[C@H](C)CC)c1 ZINC000790191739 585960895 /nfs/dbraw/zinc/96/08/95/585960895.db2.gz WRYGWZGQGMDHBN-LLVKDONJSA-N 0 0 236.384 3.521 20 30 BHEDRN CCSc1cccc(C=NN[C@@H](C)CC)c1 ZINC000790191741 585960991 /nfs/dbraw/zinc/96/09/91/585960991.db2.gz WRYGWZGQGMDHBN-NSHDSACASA-N 0 0 236.384 3.521 20 30 BHEDRN Cc1cccnc1N=NC1=CC(C)CC(C)(C)C1 ZINC000790191755 585961022 /nfs/dbraw/zinc/96/10/22/585961022.db2.gz XMGFSMPRVWSADH-UHFFFAOYSA-N 0 0 243.354 3.924 20 30 BHEDRN CCC(N=Nc1ncccc1C)c1cccs1 ZINC000790191776 585960804 /nfs/dbraw/zinc/96/08/04/585960804.db2.gz XWPMEGUWEHYHOE-UHFFFAOYSA-N 0 0 245.351 3.678 20 30 BHEDRN CC[C@H](C)NN=C(C)c1ccc(SC)cc1 ZINC000790191871 585961033 /nfs/dbraw/zinc/96/10/33/585961033.db2.gz YZYQJPURQJGAQU-JTQLQIEISA-N 0 0 236.384 3.521 20 30 BHEDRN CC[C@@H](C)NN=C(C)c1ccc(SC)cc1 ZINC000790191872 585960973 /nfs/dbraw/zinc/96/09/73/585960973.db2.gz YZYQJPURQJGAQU-SNVBAGLBSA-N 0 0 236.384 3.521 20 30 BHEDRN CC[C@H](C)NN=C1CC[C@@H](C)C[C@H]1CC ZINC000790191874 585960928 /nfs/dbraw/zinc/96/09/28/585960928.db2.gz ZAAHBBXQALQJEP-GRYCIOLGSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)NN=C1CC[C@H](C)C[C@H]1CC ZINC000790191875 585960823 /nfs/dbraw/zinc/96/08/23/585960823.db2.gz ZAAHBBXQALQJEP-SDDRHHMPSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)NN=C1CC[C@H](C)C[C@@H]1CC ZINC000790191876 585960988 /nfs/dbraw/zinc/96/09/88/585960988.db2.gz ZAAHBBXQALQJEP-SRVKXCTJSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)NN=C1CC[C@@H](C)C[C@@H]1CC ZINC000790191877 585960882 /nfs/dbraw/zinc/96/08/82/585960882.db2.gz ZAAHBBXQALQJEP-WOPDTQHZSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H]1CCCC(N=Nc2ncccc2C)C1 ZINC000790192720 585960949 /nfs/dbraw/zinc/96/09/49/585960949.db2.gz BUFHPVWENKCHOC-GFCCVEGCSA-N 0 0 231.343 3.758 20 30 BHEDRN CC[C@H]1CCCC(N=Nc2ncccc2C)C1 ZINC000790192721 585960833 /nfs/dbraw/zinc/96/08/33/585960833.db2.gz BUFHPVWENKCHOC-LBPRGKRZSA-N 0 0 231.343 3.758 20 30 BHEDRN CCCCCC(C)N=Nc1ncccc1C ZINC000790192816 585961036 /nfs/dbraw/zinc/96/10/36/585961036.db2.gz FJNYVQCMIPUFCE-UHFFFAOYSA-N 0 0 219.332 3.758 20 30 BHEDRN CC[C@@H]1CCCCC1N=Nc1ncccc1C ZINC000790192867 585961009 /nfs/dbraw/zinc/96/10/09/585961009.db2.gz IFCPPGAYQZOVFE-GFCCVEGCSA-N 0 0 231.343 3.758 20 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FNYIWHKYCAUQLR-HNNXBMFYSA-N 0 0 249.354 3.811 20 30 BHEDRN CC(C)CON=C[C@@H](OC(C)C)c1ccccc1 ZINC000793033897 586008775 /nfs/dbraw/zinc/00/87/75/586008775.db2.gz FNYIWHKYCAUQLR-OAHLLOKOSA-N 0 0 249.354 3.811 20 30 BHEDRN C[C@]1(C=NOC2CCCCC2)CCCS1 ZINC000793040211 586008747 /nfs/dbraw/zinc/00/87/47/586008747.db2.gz DRJXQQMCEMWHCC-GFCCVEGCSA-N 0 0 227.373 3.607 20 30 BHEDRN C[C@@]1(C=NOC2CCCCC2)CCCS1 ZINC000793040213 586008843 /nfs/dbraw/zinc/00/88/43/586008843.db2.gz DRJXQQMCEMWHCC-LBPRGKRZSA-N 0 0 227.373 3.607 20 30 BHEDRN CC(C)O[C@@H](C=NOC1CCC1)c1ccccc1 ZINC000793055281 586009258 /nfs/dbraw/zinc/00/92/58/586009258.db2.gz LBGOXGHZXCPUKA-HNNXBMFYSA-N 0 0 247.338 3.708 20 30 BHEDRN CC(C)O[C@H](C=NOC1CCC1)c1ccccc1 ZINC000793055283 586009283 /nfs/dbraw/zinc/00/92/83/586009283.db2.gz LBGOXGHZXCPUKA-OAHLLOKOSA-N 0 0 247.338 3.708 20 30 BHEDRN CC(=NNCC1(C)CCCC1)C1CCCC1 ZINC000793080543 583552308 /nfs/dbraw/zinc/55/23/08/583552308.db2.gz BSCIZCLMNWQOMJ-UHFFFAOYSA-N 0 0 222.376 3.722 20 30 BHEDRN CC[C@@H]1CCCC1=NNCC1(C)CCCC1 ZINC000793081214 586009856 /nfs/dbraw/zinc/00/98/56/586009856.db2.gz IMRWOYGHQSNQAR-GFCCVEGCSA-N 0 0 222.376 3.722 20 30 BHEDRN CC[C@H]1CCCC1=NNCC1(C)CCCC1 ZINC000793081217 586009844 /nfs/dbraw/zinc/00/98/44/586009844.db2.gz IMRWOYGHQSNQAR-LBPRGKRZSA-N 0 0 222.376 3.722 20 30 BHEDRN CC1CCC(=NNCC2(C)CCCC2)CC1 ZINC000793081352 586009807 /nfs/dbraw/zinc/00/98/07/586009807.db2.gz KBJYVFPZBJFIMX-UHFFFAOYSA-N 0 0 222.376 3.722 20 30 BHEDRN CC1(C)CCC(=NNCC2(C)CCCC2)C1 ZINC000793081359 586009969 /nfs/dbraw/zinc/00/99/69/586009969.db2.gz KFNMDRHVZWRSOM-UHFFFAOYSA-N 0 0 222.376 3.722 20 30 BHEDRN Cc1ccc(C=NNCC2(C)CCCC2)s1 ZINC000793081917 586009845 /nfs/dbraw/zinc/00/98/45/586009845.db2.gz OYSYNJWHGSIBDZ-UHFFFAOYSA-N 0 0 236.384 3.560 20 30 BHEDRN C=CCCC(CC)N=NCC1(C)CCCC1 ZINC000793081926 586009903 /nfs/dbraw/zinc/00/99/03/586009903.db2.gz PLDRCTDAANEZFD-UHFFFAOYSA-N 0 0 222.376 3.889 20 30 BHEDRN C[C@]12C[C@H]1CCCC2=NNCC1(C)CCCC1 ZINC000793082351 586009992 /nfs/dbraw/zinc/00/99/92/586009992.db2.gz WPZGGXJOGFTAIN-DOMZBBRYSA-N 0 0 234.387 3.722 20 30 BHEDRN C[C@@]12C[C@@H]1CCCC2=NNCC1(C)CCCC1 ZINC000793082354 586009794 /nfs/dbraw/zinc/00/97/94/586009794.db2.gz WPZGGXJOGFTAIN-SWLSCSKDSA-N 0 0 234.387 3.722 20 30 BHEDRN CC1(CN=NC2CCCC2(C)C)CCCC1 ZINC000793083534 586009893 /nfs/dbraw/zinc/00/98/93/586009893.db2.gz AKLPSRHRZBVBNY-UHFFFAOYSA-N 0 0 222.376 3.722 20 30 BHEDRN CCCC(CC)=NNCC1(C)CCCC1 ZINC000793083604 586010230 /nfs/dbraw/zinc/01/02/30/586010230.db2.gz BMRVFEGSFUGMHE-UHFFFAOYSA-N 0 0 210.365 3.722 20 30 BHEDRN CC1(CN=NC2CCCCCC2)CCCC1 ZINC000793083770 586010113 /nfs/dbraw/zinc/01/01/13/586010113.db2.gz GPYHMCQIJQTKEJ-UHFFFAOYSA-N 0 0 222.376 3.867 20 30 BHEDRN CC1(CNN=C2CCC23CCCC3)CCCC1 ZINC000793084052 586010202 /nfs/dbraw/zinc/01/02/02/586010202.db2.gz IFHPAIFHGRVYLW-UHFFFAOYSA-N 0 0 234.387 3.867 20 30 BHEDRN Cc1cc(F)ccc1C=NNCC1(C)CCCC1 ZINC000793084070 586010104 /nfs/dbraw/zinc/01/01/04/586010104.db2.gz IKLMMIKKMSVHMI-UHFFFAOYSA-N 0 0 248.345 3.638 20 30 BHEDRN Cc1cccc(C)c1C=NNCC1(C)CCCC1 ZINC000793084300 586010171 /nfs/dbraw/zinc/01/01/71/586010171.db2.gz KDJWYZYNXKWRHT-UHFFFAOYSA-N 0 0 244.382 3.807 20 30 BHEDRN CC1(CNN=C2CCC3(CC3)CC2)CCCC1 ZINC000793084301 586010205 /nfs/dbraw/zinc/01/02/05/586010205.db2.gz KEBRAEGSXPGAST-UHFFFAOYSA-N 0 0 234.387 3.867 20 30 BHEDRN C[C@@H]1CCCCC1N=NCC1(C)CCCC1 ZINC000793084381 586010042 /nfs/dbraw/zinc/01/00/42/586010042.db2.gz NJTBTQGKNYXOFH-GFCCVEGCSA-N 0 0 222.376 3.722 20 30 BHEDRN C[C@H]1CCCCC1N=NCC1(C)CCCC1 ZINC000793084382 586010174 /nfs/dbraw/zinc/01/01/74/586010174.db2.gz NJTBTQGKNYXOFH-LBPRGKRZSA-N 0 0 222.376 3.722 20 30 BHEDRN Cc1ccsc1C=NNCC1(C)CCCC1 ZINC000793084474 586010201 /nfs/dbraw/zinc/01/02/01/586010201.db2.gz OVZDUHMOQHRJMG-UHFFFAOYSA-N 0 0 236.384 3.560 20 30 BHEDRN CC(C)C(=NNCC1(C)CCCC1)C1CC1 ZINC000793084618 586010090 /nfs/dbraw/zinc/01/00/90/586010090.db2.gz QYLIROOGZLITCW-UHFFFAOYSA-N 0 0 222.376 3.578 20 30 BHEDRN CC(CC1CCC1)N=NCC1(C)CCCC1 ZINC000793084980 586010058 /nfs/dbraw/zinc/01/00/58/586010058.db2.gz SHJPWNAFRMKBBP-UHFFFAOYSA-N 0 0 222.376 3.722 20 30 BHEDRN Cc1ccc(F)c(C=NNCC2(C)CCCC2)c1 ZINC000793085030 586010143 /nfs/dbraw/zinc/01/01/43/586010143.db2.gz VKFMRMVWWMGLAW-UHFFFAOYSA-N 0 0 248.345 3.638 20 30 BHEDRN CC(CCc1ccco1)N=NCC1(C)CCCC1 ZINC000793085132 586010131 /nfs/dbraw/zinc/01/01/31/586010131.db2.gz ZGXHWCBHNWAKCK-UHFFFAOYSA-N 0 0 248.370 3.758 20 30 BHEDRN CC1(CNN=C2CCC[C@@H]2CCF)CCCC1 ZINC000793088914 586010162 /nfs/dbraw/zinc/01/01/62/586010162.db2.gz BALHDVIIDABYMD-GFCCVEGCSA-N 0 0 240.366 3.672 20 30 BHEDRN CC1(CN=NC2CCC[C@H]2CCF)CCCC1 ZINC000793088937 586010018 /nfs/dbraw/zinc/01/00/18/586010018.db2.gz BALHDVIIDABYMD-LBPRGKRZSA-N 0 0 240.366 3.672 20 30 BHEDRN Cc1ccc(F)cc1C=NNCC1(C)CCCC1 ZINC000793089065 586010146 /nfs/dbraw/zinc/01/01/46/586010146.db2.gz DURCVTSTBHZUCL-UHFFFAOYSA-N 0 0 248.345 3.638 20 30 BHEDRN C[C@@H]1CCCC(N=NCC2(C)CCCC2)C1 ZINC000793090337 586010151 /nfs/dbraw/zinc/01/01/51/586010151.db2.gz PLRNTKGHWOGCHD-GFCCVEGCSA-N 0 0 222.376 3.722 20 30 BHEDRN C[C@H]1CCCC(N=NCC2(C)CCCC2)C1 ZINC000793090338 586010055 /nfs/dbraw/zinc/01/00/55/586010055.db2.gz PLRNTKGHWOGCHD-LBPRGKRZSA-N 0 0 222.376 3.722 20 30 BHEDRN C=CCCC(=NNCC1(C)CCCC1)C1CC1 ZINC000793090541 586010147 /nfs/dbraw/zinc/01/01/47/586010147.db2.gz WDYOSTDLHAQFNJ-UHFFFAOYSA-N 0 0 234.387 3.889 20 30 BHEDRN CC(Cc1ccsc1)=NN[C@H](C)C(C)(C)C ZINC000793110776 586010383 /nfs/dbraw/zinc/01/03/83/586010383.db2.gz BWNDXMNRBPBMGI-LLVKDONJSA-N 0 0 238.400 3.691 20 30 BHEDRN CC(Cc1ccsc1)=NN[C@@H](C)C(C)(C)C ZINC000793110777 586010257 /nfs/dbraw/zinc/01/02/57/586010257.db2.gz BWNDXMNRBPBMGI-NSHDSACASA-N 0 0 238.400 3.691 20 30 BHEDRN CC(=NN[C@H](C)C(C)(C)C)C1CCSCC1 ZINC000793110786 586010318 /nfs/dbraw/zinc/01/03/18/586010318.db2.gz CAFRIQJHAZFWME-LLVKDONJSA-N 0 0 242.432 3.530 20 30 BHEDRN CC(=NN[C@@H](C)C(C)(C)C)C1CCSCC1 ZINC000793110787 586010358 /nfs/dbraw/zinc/01/03/58/586010358.db2.gz CAFRIQJHAZFWME-NSHDSACASA-N 0 0 242.432 3.530 20 30 BHEDRN C[C@@H](NN=Cc1cc(Cl)cs1)C(C)(C)C ZINC000793110993 586010446 /nfs/dbraw/zinc/01/04/46/586010446.db2.gz FAMBWXNHJUGIQY-MRVPVSSYSA-N 0 0 244.791 3.760 20 30 BHEDRN C[C@H](NN=Cc1cc(Cl)cs1)C(C)(C)C ZINC000793110994 586010243 /nfs/dbraw/zinc/01/02/43/586010243.db2.gz FAMBWXNHJUGIQY-QMMMGPOBSA-N 0 0 244.791 3.760 20 30 BHEDRN C[C@@H](NN=Cc1ccsc1Cl)C(C)(C)C ZINC000793111392 586010403 /nfs/dbraw/zinc/01/04/03/586010403.db2.gz GNAPGCQCQKHSRQ-MRVPVSSYSA-N 0 0 244.791 3.760 20 30 BHEDRN C[C@H](NN=Cc1ccsc1Cl)C(C)(C)C ZINC000793111394 586010184 /nfs/dbraw/zinc/01/01/84/586010184.db2.gz GNAPGCQCQKHSRQ-QMMMGPOBSA-N 0 0 244.791 3.760 20 30 BHEDRN C[C@H](NN=C1CCC(C(F)F)CC1)C(C)(C)C ZINC000793111466 586010469 /nfs/dbraw/zinc/01/04/69/586010469.db2.gz HYRMLGPRQRLOHY-RGURZIINSA-N 0 0 246.345 3.822 20 30 BHEDRN C[C@@H](N=NC1CCC(C(F)F)CC1)C(C)(C)C ZINC000793111468 586010421 /nfs/dbraw/zinc/01/04/21/586010421.db2.gz HYRMLGPRQRLOHY-YHMJZVADSA-N 0 0 246.345 3.822 20 30 BHEDRN C[C@@H](NN=CC1CCCCC1)C(C)(C)C ZINC000793111472 586010237 /nfs/dbraw/zinc/01/02/37/586010237.db2.gz HZPPRDUWSMQBPJ-LLVKDONJSA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@H](N=NCC1CCCCC1)C(C)(C)C ZINC000793111473 586010294 /nfs/dbraw/zinc/01/02/94/586010294.db2.gz HZPPRDUWSMQBPJ-NSHDSACASA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@H](NN=C1CCC[C@H]2C[C@@]12C)C(C)(C)C ZINC000793111531 586010327 /nfs/dbraw/zinc/01/03/27/586010327.db2.gz IQAPWKYBSSYOIF-COPLHBTASA-N 0 0 222.376 3.577 20 30 BHEDRN C[C@H](NN=C1CCC[C@@H]2C[C@]12C)C(C)(C)C ZINC000793111534 586010348 /nfs/dbraw/zinc/01/03/48/586010348.db2.gz IQAPWKYBSSYOIF-WDMOLILDSA-N 0 0 222.376 3.577 20 30 BHEDRN C[C@H](NN=C/C=C/c1ccc(F)cc1)C(C)(C)C ZINC000793111535 586010414 /nfs/dbraw/zinc/01/04/14/586010414.db2.gz IQPMJRFHGRTUKE-KMICLDFOSA-N 0 0 248.345 3.849 20 30 BHEDRN C[C@@H](NN=C/C=C\c1ccc(F)cc1)C(C)(C)C ZINC000793111536 586010415 /nfs/dbraw/zinc/01/04/15/586010415.db2.gz IQPMJRFHGRTUKE-MYHLVXSZSA-N 0 0 248.345 3.849 20 30 BHEDRN C[C@H](NN=C/C=C\c1ccc(F)cc1)C(C)(C)C ZINC000793111537 586010409 /nfs/dbraw/zinc/01/04/09/586010409.db2.gz IQPMJRFHGRTUKE-PWLCXTHMSA-N 0 0 248.345 3.849 20 30 BHEDRN C[C@@H](NN=C/C=C/c1ccc(F)cc1)C(C)(C)C ZINC000793111538 586010323 /nfs/dbraw/zinc/01/03/23/586010323.db2.gz IQPMJRFHGRTUKE-XPAVWNBDSA-N 0 0 248.345 3.849 20 30 BHEDRN C[C@H](NN=C1CCC(C)(C)C1)C(C)(C)C ZINC000793111715 586010379 /nfs/dbraw/zinc/01/03/79/586010379.db2.gz LILPFBRUMKVTFD-JTQLQIEISA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@@H](NN=C1CCC(C)(C)C1)C(C)(C)C ZINC000793111716 586010265 /nfs/dbraw/zinc/01/02/65/586010265.db2.gz LILPFBRUMKVTFD-SNVBAGLBSA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@H](NN=C1CCC(C)CC1)C(C)(C)C ZINC000793111745 586010666 /nfs/dbraw/zinc/01/06/66/586010666.db2.gz LPLSKVKDOLJOEC-DTIOYNMSSA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@@H](NN=C1CCC(C)CC1)C(C)(C)C ZINC000793111746 586010321 /nfs/dbraw/zinc/01/03/21/586010321.db2.gz LPLSKVKDOLJOEC-RRKGBCIJSA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@@H](NN=C1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC000793111785 586010623 /nfs/dbraw/zinc/01/06/23/586010623.db2.gz LWTSBTYSAXGIFZ-GRYCIOLGSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@@H](NN=C1C[C@@H](C)C[C@H](C)C1)C(C)(C)C ZINC000793111798 586010527 /nfs/dbraw/zinc/01/05/27/586010527.db2.gz LWTSBTYSAXGIFZ-SDDRHHMPSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@H](NN=C1C[C@@H](C)C[C@H](C)C1)C(C)(C)C ZINC000793111799 586010657 /nfs/dbraw/zinc/01/06/57/586010657.db2.gz LWTSBTYSAXGIFZ-SRVKXCTJSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@H](NN=C1C[C@H](C)C[C@H](C)C1)C(C)(C)C ZINC000793111801 586010543 /nfs/dbraw/zinc/01/05/43/586010543.db2.gz LWTSBTYSAXGIFZ-TUAOUCFPSA-N 0 0 224.392 3.823 20 30 BHEDRN CC[C@@H]1CCCC1=NN[C@H](C)C(C)(C)C ZINC000793112053 586010501 /nfs/dbraw/zinc/01/05/01/586010501.db2.gz ODCGUMOTOKHIHE-GHMZBOCLSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H]1CCCC1=NN[C@H](C)C(C)(C)C ZINC000793112054 586010686 /nfs/dbraw/zinc/01/06/86/586010686.db2.gz ODCGUMOTOKHIHE-MNOVXSKESA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H]1CCCC1=NN[C@@H](C)C(C)(C)C ZINC000793112055 586010562 /nfs/dbraw/zinc/01/05/62/586010562.db2.gz ODCGUMOTOKHIHE-QWRGUYRKSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H]1CCCC1=NN[C@@H](C)C(C)(C)C ZINC000793112056 586010578 /nfs/dbraw/zinc/01/05/78/586010578.db2.gz ODCGUMOTOKHIHE-WDEREUQCSA-N 0 0 210.365 3.577 20 30 BHEDRN CC(=NN[C@H](C)C(C)(C)C)C1CCCC1 ZINC000793112068 586010610 /nfs/dbraw/zinc/01/06/10/586010610.db2.gz OPXSWHVMZMZHKM-LLVKDONJSA-N 0 0 210.365 3.577 20 30 BHEDRN CC(=NN[C@@H](C)C(C)(C)C)C1CCCC1 ZINC000793112069 586010533 /nfs/dbraw/zinc/01/05/33/586010533.db2.gz OPXSWHVMZMZHKM-NSHDSACASA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@@H](NN=C1CC(C)(C)C[C@H]1C)C(C)(C)C ZINC000793112077 586010567 /nfs/dbraw/zinc/01/05/67/586010567.db2.gz OSEIOPLDPZGBAY-GHMZBOCLSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@H](NN=C1CC(C)(C)C[C@H]1C)C(C)(C)C ZINC000793112078 586010529 /nfs/dbraw/zinc/01/05/29/586010529.db2.gz OSEIOPLDPZGBAY-MNOVXSKESA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@H](NN=C1CC(C)(C)C[C@@H]1C)C(C)(C)C ZINC000793112079 586010540 /nfs/dbraw/zinc/01/05/40/586010540.db2.gz OSEIOPLDPZGBAY-QWRGUYRKSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@@H](NN=C1CC(C)(C)C[C@@H]1C)C(C)(C)C ZINC000793112080 586010532 /nfs/dbraw/zinc/01/05/32/586010532.db2.gz OSEIOPLDPZGBAY-WDEREUQCSA-N 0 0 224.392 3.823 20 30 BHEDRN CC(=NN[C@H](C)C(C)(C)C)c1cc(C)oc1C ZINC000793112093 586010495 /nfs/dbraw/zinc/01/04/95/586010495.db2.gz PCUJDLLSXNHPNE-GFCCVEGCSA-N 0 0 236.359 3.645 20 30 BHEDRN CC(=NN[C@@H](C)C(C)(C)C)c1cc(C)oc1C ZINC000793112094 586010619 /nfs/dbraw/zinc/01/06/19/586010619.db2.gz PCUJDLLSXNHPNE-LBPRGKRZSA-N 0 0 236.359 3.645 20 30 BHEDRN C=CCCC(CC)=NN[C@H](C)C(C)(C)C ZINC000793112101 586010245 /nfs/dbraw/zinc/01/02/45/586010245.db2.gz PFZWAOYMVKZZEN-LLVKDONJSA-N 0 0 210.365 3.743 20 30 BHEDRN C=CCCC(CC)=NN[C@@H](C)C(C)(C)C ZINC000793112102 586010342 /nfs/dbraw/zinc/01/03/42/586010342.db2.gz PFZWAOYMVKZZEN-NSHDSACASA-N 0 0 210.365 3.743 20 30 BHEDRN C[C@@H](NN=C1CCC(C)(C)CC1)C(C)(C)C ZINC000793112126 586010612 /nfs/dbraw/zinc/01/06/12/586010612.db2.gz PZWZRGYZTJNFOM-LLVKDONJSA-N 0 0 224.392 3.967 20 30 BHEDRN C[C@H](NN=C1CCC(C)(C)CC1)C(C)(C)C ZINC000793112127 586010524 /nfs/dbraw/zinc/01/05/24/586010524.db2.gz PZWZRGYZTJNFOM-NSHDSACASA-N 0 0 224.392 3.967 20 30 BHEDRN Cc1cc(C=NN[C@H](C)C(C)(C)C)c(C)s1 ZINC000793112516 586010591 /nfs/dbraw/zinc/01/05/91/586010591.db2.gz UEJVCQDKBIPLIU-LLVKDONJSA-N 0 0 238.400 3.723 20 30 BHEDRN Cc1cc(C=NN[C@@H](C)C(C)(C)C)c(C)s1 ZINC000793112519 586010517 /nfs/dbraw/zinc/01/05/17/586010517.db2.gz UEJVCQDKBIPLIU-NSHDSACASA-N 0 0 238.400 3.723 20 30 BHEDRN CC(C)[C@@H]1CCCC1N=N[C@H](C)C(C)(C)C ZINC000793112547 586010253 /nfs/dbraw/zinc/01/02/53/586010253.db2.gz UKJVGKWFCLCZFT-NEPJUHHUSA-N 0 0 224.392 3.823 20 30 BHEDRN CC(C)[C@H]1CCCC1=NN[C@@H](C)C(C)(C)C ZINC000793112549 586010340 /nfs/dbraw/zinc/01/03/40/586010340.db2.gz UKJVGKWFCLCZFT-NWDGAFQWSA-N 0 0 224.392 3.823 20 30 BHEDRN CC(C)[C@@H]1CCCC1=NN[C@@H](C)C(C)(C)C ZINC000793112551 586010393 /nfs/dbraw/zinc/01/03/93/586010393.db2.gz UKJVGKWFCLCZFT-RYUDHWBXSA-N 0 0 224.392 3.823 20 30 BHEDRN CC(C)[C@H]1CCCC1=NN[C@H](C)C(C)(C)C ZINC000793112553 586010352 /nfs/dbraw/zinc/01/03/52/586010352.db2.gz UKJVGKWFCLCZFT-VXGBXAGGSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@@H](NN=Cc1coc2ccccc12)C(C)(C)C ZINC000793112764 586010617 /nfs/dbraw/zinc/01/06/17/586010617.db2.gz WTSRJPMRTFGXLA-LLVKDONJSA-N 0 0 244.338 3.791 20 30 BHEDRN C[C@H](NN=Cc1coc2ccccc12)C(C)(C)C ZINC000793112766 586010653 /nfs/dbraw/zinc/01/06/53/586010653.db2.gz WTSRJPMRTFGXLA-NSHDSACASA-N 0 0 244.338 3.791 20 30 BHEDRN C[C@@H](NN=Cc1cc2ccccc2[nH]1)C(C)(C)C ZINC000793112825 586010496 /nfs/dbraw/zinc/01/04/96/586010496.db2.gz XQWOWHAKNBUULH-LLVKDONJSA-N 0 0 243.354 3.526 20 30 BHEDRN C[C@H](NN=Cc1cc2ccccc2[nH]1)C(C)(C)C ZINC000793112826 586010626 /nfs/dbraw/zinc/01/06/26/586010626.db2.gz XQWOWHAKNBUULH-NSHDSACASA-N 0 0 243.354 3.526 20 30 BHEDRN C[C@@H](NN=C1CCCC(C)(C)C1)C(C)(C)C ZINC000793112859 586010334 /nfs/dbraw/zinc/01/03/34/586010334.db2.gz XYOJAAVGKWMEEH-LLVKDONJSA-N 0 0 224.392 3.967 20 30 BHEDRN C[C@H](NN=C1CCCC(C)(C)C1)C(C)(C)C ZINC000793112861 586010326 /nfs/dbraw/zinc/01/03/26/586010326.db2.gz XYOJAAVGKWMEEH-NSHDSACASA-N 0 0 224.392 3.967 20 30 BHEDRN CC(CSC(C)(C)C)N=N[C@H](C)C(C)(C)C ZINC000793113256 586010642 /nfs/dbraw/zinc/01/06/42/586010642.db2.gz CETKTUJKZYDFSD-LLVKDONJSA-N 0 0 244.448 3.918 20 30 BHEDRN CC(CSC(C)(C)C)=NN[C@@H](C)C(C)(C)C ZINC000793113257 586010593 /nfs/dbraw/zinc/01/05/93/586010593.db2.gz CETKTUJKZYDFSD-NSHDSACASA-N 0 0 244.448 3.918 20 30 BHEDRN C[C@@H](NN=C1CCC[C@@H]1CCF)C(C)(C)C ZINC000793113258 586010641 /nfs/dbraw/zinc/01/06/41/586010641.db2.gz CEWGVPMQVXJBGW-GHMZBOCLSA-N 0 0 228.355 3.526 20 30 BHEDRN C[C@@H](N=NC1CCC[C@H]1CCF)C(C)(C)C ZINC000793113259 586010569 /nfs/dbraw/zinc/01/05/69/586010569.db2.gz CEWGVPMQVXJBGW-MNOVXSKESA-N 0 0 228.355 3.526 20 30 BHEDRN C[C@H](N=NC1CCC[C@H]1CCF)C(C)(C)C ZINC000793113260 586010662 /nfs/dbraw/zinc/01/06/62/586010662.db2.gz CEWGVPMQVXJBGW-QWRGUYRKSA-N 0 0 228.355 3.526 20 30 BHEDRN C[C@H](NN=C1CCC[C@@H]1CCF)C(C)(C)C ZINC000793113261 586010594 /nfs/dbraw/zinc/01/05/94/586010594.db2.gz CEWGVPMQVXJBGW-WDEREUQCSA-N 0 0 228.355 3.526 20 30 BHEDRN C=CCCC(=NN[C@H](C)C(C)(C)C)C1CC1 ZINC000793113426 586010489 /nfs/dbraw/zinc/01/04/89/586010489.db2.gz DZIRMZRJZJQUDS-LLVKDONJSA-N 0 0 222.376 3.743 20 30 BHEDRN C=CCCC(N=N[C@@H](C)C(C)(C)C)C1CC1 ZINC000793113427 586010522 /nfs/dbraw/zinc/01/05/22/586010522.db2.gz DZIRMZRJZJQUDS-NSHDSACASA-N 0 0 222.376 3.743 20 30 BHEDRN C[C@@H](NN=C1CCC[C@H]1CCCF)C(C)(C)C ZINC000793113488 586010607 /nfs/dbraw/zinc/01/06/07/586010607.db2.gz GAFBBFWZIGLHNH-NEPJUHHUSA-N 0 0 242.382 3.916 20 30 BHEDRN C[C@H](N=NC1CCC[C@@H]1CCCF)C(C)(C)C ZINC000793113520 586010643 /nfs/dbraw/zinc/01/06/43/586010643.db2.gz GAFBBFWZIGLHNH-NWDGAFQWSA-N 0 0 242.382 3.916 20 30 BHEDRN C[C@H](N=NC1CCC[C@H]1CCCF)C(C)(C)C ZINC000793113523 586010580 /nfs/dbraw/zinc/01/05/80/586010580.db2.gz GAFBBFWZIGLHNH-RYUDHWBXSA-N 0 0 242.382 3.916 20 30 BHEDRN C[C@@H](NN=C1CCC[C@@H]1CCCF)C(C)(C)C ZINC000793113526 586010697 /nfs/dbraw/zinc/01/06/97/586010697.db2.gz GAFBBFWZIGLHNH-VXGBXAGGSA-N 0 0 242.382 3.916 20 30 BHEDRN C[C@@H](N=NC1CCC[C@@H](C)C1)C(C)(C)C ZINC000793113532 586010481 /nfs/dbraw/zinc/01/04/81/586010481.db2.gz GDJWUNYBOFERER-GHMZBOCLSA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@H](N=NC1CCC[C@@H](C)C1)C(C)(C)C ZINC000793113535 586010588 /nfs/dbraw/zinc/01/05/88/586010588.db2.gz GDJWUNYBOFERER-MNOVXSKESA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@H](N=NC1CCC[C@H](C)C1)C(C)(C)C ZINC000793113537 586010692 /nfs/dbraw/zinc/01/06/92/586010692.db2.gz GDJWUNYBOFERER-QWRGUYRKSA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@@H](N=NC1CCC[C@H](C)C1)C(C)(C)C ZINC000793113540 586010545 /nfs/dbraw/zinc/01/05/45/586010545.db2.gz GDJWUNYBOFERER-WDEREUQCSA-N 0 0 210.365 3.577 20 30 BHEDRN Cc1cccc(C)c1C=NN[C@H](C)C(C)(C)C ZINC000793113626 586010696 /nfs/dbraw/zinc/01/06/96/586010696.db2.gz BHERWJKLFHWBBJ-CYBMUJFWSA-N 0 0 232.371 3.662 20 30 BHEDRN Cc1cccc(C)c1C=NN[C@@H](C)C(C)(C)C ZINC000793113627 586010523 /nfs/dbraw/zinc/01/05/23/586010523.db2.gz BHERWJKLFHWBBJ-ZDUSSCGKSA-N 0 0 232.371 3.662 20 30 BHEDRN Cc1ccc(C=NN[C@H](C)C(C)(C)C)c(C)c1 ZINC000793113739 586010689 /nfs/dbraw/zinc/01/06/89/586010689.db2.gz CBIPNRVAFREELA-CYBMUJFWSA-N 0 0 232.371 3.662 20 30 BHEDRN Cc1ccc(C=NN[C@@H](C)C(C)(C)C)c(C)c1 ZINC000793113742 586010539 /nfs/dbraw/zinc/01/05/39/586010539.db2.gz CBIPNRVAFREELA-ZDUSSCGKSA-N 0 0 232.371 3.662 20 30 BHEDRN CC(=NN[C@H](C)C(C)(C)C)c1ccccc1F ZINC000793113771 586010825 /nfs/dbraw/zinc/01/08/25/586010825.db2.gz CLKQVBDMEVUKSW-LLVKDONJSA-N 0 0 236.334 3.574 20 30 BHEDRN CC(=NN[C@@H](C)C(C)(C)C)c1ccccc1F ZINC000793113772 586010887 /nfs/dbraw/zinc/01/08/87/586010887.db2.gz CLKQVBDMEVUKSW-NSHDSACASA-N 0 0 236.334 3.574 20 30 BHEDRN CC(N=N[C@H](C)C(C)(C)C)C1CCCCC1 ZINC000793113821 583553178 /nfs/dbraw/zinc/55/31/78/583553178.db2.gz GUTYJJVIVRJEMP-GFCCVEGCSA-N 0 0 224.392 3.967 20 30 BHEDRN CC(N=N[C@@H](C)C(C)(C)C)C1CCCCC1 ZINC000793113823 583552897 /nfs/dbraw/zinc/55/28/97/583552897.db2.gz GUTYJJVIVRJEMP-LBPRGKRZSA-N 0 0 224.392 3.967 20 30 BHEDRN C[C@H](NN=C/C=C/c1ccccc1)C(C)(C)C ZINC000793113873 586010716 /nfs/dbraw/zinc/01/07/16/586010716.db2.gz HPBHRVKWNLDKDK-BKQBGPKDSA-N 0 0 230.355 3.710 20 30 BHEDRN C[C@@H](NN=C/C=C\c1ccccc1)C(C)(C)C ZINC000793113876 586010855 /nfs/dbraw/zinc/01/08/55/586010855.db2.gz HPBHRVKWNLDKDK-HKJXDWOSSA-N 0 0 230.355 3.710 20 30 BHEDRN C[C@@H](NN=C/C=C/c1ccccc1)C(C)(C)C ZINC000793113879 586010888 /nfs/dbraw/zinc/01/08/88/586010888.db2.gz HPBHRVKWNLDKDK-RTJZFLFLSA-N 0 0 230.355 3.710 20 30 BHEDRN C[C@H](NN=C/C=C\c1ccccc1)C(C)(C)C ZINC000793113881 586010863 /nfs/dbraw/zinc/01/08/63/586010863.db2.gz HPBHRVKWNLDKDK-XPURRVSYSA-N 0 0 230.355 3.710 20 30 BHEDRN CC[C@H]1CCCCC1=NN[C@H](C)C(C)(C)C ZINC000793114042 586010784 /nfs/dbraw/zinc/01/07/84/586010784.db2.gz JAFYDXUVTKYOAN-NEPJUHHUSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@@H]1CCCCC1=NN[C@@H](C)C(C)(C)C ZINC000793114045 586010787 /nfs/dbraw/zinc/01/07/87/586010787.db2.gz JAFYDXUVTKYOAN-NWDGAFQWSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@H]1CCCCC1=NN[C@@H](C)C(C)(C)C ZINC000793114047 586010740 /nfs/dbraw/zinc/01/07/40/586010740.db2.gz JAFYDXUVTKYOAN-RYUDHWBXSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@@H]1CCCCC1=NN[C@H](C)C(C)(C)C ZINC000793114050 586010459 /nfs/dbraw/zinc/01/04/59/586010459.db2.gz JAFYDXUVTKYOAN-VXGBXAGGSA-N 0 0 224.392 3.967 20 30 BHEDRN C[C@@H](NN=Cc1sccc1Cl)C(C)(C)C ZINC000793114086 583553450 /nfs/dbraw/zinc/55/34/50/583553450.db2.gz DKVYDCGIMBHHKU-MRVPVSSYSA-N 0 0 244.791 3.760 20 30 BHEDRN C[C@H](NN=Cc1sccc1Cl)C(C)(C)C ZINC000793114114 583553525 /nfs/dbraw/zinc/55/35/25/583553525.db2.gz DKVYDCGIMBHHKU-QMMMGPOBSA-N 0 0 244.791 3.760 20 30 BHEDRN CC(CC1CCC1)=NN[C@H](C)C(C)(C)C ZINC000793114303 586010725 /nfs/dbraw/zinc/01/07/25/586010725.db2.gz KTWJEAGPLAKJCI-LLVKDONJSA-N 0 0 210.365 3.577 20 30 BHEDRN CC(CC1CCC1)=NN[C@@H](C)C(C)(C)C ZINC000793114304 586010853 /nfs/dbraw/zinc/01/08/53/586010853.db2.gz KTWJEAGPLAKJCI-NSHDSACASA-N 0 0 210.365 3.577 20 30 BHEDRN CCCCCC(C)=NN[C@H](C)C(C)(C)C ZINC000793114326 586010738 /nfs/dbraw/zinc/01/07/38/586010738.db2.gz LDFOBFDRUDOUST-GFCCVEGCSA-N 0 0 212.381 3.967 20 30 BHEDRN CCCCCC(C)=NN[C@@H](C)C(C)(C)C ZINC000793114331 586010727 /nfs/dbraw/zinc/01/07/27/586010727.db2.gz LDFOBFDRUDOUST-LBPRGKRZSA-N 0 0 212.381 3.967 20 30 BHEDRN CCCC(CCC)N=N[C@H](C)C(C)(C)C ZINC000793114371 583553559 /nfs/dbraw/zinc/55/35/59/583553559.db2.gz GHPMLBGXYKVEMM-LLVKDONJSA-N 0 0 212.381 3.967 20 30 BHEDRN CCCC(CCC)N=N[C@@H](C)C(C)(C)C ZINC000793114376 583553535 /nfs/dbraw/zinc/55/35/35/583553535.db2.gz GHPMLBGXYKVEMM-NSHDSACASA-N 0 0 212.381 3.967 20 30 BHEDRN C[C@H](NN=Cc1ccc(Cl)cc1)C(C)(C)C ZINC000793114636 583553466 /nfs/dbraw/zinc/55/34/66/583553466.db2.gz MMPABFOUFWMUNP-JTQLQIEISA-N 0 0 238.762 3.698 20 30 BHEDRN C[C@@H](NN=Cc1cc2ccccc2o1)C(C)(C)C ZINC000793114649 583553455 /nfs/dbraw/zinc/55/34/55/583553455.db2.gz IGEMQWCDURWXDD-LLVKDONJSA-N 0 0 244.338 3.791 20 30 BHEDRN C[C@H](NN=Cc1cc2ccccc2o1)C(C)(C)C ZINC000793114653 583553422 /nfs/dbraw/zinc/55/34/22/583553422.db2.gz IGEMQWCDURWXDD-NSHDSACASA-N 0 0 244.338 3.791 20 30 BHEDRN C[C@@H](NN=Cc1ccc(Cl)cc1)C(C)(C)C ZINC000793114663 583553771 /nfs/dbraw/zinc/55/37/71/583553771.db2.gz MMPABFOUFWMUNP-SNVBAGLBSA-N 0 0 238.762 3.698 20 30 BHEDRN CCCCC(CC)=NN[C@H](C)C(C)(C)C ZINC000793114783 583553818 /nfs/dbraw/zinc/55/38/18/583553818.db2.gz JFHQSEOCJKEYED-LLVKDONJSA-N 0 0 212.381 3.967 20 30 BHEDRN CCCCC(CC)N=N[C@@H](C)C(C)(C)C ZINC000793114785 583553786 /nfs/dbraw/zinc/55/37/86/583553786.db2.gz JFHQSEOCJKEYED-NSHDSACASA-N 0 0 212.381 3.967 20 30 BHEDRN C[C@H](NN=C1CCC[C@H](C2CC2)C1)C(C)(C)C ZINC000793114822 586010860 /nfs/dbraw/zinc/01/08/60/586010860.db2.gz NUWKHCJVKYVYJW-AAEUAGOBSA-N 0 0 236.403 3.967 20 30 BHEDRN C[C@@H](NN=C1CCC[C@@H](C2CC2)C1)C(C)(C)C ZINC000793114831 586010729 /nfs/dbraw/zinc/01/07/29/586010729.db2.gz NUWKHCJVKYVYJW-DGCLKSJQSA-N 0 0 236.403 3.967 20 30 BHEDRN C[C@H](NN=C1CCC[C@@H](C2CC2)C1)C(C)(C)C ZINC000793114836 586010766 /nfs/dbraw/zinc/01/07/66/586010766.db2.gz NUWKHCJVKYVYJW-WCQYABFASA-N 0 0 236.403 3.967 20 30 BHEDRN C[C@@H](NN=C1CCC[C@H](C2CC2)C1)C(C)(C)C ZINC000793114841 586010899 /nfs/dbraw/zinc/01/08/99/586010899.db2.gz NUWKHCJVKYVYJW-YPMHNXCESA-N 0 0 236.403 3.967 20 30 BHEDRN C[C@@H](NN=Cc1ccc2[nH]ccc2c1)C(C)(C)C ZINC000793115201 583553478 /nfs/dbraw/zinc/55/34/78/583553478.db2.gz PWFKDBFLKHCKOE-LLVKDONJSA-N 0 0 243.354 3.526 20 30 BHEDRN C[C@H](NN=Cc1ccc2[nH]ccc2c1)C(C)(C)C ZINC000793115212 583553454 /nfs/dbraw/zinc/55/34/54/583553454.db2.gz PWFKDBFLKHCKOE-NSHDSACASA-N 0 0 243.354 3.526 20 30 BHEDRN CC(CCc1ccco1)N=N[C@H](C)C(C)(C)C ZINC000793115218 583553735 /nfs/dbraw/zinc/55/37/35/583553735.db2.gz QAPYUPYLCUSCEL-GFCCVEGCSA-N 0 0 236.359 3.612 20 30 BHEDRN CC(CCc1ccco1)N=N[C@@H](C)C(C)(C)C ZINC000793115223 583553764 /nfs/dbraw/zinc/55/37/64/583553764.db2.gz QAPYUPYLCUSCEL-LBPRGKRZSA-N 0 0 236.359 3.612 20 30 BHEDRN C[C@@H](NN=Cc1cscc1Cl)C(C)(C)C ZINC000793115352 586010823 /nfs/dbraw/zinc/01/08/23/586010823.db2.gz MKAZJBRUNHEAPB-MRVPVSSYSA-N 0 0 244.791 3.760 20 30 BHEDRN C[C@H](NN=Cc1cscc1Cl)C(C)(C)C ZINC000793115353 586010812 /nfs/dbraw/zinc/01/08/12/586010812.db2.gz MKAZJBRUNHEAPB-QMMMGPOBSA-N 0 0 244.791 3.760 20 30 BHEDRN Cc1ccc(C)c(C=NN[C@H](C)C(C)(C)C)c1 ZINC000793115464 586010892 /nfs/dbraw/zinc/01/08/92/586010892.db2.gz MVUCOSBAPHGPKC-CYBMUJFWSA-N 0 0 232.371 3.662 20 30 BHEDRN Cc1ccc(C)c(C=NN[C@@H](C)C(C)(C)C)c1 ZINC000793115466 586010907 /nfs/dbraw/zinc/01/09/07/586010907.db2.gz MVUCOSBAPHGPKC-ZDUSSCGKSA-N 0 0 232.371 3.662 20 30 BHEDRN C[C@@H](NN=Cc1cccc2[nH]ccc21)C(C)(C)C ZINC000793115536 586010774 /nfs/dbraw/zinc/01/07/74/586010774.db2.gz RMLIXCZBBFIGPX-LLVKDONJSA-N 0 0 243.354 3.526 20 30 BHEDRN C[C@H](NN=Cc1cccc2[nH]ccc21)C(C)(C)C ZINC000793115538 586010770 /nfs/dbraw/zinc/01/07/70/586010770.db2.gz RMLIXCZBBFIGPX-NSHDSACASA-N 0 0 243.354 3.526 20 30 BHEDRN C[C@@H](NN=Cc1ccc2occc2c1)C(C)(C)C ZINC000793115606 583554292 /nfs/dbraw/zinc/55/42/92/583554292.db2.gz OBVPJABKSPJIRE-LLVKDONJSA-N 0 0 244.338 3.791 20 30 BHEDRN C[C@H](NN=Cc1ccc2occc2c1)C(C)(C)C ZINC000793115608 583554278 /nfs/dbraw/zinc/55/42/78/583554278.db2.gz OBVPJABKSPJIRE-NSHDSACASA-N 0 0 244.338 3.791 20 30 BHEDRN CC(CC1CCCC1)N=N[C@H](C)C(C)(C)C ZINC000793115686 586010781 /nfs/dbraw/zinc/01/07/81/586010781.db2.gz OSUOXVQAGNWQHW-GFCCVEGCSA-N 0 0 224.392 3.967 20 30 BHEDRN CC(CC1CCCC1)N=N[C@@H](C)C(C)(C)C ZINC000793115689 586010851 /nfs/dbraw/zinc/01/08/51/586010851.db2.gz OSUOXVQAGNWQHW-LBPRGKRZSA-N 0 0 224.392 3.967 20 30 BHEDRN C[C@@H](NN=C1CCCCC1(C)C)C(C)(C)C ZINC000793115816 586011020 /nfs/dbraw/zinc/01/10/20/586011020.db2.gz PDICIVNRGACPAF-LLVKDONJSA-N 0 0 224.392 3.967 20 30 BHEDRN C[C@H](NN=C1CCCCC1(C)C)C(C)(C)C ZINC000793115817 586011093 /nfs/dbraw/zinc/01/10/93/586011093.db2.gz PDICIVNRGACPAF-NSHDSACASA-N 0 0 224.392 3.967 20 30 BHEDRN C[C@@H](NN=C1CCC12CCCC2)C(C)(C)C ZINC000793115864 586010986 /nfs/dbraw/zinc/01/09/86/586010986.db2.gz PTECGUBTJREAMT-LLVKDONJSA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@H](NN=C1CCC12CCCC2)C(C)(C)C ZINC000793115865 586011091 /nfs/dbraw/zinc/01/10/91/586011091.db2.gz PTECGUBTJREAMT-NSHDSACASA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@@H](NN=C1CCC2(CC2)CC1)C(C)(C)C ZINC000793115894 586010999 /nfs/dbraw/zinc/01/09/99/586010999.db2.gz PZJQMNICRBIAGD-LLVKDONJSA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@H](NN=C1CCC2(CC2)CC1)C(C)(C)C ZINC000793115897 586010937 /nfs/dbraw/zinc/01/09/37/586010937.db2.gz PZJQMNICRBIAGD-NSHDSACASA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@H](NN=Cc1cccc(Cl)c1)C(C)(C)C ZINC000793115933 586011063 /nfs/dbraw/zinc/01/10/63/586011063.db2.gz UNQISIJJWWNKIT-JTQLQIEISA-N 0 0 238.762 3.698 20 30 BHEDRN C[C@@H](NN=Cc1cccc(Cl)c1)C(C)(C)C ZINC000793115934 586010966 /nfs/dbraw/zinc/01/09/66/586010966.db2.gz UNQISIJJWWNKIT-SNVBAGLBSA-N 0 0 238.762 3.698 20 30 BHEDRN CC[C@H]1CCCC(=NN[C@H](C)C(C)(C)C)C1 ZINC000793115947 586010928 /nfs/dbraw/zinc/01/09/28/586010928.db2.gz USFPIBAYUGRPNH-NEPJUHHUSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@@H]1CCCC(=NN[C@@H](C)C(C)(C)C)C1 ZINC000793115948 586010320 /nfs/dbraw/zinc/01/03/20/586010320.db2.gz USFPIBAYUGRPNH-NWDGAFQWSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@H]1CCCC(=NN[C@@H](C)C(C)(C)C)C1 ZINC000793115949 586010429 /nfs/dbraw/zinc/01/04/29/586010429.db2.gz USFPIBAYUGRPNH-RYUDHWBXSA-N 0 0 224.392 3.967 20 30 BHEDRN CC[C@@H]1CCCC(=NN[C@H](C)C(C)(C)C)C1 ZINC000793115950 586010462 /nfs/dbraw/zinc/01/04/62/586010462.db2.gz USFPIBAYUGRPNH-VXGBXAGGSA-N 0 0 224.392 3.967 20 30 BHEDRN C[C@@H](NN=C1CCC[C@@H](C)[C@@H]1C)C(C)(C)C ZINC000793116207 586010991 /nfs/dbraw/zinc/01/09/91/586010991.db2.gz RGJJZSGWDMNJSA-GRYCIOLGSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@@H](NN=C1CCC[C@@H](C)[C@H]1C)C(C)(C)C ZINC000793116209 586011079 /nfs/dbraw/zinc/01/10/79/586011079.db2.gz RGJJZSGWDMNJSA-IJLUTSLNSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@H](NN=C1CCC[C@@H](C)[C@H]1C)C(C)(C)C ZINC000793116210 586011012 /nfs/dbraw/zinc/01/10/12/586011012.db2.gz RGJJZSGWDMNJSA-UTUOFQBUSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@H](NN=C1CCC[C@@H](C)[C@@H]1C)C(C)(C)C ZINC000793116211 586010932 /nfs/dbraw/zinc/01/09/32/586010932.db2.gz RGJJZSGWDMNJSA-WOPDTQHZSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@@H](NN=Cc1c[nH]c2ccccc12)C(C)(C)C ZINC000793116300 583554243 /nfs/dbraw/zinc/55/42/43/583554243.db2.gz WXEGXZBEKSAMCA-LLVKDONJSA-N 0 0 243.354 3.526 20 30 BHEDRN C[C@H](NN=Cc1c[nH]c2ccccc12)C(C)(C)C ZINC000793116304 583554372 /nfs/dbraw/zinc/55/43/72/583554372.db2.gz WXEGXZBEKSAMCA-NSHDSACASA-N 0 0 243.354 3.526 20 30 BHEDRN Cc1cccc(C=NN[C@H](C)C(C)(C)C)c1C ZINC000793116392 586011068 /nfs/dbraw/zinc/01/10/68/586011068.db2.gz XKNKHFVIZYPPCJ-CYBMUJFWSA-N 0 0 232.371 3.662 20 30 BHEDRN Cc1cccc(C=NN[C@@H](C)C(C)(C)C)c1C ZINC000793116394 586010922 /nfs/dbraw/zinc/01/09/22/586010922.db2.gz XKNKHFVIZYPPCJ-ZDUSSCGKSA-N 0 0 232.371 3.662 20 30 BHEDRN C[C@H](NN=C1CCCC1(C)C)C(C)(C)C ZINC000793116494 586010431 /nfs/dbraw/zinc/01/04/31/586010431.db2.gz SVPMOUFWSKOJIF-JTQLQIEISA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@@H](NN=C1CCCC1(C)C)C(C)(C)C ZINC000793116496 586010283 /nfs/dbraw/zinc/01/02/83/586010283.db2.gz SVPMOUFWSKOJIF-SNVBAGLBSA-N 0 0 210.365 3.577 20 30 BHEDRN Cc1cc(C)c(C=NN[C@@H](C)C(C)(C)C)c(C)c1 ZINC000793116509 586011090 /nfs/dbraw/zinc/01/10/90/586011090.db2.gz YRNZBDQKQJXUAW-AWEZNQCLSA-N 0 0 246.398 3.970 20 30 BHEDRN Cc1cc(C)c(C=NN[C@H](C)C(C)(C)C)c(C)c1 ZINC000793116518 586011046 /nfs/dbraw/zinc/01/10/46/586011046.db2.gz YRNZBDQKQJXUAW-CQSZACIVSA-N 0 0 246.398 3.970 20 30 BHEDRN CC(=NN[C@H](C)C(C)(C)C)c1sccc1C ZINC000793116793 586011030 /nfs/dbraw/zinc/01/10/30/586011030.db2.gz UTGALJSOYLKPNN-LLVKDONJSA-N 0 0 238.400 3.805 20 30 BHEDRN CC(=NN[C@@H](C)C(C)(C)C)c1sccc1C ZINC000793116794 586011023 /nfs/dbraw/zinc/01/10/23/586011023.db2.gz UTGALJSOYLKPNN-NSHDSACASA-N 0 0 238.400 3.805 20 30 BHEDRN C[C@H](NN=Cc1ccc([C@H]2C[C@H]2C)o1)C(C)(C)C ZINC000793116821 586011019 /nfs/dbraw/zinc/01/10/19/586011019.db2.gz UWXFMLMIQODYPQ-MDZLAQPJSA-N 0 0 248.370 3.761 20 30 BHEDRN C[C@@H](NN=Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)(C)C ZINC000793116823 583554011 /nfs/dbraw/zinc/55/40/11/583554011.db2.gz UWXFMLMIQODYPQ-NQBHXWOUSA-N 0 0 248.370 3.761 20 30 BHEDRN C[C@H](NN=Cc1ccc([C@@H]2C[C@H]2C)o1)C(C)(C)C ZINC000793116828 583554035 /nfs/dbraw/zinc/55/40/35/583554035.db2.gz UWXFMLMIQODYPQ-NTZNESFSSA-N 0 0 248.370 3.761 20 30 BHEDRN C[C@@H](NN=Cc1ccc([C@H]2C[C@H]2C)o1)C(C)(C)C ZINC000793116831 583554428 /nfs/dbraw/zinc/55/44/28/583554428.db2.gz UWXFMLMIQODYPQ-WZRBSPASSA-N 0 0 248.370 3.761 20 30 BHEDRN C[C@H](NN=Cc1ccccc1Cl)C(C)(C)C ZINC000793116865 586011048 /nfs/dbraw/zinc/01/10/48/586011048.db2.gz VBBCPJKFARPCPQ-JTQLQIEISA-N 0 0 238.762 3.698 20 30 BHEDRN C[C@@H](NN=Cc1ccccc1Cl)C(C)(C)C ZINC000793116868 586010983 /nfs/dbraw/zinc/01/09/83/586010983.db2.gz VBBCPJKFARPCPQ-SNVBAGLBSA-N 0 0 238.762 3.698 20 30 BHEDRN C[C@@H](N=NC1CCCC[C@H]1C)C(C)(C)C ZINC000793116889 586010992 /nfs/dbraw/zinc/01/09/92/586010992.db2.gz VCCGMEZMGRZNDO-GHMZBOCLSA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@H](N=NC1CCCC[C@H]1C)C(C)(C)C ZINC000793116891 586011007 /nfs/dbraw/zinc/01/10/07/586011007.db2.gz VCCGMEZMGRZNDO-MNOVXSKESA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@H](NN=C1CCCC[C@@H]1C)C(C)(C)C ZINC000793116893 586011066 /nfs/dbraw/zinc/01/10/66/586011066.db2.gz VCCGMEZMGRZNDO-QWRGUYRKSA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@@H](NN=C1CCCC[C@@H]1C)C(C)(C)C ZINC000793116895 586011054 /nfs/dbraw/zinc/01/10/54/586011054.db2.gz VCCGMEZMGRZNDO-WDEREUQCSA-N 0 0 210.365 3.577 20 30 BHEDRN C[C@@H](NN=Cc1ccc(Cl)s1)C(C)(C)C ZINC000793116934 586011004 /nfs/dbraw/zinc/01/10/04/586011004.db2.gz VRXPETRWAFDMND-MRVPVSSYSA-N 0 0 244.791 3.760 20 30 BHEDRN C[C@H](NN=Cc1ccc(Cl)s1)C(C)(C)C ZINC000793116935 586010934 /nfs/dbraw/zinc/01/09/34/586010934.db2.gz VRXPETRWAFDMND-QMMMGPOBSA-N 0 0 244.791 3.760 20 30 BHEDRN C[C@@H](NN=C1CCCCCC1)C(C)(C)C ZINC000793117166 583554203 /nfs/dbraw/zinc/55/42/03/583554203.db2.gz WVXDWHYKPBFTMP-LLVKDONJSA-N 0 0 210.365 3.721 20 30 BHEDRN C[C@H](N=NC1CCCCCC1)C(C)(C)C ZINC000793117175 583554370 /nfs/dbraw/zinc/55/43/70/583554370.db2.gz WVXDWHYKPBFTMP-NSHDSACASA-N 0 0 210.365 3.721 20 30 BHEDRN CCc1ccc(C=NN[C@@H](C)C(C)(C)C)s1 ZINC000793117425 583554531 /nfs/dbraw/zinc/55/45/31/583554531.db2.gz XELGZXCGELCTME-JTQLQIEISA-N 0 0 238.400 3.669 20 30 BHEDRN CCc1ccc(C=NN[C@H](C)C(C)(C)C)s1 ZINC000793117439 583554570 /nfs/dbraw/zinc/55/45/70/583554570.db2.gz XELGZXCGELCTME-SNVBAGLBSA-N 0 0 238.400 3.669 20 30 BHEDRN C[C@@H](NN=C1CC[C@@H](C)C[C@@H]1C)C(C)(C)C ZINC000793117609 586011031 /nfs/dbraw/zinc/01/10/31/586011031.db2.gz XQDMPBCRLDOUFE-GRYCIOLGSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@@H](N=NC1CC[C@@H](C)C[C@H]1C)C(C)(C)C ZINC000793117614 586011116 /nfs/dbraw/zinc/01/11/16/586011116.db2.gz XQDMPBCRLDOUFE-IJLUTSLNSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@H](NN=C1CC[C@@H](C)C[C@H]1C)C(C)(C)C ZINC000793117619 586011039 /nfs/dbraw/zinc/01/10/39/586011039.db2.gz XQDMPBCRLDOUFE-UTUOFQBUSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@H](N=NC1CC[C@@H](C)C[C@@H]1C)C(C)(C)C ZINC000793117625 586011047 /nfs/dbraw/zinc/01/10/47/586011047.db2.gz XQDMPBCRLDOUFE-WOPDTQHZSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@@H](NN=C1CC[C@H]1C(C)(C)C)C(C)(C)C ZINC000793117700 586011085 /nfs/dbraw/zinc/01/10/85/586011085.db2.gz XWSINQGRDIVDKX-GHMZBOCLSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@@H](NN=C1CC[C@@H]1C(C)(C)C)C(C)(C)C ZINC000793117705 586011052 /nfs/dbraw/zinc/01/10/52/586011052.db2.gz XWSINQGRDIVDKX-MNOVXSKESA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@H](NN=C1CC[C@@H]1C(C)(C)C)C(C)(C)C ZINC000793117709 586011057 /nfs/dbraw/zinc/01/10/57/586011057.db2.gz XWSINQGRDIVDKX-QWRGUYRKSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@H](NN=C1CC[C@H]1C(C)(C)C)C(C)(C)C ZINC000793117712 586010969 /nfs/dbraw/zinc/01/09/69/586010969.db2.gz XWSINQGRDIVDKX-WDEREUQCSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@@H](NN=C1CC[C@@H](C)[C@@H](C)C1)C(C)(C)C ZINC000793117780 583554936 /nfs/dbraw/zinc/55/49/36/583554936.db2.gz YFYQXCXMDRKVMV-GRYCIOLGSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@@H](NN=C1CC[C@@H](C)[C@H](C)C1)C(C)(C)C ZINC000793117940 583554686 /nfs/dbraw/zinc/55/46/86/583554686.db2.gz YFYQXCXMDRKVMV-IJLUTSLNSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@H](NN=C1CC[C@@H](C)[C@H](C)C1)C(C)(C)C ZINC000793117941 583554840 /nfs/dbraw/zinc/55/48/40/583554840.db2.gz YFYQXCXMDRKVMV-UTUOFQBUSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@H](NN=C1CC[C@@H](C)[C@@H](C)C1)C(C)(C)C ZINC000793117942 583554950 /nfs/dbraw/zinc/55/49/50/583554950.db2.gz YFYQXCXMDRKVMV-WOPDTQHZSA-N 0 0 224.392 3.823 20 30 BHEDRN C[C@@H](NN=Cc1ccccc1C1CC1)C(C)(C)C ZINC000793118046 586010910 /nfs/dbraw/zinc/01/09/10/586010910.db2.gz ZTJXPAXKHIBXKZ-GFCCVEGCSA-N 0 0 244.382 3.922 20 30 BHEDRN C[C@H](NN=Cc1ccccc1C1CC1)C(C)(C)C ZINC000793118047 586010914 /nfs/dbraw/zinc/01/09/14/586010914.db2.gz ZTJXPAXKHIBXKZ-LBPRGKRZSA-N 0 0 244.382 3.922 20 30 BHEDRN CC(Cc1cccs1)N=N[C@H](C)C(C)(C)C ZINC000793118052 586010936 /nfs/dbraw/zinc/01/09/36/586010936.db2.gz ZWPNEFYNRHLJJW-LLVKDONJSA-N 0 0 238.400 3.691 20 30 BHEDRN CC(Cc1cccs1)N=N[C@@H](C)C(C)(C)C ZINC000793118053 586010963 /nfs/dbraw/zinc/01/09/63/586010963.db2.gz ZWPNEFYNRHLJJW-NSHDSACASA-N 0 0 238.400 3.691 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1cc(C)oc1C ZINC000793143852 586011458 /nfs/dbraw/zinc/01/14/58/586011458.db2.gz APLRUXUZIHWUHZ-SECBINFHSA-N 0 0 223.316 3.683 20 30 BHEDRN CC[C@H](C)CON=C(C)c1cc(C)oc1C ZINC000793143853 586011351 /nfs/dbraw/zinc/01/13/51/586011351.db2.gz APLRUXUZIHWUHZ-VIFPVBQESA-N 0 0 223.316 3.683 20 30 BHEDRN CC[C@@H](C)CON=C(C)Cc1ccccc1OC ZINC000793143998 586011390 /nfs/dbraw/zinc/01/13/90/586011390.db2.gz BDOMCQISMQVISN-GFCCVEGCSA-N 0 0 249.354 3.676 20 30 BHEDRN CC[C@H](C)CON=C(C)Cc1ccccc1OC ZINC000793144012 586011443 /nfs/dbraw/zinc/01/14/43/586011443.db2.gz BDOMCQISMQVISN-LBPRGKRZSA-N 0 0 249.354 3.676 20 30 BHEDRN CC[C@@H](C)CON=CCCc1ccc(C#N)cc1 ZINC000793144127 586011577 /nfs/dbraw/zinc/01/15/77/586011577.db2.gz BWOMYWXBDAGTLW-CYBMUJFWSA-N 0 0 244.338 3.539 20 30 BHEDRN CC[C@H](C)CON=CCCc1ccc(C#N)cc1 ZINC000793144142 586011409 /nfs/dbraw/zinc/01/14/09/586011409.db2.gz BWOMYWXBDAGTLW-ZDUSSCGKSA-N 0 0 244.338 3.539 20 30 BHEDRN CC[C@H](C)CON=C(C)c1coc(C(C)C)n1 ZINC000793144500 586011542 /nfs/dbraw/zinc/01/15/42/586011542.db2.gz DANIPXYHWPFNQV-JTQLQIEISA-N 0 0 238.331 3.585 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1coc(C(C)C)n1 ZINC000793144501 586011560 /nfs/dbraw/zinc/01/15/60/586011560.db2.gz DANIPXYHWPFNQV-SNVBAGLBSA-N 0 0 238.331 3.585 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1cc(C)c(C)o1 ZINC000793144514 586011436 /nfs/dbraw/zinc/01/14/36/586011436.db2.gz DHSUKEQYURCXIM-SECBINFHSA-N 0 0 223.316 3.683 20 30 BHEDRN CC[C@H](C)CON=C(C)c1cc(C)c(C)o1 ZINC000793144515 583557904 /nfs/dbraw/zinc/55/79/04/583557904.db2.gz DHSUKEQYURCXIM-VIFPVBQESA-N 0 0 223.316 3.683 20 30 BHEDRN CC[C@H](C)CON=CCCCOc1ccccc1 ZINC000793144607 586011453 /nfs/dbraw/zinc/01/14/53/586011453.db2.gz DWEWWEBABWTBLS-AWEZNQCLSA-N 0 0 249.354 3.894 20 30 BHEDRN CC[C@@H](C)CON=CCCCOc1ccccc1 ZINC000793144610 586011521 /nfs/dbraw/zinc/01/15/21/586011521.db2.gz DWEWWEBABWTBLS-CQSZACIVSA-N 0 0 249.354 3.894 20 30 BHEDRN CC[C@@H](C)CON=Cc1ccc2ncccc2c1 ZINC000793144620 586011358 /nfs/dbraw/zinc/01/13/58/586011358.db2.gz FASXLIHOKLJKOP-GFCCVEGCSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@H](C)CON=Cc1ccc2ncccc2c1 ZINC000793144621 586011455 /nfs/dbraw/zinc/01/14/55/586011455.db2.gz FASXLIHOKLJKOP-LBPRGKRZSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1sccc1C ZINC000793144647 583558164 /nfs/dbraw/zinc/55/81/64/583558164.db2.gz FGRGZAQEVPBEAJ-SECBINFHSA-N 0 0 225.357 3.843 20 30 BHEDRN CC[C@H](C)CON=C(C)c1sccc1C ZINC000793144659 583557928 /nfs/dbraw/zinc/55/79/28/583557928.db2.gz FGRGZAQEVPBEAJ-VIFPVBQESA-N 0 0 225.357 3.843 20 30 BHEDRN CC[C@H](C)CON=C[C@@H]1C[C@@H]1c1ccccc1 ZINC000793144676 586011375 /nfs/dbraw/zinc/01/13/75/586011375.db2.gz FOZGMMXANKFVEN-AEGPPILISA-N 0 0 231.339 3.839 20 30 BHEDRN CC[C@H](C)CON=C[C@H]1C[C@H]1c1ccccc1 ZINC000793144684 586011435 /nfs/dbraw/zinc/01/14/35/586011435.db2.gz FOZGMMXANKFVEN-CFVMTHIKSA-N 0 0 231.339 3.839 20 30 BHEDRN CC[C@H](C)CON=C[C@H]1C[C@@H]1c1ccccc1 ZINC000793144686 586011438 /nfs/dbraw/zinc/01/14/38/586011438.db2.gz FOZGMMXANKFVEN-NWANDNLSSA-N 0 0 231.339 3.839 20 30 BHEDRN CC[C@H](C)CON=C[C@@H]1C[C@H]1c1ccccc1 ZINC000793144688 586011506 /nfs/dbraw/zinc/01/15/06/586011506.db2.gz FOZGMMXANKFVEN-QEJZJMRPSA-N 0 0 231.339 3.839 20 30 BHEDRN CC[C@@H](C)CON=Cc1ccc2ccccc2n1 ZINC000793144942 636010735 /nfs/dbraw/zinc/01/07/35/636010735.db2.gz GMKRXNWWLBMYGL-GFCCVEGCSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@H](C)CON=Cc1ccc2ccccc2n1 ZINC000793144946 636010142 /nfs/dbraw/zinc/01/01/42/636010142.db2.gz GMKRXNWWLBMYGL-LBPRGKRZSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1ccc2c(c1)COC2 ZINC000793145013 586011464 /nfs/dbraw/zinc/01/14/64/586011464.db2.gz GYUVBYMBKNVTMD-LLVKDONJSA-N 0 0 247.338 3.504 20 30 BHEDRN CC[C@H](C)CON=C(C)c1ccc2c(c1)COC2 ZINC000793145017 586011472 /nfs/dbraw/zinc/01/14/72/586011472.db2.gz GYUVBYMBKNVTMD-NSHDSACASA-N 0 0 247.338 3.504 20 30 BHEDRN CC[C@H](C)CON=C(C)c1c(C)cc(C)cc1O ZINC000793145149 586011422 /nfs/dbraw/zinc/01/14/22/586011422.db2.gz HSZKEVSSALHXSU-JTQLQIEISA-N 0 0 249.354 3.796 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1c(C)cc(C)cc1O ZINC000793145151 586011526 /nfs/dbraw/zinc/01/15/26/586011526.db2.gz HSZKEVSSALHXSU-SNVBAGLBSA-N 0 0 249.354 3.796 20 30 BHEDRN CC[C@@H](C)CON=Cc1ccnc2ccccc12 ZINC000793145390 586011477 /nfs/dbraw/zinc/01/14/77/586011477.db2.gz JAXWWMUQBWNYEA-GFCCVEGCSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@H](C)CON=Cc1ccnc2ccccc12 ZINC000793145393 586011392 /nfs/dbraw/zinc/01/13/92/586011392.db2.gz JAXWWMUQBWNYEA-LBPRGKRZSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@H](C)CON=C1CCC[C@H]2C[C@@]12C ZINC000793145561 583559419 /nfs/dbraw/zinc/55/94/19/583559419.db2.gz KIMIWKNKDITXNX-GMXVVIOVSA-N 0 0 209.333 3.615 20 30 BHEDRN CC[C@H](C)CON=C1CCC[C@@H]2C[C@]12C ZINC000793145564 583558884 /nfs/dbraw/zinc/55/88/84/583558884.db2.gz KIMIWKNKDITXNX-LOWVWBTDSA-N 0 0 209.333 3.615 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1ccccc1C ZINC000793146013 586011555 /nfs/dbraw/zinc/01/15/55/586011555.db2.gz NWRBGMPSIHFRNV-LLVKDONJSA-N 0 0 219.328 3.782 20 30 BHEDRN CC[C@H](C)CON=C(C)c1ccccc1C ZINC000793146014 586011419 /nfs/dbraw/zinc/01/14/19/586011419.db2.gz NWRBGMPSIHFRNV-NSHDSACASA-N 0 0 219.328 3.782 20 30 BHEDRN CC[C@H](C)CON=C(C)C1CCSCC1 ZINC000793146022 586011502 /nfs/dbraw/zinc/01/15/02/586011502.db2.gz NZQRSNIWFCFDLV-JTQLQIEISA-N 0 0 229.389 3.568 20 30 BHEDRN CC[C@@H](C)CON=C(C)C1CCSCC1 ZINC000793146023 586011543 /nfs/dbraw/zinc/01/15/43/586011543.db2.gz NZQRSNIWFCFDLV-SNVBAGLBSA-N 0 0 229.389 3.568 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1nc(C)sc1C ZINC000793146231 586011420 /nfs/dbraw/zinc/01/14/20/586011420.db2.gz OPYLZRULURLPPG-MRVPVSSYSA-N 0 0 240.372 3.547 20 30 BHEDRN CC[C@H](C)CON=C(C)c1nc(C)sc1C ZINC000793146232 586011362 /nfs/dbraw/zinc/01/13/62/586011362.db2.gz OPYLZRULURLPPG-QMMMGPOBSA-N 0 0 240.372 3.547 20 30 BHEDRN CC[C@H](C)CON=C1CCC(C(F)F)CC1 ZINC000793146249 586011601 /nfs/dbraw/zinc/01/16/01/586011601.db2.gz PEYRCVDELBJEKH-RGURZIINSA-N 0 0 233.302 3.860 20 30 BHEDRN CC[C@@H](C)CON=C1CCC(C(F)F)CC1 ZINC000793146252 586011648 /nfs/dbraw/zinc/01/16/48/586011648.db2.gz PEYRCVDELBJEKH-YHMJZVADSA-N 0 0 233.302 3.860 20 30 BHEDRN CC[C@@H](C)CON=C1CCC2(CC2)CC1 ZINC000793146334 586011704 /nfs/dbraw/zinc/01/17/04/586011704.db2.gz QFOQJISVHTXMFE-LLVKDONJSA-N 0 0 209.333 3.759 20 30 BHEDRN CC[C@H](C)CON=C1CCC2(CC2)CC1 ZINC000793146336 586011643 /nfs/dbraw/zinc/01/16/43/586011643.db2.gz QFOQJISVHTXMFE-NSHDSACASA-N 0 0 209.333 3.759 20 30 BHEDRN CC[C@@H](C)CON=Cc1cc2ccccc2[nH]1 ZINC000793146465 586011672 /nfs/dbraw/zinc/01/16/72/586011672.db2.gz SHJKUBVBZRCFOO-LLVKDONJSA-N 0 0 230.311 3.565 20 30 BHEDRN CC[C@H](C)CON=Cc1cc2ccccc2[nH]1 ZINC000793146466 586011804 /nfs/dbraw/zinc/01/18/04/586011804.db2.gz SHJKUBVBZRCFOO-NSHDSACASA-N 0 0 230.311 3.565 20 30 BHEDRN CC[C@@H](C)CON=Cc1cccc2cccnc12 ZINC000793146682 586011647 /nfs/dbraw/zinc/01/16/47/586011647.db2.gz UJINAFDXOOBPPC-GFCCVEGCSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@H](C)CON=Cc1cccc2cccnc12 ZINC000793146683 586011692 /nfs/dbraw/zinc/01/16/92/586011692.db2.gz UJINAFDXOOBPPC-LBPRGKRZSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@H](C)CON=C1CC[C@@H]1c1ccccc1 ZINC000793146868 586011612 /nfs/dbraw/zinc/01/16/12/586011612.db2.gz VYKOKPLJSKCKHN-GXTWGEPZSA-N 0 0 231.339 3.983 20 30 BHEDRN CC[C@H](C)CON=C1CC[C@H]1c1ccccc1 ZINC000793146869 586011617 /nfs/dbraw/zinc/01/16/17/586011617.db2.gz VYKOKPLJSKCKHN-JSGCOSHPSA-N 0 0 231.339 3.983 20 30 BHEDRN CC[C@@H](C)CON=C1CC[C@H]1c1ccccc1 ZINC000793146871 586011696 /nfs/dbraw/zinc/01/16/96/586011696.db2.gz VYKOKPLJSKCKHN-OCCSQVGLSA-N 0 0 231.339 3.983 20 30 BHEDRN CC[C@@H](C)CON=C1CC[C@@H]1c1ccccc1 ZINC000793146872 586011621 /nfs/dbraw/zinc/01/16/21/586011621.db2.gz VYKOKPLJSKCKHN-TZMCWYRMSA-N 0 0 231.339 3.983 20 30 BHEDRN CC[C@H](C)CON=C(C)Cc1ccsc1 ZINC000793147083 583563496 /nfs/dbraw/zinc/56/34/96/583563496.db2.gz YMFGGLUWNLYKAJ-JTQLQIEISA-N 0 0 225.357 3.729 20 30 BHEDRN CC[C@@H](C)CON=C(C)Cc1ccsc1 ZINC000793147084 583562982 /nfs/dbraw/zinc/56/29/82/583562982.db2.gz YMFGGLUWNLYKAJ-SNVBAGLBSA-N 0 0 225.357 3.729 20 30 BHEDRN CC[C@@H](C)CON=Cc1ccc2[nH]ccc2c1 ZINC000793157733 583569254 /nfs/dbraw/zinc/56/92/54/583569254.db2.gz CLFCPTJCGJNURS-LLVKDONJSA-N 0 0 230.311 3.565 20 30 BHEDRN CC[C@H](C)CON=Cc1ccc2[nH]ccc2c1 ZINC000793157736 583569309 /nfs/dbraw/zinc/56/93/09/583569309.db2.gz CLFCPTJCGJNURS-NSHDSACASA-N 0 0 230.311 3.565 20 30 BHEDRN CC[C@@H](C)CON=C(CC(C)C)c1ccccn1 ZINC000793157762 586011917 /nfs/dbraw/zinc/01/19/17/586011917.db2.gz CPSTVHMGBSOSCI-CYBMUJFWSA-N 0 0 248.370 3.895 20 30 BHEDRN CC[C@H](C)CON=C(CC(C)C)c1ccccn1 ZINC000793157765 586011953 /nfs/dbraw/zinc/01/19/53/586011953.db2.gz CPSTVHMGBSOSCI-ZDUSSCGKSA-N 0 0 248.370 3.895 20 30 BHEDRN CC[C@H](C)CON=C(C)c1ccc(F)cc1 ZINC000793158428 586012014 /nfs/dbraw/zinc/01/20/14/586012014.db2.gz FVHOORBREIEYBW-JTQLQIEISA-N 0 0 223.291 3.612 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1ccc(F)cc1 ZINC000793158429 586011916 /nfs/dbraw/zinc/01/19/16/586011916.db2.gz FVHOORBREIEYBW-SNVBAGLBSA-N 0 0 223.291 3.612 20 30 BHEDRN CC[C@@H](C)CON=C[C@H]1CCOc2ccccc21 ZINC000793158474 583571309 /nfs/dbraw/zinc/57/13/09/583571309.db2.gz HGHKWLAEBQVJLA-CHWSQXEVSA-N 0 0 247.338 3.601 20 30 BHEDRN CC[C@@H](C)CON=C[C@@H]1CCOc2ccccc21 ZINC000793158475 583571300 /nfs/dbraw/zinc/57/13/00/583571300.db2.gz HGHKWLAEBQVJLA-OLZOCXBDSA-N 0 0 247.338 3.601 20 30 BHEDRN CC[C@H](C)CON=C[C@H]1CCOc2ccccc21 ZINC000793158476 583571252 /nfs/dbraw/zinc/57/12/52/583571252.db2.gz HGHKWLAEBQVJLA-QWHCGFSZSA-N 0 0 247.338 3.601 20 30 BHEDRN CC[C@H](C)CON=C[C@@H]1CCOc2ccccc21 ZINC000793158477 583571202 /nfs/dbraw/zinc/57/12/02/583571202.db2.gz HGHKWLAEBQVJLA-STQMWFEESA-N 0 0 247.338 3.601 20 30 BHEDRN CC[C@@H](C)CON=Cc1cncc2ccccc12 ZINC000793158510 583571378 /nfs/dbraw/zinc/57/13/78/583571378.db2.gz IHIDBKJLAKAHPE-GFCCVEGCSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@H](C)CON=Cc1cncc2ccccc12 ZINC000793158514 583571387 /nfs/dbraw/zinc/57/13/87/583571387.db2.gz IHIDBKJLAKAHPE-LBPRGKRZSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1cccs1 ZINC000793158551 583571364 /nfs/dbraw/zinc/57/13/64/583571364.db2.gz IQSSTVDSAQZWIR-SECBINFHSA-N 0 0 211.330 3.535 20 30 BHEDRN CC[C@H](C)CON=C(C)c1cccs1 ZINC000793158553 583571163 /nfs/dbraw/zinc/57/11/63/583571163.db2.gz IQSSTVDSAQZWIR-VIFPVBQESA-N 0 0 211.330 3.535 20 30 BHEDRN CC[C@@H](C)CON=C1CSCc2ccccc21 ZINC000793158737 586012147 /nfs/dbraw/zinc/01/21/47/586012147.db2.gz KIUPHJDJIWLGPJ-LLVKDONJSA-N 0 0 249.379 3.700 20 30 BHEDRN CC[C@H](C)CON=C1CSCc2ccccc21 ZINC000793158741 586012040 /nfs/dbraw/zinc/01/20/40/586012040.db2.gz KIUPHJDJIWLGPJ-NSHDSACASA-N 0 0 249.379 3.700 20 30 BHEDRN CC[C@@H](C)CON=C1CCC[C@@H]1c1ccccn1 ZINC000793159064 586012229 /nfs/dbraw/zinc/01/22/29/586012229.db2.gz KTNATEIYAXBTMR-CHWSQXEVSA-N 0 0 246.354 3.768 20 30 BHEDRN CC[C@@H](C)CON=C1CCC[C@H]1c1ccccn1 ZINC000793159066 583572340 /nfs/dbraw/zinc/57/23/40/583572340.db2.gz KTNATEIYAXBTMR-OLZOCXBDSA-N 0 0 246.354 3.768 20 30 BHEDRN CC[C@H](C)CON=C1CCC[C@@H]1c1ccccn1 ZINC000793159068 583572188 /nfs/dbraw/zinc/57/21/88/583572188.db2.gz KTNATEIYAXBTMR-QWHCGFSZSA-N 0 0 246.354 3.768 20 30 BHEDRN CC[C@H](C)CON=C1CCC[C@H]1c1ccccn1 ZINC000793159070 583572493 /nfs/dbraw/zinc/57/24/93/583572493.db2.gz KTNATEIYAXBTMR-STQMWFEESA-N 0 0 246.354 3.768 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1ccc(Cl)cn1 ZINC000793159093 583572737 /nfs/dbraw/zinc/57/27/37/583572737.db2.gz KTWKXOUREHDUSP-SECBINFHSA-N 0 0 240.734 3.522 20 30 BHEDRN CC[C@H](C)CON=C(C)c1ccc(Cl)cn1 ZINC000793159099 583572669 /nfs/dbraw/zinc/57/26/69/583572669.db2.gz KTWKXOUREHDUSP-VIFPVBQESA-N 0 0 240.734 3.522 20 30 BHEDRN CC[C@H](C)CON=C(C)Cc1cccs1 ZINC000793159108 583572732 /nfs/dbraw/zinc/57/27/32/583572732.db2.gz KXPLBUJYKHZDHY-JTQLQIEISA-N 0 0 225.357 3.729 20 30 BHEDRN CC[C@@H](C)CON=C(C)Cc1cccs1 ZINC000793159110 583572671 /nfs/dbraw/zinc/57/26/71/583572671.db2.gz KXPLBUJYKHZDHY-SNVBAGLBSA-N 0 0 225.357 3.729 20 30 BHEDRN CC[C@H](C)CON=C1CCC2(CCCO2)CC1 ZINC000793159270 586011797 /nfs/dbraw/zinc/01/17/97/586011797.db2.gz MMXXFZKNQPHWML-NBFOIZRFSA-N 0 0 239.359 3.528 20 30 BHEDRN CC[C@@H](C)CON=C1CCC2(CCCO2)CC1 ZINC000793159293 586011602 /nfs/dbraw/zinc/01/16/02/586011602.db2.gz MMXXFZKNQPHWML-PUODRLBUSA-N 0 0 239.359 3.528 20 30 BHEDRN CC[C@@H](C)CO[NH+]=C1CCCNc2ccccc21 ZINC000793159296 583572421 /nfs/dbraw/zinc/57/24/21/583572421.db2.gz MPHQBLXHSJAXGI-GFCCVEGCSA-N 0 0 246.354 3.659 20 30 BHEDRN CC[C@H](C)CON=C(C)c1ccccc1F ZINC000793159304 636021250 /nfs/dbraw/zinc/02/12/50/636021250.db2.gz MUNDKMKOFRSGTP-JTQLQIEISA-N 0 0 223.291 3.612 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1ccccc1F ZINC000793159305 636020867 /nfs/dbraw/zinc/02/08/67/636020867.db2.gz MUNDKMKOFRSGTP-SNVBAGLBSA-N 0 0 223.291 3.612 20 30 BHEDRN CCc1ccc(C(C)=NOC[C@@H](C)CC)o1 ZINC000793159314 586012117 /nfs/dbraw/zinc/01/21/17/586012117.db2.gz NADDNQAQEGFDPP-JTQLQIEISA-N 0 0 223.316 3.629 20 30 BHEDRN CCc1ccc(C(C)=NOC[C@H](C)CC)o1 ZINC000793159315 586012250 /nfs/dbraw/zinc/01/22/50/586012250.db2.gz NADDNQAQEGFDPP-SNVBAGLBSA-N 0 0 223.316 3.629 20 30 BHEDRN CCC(=NOC[C@H](C)CC)c1ccc(C#N)cc1 ZINC000793159397 586012074 /nfs/dbraw/zinc/01/20/74/586012074.db2.gz OPTXBXVNCZBRRZ-GFCCVEGCSA-N 0 0 244.338 3.735 20 30 BHEDRN CCC(=NOC[C@@H](C)CC)c1ccc(C#N)cc1 ZINC000793159399 586012146 /nfs/dbraw/zinc/01/21/46/586012146.db2.gz OPTXBXVNCZBRRZ-LBPRGKRZSA-N 0 0 244.338 3.735 20 30 BHEDRN CC[C@H](C)CON=Cc1cnc(C(C)C)s1 ZINC000793159428 586012139 /nfs/dbraw/zinc/01/21/39/586012139.db2.gz OWSGAPMKYSEYIK-JTQLQIEISA-N 0 0 240.372 3.663 20 30 BHEDRN CC[C@@H](C)CON=Cc1cnc(C(C)C)s1 ZINC000793159429 586012113 /nfs/dbraw/zinc/01/21/13/586012113.db2.gz OWSGAPMKYSEYIK-SNVBAGLBSA-N 0 0 240.372 3.663 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1sccc1OC ZINC000793159623 586012215 /nfs/dbraw/zinc/01/22/15/586012215.db2.gz PQGGDQNEGLYXGJ-SECBINFHSA-N 0 0 241.356 3.543 20 30 BHEDRN CC[C@H](C)CON=C(C)c1sccc1OC ZINC000793159627 586012144 /nfs/dbraw/zinc/01/21/44/586012144.db2.gz PQGGDQNEGLYXGJ-VIFPVBQESA-N 0 0 241.356 3.543 20 30 BHEDRN CC[C@@H](C)CON=CCCc1ccccc1 ZINC000793159664 586011697 /nfs/dbraw/zinc/01/16/97/586011697.db2.gz QGTOHTJJFNJGHR-CYBMUJFWSA-N 0 0 219.328 3.668 20 30 BHEDRN CC[C@H](C)CON=CCCc1ccccc1 ZINC000793159665 586011744 /nfs/dbraw/zinc/01/17/44/586011744.db2.gz QGTOHTJJFNJGHR-ZDUSSCGKSA-N 0 0 219.328 3.668 20 30 BHEDRN CC[C@@H](C)CON=Cc1cccc2cnccc12 ZINC000793159754 586012055 /nfs/dbraw/zinc/01/20/55/586012055.db2.gz RGPJDNWRAKOSMH-GFCCVEGCSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@H](C)CON=Cc1cccc2cnccc12 ZINC000793159755 586012043 /nfs/dbraw/zinc/01/20/43/586012043.db2.gz RGPJDNWRAKOSMH-LBPRGKRZSA-N 0 0 242.322 3.631 20 30 BHEDRN C=C(C)CCOC(=O)c1occc1C(C)C ZINC000793160078 586012195 /nfs/dbraw/zinc/01/21/95/586012195.db2.gz GGJOJNQKZNTSEW-UHFFFAOYSA-N 0 0 222.284 3.526 20 30 BHEDRN CC[C@@H](C)CON=C(C)[C@H](OC)c1ccccc1 ZINC000793160463 586012086 /nfs/dbraw/zinc/01/20/86/586012086.db2.gz UVUAAMYLCRCGGR-DOMZBBRYSA-N 0 0 249.354 3.813 20 30 BHEDRN CC[C@@H](C)CON=C(C)[C@@H](OC)c1ccccc1 ZINC000793160465 586012179 /nfs/dbraw/zinc/01/21/79/586012179.db2.gz UVUAAMYLCRCGGR-IUODEOHRSA-N 0 0 249.354 3.813 20 30 BHEDRN CC[C@H](C)CON=C(C)[C@@H](OC)c1ccccc1 ZINC000793160468 586012199 /nfs/dbraw/zinc/01/21/99/586012199.db2.gz UVUAAMYLCRCGGR-SWLSCSKDSA-N 0 0 249.354 3.813 20 30 BHEDRN CC[C@H](C)CON=C(C)[C@H](OC)c1ccccc1 ZINC000793160469 586012125 /nfs/dbraw/zinc/01/21/25/586012125.db2.gz UVUAAMYLCRCGGR-WFASDCNBSA-N 0 0 249.354 3.813 20 30 BHEDRN CC[C@H](C)CON=C[C@@H](C)Cc1ccccc1 ZINC000793160507 586012219 /nfs/dbraw/zinc/01/22/19/586012219.db2.gz VCWXJGWFMKSFIE-KBPBESRZSA-N 0 0 233.355 3.914 20 30 BHEDRN CC[C@@H]1CCCC1N=Nc1cccc(Cl)n1 ZINC000793160516 586012118 /nfs/dbraw/zinc/01/21/18/586012118.db2.gz BQVKSJJOQALAFA-SECBINFHSA-N 0 0 237.734 3.713 20 30 BHEDRN CC[C@@H](C)CON=C[C@@H](C)Cc1ccccc1 ZINC000793160518 586012249 /nfs/dbraw/zinc/01/22/49/586012249.db2.gz VCWXJGWFMKSFIE-KGLIPLIRSA-N 0 0 233.355 3.914 20 30 BHEDRN CC[C@H](C)CON=C[C@H](C)Cc1ccccc1 ZINC000793160521 586012059 /nfs/dbraw/zinc/01/20/59/586012059.db2.gz VCWXJGWFMKSFIE-UONOGXRCSA-N 0 0 233.355 3.914 20 30 BHEDRN CC[C@@H](C)CON=C[C@H](C)Cc1ccccc1 ZINC000793160522 586012162 /nfs/dbraw/zinc/01/21/62/586012162.db2.gz VCWXJGWFMKSFIE-ZIAGYGMSSA-N 0 0 233.355 3.914 20 30 BHEDRN CC[C@H]1CCCC1N=Nc1cccc(Cl)n1 ZINC000793160530 586012178 /nfs/dbraw/zinc/01/21/78/586012178.db2.gz BQVKSJJOQALAFA-VIFPVBQESA-N 0 0 237.734 3.713 20 30 BHEDRN C=CCCC(CC)N=Nc1cccc(Cl)n1 ZINC000793160679 586012204 /nfs/dbraw/zinc/01/22/04/586012204.db2.gz CLYBWFXCTPLBLR-UHFFFAOYSA-N 0 0 237.734 3.879 20 30 BHEDRN Clc1cccc(N=NC2CCC3(CC3)CC2)n1 ZINC000793160795 586012122 /nfs/dbraw/zinc/01/21/22/586012122.db2.gz DUMKUZVRJSZDSU-UHFFFAOYSA-N 0 0 249.745 3.857 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1ccsc1 ZINC000793160914 586011969 /nfs/dbraw/zinc/01/19/69/586011969.db2.gz XTYLUDIQXRSVCC-SECBINFHSA-N 0 0 211.330 3.535 20 30 BHEDRN CC[C@H](C)CON=C(C)c1ccsc1 ZINC000793160915 586011812 /nfs/dbraw/zinc/01/18/12/586011812.db2.gz XTYLUDIQXRSVCC-VIFPVBQESA-N 0 0 211.330 3.535 20 30 BHEDRN CC[C@@H](C)CON=CC1=Cc2ccccc2OC1 ZINC000793160984 583572949 /nfs/dbraw/zinc/57/29/49/583572949.db2.gz YSZBPXUJUMCAJW-GFCCVEGCSA-N 0 0 245.322 3.511 20 30 BHEDRN CC[C@H](C)CON=CC1=Cc2ccccc2OC1 ZINC000793160985 636022307 /nfs/dbraw/zinc/02/23/07/636022307.db2.gz YSZBPXUJUMCAJW-LBPRGKRZSA-N 0 0 245.322 3.511 20 30 BHEDRN CC(C)(C)CCN=Nc1cccc(Cl)n1 ZINC000793160993 586012304 /nfs/dbraw/zinc/01/23/04/586012304.db2.gz GQPIEYOISFXANA-UHFFFAOYSA-N 0 0 225.723 3.569 20 30 BHEDRN CC[C@@H](C)CON=C1CCC12CCCC2 ZINC000793161024 586012350 /nfs/dbraw/zinc/01/23/50/586012350.db2.gz ZILZTHAMQFISKM-LLVKDONJSA-N 0 0 209.333 3.759 20 30 BHEDRN CC[C@H](C)CON=C1CCC12CCCC2 ZINC000793161026 586012359 /nfs/dbraw/zinc/01/23/59/586012359.db2.gz ZILZTHAMQFISKM-NSHDSACASA-N 0 0 209.333 3.759 20 30 BHEDRN C[C@]12C[C@H]1CCCC2N=Nc1cccc(Cl)n1 ZINC000793161166 586012357 /nfs/dbraw/zinc/01/23/57/586012357.db2.gz ILIRGCPTTZISOH-RNCFNFMXSA-N 0 0 249.745 3.713 20 30 BHEDRN C[C@@]12C[C@@H]1CCCC2N=Nc1cccc(Cl)n1 ZINC000793161169 586012278 /nfs/dbraw/zinc/01/22/78/586012278.db2.gz ILIRGCPTTZISOH-TVQRCGJNSA-N 0 0 249.745 3.713 20 30 BHEDRN CCC[C@@H](C)CN=Nc1cccc(Cl)n1 ZINC000793161273 586012396 /nfs/dbraw/zinc/01/23/96/586012396.db2.gz JSVBFVUIJWGXDB-SECBINFHSA-N 0 0 225.723 3.569 20 30 BHEDRN CCC[C@H](C)CN=Nc1cccc(Cl)n1 ZINC000793161275 586012385 /nfs/dbraw/zinc/01/23/85/586012385.db2.gz JSVBFVUIJWGXDB-VIFPVBQESA-N 0 0 225.723 3.569 20 30 BHEDRN CC(N=Nc1cccc(Cl)n1)C1CCCC1 ZINC000793161281 586012297 /nfs/dbraw/zinc/01/22/97/586012297.db2.gz JXFDUOVTTDBHET-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN CC(CCC1CC1)N=Nc1cccc(Cl)n1 ZINC000793162121 586012488 /nfs/dbraw/zinc/01/24/88/586012488.db2.gz QMZUHPDJFJEDBN-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN CC(N=Nc1cccc(Cl)n1)c1ccccc1 ZINC000793162462 586012451 /nfs/dbraw/zinc/01/24/51/586012451.db2.gz SLRGRJQGTIUJKM-UHFFFAOYSA-N 0 0 245.713 3.571 20 30 BHEDRN CC[C@@H](C)CON=Cc1c[nH]c2ccccc12 ZINC000793162682 586012402 /nfs/dbraw/zinc/01/24/02/586012402.db2.gz BNGUZGYFNAHWAG-LLVKDONJSA-N 0 0 230.311 3.565 20 30 BHEDRN CC[C@H](C)CON=Cc1c[nH]c2ccccc12 ZINC000793162687 586012416 /nfs/dbraw/zinc/01/24/16/586012416.db2.gz BNGUZGYFNAHWAG-NSHDSACASA-N 0 0 230.311 3.565 20 30 BHEDRN CC[C@H](C)CON=C[C@H]1CCc2ccccc21 ZINC000793162736 586012286 /nfs/dbraw/zinc/01/22/86/586012286.db2.gz BWRQKVWPLGYFRB-GXTWGEPZSA-N 0 0 231.339 3.765 20 30 BHEDRN CC[C@H](C)CON=C[C@@H]1CCc2ccccc21 ZINC000793162742 586012436 /nfs/dbraw/zinc/01/24/36/586012436.db2.gz BWRQKVWPLGYFRB-JSGCOSHPSA-N 0 0 231.339 3.765 20 30 BHEDRN CC[C@@H](C)CON=C[C@@H]1CCc2ccccc21 ZINC000793162747 586012467 /nfs/dbraw/zinc/01/24/67/586012467.db2.gz BWRQKVWPLGYFRB-OCCSQVGLSA-N 0 0 231.339 3.765 20 30 BHEDRN CC[C@@H](C)CON=C[C@H]1CCc2ccccc21 ZINC000793162752 586012377 /nfs/dbraw/zinc/01/23/77/586012377.db2.gz BWRQKVWPLGYFRB-TZMCWYRMSA-N 0 0 231.339 3.765 20 30 BHEDRN CC[C@@H](C)CON=C1CCC[C@H]1CCCF ZINC000793162914 636022203 /nfs/dbraw/zinc/02/22/03/636022203.db2.gz CZGVIUAXLZPOGZ-NEPJUHHUSA-N 0 0 229.339 3.955 20 30 BHEDRN CC[C@H](C)CON=C1CCC[C@@H]1CCCF ZINC000793162920 636022651 /nfs/dbraw/zinc/02/26/51/636022651.db2.gz CZGVIUAXLZPOGZ-NWDGAFQWSA-N 0 0 229.339 3.955 20 30 BHEDRN CC[C@H](C)CON=C1CCC[C@H]1CCCF ZINC000793162922 636021902 /nfs/dbraw/zinc/02/19/02/636021902.db2.gz CZGVIUAXLZPOGZ-RYUDHWBXSA-N 0 0 229.339 3.955 20 30 BHEDRN CC[C@@H](C)CON=C1CCC[C@@H]1CCCF ZINC000793162925 636021828 /nfs/dbraw/zinc/02/18/28/636021828.db2.gz CZGVIUAXLZPOGZ-VXGBXAGGSA-N 0 0 229.339 3.955 20 30 BHEDRN CC[C@H](C)CON=C(C)CSC(C)(C)C ZINC000793163127 586012275 /nfs/dbraw/zinc/01/22/75/586012275.db2.gz GBPLVUFZHMGYLJ-JTQLQIEISA-N 0 0 231.405 3.957 20 30 BHEDRN CC[C@@H](C)CON=C(C)CSC(C)(C)C ZINC000793163128 586012344 /nfs/dbraw/zinc/01/23/44/586012344.db2.gz GBPLVUFZHMGYLJ-SNVBAGLBSA-N 0 0 231.405 3.957 20 30 BHEDRN CC[C@@H](C)CON=CCc1cccc(Cl)c1 ZINC000793163131 586012481 /nfs/dbraw/zinc/01/24/81/586012481.db2.gz GCQSFKMVFUFVLB-LLVKDONJSA-N 0 0 239.746 3.931 20 30 BHEDRN CC[C@H](C)CON=CCc1cccc(Cl)c1 ZINC000793163132 586012334 /nfs/dbraw/zinc/01/23/34/586012334.db2.gz GCQSFKMVFUFVLB-NSHDSACASA-N 0 0 239.746 3.931 20 30 BHEDRN CC1(C)CCC(N=Nc2cccc(Cl)n2)C1 ZINC000793163153 586012353 /nfs/dbraw/zinc/01/23/53/586012353.db2.gz XYPHDAIAHZGFOG-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN Clc1cccc(N=NCC2CCCCC2)n1 ZINC000793163225 586012373 /nfs/dbraw/zinc/01/23/73/586012373.db2.gz ZTZFJVIRINQDPN-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN CC[C@@H](C)CON=C[C@@H](C)c1ccccc1 ZINC000793163234 586012431 /nfs/dbraw/zinc/01/24/31/586012431.db2.gz HNZJDOIFQWOUDK-CHWSQXEVSA-N 0 0 219.328 3.839 20 30 BHEDRN CC[C@@H](C)CON=C[C@H](C)c1ccccc1 ZINC000793163235 586012374 /nfs/dbraw/zinc/01/23/74/586012374.db2.gz HNZJDOIFQWOUDK-OLZOCXBDSA-N 0 0 219.328 3.839 20 30 BHEDRN CC[C@H](C)CON=C[C@@H](C)c1ccccc1 ZINC000793163236 586012299 /nfs/dbraw/zinc/01/22/99/586012299.db2.gz HNZJDOIFQWOUDK-QWHCGFSZSA-N 0 0 219.328 3.839 20 30 BHEDRN CC[C@H](C)CON=C[C@H](C)c1ccccc1 ZINC000793163237 586012387 /nfs/dbraw/zinc/01/23/87/586012387.db2.gz HNZJDOIFQWOUDK-STQMWFEESA-N 0 0 219.328 3.839 20 30 BHEDRN CC[C@@H](C)CON=C[C@H](C)c1ccc(F)cc1 ZINC000793163284 586012401 /nfs/dbraw/zinc/01/24/01/586012401.db2.gz IFUVQQNZANVDFV-NEPJUHHUSA-N 0 0 237.318 3.978 20 30 BHEDRN CC[C@H](C)CON=C[C@@H](C)c1ccc(F)cc1 ZINC000793163286 586012370 /nfs/dbraw/zinc/01/23/70/586012370.db2.gz IFUVQQNZANVDFV-NWDGAFQWSA-N 0 0 237.318 3.978 20 30 BHEDRN CC[C@H](C)CON=C[C@H](C)c1ccc(F)cc1 ZINC000793163288 586012424 /nfs/dbraw/zinc/01/24/24/586012424.db2.gz IFUVQQNZANVDFV-RYUDHWBXSA-N 0 0 237.318 3.978 20 30 BHEDRN CC[C@@H](C)CON=C[C@@H](C)c1ccc(F)cc1 ZINC000793163289 586012372 /nfs/dbraw/zinc/01/23/72/586012372.db2.gz IFUVQQNZANVDFV-VXGBXAGGSA-N 0 0 237.318 3.978 20 30 BHEDRN CC[C@H](C)CON=C(C)c1cccc(F)c1 ZINC000793163308 636023377 /nfs/dbraw/zinc/02/33/77/636023377.db2.gz ILSNZKJQBONFJW-JTQLQIEISA-N 0 0 223.291 3.612 20 30 BHEDRN CC[C@@H](C)CON=C(C)c1cccc(F)c1 ZINC000793163310 636023649 /nfs/dbraw/zinc/02/36/49/636023649.db2.gz ILSNZKJQBONFJW-SNVBAGLBSA-N 0 0 223.291 3.612 20 30 BHEDRN CC[C@@H](C)CON=Cc1cccc2[nH]ccc21 ZINC000793163320 586012305 /nfs/dbraw/zinc/01/23/05/586012305.db2.gz IVXZZTNPZVAYAX-LLVKDONJSA-N 0 0 230.311 3.565 20 30 BHEDRN CC[C@H](C)CON=Cc1cccc2[nH]ccc21 ZINC000793163322 586012426 /nfs/dbraw/zinc/01/24/26/586012426.db2.gz IVXZZTNPZVAYAX-NSHDSACASA-N 0 0 230.311 3.565 20 30 BHEDRN CC[C@@H](C)C(C)N=Nc1cccc(Cl)n1 ZINC000793163341 586012283 /nfs/dbraw/zinc/01/22/83/586012283.db2.gz IZIPICZGTGCQDE-MRVPVSSYSA-N 0 0 225.723 3.569 20 30 BHEDRN CC[C@H](C)C(C)N=Nc1cccc(Cl)n1 ZINC000793163342 586012273 /nfs/dbraw/zinc/01/22/73/586012273.db2.gz IZIPICZGTGCQDE-QMMMGPOBSA-N 0 0 225.723 3.569 20 30 BHEDRN C=CCCC(=NOC[C@H](C)CC)C1CC1 ZINC000793163433 586012284 /nfs/dbraw/zinc/01/22/84/586012284.db2.gz KKXXKPDZSIXIPX-LLVKDONJSA-N 0 0 209.333 3.781 20 30 BHEDRN C=CCCC(=NOC[C@@H](C)CC)C1CC1 ZINC000793163434 586011814 /nfs/dbraw/zinc/01/18/14/586011814.db2.gz KKXXKPDZSIXIPX-NSHDSACASA-N 0 0 209.333 3.781 20 30 BHEDRN CC1C=C(N=Nc2cccc(Cl)n2)CCC1 ZINC000793163455 586012577 /nfs/dbraw/zinc/01/25/77/586012577.db2.gz LGOORAUHGINQMI-UHFFFAOYSA-N 0 0 235.718 3.633 20 30 BHEDRN CC[C@@H](C)CON=Cc1nccc2ccccc21 ZINC000793163589 586012505 /nfs/dbraw/zinc/01/25/05/586012505.db2.gz LTZANBKXSMCTGZ-GFCCVEGCSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@H](C)CON=Cc1nccc2ccccc21 ZINC000793163591 586012580 /nfs/dbraw/zinc/01/25/80/586012580.db2.gz LTZANBKXSMCTGZ-LBPRGKRZSA-N 0 0 242.322 3.631 20 30 BHEDRN CC1CCC(N=Nc2cccc(Cl)n2)CC1 ZINC000793163747 586012658 /nfs/dbraw/zinc/01/26/58/586012658.db2.gz MTDURPYYZPARPR-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN C[C@@H]1CC[C@@H](CN=Nc2cccc(Cl)n2)C1 ZINC000793164022 636023724 /nfs/dbraw/zinc/02/37/24/636023724.db2.gz PWDYJNSHXRTOBQ-NXEZZACHSA-N 0 0 237.734 3.569 20 30 BHEDRN C[C@H]1CC[C@H](CN=Nc2cccc(Cl)n2)C1 ZINC000793164023 583573006 /nfs/dbraw/zinc/57/30/06/583573006.db2.gz PWDYJNSHXRTOBQ-UWVGGRQHSA-N 0 0 237.734 3.569 20 30 BHEDRN C[C@H]1CC[C@@H](CN=Nc2cccc(Cl)n2)C1 ZINC000793164024 583573136 /nfs/dbraw/zinc/57/31/36/583573136.db2.gz PWDYJNSHXRTOBQ-VHSXEESVSA-N 0 0 237.734 3.569 20 30 BHEDRN C[C@@H]1CC[C@H](CN=Nc2cccc(Cl)n2)C1 ZINC000793164025 583573047 /nfs/dbraw/zinc/57/30/47/583573047.db2.gz PWDYJNSHXRTOBQ-ZJUUUORDSA-N 0 0 237.734 3.569 20 30 BHEDRN CC[C@@H](C)CON=C(C)CCc1ccco1 ZINC000793164061 583573008 /nfs/dbraw/zinc/57/30/08/583573008.db2.gz REIWTNQWRINFAZ-LLVKDONJSA-N 0 0 223.316 3.651 20 30 BHEDRN CC[C@H](C)CON=C(C)CCc1ccco1 ZINC000793164062 583573210 /nfs/dbraw/zinc/57/32/10/583573210.db2.gz REIWTNQWRINFAZ-NSHDSACASA-N 0 0 223.316 3.651 20 30 BHEDRN CC[C@@H](C)CON=Cc1ccc2cnccc2c1 ZINC000793164608 583573097 /nfs/dbraw/zinc/57/30/97/583573097.db2.gz WIDVASQFDHXJBE-GFCCVEGCSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@H](C)CON=Cc1ccc2cnccc2c1 ZINC000793164615 583573162 /nfs/dbraw/zinc/57/31/62/583573162.db2.gz WIDVASQFDHXJBE-LBPRGKRZSA-N 0 0 242.322 3.631 20 30 BHEDRN CC[C@@H](C)CON=C(C)CCC(F)(F)F ZINC000793164702 586012583 /nfs/dbraw/zinc/01/25/83/586012583.db2.gz XEMAZCNHHRSPFW-MRVPVSSYSA-N 0 0 225.254 3.768 20 30 BHEDRN CC[C@H](C)CON=C(C)CCC(F)(F)F ZINC000793164704 586012590 /nfs/dbraw/zinc/01/25/90/586012590.db2.gz XEMAZCNHHRSPFW-QMMMGPOBSA-N 0 0 225.254 3.768 20 30 BHEDRN CC[C@@H](C)CON=C(C)CCc1ccc(O)cc1 ZINC000793164744 583572995 /nfs/dbraw/zinc/57/29/95/583572995.db2.gz XUHNOMTZPSOYNX-GFCCVEGCSA-N 0 0 249.354 3.763 20 30 BHEDRN CC[C@H](C)CON=C(C)CCc1ccc(O)cc1 ZINC000793164745 583573043 /nfs/dbraw/zinc/57/30/43/583573043.db2.gz XUHNOMTZPSOYNX-LBPRGKRZSA-N 0 0 249.354 3.763 20 30 BHEDRN CC[C@@H](C)CON=C1CCC[C@@H]1CCF ZINC000793164765 586012627 /nfs/dbraw/zinc/01/26/27/586012627.db2.gz YIKNEBNRCSICMC-GHMZBOCLSA-N 0 0 215.312 3.565 20 30 BHEDRN CC[C@@H](C)CON=C1CCC[C@H]1CCF ZINC000793164766 586012712 /nfs/dbraw/zinc/01/27/12/586012712.db2.gz YIKNEBNRCSICMC-MNOVXSKESA-N 0 0 215.312 3.565 20 30 BHEDRN CC[C@H](C)CON=C1CCC[C@H]1CCF ZINC000793164767 586012589 /nfs/dbraw/zinc/01/25/89/586012589.db2.gz YIKNEBNRCSICMC-QWRGUYRKSA-N 0 0 215.312 3.565 20 30 BHEDRN CC[C@H](C)CON=C1CCC[C@@H]1CCF ZINC000793164768 586012591 /nfs/dbraw/zinc/01/25/91/586012591.db2.gz YIKNEBNRCSICMC-WDEREUQCSA-N 0 0 215.312 3.565 20 30 BHEDRN CCCCC(C)N=Nc1cccc(Cl)n1 ZINC000793173582 586012807 /nfs/dbraw/zinc/01/28/07/586012807.db2.gz AYJQSXYLQZJLMN-UHFFFAOYSA-N 0 0 225.723 3.713 20 30 BHEDRN CC(CC1CCC1)N=Nc1cccc(Cl)n1 ZINC000793173597 586012753 /nfs/dbraw/zinc/01/27/53/586012753.db2.gz BLOUNOXCQYPZFB-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN CCC(CC)CN=Nc1cccc(Cl)n1 ZINC000793174043 586012903 /nfs/dbraw/zinc/01/29/03/586012903.db2.gz HMZDUNLOSRYPSC-UHFFFAOYSA-N 0 0 225.723 3.569 20 30 BHEDRN C=CC[C@@H](C)C(C)N=Nc1cccc(Cl)n1 ZINC000793174089 586012784 /nfs/dbraw/zinc/01/27/84/586012784.db2.gz IDXONNKRCDNPQN-SECBINFHSA-N 0 0 237.734 3.735 20 30 BHEDRN C=CC[C@H](C)C(C)N=Nc1cccc(Cl)n1 ZINC000793174090 586012783 /nfs/dbraw/zinc/01/27/83/586012783.db2.gz IDXONNKRCDNPQN-VIFPVBQESA-N 0 0 237.734 3.735 20 30 BHEDRN CCCC(CC)N=Nc1cccc(Cl)n1 ZINC000793174145 586012774 /nfs/dbraw/zinc/01/27/74/586012774.db2.gz IWLMZIBBHCJONL-UHFFFAOYSA-N 0 0 225.723 3.713 20 30 BHEDRN CC1(C)CCCC1N=Nc1cccc(Cl)n1 ZINC000793174874 586013139 /nfs/dbraw/zinc/01/31/39/586013139.db2.gz NMIDXVQLTXOXKR-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN C[C@@H]1CCCCC1N=Nc1cccc(Cl)n1 ZINC000793174968 586013015 /nfs/dbraw/zinc/01/30/15/586013015.db2.gz OYMSSFWVGMMJAO-SECBINFHSA-N 0 0 237.734 3.713 20 30 BHEDRN C[C@H]1CCCCC1N=Nc1cccc(Cl)n1 ZINC000793174969 586013076 /nfs/dbraw/zinc/01/30/76/586013076.db2.gz OYMSSFWVGMMJAO-VIFPVBQESA-N 0 0 237.734 3.713 20 30 BHEDRN Clc1cccc(N=NC2CCC23CCCC3)n1 ZINC000793174974 586013056 /nfs/dbraw/zinc/01/30/56/586013056.db2.gz PGTHLMLHZHLRGO-UHFFFAOYSA-N 0 0 249.745 3.857 20 30 BHEDRN Clc1cccc(N=NC2CCCCCC2)n1 ZINC000793175158 586013126 /nfs/dbraw/zinc/01/31/26/586013126.db2.gz OZXGDLOMUBKTPE-UHFFFAOYSA-N 0 0 237.734 3.857 20 30 BHEDRN CC(C)C(N=Nc1cccc(Cl)n1)C1CC1 ZINC000793175175 586013069 /nfs/dbraw/zinc/01/30/69/586013069.db2.gz QAFKNRCWYYYQCR-UHFFFAOYSA-N 0 0 237.734 3.569 20 30 BHEDRN CCC(N=Nc1cccc(Cl)n1)C(C)C ZINC000793175862 586012984 /nfs/dbraw/zinc/01/29/84/586012984.db2.gz WTQVYLHESLEAHC-UHFFFAOYSA-N 0 0 225.723 3.569 20 30 BHEDRN CC(C)CCC(C)N=Nc1cccc(Cl)n1 ZINC000793180849 586013206 /nfs/dbraw/zinc/01/32/06/586013206.db2.gz BSFQJUGEZYYPEY-UHFFFAOYSA-N 0 0 239.750 3.959 20 30 BHEDRN CC(C)C[C@H](C)CN=Nc1cccc(Cl)n1 ZINC000793180878 586013265 /nfs/dbraw/zinc/01/32/65/586013265.db2.gz CVIRFIQBBNVJMU-JTQLQIEISA-N 0 0 239.750 3.815 20 30 BHEDRN CC(C)C[C@@H](C)CN=Nc1cccc(Cl)n1 ZINC000793180879 586013304 /nfs/dbraw/zinc/01/33/04/586013304.db2.gz CVIRFIQBBNVJMU-SNVBAGLBSA-N 0 0 239.750 3.815 20 30 BHEDRN CCCCCCN=Nc1cccc(Cl)n1 ZINC000793181064 586013322 /nfs/dbraw/zinc/01/33/22/586013322.db2.gz IBVZCLGSRWAYJC-UHFFFAOYSA-N 0 0 225.723 3.713 20 30 BHEDRN C=CCCC(N=Nc1cccc(Cl)n1)C1CC1 ZINC000793181598 586013315 /nfs/dbraw/zinc/01/33/15/586013315.db2.gz UWBYSRMFCQJWEY-UHFFFAOYSA-N 0 0 249.745 3.879 20 30 BHEDRN C[C@H](CN=Nc1cccc(Cl)n1)C(C)(C)C ZINC000793181653 586013273 /nfs/dbraw/zinc/01/32/73/586013273.db2.gz WOWBJUKZYIZEOR-SECBINFHSA-N 0 0 239.750 3.815 20 30 BHEDRN C[C@@H](CN=Nc1cccc(Cl)n1)C(C)(C)C ZINC000793181654 586013319 /nfs/dbraw/zinc/01/33/19/586013319.db2.gz WOWBJUKZYIZEOR-VIFPVBQESA-N 0 0 239.750 3.815 20 30 BHEDRN C[C@@H]1CCCC(N=Nc2cccc(Cl)n2)C1 ZINC000793181716 586013167 /nfs/dbraw/zinc/01/31/67/586013167.db2.gz ZFQXACJRBZHCMP-SECBINFHSA-N 0 0 237.734 3.713 20 30 BHEDRN C[C@H]1CCCC(N=Nc2cccc(Cl)n2)C1 ZINC000793181717 586013204 /nfs/dbraw/zinc/01/32/04/586013204.db2.gz ZFQXACJRBZHCMP-VIFPVBQESA-N 0 0 237.734 3.713 20 30 BHEDRN C=C[C@@H](CC)OC(=O)c1occc1C(C)C ZINC000793185135 586013563 /nfs/dbraw/zinc/01/35/63/586013563.db2.gz IGASKVDLDNFLDF-JTQLQIEISA-N 0 0 222.284 3.524 20 30 BHEDRN C=C[C@H](CC)OC(=O)c1occc1C(C)C ZINC000793185138 586013538 /nfs/dbraw/zinc/01/35/38/586013538.db2.gz IGASKVDLDNFLDF-SNVBAGLBSA-N 0 0 222.284 3.524 20 30 BHEDRN C#CCC(C)(C)COC(=O)c1occc1C(C)C ZINC000793191373 586013628 /nfs/dbraw/zinc/01/36/28/586013628.db2.gz RBAMOHMQPHBFNI-UHFFFAOYSA-N 0 0 248.322 3.609 20 30 BHEDRN C=C(C)[C@H](C)OC(=O)c1occc1C(C)C ZINC000793205150 586013998 /nfs/dbraw/zinc/01/39/98/586013998.db2.gz MVEDVMWVNNUIHR-JTQLQIEISA-N 0 0 222.284 3.524 20 30 BHEDRN C=C(C)[C@@H](C)OC(=O)c1occc1C(C)C ZINC000793205152 586013990 /nfs/dbraw/zinc/01/39/90/586013990.db2.gz MVEDVMWVNNUIHR-SNVBAGLBSA-N 0 0 222.284 3.524 20 30 BHEDRN C=C(C)C[N@H+](Cc1ccoc1)Cc1ccccc1 ZINC000793227219 586014890 /nfs/dbraw/zinc/01/48/90/586014890.db2.gz PPASCJIOGLDXQC-UHFFFAOYSA-N 0 0 241.334 3.858 20 30 BHEDRN N#Cc1ccccc1-c1cccc2cc[nH]c21 ZINC000793366624 586017709 /nfs/dbraw/zinc/01/77/09/586017709.db2.gz DDPVZBWPBSTCSP-UHFFFAOYSA-N 0 0 218.259 3.707 20 30 BHEDRN CC#Cc1cccc(-c2cccc3n[nH]cc32)c1 ZINC000793368188 644803608 /nfs/dbraw/zinc/80/36/08/644803608.db2.gz HCIKZMKMMHPSPD-UHFFFAOYSA-N 0 0 232.286 3.601 20 30 BHEDRN Cc1cccc(-c2ccc(N(C)C)cc2)c1C#N ZINC000793368534 644803346 /nfs/dbraw/zinc/80/33/46/644803346.db2.gz NVZUJNSRMSHFBH-UHFFFAOYSA-N 0 0 236.318 3.600 20 30 BHEDRN C[C@@H]1Cc2cc(-c3ccccc3C#N)ccc2O1 ZINC000793368632 644803468 /nfs/dbraw/zinc/80/34/68/644803468.db2.gz QJUQRDFIYWCVJC-LLVKDONJSA-N 0 0 235.286 3.549 20 30 BHEDRN C[C@H]1Cc2cc(-c3ccccc3C#N)ccc2O1 ZINC000793368634 644803158 /nfs/dbraw/zinc/80/31/58/644803158.db2.gz QJUQRDFIYWCVJC-NSHDSACASA-N 0 0 235.286 3.549 20 30 BHEDRN CC#Cc1cccc(-c2ccc(NC(C)=O)cc2)c1 ZINC000793368783 644803513 /nfs/dbraw/zinc/80/35/13/644803513.db2.gz WDXVZYQBBAHQKD-UHFFFAOYSA-N 0 0 249.313 3.683 20 30 BHEDRN N#Cc1ccccc1-c1cccc2ccoc21 ZINC000793380329 586017861 /nfs/dbraw/zinc/01/78/61/586017861.db2.gz GMEPAQNMROHTTB-UHFFFAOYSA-N 0 0 219.243 3.971 20 30 BHEDRN CC#CCCCC(=O)O[C@H]1C=CCCCCC1 ZINC000793398424 586018252 /nfs/dbraw/zinc/01/82/52/586018252.db2.gz JYSQGJJRLGMSTH-AWEZNQCLSA-N 0 0 234.339 3.612 20 30 BHEDRN CC#CCCCC(=O)O[C@@H]1C=CCCCCC1 ZINC000793398425 586018249 /nfs/dbraw/zinc/01/82/49/586018249.db2.gz JYSQGJJRLGMSTH-CQSZACIVSA-N 0 0 234.339 3.612 20 30 BHEDRN C#CCCCCC(=O)O[C@H]1C=CCCCCC1 ZINC000793399753 586017946 /nfs/dbraw/zinc/01/79/46/586017946.db2.gz CQXMXPJMYXTZFM-AWEZNQCLSA-N 0 0 234.339 3.612 20 30 BHEDRN C#CCCCCC(=O)O[C@@H]1C=CCCCCC1 ZINC000793399754 586017895 /nfs/dbraw/zinc/01/78/95/586017895.db2.gz CQXMXPJMYXTZFM-CQSZACIVSA-N 0 0 234.339 3.612 20 30 BHEDRN C=CCN(C(=O)[C@H]1CCCC[C@@H]1CC)C(C)C ZINC000793417110 586018955 /nfs/dbraw/zinc/01/89/55/586018955.db2.gz JOAKRAKQMWEIQK-KBPBESRZSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CCN(C(=O)[C@H]1CCCC[C@H]1CC)C(C)C ZINC000793417113 586019001 /nfs/dbraw/zinc/01/90/01/586019001.db2.gz JOAKRAKQMWEIQK-KGLIPLIRSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CCN(C(=O)[C@@H]1CCCC[C@@H]1CC)C(C)C ZINC000793417114 586018928 /nfs/dbraw/zinc/01/89/28/586018928.db2.gz JOAKRAKQMWEIQK-UONOGXRCSA-N 0 0 237.387 3.626 20 30 BHEDRN C=CCN(C(=O)[C@@H]1CCCC[C@H]1CC)C(C)C ZINC000793417116 586018987 /nfs/dbraw/zinc/01/89/87/586018987.db2.gz JOAKRAKQMWEIQK-ZIAGYGMSSA-N 0 0 237.387 3.626 20 30 BHEDRN C#CC(C)(C)NC(=O)CC(C)(C)C1CCCCC1 ZINC000793501323 586021009 /nfs/dbraw/zinc/02/10/09/586021009.db2.gz OBOCNLRIROQOHA-UHFFFAOYSA-N 0 0 249.398 3.511 20 30 BHEDRN C=CCCCCC[C@@H](C)Nc1cnn(CC)c1 ZINC000793545505 586022624 /nfs/dbraw/zinc/02/26/24/586022624.db2.gz DXHWRDIITRISHI-CYBMUJFWSA-N 0 0 235.375 3.840 20 30 BHEDRN C=CCCCCC[C@H](C)Nc1cnn(CC)c1 ZINC000793545506 586022385 /nfs/dbraw/zinc/02/23/85/586022385.db2.gz DXHWRDIITRISHI-ZDUSSCGKSA-N 0 0 235.375 3.840 20 30 BHEDRN C=CCCCCC[C@@H](C)Nc1c(C)nn(C)c1C ZINC000793546949 586022514 /nfs/dbraw/zinc/02/25/14/586022514.db2.gz ZGGBDZQGAPMLSR-GFCCVEGCSA-N 0 0 249.402 3.974 20 30 BHEDRN C=CCCCCC[C@H](C)Nc1c(C)nn(C)c1C ZINC000793546955 586022467 /nfs/dbraw/zinc/02/24/67/586022467.db2.gz ZGGBDZQGAPMLSR-LBPRGKRZSA-N 0 0 249.402 3.974 20 30 BHEDRN C=CCCCCC[C@@H](C)Nc1cnn(C)c1C ZINC000793551545 586022759 /nfs/dbraw/zinc/02/27/59/586022759.db2.gz ZNSKOEPUPJWCTI-GFCCVEGCSA-N 0 0 235.375 3.665 20 30 BHEDRN C=CCCCCC[C@H](C)Nc1cnn(C)c1C ZINC000793551546 586022789 /nfs/dbraw/zinc/02/27/89/586022789.db2.gz ZNSKOEPUPJWCTI-LBPRGKRZSA-N 0 0 235.375 3.665 20 30 BHEDRN C#CCCCNC(=O)CC(C)(C)C1CCCCC1 ZINC000793579844 586023518 /nfs/dbraw/zinc/02/35/18/586023518.db2.gz ZRVSVXNVMWVBSJ-UHFFFAOYSA-N 0 0 249.398 3.513 20 30 BHEDRN Cc1ccoc1C/N=C/c1cc(Cl)ccc1O ZINC000793653141 586024624 /nfs/dbraw/zinc/02/46/24/586024624.db2.gz DLUFHETXYOZEHF-VIZOYTHASA-N 0 0 249.697 3.566 20 30 BHEDRN CCCCCCCCNC(=O)CCC(F)F ZINC000793731169 586025681 /nfs/dbraw/zinc/02/56/81/586025681.db2.gz YTVWGFDYWZIQNI-UHFFFAOYSA-N 0 0 235.318 3.508 20 30 BHEDRN C=C(C)CNc1cccc(-c2ncco2)c1C ZINC000793891927 586028367 /nfs/dbraw/zinc/02/83/67/586028367.db2.gz OYWIRHKCBDOCCG-UHFFFAOYSA-N 0 0 228.295 3.638 20 30 BHEDRN C#C[C@@H](CC)NC(=O)CC(C)(C)C1CCCCC1 ZINC000793962202 586029501 /nfs/dbraw/zinc/02/95/01/586029501.db2.gz NEPWFIFCAHEMOY-AWEZNQCLSA-N 0 0 249.398 3.511 20 30 BHEDRN C#C[C@H](CC)NC(=O)CC(C)(C)C1CCCCC1 ZINC000793962203 586029494 /nfs/dbraw/zinc/02/94/94/586029494.db2.gz 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CC(C)[C@H]1CCCC(=NO[C@H]2CCCCO2)C1 ZINC000794523070 586041750 /nfs/dbraw/zinc/04/17/50/586041750.db2.gz CMZBUCMRPUNLFV-JSGCOSHPSA-N 0 0 239.359 3.732 20 30 BHEDRN CC(C)[C@@H]1CCCC(=NO[C@H]2CCCCO2)C1 ZINC000794523071 586041889 /nfs/dbraw/zinc/04/18/89/586041889.db2.gz CMZBUCMRPUNLFV-OCCSQVGLSA-N 0 0 239.359 3.732 20 30 BHEDRN CC(C)[C@@H]1CCCC(=NO[C@@H]2CCCCO2)C1 ZINC000794523072 586041906 /nfs/dbraw/zinc/04/19/06/586041906.db2.gz CMZBUCMRPUNLFV-TZMCWYRMSA-N 0 0 239.359 3.732 20 30 BHEDRN FC(F)(F)c1ccc(N=NCC2(F)CC2)cc1 ZINC000794523425 586041893 /nfs/dbraw/zinc/04/18/93/586041893.db2.gz OJAWZFGKBUEHPW-UHFFFAOYSA-N 0 0 246.207 3.605 20 30 BHEDRN FC(F)(F)c1ccccc1ON=CC1(F)CC1 ZINC000794525060 586042110 /nfs/dbraw/zinc/04/21/10/586042110.db2.gz YPYBJRWVFVZPEJ-UHFFFAOYSA-N 0 0 247.191 3.572 20 30 BHEDRN FC(F)c1ccc(C=NOC2CCCC2)cc1 ZINC000794527383 586042074 /nfs/dbraw/zinc/04/20/74/586042074.db2.gz YWYNGAPFZSJDOU-UHFFFAOYSA-N 0 0 239.265 3.917 20 30 BHEDRN CC(C)[C@@H]1CCCC(N=Nc2ccnc(F)c2)C1 ZINC000794530329 586042309 /nfs/dbraw/zinc/04/23/09/586042309.db2.gz KYJGXNKJOMGSNV-LLVKDONJSA-N 0 0 249.333 3.835 20 30 BHEDRN CC(C)[C@H]1CCCC(N=Nc2ccnc(F)c2)C1 ZINC000794530331 586042277 /nfs/dbraw/zinc/04/22/77/586042277.db2.gz KYJGXNKJOMGSNV-NSHDSACASA-N 0 0 249.333 3.835 20 30 BHEDRN CC(C)C[C@H]1CCCC(N=Nc2ccncc2)C1 ZINC000794532053 583604023 /nfs/dbraw/zinc/60/40/23/583604023.db2.gz ZERBVKFVWUWBBL-CYBMUJFWSA-N 0 0 245.370 3.508 20 30 BHEDRN CC(C)C[C@@H]1CCCC(N=Nc2ccncc2)C1 ZINC000794532056 583604018 /nfs/dbraw/zinc/60/40/18/583604018.db2.gz ZERBVKFVWUWBBL-ZDUSSCGKSA-N 0 0 245.370 3.508 20 30 BHEDRN CC[C@@H](C)NN=C1CCC[C@H](C(C)C)C1 ZINC000794533837 586042417 /nfs/dbraw/zinc/04/24/17/586042417.db2.gz CFPFJCFVNQWXSP-NEPJUHHUSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)N=NC1CCC[C@@H](C(C)C)C1 ZINC000794533838 586042224 /nfs/dbraw/zinc/04/22/24/586042224.db2.gz CFPFJCFVNQWXSP-NWDGAFQWSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@H](C)NN=C1CCC[C@H](C(C)C)C1 ZINC000794533839 586042354 /nfs/dbraw/zinc/04/23/54/586042354.db2.gz CFPFJCFVNQWXSP-RYUDHWBXSA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H](C)NN=C1CCC[C@@H](C(C)C)C1 ZINC000794533840 586042449 /nfs/dbraw/zinc/04/24/49/586042449.db2.gz CFPFJCFVNQWXSP-VXGBXAGGSA-N 0 0 210.365 3.577 20 30 BHEDRN CC(C)C[C@@H]1CCCC(=NOCC(F)F)C1 ZINC000794535360 586042122 /nfs/dbraw/zinc/04/21/22/586042122.db2.gz RVHQTWOMWIGXJO-JTQLQIEISA-N 0 0 233.302 3.860 20 30 BHEDRN CC(C)C[C@H]1CCCC(=NOCC(F)F)C1 ZINC000794535362 586041991 /nfs/dbraw/zinc/04/19/91/586041991.db2.gz RVHQTWOMWIGXJO-SNVBAGLBSA-N 0 0 233.302 3.860 20 30 BHEDRN CC(C)[C@@H](C=NOCC(F)F)c1ccccc1 ZINC000794535392 586042640 /nfs/dbraw/zinc/04/26/40/586042640.db2.gz SIMUAUBIJNKHEE-GFCCVEGCSA-N 0 0 241.281 3.694 20 30 BHEDRN CC(C)[C@H](C=NOCC(F)F)c1ccccc1 ZINC000794535393 586042525 /nfs/dbraw/zinc/04/25/25/586042525.db2.gz SIMUAUBIJNKHEE-LBPRGKRZSA-N 0 0 241.281 3.694 20 30 BHEDRN CC(N=NC1CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000794535849 586042522 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MPSCKYSDJMNBLI-SECBINFHSA-N 0 0 238.297 3.731 20 30 BHEDRN CCC[C@H](C)C(CC)=NNCCC(F)(F)F ZINC000794545585 586043479 /nfs/dbraw/zinc/04/34/79/586043479.db2.gz MPSCKYSDJMNBLI-VIFPVBQESA-N 0 0 238.297 3.731 20 30 BHEDRN CC(CCCC(C)C)=NNCCC(F)(F)F ZINC000794546915 586041880 /nfs/dbraw/zinc/04/18/80/586041880.db2.gz XGMPTRPFAJGTPY-UHFFFAOYSA-N 0 0 238.297 3.731 20 30 BHEDRN FC(F)(F)CCN=NC1CCCCCCC1 ZINC000794551103 586043749 /nfs/dbraw/zinc/04/37/49/586043749.db2.gz BNRNJJTVPUDRCR-UHFFFAOYSA-N 0 0 236.281 3.629 20 30 BHEDRN CCC(C[C@H](C)CC)=NNCCC(F)(F)F ZINC000794552632 586043646 /nfs/dbraw/zinc/04/36/46/586043646.db2.gz QCGNSSJFIAYAGX-SECBINFHSA-N 0 0 238.297 3.731 20 30 BHEDRN CCC(C[C@@H](C)CC)=NNCCC(F)(F)F ZINC000794552633 586043738 /nfs/dbraw/zinc/04/37/38/586043738.db2.gz QCGNSSJFIAYAGX-VIFPVBQESA-N 0 0 238.297 3.731 20 30 BHEDRN CSCCON=C(C)c1csc(Cl)c1 ZINC000794571570 586044124 /nfs/dbraw/zinc/04/41/24/586044124.db2.gz CBAVAWRBRSVLME-UHFFFAOYSA-N 0 0 249.788 3.505 20 30 BHEDRN 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CSCCON=C1CCC[C@H]1c1ccccc1 ZINC000794572809 586044595 /nfs/dbraw/zinc/04/45/95/586044595.db2.gz IQEDBKBDPCALKO-ZDUSSCGKSA-N 0 0 249.379 3.690 20 30 BHEDRN CSCCON=C1CCC[C@@H](C(C)C)C1 ZINC000794572881 586044428 /nfs/dbraw/zinc/04/44/28/586044428.db2.gz KCUSYWHQQGHWLS-LLVKDONJSA-N 0 0 229.389 3.568 20 30 BHEDRN CSCCON=C1CCC[C@H](C(C)C)C1 ZINC000794572882 586044441 /nfs/dbraw/zinc/04/44/41/586044441.db2.gz KCUSYWHQQGHWLS-NSHDSACASA-N 0 0 229.389 3.568 20 30 BHEDRN CCC[C@H](C)C(CC)=NOCCSC ZINC000794573096 586044501 /nfs/dbraw/zinc/04/45/01/586044501.db2.gz QKHXSBODZKHYJX-JTQLQIEISA-N 0 0 217.378 3.568 20 30 BHEDRN CCC[C@@H](C)C(CC)=NOCCSC ZINC000794573097 586044564 /nfs/dbraw/zinc/04/45/64/586044564.db2.gz QKHXSBODZKHYJX-SNVBAGLBSA-N 0 0 217.378 3.568 20 30 BHEDRN CCC(=NOCCSC)C1CCCCC1 ZINC000794573176 586044582 /nfs/dbraw/zinc/04/45/82/586044582.db2.gz VBJRJCCLFSSIJB-UHFFFAOYSA-N 0 0 229.389 3.712 20 30 BHEDRN CSCCON=C(CC(C)C)CC(C)C ZINC000794573358 586044624 /nfs/dbraw/zinc/04/46/24/586044624.db2.gz YIVDKKMKRDRKLQ-UHFFFAOYSA-N 0 0 231.405 3.814 20 30 BHEDRN CSCCON=CC[C@@H](C)c1ccccc1 ZINC000794573381 586044432 /nfs/dbraw/zinc/04/44/32/586044432.db2.gz ZFMDYHIYCYERJM-GFCCVEGCSA-N 0 0 237.368 3.546 20 30 BHEDRN CSCCON=CC[C@H](C)c1ccccc1 ZINC000794573382 586044532 /nfs/dbraw/zinc/04/45/32/586044532.db2.gz ZFMDYHIYCYERJM-LBPRGKRZSA-N 0 0 237.368 3.546 20 30 BHEDRN CSCCON=CC1CCC(C)(C)CC1 ZINC000794573388 583614439 /nfs/dbraw/zinc/61/44/39/583614439.db2.gz ZLKNLLAGXRDFSP-UHFFFAOYSA-N 0 0 229.389 3.568 20 30 BHEDRN CSCCON=C(C(C)C)C1CCCCC1 ZINC000794573461 586044411 /nfs/dbraw/zinc/04/44/11/586044411.db2.gz CYERGBLXMWLEIN-UHFFFAOYSA-N 0 0 243.416 3.958 20 30 BHEDRN CCCC1CCC(C=NOCCSC)CC1 ZINC000794573472 586044540 /nfs/dbraw/zinc/04/45/40/586044540.db2.gz DDGMRZANTLYUSZ-UHFFFAOYSA-N 0 0 243.416 3.958 20 30 BHEDRN CCCC(=NOCCSC)c1ccsc1 ZINC000794573690 711779414 /nfs/dbraw/zinc/77/94/14/711779414.db2.gz HQNWTRULXOGEGF-UHFFFAOYSA-N 0 0 243.397 3.632 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ZINC000794855431 586051490 /nfs/dbraw/zinc/05/14/90/586051490.db2.gz TURTUUQYECSMOC-GFCCVEGCSA-N 0 0 234.318 3.923 20 30 BHEDRN Cc1cccc(N=NC2CCC[C@H]2CCF)c1 ZINC000794855432 586051538 /nfs/dbraw/zinc/05/15/38/586051538.db2.gz TURTUUQYECSMOC-LBPRGKRZSA-N 0 0 234.318 3.923 20 30 BHEDRN C(=NNc1ccccc1)c1ccc2occc2c1 ZINC000794856224 586051755 /nfs/dbraw/zinc/05/17/55/586051755.db2.gz HKBPJDCHKQXJPN-UHFFFAOYSA-N 0 0 236.274 3.879 20 30 BHEDRN FCC[C@H]1CCCC1N=Nc1ccccc1 ZINC000794856958 586051811 /nfs/dbraw/zinc/05/18/11/586051811.db2.gz UKZIJAZRONMADW-LLVKDONJSA-N 0 0 220.291 3.614 20 30 BHEDRN FCC[C@@H]1CCCC1N=Nc1ccccc1 ZINC000794856963 586051853 /nfs/dbraw/zinc/05/18/53/586051853.db2.gz UKZIJAZRONMADW-NSHDSACASA-N 0 0 220.291 3.614 20 30 BHEDRN Clc1cccc(CCN=Nc2ccccc2)c1 ZINC000794857434 583622894 /nfs/dbraw/zinc/62/28/94/583622894.db2.gz ZFJAZEYVMDKIIU-UHFFFAOYSA-N 0 0 244.725 3.980 20 30 BHEDRN FCC[C@@H]1CCCC1N=Nc1ccc(F)cc1 ZINC000794861950 586052023 /nfs/dbraw/zinc/05/20/23/586052023.db2.gz HJKBGLCXAXVHRC-JTQLQIEISA-N 0 0 238.281 3.753 20 30 BHEDRN FCC[C@H]1CCCC1N=Nc1ccc(F)cc1 ZINC000794861952 586052187 /nfs/dbraw/zinc/05/21/87/586052187.db2.gz HJKBGLCXAXVHRC-SNVBAGLBSA-N 0 0 238.281 3.753 20 30 BHEDRN CC(C)C1CCC(CN=Nc2ccccn2)CC1 ZINC000794870189 586052584 /nfs/dbraw/zinc/05/25/84/586052584.db2.gz HYAGYJLUCZVKPL-UHFFFAOYSA-N 0 0 245.370 3.942 20 30 BHEDRN CCC(N=Nc1ccccn1)c1cccc(C)c1 ZINC000794870434 586052718 /nfs/dbraw/zinc/05/27/18/586052718.db2.gz NBTQGOVAHXNDQF-UHFFFAOYSA-N 0 0 239.322 3.616 20 30 BHEDRN FCC[C@@H]1CCCC1N=Nc1ccccc1F ZINC000794886986 586053465 /nfs/dbraw/zinc/05/34/65/586053465.db2.gz CPQYGQYLCMZLPI-JTQLQIEISA-N 0 0 238.281 3.753 20 30 BHEDRN FCC[C@H]1CCCC1N=Nc1ccccc1F ZINC000794886987 586053500 /nfs/dbraw/zinc/05/35/00/586053500.db2.gz CPQYGQYLCMZLPI-SNVBAGLBSA-N 0 0 238.281 3.753 20 30 BHEDRN FCC[C@H]1CCCC1=NOCc1ccccc1 ZINC000794888680 586053348 /nfs/dbraw/zinc/05/33/48/586053348.db2.gz RFMDWUGEGSVASS-CYBMUJFWSA-N 0 0 235.302 3.719 20 30 BHEDRN FCC[C@@H]1CCCC1=NOCc1ccccc1 ZINC000794888965 586053385 /nfs/dbraw/zinc/05/33/85/586053385.db2.gz RFMDWUGEGSVASS-ZDUSSCGKSA-N 0 0 235.302 3.719 20 30 BHEDRN CON=CCCc1ccc(-c2ccccc2)cc1 ZINC000794891425 586053526 /nfs/dbraw/zinc/05/35/26/586053526.db2.gz QCWJIYSGHNQIDH-UHFFFAOYSA-N 0 0 239.318 3.918 20 30 BHEDRN C[C@H](N=NC1CCC[C@@H]1CCF)c1ccccc1 ZINC000794900679 586053981 /nfs/dbraw/zinc/05/39/81/586053981.db2.gz BBLRSEDSAYIZAD-GXTWGEPZSA-N 0 0 248.345 3.853 20 30 BHEDRN C[C@H](NN=C1CCC[C@H]1CCF)c1ccccc1 ZINC000794900680 586053969 /nfs/dbraw/zinc/05/39/69/586053969.db2.gz BBLRSEDSAYIZAD-JSGCOSHPSA-N 0 0 248.345 3.853 20 30 BHEDRN C[C@@H](NN=C1CCC[C@H]1CCF)c1ccccc1 ZINC000794900681 586053976 /nfs/dbraw/zinc/05/39/76/586053976.db2.gz BBLRSEDSAYIZAD-OCCSQVGLSA-N 0 0 248.345 3.853 20 30 BHEDRN C[C@@H](NN=C1CCC[C@@H]1CCF)c1ccccc1 ZINC000794900682 583626077 /nfs/dbraw/zinc/62/60/77/583626077.db2.gz BBLRSEDSAYIZAD-TZMCWYRMSA-N 0 0 248.345 3.853 20 30 BHEDRN FCC[C@@H]1CCCC1N=Nc1cccc(F)c1 ZINC000794901214 586053869 /nfs/dbraw/zinc/05/38/69/586053869.db2.gz KCSLCRQVGXKGGU-JTQLQIEISA-N 0 0 238.281 3.753 20 30 BHEDRN FCC[C@H]1CCCC1N=Nc1cccc(F)c1 ZINC000794901216 586053801 /nfs/dbraw/zinc/05/38/01/586053801.db2.gz KCSLCRQVGXKGGU-SNVBAGLBSA-N 0 0 238.281 3.753 20 30 BHEDRN CCCCCCCSCc1ccnc(C)n1 ZINC000794903990 586054187 /nfs/dbraw/zinc/05/41/87/586054187.db2.gz IUBOGWCTNHQQLT-UHFFFAOYSA-N 0 0 238.400 3.989 20 30 BHEDRN CCC(CC)NN=Cc1ccc2occc2c1 ZINC000794909061 586054138 /nfs/dbraw/zinc/05/41/38/586054138.db2.gz PZWBLTRRPRECSG-UHFFFAOYSA-N 0 0 230.311 3.545 20 30 BHEDRN Cc1cc(C)c(N=NC2CSC[C@H]2C)c(C)c1 ZINC000794914643 586054536 /nfs/dbraw/zinc/05/45/36/586054536.db2.gz KKMQDGCVXXMGKQ-GFCCVEGCSA-N 0 0 248.395 3.763 20 30 BHEDRN Cc1cc(C)c(N=NC2CSC[C@@H]2C)c(C)c1 ZINC000794914651 586054841 /nfs/dbraw/zinc/05/48/41/586054841.db2.gz KKMQDGCVXXMGKQ-LBPRGKRZSA-N 0 0 248.395 3.763 20 30 BHEDRN Cc1cccc(CNN=C2CCC[C@H]2CCF)c1 ZINC000794918097 586055162 /nfs/dbraw/zinc/05/51/62/586055162.db2.gz OLTGYMPFAXOBLN-AWEZNQCLSA-N 0 0 248.345 3.600 20 30 BHEDRN Cc1cccc(CNN=C2CCC[C@@H]2CCF)c1 ZINC000794918098 586054868 /nfs/dbraw/zinc/05/48/68/586054868.db2.gz OLTGYMPFAXOBLN-CQSZACIVSA-N 0 0 248.345 3.600 20 30 BHEDRN CCC(=NOCC(F)(F)F)c1cccc(C)c1 ZINC000794920300 586055048 /nfs/dbraw/zinc/05/50/48/586055048.db2.gz JDXVGLCCDPTTQB-UHFFFAOYSA-N 0 0 245.244 3.688 20 30 BHEDRN CCCCCCCS(=O)(=O)[C@H](CC)CCC ZINC000794920395 586055119 /nfs/dbraw/zinc/05/51/19/586055119.db2.gz FTSZZVUHZABURV-CYBMUJFWSA-N 0 0 248.432 3.950 20 30 BHEDRN CCCCCCCS(=O)(=O)[C@@H](CC)CCC ZINC000794920396 586055057 /nfs/dbraw/zinc/05/50/57/586055057.db2.gz FTSZZVUHZABURV-ZDUSSCGKSA-N 0 0 248.432 3.950 20 30 BHEDRN C(=NOC1CCCC1)c1ccc2occc2c1 ZINC000794921168 586055180 /nfs/dbraw/zinc/05/51/80/586055180.db2.gz DJYPXYOBIHJCDZ-UHFFFAOYSA-N 0 0 229.279 3.726 20 30 BHEDRN Clc1cccc(CC=NOC2CCCC2)c1 ZINC000794921175 586054902 /nfs/dbraw/zinc/05/49/02/586054902.db2.gz DXGNLPHPKXIUEL-UHFFFAOYSA-N 0 0 237.730 3.828 20 30 BHEDRN CC(C)CON=CCc1cccc(Cl)c1 ZINC000794921639 586054935 /nfs/dbraw/zinc/05/49/35/586054935.db2.gz BYKUGMLYNCUFSO-UHFFFAOYSA-N 0 0 225.719 3.541 20 30 BHEDRN CC(C)CON=C/C=C\c1ccc(F)c(F)c1 ZINC000794922535 586055624 /nfs/dbraw/zinc/05/56/24/586055624.db2.gz KKABGDZUDHJBNR-LQQBLGBGSA-N 0 0 239.265 3.636 20 30 BHEDRN CC(C)CON=C/C=C/c1ccc(F)c(F)c1 ZINC000794922538 583629072 /nfs/dbraw/zinc/62/90/72/583629072.db2.gz KKABGDZUDHJBNR-VFVPTBDISA-N 0 0 239.265 3.636 20 30 BHEDRN c1ccc([C@H]2CCCC2=NOC2CCCC2)nc1 ZINC000794922991 583629091 /nfs/dbraw/zinc/62/90/91/583629091.db2.gz VJSNLZWLWBYCQC-CYBMUJFWSA-N 0 0 244.338 3.664 20 30 BHEDRN c1ccc([C@@H]2CCCC2=NOC2CCCC2)nc1 ZINC000794922998 583628770 /nfs/dbraw/zinc/62/87/70/583628770.db2.gz VJSNLZWLWBYCQC-ZDUSSCGKSA-N 0 0 244.338 3.664 20 30 BHEDRN CCC(=NO[C@H]1CCCCO1)c1cccc(C)c1 ZINC000794923487 586055598 /nfs/dbraw/zinc/05/55/98/586055598.db2.gz PVFMVZRZJODBGS-HNNXBMFYSA-N 0 0 247.338 3.652 20 30 BHEDRN CCC(=NO[C@@H]1CCCCO1)c1cccc(C)c1 ZINC000794923488 586055477 /nfs/dbraw/zinc/05/54/77/586055477.db2.gz PVFMVZRZJODBGS-OAHLLOKOSA-N 0 0 247.338 3.652 20 30 BHEDRN CC(C)C1CCC(C=NOCC(F)F)CC1 ZINC000794928395 586055869 /nfs/dbraw/zinc/05/58/69/586055869.db2.gz FYHZCBKRDBCYFQ-UHFFFAOYSA-N 0 0 233.302 3.716 20 30 BHEDRN CC(C)(C)CCNN=Cc1ccc2occc2c1 ZINC000794928973 586055849 /nfs/dbraw/zinc/05/58/49/586055849.db2.gz KGQHUXJATLEJBK-UHFFFAOYSA-N 0 0 244.338 3.793 20 30 BHEDRN CC(C)(C)CCN=NC1CCC[C@@H]1CCF ZINC000794929207 586056005 /nfs/dbraw/zinc/05/60/05/586056005.db2.gz QIODSCXTGBTUOF-LLVKDONJSA-N 0 0 228.355 3.528 20 30 BHEDRN CC(C)(C)CCNN=C1CCC[C@H]1CCF ZINC000794929208 586055912 /nfs/dbraw/zinc/05/59/12/586055912.db2.gz QIODSCXTGBTUOF-NSHDSACASA-N 0 0 228.355 3.528 20 30 BHEDRN CCC(CC)CNN=C1CCC[C@@H]1CCF ZINC000794930043 586055647 /nfs/dbraw/zinc/05/56/47/586055647.db2.gz BDPRMAVZANLLOI-GFCCVEGCSA-N 0 0 228.355 3.528 20 30 BHEDRN CCC(CC)CN=NC1CCC[C@H]1CCF ZINC000794930044 586055866 /nfs/dbraw/zinc/05/58/66/586055866.db2.gz BDPRMAVZANLLOI-LBPRGKRZSA-N 0 0 228.355 3.528 20 30 BHEDRN FCC[C@H]1CCCC1=NOC1CCCCC1 ZINC000794930953 586056142 /nfs/dbraw/zinc/05/61/42/586056142.db2.gz NESDYXXRVXKPNV-LLVKDONJSA-N 0 0 227.323 3.851 20 30 BHEDRN FCC[C@@H]1CCCC1=NOC1CCCCC1 ZINC000794930954 586056205 /nfs/dbraw/zinc/05/62/05/586056205.db2.gz NESDYXXRVXKPNV-NSHDSACASA-N 0 0 227.323 3.851 20 30 BHEDRN CCC(CC)CNN=Cc1ccc2occc2c1 ZINC000794931106 586056219 /nfs/dbraw/zinc/05/62/19/586056219.db2.gz QOEXPNJBTDSSEU-UHFFFAOYSA-N 0 0 244.338 3.793 20 30 BHEDRN C(=NNC1CCCCC1)c1ccc2occc2c1 ZINC000794933150 586056117 /nfs/dbraw/zinc/05/61/17/586056117.db2.gz PCDAOFCDFCWSCL-UHFFFAOYSA-N 0 0 242.322 3.689 20 30 BHEDRN CC1(C)CCC[C@@H]1NN=C1CCC[C@H]1CCF ZINC000794934861 586056777 /nfs/dbraw/zinc/05/67/77/586056777.db2.gz ANNDAIXEFAPGMG-AAEUAGOBSA-N 0 0 240.366 3.670 20 30 BHEDRN CC1(C)CCC[C@H]1NN=C1CCC[C@@H]1CCF ZINC000794934862 586056791 /nfs/dbraw/zinc/05/67/91/586056791.db2.gz ANNDAIXEFAPGMG-DGCLKSJQSA-N 0 0 240.366 3.670 20 30 BHEDRN CC1(C)CCC[C@H]1NN=C1CCC[C@H]1CCF ZINC000794934864 586056685 /nfs/dbraw/zinc/05/66/85/586056685.db2.gz ANNDAIXEFAPGMG-WCQYABFASA-N 0 0 240.366 3.670 20 30 BHEDRN CC1(C)CCC[C@@H]1N=NC1CCC[C@@H]1CCF ZINC000794934865 586056337 /nfs/dbraw/zinc/05/63/37/586056337.db2.gz ANNDAIXEFAPGMG-YPMHNXCESA-N 0 0 240.366 3.670 20 30 BHEDRN CCc1cccc(C)c1N=NC1CSC[C@H]1C ZINC000794938613 586056510 /nfs/dbraw/zinc/05/65/10/586056510.db2.gz RXPWYZPNLVDOTN-LLVKDONJSA-N 0 0 248.395 3.708 20 30 BHEDRN CCc1cccc(C)c1N=NC1CSC[C@@H]1C ZINC000794938615 586056485 /nfs/dbraw/zinc/05/64/85/586056485.db2.gz RXPWYZPNLVDOTN-NSHDSACASA-N 0 0 248.395 3.708 20 30 BHEDRN CSCCON=CC1CCC(C(C)C)CC1 ZINC000794939067 586056511 /nfs/dbraw/zinc/05/65/11/586056511.db2.gz VAYZSMSTSSLBTF-UHFFFAOYSA-N 0 0 243.416 3.814 20 30 BHEDRN CCc1cccc(F)c1/C=C/C(=O)c1ccco1 ZINC000794941135 586056565 /nfs/dbraw/zinc/05/65/65/586056565.db2.gz 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/nfs/dbraw/zinc/06/11/35/586061135.db2.gz SABWMZUEFVSFGG-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN Fc1cccnc1N=NCC1CCCCCC1 ZINC000794981064 586061024 /nfs/dbraw/zinc/06/10/24/586061024.db2.gz SXJSNMJRVSVIRI-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN Fc1cccnc1N=NC1CCCCCCC1 ZINC000794981074 586061056 /nfs/dbraw/zinc/06/10/56/586061056.db2.gz UEQRAUPUYZZAPA-UHFFFAOYSA-N 0 0 235.306 3.733 20 30 BHEDRN CCC1CCC(N=Nc2ncccc2F)CC1 ZINC000794981128 586061041 /nfs/dbraw/zinc/06/10/41/586061041.db2.gz VJBDUENOATYRMH-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN CC(N=Nc1ncccc1F)C1CCCCC1 ZINC000794981587 586061321 /nfs/dbraw/zinc/06/13/21/586061321.db2.gz YMBCSWUVFUIWTF-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN Fc1cccnc1N=NCCCC1CCCCC1 ZINC000794982307 586061081 /nfs/dbraw/zinc/06/10/81/586061081.db2.gz VWHMSJIXQZTAFF-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN CC[C@H]1CCCCC1N=Nc1ncccc1F ZINC000794982752 586061159 /nfs/dbraw/zinc/06/11/59/586061159.db2.gz ACUNMRDFFGJCEQ-JTQLQIEISA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@@H]1CCCCC1N=Nc1ncccc1F ZINC000794982753 586061027 /nfs/dbraw/zinc/06/10/27/586061027.db2.gz ACUNMRDFFGJCEQ-SNVBAGLBSA-N 0 0 235.306 3.589 20 30 BHEDRN CC(N=Nc1ncccc1F)C1C(C)(C)C1(C)C ZINC000794982770 586061247 /nfs/dbraw/zinc/06/12/47/586061247.db2.gz AZZIRXWWEFPJSQ-UHFFFAOYSA-N 0 0 249.333 3.691 20 30 BHEDRN C[C@H]1CC(C)(C)CCC1N=Nc1ncccc1F ZINC000794983456 586061031 /nfs/dbraw/zinc/06/10/31/586061031.db2.gz BKGMTMWKPLWXPL-JTQLQIEISA-N 0 0 249.333 3.835 20 30 BHEDRN C[C@@H]1CC(C)(C)CCC1N=Nc1ncccc1F ZINC000794983459 586061297 /nfs/dbraw/zinc/06/12/97/586061297.db2.gz BKGMTMWKPLWXPL-SNVBAGLBSA-N 0 0 249.333 3.835 20 30 BHEDRN CC(CCC(C)(C)C)N=Nc1ncccc1F ZINC000794983887 586061025 /nfs/dbraw/zinc/06/10/25/586061025.db2.gz GCLKMVGBPFYXJD-UHFFFAOYSA-N 0 0 237.322 3.835 20 30 BHEDRN CCC(C[C@@H](C)CC)N=Nc1ncccc1F ZINC000794984218 586061892 /nfs/dbraw/zinc/06/18/92/586061892.db2.gz JLIXRDIFKYXNSN-JTQLQIEISA-N 0 0 237.322 3.835 20 30 BHEDRN CCC(C[C@H](C)CC)N=Nc1ncccc1F 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/nfs/dbraw/zinc/06/17/76/586061776.db2.gz UBEXHIGLEZNHDO-SNVBAGLBSA-N 0 0 237.322 3.835 20 30 BHEDRN CC(C)CCCC(C)N=Nc1ncccc1F ZINC000794986186 586061812 /nfs/dbraw/zinc/06/18/12/586061812.db2.gz ZSCAFOSOOBAAHD-UHFFFAOYSA-N 0 0 237.322 3.835 20 30 BHEDRN CC1(C)CCC(N=Nc2ncccc2F)CC1 ZINC000794988986 586062078 /nfs/dbraw/zinc/06/20/78/586062078.db2.gz CDYULRDUUTVORE-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN CCC1(C)CCC(N=Nc2ncccc2F)CC1 ZINC000794989422 586062210 /nfs/dbraw/zinc/06/22/10/586062210.db2.gz GUJQSAVRDIUNMM-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN Fc1cccnc1N=NCCC1CCCCCC1 ZINC000794989458 586062010 /nfs/dbraw/zinc/06/20/10/586062010.db2.gz HRIZHEBWQVEICF-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN CC1(CN=Nc2ncccc2F)CCCCCC1 ZINC000794989710 586062321 /nfs/dbraw/zinc/06/23/21/586062321.db2.gz AXDFKCOUHGNBDG-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN CC(C)[C@H]1CCCCC1N=Nc1ncccc1F ZINC000794989768 586062237 /nfs/dbraw/zinc/06/22/37/586062237.db2.gz CGRBXJDDUONAFU-LLVKDONJSA-N 0 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CC(C)(C)CC(N=Nc1ncccc1F)C1CC1 ZINC000794990094 586062199 /nfs/dbraw/zinc/06/21/99/586062199.db2.gz NNXSEAKWFPVIDH-UHFFFAOYSA-N 0 0 249.333 3.835 20 30 BHEDRN CCC(N=Nc1ncccc1F)c1cccs1 ZINC000794990204 586062312 /nfs/dbraw/zinc/06/23/12/586062312.db2.gz JWBPOORDLMFKOC-UHFFFAOYSA-N 0 0 249.314 3.508 20 30 BHEDRN CC1=C[C@H](C)C[C@@H](CN=Nc2ncccc2F)C1 ZINC000794990471 586062079 /nfs/dbraw/zinc/06/20/79/586062079.db2.gz NSUODVGLIFWZAT-CMPLNLGQSA-N 0 0 247.317 3.611 20 30 BHEDRN CC1=C[C@H](C)C[C@H](CN=Nc2ncccc2F)C1 ZINC000794990473 586062084 /nfs/dbraw/zinc/06/20/84/586062084.db2.gz NSUODVGLIFWZAT-JQWIXIFHSA-N 0 0 247.317 3.611 20 30 BHEDRN CC1=C[C@@H](C)C[C@H](CN=Nc2ncccc2F)C1 ZINC000794990475 586062148 /nfs/dbraw/zinc/06/21/48/586062148.db2.gz NSUODVGLIFWZAT-PWSUYJOCSA-N 0 0 247.317 3.611 20 30 BHEDRN CC1=C[C@@H](C)C[C@@H](CN=Nc2ncccc2F)C1 ZINC000794990476 586062333 /nfs/dbraw/zinc/06/23/33/586062333.db2.gz NSUODVGLIFWZAT-ZYHUDNBSSA-N 0 0 247.317 3.611 20 30 BHEDRN CCCCC(CC)N=Nc1ncccc1F ZINC000794990721 586062304 /nfs/dbraw/zinc/06/23/04/586062304.db2.gz NTCVXCDHONGATL-UHFFFAOYSA-N 0 0 223.295 3.589 20 30 BHEDRN CCCCCC(C)N=Nc1ncccc1F ZINC000794990916 586062297 /nfs/dbraw/zinc/06/22/97/586062297.db2.gz SCOLPEYOLKQUCZ-UHFFFAOYSA-N 0 0 223.295 3.589 20 30 BHEDRN CC(C)=CCCC(C)N=Nc1ncccc1F ZINC000794990924 586062159 /nfs/dbraw/zinc/06/21/59/586062159.db2.gz SHYRIEJTRLBUGB-UHFFFAOYSA-N 0 0 235.306 3.755 20 30 BHEDRN CC1=CCC[C@@H](C)[C@H]1CN=Nc1ncccc1F ZINC000794990927 586062124 /nfs/dbraw/zinc/06/21/24/586062124.db2.gz SNDKVOGCMBWDNQ-NEPJUHHUSA-N 0 0 247.317 3.611 20 30 BHEDRN CC1=CCC[C@H](C)[C@@H]1CN=Nc1ncccc1F ZINC000794990928 586062305 /nfs/dbraw/zinc/06/23/05/586062305.db2.gz SNDKVOGCMBWDNQ-NWDGAFQWSA-N 0 0 247.317 3.611 20 30 BHEDRN CC1=CCC[C@H](C)[C@H]1CN=Nc1ncccc1F ZINC000794990929 586062072 /nfs/dbraw/zinc/06/20/72/586062072.db2.gz SNDKVOGCMBWDNQ-RYUDHWBXSA-N 0 0 247.317 3.611 20 30 BHEDRN CC1=CCC[C@@H](C)[C@@H]1CN=Nc1ncccc1F ZINC000794990930 586062230 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BHEDRN C=CCNN=C1C[C@H](C)C[C@H](c2ccccc2)C1 ZINC000794999622 586063917 /nfs/dbraw/zinc/06/39/17/586063917.db2.gz NVFUKLAXVBMJLA-HIFRSBDPSA-N 0 0 242.366 3.722 20 30 BHEDRN C=CCNN=C1C[C@H](C)C[C@@H](c2ccccc2)C1 ZINC000794999624 586063759 /nfs/dbraw/zinc/06/37/59/586063759.db2.gz NVFUKLAXVBMJLA-UKRRQHHQSA-N 0 0 242.366 3.722 20 30 BHEDRN C=CCNN=C1C[C@@H](C)C[C@H](c2ccccc2)C1 ZINC000794999626 586063693 /nfs/dbraw/zinc/06/36/93/586063693.db2.gz NVFUKLAXVBMJLA-ZFWWWQNUSA-N 0 0 242.366 3.722 20 30 BHEDRN C=CCNN=CC[C@H](C)CCC=C(C)C ZINC000794999644 586057680 /nfs/dbraw/zinc/05/76/80/586057680.db2.gz OKCNYQFEKDDOPQ-CYBMUJFWSA-N 0 0 208.349 3.520 20 30 BHEDRN C=CCNN=CC[C@@H](C)CCC=C(C)C ZINC000794999645 586058027 /nfs/dbraw/zinc/05/80/27/586058027.db2.gz OKCNYQFEKDDOPQ-ZDUSSCGKSA-N 0 0 208.349 3.520 20 30 BHEDRN C=CCNN=C(C)[C@H](C)c1ccc(Cl)cc1 ZINC000794999992 586063871 /nfs/dbraw/zinc/06/38/71/586063871.db2.gz WBVUNMLAAXPMBM-JTQLQIEISA-N 0 0 236.746 3.595 20 30 BHEDRN C=CCNN=C(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000794999994 586063829 /nfs/dbraw/zinc/06/38/29/586063829.db2.gz WBVUNMLAAXPMBM-SNVBAGLBSA-N 0 0 236.746 3.595 20 30 BHEDRN CC[C@H]1CCCCC1N=Nc1cccc(F)n1 ZINC000795005539 586064690 /nfs/dbraw/zinc/06/46/90/586064690.db2.gz ASAXVKMQCWXRPN-JTQLQIEISA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@@H]1CCCCC1N=Nc1cccc(F)n1 ZINC000795005540 586064553 /nfs/dbraw/zinc/06/45/53/586064553.db2.gz ASAXVKMQCWXRPN-SNVBAGLBSA-N 0 0 235.306 3.589 20 30 BHEDRN CC(CCC(C)(C)C)N=Nc1cccc(F)n1 ZINC000795005925 586064557 /nfs/dbraw/zinc/06/45/57/586064557.db2.gz FZEHVPYITUBERP-UHFFFAOYSA-N 0 0 237.322 3.835 20 30 BHEDRN CC1C=C(N=Nc2cccc(F)n2)CC(C)(C)C1 ZINC000795006007 586064735 /nfs/dbraw/zinc/06/47/35/586064735.db2.gz BCFMVXAZSLRWBW-UHFFFAOYSA-N 0 0 247.317 3.755 20 30 BHEDRN CC(C)C(CN=Nc1cccc(F)n1)C(C)C ZINC000795006336 586064419 /nfs/dbraw/zinc/06/44/19/586064419.db2.gz FXGCFCPIPYGFFU-UHFFFAOYSA-N 0 0 237.322 3.547 20 30 BHEDRN CCC(N=Nc1cccc(F)n1)C1CCCCC1 ZINC000795006373 586064728 /nfs/dbraw/zinc/06/47/28/586064728.db2.gz GPWCLSFVWDLTFV-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN CC[C@@H]1CC[C@@H](C)CC1N=Nc1cccc(F)n1 ZINC000795006426 586064532 /nfs/dbraw/zinc/06/45/32/586064532.db2.gz HXNWAFKTZIZNES-GHMZBOCLSA-N 0 0 249.333 3.835 20 30 BHEDRN CC[C@H]1CC[C@@H](C)CC1N=Nc1cccc(F)n1 ZINC000795006427 586064577 /nfs/dbraw/zinc/06/45/77/586064577.db2.gz HXNWAFKTZIZNES-MNOVXSKESA-N 0 0 249.333 3.835 20 30 BHEDRN CC[C@H]1CC[C@H](C)CC1N=Nc1cccc(F)n1 ZINC000795006428 586064474 /nfs/dbraw/zinc/06/44/74/586064474.db2.gz HXNWAFKTZIZNES-QWRGUYRKSA-N 0 0 249.333 3.835 20 30 BHEDRN CC[C@@H]1CC[C@H](C)CC1N=Nc1cccc(F)n1 ZINC000795006429 586064737 /nfs/dbraw/zinc/06/47/37/586064737.db2.gz HXNWAFKTZIZNES-WDEREUQCSA-N 0 0 249.333 3.835 20 30 BHEDRN Fc1cccc(N=NCCCC2CCCCC2)n1 ZINC000795006445 586064536 /nfs/dbraw/zinc/06/45/36/586064536.db2.gz ITWYXYPBXGREOR-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN CCCCCCCN=Nc1cccc(F)n1 ZINC000795006459 586064432 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CC1=C[C@@H](C)C[C@@H](CN=Nc2cccc(F)n2)C1 ZINC000795007530 583647947 /nfs/dbraw/zinc/64/79/47/583647947.db2.gz JJQHZMLHFMUTNL-ZYHUDNBSSA-N 0 0 247.317 3.611 20 30 BHEDRN CC1(C)CCC(N=Nc2cccc(F)n2)CC1 ZINC000795007651 586064908 /nfs/dbraw/zinc/06/49/08/586064908.db2.gz KWYMPVPMINXHTQ-UHFFFAOYSA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@H]1CCCC(N=Nc2cccc(F)n2)C1 ZINC000795007730 586065005 /nfs/dbraw/zinc/06/50/05/586065005.db2.gz NLEKEZDWYORKNV-JTQLQIEISA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@@H]1CCCC(N=Nc2cccc(F)n2)C1 ZINC000795007732 583648111 /nfs/dbraw/zinc/64/81/11/583648111.db2.gz NLEKEZDWYORKNV-SNVBAGLBSA-N 0 0 235.306 3.589 20 30 BHEDRN CC1(C)CCC(CN=Nc2cccc(F)n2)CC1 ZINC000795007957 586065007 /nfs/dbraw/zinc/06/50/07/586065007.db2.gz AHZQKUWFWNMYKA-UHFFFAOYSA-N 0 0 249.333 3.835 20 30 BHEDRN CCCCCC(C)N=Nc1cccc(F)n1 ZINC000795007974 586064916 /nfs/dbraw/zinc/06/49/16/586064916.db2.gz AUDIUHRFYIGDRL-UHFFFAOYSA-N 0 0 223.295 3.589 20 30 BHEDRN CC(C)CCC(N=Nc1cccc(F)n1)C1CC1 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ZINC000796732360 586111003 /nfs/dbraw/zinc/11/10/03/586111003.db2.gz QDQYTBWBUSPMIA-UHFFFAOYSA-N 0 0 232.323 3.811 20 30 BHEDRN C=CCC(C)(C)C(=O)Oc1cccc(CC)c1 ZINC000796733094 586111223 /nfs/dbraw/zinc/11/12/23/586111223.db2.gz TVMVYRCHTHBDHL-UHFFFAOYSA-N 0 0 232.323 3.757 20 30 BHEDRN C=CCC(C)(C)C(=O)Oc1cccc(C)c1C ZINC000796733412 586111068 /nfs/dbraw/zinc/11/10/68/586111068.db2.gz VHDPSXLSQXDQTA-UHFFFAOYSA-N 0 0 232.323 3.811 20 30 BHEDRN C=C(C)CCOC(=O)c1ccoc1C(C)C ZINC000796735255 586111220 /nfs/dbraw/zinc/11/12/20/586111220.db2.gz GWPHBULJYKYZBV-UHFFFAOYSA-N 0 0 222.284 3.526 20 30 BHEDRN C=C(C)CCOC(=O)c1coc2cc(F)ccc21 ZINC000796735257 586111210 /nfs/dbraw/zinc/11/12/10/586111210.db2.gz GXIDXNDPWSBGQC-UHFFFAOYSA-N 0 0 248.253 3.695 20 30 BHEDRN C=CCC(C)(C)C(=O)O[C@H](C)CC(C)C ZINC000796773524 586112153 /nfs/dbraw/zinc/11/21/53/586112153.db2.gz CLCSFAMTQIPCEL-LLVKDONJSA-N 0 0 212.333 3.567 20 30 BHEDRN C=CCC(C)(C)C(=O)O[C@@H](C)CC(C)C ZINC000796773525 586112300 /nfs/dbraw/zinc/11/23/00/586112300.db2.gz CLCSFAMTQIPCEL-NSHDSACASA-N 0 0 212.333 3.567 20 30 BHEDRN CCCCCC[C@@H](C)OC(=O)c1ccc(C#N)o1 ZINC000796773989 583881280 /nfs/dbraw/zinc/88/12/80/583881280.db2.gz HXANPKIUQHHFFC-LLVKDONJSA-N 0 0 249.310 3.667 20 30 BHEDRN CCCCCC[C@H](C)OC(=O)c1ccc(C#N)o1 ZINC000796773991 583881606 /nfs/dbraw/zinc/88/16/06/583881606.db2.gz HXANPKIUQHHFFC-NSHDSACASA-N 0 0 249.310 3.667 20 30 BHEDRN C=C[C@@H](CC)OC(=O)c1coc2cc(F)ccc12 ZINC000796813011 586113472 /nfs/dbraw/zinc/11/34/72/586113472.db2.gz RZZKIVJNBGLICR-JTQLQIEISA-N 0 0 248.253 3.693 20 30 BHEDRN C=C[C@H](CC)OC(=O)c1coc2cc(F)ccc12 ZINC000796813012 586113465 /nfs/dbraw/zinc/11/34/65/586113465.db2.gz RZZKIVJNBGLICR-SNVBAGLBSA-N 0 0 248.253 3.693 20 30 BHEDRN C=C[C@@H](CC)OC(=O)c1ccoc1C(C)C ZINC000796813145 586113315 /nfs/dbraw/zinc/11/33/15/586113315.db2.gz UTIMCCPKDKLWQJ-JTQLQIEISA-N 0 0 222.284 3.524 20 30 BHEDRN C=C[C@H](CC)OC(=O)c1ccoc1C(C)C ZINC000796813146 586113295 /nfs/dbraw/zinc/11/32/95/586113295.db2.gz UTIMCCPKDKLWQJ-SNVBAGLBSA-N 0 0 222.284 3.524 20 30 BHEDRN C=CCC(C)(C)C(=O)O[C@H](C)Cc1ccccc1 ZINC000796818244 586113482 /nfs/dbraw/zinc/11/34/82/586113482.db2.gz PVSYCMGEYBJXPG-CYBMUJFWSA-N 0 0 246.350 3.763 20 30 BHEDRN C=CCC(C)(C)C(=O)O[C@@H](C)Cc1ccccc1 ZINC000796818245 586113556 /nfs/dbraw/zinc/11/35/56/586113556.db2.gz PVSYCMGEYBJXPG-ZDUSSCGKSA-N 0 0 246.350 3.763 20 30 BHEDRN C#CCC(C)(C)COC(=O)c1ccoc1C(C)C ZINC000796822186 586113875 /nfs/dbraw/zinc/11/38/75/586113875.db2.gz QPLLTIRIFKDEFG-UHFFFAOYSA-N 0 0 248.322 3.609 20 30 BHEDRN C=C(C)[C@@H](C)OC(=O)c1coc2cc(F)ccc21 ZINC000796833445 586114213 /nfs/dbraw/zinc/11/42/13/586114213.db2.gz FPJKDXHZSSAGSP-SECBINFHSA-N 0 0 248.253 3.693 20 30 BHEDRN C=C(C)[C@H](C)OC(=O)c1coc2cc(F)ccc21 ZINC000796833909 586114294 /nfs/dbraw/zinc/11/42/94/586114294.db2.gz FPJKDXHZSSAGSP-VIFPVBQESA-N 0 0 248.253 3.693 20 30 BHEDRN C=C(C)[C@H](C)OC(=O)c1ccoc1C(C)C ZINC000796834113 586114277 /nfs/dbraw/zinc/11/42/77/586114277.db2.gz GVTQWBNROPUCRF-JTQLQIEISA-N 0 0 222.284 3.524 20 30 BHEDRN C=C(C)[C@@H](C)OC(=O)c1ccoc1C(C)C ZINC000796834116 586114185 /nfs/dbraw/zinc/11/41/85/586114185.db2.gz GVTQWBNROPUCRF-SNVBAGLBSA-N 0 0 222.284 3.524 20 30 BHEDRN C=C(C)[C@H](C)OC(=O)[C@@](C)(CC)CCC ZINC000796836627 586114157 /nfs/dbraw/zinc/11/41/57/586114157.db2.gz VLEDJXYTDGBGJO-AAEUAGOBSA-N 0 0 212.333 3.711 20 30 BHEDRN C=C(C)[C@@H](C)OC(=O)[C@](C)(CC)CCC ZINC000796836628 586114172 /nfs/dbraw/zinc/11/41/72/586114172.db2.gz VLEDJXYTDGBGJO-DGCLKSJQSA-N 0 0 212.333 3.711 20 30 BHEDRN C=C(C)[C@H](C)OC(=O)[C@](C)(CC)CCC ZINC000796836630 586114119 /nfs/dbraw/zinc/11/41/19/586114119.db2.gz VLEDJXYTDGBGJO-WCQYABFASA-N 0 0 212.333 3.711 20 30 BHEDRN C=C(C)[C@@H](C)OC(=O)[C@@](C)(CC)CCC ZINC000796836631 586114207 /nfs/dbraw/zinc/11/42/07/586114207.db2.gz VLEDJXYTDGBGJO-YPMHNXCESA-N 0 0 212.333 3.711 20 30 BHEDRN CCCC[C@H](CC)COC(=O)[C@@](C)(C#N)CC ZINC000796837048 586114401 /nfs/dbraw/zinc/11/44/01/586114401.db2.gz MNKCLEWXOBGAHE-GXTWGEPZSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCC[C@H](CC)COC(=O)[C@](C)(C#N)CC ZINC000796837050 586114536 /nfs/dbraw/zinc/11/45/36/586114536.db2.gz MNKCLEWXOBGAHE-JSGCOSHPSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCC[C@@H](CC)COC(=O)[C@](C)(C#N)CC ZINC000796837053 586114361 /nfs/dbraw/zinc/11/43/61/586114361.db2.gz MNKCLEWXOBGAHE-OCCSQVGLSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCC[C@@H](CC)COC(=O)[C@@](C)(C#N)CC ZINC000796837055 586114436 /nfs/dbraw/zinc/11/44/36/586114436.db2.gz MNKCLEWXOBGAHE-TZMCWYRMSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCCCCCCOC(=O)[C@](C)(C#N)CC ZINC000796837496 586114545 /nfs/dbraw/zinc/11/45/45/586114545.db2.gz AMWMSCWLKSKHMS-AWEZNQCLSA-N 0 0 239.359 3.830 20 30 BHEDRN CCCCCCCCOC(=O)[C@@](C)(C#N)CC ZINC000796837497 586114475 /nfs/dbraw/zinc/11/44/75/586114475.db2.gz AMWMSCWLKSKHMS-CQSZACIVSA-N 0 0 239.359 3.830 20 30 BHEDRN CCC[C@](C)(CC)C(=O)OCC(C)(C)CC#N ZINC000796845505 586114647 /nfs/dbraw/zinc/11/46/47/586114647.db2.gz UTPGKFYZSZLLQK-AWEZNQCLSA-N 0 0 239.359 3.686 20 30 BHEDRN CCC[C@@](C)(CC)C(=O)OCC(C)(C)CC#N ZINC000796845507 586114636 /nfs/dbraw/zinc/11/46/36/586114636.db2.gz UTPGKFYZSZLLQK-CQSZACIVSA-N 0 0 239.359 3.686 20 30 BHEDRN C=CCC(C)(C)C(=O)OCCSC(C)(C)C ZINC000796877343 586116034 /nfs/dbraw/zinc/11/60/34/586116034.db2.gz GROSQTKKZOZHQW-UHFFFAOYSA-N 0 0 244.400 3.664 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)[C@H]1CCC(F)(F)C1 ZINC000796886040 586116057 /nfs/dbraw/zinc/11/60/57/586116057.db2.gz WKYOEXCUPDLPMO-CMPLNLGQSA-N 0 0 246.297 3.567 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)[C@H]1CCC(F)(F)C1 ZINC000796886041 586116190 /nfs/dbraw/zinc/11/61/90/586116190.db2.gz WKYOEXCUPDLPMO-JQWIXIFHSA-N 0 0 246.297 3.567 20 30 BHEDRN C=C[C@@](C)(CC)COC(=O)[C@@H]1CCC(F)(F)C1 ZINC000796886042 586116167 /nfs/dbraw/zinc/11/61/67/586116167.db2.gz WKYOEXCUPDLPMO-PWSUYJOCSA-N 0 0 246.297 3.567 20 30 BHEDRN C=C[C@](C)(CC)COC(=O)[C@@H]1CCC(F)(F)C1 ZINC000796886043 586116219 /nfs/dbraw/zinc/11/62/19/586116219.db2.gz WKYOEXCUPDLPMO-ZYHUDNBSSA-N 0 0 246.297 3.567 20 30 BHEDRN C=CCC(C)(C)C(=O)OCC(C)(C)CC ZINC000796936235 586117459 /nfs/dbraw/zinc/11/74/59/586117459.db2.gz VGEDKVOGKXYAKJ-UHFFFAOYSA-N 0 0 212.333 3.568 20 30 BHEDRN C=CCC(C)(C)C(=O)OCc1ccc(C)s1 ZINC000796965168 586117965 /nfs/dbraw/zinc/11/79/65/586117965.db2.gz XFLJURGZTNXEPT-UHFFFAOYSA-N 0 0 238.352 3.702 20 30 BHEDRN C=CCCC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000796975482 586118103 /nfs/dbraw/zinc/11/81/03/586118103.db2.gz DCTVTEUEZGZGJN-CYBMUJFWSA-N 0 0 237.318 3.538 20 30 BHEDRN C=CCCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000796975484 586118128 /nfs/dbraw/zinc/11/81/28/586118128.db2.gz DCTVTEUEZGZGJN-ZDUSSCGKSA-N 0 0 237.318 3.538 20 30 BHEDRN C=CCC(C)(C)C(=O)Oc1ccc(F)c(C)c1 ZINC000796980365 586118379 /nfs/dbraw/zinc/11/83/79/586118379.db2.gz GDSJKIBATGNTBI-UHFFFAOYSA-N 0 0 236.286 3.642 20 30 BHEDRN C=CCC(C)(C)C(=O)O[C@H](C)CCCC ZINC000796980575 586118363 /nfs/dbraw/zinc/11/83/63/586118363.db2.gz FBBOEPOVQLJDRL-LLVKDONJSA-N 0 0 212.333 3.711 20 30 BHEDRN C=CCC(C)(C)C(=O)O[C@@H](C)CCCC ZINC000796980576 586118229 /nfs/dbraw/zinc/11/82/29/586118229.db2.gz FBBOEPOVQLJDRL-NSHDSACASA-N 0 0 212.333 3.711 20 30 BHEDRN C=CCC(C)(C)C(=O)O[C@H](CC)CCC ZINC000796984046 586118584 /nfs/dbraw/zinc/11/85/84/586118584.db2.gz SQGBMUPFGQWTJB-LLVKDONJSA-N 0 0 212.333 3.711 20 30 BHEDRN C=CCC(C)(C)C(=O)O[C@@H](CC)CCC ZINC000796984047 586118400 /nfs/dbraw/zinc/11/84/00/586118400.db2.gz SQGBMUPFGQWTJB-NSHDSACASA-N 0 0 212.333 3.711 20 30 BHEDRN C=CCC(C)(C)C(=O)Oc1ccc(F)cc1C ZINC000796997184 586118639 /nfs/dbraw/zinc/11/86/39/586118639.db2.gz PZDBNBTYBARDEB-UHFFFAOYSA-N 0 0 236.286 3.642 20 30 BHEDRN Cc1oc(C(C)C)cc1C(=O)OCCCCC#N ZINC000797025143 586119203 /nfs/dbraw/zinc/11/92/03/586119203.db2.gz JDMBXIYSKNMGNV-UHFFFAOYSA-N 0 0 249.310 3.562 20 30 BHEDRN C=CCC(C)(C)C(=O)O[C@H](C)c1cnccc1C ZINC000797031371 586119330 /nfs/dbraw/zinc/11/93/30/586119330.db2.gz FPZASDXEUFTYBJ-GFCCVEGCSA-N 0 0 247.338 3.597 20 30 BHEDRN C=CCC(C)(C)C(=O)O[C@@H](C)c1cnccc1C ZINC000797031372 586119236 /nfs/dbraw/zinc/11/92/36/586119236.db2.gz FPZASDXEUFTYBJ-LBPRGKRZSA-N 0 0 247.338 3.597 20 30 BHEDRN C=CCC(C)(C)C(=O)OCc1sccc1C ZINC000797038906 586119306 /nfs/dbraw/zinc/11/93/06/586119306.db2.gz HKUIBNVTANCAJB-UHFFFAOYSA-N 0 0 238.352 3.702 20 30 BHEDRN C=CCC(C)(C)C(=O)Oc1cccc(C)c1F ZINC000797056509 712425207 /nfs/dbraw/zinc/42/52/07/712425207.db2.gz VQBSTUBQNIIYOH-UHFFFAOYSA-N 0 0 236.286 3.642 20 30 BHEDRN C=CCC(C)(C)C(=O)OCCCCCSC ZINC000797076664 586119838 /nfs/dbraw/zinc/11/98/38/586119838.db2.gz LOAGEDXQFDORHQ-UHFFFAOYSA-N 0 0 244.400 3.665 20 30 BHEDRN C=C(C)CCOC(=O)c1sccc1Cl ZINC000797079639 586119835 /nfs/dbraw/zinc/11/98/35/586119835.db2.gz QLRVEKFTDBCTGJ-UHFFFAOYSA-N 0 0 230.716 3.525 20 30 BHEDRN C=CCCCOC(=O)c1sccc1Cl ZINC000797086829 586119998 /nfs/dbraw/zinc/11/99/98/586119998.db2.gz HRDYGWXACFWFAJ-UHFFFAOYSA-N 0 0 230.716 3.525 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)OCC(C1CC1)C1CC1 ZINC000797107392 586120357 /nfs/dbraw/zinc/12/03/57/586120357.db2.gz QLVAMUJJPBEOHO-LLVKDONJSA-N 0 0 236.355 3.568 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)OCC(C1CC1)C1CC1 ZINC000797107393 586120320 /nfs/dbraw/zinc/12/03/20/586120320.db2.gz QLVAMUJJPBEOHO-NSHDSACASA-N 0 0 236.355 3.568 20 30 BHEDRN C#CCCCCCC(=O)OCC(C1CC1)C1CC1 ZINC000797107691 644817423 /nfs/dbraw/zinc/81/74/23/644817423.db2.gz OJOUTZKYOGKNJV-UHFFFAOYSA-N 0 0 248.366 3.550 20 30 BHEDRN C=C[C@@H](C)OC(=O)c1ccc(C(C)(F)F)cc1 ZINC000797127827 586120795 /nfs/dbraw/zinc/12/07/95/586120795.db2.gz DFASOOUGZLOMPA-SECBINFHSA-N 0 0 240.249 3.530 20 30 BHEDRN C=C[C@H](C)OC(=O)c1ccc(C(C)(F)F)cc1 ZINC000797127828 586120786 /nfs/dbraw/zinc/12/07/86/586120786.db2.gz DFASOOUGZLOMPA-VIFPVBQESA-N 0 0 240.249 3.530 20 30 BHEDRN C=CCC(C)(C)C(=O)OC[C@@](C)(C=C)CC ZINC000797143574 586121269 /nfs/dbraw/zinc/12/12/69/586121269.db2.gz VCBVCJVKJMMILU-AWEZNQCLSA-N 0 0 224.344 3.734 20 30 BHEDRN C=CCC(C)(C)C(=O)OC[C@](C)(C=C)CC ZINC000797143576 586121148 /nfs/dbraw/zinc/12/11/48/586121148.db2.gz VCBVCJVKJMMILU-CQSZACIVSA-N 0 0 224.344 3.734 20 30 BHEDRN CC[C@](C)(C#N)C(=O)O[C@@H](C)c1ccc(C)cc1 ZINC000797160405 586121855 /nfs/dbraw/zinc/12/18/55/586121855.db2.gz KJVORKNMIAAUKK-SWLSCSKDSA-N 0 0 245.322 3.539 20 30 BHEDRN CC[C@@](C)(C#N)C(=O)O[C@@H](C)c1ccc(C)cc1 ZINC000797160406 586121883 /nfs/dbraw/zinc/12/18/83/586121883.db2.gz KJVORKNMIAAUKK-WFASDCNBSA-N 0 0 245.322 3.539 20 30 BHEDRN CCCCCCCC(=O)OCCC(C)(F)F ZINC000797207150 586123326 /nfs/dbraw/zinc/12/33/26/586123326.db2.gz JJDWZWSMCCAORH-UHFFFAOYSA-N 0 0 236.302 3.935 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1sccc1Cl ZINC000797210276 586123438 /nfs/dbraw/zinc/12/34/38/586123438.db2.gz KQMCJZFHMDIKKP-MRVPVSSYSA-N 0 0 244.743 3.913 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1sccc1Cl ZINC000797210279 586123503 /nfs/dbraw/zinc/12/35/03/586123503.db2.gz KQMCJZFHMDIKKP-QMMMGPOBSA-N 0 0 244.743 3.913 20 30 BHEDRN C=CCC[C@H](C)OC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000797212638 586123412 /nfs/dbraw/zinc/12/34/12/586123412.db2.gz SMVFEKFYCGNZSK-AEGPPILISA-N 0 0 244.334 3.688 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000797212640 583916684 /nfs/dbraw/zinc/91/66/84/583916684.db2.gz SMVFEKFYCGNZSK-VHDGCEQUSA-N 0 0 244.334 3.688 20 30 BHEDRN C=CCC(C)(C)C(=O)OCC(C1CC1)C1CC1 ZINC000797213129 586123383 /nfs/dbraw/zinc/12/33/83/586123383.db2.gz MGYKLZVSTGTOQF-UHFFFAOYSA-N 0 0 236.355 3.568 20 30 BHEDRN C=CCC[C@@H](C)OC(=O)c1csc(C)c1 ZINC000797213717 586123366 /nfs/dbraw/zinc/12/33/66/586123366.db2.gz XCUOPUQBDMFDEG-SECBINFHSA-N 0 0 224.325 3.568 20 30 BHEDRN C=CCC[C@H](C)OC(=O)c1csc(C)c1 ZINC000797213718 586123476 /nfs/dbraw/zinc/12/34/76/586123476.db2.gz XCUOPUQBDMFDEG-VIFPVBQESA-N 0 0 224.325 3.568 20 30 BHEDRN C=C[C@H](CC)OC(=O)c1sccc1Cl ZINC000797228830 586124333 /nfs/dbraw/zinc/12/43/33/586124333.db2.gz UMBSCKWHVMSJDT-SSDOTTSWSA-N 0 0 230.716 3.523 20 30 BHEDRN C=C[C@@H](CC)OC(=O)c1sccc1Cl ZINC000797228831 586124453 /nfs/dbraw/zinc/12/44/53/586124453.db2.gz UMBSCKWHVMSJDT-ZETCQYMHSA-N 0 0 230.716 3.523 20 30 BHEDRN C=CCC(C)(C)C(=O)OCC1(C(C)C)CC1 ZINC000797230208 586124496 /nfs/dbraw/zinc/12/44/96/586124496.db2.gz AQEBHBSWORXINL-UHFFFAOYSA-N 0 0 224.344 3.568 20 30 BHEDRN C=CCCC(=O)O[C@@H]1CCCc2ccc(F)cc21 ZINC000797232443 586124345 /nfs/dbraw/zinc/12/43/45/586124345.db2.gz CNVHHPBCYKMRRC-CQSZACIVSA-N 0 0 248.297 3.713 20 30 BHEDRN C=CCC(C)(C)C(=O)OC[C@H]1CCC(F)(F)C1 ZINC000797234483 583920763 /nfs/dbraw/zinc/92/07/63/583920763.db2.gz OEOICYJXEBOZEH-JTQLQIEISA-N 0 0 246.297 3.567 20 30 BHEDRN C=CCC(C)(C)C(=O)OC[C@@H]1CCC(F)(F)C1 ZINC000797234622 583920710 /nfs/dbraw/zinc/92/07/10/583920710.db2.gz OEOICYJXEBOZEH-SNVBAGLBSA-N 0 0 246.297 3.567 20 30 BHEDRN C=CCCC(=O)O[C@H]1CCCc2ccc(F)cc21 ZINC000797239616 712425607 /nfs/dbraw/zinc/42/56/07/712425607.db2.gz CNVHHPBCYKMRRC-AWEZNQCLSA-N 0 0 248.297 3.713 20 30 BHEDRN 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C=C[C@@H](OC(=O)[C@H](C)CC(=C)C)C(C)(C)C ZINC000798905291 586153496 /nfs/dbraw/zinc/15/34/96/586153496.db2.gz QNISSJSFXFXOFW-VXGBXAGGSA-N 0 0 224.344 3.733 20 30 BHEDRN C=C[C@@H](OC(=O)c1ccccc1F)C(C)(C)C ZINC000798905849 586153428 /nfs/dbraw/zinc/15/34/28/586153428.db2.gz WXUKVUQYKNSYPM-GFCCVEGCSA-N 0 0 236.286 3.583 20 30 BHEDRN C=C[C@H](OC(=O)c1ccccc1F)C(C)(C)C ZINC000798905850 586153415 /nfs/dbraw/zinc/15/34/15/586153415.db2.gz WXUKVUQYKNSYPM-LBPRGKRZSA-N 0 0 236.286 3.583 20 30 BHEDRN C=C[C@H](OC(=O)CC(C)(C)C)C(C)(C)C ZINC000798905874 586153499 /nfs/dbraw/zinc/15/34/99/586153499.db2.gz XPLNGCSJJIBERG-JTQLQIEISA-N 0 0 212.333 3.567 20 30 BHEDRN C=C[C@@H](OC(=O)CC(C)(C)C)C(C)(C)C ZINC000798905875 586153594 /nfs/dbraw/zinc/15/35/94/586153594.db2.gz XPLNGCSJJIBERG-SNVBAGLBSA-N 0 0 212.333 3.567 20 30 BHEDRN C=C[C@H](OC(=O)CSC(C)(C)C)C(C)(C)C ZINC000798906003 586153395 /nfs/dbraw/zinc/15/33/95/586153395.db2.gz FSHKNRFRDFVVGX-JTQLQIEISA-N 0 0 244.400 3.662 20 30 BHEDRN C=C[C@@H](OC(=O)CSC(C)(C)C)C(C)(C)C ZINC000798906004 586153308 /nfs/dbraw/zinc/15/33/08/586153308.db2.gz FSHKNRFRDFVVGX-SNVBAGLBSA-N 0 0 244.400 3.662 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)OC[C@@H]1CCC(F)(F)C1 ZINC000798916694 586153921 /nfs/dbraw/zinc/15/39/21/586153921.db2.gz FRCXEKCGEDNQFH-GHMZBOCLSA-N 0 0 246.297 3.567 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)OC[C@H]1CCC(F)(F)C1 ZINC000798916696 586153722 /nfs/dbraw/zinc/15/37/22/586153722.db2.gz FRCXEKCGEDNQFH-MNOVXSKESA-N 0 0 246.297 3.567 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)OC[C@H]1CCC(F)(F)C1 ZINC000798916698 586153675 /nfs/dbraw/zinc/15/36/75/586153675.db2.gz FRCXEKCGEDNQFH-QWRGUYRKSA-N 0 0 246.297 3.567 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)OC[C@@H]1CCC(F)(F)C1 ZINC000798916699 583950488 /nfs/dbraw/zinc/95/04/88/583950488.db2.gz FRCXEKCGEDNQFH-WDEREUQCSA-N 0 0 246.297 3.567 20 30 BHEDRN CC(C)C[C@@H](C)CN=Nc1cccc([N+](=O)[O-])c1 ZINC000799103992 586156669 /nfs/dbraw/zinc/15/66/69/586156669.db2.gz JHDBTKVRSASJIG-LLVKDONJSA-N 0 0 249.314 3.675 20 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20 30 BHEDRN CC(C)C[C@H](C)CN=Nc1ccccc1[N+](=O)[O-] ZINC000799105186 586156216 /nfs/dbraw/zinc/15/62/16/586156216.db2.gz OJVPLGYZZMPWFM-NSHDSACASA-N 0 0 249.314 3.675 20 30 BHEDRN CC(C)C[C@@H](C)CN=Nc1ccccc1 ZINC000799105289 586156445 /nfs/dbraw/zinc/15/64/45/586156445.db2.gz SCNSNYUDHCARCT-GFCCVEGCSA-N 0 0 204.317 3.767 20 30 BHEDRN CC(C)C[C@H](C)CN=Nc1ccccc1 ZINC000799105290 586156417 /nfs/dbraw/zinc/15/64/17/586156417.db2.gz SCNSNYUDHCARCT-LBPRGKRZSA-N 0 0 204.317 3.767 20 30 BHEDRN c1ccc(N=NCCC2CCCCCC2)nc1 ZINC000799106086 586156745 /nfs/dbraw/zinc/15/67/45/586156745.db2.gz VLXDHEIQTJBOSX-UHFFFAOYSA-N 0 0 231.343 3.840 20 30 BHEDRN CC(C)C[C@@H](C)C=NOCc1ccccc1 ZINC000799106418 586156736 /nfs/dbraw/zinc/15/67/36/586156736.db2.gz GTJIKYHBOBIMNN-CYBMUJFWSA-N 0 0 219.328 3.871 20 30 BHEDRN CC(C)C[C@H](C)C=NOCc1ccccc1 ZINC000799106419 586156527 /nfs/dbraw/zinc/15/65/27/586156527.db2.gz GTJIKYHBOBIMNN-ZDUSSCGKSA-N 0 0 219.328 3.871 20 30 BHEDRN COc1cccc(N=NC[C@H](C)CC(C)C)c1 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/nfs/dbraw/zinc/15/72/31/586157231.db2.gz WFRWKJNZVUXZIA-LBPRGKRZSA-N 0 0 229.327 3.638 20 30 BHEDRN Fc1ccc(N=NCCC2CCCCCC2)nc1 ZINC000799110527 586157029 /nfs/dbraw/zinc/15/70/29/586157029.db2.gz ZEYHMUHUTBIYDH-UHFFFAOYSA-N 0 0 249.333 3.979 20 30 BHEDRN C(CC1CCCCCC1)=NO[C@H]1CCCCO1 ZINC000799111255 586156979 /nfs/dbraw/zinc/15/69/79/586156979.db2.gz FOXCYRHUTXTRQY-AWEZNQCLSA-N 0 0 239.359 3.876 20 30 BHEDRN C(CC1CCCCCC1)=NO[C@@H]1CCCCO1 ZINC000799111257 586156915 /nfs/dbraw/zinc/15/69/15/586156915.db2.gz FOXCYRHUTXTRQY-CQSZACIVSA-N 0 0 239.359 3.876 20 30 BHEDRN C(CC1CCCCCC1)=NOCc1cccnc1 ZINC000799111664 586156946 /nfs/dbraw/zinc/15/69/46/586156946.db2.gz LEWKGPWKRLBRSN-UHFFFAOYSA-N 0 0 246.354 3.945 20 30 BHEDRN COc1ccc(N=NC[C@H](C)CC(C)C)cc1 ZINC000799111932 586156898 /nfs/dbraw/zinc/15/68/98/586156898.db2.gz NISDSCHTDGQTOB-GFCCVEGCSA-N 0 0 234.343 3.775 20 30 BHEDRN COc1ccc(N=NC[C@@H](C)CC(C)C)cc1 ZINC000799111933 586156677 /nfs/dbraw/zinc/15/66/77/586156677.db2.gz 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FC(F)CON=CCC1CCCCCC1 ZINC000799113653 586157529 /nfs/dbraw/zinc/15/75/29/586157529.db2.gz SPXVEDCUKDHQDF-UHFFFAOYSA-N 0 0 219.275 3.614 20 30 BHEDRN CC(C)C[C@@H](C)C=NOCCC(F)(F)F ZINC000799113780 583955702 /nfs/dbraw/zinc/95/57/02/583955702.db2.gz VBIZVTHBYDSCBL-SECBINFHSA-N 0 0 225.254 3.623 20 30 BHEDRN CC(C)C[C@H](C)C=NOCCC(F)(F)F ZINC000799113782 583955582 /nfs/dbraw/zinc/95/55/82/583955582.db2.gz VBIZVTHBYDSCBL-VIFPVBQESA-N 0 0 225.254 3.623 20 30 BHEDRN CSCCON=CCC1CCCCCC1 ZINC000799114007 586157468 /nfs/dbraw/zinc/15/74/68/586157468.db2.gz OKXQUJIXTZSUBJ-UHFFFAOYSA-N 0 0 229.389 3.712 20 30 BHEDRN COc1ccccc1CON=C(C)C1CCCC1 ZINC000799116960 586158266 /nfs/dbraw/zinc/15/82/66/586158266.db2.gz DLYUYIBXWZLVOE-UHFFFAOYSA-N 0 0 247.338 3.778 20 30 BHEDRN CCCCCC=NOCc1ccccc1OC ZINC000799117007 586158631 /nfs/dbraw/zinc/15/86/31/586158631.db2.gz GQIFWTMSFYWPQT-UHFFFAOYSA-N 0 0 235.327 3.778 20 30 BHEDRN COc1ccccc1CON=C1C=C(C)CCC1 ZINC000799117059 586158635 /nfs/dbraw/zinc/15/86/35/586158635.db2.gz HSHMGCHDHPWEKY-UHFFFAOYSA-N 0 0 245.322 3.698 20 30 BHEDRN COc1ccccc1CON=CCC(C)(C)C ZINC000799117296 586158264 /nfs/dbraw/zinc/15/82/64/586158264.db2.gz IPWHIYYITUTBJA-UHFFFAOYSA-N 0 0 235.327 3.634 20 30 BHEDRN COc1ccccc1CON=C(C(C)C)C1CC1 ZINC000799117384 586158436 /nfs/dbraw/zinc/15/84/36/586158436.db2.gz JWWYUJQORFNJPO-UHFFFAOYSA-N 0 0 247.338 3.634 20 30 BHEDRN C=CC[C@@H](C)C(C)=NOCc1ccccc1OC ZINC000799117446 586158507 /nfs/dbraw/zinc/15/85/07/586158507.db2.gz LQYZULVICQDJJN-GFCCVEGCSA-N 0 0 247.338 3.800 20 30 BHEDRN C=CC[C@H](C)C(C)=NOCc1ccccc1OC ZINC000799117448 586158280 /nfs/dbraw/zinc/15/82/80/586158280.db2.gz LQYZULVICQDJJN-LBPRGKRZSA-N 0 0 247.338 3.800 20 30 BHEDRN COc1ccccc1CON=C1CCCC1(C)C ZINC000799117550 586158644 /nfs/dbraw/zinc/15/86/44/586158644.db2.gz KFPOQCAJVXSONR-UHFFFAOYSA-N 0 0 247.338 3.778 20 30 BHEDRN COc1ccccc1CON=C1CCC(C)(C)C1 ZINC000799117617 586158328 /nfs/dbraw/zinc/15/83/28/586158328.db2.gz MMAMKEXTQHXAHG-UHFFFAOYSA-N 0 0 247.338 3.778 20 30 BHEDRN CC[C@@H](C)C(C)=NOCc1ccccc1OC ZINC000799117734 586158617 /nfs/dbraw/zinc/15/86/17/586158617.db2.gz OEVUISXIHBLOGK-LLVKDONJSA-N 0 0 235.327 3.634 20 30 BHEDRN CC[C@H](C)C(C)=NOCc1ccccc1OC ZINC000799117736 586158215 /nfs/dbraw/zinc/15/82/15/586158215.db2.gz OEVUISXIHBLOGK-NSHDSACASA-N 0 0 235.327 3.634 20 30 BHEDRN COc1ccccc1CON=C1CCC[C@@H](C)C1 ZINC000799117945 586158297 /nfs/dbraw/zinc/15/82/97/586158297.db2.gz PQHFVLHJGYGVGC-GFCCVEGCSA-N 0 0 247.338 3.778 20 30 BHEDRN COc1ccccc1CON=C1CCC[C@H](C)C1 ZINC000799117946 586158201 /nfs/dbraw/zinc/15/82/01/586158201.db2.gz PQHFVLHJGYGVGC-LBPRGKRZSA-N 0 0 247.338 3.778 20 30 BHEDRN COc1ccccc1CON=C(C)CCC1CC1 ZINC000799117949 586158289 /nfs/dbraw/zinc/15/82/89/586158289.db2.gz PSDBVPOSBALGSK-UHFFFAOYSA-N 0 0 247.338 3.778 20 30 BHEDRN COc1ccccc1CON=C(C)CC1CCC1 ZINC000799118055 586158494 /nfs/dbraw/zinc/15/84/94/586158494.db2.gz VPEFPGURPMQFSK-UHFFFAOYSA-N 0 0 247.338 3.778 20 30 BHEDRN COc1ccccc1CON=C1CC2(CCC2)C1 ZINC000799118092 583956700 /nfs/dbraw/zinc/95/67/00/583956700.db2.gz WQZHCMZGEBSCMM-UHFFFAOYSA-N 0 0 245.322 3.532 20 30 BHEDRN CCC(C=NOCc1ccccc1OC)CC ZINC000799118125 586158633 /nfs/dbraw/zinc/15/86/33/586158633.db2.gz YNFUAHULWORUDK-UHFFFAOYSA-N 0 0 235.327 3.634 20 30 BHEDRN COc1ccccc1CON=C1CCCCCC1 ZINC000799118146 586158273 /nfs/dbraw/zinc/15/82/73/586158273.db2.gz SPKVCZAVTCPHCW-UHFFFAOYSA-N 0 0 247.338 3.922 20 30 BHEDRN CC[C@@H]1CCCC1=NOCc1ccccc1OC ZINC000799118176 586158212 /nfs/dbraw/zinc/15/82/12/586158212.db2.gz ZPVWXBXQMVLDDR-GFCCVEGCSA-N 0 0 247.338 3.778 20 30 BHEDRN CC[C@H]1CCCC1=NOCc1ccccc1OC ZINC000799118177 586158593 /nfs/dbraw/zinc/15/85/93/586158593.db2.gz ZPVWXBXQMVLDDR-LBPRGKRZSA-N 0 0 247.338 3.778 20 30 BHEDRN C=CCCC(CC)=NOCc1ccccc1OC ZINC000799118204 586158230 /nfs/dbraw/zinc/15/82/30/586158230.db2.gz UUUZNQUZMRHXOO-UHFFFAOYSA-N 0 0 247.338 3.944 20 30 BHEDRN COc1ccccc1CON=C1CCCCC1 ZINC000799118338 586158183 /nfs/dbraw/zinc/15/81/83/586158183.db2.gz AKMIOZCHNQUGNC-UHFFFAOYSA-N 0 0 233.311 3.532 20 30 BHEDRN CCC(=NOCc1ccccc1OC)C(C)C ZINC000799118432 586158978 /nfs/dbraw/zinc/15/89/78/586158978.db2.gz GDEPDAUPHPCMSX-UHFFFAOYSA-N 0 0 235.327 3.634 20 30 BHEDRN C=CCCC(C)=NOCc1ccccc1OC ZINC000799118561 586159368 /nfs/dbraw/zinc/15/93/68/586159368.db2.gz LILYTOXGKDGCKK-UHFFFAOYSA-N 0 0 233.311 3.554 20 30 BHEDRN COc1ccccc1CON=C[C@@H]1CC=CCC1 ZINC000799118586 586159345 /nfs/dbraw/zinc/15/93/45/586159345.db2.gz MFWCCHYHSFITBR-CYBMUJFWSA-N 0 0 245.322 3.554 20 30 BHEDRN COc1ccccc1CON=C[C@H]1CC=CCC1 ZINC000799118587 586159350 /nfs/dbraw/zinc/15/93/50/586159350.db2.gz MFWCCHYHSFITBR-ZDUSSCGKSA-N 0 0 245.322 3.554 20 30 BHEDRN CCCCC(C)=NOCc1ccccc1OC ZINC000799118763 586159121 /nfs/dbraw/zinc/15/91/21/586159121.db2.gz UAJGZYIDVAIINY-UHFFFAOYSA-N 0 0 235.327 3.778 20 30 BHEDRN COc1ccccc1CON=C[C@H](C)CC(C)C ZINC000799118861 586159017 /nfs/dbraw/zinc/15/90/17/586159017.db2.gz YDLCCSWAXFQMDS-CYBMUJFWSA-N 0 0 249.354 3.880 20 30 BHEDRN COc1ccccc1CON=C[C@@H](C)CC(C)C ZINC000799118862 586159137 /nfs/dbraw/zinc/15/91/37/586159137.db2.gz YDLCCSWAXFQMDS-ZDUSSCGKSA-N 0 0 249.354 3.880 20 30 BHEDRN CCCC(CC)=NOCc1ccccc1OC ZINC000799118944 586159414 /nfs/dbraw/zinc/15/94/14/586159414.db2.gz BGOYUOAMDYBRQE-UHFFFAOYSA-N 0 0 235.327 3.778 20 30 BHEDRN COc1ccccc1CON=CC1CCCCC1 ZINC000799119468 586159081 /nfs/dbraw/zinc/15/90/81/586159081.db2.gz MPFKNAUICRUUBQ-UHFFFAOYSA-N 0 0 247.338 3.778 20 30 BHEDRN COc1ccccc1CON=C1CCCC[C@H]1C ZINC000799119600 586158964 /nfs/dbraw/zinc/15/89/64/586158964.db2.gz OBFBRQPHMFJSFR-GFCCVEGCSA-N 0 0 247.338 3.778 20 30 BHEDRN COc1ccccc1CON=C1CCCC[C@@H]1C ZINC000799119601 586159390 /nfs/dbraw/zinc/15/93/90/586159390.db2.gz OBFBRQPHMFJSFR-LBPRGKRZSA-N 0 0 247.338 3.778 20 30 BHEDRN CCC[C@@H](C)C=NOCc1ccccc1OC ZINC000799120595 586158930 /nfs/dbraw/zinc/15/89/30/586158930.db2.gz YEUHTWDSWNAGCT-GFCCVEGCSA-N 0 0 235.327 3.634 20 30 BHEDRN CCC[C@H](C)C=NOCc1ccccc1OC ZINC000799120597 586158998 /nfs/dbraw/zinc/15/89/98/586158998.db2.gz YEUHTWDSWNAGCT-LBPRGKRZSA-N 0 0 235.327 3.634 20 30 BHEDRN C#CCCN(C[C@H](C)CC(C)C)CC(F)(F)F ZINC000799165470 586163735 /nfs/dbraw/zinc/16/37/35/586163735.db2.gz XMVGXGNWUCNCDU-GFCCVEGCSA-N 0 0 249.320 3.556 20 30 BHEDRN C#CCCN(C[C@@H](C)CC(C)C)CC(F)(F)F ZINC000799165476 586164265 /nfs/dbraw/zinc/16/42/65/586164265.db2.gz XMVGXGNWUCNCDU-LBPRGKRZSA-N 0 0 249.320 3.556 20 30 BHEDRN CC(C)(C)CSCc1ccc(OCC#N)cc1 ZINC000799306001 586170465 /nfs/dbraw/zinc/17/04/65/586170465.db2.gz DZAPIPJVUXOQGB-UHFFFAOYSA-N 0 0 249.379 3.868 20 30 BHEDRN C=CC[C@H](CC)Nc1ncnc2sc(C)cc21 ZINC000799323156 586172037 /nfs/dbraw/zinc/17/20/37/586172037.db2.gz SNENQSIXMDLAAO-JTQLQIEISA-N 0 0 247.367 3.766 20 30 BHEDRN C=CC[C@@H](CC)Nc1ncnc2sc(C)cc21 ZINC000799323157 586172027 /nfs/dbraw/zinc/17/20/27/586172027.db2.gz SNENQSIXMDLAAO-SNVBAGLBSA-N 0 0 247.367 3.766 20 30 BHEDRN CCCCCC(=O)Oc1ccc(C#N)cc1CC ZINC000799444742 586176264 /nfs/dbraw/zinc/17/62/64/586176264.db2.gz VRQMPCDAKKQDDF-UHFFFAOYSA-N 0 0 245.322 3.606 20 30 BHEDRN C#CCCCC(=O)Nc1cc(C)c(Cl)c(C)c1 ZINC000799451534 586176138 /nfs/dbraw/zinc/17/61/38/586176138.db2.gz YNGNYCKMVMAKAY-UHFFFAOYSA-N 0 0 249.741 3.699 20 30 BHEDRN CC(=NNc1ccccc1)c1coc(C(C)C)n1 ZINC000799464353 586177696 /nfs/dbraw/zinc/17/76/96/586177696.db2.gz XITBVPMVHWGIPT-UHFFFAOYSA-N 0 0 243.310 3.634 20 30 BHEDRN CON=C(C)CC(C)(C)c1c[nH]c2ccccc21 ZINC000799476171 586177919 /nfs/dbraw/zinc/17/79/19/586177919.db2.gz YHGNAZPTAWJUFV-UHFFFAOYSA-N 0 0 244.338 3.858 20 30 BHEDRN CC1(C)CCC[C@H]1OC(=O)C1(C#N)CCCCC1 ZINC000799479112 586178252 /nfs/dbraw/zinc/17/82/52/586178252.db2.gz JJGBQCPICDYARV-GFCCVEGCSA-N 0 0 249.354 3.582 20 30 BHEDRN CC1(C)CCC[C@@H]1OC(=O)C1(C#N)CCCCC1 ZINC000799479114 586178033 /nfs/dbraw/zinc/17/80/33/586178033.db2.gz JJGBQCPICDYARV-LBPRGKRZSA-N 0 0 249.354 3.582 20 30 BHEDRN CCC(CC)NN=C1CCC(C(F)F)CC1 ZINC000799480767 586178546 /nfs/dbraw/zinc/17/85/46/586178546.db2.gz VHSDIVIIDYSJTI-UHFFFAOYSA-N 0 0 232.318 3.576 20 30 BHEDRN CCC(CC)CNN=C1CCC(C(F)F)CC1 ZINC000799484385 586179098 /nfs/dbraw/zinc/17/90/98/586179098.db2.gz CPQHNAQSVKOJIC-UHFFFAOYSA-N 0 0 246.345 3.824 20 30 BHEDRN FC(F)C1CCC(N=NC2CCCCC2)CC1 ZINC000799484675 586179087 /nfs/dbraw/zinc/17/90/87/586179087.db2.gz AJNFBCPLUGDHAI-UHFFFAOYSA-N 0 0 244.329 3.720 20 30 BHEDRN FC(F)C1CCC(=NOC2CCCC2)CC1 ZINC000799485551 586179534 /nfs/dbraw/zinc/17/95/34/586179534.db2.gz RJSHZROJEZHMKL-UHFFFAOYSA-N 0 0 231.286 3.757 20 30 BHEDRN CC(C)(C)CCNN=C1CCC(C(F)F)CC1 ZINC000799485750 586179343 /nfs/dbraw/zinc/17/93/43/586179343.db2.gz VDJLECBWMRZHPP-UHFFFAOYSA-N 0 0 246.345 3.824 20 30 BHEDRN CCc1cccc(C)c1N=NC1CCCC1 ZINC000799491176 586180671 /nfs/dbraw/zinc/18/06/71/586180671.db2.gz DFOLHLUZEPVPNR-UHFFFAOYSA-N 0 0 216.328 3.899 20 30 BHEDRN CCc1cccc(C)c1N=NCC(C)C ZINC000799491430 586180504 /nfs/dbraw/zinc/18/05/04/586180504.db2.gz FVYHLPKYNZHNOC-UHFFFAOYSA-N 0 0 204.317 3.611 20 30 BHEDRN CCc1cccc(C)c1N=NC[C@H](C)CCC#N ZINC000799492334 586180662 /nfs/dbraw/zinc/18/06/62/586180662.db2.gz PHNAFANFBOYINR-GFCCVEGCSA-N 0 0 243.354 3.895 20 30 BHEDRN CCc1cccc(C)c1N=NC[C@@H](C)CCC#N ZINC000799492336 586180744 /nfs/dbraw/zinc/18/07/44/586180744.db2.gz PHNAFANFBOYINR-LBPRGKRZSA-N 0 0 243.354 3.895 20 30 BHEDRN CCc1cccc(C)c1N=NC(C)[C@@H]1CCCO1 ZINC000799493029 586180857 /nfs/dbraw/zinc/18/08/57/586180857.db2.gz VVCZZHREYFQICT-AWEZNQCLSA-N 0 0 246.354 3.524 20 30 BHEDRN CCc1cccc(C)c1N=NC(C)[C@H]1CCCO1 ZINC000799493031 586180773 /nfs/dbraw/zinc/18/07/73/586180773.db2.gz VVCZZHREYFQICT-CQSZACIVSA-N 0 0 246.354 3.524 20 30 BHEDRN CCc1cccc(C)c1N=NC1CCCOCC1 ZINC000799493400 586180513 /nfs/dbraw/zinc/18/05/13/586180513.db2.gz AHAKQOCTBLYOFH-UHFFFAOYSA-N 0 0 246.354 3.526 20 30 BHEDRN CCc1cccc(C)c1N=NC[C@H]1CCSC1 ZINC000799493451 586180460 /nfs/dbraw/zinc/18/04/60/586180460.db2.gz CABCUZWQWDGLBV-GFCCVEGCSA-N 0 0 248.395 3.708 20 30 BHEDRN CCc1cccc(C)c1N=NC[C@@H]1CCSC1 ZINC000799493452 583961670 /nfs/dbraw/zinc/96/16/70/583961670.db2.gz CABCUZWQWDGLBV-LBPRGKRZSA-N 0 0 248.395 3.708 20 30 BHEDRN CCc1cccc(C)c1NN=Cc1occc1C ZINC000799493475 586180765 /nfs/dbraw/zinc/18/07/65/586180765.db2.gz CSNMAQVMIYSGEJ-UHFFFAOYSA-N 0 0 242.322 3.905 20 30 BHEDRN CCc1cccc(C)c1NN=C(C)c1ccc[nH]1 ZINC000799493481 586180515 /nfs/dbraw/zinc/18/05/15/586180515.db2.gz DCUXYBBNVAIVEQ-UHFFFAOYSA-N 0 0 241.338 3.722 20 30 BHEDRN CCc1cccc(C)c1N=NCCC(C)(C)OC ZINC000799493670 586181117 /nfs/dbraw/zinc/18/11/17/586181117.db2.gz KXHGVQJNUHOXSF-UHFFFAOYSA-N 0 0 248.370 3.770 20 30 BHEDRN CCc1cccc(C)c1N=NC[C@@H]1C[C@@H]1C ZINC000799493746 586181411 /nfs/dbraw/zinc/18/14/11/586181411.db2.gz NOURIJXDKMULDK-AAEUAGOBSA-N 0 0 216.328 3.611 20 30 BHEDRN CCc1cccc(C)c1N=NC[C@H]1C[C@H]1C ZINC000799493747 586181402 /nfs/dbraw/zinc/18/14/02/586181402.db2.gz NOURIJXDKMULDK-DGCLKSJQSA-N 0 0 216.328 3.611 20 30 BHEDRN CCc1cccc(C)c1N=NC[C@H]1C[C@@H]1C ZINC000799493748 586181202 /nfs/dbraw/zinc/18/12/02/586181202.db2.gz NOURIJXDKMULDK-WCQYABFASA-N 0 0 216.328 3.611 20 30 BHEDRN CCc1cccc(C)c1N=NC[C@@H]1C[C@H]1C ZINC000799493749 586181071 /nfs/dbraw/zinc/18/10/71/586181071.db2.gz NOURIJXDKMULDK-YPMHNXCESA-N 0 0 216.328 3.611 20 30 BHEDRN CCc1cccc(C)c1N=NC(C)CCCOC ZINC000799493792 586181121 /nfs/dbraw/zinc/18/11/21/586181121.db2.gz PRSMNURGDVKYHF-UHFFFAOYSA-N 0 0 248.370 3.772 20 30 BHEDRN CCc1cccc(C)c1N=NCCCSC ZINC000799493818 586181116 /nfs/dbraw/zinc/18/11/16/586181116.db2.gz QQWAFZAEWCQHRU-UHFFFAOYSA-N 0 0 236.384 3.708 20 30 BHEDRN CCc1cccc(C)c1NN=C(C)c1ccoc1 ZINC000799493819 586181442 /nfs/dbraw/zinc/18/14/42/586181442.db2.gz QSQONGLRPZFOKI-UHFFFAOYSA-N 0 0 242.322 3.987 20 30 BHEDRN CCc1cccc(C)c1N=NC(C)CC ZINC000799493835 586181317 /nfs/dbraw/zinc/18/13/17/586181317.db2.gz RHYIOCJTHCNVEB-UHFFFAOYSA-N 0 0 204.317 3.755 20 30 BHEDRN CCCCN=Nc1c(C)cccc1CC ZINC000799493874 586181342 /nfs/dbraw/zinc/18/13/42/586181342.db2.gz SUJHKVANJKICQP-UHFFFAOYSA-N 0 0 204.317 3.755 20 30 BHEDRN CCc1cccc(C)c1NN=Cc1ccco1 ZINC000799493944 586181122 /nfs/dbraw/zinc/18/11/22/586181122.db2.gz WNICZWBZWNREAU-UHFFFAOYSA-N 0 0 228.295 3.596 20 30 BHEDRN CCc1cccc(C)c1N=NCC1(C)CC1 ZINC000799493983 586181109 /nfs/dbraw/zinc/18/11/09/586181109.db2.gz YLFRXDPTHQODMB-UHFFFAOYSA-N 0 0 216.328 3.755 20 30 BHEDRN CCc1cccc(C)c1N=NC(C)CCCCO ZINC000799494223 586181168 /nfs/dbraw/zinc/18/11/68/586181168.db2.gz FFEGELSDZACASP-UHFFFAOYSA-N 0 0 248.370 3.508 20 30 BHEDRN CCc1cccc(C)c1N=NC(COC)C(C)C ZINC000799494242 586181519 /nfs/dbraw/zinc/18/15/19/586181519.db2.gz FXLAMHOXFXHXOQ-UHFFFAOYSA-N 0 0 248.370 3.628 20 30 BHEDRN CCc1cccc(C)c1NN=C(C)c1ccco1 ZINC000799494570 586181492 /nfs/dbraw/zinc/18/14/92/586181492.db2.gz JSWZAZFVJPHTDV-UHFFFAOYSA-N 0 0 242.322 3.987 20 30 BHEDRN CCc1cccc(C)c1N=NC(C)[C@H](C)COC ZINC000799494705 586181256 /nfs/dbraw/zinc/18/12/56/586181256.db2.gz LOWCBZYVTVQMMD-GFCCVEGCSA-N 0 0 248.370 3.628 20 30 BHEDRN CCc1cccc(C)c1N=NC(C)[C@@H](C)COC ZINC000799494707 586181335 /nfs/dbraw/zinc/18/13/35/586181335.db2.gz LOWCBZYVTVQMMD-LBPRGKRZSA-N 0 0 248.370 3.628 20 30 BHEDRN CCc1cccc(C)c1N=NCC(C)(C)COC ZINC000799494891 586181473 /nfs/dbraw/zinc/18/14/73/586181473.db2.gz MVKCXQZOTUFRAY-UHFFFAOYSA-N 0 0 248.370 3.628 20 30 BHEDRN CCc1cccc(C)c1NN=Cc1ccoc1 ZINC000799495642 586181452 /nfs/dbraw/zinc/18/14/52/586181452.db2.gz VLMKMDDEOJGIFI-UHFFFAOYSA-N 0 0 228.295 3.596 20 30 BHEDRN C#CCCCCC(=O)OCC1(CC(C)C)CC1 ZINC000799662657 586188130 /nfs/dbraw/zinc/18/81/30/586188130.db2.gz RFUCROGDTONYHH-UHFFFAOYSA-N 0 0 236.355 3.550 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)OCC1(C(C)C)CC1 ZINC000799671631 586190179 /nfs/dbraw/zinc/19/01/79/586190179.db2.gz MIRPISLFHAQTMP-GFCCVEGCSA-N 0 0 224.344 3.568 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)OCC1(C(C)C)CC1 ZINC000799671632 586190500 /nfs/dbraw/zinc/19/05/00/586190500.db2.gz MIRPISLFHAQTMP-LBPRGKRZSA-N 0 0 224.344 3.568 20 30 BHEDRN C#CCCCCCC(=O)OCC1(C(C)C)CC1 ZINC000799674022 586191226 /nfs/dbraw/zinc/19/12/26/586191226.db2.gz XBUVEQGRTOKOON-UHFFFAOYSA-N 0 0 236.355 3.550 20 30 BHEDRN CCCCCCCC(=O)OCC1(SC)CC1 ZINC000799686977 586192057 /nfs/dbraw/zinc/19/20/57/586192057.db2.gz LEOUKGRVMVGZHP-UHFFFAOYSA-N 0 0 244.400 3.786 20 30 BHEDRN N#C[C@@H]1CC[C@H](Nc2ccc3ccccc3c2)C1 ZINC000799720350 586194075 /nfs/dbraw/zinc/19/40/75/586194075.db2.gz GEKIPVMMCFQPOM-DOMZBBRYSA-N 0 0 236.318 3.944 20 30 BHEDRN N#C[C@@H]1CC[C@@H](Nc2ccc3ccccc3c2)C1 ZINC000799720352 586193716 /nfs/dbraw/zinc/19/37/16/586193716.db2.gz GEKIPVMMCFQPOM-IUODEOHRSA-N 0 0 236.318 3.944 20 30 BHEDRN N#C[C@H]1CC[C@@H](Nc2ccc3ccccc3c2)C1 ZINC000799720353 586194137 /nfs/dbraw/zinc/19/41/37/586194137.db2.gz GEKIPVMMCFQPOM-SWLSCSKDSA-N 0 0 236.318 3.944 20 30 BHEDRN N#C[C@H]1CC[C@H](Nc2ccc3ccccc3c2)C1 ZINC000799720354 586194347 /nfs/dbraw/zinc/19/43/47/586194347.db2.gz GEKIPVMMCFQPOM-WFASDCNBSA-N 0 0 236.318 3.944 20 30 BHEDRN CC(C)Oc1ccc(N[C@@H]2CC[C@H](C#N)C2)cc1 ZINC000799720536 586193766 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NUXATAAQBRVJDD-CYBMUJFWSA-N 0 0 246.354 3.600 20 30 BHEDRN COCC[C@@H]1CCCC1N=Nc1cccc(C)c1 ZINC000799864455 583968230 /nfs/dbraw/zinc/96/82/30/583968230.db2.gz NUXATAAQBRVJDD-ZDUSSCGKSA-N 0 0 246.354 3.600 20 30 BHEDRN CC(=NNc1ccccc1)c1cc(C)c(C)o1 ZINC000799865033 586198500 /nfs/dbraw/zinc/19/85/00/586198500.db2.gz CHFGEQHUJFZFLA-UHFFFAOYSA-N 0 0 228.295 3.733 20 30 BHEDRN Cc1cccc(N=NC2CCC23CCC3)c1 ZINC000799865198 586198504 /nfs/dbraw/zinc/19/85/04/586198504.db2.gz XDHXRJCSHCKCBV-UHFFFAOYSA-N 0 0 214.312 3.727 20 30 BHEDRN CC(=NNc1ccc(F)cc1)c1cc(C)c(C)o1 ZINC000799865556 586198176 /nfs/dbraw/zinc/19/81/76/586198176.db2.gz RXMKEUGIXRAEBO-UHFFFAOYSA-N 0 0 246.285 3.872 20 30 BHEDRN Fc1ccc(N=NC2CCC23CCC3)cc1 ZINC000799865716 586198403 /nfs/dbraw/zinc/19/84/03/586198403.db2.gz VRAFEICUKCHQNU-UHFFFAOYSA-N 0 0 218.275 3.558 20 30 BHEDRN CC(C)OCC(C)N=Nc1ccc(Cl)cc1 ZINC000799866098 586198512 /nfs/dbraw/zinc/19/85/12/586198512.db2.gz UEYOCTSFLRGHLF-UHFFFAOYSA-N 0 0 240.734 3.553 20 30 BHEDRN Fc1ccccc1N=NC1CCC12CCC2 ZINC000799874403 586199175 /nfs/dbraw/zinc/19/91/75/586199175.db2.gz KDOTVBPTXCOZFN-UHFFFAOYSA-N 0 0 218.275 3.558 20 30 BHEDRN C[C@@]12C[C@@H]1CCCC2=NOCc1ccccc1 ZINC000799874435 586199080 /nfs/dbraw/zinc/19/90/80/586199080.db2.gz LEIOZFPKKVHWDI-DZGCQCFKSA-N 0 0 229.323 3.769 20 30 BHEDRN C[C@]12C[C@H]1CCCC2=NOCc1ccccc1 ZINC000799874436 586198948 /nfs/dbraw/zinc/19/89/48/586198948.db2.gz LEIOZFPKKVHWDI-HIFRSBDPSA-N 0 0 229.323 3.769 20 30 BHEDRN CC(=NOCc1ccccc1)c1cc(C)c(C)o1 ZINC000799874627 586198829 /nfs/dbraw/zinc/19/88/29/586198829.db2.gz STUBLGQXEZDADQ-UHFFFAOYSA-N 0 0 243.306 3.837 20 30 BHEDRN CC(=NNc1ccccc1F)c1cc(C)c(C)o1 ZINC000799874703 586199088 /nfs/dbraw/zinc/19/90/88/586199088.db2.gz WWZLZWMYJTVNJX-UHFFFAOYSA-N 0 0 246.285 3.872 20 30 BHEDRN c1ccc(CON=C2CCC23CCC3)cc1 ZINC000799874747 586198990 /nfs/dbraw/zinc/19/89/90/586198990.db2.gz YKIHJSFWJFXANM-UHFFFAOYSA-N 0 0 215.296 3.523 20 30 BHEDRN CCc1ccccc1N=NC1CCC12CCC2 ZINC000799875007 586198970 /nfs/dbraw/zinc/19/89/70/586198970.db2.gz ITQHGFYANUCKMN-UHFFFAOYSA-N 0 0 228.339 3.981 20 30 BHEDRN CON=C/C(C)=C/c1ccccc1C(F)(F)F ZINC000799875157 586198993 /nfs/dbraw/zinc/19/89/93/586198993.db2.gz OVGYTIXLOYVSNB-DBJKKYBTSA-N 0 0 243.228 3.741 20 30 BHEDRN CON=C/C(C)=C\c1ccccc1C(F)(F)F ZINC000799875158 586198834 /nfs/dbraw/zinc/19/88/34/586198834.db2.gz OVGYTIXLOYVSNB-KLMUAEJFSA-N 0 0 243.228 3.741 20 30 BHEDRN C[C@]12C[C@H]1CCCC2N=Nc1ncccc1Cl ZINC000799875973 586199805 /nfs/dbraw/zinc/19/98/05/586199805.db2.gz HZQJDFALJABPNB-RNCFNFMXSA-N 0 0 249.745 3.713 20 30 BHEDRN C[C@@]12C[C@@H]1CCCC2N=Nc1ncccc1Cl ZINC000799875975 586199360 /nfs/dbraw/zinc/19/93/60/586199360.db2.gz HZQJDFALJABPNB-TVQRCGJNSA-N 0 0 249.745 3.713 20 30 BHEDRN Clc1ccccc1CNN=C1CCC12CCC2 ZINC000799876358 583968702 /nfs/dbraw/zinc/96/87/02/583968702.db2.gz OJOVGLSYAUBXSU-UHFFFAOYSA-N 0 0 248.757 3.750 20 30 BHEDRN Fc1cc(F)cc(N=NC2CCC23CCC3)c1 ZINC000799876616 586199573 /nfs/dbraw/zinc/19/95/73/586199573.db2.gz VSDULEOQSQRCLS-UHFFFAOYSA-N 0 0 236.265 3.697 20 30 BHEDRN CC(=NNc1cccc(F)c1)c1cc(C)c(C)o1 ZINC000799876763 583968825 /nfs/dbraw/zinc/96/88/25/583968825.db2.gz ACGDXMATCLNAND-UHFFFAOYSA-N 0 0 246.285 3.872 20 30 BHEDRN C[C@H](NN=C1CCC[C@@H]2C[C@]12C)c1ccccc1 ZINC000799876995 586199567 /nfs/dbraw/zinc/19/95/67/586199567.db2.gz INWIPSJTGKRFMP-BJJXKVORSA-N 0 0 242.366 3.903 20 30 BHEDRN C[C@H](NN=C1CCC[C@H]2C[C@@]12C)c1ccccc1 ZINC000799876996 586199321 /nfs/dbraw/zinc/19/93/21/586199321.db2.gz INWIPSJTGKRFMP-DUVNUKRYSA-N 0 0 242.366 3.903 20 30 BHEDRN Fc1cccc(N=NC2CCC23CCC3)c1 ZINC000799877337 583968998 /nfs/dbraw/zinc/96/89/98/583968998.db2.gz WEGLDAMVXOXPEG-UHFFFAOYSA-N 0 0 218.275 3.558 20 30 BHEDRN C[C@@H](NN=C1CCC12CCC2)c1ccccc1 ZINC000799877346 586199387 /nfs/dbraw/zinc/19/93/87/586199387.db2.gz WRJFZFSIQFHFKV-GFCCVEGCSA-N 0 0 228.339 3.657 20 30 BHEDRN C[C@H](NN=C1CCC12CCC2)c1ccccc1 ZINC000799877347 586199595 /nfs/dbraw/zinc/19/95/95/586199595.db2.gz WRJFZFSIQFHFKV-LBPRGKRZSA-N 0 0 228.339 3.657 20 30 BHEDRN c1ccc(CCCNN=C2CCC23CCC3)cc1 ZINC000799878611 586199304 /nfs/dbraw/zinc/19/93/04/586199304.db2.gz BJSDQYGRBNBNIJ-UHFFFAOYSA-N 0 0 242.366 3.529 20 30 BHEDRN COc1cc(F)cc(N=NC2CCC23CCC3)c1 ZINC000799880471 586199598 /nfs/dbraw/zinc/19/95/98/586199598.db2.gz CHZBOOXALDPRER-UHFFFAOYSA-N 0 0 248.301 3.566 20 30 BHEDRN CCC(CC)NN=C(C)c1c(C)cc(C)cc1O ZINC000799880711 586199521 /nfs/dbraw/zinc/19/95/21/586199521.db2.gz SIGARLRDLPLVHK-UHFFFAOYSA-N 0 0 248.370 3.511 20 30 BHEDRN Clc1ccc(CNN=C2CCC23CCC3)cc1 ZINC000799880966 586199453 /nfs/dbraw/zinc/19/94/53/586199453.db2.gz JXWXTLSTQQHEEE-UHFFFAOYSA-N 0 0 248.757 3.750 20 30 BHEDRN Clc1cccc(CNN=C2CCC23CCC3)c1 ZINC000799881046 586199813 /nfs/dbraw/zinc/19/98/13/586199813.db2.gz LEMSXWJCRYZNBQ-UHFFFAOYSA-N 0 0 248.757 3.750 20 30 BHEDRN Cc1ccc(F)c(N=NC2CCC23CCC3)c1 ZINC000799881434 586199908 /nfs/dbraw/zinc/19/99/08/586199908.db2.gz QEQYZISIMKPWNA-UHFFFAOYSA-N 0 0 232.302 3.866 20 30 BHEDRN Fc1cccc(N=NC2CCC23CCC3)c1F ZINC000799882107 586199924 /nfs/dbraw/zinc/19/99/24/586199924.db2.gz DHNMYXARUKYUSE-UHFFFAOYSA-N 0 0 236.265 3.697 20 30 BHEDRN Fc1cccc(F)c1N=NC1CCC12CCC2 ZINC000799882452 586200075 /nfs/dbraw/zinc/20/00/75/586200075.db2.gz RSVUUDBXBMXMMA-UHFFFAOYSA-N 0 0 236.265 3.697 20 30 BHEDRN CC(=NOC1CCCC1)c1c(C)cc(C)cc1O ZINC000799883670 586200169 /nfs/dbraw/zinc/20/01/69/586200169.db2.gz LZARIGYUPRAIMK-UHFFFAOYSA-N 0 0 247.338 3.692 20 30 BHEDRN CC(=NOC1CCCC1)c1cc(C)c(C)o1 ZINC000799883676 586200120 /nfs/dbraw/zinc/20/01/20/586200120.db2.gz MLIDLNRLAWDRKR-UHFFFAOYSA-N 0 0 221.300 3.580 20 30 BHEDRN C[C@@]12C[C@@H]1CCCC2=NOC1CCCC1 ZINC000799883678 586200090 /nfs/dbraw/zinc/20/00/90/586200090.db2.gz MLXZNLJKKAIREO-GXFFZTMASA-N 0 0 207.317 3.512 20 30 BHEDRN C[C@]12C[C@H]1CCCC2=NOC1CCCC1 ZINC000799883679 586200301 /nfs/dbraw/zinc/20/03/01/586200301.db2.gz MLXZNLJKKAIREO-MFKMUULPSA-N 0 0 207.317 3.512 20 30 BHEDRN Cc1cc(F)ccc1N=NC1CCC12CCC2 ZINC000799884514 586200812 /nfs/dbraw/zinc/20/08/12/586200812.db2.gz GIZNXVWXVVYGAU-UHFFFAOYSA-N 0 0 232.302 3.866 20 30 BHEDRN CC(C)CON=C1CCC[C@@H](c2cccnc2)C1 ZINC000799884760 586200735 /nfs/dbraw/zinc/20/07/35/586200735.db2.gz JWXCBOVKBMFBQL-CYBMUJFWSA-N 0 0 246.354 3.768 20 30 BHEDRN CC(C)CON=C1CCC[C@H](c2cccnc2)C1 ZINC000799884762 586200536 /nfs/dbraw/zinc/20/05/36/586200536.db2.gz JWXCBOVKBMFBQL-ZDUSSCGKSA-N 0 0 246.354 3.768 20 30 BHEDRN C[C@]12C[C@H]1CCCC2N=Nc1cc(Cl)ccn1 ZINC000799884827 586200810 /nfs/dbraw/zinc/20/08/10/586200810.db2.gz SYQPOWVMEYRAGK-RNCFNFMXSA-N 0 0 249.745 3.713 20 30 BHEDRN C[C@@]12C[C@@H]1CCCC2N=Nc1cc(Cl)ccn1 ZINC000799884828 586200836 /nfs/dbraw/zinc/20/08/36/586200836.db2.gz SYQPOWVMEYRAGK-TVQRCGJNSA-N 0 0 249.745 3.713 20 30 BHEDRN CC(C)(C)CCNN=C1CCC[C@@H]2C[C@]12C ZINC000799884843 586200798 /nfs/dbraw/zinc/20/07/98/586200798.db2.gz TZMMCNXSZRFTPS-RISCZKNCSA-N 0 0 222.376 3.578 20 30 BHEDRN CC(C)(C)CCNN=C1CCC[C@H]2C[C@@]12C ZINC000799884844 586200830 /nfs/dbraw/zinc/20/08/30/586200830.db2.gz TZMMCNXSZRFTPS-SMDDNHRTSA-N 0 0 222.376 3.578 20 30 BHEDRN C1CC2(C1)CCC2=NOC1CCCCC1 ZINC000799885068 586200585 /nfs/dbraw/zinc/20/05/85/586200585.db2.gz ACWMCUQRFOQZFE-UHFFFAOYSA-N 0 0 207.317 3.656 20 30 BHEDRN C[C@]12C[C@H]1CCCC2=NOCCC(F)(F)F ZINC000799885199 586200665 /nfs/dbraw/zinc/20/06/65/586200665.db2.gz CCCHPAHFIJBUMC-SCZZXKLOSA-N 0 0 235.249 3.522 20 30 BHEDRN C[C@@]12C[C@@H]1CCCC2=NOCCC(F)(F)F ZINC000799885200 586200793 /nfs/dbraw/zinc/20/07/93/586200793.db2.gz CCCHPAHFIJBUMC-WCBMZHEXSA-N 0 0 235.249 3.522 20 30 BHEDRN C[C@]12C[C@H]1CCCC2=NOCc1ccc(F)cc1 ZINC000799885242 586200690 /nfs/dbraw/zinc/20/06/90/586200690.db2.gz CTICDOVKLHHQDI-DOMZBBRYSA-N 0 0 247.313 3.908 20 30 BHEDRN C[C@@]12C[C@@H]1CCCC2=NOCc1ccc(F)cc1 ZINC000799885247 586200740 /nfs/dbraw/zinc/20/07/40/586200740.db2.gz CTICDOVKLHHQDI-SWLSCSKDSA-N 0 0 247.313 3.908 20 30 BHEDRN Cc1cccc(F)c1N=NC1CCC12CCC2 ZINC000799885413 583969150 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CC[C@H]1CCC1N=Nc1cc(C)cc(C)c1 ZINC000807955386 586452998 /nfs/dbraw/zinc/45/29/98/586452998.db2.gz VROKOPNUSXLBFA-LBPRGKRZSA-N 0 0 216.328 3.891 20 30 BHEDRN COc1cccc(N=NC2CC[C@H]2C(C)(C)C)c1 ZINC000807959916 586452945 /nfs/dbraw/zinc/45/29/45/586452945.db2.gz GJRAQLWDXLDUJR-CYBMUJFWSA-N 0 0 246.354 3.919 20 30 BHEDRN COc1cccc(N=NC2CC[C@@H]2C(C)(C)C)c1 ZINC000807959917 586452926 /nfs/dbraw/zinc/45/29/26/586452926.db2.gz GJRAQLWDXLDUJR-ZDUSSCGKSA-N 0 0 246.354 3.919 20 30 BHEDRN CC(C)(C)[C@@H]1CCC1N=Nc1cccc(C#N)c1 ZINC000807960864 586452816 /nfs/dbraw/zinc/45/28/16/586452816.db2.gz RQDTUJIMKCURQS-CYBMUJFWSA-N 0 0 241.338 3.782 20 30 BHEDRN CC(C)(C)[C@H]1CCC1N=Nc1cccc(C#N)c1 ZINC000807960865 586452958 /nfs/dbraw/zinc/45/29/58/586452958.db2.gz RQDTUJIMKCURQS-ZDUSSCGKSA-N 0 0 241.338 3.782 20 30 BHEDRN CCON=C(CCC(C)(C)C)c1cscn1 ZINC000807961087 586452806 /nfs/dbraw/zinc/45/28/06/586452806.db2.gz BKEGEODJWKCCCD-UHFFFAOYSA-N 0 0 240.372 3.710 20 30 BHEDRN CCON=C1[C@@H]2CCC[C@H]1Cc1ccccc1C2 ZINC000807961379 586453127 /nfs/dbraw/zinc/45/31/27/586453127.db2.gz ODHZNMQKTMIVRG-GASCZTMLSA-N 0 0 243.350 3.594 20 30 BHEDRN CON=C/C(C)=C/c1cccc(C(F)(F)F)c1 ZINC000807961792 586452995 /nfs/dbraw/zinc/45/29/95/586452995.db2.gz FFPDKODNOHTVSV-BNIIKDJNSA-N 0 0 243.228 3.741 20 30 BHEDRN CON=C/C(C)=C\c1cccc(C(F)(F)F)c1 ZINC000807961793 586452900 /nfs/dbraw/zinc/45/29/00/586452900.db2.gz FFPDKODNOHTVSV-CJNIPRJASA-N 0 0 243.228 3.741 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1cccc2ncccc12 ZINC000807962857 586453539 /nfs/dbraw/zinc/45/35/39/586453539.db2.gz IQNOGGJCWBELQO-LLVKDONJSA-N 0 0 239.322 3.823 20 30 BHEDRN CC[C@H]1CCC1N=Nc1cccc2ncccc12 ZINC000807962858 586453232 /nfs/dbraw/zinc/45/32/32/586453232.db2.gz IQNOGGJCWBELQO-NSHDSACASA-N 0 0 239.322 3.823 20 30 BHEDRN CCc1ccccc1N=NC1CC[C@H]1CC ZINC000807962925 586453458 /nfs/dbraw/zinc/45/34/58/586453458.db2.gz KBMSCWGWJFZZKW-GFCCVEGCSA-N 0 0 216.328 3.837 20 30 BHEDRN CCc1ccccc1N=NC1CC[C@@H]1CC ZINC000807962927 586453449 /nfs/dbraw/zinc/45/34/49/586453449.db2.gz KBMSCWGWJFZZKW-LBPRGKRZSA-N 0 0 216.328 3.837 20 30 BHEDRN CC(C)(C)[C@@H]1CCC1N=Nc1ccc(C#N)cc1 ZINC000807963239 586453268 /nfs/dbraw/zinc/45/32/68/586453268.db2.gz OWRTXTYBOZRRAT-CYBMUJFWSA-N 0 0 241.338 3.782 20 30 BHEDRN CC(C)(C)[C@H]1CCC1N=Nc1ccc(C#N)cc1 ZINC000807963241 586453392 /nfs/dbraw/zinc/45/33/92/586453392.db2.gz OWRTXTYBOZRRAT-ZDUSSCGKSA-N 0 0 241.338 3.782 20 30 BHEDRN c1cnc2cccc(N=NCCCC3CC3)c2c1 ZINC000807963320 586453575 /nfs/dbraw/zinc/45/35/75/586453575.db2.gz QKLFENZQHUNRCQ-UHFFFAOYSA-N 0 0 239.322 3.823 20 30 BHEDRN CCCC[C@H](C)C(C)N=Nc1cc(C)nc(C)n1 ZINC000807963892 586453260 /nfs/dbraw/zinc/45/32/60/586453260.db2.gz OGHKFELZZQIDCM-JTQLQIEISA-N 0 0 248.374 3.708 20 30 BHEDRN CCCC[C@@H](C)C(C)N=Nc1cc(C)nc(C)n1 ZINC000807963893 586453284 /nfs/dbraw/zinc/45/32/84/586453284.db2.gz OGHKFELZZQIDCM-SNVBAGLBSA-N 0 0 248.374 3.708 20 30 BHEDRN CCCCNN=C(C)c1c(F)cccc1Cl ZINC000807964006 586453475 /nfs/dbraw/zinc/45/34/75/586453475.db2.gz TYHNPWWFJSUSJZ-UHFFFAOYSA-N 0 0 242.725 3.593 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1nccc2sccc21 ZINC000807964267 586453526 /nfs/dbraw/zinc/45/35/26/586453526.db2.gz BXVPBOFYWKYLFY-SECBINFHSA-N 0 0 245.351 3.884 20 30 BHEDRN CC[C@H]1CCC1N=Nc1nccc2sccc21 ZINC000807964268 586453278 /nfs/dbraw/zinc/45/32/78/586453278.db2.gz BXVPBOFYWKYLFY-VIFPVBQESA-N 0 0 245.351 3.884 20 30 BHEDRN c1cc2c(ccnc2N=NCCCC2CC2)s1 ZINC000807964874 586453239 /nfs/dbraw/zinc/45/32/39/586453239.db2.gz ZOBJGRQCJRBOBT-UHFFFAOYSA-N 0 0 245.351 3.884 20 30 BHEDRN CC[C@H]1CCC1=NNCc1ccccc1Cl ZINC000807964916 643491185 /nfs/dbraw/zinc/49/11/85/643491185.db2.gz BCTANUNLCIJVNO-JTQLQIEISA-N 0 0 236.746 3.606 20 30 BHEDRN CC[C@@H]1CCC1=NNCc1ccccc1Cl ZINC000807964917 643490661 /nfs/dbraw/zinc/49/06/61/643490661.db2.gz BCTANUNLCIJVNO-SNVBAGLBSA-N 0 0 236.746 3.606 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1cc(F)cc(F)c1 ZINC000807965250 586453503 /nfs/dbraw/zinc/45/35/03/586453503.db2.gz PCFYSYHOGJEYMN-MRVPVSSYSA-N 0 0 224.254 3.553 20 30 BHEDRN CC[C@H]1CCC1N=Nc1cc(F)cc(F)c1 ZINC000807965251 586453672 /nfs/dbraw/zinc/45/36/72/586453672.db2.gz PCFYSYHOGJEYMN-QMMMGPOBSA-N 0 0 224.254 3.553 20 30 BHEDRN CC[C@H]1CCC1=NN[C@H](C)c1ccccc1 ZINC000807967204 586453498 /nfs/dbraw/zinc/45/34/98/586453498.db2.gz YMDWTIQLPLMPMA-NEPJUHHUSA-N 0 0 216.328 3.513 20 30 BHEDRN CC[C@@H]1CCC1=NN[C@@H](C)c1ccccc1 ZINC000807967205 586453496 /nfs/dbraw/zinc/45/34/96/586453496.db2.gz YMDWTIQLPLMPMA-NWDGAFQWSA-N 0 0 216.328 3.513 20 30 BHEDRN CC[C@H]1CCC1N=N[C@@H](C)c1ccccc1 ZINC000807967206 586453613 /nfs/dbraw/zinc/45/36/13/586453613.db2.gz YMDWTIQLPLMPMA-RYUDHWBXSA-N 0 0 216.328 3.513 20 30 BHEDRN CC[C@@H]1CCC1=NN[C@H](C)c1ccccc1 ZINC000807967207 586453587 /nfs/dbraw/zinc/45/35/87/586453587.db2.gz YMDWTIQLPLMPMA-VXGBXAGGSA-N 0 0 216.328 3.513 20 30 BHEDRN Cc1ccc(N=NC2CC[C@H]2C(C)(C)C)nc1 ZINC000807969108 586453231 /nfs/dbraw/zinc/45/32/31/586453231.db2.gz KEXKTMAKTMYSLL-LLVKDONJSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccc(N=NC2CC[C@@H]2C(C)(C)C)nc1 ZINC000807969109 586453598 /nfs/dbraw/zinc/45/35/98/586453598.db2.gz KEXKTMAKTMYSLL-NSHDSACASA-N 0 0 231.343 3.614 20 30 BHEDRN CCCC[C@@H](C)C(C)=NNC1CCCC1 ZINC000807969605 586454053 /nfs/dbraw/zinc/45/40/53/586454053.db2.gz UTTWZPHWSPTXEL-LLVKDONJSA-N 0 0 210.365 3.721 20 30 BHEDRN CCCC[C@H](C)C(C)=NNC1CCCC1 ZINC000807969606 586453832 /nfs/dbraw/zinc/45/38/32/586453832.db2.gz UTTWZPHWSPTXEL-NSHDSACASA-N 0 0 210.365 3.721 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1cccc2cnccc21 ZINC000807970726 586453949 /nfs/dbraw/zinc/45/39/49/586453949.db2.gz UQWDGFNEUZVENX-LLVKDONJSA-N 0 0 239.322 3.823 20 30 BHEDRN CC[C@H]1CCC1N=Nc1cccc2cnccc21 ZINC000807970727 586453766 /nfs/dbraw/zinc/45/37/66/586453766.db2.gz UQWDGFNEUZVENX-NSHDSACASA-N 0 0 239.322 3.823 20 30 BHEDRN CCCC[C@H](C)C(C)N=Nc1ccc(F)cn1 ZINC000807971987 586453712 /nfs/dbraw/zinc/45/37/12/586453712.db2.gz GHIWRAGSFAXUPU-JTQLQIEISA-N 0 0 237.322 3.835 20 30 BHEDRN CCCC[C@@H](C)C(C)N=Nc1ccc(F)cn1 ZINC000807971988 586454090 /nfs/dbraw/zinc/45/40/90/586454090.db2.gz GHIWRAGSFAXUPU-SNVBAGLBSA-N 0 0 237.322 3.835 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1c(F)cccc1F ZINC000807972694 586453853 /nfs/dbraw/zinc/45/38/53/586453853.db2.gz UEMVZBUNFNMMNE-MRVPVSSYSA-N 0 0 224.254 3.553 20 30 BHEDRN CC[C@H]1CCC1N=Nc1c(F)cccc1F ZINC000807972695 586453702 /nfs/dbraw/zinc/45/37/02/586453702.db2.gz UEMVZBUNFNMMNE-QMMMGPOBSA-N 0 0 224.254 3.553 20 30 BHEDRN Fc1cc(F)c(N=NCCCC2CC2)cc1F ZINC000807973489 586453759 /nfs/dbraw/zinc/45/37/59/586453759.db2.gz QYIQREVQXMYNEZ-UHFFFAOYSA-N 0 0 242.244 3.692 20 30 BHEDRN CCC(CC)NN=C1CC[C@H]1C(C)(C)C ZINC000807973560 586453931 /nfs/dbraw/zinc/45/39/31/586453931.db2.gz RTDDUYKZADIXHA-LLVKDONJSA-N 0 0 210.365 3.577 20 30 BHEDRN CCC(CC)NN=C1CC[C@@H]1C(C)(C)C ZINC000807973561 586454039 /nfs/dbraw/zinc/45/40/39/586454039.db2.gz RTDDUYKZADIXHA-NSHDSACASA-N 0 0 210.365 3.577 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1cc(F)c(F)cc1F ZINC000807973751 586453735 /nfs/dbraw/zinc/45/37/35/586453735.db2.gz XUOAGTZKQZGGDK-SSDOTTSWSA-N 0 0 242.244 3.692 20 30 BHEDRN CC[C@H]1CCC1N=Nc1cc(F)c(F)cc1F ZINC000807973752 586453960 /nfs/dbraw/zinc/45/39/60/586453960.db2.gz XUOAGTZKQZGGDK-ZETCQYMHSA-N 0 0 242.244 3.692 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1cccc(F)c1F ZINC000807974239 586453863 /nfs/dbraw/zinc/45/38/63/586453863.db2.gz YWIRFFOKRPVDJG-MRVPVSSYSA-N 0 0 224.254 3.553 20 30 BHEDRN CC[C@H]1CCC1N=Nc1cccc(F)c1F ZINC000807974240 586453685 /nfs/dbraw/zinc/45/36/85/586453685.db2.gz YWIRFFOKRPVDJG-QMMMGPOBSA-N 0 0 224.254 3.553 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1cc(F)c(F)c(F)c1 ZINC000807974492 586453991 /nfs/dbraw/zinc/45/39/91/586453991.db2.gz JBOGNTXRPNZJCT-SSDOTTSWSA-N 0 0 242.244 3.692 20 30 BHEDRN CC[C@H]1CCC1N=Nc1cc(F)c(F)c(F)c1 ZINC000807974493 586453721 /nfs/dbraw/zinc/45/37/21/586453721.db2.gz JBOGNTXRPNZJCT-ZETCQYMHSA-N 0 0 242.244 3.692 20 30 BHEDRN CC[C@@H]1CCC1=NNCc1ccc(Cl)cc1 ZINC000807976478 586454389 /nfs/dbraw/zinc/45/43/89/586454389.db2.gz MKCIOVCGXGOEDI-LLVKDONJSA-N 0 0 236.746 3.606 20 30 BHEDRN CC[C@H]1CCC1=NNCc1ccc(Cl)cc1 ZINC000807976479 586454215 /nfs/dbraw/zinc/45/42/15/586454215.db2.gz MKCIOVCGXGOEDI-NSHDSACASA-N 0 0 236.746 3.606 20 30 BHEDRN CC[C@H]1CCC1N=Nc1cc(C)ccc1F ZINC000807976728 586454348 /nfs/dbraw/zinc/45/43/48/586454348.db2.gz RTVVSODMULOJHB-JTQLQIEISA-N 0 0 220.291 3.722 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1cc(C)ccc1F ZINC000807976729 586454364 /nfs/dbraw/zinc/45/43/64/586454364.db2.gz RTVVSODMULOJHB-SNVBAGLBSA-N 0 0 220.291 3.722 20 30 BHEDRN Clc1cccc(CNN=CCCC2CC2)c1 ZINC000807976916 586454500 /nfs/dbraw/zinc/45/45/00/586454500.db2.gz CIISUOAKUHRAAI-UHFFFAOYSA-N 0 0 236.746 3.606 20 30 BHEDRN Cc1ccc(F)c(N=NCCCC2CC2)c1 ZINC000807977102 586454414 /nfs/dbraw/zinc/45/44/14/586454414.db2.gz VTKPJHIZNOURJE-UHFFFAOYSA-N 0 0 220.291 3.722 20 30 BHEDRN Cc1ccnc(N=NC2CC[C@H]2C(C)(C)C)c1 ZINC000807977622 586454321 /nfs/dbraw/zinc/45/43/21/586454321.db2.gz UVEKGVNMMQQUOY-LLVKDONJSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1ccnc(N=NC2CC[C@@H]2C(C)(C)C)c1 ZINC000807977623 586454422 /nfs/dbraw/zinc/45/44/22/586454422.db2.gz UVEKGVNMMQQUOY-NSHDSACASA-N 0 0 231.343 3.614 20 30 BHEDRN CC[C@@H]1CCC1=NNCc1cccc(Cl)c1 ZINC000807977743 586454282 /nfs/dbraw/zinc/45/42/82/586454282.db2.gz YTAOWVRJIRZWHW-LLVKDONJSA-N 0 0 236.746 3.606 20 30 BHEDRN CC[C@H]1CCC1=NNCc1cccc(Cl)c1 ZINC000807977744 586454245 /nfs/dbraw/zinc/45/42/45/586454245.db2.gz YTAOWVRJIRZWHW-NSHDSACASA-N 0 0 236.746 3.606 20 30 BHEDRN CCCC[C@@H](C)C(C)=NOCC(F)(F)F ZINC000807978541 586454498 /nfs/dbraw/zinc/45/44/98/586454498.db2.gz WFEJGIPBYZXHII-MRVPVSSYSA-N 0 0 225.254 3.768 20 30 BHEDRN CCCC[C@H](C)C(C)=NOCC(F)(F)F ZINC000807978542 586454332 /nfs/dbraw/zinc/45/43/32/586454332.db2.gz WFEJGIPBYZXHII-QMMMGPOBSA-N 0 0 225.254 3.768 20 30 BHEDRN Cc1cc(F)ccc1N=NCCCC1CC1 ZINC000807978753 586454496 /nfs/dbraw/zinc/45/44/96/586454496.db2.gz BYSHRULUFALQRH-UHFFFAOYSA-N 0 0 220.291 3.722 20 30 BHEDRN COc1ccc(N=NC2CC[C@H]2C(C)(C)C)cc1 ZINC000807978908 582616465 /nfs/dbraw/zinc/61/64/65/582616465.db2.gz HRVYNGGJUCGSEK-CYBMUJFWSA-N 0 0 246.354 3.919 20 30 BHEDRN COc1ccc(N=NC2CC[C@@H]2C(C)(C)C)cc1 ZINC000807978909 582616461 /nfs/dbraw/zinc/61/64/61/582616461.db2.gz HRVYNGGJUCGSEK-ZDUSSCGKSA-N 0 0 246.354 3.919 20 30 BHEDRN CC[C@H]1CCC1N=Nc1ccc(F)cc1C ZINC000807979049 586454243 /nfs/dbraw/zinc/45/42/43/586454243.db2.gz LUWKDIGLUQEZFI-JTQLQIEISA-N 0 0 220.291 3.722 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1ccc(F)cc1C ZINC000807979050 586454326 /nfs/dbraw/zinc/45/43/26/586454326.db2.gz LUWKDIGLUQEZFI-SNVBAGLBSA-N 0 0 220.291 3.722 20 30 BHEDRN CC(C)CON=C1C[C@@H](C)c2ccccc21 ZINC000807979438 586454333 /nfs/dbraw/zinc/45/43/33/586454333.db2.gz SPGCDMARISQDNG-LLVKDONJSA-N 0 0 217.312 3.571 20 30 BHEDRN CC(C)CON=C1C[C@H](C)c2ccccc21 ZINC000807979439 586454159 /nfs/dbraw/zinc/45/41/59/586454159.db2.gz SPGCDMARISQDNG-NSHDSACASA-N 0 0 217.312 3.571 20 30 BHEDRN CCCC[C@@H](C)C(C)=NOCc1cccnc1 ZINC000807979752 586454395 /nfs/dbraw/zinc/45/43/95/586454395.db2.gz XNPDUWDVODZTCB-GFCCVEGCSA-N 0 0 234.343 3.800 20 30 BHEDRN CCCC[C@H](C)C(C)=NOCc1cccnc1 ZINC000807979755 586454444 /nfs/dbraw/zinc/45/44/44/586454444.db2.gz XNPDUWDVODZTCB-LBPRGKRZSA-N 0 0 234.343 3.800 20 30 BHEDRN CC(C)(C)[C@@H]1CCC1=NOC1CCCC1 ZINC000807980042 586454647 /nfs/dbraw/zinc/45/46/47/586454647.db2.gz IQVGOYZDPOBQHA-LLVKDONJSA-N 0 0 209.333 3.758 20 30 BHEDRN CC(C)(C)[C@H]1CCC1=NOC1CCCC1 ZINC000807980043 586454585 /nfs/dbraw/zinc/45/45/85/586454585.db2.gz IQVGOYZDPOBQHA-NSHDSACASA-N 0 0 209.333 3.758 20 30 BHEDRN C[C@@H]1CC(=NOC2CCCC2)c2ccccc21 ZINC000807980846 586454683 /nfs/dbraw/zinc/45/46/83/586454683.db2.gz ZUDWTENHIKWBGY-LLVKDONJSA-N 0 0 229.323 3.857 20 30 BHEDRN C[C@H]1CC(=NOC2CCCC2)c2ccccc21 ZINC000807980847 586454653 /nfs/dbraw/zinc/45/46/53/586454653.db2.gz ZUDWTENHIKWBGY-NSHDSACASA-N 0 0 229.323 3.857 20 30 BHEDRN CCCC[C@@H](C)C(C)N=Nc1cccc(OC)n1 ZINC000807981627 586454580 /nfs/dbraw/zinc/45/45/80/586454580.db2.gz QANYMAQMSXUHOH-LLVKDONJSA-N 0 0 249.358 3.704 20 30 BHEDRN CCCC[C@H](C)C(C)N=Nc1cccc(OC)n1 ZINC000807981628 586454854 /nfs/dbraw/zinc/45/48/54/586454854.db2.gz QANYMAQMSXUHOH-NSHDSACASA-N 0 0 249.358 3.704 20 30 BHEDRN CCCC[C@H](C)C(C)=NO[C@H]1CCCCO1 ZINC000807982334 586454599 /nfs/dbraw/zinc/45/45/99/586454599.db2.gz XLDLDNBKQIBYFW-AAEUAGOBSA-N 0 0 227.348 3.732 20 30 BHEDRN CCCC[C@@H](C)C(C)=NO[C@@H]1CCCCO1 ZINC000807982335 586454857 /nfs/dbraw/zinc/45/48/57/586454857.db2.gz XLDLDNBKQIBYFW-DGCLKSJQSA-N 0 0 227.348 3.732 20 30 BHEDRN CCCC[C@H](C)C(C)=NO[C@@H]1CCCCO1 ZINC000807982336 586454751 /nfs/dbraw/zinc/45/47/51/586454751.db2.gz XLDLDNBKQIBYFW-WCQYABFASA-N 0 0 227.348 3.732 20 30 BHEDRN CCCC[C@@H](C)C(C)=NO[C@H]1CCCCO1 ZINC000807982337 586454860 /nfs/dbraw/zinc/45/48/60/586454860.db2.gz XLDLDNBKQIBYFW-YPMHNXCESA-N 0 0 227.348 3.732 20 30 BHEDRN Fc1ccc(CON=CCCC2CC2)cc1 ZINC000807982512 586454588 /nfs/dbraw/zinc/45/45/88/586454588.db2.gz DBHNDFCYHNDHNU-UHFFFAOYSA-N 0 0 221.275 3.518 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1ccc(C#N)c(Cl)c1 ZINC000807982594 586454770 /nfs/dbraw/zinc/45/47/70/586454770.db2.gz GRZIQGHDANSSAO-SECBINFHSA-N 0 0 247.729 3.800 20 30 BHEDRN CC[C@H]1CCC1N=Nc1ccc(C#N)c(Cl)c1 ZINC000807982595 586454796 /nfs/dbraw/zinc/45/47/96/586454796.db2.gz GRZIQGHDANSSAO-VIFPVBQESA-N 0 0 247.729 3.800 20 30 BHEDRN CC[C@@H]1CCC1=NOCc1ccc(F)cc1 ZINC000807982620 586454604 /nfs/dbraw/zinc/45/46/04/586454604.db2.gz HSOXLGKYTHZIJM-LLVKDONJSA-N 0 0 221.275 3.518 20 30 BHEDRN CC[C@H]1CCC1=NOCc1ccc(F)cc1 ZINC000807982621 586454743 /nfs/dbraw/zinc/45/47/43/586454743.db2.gz HSOXLGKYTHZIJM-NSHDSACASA-N 0 0 221.275 3.518 20 30 BHEDRN CC(C)(C)CCNN=C1CC[C@H]1C(C)(C)C ZINC000807982826 586455168 /nfs/dbraw/zinc/45/51/68/586455168.db2.gz PFIZMGYVVGIJRN-LLVKDONJSA-N 0 0 224.392 3.824 20 30 BHEDRN CC(C)(C)CCNN=C1CC[C@@H]1C(C)(C)C ZINC000807982827 586455063 /nfs/dbraw/zinc/45/50/63/586455063.db2.gz PFIZMGYVVGIJRN-NSHDSACASA-N 0 0 224.392 3.824 20 30 BHEDRN CCCC[C@H](C)C(C)N=Nc1ccnc(F)c1 ZINC000807983129 586455028 /nfs/dbraw/zinc/45/50/28/586455028.db2.gz YDDFBNJFLSROAI-JTQLQIEISA-N 0 0 237.322 3.835 20 30 BHEDRN CCCC[C@@H](C)C(C)N=Nc1ccnc(F)c1 ZINC000807983130 586455219 /nfs/dbraw/zinc/45/52/19/586455219.db2.gz YDDFBNJFLSROAI-SNVBAGLBSA-N 0 0 237.322 3.835 20 30 BHEDRN CCCC[C@@H](C)C(C)N=Nc1ccc(OC)cn1 ZINC000807983403 582622341 /nfs/dbraw/zinc/62/23/41/582622341.db2.gz LCGIJUSOXZFNDP-LLVKDONJSA-N 0 0 249.358 3.704 20 30 BHEDRN CCCC[C@H](C)C(C)N=Nc1ccc(OC)cn1 ZINC000807983404 582622371 /nfs/dbraw/zinc/62/23/71/582622371.db2.gz LCGIJUSOXZFNDP-NSHDSACASA-N 0 0 249.358 3.704 20 30 BHEDRN CC(C)(C)[C@@H]1CCC1=NOCCC(F)(F)F ZINC000807983485 586455224 /nfs/dbraw/zinc/45/52/24/586455224.db2.gz NQTZCRLPDPKKIA-MRVPVSSYSA-N 0 0 237.265 3.768 20 30 BHEDRN CC(C)(C)[C@H]1CCC1=NOCCC(F)(F)F ZINC000807983486 586455129 /nfs/dbraw/zinc/45/51/29/586455129.db2.gz NQTZCRLPDPKKIA-QMMMGPOBSA-N 0 0 237.265 3.768 20 30 BHEDRN CC(C)(C)[C@@H]1CCC1=NNC1CCCCC1 ZINC000807983589 586454998 /nfs/dbraw/zinc/45/49/98/586454998.db2.gz RARHSKRWVSCHNI-GFCCVEGCSA-N 0 0 222.376 3.721 20 30 BHEDRN CC(C)(C)[C@H]1CCC1=NNC1CCCCC1 ZINC000807983590 586455237 /nfs/dbraw/zinc/45/52/37/586455237.db2.gz RARHSKRWVSCHNI-LBPRGKRZSA-N 0 0 222.376 3.721 20 30 BHEDRN Cc1cccnc1N=NC1CC[C@H]1C(C)(C)C ZINC000807984474 582625547 /nfs/dbraw/zinc/62/55/47/582625547.db2.gz QVJQQXXEUUQRTL-LLVKDONJSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccnc1N=NC1CC[C@@H]1C(C)(C)C ZINC000807984483 582625506 /nfs/dbraw/zinc/62/55/06/582625506.db2.gz QVJQQXXEUUQRTL-NSHDSACASA-N 0 0 231.343 3.614 20 30 BHEDRN CC[C@@H](C)NN=C(C)c1c(F)cccc1Cl ZINC000807984766 586454980 /nfs/dbraw/zinc/45/49/80/586454980.db2.gz VMEPQJJYMCLNML-MRVPVSSYSA-N 0 0 242.725 3.591 20 30 BHEDRN CC[C@H](C)NN=C(C)c1c(F)cccc1Cl ZINC000807984768 586455233 /nfs/dbraw/zinc/45/52/33/586455233.db2.gz VMEPQJJYMCLNML-QMMMGPOBSA-N 0 0 242.725 3.591 20 30 BHEDRN CC(C)(C)[C@H]1CCC1=NN[C@H]1CCCC1(C)C ZINC000807984944 582627160 /nfs/dbraw/zinc/62/71/60/582627160.db2.gz IDDZMZINLRMEGW-AAEUAGOBSA-N 0 0 236.403 3.967 20 30 BHEDRN CC(C)(C)[C@@H]1CCC1=NN[C@@H]1CCCC1(C)C ZINC000807984949 582627266 /nfs/dbraw/zinc/62/72/66/582627266.db2.gz IDDZMZINLRMEGW-DGCLKSJQSA-N 0 0 236.403 3.967 20 30 BHEDRN CC(C)(C)[C@H]1CCC1=NN[C@@H]1CCCC1(C)C ZINC000807984953 582627121 /nfs/dbraw/zinc/62/71/21/582627121.db2.gz IDDZMZINLRMEGW-WCQYABFASA-N 0 0 236.403 3.967 20 30 BHEDRN CC(C)(C)[C@@H]1CCC1=NN[C@H]1CCCC1(C)C ZINC000807984954 582627244 /nfs/dbraw/zinc/62/72/44/582627244.db2.gz IDDZMZINLRMEGW-YPMHNXCESA-N 0 0 236.403 3.967 20 30 BHEDRN CC[C@H]1CCC1N=Nc1c(C)cccc1F ZINC000807985388 586455011 /nfs/dbraw/zinc/45/50/11/586455011.db2.gz GFQKEXKSOATQEG-JTQLQIEISA-N 0 0 220.291 3.722 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1c(C)cccc1F ZINC000807985389 586455052 /nfs/dbraw/zinc/45/50/52/586455052.db2.gz GFQKEXKSOATQEG-SNVBAGLBSA-N 0 0 220.291 3.722 20 30 BHEDRN CC[C@H]1CCC1N=N[C@H]1CCCCC1(C)C ZINC000807985497 586455183 /nfs/dbraw/zinc/45/51/83/586455183.db2.gz PYDILQJPKODRBE-AAEUAGOBSA-N 0 0 222.376 3.721 20 30 BHEDRN CC[C@@H]1CCC1N=N[C@@H]1CCCCC1(C)C ZINC000807985498 586455251 /nfs/dbraw/zinc/45/52/51/586455251.db2.gz PYDILQJPKODRBE-DGCLKSJQSA-N 0 0 222.376 3.721 20 30 BHEDRN CC[C@H]1CCC1=NN[C@@H]1CCCCC1(C)C ZINC000807985499 586454970 /nfs/dbraw/zinc/45/49/70/586454970.db2.gz PYDILQJPKODRBE-WCQYABFASA-N 0 0 222.376 3.721 20 30 BHEDRN CC[C@@H]1CCC1=NN[C@H]1CCCCC1(C)C ZINC000807985500 586455002 /nfs/dbraw/zinc/45/50/02/586455002.db2.gz PYDILQJPKODRBE-YPMHNXCESA-N 0 0 222.376 3.721 20 30 BHEDRN CCC(CC)CNN=C1CC[C@H]1C(C)(C)C ZINC000807985624 643553851 /nfs/dbraw/zinc/55/38/51/643553851.db2.gz KSQMGISTYLEBNP-GFCCVEGCSA-N 0 0 224.392 3.824 20 30 BHEDRN CCC(CC)CNN=C1CC[C@@H]1C(C)(C)C ZINC000807985625 643553299 /nfs/dbraw/zinc/55/32/99/643553299.db2.gz KSQMGISTYLEBNP-LBPRGKRZSA-N 0 0 224.392 3.824 20 30 BHEDRN CCCC[C@H](C)C(C)=NOCCSC ZINC000807985818 586455170 /nfs/dbraw/zinc/45/51/70/586455170.db2.gz AHRUUDKRKYITFW-JTQLQIEISA-N 0 0 217.378 3.568 20 30 BHEDRN CCCC[C@@H](C)C(C)=NOCCSC ZINC000807985821 586455091 /nfs/dbraw/zinc/45/50/91/586455091.db2.gz AHRUUDKRKYITFW-SNVBAGLBSA-N 0 0 217.378 3.568 20 30 BHEDRN CCCC[C@H](C)C(C)N=Nc1cccc(F)n1 ZINC000807987052 586455375 /nfs/dbraw/zinc/45/53/75/586455375.db2.gz DXTFHPKSEFCGNS-JTQLQIEISA-N 0 0 237.322 3.835 20 30 BHEDRN CCCC[C@@H](C)C(C)N=Nc1cccc(F)n1 ZINC000807987053 711487579 /nfs/dbraw/zinc/48/75/79/711487579.db2.gz DXTFHPKSEFCGNS-SNVBAGLBSA-N 0 0 237.322 3.835 20 30 BHEDRN CCCC[C@H](C)C(C)N=Nc1ncccc1F ZINC000807987727 586455394 /nfs/dbraw/zinc/45/53/94/586455394.db2.gz NDDQWWCGLWFJFK-JTQLQIEISA-N 0 0 237.322 3.835 20 30 BHEDRN CCCC[C@@H](C)C(C)N=Nc1ncccc1F ZINC000807987729 586455362 /nfs/dbraw/zinc/45/53/62/586455362.db2.gz NDDQWWCGLWFJFK-SNVBAGLBSA-N 0 0 237.322 3.835 20 30 BHEDRN CC[C@@H](C)C(C)N=Nc1ccc([N+](=O)[O-])cc1C ZINC000807988157 586455570 /nfs/dbraw/zinc/45/55/70/586455570.db2.gz BFIKQUDVCKVFMV-SECBINFHSA-N 0 0 249.314 3.737 20 30 BHEDRN CC[C@H](C)C(C)N=Nc1ccc([N+](=O)[O-])cc1C ZINC000807988158 586455479 /nfs/dbraw/zinc/45/54/79/586455479.db2.gz BFIKQUDVCKVFMV-VIFPVBQESA-N 0 0 249.314 3.737 20 30 BHEDRN CCCC(CC)N=Nc1ccc([N+](=O)[O-])cc1C ZINC000807989156 586455636 /nfs/dbraw/zinc/45/56/36/586455636.db2.gz DQMFCKHDYKATCZ-UHFFFAOYSA-N 0 0 249.314 3.881 20 30 BHEDRN CCC[C@H](C)CN=Nc1ccc([N+](=O)[O-])cc1C ZINC000807989272 586455557 /nfs/dbraw/zinc/45/55/57/586455557.db2.gz FNFFMMFFHHYYNC-JTQLQIEISA-N 0 0 249.314 3.737 20 30 BHEDRN CCC[C@@H](C)CN=Nc1ccc([N+](=O)[O-])cc1C ZINC000807989273 586455348 /nfs/dbraw/zinc/45/53/48/586455348.db2.gz FNFFMMFFHHYYNC-SNVBAGLBSA-N 0 0 249.314 3.737 20 30 BHEDRN C=CCCC(C)N=Nc1ccc([N+](=O)[O-])cc1C ZINC000807989277 586455386 /nfs/dbraw/zinc/45/53/86/586455386.db2.gz FORBTYNDBNEAPT-UHFFFAOYSA-N 0 0 247.298 3.657 20 30 BHEDRN CCC(N=Nc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000807990415 586455449 /nfs/dbraw/zinc/45/54/49/586455449.db2.gz AWDOJEUYFDYNMO-UHFFFAOYSA-N 0 0 249.314 3.737 20 30 BHEDRN Cc1cc([N+](=O)[O-])ccc1N=NCCC(C)(C)C ZINC000807990501 586455451 /nfs/dbraw/zinc/45/54/51/586455451.db2.gz FWONPQUPXOPMFM-UHFFFAOYSA-N 0 0 249.314 3.737 20 30 BHEDRN CCCCC(C)N=Nc1ccc([N+](=O)[O-])cc1C ZINC000807990813 586455529 /nfs/dbraw/zinc/45/55/29/586455529.db2.gz NBYZMPCENSIJAK-UHFFFAOYSA-N 0 0 249.314 3.881 20 30 BHEDRN CC(C)(C)CCN=Nc1nccnc1C1CCC1 ZINC000807991094 586456056 /nfs/dbraw/zinc/45/60/56/586456056.db2.gz FYVJXGCQPLSYSU-UHFFFAOYSA-N 0 0 246.358 3.578 20 30 BHEDRN CCC(CC)CN=Nc1ccc([N+](=O)[O-])cc1C ZINC000807991287 586456130 /nfs/dbraw/zinc/45/61/30/586456130.db2.gz VNGPKJWGAVGLDS-UHFFFAOYSA-N 0 0 249.314 3.737 20 30 BHEDRN CCCCCCN=Nc1ccc([N+](=O)[O-])cc1C ZINC000807991328 586455802 /nfs/dbraw/zinc/45/58/02/586455802.db2.gz LOKIIAQYVNHGTM-UHFFFAOYSA-N 0 0 249.314 3.881 20 30 BHEDRN CC[C@H](C)C(C)N=Nc1nccnc1C1CCC1 ZINC000807992321 586455753 /nfs/dbraw/zinc/45/57/53/586455753.db2.gz FPYINNPQAKVOTI-JTQLQIEISA-N 0 0 246.358 3.578 20 30 BHEDRN CC[C@@H](C)C(C)N=Nc1nccnc1C1CCC1 ZINC000807992322 586455820 /nfs/dbraw/zinc/45/58/20/586455820.db2.gz FPYINNPQAKVOTI-SNVBAGLBSA-N 0 0 246.358 3.578 20 30 BHEDRN CCC[C@@H](C)CN=Nc1nccnc1C1CCC1 ZINC000807992512 586456074 /nfs/dbraw/zinc/45/60/74/586456074.db2.gz HKGKGKJRKTVKQV-LLVKDONJSA-N 0 0 246.358 3.578 20 30 BHEDRN CCC[C@H](C)CN=Nc1nccnc1C1CCC1 ZINC000807992513 586455778 /nfs/dbraw/zinc/45/57/78/586455778.db2.gz HKGKGKJRKTVKQV-NSHDSACASA-N 0 0 246.358 3.578 20 30 BHEDRN CCCC(CC)N=Nc1nccnc1C1CCC1 ZINC000807992631 586456115 /nfs/dbraw/zinc/45/61/15/586456115.db2.gz IIIUYJFOEDBIES-UHFFFAOYSA-N 0 0 246.358 3.722 20 30 BHEDRN CCCCCCN=Nc1nccnc1C1CCC1 ZINC000807993424 586455841 /nfs/dbraw/zinc/45/58/41/586455841.db2.gz DFTIVWRTVDNNKC-UHFFFAOYSA-N 0 0 246.358 3.722 20 30 BHEDRN CCCCC(C)N=Nc1nccnc1C1CCC1 ZINC000807994117 586456072 /nfs/dbraw/zinc/45/60/72/586456072.db2.gz MHKLBCKZRVXFNY-UHFFFAOYSA-N 0 0 246.358 3.722 20 30 BHEDRN CCC(N=Nc1nccnc1C1CCC1)C(C)C ZINC000807994284 643571200 /nfs/dbraw/zinc/57/12/00/643571200.db2.gz OZXJDPAMKQMBMC-UHFFFAOYSA-N 0 0 246.358 3.578 20 30 BHEDRN CCC(CC)CN=Nc1nccnc1C1CCC1 ZINC000807994446 586456035 /nfs/dbraw/zinc/45/60/35/586456035.db2.gz SQNOYPPBZQILQI-UHFFFAOYSA-N 0 0 246.358 3.578 20 30 BHEDRN CC(C[C@@H](C)CC(C)C)=NN[C@H]1CCSC1 ZINC000808003567 586458287 /nfs/dbraw/zinc/45/82/87/586458287.db2.gz POXFTKKCFRSFHA-AAEUAGOBSA-N 0 0 242.432 3.530 20 30 BHEDRN CC(C[C@H](C)CC(C)C)=NN[C@@H]1CCSC1 ZINC000808003568 586458457 /nfs/dbraw/zinc/45/84/57/586458457.db2.gz POXFTKKCFRSFHA-DGCLKSJQSA-N 0 0 242.432 3.530 20 30 BHEDRN CC(C[C@@H](C)CC(C)C)=NN[C@@H]1CCSC1 ZINC000808003569 586458373 /nfs/dbraw/zinc/45/83/73/586458373.db2.gz POXFTKKCFRSFHA-WCQYABFASA-N 0 0 242.432 3.530 20 30 BHEDRN CC(C[C@H](C)CC(C)C)=NN[C@H]1CCSC1 ZINC000808003570 586458526 /nfs/dbraw/zinc/45/85/26/586458526.db2.gz POXFTKKCFRSFHA-YPMHNXCESA-N 0 0 242.432 3.530 20 30 BHEDRN CC(C)[C@H]1CCCC1=NNCC1CCCC1 ZINC000808005290 586458472 /nfs/dbraw/zinc/45/84/72/586458472.db2.gz BDZKFMHREIFFBQ-CYBMUJFWSA-N 0 0 222.376 3.578 20 30 BHEDRN CC(C)[C@@H]1CCCC1=NNCC1CCCC1 ZINC000808005293 586458455 /nfs/dbraw/zinc/45/84/55/586458455.db2.gz BDZKFMHREIFFBQ-ZDUSSCGKSA-N 0 0 222.376 3.578 20 30 BHEDRN FC(F)C1CCC(N=NCC2CCCC2)CC1 ZINC000808005330 586458538 /nfs/dbraw/zinc/45/85/38/586458538.db2.gz CUXZXRZFFXVCRY-UHFFFAOYSA-N 0 0 244.329 3.578 20 30 BHEDRN CC(C)=CCCC(C)=NNCC1CCCC1 ZINC000808005335 586458542 /nfs/dbraw/zinc/45/85/42/586458542.db2.gz BOHNSIFSBZMXSQ-UHFFFAOYSA-N 0 0 222.376 3.889 20 30 BHEDRN C(=NNCC1CCCC1)c1cc2ccccc2o1 ZINC000808005370 586458481 /nfs/dbraw/zinc/45/84/81/586458481.db2.gz CJOMDMWRFNSJJF-UHFFFAOYSA-N 0 0 242.322 3.547 20 30 BHEDRN CC(=CN=NCC1CCCC1)Cc1ccccc1 ZINC000808005414 586458325 /nfs/dbraw/zinc/45/83/25/586458325.db2.gz FDAMTAZPYYHBLG-SNFHWBTRSA-N 0 0 242.366 3.856 20 30 BHEDRN CC(=CN=NCC1CCCC1)Cc1ccccc1 ZINC000808005424 586458531 /nfs/dbraw/zinc/45/85/31/586458531.db2.gz FDAMTAZPYYHBLG-WKKPQSEESA-N 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644869190 /nfs/dbraw/zinc/86/91/90/644869190.db2.gz LLPZNSLGPDLZSC-UHFFFAOYSA-N 0 0 242.775 3.515 20 30 BHEDRN CCc1cccc(F)c1C=NNCC1CCCC1 ZINC000808005932 644869407 /nfs/dbraw/zinc/86/94/07/644869407.db2.gz MWIDPKRMUISSEK-UHFFFAOYSA-N 0 0 248.345 3.502 20 30 BHEDRN CC(=NNCC1CCCC1)c1sccc1C ZINC000808006001 644868795 /nfs/dbraw/zinc/86/87/95/644868795.db2.gz OMJLYCBTPWTEKS-UHFFFAOYSA-N 0 0 236.384 3.560 20 30 BHEDRN C[C@@H]1CCC(=NNCC2CCCC2)[C@@H](C)C1 ZINC000808006061 583590332 /nfs/dbraw/zinc/59/03/32/583590332.db2.gz OBVGJBPKLSTRHS-NEPJUHHUSA-N 0 0 222.376 3.578 20 30 BHEDRN C[C@@H]1C[C@@H](C)CCC1=NNCC1CCCC1 ZINC000808006062 583590341 /nfs/dbraw/zinc/59/03/41/583590341.db2.gz OBVGJBPKLSTRHS-NWDGAFQWSA-N 0 0 222.376 3.578 20 30 BHEDRN C[C@H]1CCC(=NNCC2CCCC2)[C@@H](C)C1 ZINC000808006064 583590301 /nfs/dbraw/zinc/59/03/01/583590301.db2.gz OBVGJBPKLSTRHS-RYUDHWBXSA-N 0 0 222.376 3.578 20 30 BHEDRN Clc1ccsc1C=NNCC1CCCC1 ZINC000808006066 586458491 /nfs/dbraw/zinc/45/84/91/586458491.db2.gz 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C[C@H]1CC(N=NCC2CCCC2)C[C@@H](C)C1 ZINC000808006340 644868843 /nfs/dbraw/zinc/86/88/43/644868843.db2.gz UNAUKZKOPFBXLC-TXEJJXNPSA-N 0 0 222.376 3.578 20 30 BHEDRN C[C@H]1CC(=NNCC2CCCC2)C[C@H](C)C1 ZINC000808006341 583590758 /nfs/dbraw/zinc/59/07/58/583590758.db2.gz UNAUKZKOPFBXLC-VXGBXAGGSA-N 0 0 222.376 3.578 20 30 BHEDRN CCCC(CCC)N=NCC1CCCC1 ZINC000808006383 644869291 /nfs/dbraw/zinc/86/92/91/644869291.db2.gz SBGSSDFADNKERH-UHFFFAOYSA-N 0 0 210.365 3.722 20 30 BHEDRN Clc1ccc(C=NNCC2CCCC2)s1 ZINC000808006420 636065727 /nfs/dbraw/zinc/06/57/27/636065727.db2.gz SYFMXZYOPWHOOL-UHFFFAOYSA-N 0 0 242.775 3.515 20 30 BHEDRN CC(CC1CCCC1)=NNCC1CCCC1 ZINC000808006430 644869275 /nfs/dbraw/zinc/86/92/75/644869275.db2.gz TWPATEPEBJJSNF-UHFFFAOYSA-N 0 0 222.376 3.722 20 30 BHEDRN CC1(C)CCCC(N=NCC2CCCC2)C1 ZINC000808006433 644869417 /nfs/dbraw/zinc/86/94/17/644869417.db2.gz WBQMAIDFYXYIIM-UHFFFAOYSA-N 0 0 222.376 3.722 20 30 BHEDRN CC(N=NCC1CCCC1)C1CCCCC1 ZINC000808006569 644868985 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/nfs/dbraw/zinc/63/54/81/586635481.db2.gz FOEIFNJDFYNKIN-UHFFFAOYSA-N 0 0 242.775 3.799 20 30 BHEDRN CCc1ccccc1NN=Cc1ccc(Cl)o1 ZINC000814801703 586635391 /nfs/dbraw/zinc/63/53/91/586635391.db2.gz KRBSDPYYPFIGOB-UHFFFAOYSA-N 0 0 248.713 3.941 20 30 BHEDRN CCc1ccccc1N=NC(C)CC(F)(F)F ZINC000814801754 586635460 /nfs/dbraw/zinc/63/54/60/586635460.db2.gz LMARSIKPIHGWEJ-UHFFFAOYSA-N 0 0 244.260 3.989 20 30 BHEDRN CCc1ccccc1N=NC1CCS[C@H]1C ZINC000814801969 586635377 /nfs/dbraw/zinc/63/53/77/586635377.db2.gz PYNCHRVKGJVYQK-JTQLQIEISA-N 0 0 234.368 3.542 20 30 BHEDRN CCc1ccccc1N=NC1CCS[C@@H]1C ZINC000814801970 586635419 /nfs/dbraw/zinc/63/54/19/586635419.db2.gz PYNCHRVKGJVYQK-SNVBAGLBSA-N 0 0 234.368 3.542 20 30 BHEDRN Cc1c(Cl)cccc1N=NC1CC(C)C1 ZINC000814802154 586635428 /nfs/dbraw/zinc/63/54/28/586635428.db2.gz TWJNUXXIOJLSOW-UHFFFAOYSA-N 0 0 222.719 3.846 20 30 BHEDRN Cc1c(Cl)cccc1N=NC1CC2(CC2)C1 ZINC000814802295 586635431 /nfs/dbraw/zinc/63/54/31/586635431.db2.gz ZSLMZZCCMQLUNO-UHFFFAOYSA-N 0 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ZINC000814805199 586635746 /nfs/dbraw/zinc/63/57/46/586635746.db2.gz BJLLDPVRXULQNJ-OAHLLOKOSA-N 0 0 244.382 3.775 20 30 BHEDRN CCCCNN=Cc1ccc(C2CCC2)cc1 ZINC000814805718 586636376 /nfs/dbraw/zinc/63/63/76/586636376.db2.gz LTUFCLKWFWXBDB-UHFFFAOYSA-N 0 0 230.355 3.678 20 30 BHEDRN CCCCNN=C1CC[C@H](c2ccccc2)C1 ZINC000814806028 583370978 /nfs/dbraw/zinc/37/09/78/583370978.db2.gz TZPFTYKMWKGUQU-AWEZNQCLSA-N 0 0 230.355 3.700 20 30 BHEDRN CCCCNN=C1CC[C@@H](c2ccccc2)C1 ZINC000814806029 583370867 /nfs/dbraw/zinc/37/08/67/583370867.db2.gz TZPFTYKMWKGUQU-CQSZACIVSA-N 0 0 230.355 3.700 20 30 BHEDRN C=CCCC(CCC)N=Nc1cc(C)nc(C)n1 ZINC000814807162 583371645 /nfs/dbraw/zinc/37/16/45/583371645.db2.gz IKOAFLNCOGSLRL-UHFFFAOYSA-N 0 0 246.358 3.628 20 30 BHEDRN CCC(CC)(CC)CN=Nc1cc(C)nc(C)n1 ZINC000814807389 586636363 /nfs/dbraw/zinc/63/63/63/586636363.db2.gz RVWGWGKUGVIKNL-UHFFFAOYSA-N 0 0 248.374 3.708 20 30 BHEDRN C[C@@H]1CC(N=Nc2nccc3sccc32)[C@H]1C ZINC000814808603 586636373 /nfs/dbraw/zinc/63/63/73/586636373.db2.gz CRBAJIWZVMSLBR-BDAKNGLRSA-N 0 0 245.351 3.740 20 30 BHEDRN C[C@H]1C(N=Nc2nccc3sccc32)C[C@@H]1C ZINC000814808604 586636440 /nfs/dbraw/zinc/63/64/40/586636440.db2.gz CRBAJIWZVMSLBR-DTWKUNHWSA-N 0 0 245.351 3.740 20 30 BHEDRN C[C@H]1CC(N=Nc2nccc3sccc32)[C@H]1C ZINC000814808605 586636338 /nfs/dbraw/zinc/63/63/38/586636338.db2.gz CRBAJIWZVMSLBR-IUCAKERBSA-N 0 0 245.351 3.740 20 30 BHEDRN C[C@@H]1CC(N=Nc2nccc3sccc32)[C@@H]1C ZINC000814808606 586636258 /nfs/dbraw/zinc/63/62/58/586636258.db2.gz CRBAJIWZVMSLBR-RKDXNWHRSA-N 0 0 245.351 3.740 20 30 BHEDRN C[C@@H]1CCC(N=Nc2nccc3sccc32)C1 ZINC000814809062 586636390 /nfs/dbraw/zinc/63/63/90/586636390.db2.gz NZVWCSBARXMLPE-SECBINFHSA-N 0 0 245.351 3.884 20 30 BHEDRN C[C@H]1CCC(N=Nc2nccc3sccc32)C1 ZINC000814809063 586636392 /nfs/dbraw/zinc/63/63/92/586636392.db2.gz NZVWCSBARXMLPE-VIFPVBQESA-N 0 0 245.351 3.884 20 30 BHEDRN CC1(C)CC(N=Nc2nccc3sccc32)C1 ZINC000814809067 583372263 /nfs/dbraw/zinc/37/22/63/583372263.db2.gz OGJOSIANWNTSIO-UHFFFAOYSA-N 0 0 245.351 3.884 20 30 BHEDRN c1cc2c(ccnc2N=NC2CC3(CC3)C2)s1 ZINC000814809228 586636222 /nfs/dbraw/zinc/63/62/22/586636222.db2.gz SDIQANAIBXVUKE-UHFFFAOYSA-N 0 0 243.335 3.638 20 30 BHEDRN CC(C)[C@H]1CCC1N=Nc1ncccc1Cl ZINC000814810300 583371477 /nfs/dbraw/zinc/37/14/77/583371477.db2.gz GWFNATUMQZHCHX-SECBINFHSA-N 0 0 237.734 3.569 20 30 BHEDRN CC(C)[C@@H]1CCC1N=Nc1ncccc1Cl ZINC000814810301 583371635 /nfs/dbraw/zinc/37/16/35/583371635.db2.gz GWFNATUMQZHCHX-VIFPVBQESA-N 0 0 237.734 3.569 20 30 BHEDRN CC(C)C1CC(N=Nc2ncccc2Cl)C1 ZINC000814810352 586636689 /nfs/dbraw/zinc/63/66/89/586636689.db2.gz JADKGEDYXWKFNT-UHFFFAOYSA-N 0 0 237.734 3.569 20 30 BHEDRN CCC(N=Nc1ncccc1Cl)c1ccco1 ZINC000814810376 586636822 /nfs/dbraw/zinc/63/68/22/586636822.db2.gz JWDDJEODYDDLLJ-UHFFFAOYSA-N 0 0 249.701 3.554 20 30 BHEDRN CC(N=Nc1ncccc1Cl)[C@H]1CC1(C)C ZINC000814810532 586636648 /nfs/dbraw/zinc/63/66/48/586636648.db2.gz PIJJNEBTWKKLTL-SECBINFHSA-N 0 0 237.734 3.569 20 30 BHEDRN CC(N=Nc1ncccc1Cl)[C@@H]1CC1(C)C ZINC000814810534 586636701 /nfs/dbraw/zinc/63/67/01/586636701.db2.gz PIJJNEBTWKKLTL-VIFPVBQESA-N 0 0 237.734 3.569 20 30 BHEDRN Clc1cccnc1N=NC1CC[C@H]1C1CCC1 ZINC000814810635 586636789 /nfs/dbraw/zinc/63/67/89/586636789.db2.gz DRHXPNAWRKFJHN-JTQLQIEISA-N 0 0 249.745 3.713 20 30 BHEDRN Clc1cccnc1N=NC1CC[C@@H]1C1CCC1 ZINC000814810636 583371755 /nfs/dbraw/zinc/37/17/55/583371755.db2.gz DRHXPNAWRKFJHN-SNVBAGLBSA-N 0 0 249.745 3.713 20 30 BHEDRN CC(C)CCCN=Nc1ncccc1Cl ZINC000814810875 586636711 /nfs/dbraw/zinc/63/67/11/586636711.db2.gz XRZLRIBZNPQDCR-UHFFFAOYSA-N 0 0 225.723 3.569 20 30 BHEDRN C[C@@H]1CCC(N=Nc2cc(F)cc(F)c2)C1 ZINC000814813165 586636739 /nfs/dbraw/zinc/63/67/39/586636739.db2.gz JDCJHRSQYSDMOJ-MRVPVSSYSA-N 0 0 224.254 3.553 20 30 BHEDRN C[C@H]1CCC(N=Nc2cc(F)cc(F)c2)C1 ZINC000814813174 586636779 /nfs/dbraw/zinc/63/67/79/586636779.db2.gz JDCJHRSQYSDMOJ-QMMMGPOBSA-N 0 0 224.254 3.553 20 30 BHEDRN Fc1cccc(NN=Cc2ccc(Cl)o2)c1 ZINC000814814800 586637166 /nfs/dbraw/zinc/63/71/66/586637166.db2.gz ALVBZAOQIPQASX-UHFFFAOYSA-N 0 0 238.649 3.518 20 30 BHEDRN Fc1cccc(N=NC2CC[C@@H]2C2CCC2)c1 ZINC000814814815 586637193 /nfs/dbraw/zinc/63/71/93/586637193.db2.gz AYVCEUKJMMUSAB-CYBMUJFWSA-N 0 0 232.302 3.804 20 30 BHEDRN Fc1cccc(N=NC2CC[C@H]2C2CCC2)c1 ZINC000814814816 586637154 /nfs/dbraw/zinc/63/71/54/586637154.db2.gz AYVCEUKJMMUSAB-ZDUSSCGKSA-N 0 0 232.302 3.804 20 30 BHEDRN CC(CC(F)(F)F)=NN[C@@H](C)c1ccccc1 ZINC000814814902 586637179 /nfs/dbraw/zinc/63/71/79/586637179.db2.gz DYQPIIBLJSEFKA-JTQLQIEISA-N 0 0 244.260 3.666 20 30 BHEDRN CC(CC(F)(F)F)=NN[C@H](C)c1ccccc1 ZINC000814814903 586637031 /nfs/dbraw/zinc/63/70/31/586637031.db2.gz DYQPIIBLJSEFKA-SNVBAGLBSA-N 0 0 244.260 3.666 20 30 BHEDRN CCC(=NNc1cccc(F)c1)c1ccco1 ZINC000814815086 586637118 /nfs/dbraw/zinc/63/71/18/586637118.db2.gz MNMOPIUBRFEHAV-UHFFFAOYSA-N 0 0 232.258 3.645 20 30 BHEDRN CC(CC(F)(F)F)N=Nc1cccc(F)c1 ZINC000814815099 586637144 /nfs/dbraw/zinc/63/71/44/586637144.db2.gz MYZPZAIEHGZIDW-UHFFFAOYSA-N 0 0 234.196 3.566 20 30 BHEDRN Cc1sccc1C=NN[C@H](C)c1ccccc1 ZINC000814815173 586637135 /nfs/dbraw/zinc/63/71/35/586637135.db2.gz PCXSNPDMLJBZMQ-LLVKDONJSA-N 0 0 244.363 3.741 20 30 BHEDRN Cc1sccc1C=NN[C@@H](C)c1ccccc1 ZINC000814815174 586637129 /nfs/dbraw/zinc/63/71/29/586637129.db2.gz PCXSNPDMLJBZMQ-NSHDSACASA-N 0 0 244.363 3.741 20 30 BHEDRN C[C@@H](NN=C1CC[C@H]1C1CCC1)c1ccccc1 ZINC000814815209 583372508 /nfs/dbraw/zinc/37/25/08/583372508.db2.gz QFDYKIDMLMPABW-DOMZBBRYSA-N 0 0 242.366 3.903 20 30 BHEDRN C[C@@H](NN=C1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000814815210 583372907 /nfs/dbraw/zinc/37/29/07/583372907.db2.gz QFDYKIDMLMPABW-IUODEOHRSA-N 0 0 242.366 3.903 20 30 BHEDRN C[C@H](NN=C1CC[C@@H]1C1CCC1)c1ccccc1 ZINC000814815211 583372242 /nfs/dbraw/zinc/37/22/42/583372242.db2.gz QFDYKIDMLMPABW-SWLSCSKDSA-N 0 0 242.366 3.903 20 30 BHEDRN C[C@H](NN=C1CC[C@H]1C1CCC1)c1ccccc1 ZINC000814815212 583372702 /nfs/dbraw/zinc/37/27/02/583372702.db2.gz QFDYKIDMLMPABW-WFASDCNBSA-N 0 0 242.366 3.903 20 30 BHEDRN CCC(=NN[C@H](C)c1ccccc1)c1ccco1 ZINC000814815267 586636903 /nfs/dbraw/zinc/63/69/03/586636903.db2.gz RNAUWXJNBMHJRY-GFCCVEGCSA-N 0 0 242.322 3.745 20 30 BHEDRN CCC(=NN[C@@H](C)c1ccccc1)c1ccco1 ZINC000814815268 586637138 /nfs/dbraw/zinc/63/71/38/586637138.db2.gz RNAUWXJNBMHJRY-LBPRGKRZSA-N 0 0 242.322 3.745 20 30 BHEDRN CC(N=Nc1cccc(F)c1)[C@H]1CC1(C)C ZINC000814815291 586637122 /nfs/dbraw/zinc/63/71/22/586637122.db2.gz SFSPRNZTCZEPPR-GFCCVEGCSA-N 0 0 220.291 3.660 20 30 BHEDRN CC(N=Nc1cccc(F)c1)[C@@H]1CC1(C)C ZINC000814815292 586636964 /nfs/dbraw/zinc/63/69/64/586636964.db2.gz SFSPRNZTCZEPPR-LBPRGKRZSA-N 0 0 220.291 3.660 20 30 BHEDRN C[C@H](NN=Cc1ccc(Cl)o1)c1ccccc1 ZINC000814815306 586637134 /nfs/dbraw/zinc/63/71/34/586637134.db2.gz SOKSBCYHFBOYOV-JTQLQIEISA-N 0 0 248.713 3.618 20 30 BHEDRN C[C@@H](NN=Cc1ccc(Cl)o1)c1ccccc1 ZINC000814815307 586637186 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585022319 /nfs/dbraw/zinc/02/23/19/585022319.db2.gz JARPBNLJMKZGLU-JTQLQIEISA-N 0 0 237.734 3.569 20 30 BHEDRN CC(C)[C@H]1CCC1N=Nc1cc(Cl)ccn1 ZINC000814898021 585022326 /nfs/dbraw/zinc/02/23/26/585022326.db2.gz JARPBNLJMKZGLU-SNVBAGLBSA-N 0 0 237.734 3.569 20 30 BHEDRN CC(C)CCCN=Nc1cc(Cl)ccn1 ZINC000814898905 586645741 /nfs/dbraw/zinc/64/57/41/586645741.db2.gz WXFLZJJFMQNZLH-UHFFFAOYSA-N 0 0 225.723 3.569 20 30 BHEDRN CCC(N=Nc1cc(Cl)ccn1)c1ccco1 ZINC000814898908 586645892 /nfs/dbraw/zinc/64/58/92/586645892.db2.gz XFAYZSBSACQWLG-UHFFFAOYSA-N 0 0 249.701 3.554 20 30 BHEDRN Clc1ccnc(N=NC2CC[C@@H]2C2CCC2)c1 ZINC000814899317 585025302 /nfs/dbraw/zinc/02/53/02/585025302.db2.gz PSYCUCSCUXNPLW-LLVKDONJSA-N 0 0 249.745 3.713 20 30 BHEDRN Clc1ccnc(N=NC2CC[C@H]2C2CCC2)c1 ZINC000814899318 585025443 /nfs/dbraw/zinc/02/54/43/585025443.db2.gz PSYCUCSCUXNPLW-NSHDSACASA-N 0 0 249.745 3.713 20 30 BHEDRN C=CCCC(CCC)N=Nc1cccc(OC)n1 ZINC000814900381 586646193 /nfs/dbraw/zinc/64/61/93/586646193.db2.gz 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ZINC000814902204 586646777 /nfs/dbraw/zinc/64/67/77/586646777.db2.gz ISPFYNCUQXNHSV-UHFFFAOYSA-N 0 0 247.317 3.733 20 30 BHEDRN CC(C)(C)CCNN=Cc1cccc2cc[nH]c21 ZINC000814902216 584892244 /nfs/dbraw/zinc/89/22/44/584892244.db2.gz NZOLHNLMARZTCB-UHFFFAOYSA-N 0 0 243.354 3.528 20 30 BHEDRN CCC(CC)(CC)CN=Nc1ccnc(F)c1 ZINC000814902414 586646700 /nfs/dbraw/zinc/64/67/00/586646700.db2.gz MOZBDTHVVUAIDA-UHFFFAOYSA-N 0 0 237.322 3.835 20 30 BHEDRN C=CCCC(CCC)N=Nc1ccnc(F)c1 ZINC000814902416 586646569 /nfs/dbraw/zinc/64/65/69/586646569.db2.gz MRPBGANIHBDSKM-UHFFFAOYSA-N 0 0 235.306 3.755 20 30 BHEDRN C[C@H](CN=Nc1ccnc(F)c1)C1CCCCC1 ZINC000814902763 586646600 /nfs/dbraw/zinc/64/66/00/586646600.db2.gz UTTRTKDBTRBSEN-LLVKDONJSA-N 0 0 249.333 3.835 20 30 BHEDRN C[C@@H](CN=Nc1ccnc(F)c1)C1CCCCC1 ZINC000814902765 586646593 /nfs/dbraw/zinc/64/65/93/586646593.db2.gz UTTRTKDBTRBSEN-NSHDSACASA-N 0 0 249.333 3.835 20 30 BHEDRN C1=C([C@@H]2CCCCC2=NNC2CC2)CCCC1 ZINC000814903030 586646812 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ZINC000814903776 586647159 /nfs/dbraw/zinc/64/71/59/586647159.db2.gz ZXCAFKNCQRMAAP-CQSZACIVSA-N 0 0 234.387 3.865 20 30 BHEDRN FC(F)CON=C1CCCCC12CCCC2 ZINC000814903804 586647028 /nfs/dbraw/zinc/64/70/28/586647028.db2.gz BCVFRKLVFDLNJT-UHFFFAOYSA-N 0 0 231.286 3.759 20 30 BHEDRN CC(=NOCC(F)F)c1cccc(C2CC2)c1 ZINC000814904126 586647105 /nfs/dbraw/zinc/64/71/05/586647105.db2.gz STVLSGOGJUAMPM-UHFFFAOYSA-N 0 0 239.265 3.570 20 30 BHEDRN FC(F)CON=C1CC[C@@H](c2ccccc2)C1 ZINC000814904127 584895582 /nfs/dbraw/zinc/89/55/82/584895582.db2.gz SWYBYDSECPLRKK-LLVKDONJSA-N 0 0 239.265 3.592 20 30 BHEDRN FC(F)CON=C1CC[C@H](c2ccccc2)C1 ZINC000814904128 584895520 /nfs/dbraw/zinc/89/55/20/584895520.db2.gz SWYBYDSECPLRKK-NSHDSACASA-N 0 0 239.265 3.592 20 30 BHEDRN FC(F)CON=Cc1ccc(C2CCC2)cc1 ZINC000814904164 586647728 /nfs/dbraw/zinc/64/77/28/586647728.db2.gz VYHJDNAICDRCQS-UHFFFAOYSA-N 0 0 239.265 3.570 20 30 BHEDRN FC(F)(F)CNN=C1CCCCC12CCCC2 ZINC000814904524 586647608 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XSFCZRXXUUMTSP-AWEZNQCLSA-N 0 0 243.350 3.954 20 30 BHEDRN c1ccc(C[C@H]2CCC(=NOC3CCC3)C2)cc1 ZINC000814936532 586655143 /nfs/dbraw/zinc/65/51/43/586655143.db2.gz XSFCZRXXUUMTSP-CQSZACIVSA-N 0 0 243.350 3.954 20 30 BHEDRN c1ccc([C@@H]2CCC(=NOC3CCC3)C2)cc1 ZINC000814936625 586655023 /nfs/dbraw/zinc/65/50/23/586655023.db2.gz CNOCAXSARJIBOX-CYBMUJFWSA-N 0 0 229.323 3.879 20 30 BHEDRN c1ccc([C@H]2CCC(=NOC3CCC3)C2)cc1 ZINC000814936626 586655101 /nfs/dbraw/zinc/65/51/01/586655101.db2.gz CNOCAXSARJIBOX-ZDUSSCGKSA-N 0 0 229.323 3.879 20 30 BHEDRN CC[C@@H](C=NOCCOC(C)C)c1ccccc1 ZINC000814936824 586655260 /nfs/dbraw/zinc/65/52/60/586655260.db2.gz LDTWYTUCYCFADN-AWEZNQCLSA-N 0 0 249.354 3.608 20 30 BHEDRN CC[C@H](C=NOCCOC(C)C)c1ccccc1 ZINC000814936825 586655119 /nfs/dbraw/zinc/65/51/19/586655119.db2.gz LDTWYTUCYCFADN-CQSZACIVSA-N 0 0 249.354 3.608 20 30 BHEDRN C=CCCC(CCC)=NOCCOC(C)C ZINC000814936862 586655197 /nfs/dbraw/zinc/65/51/97/586655197.db2.gz MGSDUQUWAGCXJE-UHFFFAOYSA-N 0 0 227.348 3.550 20 30 BHEDRN CC(C)OCCON=C1CCCC12CCCC2 ZINC000814936919 586655171 /nfs/dbraw/zinc/65/51/71/586655171.db2.gz OAELXMNQNMUJCC-UHFFFAOYSA-N 0 0 239.359 3.528 20 30 BHEDRN CCC(=NOC1CCC1)c1ccc(F)cc1F ZINC000814937118 586655241 /nfs/dbraw/zinc/65/52/41/586655241.db2.gz VQMPXYKUYUKOMF-UHFFFAOYSA-N 0 0 239.265 3.648 20 30 BHEDRN C[C@H](C=NOC1CCC1)C1CCCCC1 ZINC000814937223 584969601 /nfs/dbraw/zinc/96/96/01/584969601.db2.gz YPRAIVNTAGNERW-LLVKDONJSA-N 0 0 209.333 3.758 20 30 BHEDRN C[C@@H](C=NOC1CCC1)C1CCCCC1 ZINC000814937224 584969649 /nfs/dbraw/zinc/96/96/49/584969649.db2.gz YPRAIVNTAGNERW-NSHDSACASA-N 0 0 209.333 3.758 20 30 BHEDRN CC(C)OCCON=C[C@@H](C)C1CCCCC1 ZINC000814937236 586655231 /nfs/dbraw/zinc/65/52/31/586655231.db2.gz ZDJRPJNYXWOOLT-CYBMUJFWSA-N 0 0 241.375 3.630 20 30 BHEDRN CC(C)OCCON=C[C@H](C)C1CCCCC1 ZINC000814937237 586655286 /nfs/dbraw/zinc/65/52/86/586655286.db2.gz ZDJRPJNYXWOOLT-ZDUSSCGKSA-N 0 0 241.375 3.630 20 30 BHEDRN CCC(C=NOCCOC(C)C)(CC)CC ZINC000814937243 586655165 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/nfs/dbraw/zinc/65/54/19/586655419.db2.gz IVWOHMKMLWJCHH-VXGBXAGGSA-N 0 0 236.359 3.755 20 30 BHEDRN CC(C)[C@H]1CCC1N=Nc1cccc(Cl)n1 ZINC000814939234 586655493 /nfs/dbraw/zinc/65/54/93/586655493.db2.gz JGSLDUAYNZPQTB-SECBINFHSA-N 0 0 237.734 3.569 20 30 BHEDRN CC(C)[C@@H]1CCC1N=Nc1cccc(Cl)n1 ZINC000814939235 586655504 /nfs/dbraw/zinc/65/55/04/586655504.db2.gz JGSLDUAYNZPQTB-VIFPVBQESA-N 0 0 237.734 3.569 20 30 BHEDRN CCCC(=NOC[C@H](C)CC)c1ccccn1 ZINC000814939338 586655496 /nfs/dbraw/zinc/65/54/96/586655496.db2.gz NLTKKROULYHESX-GFCCVEGCSA-N 0 0 234.343 3.649 20 30 BHEDRN CCCC(=NOC[C@@H](C)CC)c1ccccn1 ZINC000814939339 586655651 /nfs/dbraw/zinc/65/56/51/586655651.db2.gz NLTKKROULYHESX-LBPRGKRZSA-N 0 0 234.343 3.649 20 30 BHEDRN CC[C@H](C)CON=C1CC[C@@H]1C1CCC1 ZINC000814939496 586655563 /nfs/dbraw/zinc/65/55/63/586655563.db2.gz SJIYSJCLWBDFCI-CMPLNLGQSA-N 0 0 209.333 3.615 20 30 BHEDRN CC[C@H](C)CON=C1CC[C@H]1C1CCC1 ZINC000814939497 586655408 /nfs/dbraw/zinc/65/54/08/586655408.db2.gz SJIYSJCLWBDFCI-JQWIXIFHSA-N 0 0 209.333 3.615 20 30 BHEDRN CC[C@@H](C)CON=C1CC[C@H]1C1CCC1 ZINC000814939498 586655569 /nfs/dbraw/zinc/65/55/69/586655569.db2.gz SJIYSJCLWBDFCI-PWSUYJOCSA-N 0 0 209.333 3.615 20 30 BHEDRN CC[C@@H](C)CON=C1CC[C@@H]1C1CCC1 ZINC000814939499 586655587 /nfs/dbraw/zinc/65/55/87/586655587.db2.gz SJIYSJCLWBDFCI-ZYHUDNBSSA-N 0 0 209.333 3.615 20 30 BHEDRN CC(C)CCCN=Nc1cccc(Cl)n1 ZINC000814939543 586655465 /nfs/dbraw/zinc/65/54/65/586655465.db2.gz UZYFRCPURCXMAA-UHFFFAOYSA-N 0 0 225.723 3.569 20 30 BHEDRN CCCC(=NOC[C@H](C)CC)c1cccnc1 ZINC000814939550 586655463 /nfs/dbraw/zinc/65/54/63/586655463.db2.gz VISDRDLEXIULGP-GFCCVEGCSA-N 0 0 234.343 3.649 20 30 BHEDRN CCCC(=NOC[C@@H](C)CC)c1cccnc1 ZINC000814939551 586655464 /nfs/dbraw/zinc/65/54/64/586655464.db2.gz VISDRDLEXIULGP-LBPRGKRZSA-N 0 0 234.343 3.649 20 30 BHEDRN Clc1cccc(N=NC2CC[C@H]2C2CCC2)n1 ZINC000814939579 586655647 /nfs/dbraw/zinc/65/56/47/586655647.db2.gz WEUMKFKOZKUNKD-JTQLQIEISA-N 0 0 249.745 3.713 20 30 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239.265 3.623 20 30 BHEDRN CCC(=NOC/C=C\Cl)C1CCCC1 ZINC000834978409 645153814 /nfs/dbraw/zinc/15/38/14/645153814.db2.gz GAGCPMMNWPQOOS-DBIHJRTBSA-N 0 0 215.724 3.712 20 30 BHEDRN CCC(=NOC/C=C/Cl)C1CCCC1 ZINC000834978411 645153237 /nfs/dbraw/zinc/15/32/37/645153237.db2.gz GAGCPMMNWPQOOS-JPWQVFTHSA-N 0 0 215.724 3.712 20 30 BHEDRN CC1(C)CCC[C@H]1NN=C1CCC(C)(C#N)CC1 ZINC000834978417 645153760 /nfs/dbraw/zinc/15/37/60/645153760.db2.gz SYBLEHBMACCSGR-AFYYWNPRSA-N 0 0 247.386 3.615 20 30 BHEDRN CC1(C)CCC[C@@H]1NN=C1CCC(C)(C#N)CC1 ZINC000834978420 645153497 /nfs/dbraw/zinc/15/34/97/645153497.db2.gz SYBLEHBMACCSGR-CFMCSPIPSA-N 0 0 247.386 3.615 20 30 BHEDRN CSCC1CCC(=NOC/C=C/Cl)CC1 ZINC000834978687 584916366 /nfs/dbraw/zinc/91/63/66/584916366.db2.gz IHDMDHKKLJDYAA-FYCOCNIFSA-N 0 0 247.791 3.665 20 30 BHEDRN CSCC1CCC(=NOC/C=C\Cl)CC1 ZINC000834978695 584916477 /nfs/dbraw/zinc/91/64/77/584916477.db2.gz IHDMDHKKLJDYAA-RAICGKKJSA-N 0 0 247.791 3.665 20 30 BHEDRN CCC(=NOC/C=C\Cl)c1ccsc1 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/nfs/dbraw/zinc/77/52/93/587775293.db2.gz JQOZPRINVKKDSP-JQWIXIFHSA-N 0 0 249.333 3.835 20 30 BHEDRN CC(N=Nc1cccc(F)n1)[C@H]1CCCC[C@H]1C ZINC000834979487 587775320 /nfs/dbraw/zinc/77/53/20/587775320.db2.gz JQOZPRINVKKDSP-PWSUYJOCSA-N 0 0 249.333 3.835 20 30 BHEDRN CC(N=Nc1cccc(F)n1)[C@@H]1CCCC[C@H]1C ZINC000834979488 587775411 /nfs/dbraw/zinc/77/54/11/587775411.db2.gz JQOZPRINVKKDSP-ZYHUDNBSSA-N 0 0 249.333 3.835 20 30 BHEDRN C=CCCCCC(C)=NOC/C=C/Cl ZINC000834979513 584916680 /nfs/dbraw/zinc/91/66/80/584916680.db2.gz OAXWTIFEVPXNKS-KQIXCLQISA-N 0 0 215.724 3.878 20 30 BHEDRN C=CCCCCC(C)=NOC/C=C\Cl ZINC000834979518 584916682 /nfs/dbraw/zinc/91/66/82/584916682.db2.gz OAXWTIFEVPXNKS-RRDRFLTCSA-N 0 0 215.724 3.878 20 30 BHEDRN CC[C@@H](C)CCN=Nc1nccnc1C1CCC1 ZINC000834979765 587775558 /nfs/dbraw/zinc/77/55/58/587775558.db2.gz NIQLEERMSKALCH-LLVKDONJSA-N 0 0 246.358 3.578 20 30 BHEDRN CC[C@H](C)CCN=Nc1nccnc1C1CCC1 ZINC000834979768 587775609 /nfs/dbraw/zinc/77/56/09/587775609.db2.gz 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CCC(N=Nc1cccc(Cl)n1)C1CCC1 ZINC000834980906 587775825 /nfs/dbraw/zinc/77/58/25/587775825.db2.gz FEHHRQLSIGNRKR-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN C#CCCCCCC=NOC[C@H](C)CC ZINC000834980932 587775765 /nfs/dbraw/zinc/77/57/65/587775765.db2.gz FIEWDAUEWMRVED-CYBMUJFWSA-N 0 0 209.333 3.619 20 30 BHEDRN C#CCCCCCC=NOC[C@@H](C)CC ZINC000834980933 587775791 /nfs/dbraw/zinc/77/57/91/587775791.db2.gz FIEWDAUEWMRVED-ZDUSSCGKSA-N 0 0 209.333 3.619 20 30 BHEDRN C=C(C)CNN=C1CCCC12CCCCC2 ZINC000834981121 587775807 /nfs/dbraw/zinc/77/58/07/587775807.db2.gz XVVCVWDXPNFPPV-UHFFFAOYSA-N 0 0 220.360 3.643 20 30 BHEDRN C#CCCCCCCN=Nc1cccc(Cl)n1 ZINC000834981217 587775902 /nfs/dbraw/zinc/77/59/02/587775902.db2.gz KBUAPBAINKNNCE-UHFFFAOYSA-N 0 0 249.745 3.716 20 30 BHEDRN CC[C@@H](C)CON=C(C)CCCc1cccnc1 ZINC000834981279 645153768 /nfs/dbraw/zinc/15/37/68/645153768.db2.gz LNIDOWOEFOKZHC-CYBMUJFWSA-N 0 0 248.370 3.843 20 30 BHEDRN CC[C@H](C)CON=C(C)CCCc1cccnc1 ZINC000834981280 645153888 /nfs/dbraw/zinc/15/38/88/645153888.db2.gz LNIDOWOEFOKZHC-ZDUSSCGKSA-N 0 0 248.370 3.843 20 30 BHEDRN C=CCCCCC(C)=NOCCOC(C)C ZINC000834981340 645153292 /nfs/dbraw/zinc/15/32/92/645153292.db2.gz MYYIDBAFWIKAKJ-UHFFFAOYSA-N 0 0 227.348 3.550 20 30 BHEDRN CC[C@H](C)CON=C1CCC(C)(C#N)CC1 ZINC000834981423 645155441 /nfs/dbraw/zinc/15/54/41/645155441.db2.gz ORCZMEIDSCJGTM-AMGKYWFPSA-N 0 0 222.332 3.509 20 30 BHEDRN CC[C@@H](C)CON=C1CCC(C)(C#N)CC1 ZINC000834981424 645155232 /nfs/dbraw/zinc/15/52/32/645155232.db2.gz ORCZMEIDSCJGTM-JTDNENJMSA-N 0 0 222.332 3.509 20 30 BHEDRN CC[C@@H](C)CON=C1CCC(CSC)CC1 ZINC000834981425 645154954 /nfs/dbraw/zinc/15/49/54/645154954.db2.gz OSOQAMLOYQUIKW-JHJMLUEUSA-N 0 0 243.416 3.958 20 30 BHEDRN CC[C@H](C)CON=C1CCC(CSC)CC1 ZINC000834981426 645153622 /nfs/dbraw/zinc/15/36/22/645153622.db2.gz OSOQAMLOYQUIKW-PXYINDEMSA-N 0 0 243.416 3.958 20 30 BHEDRN CC1(CNN=C2CCC(C)(C#N)CC2)CCCC1 ZINC000834981542 584916733 /nfs/dbraw/zinc/91/67/33/584916733.db2.gz RSJHZBXLTCFCKR-UHFFFAOYSA-N 0 0 247.386 3.616 20 30 BHEDRN CC[C@@H](C)CCN=Nc1cccc(Cl)n1 ZINC000834981618 645155237 /nfs/dbraw/zinc/15/52/37/645155237.db2.gz UQSNSXPFINHMNJ-SECBINFHSA-N 0 0 225.723 3.569 20 30 BHEDRN CC[C@H](C)CCN=Nc1cccc(Cl)n1 ZINC000834981619 645154969 /nfs/dbraw/zinc/15/49/69/645154969.db2.gz UQSNSXPFINHMNJ-VIFPVBQESA-N 0 0 225.723 3.569 20 30 BHEDRN C[C@@H](NN=C1CCCC12CCC2)C(C)(C)C ZINC000834981701 584916757 /nfs/dbraw/zinc/91/67/57/584916757.db2.gz XCHKCDYVHUGDJL-LLVKDONJSA-N 0 0 222.376 3.721 20 30 BHEDRN C[C@H](NN=C1CCCC12CCC2)C(C)(C)C ZINC000834981702 584916703 /nfs/dbraw/zinc/91/67/03/584916703.db2.gz XCHKCDYVHUGDJL-NSHDSACASA-N 0 0 222.376 3.721 20 30 BHEDRN CC(CC(C)(C)C)N=Nc1cccc(Cl)n1 ZINC000834981782 645155153 /nfs/dbraw/zinc/15/51/53/645155153.db2.gz ZQSDUHJKIVRUJK-UHFFFAOYSA-N 0 0 239.750 3.959 20 30 BHEDRN Clc1cccc(N=NC2CCCC23CCC3)n1 ZINC000834981952 584916742 /nfs/dbraw/zinc/91/67/42/584916742.db2.gz GYOPAMCZPPQPRA-UHFFFAOYSA-N 0 0 249.745 3.857 20 30 BHEDRN CC(=NOCC1CC1)c1c(C)oc2ccccc21 ZINC000834982029 587775919 /nfs/dbraw/zinc/77/59/19/587775919.db2.gz KFXDYNVUFDHBFX-UHFFFAOYSA-N 0 0 243.306 3.892 20 30 BHEDRN CC(C)(C=NOCCC1CC1)Oc1ccccc1 ZINC000834982041 587775985 /nfs/dbraw/zinc/77/59/85/587775985.db2.gz KNTBJDQGLREQBZ-UHFFFAOYSA-N 0 0 247.338 3.647 20 30 BHEDRN C(CC1CC1)ON=C1CCCC12CCC2 ZINC000834982064 587775993 /nfs/dbraw/zinc/77/59/93/587775993.db2.gz LHGXRAXGFJGTSR-UHFFFAOYSA-N 0 0 207.317 3.513 20 30 BHEDRN CC(CCCc1cccnc1)=NOCCC1CC1 ZINC000834982175 587775978 /nfs/dbraw/zinc/77/59/78/587775978.db2.gz PRXSPIVUZHSRNS-UHFFFAOYSA-N 0 0 246.354 3.597 20 30 BHEDRN CSCC1CCC(=NOCCC2CC2)CC1 ZINC000834982251 584916734 /nfs/dbraw/zinc/91/67/34/584916734.db2.gz SWLNKUDHXGJAHC-UHFFFAOYSA-N 0 0 241.400 3.712 20 30 BHEDRN CC(Cc1coc2ccccc12)=NOCC1CC1 ZINC000834982492 587775984 /nfs/dbraw/zinc/77/59/84/587775984.db2.gz ZOKBTFQFHLAJFN-UHFFFAOYSA-N 0 0 243.306 3.778 20 30 BHEDRN CCC(CC)N=Nc1cc(C(F)(F)F)ccn1 ZINC000834983652 587776129 /nfs/dbraw/zinc/77/61/29/587776129.db2.gz RNTXEEMZBCFDCT-UHFFFAOYSA-N 0 0 245.248 3.688 20 30 BHEDRN CCCCCN=Nc1cc(C(F)(F)F)ccn1 ZINC000834983761 587776227 /nfs/dbraw/zinc/77/62/27/587776227.db2.gz FWPGRMUEQMYLBS-UHFFFAOYSA-N 0 0 245.248 3.688 20 30 BHEDRN CCCC(C)N=Nc1cc(C(F)(F)F)ccn1 ZINC000834983811 587776192 /nfs/dbraw/zinc/77/61/92/587776192.db2.gz HONLEKXUHLCYSD-UHFFFAOYSA-N 0 0 245.248 3.688 20 30 BHEDRN CC(C)C(C)N=Nc1cc(C(F)(F)F)ccn1 ZINC000834983953 587776318 /nfs/dbraw/zinc/77/63/18/587776318.db2.gz YUJQYMWKRYKMSJ-UHFFFAOYSA-N 0 0 245.248 3.544 20 30 BHEDRN CC(C)(C)CN=Nc1cc(C(F)(F)F)ccn1 ZINC000834984023 587776258 /nfs/dbraw/zinc/77/62/58/587776258.db2.gz KULFRPCJOSNPLX-UHFFFAOYSA-N 0 0 245.248 3.544 20 30 BHEDRN CC(C)CCN=Nc1cc(C(F)(F)F)ccn1 ZINC000834984324 587776221 /nfs/dbraw/zinc/77/62/21/587776221.db2.gz UNRJBMGPDDRKIO-UHFFFAOYSA-N 0 0 245.248 3.544 20 30 BHEDRN CC[C@@H](C)CN=Nc1cc(C(F)(F)F)ccn1 ZINC000834984822 587776185 /nfs/dbraw/zinc/77/61/85/587776185.db2.gz ZRSYOOCPOVWNSM-MRVPVSSYSA-N 0 0 245.248 3.544 20 30 BHEDRN CC[C@H](C)CN=Nc1cc(C(F)(F)F)ccn1 ZINC000834984850 587776330 /nfs/dbraw/zinc/77/63/30/587776330.db2.gz ZRSYOOCPOVWNSM-QMMMGPOBSA-N 0 0 245.248 3.544 20 30 BHEDRN CCC(C[C@H](C)CC)=NN[C@@H](C)C(F)(F)F ZINC000834995991 587776232 /nfs/dbraw/zinc/77/62/32/587776232.db2.gz MZTNDBPFELKNQX-BDAKNGLRSA-N 0 0 238.297 3.729 20 30 BHEDRN CCC(C[C@@H](C)CC)=NN[C@H](C)C(F)(F)F ZINC000834995992 587776304 /nfs/dbraw/zinc/77/63/04/587776304.db2.gz MZTNDBPFELKNQX-DTWKUNHWSA-N 0 0 238.297 3.729 20 30 BHEDRN CCC(C[C@@H](C)CC)=NN[C@@H](C)C(F)(F)F ZINC000834995993 587776181 /nfs/dbraw/zinc/77/61/81/587776181.db2.gz MZTNDBPFELKNQX-IUCAKERBSA-N 0 0 238.297 3.729 20 30 BHEDRN CCC(C[C@H](C)CC)=NN[C@H](C)C(F)(F)F ZINC000834995994 587776216 /nfs/dbraw/zinc/77/62/16/587776216.db2.gz MZTNDBPFELKNQX-RKDXNWHRSA-N 0 0 238.297 3.729 20 30 BHEDRN C[C@@H](NN=C1CCCCCCC1)C(F)(F)F ZINC000834996161 587776139 /nfs/dbraw/zinc/77/61/39/587776139.db2.gz HMFCZEHKRAKLNB-SECBINFHSA-N 0 0 236.281 3.627 20 30 BHEDRN C[C@H](NN=C1CCCCCCC1)C(F)(F)F ZINC000834996163 587776133 /nfs/dbraw/zinc/77/61/33/587776133.db2.gz HMFCZEHKRAKLNB-VIFPVBQESA-N 0 0 236.281 3.627 20 30 BHEDRN C=CCCC(CCC)N=N[C@H](C)C(F)(F)F ZINC000834998279 587776458 /nfs/dbraw/zinc/77/64/58/587776458.db2.gz DZBGURXOXFPYST-SECBINFHSA-N 0 0 236.281 3.649 20 30 BHEDRN C=CCCC(CCC)N=N[C@@H](C)C(F)(F)F ZINC000834998281 587776471 /nfs/dbraw/zinc/77/64/71/587776471.db2.gz DZBGURXOXFPYST-VIFPVBQESA-N 0 0 236.281 3.649 20 30 BHEDRN CSc1ccc(N=NC2CC[C@H](C)C2)cc1 ZINC000834998329 587776459 /nfs/dbraw/zinc/77/64/59/587776459.db2.gz FSJDFLGUGJYPPQ-JTQLQIEISA-N 0 0 234.368 3.996 20 30 BHEDRN CSc1ccc(N=NC2CC[C@@H](C)C2)cc1 ZINC000834998331 587776493 /nfs/dbraw/zinc/77/64/93/587776493.db2.gz FSJDFLGUGJYPPQ-SNVBAGLBSA-N 0 0 234.368 3.996 20 30 BHEDRN CSc1ccc(N=NC(C)CC2CC2)cc1 ZINC000834998339 587776402 /nfs/dbraw/zinc/77/64/02/587776402.db2.gz FYCXCEUYUISMOL-UHFFFAOYSA-N 0 0 234.368 3.996 20 30 BHEDRN CSc1ccc(N=NC2CCC2(C)C)cc1 ZINC000834998951 587776757 /nfs/dbraw/zinc/77/67/57/587776757.db2.gz OMIYHKBIGWMLLS-UHFFFAOYSA-N 0 0 234.368 3.996 20 30 BHEDRN CC[C@H]1CCC1N=Nc1ccc(SC)cc1 ZINC000834999198 641752486 /nfs/dbraw/zinc/75/24/86/641752486.db2.gz RZJJEWRLZROMLR-JTQLQIEISA-N 0 0 234.368 3.996 20 30 BHEDRN CC[C@@H]1CCC1N=Nc1ccc(SC)cc1 ZINC000834999199 641753216 /nfs/dbraw/zinc/75/32/16/641753216.db2.gz RZJJEWRLZROMLR-SNVBAGLBSA-N 0 0 234.368 3.996 20 30 BHEDRN CSc1ccc(N=NC2CCC[C@@H]2C)cc1 ZINC000834999214 587776563 /nfs/dbraw/zinc/77/65/63/587776563.db2.gz SHAVKDSXPAHNPP-JTQLQIEISA-N 0 0 234.368 3.996 20 30 BHEDRN CSc1ccc(N=NC2CCC[C@H]2C)cc1 ZINC000834999215 587776630 /nfs/dbraw/zinc/77/66/30/587776630.db2.gz SHAVKDSXPAHNPP-SNVBAGLBSA-N 0 0 234.368 3.996 20 30 BHEDRN CC(C)ON=C1C[C@H](c2ccccc2)[C@@H]1C ZINC000834999327 587776694 /nfs/dbraw/zinc/77/66/94/587776694.db2.gz ADHOEDDGWUGFGF-AAEUAGOBSA-N 0 0 217.312 3.591 20 30 BHEDRN CC(C)ON=C1C[C@@H](c2ccccc2)[C@H]1C ZINC000834999329 587776598 /nfs/dbraw/zinc/77/65/98/587776598.db2.gz ADHOEDDGWUGFGF-DGCLKSJQSA-N 0 0 217.312 3.591 20 30 BHEDRN CC(C)ON=C1C[C@@H](c2ccccc2)[C@@H]1C ZINC000834999330 587776743 /nfs/dbraw/zinc/77/67/43/587776743.db2.gz ADHOEDDGWUGFGF-WCQYABFASA-N 0 0 217.312 3.591 20 30 BHEDRN CC(C)ON=C1C[C@H](c2ccccc2)[C@H]1C ZINC000834999333 587776750 /nfs/dbraw/zinc/77/67/50/587776750.db2.gz ADHOEDDGWUGFGF-YPMHNXCESA-N 0 0 217.312 3.591 20 30 BHEDRN CC(C)ON=Cc1cnc(C2CCCC2)s1 ZINC000834999366 641752591 /nfs/dbraw/zinc/75/25/91/641752591.db2.gz AXWMZPVJOXYTHY-UHFFFAOYSA-N 0 0 238.356 3.560 20 30 BHEDRN CC(C)ON=C1CC(c2cc(F)cc(F)c2)C1 ZINC000834999384 641753125 /nfs/dbraw/zinc/75/31/25/641753125.db2.gz AGCHLZGLIGSZEB-UHFFFAOYSA-N 0 0 239.265 3.623 20 30 BHEDRN CC(Cc1nc2ccccc2s1)=NOC(C)C ZINC000834999514 587776647 /nfs/dbraw/zinc/77/66/47/587776647.db2.gz CODIDNOSGOYZCE-UHFFFAOYSA-N 0 0 248.351 3.640 20 30 BHEDRN CCC(N=Nc1ccc(SC)cc1)C1CC1 ZINC000834999528 587776621 /nfs/dbraw/zinc/77/66/21/587776621.db2.gz VLTAUZKGDUOJPB-UHFFFAOYSA-N 0 0 234.368 3.996 20 30 BHEDRN C[C@@H](NN=C1CCCC12CCCC2)C(F)(F)F ZINC000834999575 587776608 /nfs/dbraw/zinc/77/66/08/587776608.db2.gz WKVUPAOJQCEOHC-SECBINFHSA-N 0 0 248.292 3.627 20 30 BHEDRN C[C@H](NN=C1CCCC12CCCC2)C(F)(F)F ZINC000834999577 587776726 /nfs/dbraw/zinc/77/67/26/587776726.db2.gz WKVUPAOJQCEOHC-VIFPVBQESA-N 0 0 248.292 3.627 20 30 BHEDRN CSc1ccc(N=NC(C)C2CCC2)cc1 ZINC000834999688 641753394 /nfs/dbraw/zinc/75/33/94/641753394.db2.gz XJWQMZZKOXQTGL-UHFFFAOYSA-N 0 0 234.368 3.996 20 30 BHEDRN CCC[C@@H](C)C(CC)=NN[C@@H](C)C(F)(F)F ZINC000834999737 645154617 /nfs/dbraw/zinc/15/46/17/645154617.db2.gz HHIRQHSEVJFGEX-BDAKNGLRSA-N 0 0 238.297 3.729 20 30 BHEDRN CCC[C@H](C)C(CC)N=N[C@H](C)C(F)(F)F ZINC000834999738 645155381 /nfs/dbraw/zinc/15/53/81/645155381.db2.gz HHIRQHSEVJFGEX-DTWKUNHWSA-N 0 0 238.297 3.729 20 30 BHEDRN CCC[C@H](C)C(CC)N=N[C@@H](C)C(F)(F)F ZINC000834999739 645154837 /nfs/dbraw/zinc/15/48/37/645154837.db2.gz HHIRQHSEVJFGEX-IUCAKERBSA-N 0 0 238.297 3.729 20 30 BHEDRN CCC[C@@H](C)C(CC)=NN[C@H](C)C(F)(F)F ZINC000834999740 587776252 /nfs/dbraw/zinc/77/62/52/587776252.db2.gz HHIRQHSEVJFGEX-RKDXNWHRSA-N 0 0 238.297 3.729 20 30 BHEDRN CC(C)ON=C1CC(C)(c2ccccc2)C1 ZINC000834999762 645156669 /nfs/dbraw/zinc/15/66/69/645156669.db2.gz FEMGUDZHHNUHHC-UHFFFAOYSA-N 0 0 217.312 3.519 20 30 BHEDRN CC(C)ON=C(Cc1ccccc1)C(F)(F)F ZINC000834999776 645156538 /nfs/dbraw/zinc/15/65/38/645156538.db2.gz FVWQINFTMKPFCC-UHFFFAOYSA-N 0 0 245.244 3.572 20 30 BHEDRN CC(C)ON=C[C@H]1CCCc2ccccc21 ZINC000834999782 645156377 /nfs/dbraw/zinc/15/63/77/645156377.db2.gz GDAMVVDKUDSNTN-CYBMUJFWSA-N 0 0 217.312 3.517 20 30 BHEDRN CC(C)ON=C[C@@H]1CCCc2ccccc21 ZINC000834999784 645155847 /nfs/dbraw/zinc/15/58/47/645155847.db2.gz GDAMVVDKUDSNTN-ZDUSSCGKSA-N 0 0 217.312 3.517 20 30 BHEDRN CC[C@H](C=NOC(C)C)c1ccccc1 ZINC000834999817 584916909 /nfs/dbraw/zinc/91/69/09/584916909.db2.gz FCINDPQBALBBLY-GFCCVEGCSA-N 0 0 205.301 3.591 20 30 BHEDRN CC[C@@H](C=NOC(C)C)c1ccccc1 ZINC000834999819 584916921 /nfs/dbraw/zinc/91/69/21/584916921.db2.gz FCINDPQBALBBLY-LBPRGKRZSA-N 0 0 205.301 3.591 20 30 BHEDRN CC(CCc1ccccc1F)=NOC(C)C ZINC000834999838 584916918 /nfs/dbraw/zinc/91/69/18/584916918.db2.gz GUZIOCMFKODFGT-UHFFFAOYSA-N 0 0 223.291 3.559 20 30 BHEDRN CC(C)ON=CCCc1c(F)cccc1Cl ZINC000834999927 587776601 /nfs/dbraw/zinc/77/66/01/587776601.db2.gz IAQDBVWMRPLTRN-UHFFFAOYSA-N 0 0 243.709 3.823 20 30 BHEDRN CC(C)ON=CC[C@@H](C)c1ccccc1 ZINC000835000174 641752758 /nfs/dbraw/zinc/75/27/58/641752758.db2.gz KRFAZNMGSCZEBY-GFCCVEGCSA-N 0 0 205.301 3.591 20 30 BHEDRN CC(C)ON=CC[C@H](C)c1ccccc1 ZINC000835000183 641752849 /nfs/dbraw/zinc/75/28/49/641752849.db2.gz KRFAZNMGSCZEBY-LBPRGKRZSA-N 0 0 205.301 3.591 20 30 BHEDRN CC(C)ON=CCCCCOc1ccccc1 ZINC000835000213 645156031 /nfs/dbraw/zinc/15/60/31/645156031.db2.gz KTSWSURFQMCYGR-UHFFFAOYSA-N 0 0 235.327 3.647 20 30 BHEDRN Cc1ccc(C2CC(=NOC(C)C)C2)cc1 ZINC000835000239 645156389 /nfs/dbraw/zinc/15/63/89/645156389.db2.gz KZMJRKRGXNQQIO-UHFFFAOYSA-N 0 0 217.312 3.653 20 30 BHEDRN CC(C)ON=C1CC(c2cccc(Cl)c2)C1 ZINC000835000278 584916943 /nfs/dbraw/zinc/91/69/43/584916943.db2.gz LROQKTVLPQJWOH-UHFFFAOYSA-N 0 0 237.730 3.998 20 30 BHEDRN CC(=NOC(C)C)c1coc2ccccc12 ZINC000835000311 584916920 /nfs/dbraw/zinc/91/69/20/584916920.db2.gz MAFZADCYZXPNQX-UHFFFAOYSA-N 0 0 217.268 3.582 20 30 BHEDRN Cc1ccccc1C(=NOC(C)C)C1CC1 ZINC000835000328 645156222 /nfs/dbraw/zinc/15/62/22/645156222.db2.gz MBRGMMFEPIHWAJ-UHFFFAOYSA-N 0 0 217.312 3.534 20 30 BHEDRN CCCCCCCC(C)N=Nc1ccncn1 ZINC000835000806 584917052 /nfs/dbraw/zinc/91/70/52/584917052.db2.gz APJLBHSYWODUNH-UHFFFAOYSA-N 0 0 234.347 3.625 20 30 BHEDRN CC(=NOC(C)C)c1sc(C(C)C)nc1C ZINC000835000822 587776954 /nfs/dbraw/zinc/77/69/54/587776954.db2.gz RXMCGFXPIHEJRI-UHFFFAOYSA-N 0 0 240.372 3.724 20 30 BHEDRN COc1ccc([C@H](C)C(C)=NOC(C)C)cc1 ZINC000835000824 587776816 /nfs/dbraw/zinc/77/68/16/587776816.db2.gz RXNMJZBZSKMASA-LLVKDONJSA-N 0 0 235.327 3.600 20 30 BHEDRN COc1ccc([C@@H](C)C(C)=NOC(C)C)cc1 ZINC000835000830 587776795 /nfs/dbraw/zinc/77/67/95/587776795.db2.gz RXNMJZBZSKMASA-NSHDSACASA-N 0 0 235.327 3.600 20 30 BHEDRN CC(C)ON=C1CCC(C(F)(F)F)CC1 ZINC000835000890 584916916 /nfs/dbraw/zinc/91/69/16/584916916.db2.gz AEVCFWQISYYLBB-UHFFFAOYSA-N 0 0 223.238 3.520 20 30 BHEDRN CSc1ccc(N=NC2CCCC2)cc1 ZINC000835001005 587776903 /nfs/dbraw/zinc/77/69/03/587776903.db2.gz CTQMRTSTEPPNTD-UHFFFAOYSA-N 0 0 220.341 3.750 20 30 BHEDRN CSc1ccccc1CC(C)=NOC(C)C ZINC000835001006 584917118 /nfs/dbraw/zinc/91/71/18/584917118.db2.gz BCBMBQYFVOEYKK-UHFFFAOYSA-N 0 0 237.368 3.752 20 30 BHEDRN Cc1cccnc1[C@@H]1CCCC(=NOC(C)C)C1 ZINC000835001062 587776854 /nfs/dbraw/zinc/77/68/54/587776854.db2.gz BKNFBHSOPOOONM-CYBMUJFWSA-N 0 0 246.354 3.829 20 30 BHEDRN Cc1cccnc1[C@H]1CCCC(=NOC(C)C)C1 ZINC000835001067 587776798 /nfs/dbraw/zinc/77/67/98/587776798.db2.gz BKNFBHSOPOOONM-ZDUSSCGKSA-N 0 0 246.354 3.829 20 30 BHEDRN Cc1ccccc1C1CC(=NOC(C)C)C1 ZINC000835001088 587776955 /nfs/dbraw/zinc/77/69/55/587776955.db2.gz UMGUGVVHNBPYEI-UHFFFAOYSA-N 0 0 217.312 3.653 20 30 BHEDRN CC(C)ON=C[C@H](c1ccccc1)C(C)C ZINC000835001147 584917086 /nfs/dbraw/zinc/91/70/86/584917086.db2.gz CKGOKTIADJCUJT-AWEZNQCLSA-N 0 0 219.328 3.837 20 30 BHEDRN CC(C)ON=C1CCC[C@@H]1c1ccccc1 ZINC000835001161 584917060 /nfs/dbraw/zinc/91/70/60/584917060.db2.gz VFSFCZDIVLMOJL-CYBMUJFWSA-N 0 0 217.312 3.735 20 30 BHEDRN CC(C)ON=C[C@@H](c1ccccc1)C(C)C ZINC000835001162 584917117 /nfs/dbraw/zinc/91/71/17/584917117.db2.gz CKGOKTIADJCUJT-CQSZACIVSA-N 0 0 219.328 3.837 20 30 BHEDRN CC(C)ON=C1CCC[C@H]1c1ccccc1 ZINC000835001165 584917172 /nfs/dbraw/zinc/91/71/72/584917172.db2.gz VFSFCZDIVLMOJL-ZDUSSCGKSA-N 0 0 217.312 3.735 20 30 BHEDRN CCCC(=NOC(C)C)c1ccsc1 ZINC000835001194 587776874 /nfs/dbraw/zinc/77/68/74/587776874.db2.gz DORYSHXTJGRPSP-UHFFFAOYSA-N 0 0 211.330 3.677 20 30 BHEDRN CC(=NOC(C)C)c1ccc2cc(O)ccc2c1 ZINC000835001223 587776824 /nfs/dbraw/zinc/77/68/24/587776824.db2.gz WKMUYEWRGYSPLO-UHFFFAOYSA-N 0 0 243.306 3.694 20 30 BHEDRN CC(C)ON=C[C@H](C)CCc1ccccc1 ZINC000835001256 584917130 /nfs/dbraw/zinc/91/71/30/584917130.db2.gz XDBKUQZQMGFFPW-CYBMUJFWSA-N 0 0 219.328 3.666 20 30 BHEDRN CC(C)ON=C[C@@H](C)CCc1ccccc1 ZINC000835001257 584917099 /nfs/dbraw/zinc/91/70/99/584917099.db2.gz XDBKUQZQMGFFPW-ZDUSSCGKSA-N 0 0 219.328 3.666 20 30 BHEDRN CCCC(N=Nc1ccncn1)C1CCCCC1 ZINC000835001313 587776808 /nfs/dbraw/zinc/77/68/08/587776808.db2.gz GKUVGHAKGBJMIE-UHFFFAOYSA-N 0 0 246.358 3.625 20 30 BHEDRN CC(C)=CCCC(C)C=CN=Nc1ccncn1 ZINC000835001335 587776907 /nfs/dbraw/zinc/77/69/07/587776907.db2.gz HMOHLTWAKLQQRU-LUPORIAKSA-N 0 0 244.342 3.567 20 30 BHEDRN CC(C)=CCCC(C)C=CN=Nc1ccncn1 ZINC000835001336 587776927 /nfs/dbraw/zinc/77/69/27/587776927.db2.gz HMOHLTWAKLQQRU-MJXLJPGESA-N 0 0 244.342 3.567 20 30 BHEDRN CCc1ccc(CCC=NOC(C)C)cc1 ZINC000835001588 587777096 /nfs/dbraw/zinc/77/70/96/587777096.db2.gz HMESSHRUXADSJV-UHFFFAOYSA-N 0 0 219.328 3.592 20 30 BHEDRN CC(C)ON=C[C@H](C)c1cccc(Cl)c1 ZINC000835001676 587777181 /nfs/dbraw/zinc/77/71/81/587777181.db2.gz ILLRYHNDBPFCHK-JTQLQIEISA-N 0 0 225.719 3.854 20 30 BHEDRN CC(C)ON=C[C@@H](C)c1cccc(Cl)c1 ZINC000835001679 587777123 /nfs/dbraw/zinc/77/71/23/587777123.db2.gz ILLRYHNDBPFCHK-SNVBAGLBSA-N 0 0 225.719 3.854 20 30 BHEDRN CC(=NOC(C)C)[C@@H](C)c1ccccc1 ZINC000835001708 587777047 /nfs/dbraw/zinc/77/70/47/587777047.db2.gz ZWRISDKJRATVSC-LLVKDONJSA-N 0 0 205.301 3.591 20 30 BHEDRN CC(=NOC(C)C)[C@H](C)c1ccccc1 ZINC000835001709 587777086 /nfs/dbraw/zinc/77/70/86/587777086.db2.gz ZWRISDKJRATVSC-NSHDSACASA-N 0 0 205.301 3.591 20 30 BHEDRN CCSCC(=NOC(C)C)c1ccccc1 ZINC000835001744 587777219 /nfs/dbraw/zinc/77/72/19/587777219.db2.gz JIWMIQRTYCBKRZ-UHFFFAOYSA-N 0 0 237.368 3.569 20 30 BHEDRN CC(=NOC(C)C)c1c(C)oc2ccccc21 ZINC000835001779 587777068 /nfs/dbraw/zinc/77/70/68/587777068.db2.gz JYJNRGOUUQRISU-UHFFFAOYSA-N 0 0 231.295 3.890 20 30 BHEDRN CC(C)ON=C[C@H](OC(C)C)c1ccccc1 ZINC000835001816 584917069 /nfs/dbraw/zinc/91/70/69/584917069.db2.gz KGIXJSOJVVBPGK-AWEZNQCLSA-N 0 0 235.327 3.564 20 30 BHEDRN CC(C)ON=C[C@@H](OC(C)C)c1ccccc1 ZINC000835001837 584917058 /nfs/dbraw/zinc/91/70/58/584917058.db2.gz KGIXJSOJVVBPGK-CQSZACIVSA-N 0 0 235.327 3.564 20 30 BHEDRN CCCCCC1=C(N=Nc2ccncn2)CCC1 ZINC000835001848 587777073 /nfs/dbraw/zinc/77/70/73/587777073.db2.gz KRMGKAXHEMJWJZ-UHFFFAOYSA-N 0 0 244.342 3.545 20 30 BHEDRN COCc1ccccc1/C=C(\C)C=NOC(C)C ZINC000835001982 587777036 /nfs/dbraw/zinc/77/70/36/587777036.db2.gz LFAAOVOOIJQFOY-TUDQHJMQSA-N 0 0 247.338 3.647 20 30 BHEDRN COCc1ccccc1/C=C(/C)C=NOC(C)C ZINC000835001991 587777207 /nfs/dbraw/zinc/77/72/07/587777207.db2.gz LFAAOVOOIJQFOY-YNVRKHLUSA-N 0 0 247.338 3.647 20 30 BHEDRN CC(=NOC(C)C)c1csc(Cl)c1 ZINC000835002088 587777177 /nfs/dbraw/zinc/77/71/77/587777177.db2.gz JHXKMAOANWRFPS-UHFFFAOYSA-N 0 0 217.721 3.551 20 30 BHEDRN CC(C)ON=C1CC(c2ccc(Cl)cc2)C1 ZINC000835002090 587777104 /nfs/dbraw/zinc/77/71/04/587777104.db2.gz JHYLFGSEBXWDHI-UHFFFAOYSA-N 0 0 237.730 3.998 20 30 BHEDRN CC(CCCC(C)C)=NN[C@@H](C)C(F)(F)F ZINC000835002143 584917286 /nfs/dbraw/zinc/91/72/86/584917286.db2.gz RJIGQSFOUYMLFA-JTQLQIEISA-N 0 0 238.297 3.729 20 30 BHEDRN CC(CCCC(C)C)=NN[C@H](C)C(F)(F)F ZINC000835002145 584917246 /nfs/dbraw/zinc/91/72/46/584917246.db2.gz RJIGQSFOUYMLFA-SNVBAGLBSA-N 0 0 238.297 3.729 20 30 BHEDRN CC(CCc1ccc(F)cc1F)=NOC(C)C ZINC000835002189 584917191 /nfs/dbraw/zinc/91/71/91/584917191.db2.gz NEDMIESSUJAMKF-UHFFFAOYSA-N 0 0 241.281 3.698 20 30 BHEDRN CC(C)ON=C1CCC(c2ccc(O)cc2)CC1 ZINC000835002202 584917258 /nfs/dbraw/zinc/91/72/58/584917258.db2.gz NJIGZVMIQAHGHG-UHFFFAOYSA-N 0 0 247.338 3.831 20 30 BHEDRN CCC(CC)N=Nc1ccc(SC)cc1 ZINC000835002348 645155766 /nfs/dbraw/zinc/15/57/66/645155766.db2.gz PFPBDBHNOGNGID-UHFFFAOYSA-N 0 0 222.357 3.996 20 30 BHEDRN CC(CCC1CCCCC1)N=Nc1ccncn1 ZINC000835002429 645157645 /nfs/dbraw/zinc/15/76/45/645157645.db2.gz QNQCORZXOBRFQL-UHFFFAOYSA-N 0 0 246.358 3.625 20 30 BHEDRN CC(=NOC(C)C)c1cc(Cl)cc(C)c1O ZINC000835002471 645157097 /nfs/dbraw/zinc/15/70/97/645157097.db2.gz OLANZYLFZFWAEK-UHFFFAOYSA-N 0 0 241.718 3.503 20 30 BHEDRN CC(C)ON=C1CCC(OC2CCCC2)CC1 ZINC000835002517 645157913 /nfs/dbraw/zinc/15/79/13/645157913.db2.gz PDCGKQMWLKCTOJ-UHFFFAOYSA-N 0 0 239.359 3.669 20 30 BHEDRN COc1ccc([C@H]2C[C@@H]2C(C)=NOC(C)C)cc1 ZINC000835002542 645157722 /nfs/dbraw/zinc/15/77/22/645157722.db2.gz MMRVLSLSBFQTQX-HUUCEWRRSA-N 0 0 247.338 3.600 20 30 BHEDRN CC(Cc1ccc(Cl)cc1)=NOC(C)C ZINC000835002545 645157820 /nfs/dbraw/zinc/15/78/20/645157820.db2.gz MMVOJWLZBDHVPF-UHFFFAOYSA-N 0 0 225.719 3.683 20 30 BHEDRN CC(=NOC(C)C)[C@@H]1C[C@H]1c1ccccc1 ZINC000835002558 645157944 /nfs/dbraw/zinc/15/79/44/645157944.db2.gz MPLNUUPXZXIDCU-KBPBESRZSA-N 0 0 217.312 3.591 20 30 BHEDRN CC(C)ON=C1CC[C@@H](c2ccccc2)C1 ZINC000835002620 645157525 /nfs/dbraw/zinc/15/75/25/645157525.db2.gz QOTWWQAIFZMVCT-CYBMUJFWSA-N 0 0 217.312 3.735 20 30 BHEDRN CC(C)ON=C1CC[C@H](c2ccccc2)C1 ZINC000835002622 645157781 /nfs/dbraw/zinc/15/77/81/645157781.db2.gz QOTWWQAIFZMVCT-ZDUSSCGKSA-N 0 0 217.312 3.735 20 30 BHEDRN CC(C)=CCCC(C)=NN[C@@H](C)C(F)(F)F ZINC000835002632 584917231 /nfs/dbraw/zinc/91/72/31/584917231.db2.gz UTHPZAOWKFEHHC-JTQLQIEISA-N 0 0 236.281 3.649 20 30 BHEDRN CC(C)=CCCC(C)=NN[C@H](C)C(F)(F)F ZINC000835002644 584917267 /nfs/dbraw/zinc/91/72/67/584917267.db2.gz UTHPZAOWKFEHHC-SNVBAGLBSA-N 0 0 236.281 3.649 20 30 BHEDRN CC(C)ON=Cc1cscc1C(F)(F)F ZINC000835002659 584917196 /nfs/dbraw/zinc/91/71/96/584917196.db2.gz RCZUUVRPEQAURL-UHFFFAOYSA-N 0 0 237.246 3.526 20 30 BHEDRN CCC[C@@H](C=NOC(C)C)c1ccccc1 ZINC000835003074 584917261 /nfs/dbraw/zinc/91/72/61/584917261.db2.gz RBZARHCMNZJVAP-AWEZNQCLSA-N 0 0 219.328 3.981 20 30 BHEDRN CCC[C@H](C=NOC(C)C)c1ccccc1 ZINC000835003088 584917317 /nfs/dbraw/zinc/91/73/17/584917317.db2.gz RBZARHCMNZJVAP-CQSZACIVSA-N 0 0 219.328 3.981 20 30 BHEDRN CC(Cc1coc2ccccc12)=NOC(C)C ZINC000835003279 584917448 /nfs/dbraw/zinc/91/74/48/584917448.db2.gz XPUHJCFHRPDMEE-UHFFFAOYSA-N 0 0 231.295 3.776 20 30 BHEDRN CCC(C)N=Nc1ccc(SC)cc1 ZINC000835003304 645157585 /nfs/dbraw/zinc/15/75/85/645157585.db2.gz WFPQOWPYFTURBP-UHFFFAOYSA-N 0 0 208.330 3.606 20 30 BHEDRN CC(=NOC(C)C)C1CCC(F)(F)CC1 ZINC000835003396 584917457 /nfs/dbraw/zinc/91/74/57/584917457.db2.gz SPUHHQKVZJMTNN-UHFFFAOYSA-N 0 0 219.275 3.613 20 30 BHEDRN CC(C)ON=Cc1ccc(C(F)(F)F)s1 ZINC000835003456 584917379 /nfs/dbraw/zinc/91/73/79/584917379.db2.gz UOFMUWHGMREVDN-UHFFFAOYSA-N 0 0 237.246 3.526 20 30 BHEDRN CC(C)ON=CC1CCC(C(F)(F)F)CC1 ZINC000835003564 645159180 /nfs/dbraw/zinc/15/91/80/645159180.db2.gz VMVOSVBQZNBVKY-UHFFFAOYSA-N 0 0 237.265 3.766 20 30 BHEDRN CC(C)=CCC[C@@H](C)CCN=Nc1ccncn1 ZINC000835003607 645159256 /nfs/dbraw/zinc/15/92/56/645159256.db2.gz ZBEHOEWXEYSLHM-CYBMUJFWSA-N 0 0 246.358 3.647 20 30 BHEDRN CC(C)=CCC[C@H](C)CCN=Nc1ccncn1 ZINC000835003611 645158623 /nfs/dbraw/zinc/15/86/23/645158623.db2.gz ZBEHOEWXEYSLHM-ZDUSSCGKSA-N 0 0 246.358 3.647 20 30 BHEDRN CC(C)ON=C1CCC[C@@H](c2cccnc2)C1 ZINC000835003661 584917497 /nfs/dbraw/zinc/91/74/97/584917497.db2.gz XCQQCWNJRCDVHY-GFCCVEGCSA-N 0 0 232.327 3.520 20 30 BHEDRN CC(C)ON=C1CCC[C@H](c2cccnc2)C1 ZINC000835003662 584917621 /nfs/dbraw/zinc/91/76/21/584917621.db2.gz XCQQCWNJRCDVHY-LBPRGKRZSA-N 0 0 232.327 3.520 20 30 BHEDRN CC(CCCC(F)(F)F)=NOC(C)C ZINC000835003714 645158031 /nfs/dbraw/zinc/15/80/31/645158031.db2.gz ZBXVDMBADKUKRI-UHFFFAOYSA-N 0 0 211.227 3.520 20 30 BHEDRN CC(C)ON=C1CCC[C@@H](C(F)(F)F)C1 ZINC000835003733 584917339 /nfs/dbraw/zinc/91/73/39/584917339.db2.gz ZQRFOXDWGXECQF-MRVPVSSYSA-N 0 0 223.238 3.520 20 30 BHEDRN CC(C)ON=C1CCC[C@H](C(F)(F)F)C1 ZINC000835003734 584917377 /nfs/dbraw/zinc/91/73/77/584917377.db2.gz ZQRFOXDWGXECQF-QMMMGPOBSA-N 0 0 223.238 3.520 20 30 BHEDRN C/C(C=NOC(C)C)=C/c1ccccc1 ZINC000835003757 645159011 /nfs/dbraw/zinc/15/90/11/645159011.db2.gz BDNFKFSPTZYKNH-PJKKHHGGSA-N 0 0 203.285 3.501 20 30 BHEDRN C/C(C=NOC(C)C)=C\c1ccccc1 ZINC000835003758 645159159 /nfs/dbraw/zinc/15/91/59/645159159.db2.gz BDNFKFSPTZYKNH-WKXVJGGTSA-N 0 0 203.285 3.501 20 30 BHEDRN CC(=NOC(C)C)c1ccc(Cl)s1 ZINC000835003776 645158930 /nfs/dbraw/zinc/15/89/30/645158930.db2.gz CANLYFHDEPITOH-UHFFFAOYSA-N 0 0 217.721 3.551 20 30 BHEDRN CC(=NOC(C)C)c1ccc2ccccc2c1O ZINC000835003883 645158868 /nfs/dbraw/zinc/15/88/68/645158868.db2.gz GEEQDPKRFUWSSW-UHFFFAOYSA-N 0 0 243.306 3.694 20 30 BHEDRN CC(CCc1cccc(F)c1)=NOC(C)C ZINC000835004150 645159057 /nfs/dbraw/zinc/15/90/57/645159057.db2.gz IBTPLUVAKSZLQE-UHFFFAOYSA-N 0 0 223.291 3.559 20 30 BHEDRN CC(CCc1ccc(F)cc1)=NOC(C)C ZINC000835004245 645158850 /nfs/dbraw/zinc/15/88/50/645158850.db2.gz JYAKCNGXJJOQSF-UHFFFAOYSA-N 0 0 223.291 3.559 20 30 BHEDRN CC(C)ON=C(CC(F)(F)F)c1ccccc1 ZINC000835004249 645159214 /nfs/dbraw/zinc/15/92/14/645159214.db2.gz KEVGCHTZSVQOSP-UHFFFAOYSA-N 0 0 245.244 3.768 20 30 BHEDRN CC(=NOC(C)C)c1cc(C)sc1C ZINC000835004269 584917561 /nfs/dbraw/zinc/91/75/61/584917561.db2.gz LBIOYJDADYFENN-UHFFFAOYSA-N 0 0 211.330 3.514 20 30 BHEDRN COc1cccc2cc(C(C)=NOC(C)C)oc21 ZINC000835004288 587777396 /nfs/dbraw/zinc/77/73/96/587777396.db2.gz LHCXECZDROXXLN-UHFFFAOYSA-N 0 0 247.294 3.590 20 30 BHEDRN CC(=NOC(C)C)c1oc2ccccc2c1C ZINC000835004432 584917633 /nfs/dbraw/zinc/91/76/33/584917633.db2.gz OALMYNYQTIOQMG-UHFFFAOYSA-N 0 0 231.295 3.890 20 30 BHEDRN C=C(C)[C@@H]1CC=C(C)C(=NOC(C)C)C1 ZINC000835004553 584917566 /nfs/dbraw/zinc/91/75/66/584917566.db2.gz ROVJAWZCEIMWNV-GFCCVEGCSA-N 0 0 207.317 3.700 20 30 BHEDRN C=C(C)[C@H]1CC=C(C)C(=NOC(C)C)C1 ZINC000835004555 584917615 /nfs/dbraw/zinc/91/76/15/584917615.db2.gz ROVJAWZCEIMWNV-LBPRGKRZSA-N 0 0 207.317 3.700 20 30 BHEDRN CSc1ccc(C(C)=NOC(C)C)cc1 ZINC000835004661 584917501 /nfs/dbraw/zinc/91/75/01/584917501.db2.gz UOVIDNHSOUFDLL-UHFFFAOYSA-N 0 0 223.341 3.558 20 30 BHEDRN CC(C)ON=Cc1c[nH]c2cc(Cl)ccc12 ZINC000835004774 587777310 /nfs/dbraw/zinc/77/73/10/587777310.db2.gz ZYDNHHNNDKEUQJ-UHFFFAOYSA-N 0 0 236.702 3.580 20 30 BHEDRN CCc1ccc(N=NC2CCCC2)cc1 ZINC000835010470 587777642 /nfs/dbraw/zinc/77/76/42/587777642.db2.gz BRWLLSHFPVBQMS-UHFFFAOYSA-N 0 0 202.301 3.591 20 30 BHEDRN CCc1ccc(N=NC(C)CC(F)(F)F)cc1 ZINC000835010514 587777514 /nfs/dbraw/zinc/77/75/14/587777514.db2.gz CYZXQXCIWSUNKE-UHFFFAOYSA-N 0 0 244.260 3.989 20 30 BHEDRN CCc1ccc(N=NC2CCS[C@H]2C)cc1 ZINC000835010542 587777621 /nfs/dbraw/zinc/77/76/21/587777621.db2.gz DKPRVFYUDBRJSB-JTQLQIEISA-N 0 0 234.368 3.542 20 30 BHEDRN CCc1ccc(N=NC2CCS[C@@H]2C)cc1 ZINC000835010543 587777622 /nfs/dbraw/zinc/77/76/22/587777622.db2.gz DKPRVFYUDBRJSB-SNVBAGLBSA-N 0 0 234.368 3.542 20 30 BHEDRN CCO[C@H]1CCCC1N=Nc1ccc(CC)cc1 ZINC000835010837 587777492 /nfs/dbraw/zinc/77/74/92/587777492.db2.gz JIERLMWEMJWHRX-HNNXBMFYSA-N 0 0 246.354 3.606 20 30 BHEDRN CCO[C@@H]1CCCC1N=Nc1ccc(CC)cc1 ZINC000835010838 587777545 /nfs/dbraw/zinc/77/75/45/587777545.db2.gz JIERLMWEMJWHRX-OAHLLOKOSA-N 0 0 246.354 3.606 20 30 BHEDRN CCC(C)N=Nc1c(C)cccc1Cl ZINC000835010857 587777774 /nfs/dbraw/zinc/77/77/74/587777774.db2.gz JVUAKZMVJRGHFN-UHFFFAOYSA-N 0 0 210.708 3.846 20 30 BHEDRN CCc1ccc(NN=C(C)c2occc2C)cc1 ZINC000835012099 587778102 /nfs/dbraw/zinc/77/81/02/587778102.db2.gz VXABZCREFBEARB-UHFFFAOYSA-N 0 0 242.322 3.987 20 30 BHEDRN CCc1ccc(N=NC2CC(C(F)F)C2)cc1 ZINC000835012145 587778057 /nfs/dbraw/zinc/77/80/57/587778057.db2.gz WLXYKUSXPTWPEM-UHFFFAOYSA-N 0 0 238.281 3.692 20 30 BHEDRN CCc1ccc(N=NC(C)[C@]2(C)CCCO2)cc1 ZINC000835012162 587778072 /nfs/dbraw/zinc/77/80/72/587778072.db2.gz XHEGCTARJBKFRI-HNNXBMFYSA-N 0 0 246.354 3.606 20 30 BHEDRN CCc1ccc(N=NC(C)[C@@]2(C)CCCO2)cc1 ZINC000835012163 587777904 /nfs/dbraw/zinc/77/79/04/587777904.db2.gz XHEGCTARJBKFRI-OAHLLOKOSA-N 0 0 246.354 3.606 20 30 BHEDRN CCc1ccc(N=NC[C@]2(C)CCCS2)cc1 ZINC000835012203 587777920 /nfs/dbraw/zinc/77/79/20/587777920.db2.gz YMBNHRMSVXSFNE-AWEZNQCLSA-N 0 0 248.395 3.932 20 30 BHEDRN CCc1ccc(N=NC[C@@]2(C)CCCS2)cc1 ZINC000835012204 587778079 /nfs/dbraw/zinc/77/80/79/587778079.db2.gz YMBNHRMSVXSFNE-CQSZACIVSA-N 0 0 248.395 3.932 20 30 BHEDRN C=CCON=C1CC(c2cccc(Cl)c2)C1 ZINC000835012925 584917831 /nfs/dbraw/zinc/91/78/31/584917831.db2.gz ANLZNIHNZJOOOG-UHFFFAOYSA-N 0 0 235.714 3.776 20 30 BHEDRN C=CCON=C[C@H](C)c1cccc(Cl)c1 ZINC000835013022 584917895 /nfs/dbraw/zinc/91/78/95/584917895.db2.gz DRESLLOKJZNJAK-JTQLQIEISA-N 0 0 223.703 3.632 20 30 BHEDRN C=CCON=C[C@@H](C)c1cccc(Cl)c1 ZINC000835013023 584917904 /nfs/dbraw/zinc/91/79/04/584917904.db2.gz DRESLLOKJZNJAK-SNVBAGLBSA-N 0 0 223.703 3.632 20 30 BHEDRN C=CCON=C1CCC[C@@H](c2ncccc2C)C1 ZINC000835013042 587778045 /nfs/dbraw/zinc/77/80/45/587778045.db2.gz FNYPSGUAVLTVCX-CYBMUJFWSA-N 0 0 244.338 3.606 20 30 BHEDRN C=CCON=C1CCC[C@H](c2ncccc2C)C1 ZINC000835013043 587777905 /nfs/dbraw/zinc/77/79/05/587777905.db2.gz FNYPSGUAVLTVCX-ZDUSSCGKSA-N 0 0 244.338 3.606 20 30 BHEDRN C=CCON=CCCc1c(F)cccc1Cl ZINC000835013053 584917776 /nfs/dbraw/zinc/91/77/76/584917776.db2.gz GABUXEXFXODYAA-UHFFFAOYSA-N 0 0 241.693 3.600 20 30 BHEDRN C=CCON=C1CC(c2ccc(Cl)cc2)C1 ZINC000835013208 584918242 /nfs/dbraw/zinc/91/82/42/584918242.db2.gz LPGSWMIBCICIOP-UHFFFAOYSA-N 0 0 235.714 3.776 20 30 BHEDRN C=CCON=C[C@H](CCC)c1ccccc1 ZINC000835013406 584918300 /nfs/dbraw/zinc/91/83/00/584918300.db2.gz RIECXLVVLBLGHO-AWEZNQCLSA-N 0 0 217.312 3.759 20 30 BHEDRN C=CCON=C[C@@H](CCC)c1ccccc1 ZINC000835013407 584918282 /nfs/dbraw/zinc/91/82/82/584918282.db2.gz RIECXLVVLBLGHO-CQSZACIVSA-N 0 0 217.312 3.759 20 30 BHEDRN C=CCON=CC1CCC(C(F)(F)F)CC1 ZINC000835013450 584918519 /nfs/dbraw/zinc/91/85/19/584918519.db2.gz SDEWKHSQGBLDTH-UHFFFAOYSA-N 0 0 235.249 3.544 20 30 BHEDRN C=CCON=C[C@H](c1ccccc1)C(C)C ZINC000835013481 584918073 /nfs/dbraw/zinc/91/80/73/584918073.db2.gz SYBRHWBJTMSSBT-AWEZNQCLSA-N 0 0 217.312 3.615 20 30 BHEDRN C=CCON=C[C@@H](c1ccccc1)C(C)C ZINC000835013482 584917995 /nfs/dbraw/zinc/91/79/95/584917995.db2.gz SYBRHWBJTMSSBT-CQSZACIVSA-N 0 0 217.312 3.615 20 30 BHEDRN C=CCON=CCc1ccc(C(C)C)cc1 ZINC000835013792 584918346 /nfs/dbraw/zinc/91/83/46/584918346.db2.gz XXIUMCXAMQAWSQ-UHFFFAOYSA-N 0 0 217.312 3.541 20 30 BHEDRN C=CCON=C(C)Cc1ccccc1SC ZINC000835013870 584918238 /nfs/dbraw/zinc/91/82/38/584918238.db2.gz ZPSKTFLQPVSJAD-UHFFFAOYSA-N 0 0 235.352 3.530 20 30 BHEDRN C=CCON=C(C)CCc1ccc(Cl)s1 ZINC000835013897 584918417 /nfs/dbraw/zinc/91/84/17/584918417.db2.gz ZVKLIKXNRPZMRN-UHFFFAOYSA-N 0 0 243.759 3.913 20 30 BHEDRN C=CCON=C(CC(F)(F)F)c1ccccc1 ZINC000835014956 587778238 /nfs/dbraw/zinc/77/82/38/587778238.db2.gz DJAUVAZGAPNQSD-UHFFFAOYSA-N 0 0 243.228 3.546 20 30 BHEDRN C=CCON=C1CC[C@@H](c2ccccc2)C1 ZINC000835015103 587778227 /nfs/dbraw/zinc/77/82/27/587778227.db2.gz PGKKAMZNBNLTSC-CYBMUJFWSA-N 0 0 215.296 3.513 20 30 BHEDRN C=CCON=C1CC[C@H](c2ccccc2)C1 ZINC000835015105 587778292 /nfs/dbraw/zinc/77/82/92/587778292.db2.gz PGKKAMZNBNLTSC-ZDUSSCGKSA-N 0 0 215.296 3.513 20 30 BHEDRN 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20 30 BHEDRN C=CCC(C)(C)C(=O)N(C)c1ccc(C)cc1F ZINC000841326868 587951410 /nfs/dbraw/zinc/95/14/10/587951410.db2.gz TXTHTNIIWCCBPF-UHFFFAOYSA-N 0 0 249.329 3.699 20 30 BHEDRN C=C[C@@](C)(CC)C(=O)N(C)c1ccc(C)cc1F ZINC000841326902 583795052 /nfs/dbraw/zinc/79/50/52/583795052.db2.gz UGHZGBJWMOXBMG-HNNXBMFYSA-N 0 0 249.329 3.699 20 30 BHEDRN C=C[C@](C)(CC)C(=O)N(C)c1ccc(C)cc1F ZINC000841326905 583795435 /nfs/dbraw/zinc/79/54/35/583795435.db2.gz UGHZGBJWMOXBMG-OAHLLOKOSA-N 0 0 249.329 3.699 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)N(C)c1ccc(C)cc1F ZINC000841328425 587951579 /nfs/dbraw/zinc/95/15/79/587951579.db2.gz XLGBPJMBKAWXDN-GFCCVEGCSA-N 0 0 249.329 3.699 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)N(C)c1ccc(C)cc1F ZINC000841328426 587951394 /nfs/dbraw/zinc/95/13/94/587951394.db2.gz XLGBPJMBKAWXDN-LBPRGKRZSA-N 0 0 249.329 3.699 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H](CC)[C@@H]1CC1(C)C ZINC000841363164 583920096 /nfs/dbraw/zinc/92/00/96/583920096.db2.gz UNZWHEMIIHXMFL-KBPBESRZSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H](CC)[C@H]1CC1(C)C ZINC000841363166 583920094 /nfs/dbraw/zinc/92/00/94/583920094.db2.gz UNZWHEMIIHXMFL-KGLIPLIRSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@H](CC)[C@@H]1CC1(C)C ZINC000841363169 583920059 /nfs/dbraw/zinc/92/00/59/583920059.db2.gz UNZWHEMIIHXMFL-UONOGXRCSA-N 0 0 249.398 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@H](CC)[C@H]1CC1(C)C ZINC000841363170 583920146 /nfs/dbraw/zinc/92/01/46/583920146.db2.gz UNZWHEMIIHXMFL-ZIAGYGMSSA-N 0 0 249.398 3.511 20 30 BHEDRN CC(NNc1ccccc1Cl)=C1CC1(F)F ZINC000841602249 587959338 /nfs/dbraw/zinc/95/93/38/587959338.db2.gz FDODDCJOOVBAAL-MRVPVSSYSA-N 0 0 244.672 3.783 20 30 BHEDRN CC(NNc1ccccc1Cl)=C1CC1(F)F ZINC000841602250 587959308 /nfs/dbraw/zinc/95/93/08/587959308.db2.gz FDODDCJOOVBAAL-QMMMGPOBSA-N 0 0 244.672 3.783 20 30 BHEDRN Cc1cccc(N=NC2CCC[C@@H]3C[C@@H]32)c1 ZINC000841602280 645220786 /nfs/dbraw/zinc/22/07/86/645220786.db2.gz FVSVJHCGGHFYIX-YPMHNXCESA-N 0 0 214.312 3.583 20 30 BHEDRN Fc1ccc(N=NC2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000841603521 645219646 /nfs/dbraw/zinc/21/96/46/645219646.db2.gz JLPNEWTXJMIMNR-SCZZXKLOSA-N 0 0 236.265 3.553 20 30 BHEDRN CCC(N=Nc1ccccc1)[C@@H]1C[C@@H]1C ZINC000841604077 645220639 /nfs/dbraw/zinc/22/06/39/645220639.db2.gz LUFCLXUZOLJIRB-CMPLNLGQSA-N 0 0 202.301 3.521 20 30 BHEDRN CCC(N=Nc1ccccc1)[C@H]1C[C@@H]1C ZINC000841604078 645219097 /nfs/dbraw/zinc/21/90/97/645219097.db2.gz LUFCLXUZOLJIRB-JQWIXIFHSA-N 0 0 202.301 3.521 20 30 BHEDRN CCC(N=Nc1ccccc1)[C@H]1C[C@H]1C ZINC000841604079 645220283 /nfs/dbraw/zinc/22/02/83/645220283.db2.gz LUFCLXUZOLJIRB-PWSUYJOCSA-N 0 0 202.301 3.521 20 30 BHEDRN CCC(N=Nc1ccccc1)[C@@H]1C[C@H]1C ZINC000841604080 645220526 /nfs/dbraw/zinc/22/05/26/645220526.db2.gz LUFCLXUZOLJIRB-ZYHUDNBSSA-N 0 0 202.301 3.521 20 30 BHEDRN CC(CCCCC#N)N=Nc1ccccc1 ZINC000841604560 645223027 /nfs/dbraw/zinc/22/30/27/645223027.db2.gz QLMUTTJUKFCXIG-UHFFFAOYSA-N 0 0 215.300 3.558 20 30 BHEDRN Cc1ccc(N=NC2CCC[C@@H]3C[C@@H]32)cc1 ZINC000841604879 645221967 /nfs/dbraw/zinc/22/19/67/645221967.db2.gz SQVZEPRTIDNCLU-YPMHNXCESA-N 0 0 214.312 3.583 20 30 BHEDRN Cc1cccc(N=NC(C)CCCCC#N)c1 ZINC000841604945 645220073 /nfs/dbraw/zinc/22/00/73/645220073.db2.gz VPJFAAMIMMYRQU-UHFFFAOYSA-N 0 0 229.327 3.867 20 30 BHEDRN CC(CCCCC#N)N=Nc1ccc(F)cc1 ZINC000841605618 645221804 /nfs/dbraw/zinc/22/18/04/645221804.db2.gz QKNVTLIDHBLFNM-UHFFFAOYSA-N 0 0 233.290 3.697 20 30 BHEDRN CCC(N=Nc1cccc(OC)c1)[C@H]1C[C@@H]1C ZINC000841616184 587960342 /nfs/dbraw/zinc/96/03/42/587960342.db2.gz FDOYHHLVZQXTQR-GWCFXTLKSA-N 0 0 232.327 3.529 20 30 BHEDRN CCC(N=Nc1cccc(OC)c1)[C@@H]1C[C@@H]1C ZINC000841616185 587960277 /nfs/dbraw/zinc/96/02/77/587960277.db2.gz FDOYHHLVZQXTQR-GXFFZTMASA-N 0 0 232.327 3.529 20 30 BHEDRN CCC(N=Nc1cccc(OC)c1)[C@H]1C[C@H]1C ZINC000841616186 587960298 /nfs/dbraw/zinc/96/02/98/587960298.db2.gz FDOYHHLVZQXTQR-MFKMUULPSA-N 0 0 232.327 3.529 20 30 BHEDRN CCC(N=Nc1cccc(OC)c1)[C@@H]1C[C@H]1C ZINC000841616189 587960031 /nfs/dbraw/zinc/96/00/31/587960031.db2.gz FDOYHHLVZQXTQR-ZWNOBZJWSA-N 0 0 232.327 3.529 20 30 BHEDRN CC(CCCCC#N)N=Nc1ccccc1F ZINC000841616253 645219115 /nfs/dbraw/zinc/21/91/15/645219115.db2.gz MPYBSYQPAQCXHZ-UHFFFAOYSA-N 0 0 233.290 3.697 20 30 BHEDRN CCC(N=Nc1ccccc1F)[C@@H]1C[C@H]1C ZINC000841616979 587960015 /nfs/dbraw/zinc/96/00/15/587960015.db2.gz TZYZZNKVUQBRRQ-NXEZZACHSA-N 0 0 220.291 3.660 20 30 BHEDRN CCC(N=Nc1ccccc1F)[C@H]1C[C@@H]1C ZINC000841616982 587960225 /nfs/dbraw/zinc/96/02/25/587960225.db2.gz TZYZZNKVUQBRRQ-UWVGGRQHSA-N 0 0 220.291 3.660 20 30 BHEDRN CCC(N=Nc1ccccc1F)[C@@H]1C[C@@H]1C ZINC000841616985 587960241 /nfs/dbraw/zinc/96/02/41/587960241.db2.gz TZYZZNKVUQBRRQ-VHSXEESVSA-N 0 0 220.291 3.660 20 30 BHEDRN CCC(N=Nc1ccccc1F)[C@H]1C[C@H]1C ZINC000841616988 587960357 /nfs/dbraw/zinc/96/03/57/587960357.db2.gz TZYZZNKVUQBRRQ-ZJUUUORDSA-N 0 0 220.291 3.660 20 30 BHEDRN COc1cccc(N=NC(C)CCCCC#N)c1 ZINC000841617389 587960204 /nfs/dbraw/zinc/96/02/04/587960204.db2.gz KZHDETOMHOQCLA-UHFFFAOYSA-N 0 0 245.326 3.567 20 30 BHEDRN CCCCNN=Cc1c(F)cc(C)cc1Cl ZINC000841618396 587960714 /nfs/dbraw/zinc/96/07/14/587960714.db2.gz DWKVXPULDZESDW-UHFFFAOYSA-N 0 0 242.725 3.511 20 30 BHEDRN CON=C1CC[C@H](c2cccc(Cl)c2)C1 ZINC000841619650 587960708 /nfs/dbraw/zinc/96/07/08/587960708.db2.gz NZNNENJQXNBNDK-JTQLQIEISA-N 0 0 223.703 3.610 20 30 BHEDRN CON=C1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000841619651 587960597 /nfs/dbraw/zinc/96/05/97/587960597.db2.gz NZNNENJQXNBNDK-SNVBAGLBSA-N 0 0 223.703 3.610 20 30 BHEDRN CC(CCCCC#N)N=Nc1cccc(F)c1 ZINC000841619978 587960602 /nfs/dbraw/zinc/96/06/02/587960602.db2.gz DUXVVTKQVKXSNH-UHFFFAOYSA-N 0 0 233.290 3.697 20 30 BHEDRN CCC(N=Nc1ncccc1Cl)[C@H]1C[C@H]1C ZINC000841620402 587960754 /nfs/dbraw/zinc/96/07/54/587960754.db2.gz WKMDIQFHZURQDW-BDAKNGLRSA-N 0 0 237.734 3.569 20 30 BHEDRN CCC(N=Nc1ncccc1Cl)[C@@H]1C[C@@H]1C ZINC000841620404 587960774 /nfs/dbraw/zinc/96/07/74/587960774.db2.gz WKMDIQFHZURQDW-DTWKUNHWSA-N 0 0 237.734 3.569 20 30 BHEDRN CCC(N=Nc1ncccc1Cl)[C@H]1C[C@@H]1C ZINC000841620405 587960720 /nfs/dbraw/zinc/96/07/20/587960720.db2.gz WKMDIQFHZURQDW-IUCAKERBSA-N 0 0 237.734 3.569 20 30 BHEDRN CCC(N=Nc1ncccc1Cl)[C@@H]1C[C@H]1C ZINC000841620406 587960748 /nfs/dbraw/zinc/96/07/48/587960748.db2.gz WKMDIQFHZURQDW-RKDXNWHRSA-N 0 0 237.734 3.569 20 30 BHEDRN CC(CCCCC#N)=NOCc1ccccc1 ZINC000841620618 587960627 /nfs/dbraw/zinc/96/06/27/587960627.db2.gz UXPGOHCMHIBZEA-UHFFFAOYSA-N 0 0 230.311 3.663 20 30 BHEDRN CC(CCCCC#N)N=N[C@@H](C)c1ccccc1 ZINC000841620678 587960719 /nfs/dbraw/zinc/96/07/19/587960719.db2.gz KRIBIMMTSYBLPV-AWEZNQCLSA-N 0 0 243.354 3.797 20 30 BHEDRN CC(CCCCC#N)N=N[C@H](C)c1ccccc1 ZINC000841620681 587960454 /nfs/dbraw/zinc/96/04/54/587960454.db2.gz KRIBIMMTSYBLPV-CQSZACIVSA-N 0 0 243.354 3.797 20 30 BHEDRN Fc1cc(F)cc(N=NC2CCC[C@@H]3C[C@@H]32)c1 ZINC000841621125 587960982 /nfs/dbraw/zinc/96/09/82/587960982.db2.gz SSUYJZNLWHNRIO-PELKAZGASA-N 0 0 236.265 3.553 20 30 BHEDRN Fc1cccc(N=NC2CCC[C@@H]3C[C@@H]32)c1F ZINC000841624093 587960862 /nfs/dbraw/zinc/96/08/62/587960862.db2.gz BJEVWFZBMMUELZ-BDAKNGLRSA-N 0 0 236.265 3.553 20 30 BHEDRN Fc1cccc(F)c1N=NC1CCC[C@@H]2C[C@@H]21 ZINC000841625171 587961111 /nfs/dbraw/zinc/96/11/11/587961111.db2.gz DYTCUFUAXMKABF-BDAKNGLRSA-N 0 0 236.265 3.553 20 30 BHEDRN CC(=NNC1CCCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000841626730 582843247 /nfs/dbraw/zinc/84/32/47/582843247.db2.gz JLSOFSVUFALTRO-QWHCGFSZSA-N 0 0 248.395 3.760 20 30 BHEDRN C[C@]1(C=NNC2CCCC2)C[C@@H]1c1ccccc1 ZINC000841627591 582844922 /nfs/dbraw/zinc/84/49/22/582844922.db2.gz VXVIAWRXVKCTFQ-HZPDHXFCSA-N 0 0 242.366 3.698 20 30 BHEDRN CCC(N=Nc1ccc(Cl)nc1)[C@@H]1C[C@H]1C ZINC000841627733 587961394 /nfs/dbraw/zinc/96/13/94/587961394.db2.gz BBBVSLQBJDAMPX-PSASIEDQSA-N 0 0 237.734 3.569 20 30 BHEDRN CCC(N=Nc1ccc(Cl)nc1)[C@H]1C[C@H]1C ZINC000841627734 587961434 /nfs/dbraw/zinc/96/14/34/587961434.db2.gz BBBVSLQBJDAMPX-SCZZXKLOSA-N 0 0 237.734 3.569 20 30 BHEDRN CCC(N=Nc1ccc(Cl)nc1)[C@@H]1C[C@@H]1C ZINC000841627735 587961333 /nfs/dbraw/zinc/96/13/33/587961333.db2.gz BBBVSLQBJDAMPX-WCBMZHEXSA-N 0 0 237.734 3.569 20 30 BHEDRN CCC(N=Nc1ccc(Cl)nc1)[C@H]1C[C@@H]1C ZINC000841627736 587961622 /nfs/dbraw/zinc/96/16/22/587961622.db2.gz BBBVSLQBJDAMPX-WPRPVWTQSA-N 0 0 237.734 3.569 20 30 BHEDRN CC(CCCCC#N)=NNCc1cccc(C)c1 ZINC000841629359 587962198 /nfs/dbraw/zinc/96/21/98/587962198.db2.gz SJJHQQYCBQJWQK-UHFFFAOYSA-N 0 0 243.354 3.545 20 30 BHEDRN CC(NNc1cc(C)ccc1F)=C1CC1(F)F ZINC000841629880 587962154 /nfs/dbraw/zinc/96/21/54/587962154.db2.gz XXJNXNGXBJBMRW-SECBINFHSA-N 0 0 242.244 3.577 20 30 BHEDRN CC(NNc1cc(C)ccc1F)=C1CC1(F)F ZINC000841629881 587961889 /nfs/dbraw/zinc/96/18/89/587961889.db2.gz XXJNXNGXBJBMRW-VIFPVBQESA-N 0 0 242.244 3.577 20 30 BHEDRN CCCC(=NOCC(F)(F)F)[C@H]1CC1(C)C ZINC000841630035 587962072 /nfs/dbraw/zinc/96/20/72/587962072.db2.gz CQFSGHXTZVQVBZ-MRVPVSSYSA-N 0 0 237.265 3.768 20 30 BHEDRN CCCC(=NOCC(F)(F)F)[C@@H]1CC1(C)C ZINC000841630036 587962028 /nfs/dbraw/zinc/96/20/28/587962028.db2.gz CQFSGHXTZVQVBZ-QMMMGPOBSA-N 0 0 237.265 3.768 20 30 BHEDRN CC(CCCCC#N)=NOCc1ccc(F)cc1 ZINC000841631697 587962336 /nfs/dbraw/zinc/96/23/36/587962336.db2.gz IZXWAKPUHKPIKG-UHFFFAOYSA-N 0 0 248.301 3.802 20 30 BHEDRN CCC(N=Nc1cc(Cl)ccn1)[C@@H]1C[C@H]1C ZINC000841632155 582861785 /nfs/dbraw/zinc/86/17/85/582861785.db2.gz BYERVHVGZOBLOF-PSASIEDQSA-N 0 0 237.734 3.569 20 30 BHEDRN CCC(N=Nc1cc(Cl)ccn1)[C@H]1C[C@H]1C ZINC000841632163 582861743 /nfs/dbraw/zinc/86/17/43/582861743.db2.gz BYERVHVGZOBLOF-SCZZXKLOSA-N 0 0 237.734 3.569 20 30 BHEDRN Clc1cccc([C@@H]2CCC(=NNC3CC3)C2)c1 ZINC000841632165 587962492 /nfs/dbraw/zinc/96/24/92/587962492.db2.gz MWXMNMAPCGKKBH-LLVKDONJSA-N 0 0 248.757 3.716 20 30 BHEDRN CCC(N=Nc1cc(Cl)ccn1)[C@@H]1C[C@@H]1C ZINC000841632166 582861917 /nfs/dbraw/zinc/86/19/17/582861917.db2.gz BYERVHVGZOBLOF-WCBMZHEXSA-N 0 0 237.734 3.569 20 30 BHEDRN Clc1cccc([C@H]2CCC(=NNC3CC3)C2)c1 ZINC000841632167 587962580 /nfs/dbraw/zinc/96/25/80/587962580.db2.gz MWXMNMAPCGKKBH-NSHDSACASA-N 0 0 248.757 3.716 20 30 BHEDRN CCC(N=Nc1cc(Cl)ccn1)[C@H]1C[C@@H]1C ZINC000841632178 582861841 /nfs/dbraw/zinc/86/18/41/582861841.db2.gz BYERVHVGZOBLOF-WPRPVWTQSA-N 0 0 237.734 3.569 20 30 BHEDRN CC(C)CON=C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000841632433 587962631 /nfs/dbraw/zinc/96/26/31/587962631.db2.gz KIRFXAKGFSYUJY-HUUCEWRRSA-N 0 0 231.339 3.839 20 30 BHEDRN CC(=NOCC(F)F)[C@@H]1C[C@H]1c1cccs1 ZINC000841633346 587962705 /nfs/dbraw/zinc/96/27/05/587962705.db2.gz VAMCTTSKHLKMGM-DTWKUNHWSA-N 0 0 245.294 3.509 20 30 BHEDRN Fc1ccc(CON=C2CCC[C@@H]3C[C@H]23)cc1 ZINC000841633445 587963093 /nfs/dbraw/zinc/96/30/93/587963093.db2.gz WMMSFMBMGTYZBM-YPMHNXCESA-N 0 0 233.286 3.518 20 30 BHEDRN CCCC(=NOCc1cccnc1)[C@H]1CC1(C)C ZINC000841633635 587962701 /nfs/dbraw/zinc/96/27/01/587962701.db2.gz QYDYECQKSXLWBF-CYBMUJFWSA-N 0 0 246.354 3.800 20 30 BHEDRN CCCC(=NOCc1cccnc1)[C@@H]1CC1(C)C ZINC000841633636 587963034 /nfs/dbraw/zinc/96/30/34/587963034.db2.gz QYDYECQKSXLWBF-ZDUSSCGKSA-N 0 0 246.354 3.800 20 30 BHEDRN CC(CCCCC#N)=NOC1CCCCC1 ZINC000841634025 587963520 /nfs/dbraw/zinc/96/35/20/587963520.db2.gz OAACGZDUUAYTAA-UHFFFAOYSA-N 0 0 222.332 3.796 20 30 BHEDRN CC(=NOCC(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000841634099 587963457 /nfs/dbraw/zinc/96/34/57/587963457.db2.gz VZOSXKWQFKGZMX-NWDGAFQWSA-N 0 0 237.368 3.900 20 30 BHEDRN COc1ccc(N=NC(C)CCCCC#N)cc1 ZINC000841634264 587963538 /nfs/dbraw/zinc/96/35/38/587963538.db2.gz XEOGTXXVXADUNE-UHFFFAOYSA-N 0 0 245.326 3.567 20 30 BHEDRN CCC(N=Nc1ccc(OC)cc1)[C@H]1C[C@@H]1C ZINC000841634535 632437568 /nfs/dbraw/zinc/43/75/68/632437568.db2.gz YUQICEVUOHZQLN-GWCFXTLKSA-N 0 0 232.327 3.529 20 30 BHEDRN CCC(N=Nc1ccc(OC)cc1)[C@@H]1C[C@@H]1C ZINC000841634536 632437981 /nfs/dbraw/zinc/43/79/81/632437981.db2.gz YUQICEVUOHZQLN-GXFFZTMASA-N 0 0 232.327 3.529 20 30 BHEDRN CCC(N=Nc1ccc(OC)cc1)[C@H]1C[C@H]1C ZINC000841634537 582865673 /nfs/dbraw/zinc/86/56/73/582865673.db2.gz YUQICEVUOHZQLN-MFKMUULPSA-N 0 0 232.327 3.529 20 30 BHEDRN CCC(N=Nc1ccc(OC)cc1)[C@@H]1C[C@H]1C ZINC000841634538 582865682 /nfs/dbraw/zinc/86/56/82/582865682.db2.gz YUQICEVUOHZQLN-ZWNOBZJWSA-N 0 0 232.327 3.529 20 30 BHEDRN CC(NNc1c(C)cccc1F)=C1CC1(F)F ZINC000841634923 587963181 /nfs/dbraw/zinc/96/31/81/587963181.db2.gz YDAUDXXLTCXYTR-SECBINFHSA-N 0 0 242.244 3.577 20 30 BHEDRN CC(NNc1c(C)cccc1F)=C1CC1(F)F ZINC000841634924 587963311 /nfs/dbraw/zinc/96/33/11/587963311.db2.gz YDAUDXXLTCXYTR-VIFPVBQESA-N 0 0 242.244 3.577 20 30 BHEDRN CCC(=NOCCC(F)(F)F)[C@H]1CC1(C)C ZINC000841634930 587963412 /nfs/dbraw/zinc/96/34/12/587963412.db2.gz YGUSUCABOSTKED-MRVPVSSYSA-N 0 0 237.265 3.768 20 30 BHEDRN CCC(=NOCCC(F)(F)F)[C@@H]1CC1(C)C ZINC000841634931 587963455 /nfs/dbraw/zinc/96/34/55/587963455.db2.gz YGUSUCABOSTKED-QMMMGPOBSA-N 0 0 237.265 3.768 20 30 BHEDRN Cc1cccc(F)c1N=NC1CCC[C@@H]2C[C@@H]21 ZINC000841634959 582866913 /nfs/dbraw/zinc/86/69/13/582866913.db2.gz ZMTVLDPKAPHJCF-MNOVXSKESA-N 0 0 232.302 3.722 20 30 BHEDRN CC(=NN[C@@H]1CCCCC1(C)C)[C@H]1CC1(F)F ZINC000841635312 587963797 /nfs/dbraw/zinc/96/37/97/587963797.db2.gz JKZORIMWPBUAAM-GHMZBOCLSA-N 0 0 244.329 3.576 20 30 BHEDRN CC(=NN[C@H]1CCCCC1(C)C)[C@H]1CC1(F)F ZINC000841635313 587963958 /nfs/dbraw/zinc/96/39/58/587963958.db2.gz JKZORIMWPBUAAM-MNOVXSKESA-N 0 0 244.329 3.576 20 30 BHEDRN CC(=NN[C@H]1CCCCC1(C)C)[C@@H]1CC1(F)F ZINC000841635314 587963675 /nfs/dbraw/zinc/96/36/75/587963675.db2.gz JKZORIMWPBUAAM-QWRGUYRKSA-N 0 0 244.329 3.576 20 30 BHEDRN CC(=NN[C@@H]1CCCCC1(C)C)[C@@H]1CC1(F)F ZINC000841635315 587963840 /nfs/dbraw/zinc/96/38/40/587963840.db2.gz JKZORIMWPBUAAM-WDEREUQCSA-N 0 0 244.329 3.576 20 30 BHEDRN CSCCON=C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000841636074 587963664 /nfs/dbraw/zinc/96/36/64/587963664.db2.gz KLDBGQAJCCBPMI-ZIAGYGMSSA-N 0 0 249.379 3.546 20 30 BHEDRN CC(CCCCC#N)=NN[C@@H]1CCCC1(C)C ZINC000841636176 587963717 /nfs/dbraw/zinc/96/37/17/587963717.db2.gz SXYRYOWOCIPUEQ-CYBMUJFWSA-N 0 0 235.375 3.615 20 30 BHEDRN CC(CCCCC#N)N=N[C@H]1CCCC1(C)C ZINC000841636177 587963860 /nfs/dbraw/zinc/96/38/60/587963860.db2.gz SXYRYOWOCIPUEQ-ZDUSSCGKSA-N 0 0 235.375 3.615 20 30 BHEDRN CCC(=NOCc1ccccc1OC)[C@H]1C[C@@H]1C ZINC000841636338 587963745 /nfs/dbraw/zinc/96/37/45/587963745.db2.gz KNPWOXRJTPHBFB-AAEUAGOBSA-N 0 0 247.338 3.634 20 30 BHEDRN CCC(=NOCc1ccccc1OC)[C@@H]1C[C@H]1C ZINC000841636339 587963948 /nfs/dbraw/zinc/96/39/48/587963948.db2.gz KNPWOXRJTPHBFB-DGCLKSJQSA-N 0 0 247.338 3.634 20 30 BHEDRN CCC(=NOCc1ccccc1OC)[C@@H]1C[C@@H]1C ZINC000841636340 587963888 /nfs/dbraw/zinc/96/38/88/587963888.db2.gz KNPWOXRJTPHBFB-WCQYABFASA-N 0 0 247.338 3.634 20 30 BHEDRN CCC(=NOCc1ccccc1OC)[C@H]1C[C@H]1C ZINC000841636341 587963709 /nfs/dbraw/zinc/96/37/09/587963709.db2.gz KNPWOXRJTPHBFB-YPMHNXCESA-N 0 0 247.338 3.634 20 30 BHEDRN CCc1cccc(C)c1N=NCCC[C@H]1CCO1 ZINC000841636546 587963731 /nfs/dbraw/zinc/96/37/31/587963731.db2.gz LYKOPVDXSUJDPA-AWEZNQCLSA-N 0 0 246.354 3.524 20 30 BHEDRN CCc1cccc(C)c1N=NCCC[C@@H]1CCO1 ZINC000841636551 587963748 /nfs/dbraw/zinc/96/37/48/587963748.db2.gz LYKOPVDXSUJDPA-CQSZACIVSA-N 0 0 246.354 3.524 20 30 BHEDRN CC[C@@H](C)NN=Cc1c(F)cc(C)cc1Cl ZINC000841637293 587964366 /nfs/dbraw/zinc/96/43/66/587964366.db2.gz HMQJSAYPSWXVIY-SECBINFHSA-N 0 0 242.725 3.510 20 30 BHEDRN CC[C@H](C)NN=Cc1c(F)cc(C)cc1Cl ZINC000841637294 587964394 /nfs/dbraw/zinc/96/43/94/587964394.db2.gz HMQJSAYPSWXVIY-VIFPVBQESA-N 0 0 242.725 3.510 20 30 BHEDRN C[C@]1(C=NOC/C=C\Cl)C[C@@H]1c1ccccc1 ZINC000841638546 582875238 /nfs/dbraw/zinc/87/52/38/582875238.db2.gz DISOGZDFMNKDDJ-FAFLHGFPSA-N 0 0 249.741 3.935 20 30 BHEDRN C[C@]1(C=NOC/C=C/Cl)C[C@@H]1c1ccccc1 ZINC000841638548 582875610 /nfs/dbraw/zinc/87/56/10/582875610.db2.gz DISOGZDFMNKDDJ-FYCABQRSSA-N 0 0 249.741 3.935 20 30 BHEDRN C=CCNN=C1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000841638825 587964779 /nfs/dbraw/zinc/96/47/79/587964779.db2.gz YPHJJGNWJPQSSG-GFCCVEGCSA-N 0 0 248.757 3.739 20 30 BHEDRN C=CCNN=C1CC[C@H](c2cccc(Cl)c2)C1 ZINC000841638826 587964757 /nfs/dbraw/zinc/96/47/57/587964757.db2.gz YPHJJGNWJPQSSG-LBPRGKRZSA-N 0 0 248.757 3.739 20 30 BHEDRN CC(=NOC1CCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000841639263 587965053 /nfs/dbraw/zinc/96/50/53/587965053.db2.gz OSDWWPWSQRXXSY-NWDGAFQWSA-N 0 0 235.352 3.797 20 30 BHEDRN C#CCON=C1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000841639530 587965113 /nfs/dbraw/zinc/96/51/13/587965113.db2.gz SETRQEOSUDOFDK-GFCCVEGCSA-N 0 0 247.725 3.613 20 30 BHEDRN C#CCON=C1CC[C@H](c2cccc(Cl)c2)C1 ZINC000841639531 587965106 /nfs/dbraw/zinc/96/51/06/587965106.db2.gz SETRQEOSUDOFDK-LBPRGKRZSA-N 0 0 247.725 3.613 20 30 BHEDRN CCOc1ccc(N=NC2CCC[C@@H]3C[C@@H]32)cc1 ZINC000841639706 587965027 /nfs/dbraw/zinc/96/50/27/587965027.db2.gz GUNGOJGXXYLFEY-RISCZKNCSA-N 0 0 244.338 3.673 20 30 BHEDRN C[C@]1(C=NOC2CCC2)C[C@@H]1c1ccccc1 ZINC000841640170 587965177 /nfs/dbraw/zinc/96/51/77/587965177.db2.gz XTAYKSUAPSLXPV-HUUCEWRRSA-N 0 0 229.323 3.735 20 30 BHEDRN C[C@]1(C=NOCC2CC2)C[C@@H]1c1ccccc1 ZINC000841640325 587964937 /nfs/dbraw/zinc/96/49/37/587964937.db2.gz IUGDSOLEJIDRAH-HUUCEWRRSA-N 0 0 229.323 3.593 20 30 BHEDRN CC(CCCCC#N)=NNCc1ccc(C)cc1 ZINC000841640949 587965708 /nfs/dbraw/zinc/96/57/08/587965708.db2.gz KOSSCFOULLXWEF-UHFFFAOYSA-N 0 0 243.354 3.545 20 30 BHEDRN CC(=NOCC1CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000841641215 587965548 /nfs/dbraw/zinc/96/55/48/587965548.db2.gz SDLABXUWJYZVAV-NWDGAFQWSA-N 0 0 235.352 3.654 20 30 BHEDRN C[C@]1(C=NOCCC2CC2)C[C@@H]1c1ccccc1 ZINC000841641326 582916344 /nfs/dbraw/zinc/91/63/44/582916344.db2.gz UMFBELGOXWJUDM-HZPDHXFCSA-N 0 0 243.350 3.983 20 30 BHEDRN CC(C)ON=C[C@@]1(C)C[C@@H]1c1ccccc1 ZINC000841641516 587965672 /nfs/dbraw/zinc/96/56/72/587965672.db2.gz RRZREUZAYZPYDY-ZIAGYGMSSA-N 0 0 217.312 3.591 20 30 BHEDRN CSc1ccc(N=NC2CCC[C@@H]3C[C@@H]32)cc1 ZINC000841641766 587965710 /nfs/dbraw/zinc/96/57/10/587965710.db2.gz VLRFBZIXQHZASL-MFKMUULPSA-N 0 0 246.379 3.996 20 30 BHEDRN CC(CCCCC#N)=NNCC1(C)CCCC1 ZINC000841641846 587965687 /nfs/dbraw/zinc/96/56/87/587965687.db2.gz ASRAJZMTLXVASV-UHFFFAOYSA-N 0 0 235.375 3.616 20 30 BHEDRN CC(=NOC(C)C)[C@@H]1C[C@H]1c1cccs1 ZINC000841641999 587965655 /nfs/dbraw/zinc/96/56/55/587965655.db2.gz ZNZSGIPTJBSBES-WDEREUQCSA-N 0 0 223.341 3.653 20 30 BHEDRN CCC(N=Nc1cccc(Cl)n1)[C@H]1C[C@H]1C ZINC000841642103 587966091 /nfs/dbraw/zinc/96/60/91/587966091.db2.gz GLVDCURBGWXXBQ-BDAKNGLRSA-N 0 0 237.734 3.569 20 30 BHEDRN CCC(N=Nc1cccc(Cl)n1)[C@@H]1C[C@@H]1C ZINC000841642104 587966121 /nfs/dbraw/zinc/96/61/21/587966121.db2.gz GLVDCURBGWXXBQ-DTWKUNHWSA-N 0 0 237.734 3.569 20 30 BHEDRN CCC(N=Nc1cccc(Cl)n1)[C@H]1C[C@@H]1C ZINC000841642105 587966151 /nfs/dbraw/zinc/96/61/51/587966151.db2.gz GLVDCURBGWXXBQ-IUCAKERBSA-N 0 0 237.734 3.569 20 30 BHEDRN CCC(N=Nc1cccc(Cl)n1)[C@@H]1C[C@H]1C ZINC000841642106 582921699 /nfs/dbraw/zinc/92/16/99/582921699.db2.gz GLVDCURBGWXXBQ-RKDXNWHRSA-N 0 0 237.734 3.569 20 30 BHEDRN CC[C@@H](C)CON=C(C)CCCCC#N ZINC000841642390 587966040 /nfs/dbraw/zinc/96/60/40/587966040.db2.gz PEXZAVDOQYXUJX-LLVKDONJSA-N 0 0 210.321 3.509 20 30 BHEDRN CC[C@H](C)CON=C(C)CCCCC#N ZINC000841642391 587966130 /nfs/dbraw/zinc/96/61/30/587966130.db2.gz PEXZAVDOQYXUJX-NSHDSACASA-N 0 0 210.321 3.509 20 30 BHEDRN Cc1cc(C=NNc2ccc(C(C)C)cc2)no1 ZINC000841643709 587965991 /nfs/dbraw/zinc/96/59/91/587965991.db2.gz PAGNFRVXLLRFEC-UHFFFAOYSA-N 0 0 243.310 3.552 20 30 BHEDRN Clc1cccc(N=NCC2CC2)c1Cl ZINC000841646178 587966350 /nfs/dbraw/zinc/96/63/50/587966350.db2.gz XLCZIMDURDTTBW-UHFFFAOYSA-N 0 0 229.110 3.801 20 30 BHEDRN CC(C)C(C)(C)SCc1nc(C#N)cs1 ZINC000841671368 587971484 /nfs/dbraw/zinc/97/14/84/587971484.db2.gz FGJMBMYXCIAORH-UHFFFAOYSA-N 0 0 240.397 3.683 20 30 BHEDRN CCC(CC)(CC)SCc1ncc(C#N)cn1 ZINC000841672093 587971307 /nfs/dbraw/zinc/97/13/07/587971307.db2.gz QGZUCYJYFIVLGL-UHFFFAOYSA-N 0 0 249.383 3.550 20 30 BHEDRN C#Cc1cccc(NCC2CCC(F)(F)CC2)c1 ZINC000841692894 645225626 /nfs/dbraw/zinc/22/56/26/645225626.db2.gz LKQMAKOIRFVABP-UHFFFAOYSA-N 0 0 249.304 3.905 20 30 BHEDRN C=C(C)CNc1ccc(C)cc1SC ZINC000841698350 645225096 /nfs/dbraw/zinc/22/50/96/645225096.db2.gz DFHOWSLEHOCDQT-UHFFFAOYSA-N 0 0 207.342 3.705 20 30 BHEDRN C=CCCCNc1ccc(OC)c(SC)c1 ZINC000841699309 645226823 /nfs/dbraw/zinc/22/68/23/645226823.db2.gz OQCBOSGYVUQEHT-UHFFFAOYSA-N 0 0 237.368 3.795 20 30 BHEDRN C=C(C)CCNc1ccc(OC)c(SC)c1 ZINC000841701532 587972733 /nfs/dbraw/zinc/97/27/33/587972733.db2.gz SZARDYAPSDUZBK-UHFFFAOYSA-N 0 0 237.368 3.795 20 30 BHEDRN C#CCCCNc1ccc(C)cc1SC ZINC000841701669 587972736 /nfs/dbraw/zinc/97/27/36/587972736.db2.gz VLSNNPIVZQRHLE-UHFFFAOYSA-N 0 0 219.353 3.542 20 30 BHEDRN C=COc1ccc(NCCCC(C)(C)C#N)cc1 ZINC000841701932 587972606 /nfs/dbraw/zinc/97/26/06/587972606.db2.gz VFMPZTJPQBTVQX-UHFFFAOYSA-N 0 0 244.338 3.951 20 30 BHEDRN C=CC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841749994 587973886 /nfs/dbraw/zinc/97/38/86/587973886.db2.gz RYURQZRGYNRGKQ-NXEZZACHSA-N 0 0 239.746 3.661 20 30 BHEDRN C=CC[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841749995 587973485 /nfs/dbraw/zinc/97/34/85/587973485.db2.gz RYURQZRGYNRGKQ-UWVGGRQHSA-N 0 0 239.746 3.661 20 30 BHEDRN C=CC[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841749996 587973712 /nfs/dbraw/zinc/97/37/12/587973712.db2.gz RYURQZRGYNRGKQ-VHSXEESVSA-N 0 0 239.746 3.661 20 30 BHEDRN C=CC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841749997 587973900 /nfs/dbraw/zinc/97/39/00/587973900.db2.gz RYURQZRGYNRGKQ-ZJUUUORDSA-N 0 0 239.746 3.661 20 30 BHEDRN C=CCCC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841752917 587973617 /nfs/dbraw/zinc/97/36/17/587973617.db2.gz REPCSQRLBRHCLI-JTQLQIEISA-N 0 0 239.746 3.662 20 30 BHEDRN C=CCCC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841752918 587973821 /nfs/dbraw/zinc/97/38/21/587973821.db2.gz REPCSQRLBRHCLI-SNVBAGLBSA-N 0 0 239.746 3.662 20 30 BHEDRN C=C(C)CC[NH2+][C@@H](C)c1ccc(Cl)cc1[O-] ZINC000841753321 587974466 /nfs/dbraw/zinc/97/44/66/587974466.db2.gz GUBGIILLNANFEO-JTQLQIEISA-N 0 0 239.746 3.662 20 30 BHEDRN C=C(C)CC[NH2+][C@H](C)c1ccc(Cl)cc1[O-] ZINC000841753323 587974170 /nfs/dbraw/zinc/97/41/70/587974170.db2.gz GUBGIILLNANFEO-SNVBAGLBSA-N 0 0 239.746 3.662 20 30 BHEDRN FC1(F)CC[C@@H](CON=Cc2cccs2)C1 ZINC000842014772 587988850 /nfs/dbraw/zinc/98/88/50/587988850.db2.gz DWXSWOJYQZMBDX-SECBINFHSA-N 0 0 245.294 3.534 20 30 BHEDRN FC1(F)CC[C@H](CON=Cc2cccs2)C1 ZINC000842014774 587988923 /nfs/dbraw/zinc/98/89/23/587988923.db2.gz DWXSWOJYQZMBDX-VIFPVBQESA-N 0 0 245.294 3.534 20 30 BHEDRN C=CCCCCOc1ccc(NC(=O)OC)cc1 ZINC000842022622 587989687 /nfs/dbraw/zinc/98/96/87/587989687.db2.gz ZHEUAMKTGGJUKI-UHFFFAOYSA-N 0 0 249.310 3.600 20 30 BHEDRN Cc1cccc(Cl)c1CON=C1CCC1 ZINC000842030642 587990918 /nfs/dbraw/zinc/99/09/18/587990918.db2.gz JWJAESLNMHPGHX-UHFFFAOYSA-N 0 0 223.703 3.705 20 30 BHEDRN Cc1ccc2ncc(CON=C3CCC3)cc2c1 ZINC000842030877 587991241 /nfs/dbraw/zinc/99/12/41/587991241.db2.gz LQKOGUMIUUFHMS-UHFFFAOYSA-N 0 0 240.306 3.600 20 30 BHEDRN C(=C/c1ccccc1)\CCON=C1CCC1 ZINC000842031089 587991222 /nfs/dbraw/zinc/99/12/22/587991222.db2.gz NJFDGAXQCXHEBG-RUDMXATFSA-N 0 0 215.296 3.646 20 30 BHEDRN C(=C\c1ccccc1)\CCON=C1CCC1 ZINC000842031090 584007202 /nfs/dbraw/zinc/00/72/02/584007202.db2.gz NJFDGAXQCXHEBG-WTKPLQERSA-N 0 0 215.296 3.646 20 30 BHEDRN Cc1nc(C(C)C)ccc1CON=C1CCC1 ZINC000842031195 587991227 /nfs/dbraw/zinc/99/12/27/587991227.db2.gz SBZMDEFDIPXLQE-UHFFFAOYSA-N 0 0 232.327 3.570 20 30 BHEDRN CCc1nc(C(C)C)ccc1CON=C1CCC1 ZINC000842031272 587991125 /nfs/dbraw/zinc/99/11/25/587991125.db2.gz VXGBKXFZNOKOOJ-UHFFFAOYSA-N 0 0 246.354 3.824 20 30 BHEDRN C=CCCCCOc1cccc(NC(=O)OC)c1 ZINC000842032169 587991271 /nfs/dbraw/zinc/99/12/71/587991271.db2.gz YLSSBMGSMWIYGI-UHFFFAOYSA-N 0 0 249.310 3.600 20 30 BHEDRN C=CCCCCOc1ccccc1NC(=O)OC ZINC000842033821 587991613 /nfs/dbraw/zinc/99/16/13/587991613.db2.gz 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235.371 3.524 20 30 BHEDRN C=CCCCC(=O)N1CCCC[C@@H]1C1CCC1 ZINC000843743010 645308966 /nfs/dbraw/zinc/30/89/66/645308966.db2.gz JKIXFZYSPXPTPI-CQSZACIVSA-N 0 0 235.371 3.524 20 30 BHEDRN CCCCCCCC(=O)Nc1n[nH]cc1C1CC1 ZINC000843968204 588152677 /nfs/dbraw/zinc/15/26/77/588152677.db2.gz UMMRXZHSBRAOQY-UHFFFAOYSA-N 0 0 249.358 3.586 20 30 BHEDRN C=CCCCC(=O)N1CC2(CC=CC2)[C@@H]1C(C)C ZINC000844099411 588167306 /nfs/dbraw/zinc/16/73/06/588167306.db2.gz OMIXCACLDPAQPV-HNNXBMFYSA-N 0 0 247.382 3.546 20 30 BHEDRN C=CCCCC(=O)N1CC2(CC=CC2)[C@H]1C(C)C ZINC000844099413 588167242 /nfs/dbraw/zinc/16/72/42/588167242.db2.gz OMIXCACLDPAQPV-OAHLLOKOSA-N 0 0 247.382 3.546 20 30 BHEDRN CC(C)[C@H](C#N)Oc1ccc(-c2ccco2)cc1 ZINC000844229873 588175068 /nfs/dbraw/zinc/17/50/68/588175068.db2.gz NSPUWAPQIMHIMO-HNNXBMFYSA-N 0 0 241.290 3.874 20 30 BHEDRN CC(C)[C@@H](C#N)Oc1ccc(-c2ccco2)cc1 ZINC000844229874 588175111 /nfs/dbraw/zinc/17/51/11/588175111.db2.gz NSPUWAPQIMHIMO-OAHLLOKOSA-N 0 0 241.290 3.874 20 30 BHEDRN Cc1cc(-c2cccc(C3(C#N)CC3)c2)ccn1 ZINC000844231455 588175262 /nfs/dbraw/zinc/17/52/62/588175262.db2.gz AUPKPPVYPRFZTP-UHFFFAOYSA-N 0 0 234.302 3.612 20 30 BHEDRN CC(C)(C#N)Cc1cccc(-c2ccccn2)c1 ZINC000844231597 588175039 /nfs/dbraw/zinc/17/50/39/588175039.db2.gz CGQBEODEFRONPP-UHFFFAOYSA-N 0 0 236.318 3.841 20 30 BHEDRN CC[C@H](C#N)c1ccc(-c2c(C)n[nH]c2C)cc1 ZINC000844231859 588175455 /nfs/dbraw/zinc/17/54/55/588175455.db2.gz GFZLMQXSZGVYMJ-GFCCVEGCSA-N 0 0 239.322 3.711 20 30 BHEDRN CC[C@@H](C#N)c1ccc(-c2c(C)n[nH]c2C)cc1 ZINC000844231860 588175352 /nfs/dbraw/zinc/17/53/52/588175352.db2.gz GFZLMQXSZGVYMJ-LBPRGKRZSA-N 0 0 239.322 3.711 20 30 BHEDRN N#CC1(c2ccc(-c3ccccn3)s2)CCC1 ZINC000844231884 588175511 /nfs/dbraw/zinc/17/55/11/588175511.db2.gz HMFCHDNBNBOQHA-UHFFFAOYSA-N 0 0 240.331 3.755 20 30 BHEDRN Cc1cc(-c2ccccc2C2(C#N)CC2)ccn1 ZINC000844232328 588175579 /nfs/dbraw/zinc/17/55/79/588175579.db2.gz MYAOPTSSJZIMKB-UHFFFAOYSA-N 0 0 234.302 3.612 20 30 BHEDRN Cc1cc(-c2ccc(C(C)(C)C#N)cc2)ccn1 ZINC000844232381 588175501 /nfs/dbraw/zinc/17/55/01/588175501.db2.gz OQHNGIYRDLMIRF-UHFFFAOYSA-N 0 0 236.318 3.858 20 30 BHEDRN CC(C)[C@H](C#N)Oc1ccc(-c2ccoc2)cc1 ZINC000844233056 588175759 /nfs/dbraw/zinc/17/57/59/588175759.db2.gz YSEKYLJEKWUSGB-HNNXBMFYSA-N 0 0 241.290 3.874 20 30 BHEDRN CC(C)[C@@H](C#N)Oc1ccc(-c2ccoc2)cc1 ZINC000844233057 588176021 /nfs/dbraw/zinc/17/60/21/588176021.db2.gz YSEKYLJEKWUSGB-OAHLLOKOSA-N 0 0 241.290 3.874 20 30 BHEDRN Cc1ccc(-c2cccc(C3(C#N)CC3)c2)cn1 ZINC000844233578 588175795 /nfs/dbraw/zinc/17/57/95/588175795.db2.gz QVZWOFBTYRSEKJ-UHFFFAOYSA-N 0 0 234.302 3.612 20 30 BHEDRN Cc1ccc(-c2ccccc2C2(C#N)CC2)cn1 ZINC000844233872 588175919 /nfs/dbraw/zinc/17/59/19/588175919.db2.gz VJVNHTDISBHJDN-UHFFFAOYSA-N 0 0 234.302 3.612 20 30 BHEDRN Cc1ccc(-c2ccc(C(C)(C)C#N)cc2)cn1 ZINC000844234248 588175815 /nfs/dbraw/zinc/17/58/15/588175815.db2.gz ZQPFULBXEQASTE-UHFFFAOYSA-N 0 0 236.318 3.858 20 30 BHEDRN C=C(C)c1ccc([C@@H](O)C2CCC2)cc1 ZINC000844234898 588176289 /nfs/dbraw/zinc/17/62/89/588176289.db2.gz QECGMIQJICCMMD-AWEZNQCLSA-N 0 0 202.297 3.553 20 30 BHEDRN C=C(C)c1ccc([C@H](O)C2CCC2)cc1 ZINC000844234899 588176286 /nfs/dbraw/zinc/17/62/86/588176286.db2.gz QECGMIQJICCMMD-CQSZACIVSA-N 0 0 202.297 3.553 20 30 BHEDRN C=C(C)c1ccc(O[C@@H](C#N)C(C)C)cc1 ZINC000844234944 588176121 /nfs/dbraw/zinc/17/61/21/588176121.db2.gz RBUJQCPICAFJRL-AWEZNQCLSA-N 0 0 215.296 3.647 20 30 BHEDRN C=C(C)c1ccc(O[C@H](C#N)C(C)C)cc1 ZINC000844234945 588176349 /nfs/dbraw/zinc/17/63/49/588176349.db2.gz RBUJQCPICAFJRL-CQSZACIVSA-N 0 0 215.296 3.647 20 30 BHEDRN C=C(C)c1ccc([C@H](O)CC(F)(F)F)cc1 ZINC000844235405 588176276 /nfs/dbraw/zinc/17/62/76/588176276.db2.gz AWRJFDSAWBUFAN-LLVKDONJSA-N 0 0 230.229 3.706 20 30 BHEDRN C=C(C)c1ccc([C@@H](O)CC(F)(F)F)cc1 ZINC000844235409 588176217 /nfs/dbraw/zinc/17/62/17/588176217.db2.gz AWRJFDSAWBUFAN-NSHDSACASA-N 0 0 230.229 3.706 20 30 BHEDRN C=CC[C@@H]1CCC(N=Nc2ccccc2)C1 ZINC000844562233 588202920 /nfs/dbraw/zinc/20/29/20/588202920.db2.gz DLJSJNLMGKAICX-GFCCVEGCSA-N 0 0 214.312 3.831 20 30 BHEDRN C=CC[C@H]1CCC(N=Nc2ccccc2)C1 ZINC000844562234 588202675 /nfs/dbraw/zinc/20/26/75/588202675.db2.gz DLJSJNLMGKAICX-LBPRGKRZSA-N 0 0 214.312 3.831 20 30 BHEDRN COCC(CC(C)(C)C)N=Nc1ccccc1 ZINC000844563958 582595487 /nfs/dbraw/zinc/59/54/87/582595487.db2.gz UYPWRJTUGKZRHY-UHFFFAOYSA-N 0 0 234.343 3.537 20 30 BHEDRN C=CC[C@@H]1CCC(N=Nc2cccc(OC)c2)C1 ZINC000844572845 588203537 /nfs/dbraw/zinc/20/35/37/588203537.db2.gz QWEYKKWGIFWHBH-GFCCVEGCSA-N 0 0 244.338 3.839 20 30 BHEDRN C=CC[C@H]1CCC(N=Nc2cccc(OC)c2)C1 ZINC000844572846 588203663 /nfs/dbraw/zinc/20/36/63/588203663.db2.gz QWEYKKWGIFWHBH-LBPRGKRZSA-N 0 0 244.338 3.839 20 30 BHEDRN C=CC[C@@H]1CCC(N=Nc2cccc(C#N)c2)C1 ZINC000844573948 588204088 /nfs/dbraw/zinc/20/40/88/588204088.db2.gz UASDLRIRACWGOL-GFCCVEGCSA-N 0 0 239.322 3.702 20 30 BHEDRN C=CC[C@H]1CCC(N=Nc2cccc(C#N)c2)C1 ZINC000844573949 588204148 /nfs/dbraw/zinc/20/41/48/588204148.db2.gz UASDLRIRACWGOL-LBPRGKRZSA-N 0 0 239.322 3.702 20 30 BHEDRN CCC1(CC)CCC(N=Nc2ncccn2)CC1 ZINC000844574638 588203888 /nfs/dbraw/zinc/20/38/88/588203888.db2.gz NVJRZQRVJPOKET-UHFFFAOYSA-N 0 0 246.358 3.625 20 30 BHEDRN CCC1(CC)CCC(N=Nc2cnccn2)CC1 ZINC000844574761 588204212 /nfs/dbraw/zinc/20/42/12/588204212.db2.gz RORVVWSQUHZCIZ-UHFFFAOYSA-N 0 0 246.358 3.625 20 30 BHEDRN C=CC[C@@H]1CCC(N=Nc2ccc(C#N)cc2)C1 ZINC000844575015 588204186 /nfs/dbraw/zinc/20/41/86/588204186.db2.gz BTTCAHXRSBMVQM-GFCCVEGCSA-N 0 0 239.322 3.702 20 30 BHEDRN C=CC[C@H]1CCC(N=Nc2ccc(C#N)cc2)C1 ZINC000844575016 588204027 /nfs/dbraw/zinc/20/40/27/588204027.db2.gz BTTCAHXRSBMVQM-LBPRGKRZSA-N 0 0 239.322 3.702 20 30 BHEDRN C=CC[C@H]1CCC(N=Nc2ncccc2Cl)C1 ZINC000844576150 588203923 /nfs/dbraw/zinc/20/39/23/588203923.db2.gz BHCBLDIIJHOHPB-JTQLQIEISA-N 0 0 249.745 3.879 20 30 BHEDRN C=CC[C@@H]1CCC(N=Nc2ncccc2Cl)C1 ZINC000844576153 588204122 /nfs/dbraw/zinc/20/41/22/588204122.db2.gz BHCBLDIIJHOHPB-SNVBAGLBSA-N 0 0 249.745 3.879 20 30 BHEDRN C=CC[C@@H]1CCC(N=Nc2ccc(C)cn2)C1 ZINC000844580464 588204485 /nfs/dbraw/zinc/20/44/85/588204485.db2.gz KCGFCGLELKHPEX-GFCCVEGCSA-N 0 0 229.327 3.534 20 30 BHEDRN C=CC[C@H]1CCC(N=Nc2ccc(C)cn2)C1 ZINC000844580465 643441602 /nfs/dbraw/zinc/44/16/02/643441602.db2.gz KCGFCGLELKHPEX-LBPRGKRZSA-N 0 0 229.327 3.534 20 30 BHEDRN C[C@H]1CCCCCC1N=Nc1ccc(F)cn1 ZINC000844582435 588204832 /nfs/dbraw/zinc/20/48/32/588204832.db2.gz IVRCXDCXDHLWMV-JTQLQIEISA-N 0 0 235.306 3.589 20 30 BHEDRN C[C@@H]1CCCCCC1N=Nc1ccc(F)cn1 ZINC000844582439 588204742 /nfs/dbraw/zinc/20/47/42/588204742.db2.gz IVRCXDCXDHLWMV-SNVBAGLBSA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@]1(C)CCCC1N=Nc1ccc(F)cn1 ZINC000844582844 588204697 /nfs/dbraw/zinc/20/46/97/588204697.db2.gz QQTBLQYLORWXMB-CYBMUJFWSA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@@]1(C)CCCC1N=Nc1ccc(F)cn1 ZINC000844582845 643444098 /nfs/dbraw/zinc/44/40/98/643444098.db2.gz QQTBLQYLORWXMB-ZDUSSCGKSA-N 0 0 235.306 3.589 20 30 BHEDRN Cc1ccc(C=NNC2CCCC2)c(Cl)c1 ZINC000844583113 588204757 /nfs/dbraw/zinc/20/47/57/588204757.db2.gz RUGUDRLNSZILCY-UHFFFAOYSA-N 0 0 236.746 3.515 20 30 BHEDRN CC[C@@]1(C)CCCC1N=Nc1ccc(C)cn1 ZINC000844583457 588204792 /nfs/dbraw/zinc/20/47/92/588204792.db2.gz XWHXFZYVAOTGAF-AWEZNQCLSA-N 0 0 231.343 3.758 20 30 BHEDRN CC[C@]1(C)CCCC1N=Nc1ccc(C)cn1 ZINC000844583458 588204779 /nfs/dbraw/zinc/20/47/79/588204779.db2.gz XWHXFZYVAOTGAF-CQSZACIVSA-N 0 0 231.343 3.758 20 30 BHEDRN Cc1ccc(N=NC2CCCCC[C@H]2C)nc1 ZINC000844583464 588204720 /nfs/dbraw/zinc/20/47/20/588204720.db2.gz XZJKMCFUPPIOOT-GFCCVEGCSA-N 0 0 231.343 3.758 20 30 BHEDRN Cc1ccc(N=NC2CCCCC[C@@H]2C)nc1 ZINC000844583465 588204704 /nfs/dbraw/zinc/20/47/04/588204704.db2.gz XZJKMCFUPPIOOT-LBPRGKRZSA-N 0 0 231.343 3.758 20 30 BHEDRN CCC1(CC)CCC(N=Nc2cccnn2)CC1 ZINC000844583986 588204678 /nfs/dbraw/zinc/20/46/78/588204678.db2.gz KDHWYNLINAASBQ-UHFFFAOYSA-N 0 0 246.358 3.625 20 30 BHEDRN CCC1(CC)CCC(=NNCC(F)F)CC1 ZINC000844585210 588205103 /nfs/dbraw/zinc/20/51/03/588205103.db2.gz LVIYZEWRYCAEAN-UHFFFAOYSA-N 0 0 232.318 3.578 20 30 BHEDRN C=CC[C@H]1CCC(N=Nc2ccc(Cl)nc2)C1 ZINC000844585445 588205094 /nfs/dbraw/zinc/20/50/94/588205094.db2.gz OXHIPIDPDYZTIH-JTQLQIEISA-N 0 0 249.745 3.879 20 30 BHEDRN C=CC[C@@H]1CCC(N=Nc2ccc(Cl)nc2)C1 ZINC000844585446 588205197 /nfs/dbraw/zinc/20/51/97/588205197.db2.gz OXHIPIDPDYZTIH-SNVBAGLBSA-N 0 0 249.745 3.879 20 30 BHEDRN CC[C@]1(C)CCCC1=NOCC(F)(F)F ZINC000844587052 588205188 /nfs/dbraw/zinc/20/51/88/588205188.db2.gz WWWVYBWAGIKIGG-SECBINFHSA-N 0 0 223.238 3.522 20 30 BHEDRN CC[C@@]1(C)CCCC1=NOCC(F)(F)F ZINC000844587053 588205180 /nfs/dbraw/zinc/20/51/80/588205180.db2.gz WWWVYBWAGIKIGG-VIFPVBQESA-N 0 0 223.238 3.522 20 30 BHEDRN C[C@@H]1CCCCCC1=NOCC(F)(F)F ZINC000844587091 588205223 /nfs/dbraw/zinc/20/52/23/588205223.db2.gz XVVHISNAWAHIOF-MRVPVSSYSA-N 0 0 223.238 3.522 20 30 BHEDRN C[C@H]1CCCCCC1=NOCC(F)(F)F ZINC000844587092 588205183 /nfs/dbraw/zinc/20/51/83/588205183.db2.gz XVVHISNAWAHIOF-QMMMGPOBSA-N 0 0 223.238 3.522 20 30 BHEDRN C=CC[C@@H]1CCC(N=Nc2cc(C)ccn2)C1 ZINC000844587851 588205585 /nfs/dbraw/zinc/20/55/85/588205585.db2.gz VSIAHRQODCSDNX-GFCCVEGCSA-N 0 0 229.327 3.534 20 30 BHEDRN C=CC[C@H]1CCC(N=Nc2cc(C)ccn2)C1 ZINC000844587852 588205651 /nfs/dbraw/zinc/20/56/51/588205651.db2.gz VSIAHRQODCSDNX-LBPRGKRZSA-N 0 0 229.327 3.534 20 30 BHEDRN Cc1ccnc(N=NC2CCCCC[C@H]2C)c1 ZINC000844588013 588205591 /nfs/dbraw/zinc/20/55/91/588205591.db2.gz XSXBBKQZIMITHW-GFCCVEGCSA-N 0 0 231.343 3.758 20 30 BHEDRN Cc1ccnc(N=NC2CCCCC[C@@H]2C)c1 ZINC000844588014 588205550 /nfs/dbraw/zinc/20/55/50/588205550.db2.gz XSXBBKQZIMITHW-LBPRGKRZSA-N 0 0 231.343 3.758 20 30 BHEDRN CC[C@@]1(C)CCCC1N=Nc1cc(C)ccn1 ZINC000844588054 588205440 /nfs/dbraw/zinc/20/54/40/588205440.db2.gz ZHMJQWCSXULWEE-AWEZNQCLSA-N 0 0 231.343 3.758 20 30 BHEDRN CC[C@]1(C)CCCC1N=Nc1cc(C)ccn1 ZINC000844588055 588205574 /nfs/dbraw/zinc/20/55/74/588205574.db2.gz ZHMJQWCSXULWEE-CQSZACIVSA-N 0 0 231.343 3.758 20 30 BHEDRN C[C@@H]1CCCCCC1=NOCc1cccnc1 ZINC000844588749 588205709 /nfs/dbraw/zinc/20/57/09/588205709.db2.gz HDWLMWNGUVOQGL-GFCCVEGCSA-N 0 0 232.327 3.554 20 30 BHEDRN C[C@H]1CCCCCC1=NOCc1cccnc1 ZINC000844588750 588205608 /nfs/dbraw/zinc/20/56/08/588205608.db2.gz HDWLMWNGUVOQGL-LBPRGKRZSA-N 0 0 232.327 3.554 20 30 BHEDRN C[C@H]1CCCCCC1N=Nc1ccnc(F)c1 ZINC000844589066 588205668 /nfs/dbraw/zinc/20/56/68/588205668.db2.gz CVNKPSRLVQCJNE-JTQLQIEISA-N 0 0 235.306 3.589 20 30 BHEDRN C[C@@H]1CCCCCC1N=Nc1ccnc(F)c1 ZINC000844589067 588205566 /nfs/dbraw/zinc/20/55/66/588205566.db2.gz CVNKPSRLVQCJNE-SNVBAGLBSA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@]1(C)CCCC1N=Nc1ccnc(F)c1 ZINC000844589291 588205462 /nfs/dbraw/zinc/20/54/62/588205462.db2.gz FLTBOVCMKUYHTR-CYBMUJFWSA-N 0 0 235.306 3.589 20 30 BHEDRN CC[C@@]1(C)CCCC1N=Nc1ccnc(F)c1 ZINC000844589293 588205482 /nfs/dbraw/zinc/20/54/82/588205482.db2.gz FLTBOVCMKUYHTR-ZDUSSCGKSA-N 0 0 235.306 3.589 20 30 BHEDRN CCC1(CC)CCC(=NN[C@H](C)CC#N)CC1 ZINC000844589371 588205715 /nfs/dbraw/zinc/20/57/15/588205715.db2.gz KYGRWIUXKZEUSB-GFCCVEGCSA-N 0 0 235.375 3.615 20 30 BHEDRN CCC1(CC)CCC(=NN[C@@H](C)CC#N)CC1 ZINC000844589374 588205666 /nfs/dbraw/zinc/20/56/66/588205666.db2.gz KYGRWIUXKZEUSB-LBPRGKRZSA-N 0 0 235.375 3.615 20 30 BHEDRN CC[C@@]1(C)CCCC1=NOCc1cccnc1 ZINC000844589453 588205499 /nfs/dbraw/zinc/20/54/99/588205499.db2.gz MFCNARCKVKSGKU-AWEZNQCLSA-N 0 0 232.327 3.554 20 30 BHEDRN CC[C@]1(C)CCCC1=NOCc1cccnc1 ZINC000844589454 588205548 /nfs/dbraw/zinc/20/55/48/588205548.db2.gz MFCNARCKVKSGKU-CQSZACIVSA-N 0 0 232.327 3.554 20 30 BHEDRN C=CC[C@H]1CCC(N=Nc2cc(Cl)ccn2)C1 ZINC000844589892 643445645 /nfs/dbraw/zinc/44/56/45/643445645.db2.gz OEHGFDLREMVSTE-JTQLQIEISA-N 0 0 249.745 3.879 20 30 BHEDRN C=CC[C@@H]1CCC(N=Nc2cc(Cl)ccn2)C1 ZINC000844589901 643445953 /nfs/dbraw/zinc/44/59/53/643445953.db2.gz OEHGFDLREMVSTE-SNVBAGLBSA-N 0 0 249.745 3.879 20 30 BHEDRN C=CC[C@@H]1CCC(N=Nc2ccc(OC)cc2)C1 ZINC000844590151 588206056 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588248770 /nfs/dbraw/zinc/24/87/70/588248770.db2.gz PXFQYMKPJCCHAB-VIFPVBQESA-N 0 0 234.286 3.566 20 30 BHEDRN C=C(C)CC[C@@H](C)OC(=O)CC[C@H](C)SC ZINC000845867087 588248885 /nfs/dbraw/zinc/24/88/85/588248885.db2.gz MDVDNMJXJDCEOB-NEPJUHHUSA-N 0 0 244.400 3.806 20 30 BHEDRN C=C(C)CC[C@H](C)OC(=O)CC[C@@H](C)SC ZINC000845867089 588249004 /nfs/dbraw/zinc/24/90/04/588249004.db2.gz MDVDNMJXJDCEOB-NWDGAFQWSA-N 0 0 244.400 3.806 20 30 BHEDRN C=C(C)CC[C@H](C)OC(=O)CC[C@H](C)SC ZINC000845867091 588248997 /nfs/dbraw/zinc/24/89/97/588248997.db2.gz MDVDNMJXJDCEOB-RYUDHWBXSA-N 0 0 244.400 3.806 20 30 BHEDRN C=C(C)CC[C@@H](C)OC(=O)CC[C@@H](C)SC ZINC000845867092 588248960 /nfs/dbraw/zinc/24/89/60/588248960.db2.gz MDVDNMJXJDCEOB-VXGBXAGGSA-N 0 0 244.400 3.806 20 30 BHEDRN C=C(C)CC[C@@H](C)OC(=O)[C@@H]1CCCCS1 ZINC000845867627 588248899 /nfs/dbraw/zinc/24/88/99/588248899.db2.gz PJAJLTSTBYIBDW-NEPJUHHUSA-N 0 0 242.384 3.560 20 30 BHEDRN C=C(C)CC[C@H](C)OC(=O)[C@H]1CCCCS1 ZINC000845867628 588248918 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CC[C@H](C)c1ccccc1OC(=O)[C@H](C)CC#N ZINC000850746484 588564947 /nfs/dbraw/zinc/56/49/47/588564947.db2.gz JABREKXHWZUDAW-NWDGAFQWSA-N 0 0 245.322 3.655 20 30 BHEDRN CC[C@H](C)c1ccccc1OC(=O)[C@@H](C)CC#N ZINC000850746485 588564863 /nfs/dbraw/zinc/56/48/63/588564863.db2.gz JABREKXHWZUDAW-RYUDHWBXSA-N 0 0 245.322 3.655 20 30 BHEDRN CC[C@@H](C)c1ccccc1OC(=O)[C@H](C)CC#N ZINC000850746486 588564898 /nfs/dbraw/zinc/56/48/98/588564898.db2.gz JABREKXHWZUDAW-VXGBXAGGSA-N 0 0 245.322 3.655 20 30 BHEDRN Cc1ccc(C(C)C)cc1OC(=O)[C@H](C)CC#N ZINC000850746544 582930534 /nfs/dbraw/zinc/93/05/34/582930534.db2.gz LVBWDKUXJDYNSF-GFCCVEGCSA-N 0 0 245.322 3.574 20 30 BHEDRN Cc1ccc(C(C)C)cc1OC(=O)[C@@H](C)CC#N ZINC000850746545 582930488 /nfs/dbraw/zinc/93/04/88/582930488.db2.gz LVBWDKUXJDYNSF-LBPRGKRZSA-N 0 0 245.322 3.574 20 30 BHEDRN CC[C@@H](C)c1ccc(OC(=O)[C@@H](C)CC#N)cc1 ZINC000850746725 582930495 /nfs/dbraw/zinc/93/04/95/582930495.db2.gz OQLNIBOTHMFWRF-NEPJUHHUSA-N 0 0 245.322 3.655 20 30 BHEDRN CC[C@H](C)c1ccc(OC(=O)[C@H](C)CC#N)cc1 ZINC000850746726 582930478 /nfs/dbraw/zinc/93/04/78/582930478.db2.gz OQLNIBOTHMFWRF-NWDGAFQWSA-N 0 0 245.322 3.655 20 30 BHEDRN CC[C@H](C)c1ccc(OC(=O)[C@@H](C)CC#N)cc1 ZINC000850746727 582930361 /nfs/dbraw/zinc/93/03/61/582930361.db2.gz OQLNIBOTHMFWRF-RYUDHWBXSA-N 0 0 245.322 3.655 20 30 BHEDRN CC[C@@H](C)c1ccc(OC(=O)[C@H](C)CC#N)cc1 ZINC000850746728 582930623 /nfs/dbraw/zinc/93/06/23/582930623.db2.gz OQLNIBOTHMFWRF-VXGBXAGGSA-N 0 0 245.322 3.655 20 30 BHEDRN C=CCc1ccccc1OC(=O)C1CC2(CC2)C1 ZINC000850749805 588565284 /nfs/dbraw/zinc/56/52/84/588565284.db2.gz WGGDURVEZPDRPQ-UHFFFAOYSA-N 0 0 242.318 3.511 20 30 BHEDRN CC[C@@H](OC(=O)[C@@H](C)CC#N)c1ccc(C)cc1 ZINC000850796505 588568428 /nfs/dbraw/zinc/56/84/28/588568428.db2.gz YPDPSGUEEPSQDN-GXTWGEPZSA-N 0 0 245.322 3.539 20 30 BHEDRN CC[C@H](OC(=O)[C@@H](C)CC#N)c1ccc(C)cc1 ZINC000850796507 588568476 /nfs/dbraw/zinc/56/84/76/588568476.db2.gz YPDPSGUEEPSQDN-JSGCOSHPSA-N 0 0 245.322 3.539 20 30 BHEDRN CC[C@H](OC(=O)[C@H](C)CC#N)c1ccc(C)cc1 ZINC000850796509 588568409 /nfs/dbraw/zinc/56/84/09/588568409.db2.gz YPDPSGUEEPSQDN-OCCSQVGLSA-N 0 0 245.322 3.539 20 30 BHEDRN CC[C@@H](OC(=O)[C@H](C)CC#N)c1ccc(C)cc1 ZINC000850796511 588568380 /nfs/dbraw/zinc/56/83/80/588568380.db2.gz YPDPSGUEEPSQDN-TZMCWYRMSA-N 0 0 245.322 3.539 20 30 BHEDRN CCC[C@@H](OC(=O)[C@@H](C)CC#N)c1ccccc1 ZINC000850802588 712611446 /nfs/dbraw/zinc/61/14/46/712611446.db2.gz WSZOPLCKKXQHMK-GXTWGEPZSA-N 0 0 245.322 3.621 20 30 BHEDRN CCC[C@H](OC(=O)[C@@H](C)CC#N)c1ccccc1 ZINC000850802590 712611335 /nfs/dbraw/zinc/61/13/35/712611335.db2.gz WSZOPLCKKXQHMK-JSGCOSHPSA-N 0 0 245.322 3.621 20 30 BHEDRN CCC[C@H](OC(=O)[C@H](C)CC#N)c1ccccc1 ZINC000850802591 712611438 /nfs/dbraw/zinc/61/14/38/712611438.db2.gz WSZOPLCKKXQHMK-OCCSQVGLSA-N 0 0 245.322 3.621 20 30 BHEDRN CCC[C@@H](OC(=O)[C@H](C)CC#N)c1ccccc1 ZINC000850802592 712611453 /nfs/dbraw/zinc/61/14/53/712611453.db2.gz WSZOPLCKKXQHMK-TZMCWYRMSA-N 0 0 245.322 3.621 20 30 BHEDRN CC(C)c1cccc(C(=O)O[C@@H](C#N)C(C)C)c1 ZINC000850809667 588568592 /nfs/dbraw/zinc/56/85/92/588568592.db2.gz CDRZMAOMLTYJOL-AWEZNQCLSA-N 0 0 245.322 3.515 20 30 BHEDRN CC(C)c1cccc(C(=O)O[C@H](C#N)C(C)C)c1 ZINC000850809668 588568622 /nfs/dbraw/zinc/56/86/22/588568622.db2.gz CDRZMAOMLTYJOL-CQSZACIVSA-N 0 0 245.322 3.515 20 30 BHEDRN C=C(C)[C@@H]1CC=C(COC(=O)CCCF)CC1 ZINC000850871839 588572682 /nfs/dbraw/zinc/57/26/82/588572682.db2.gz HZBFZHDSRMAROW-CYBMUJFWSA-N 0 0 240.318 3.582 20 30 BHEDRN C=C(C)[C@H]1CC=C(COC(=O)CCCF)CC1 ZINC000850871843 588572432 /nfs/dbraw/zinc/57/24/32/588572432.db2.gz HZBFZHDSRMAROW-ZDUSSCGKSA-N 0 0 240.318 3.582 20 30 BHEDRN CC1(OC(=O)CC2(C#N)CCCCC2)CCCC1 ZINC000850888600 588573911 /nfs/dbraw/zinc/57/39/11/588573911.db2.gz LUNLIIYDFSKPTF-UHFFFAOYSA-N 0 0 249.354 3.726 20 30 BHEDRN CC(C)c1cccc(C(=O)OCC(C)(C)C#N)c1 ZINC000850935032 588578375 /nfs/dbraw/zinc/57/83/75/588578375.db2.gz ARZXDORSVDCEEW-UHFFFAOYSA-N 0 0 245.322 3.517 20 30 BHEDRN CC(C)C[C@H](C)C[C@H](C)OC(=O)[C@@H](C)CC#N ZINC000850935405 588578427 /nfs/dbraw/zinc/57/84/27/588578427.db2.gz HVMLQAQGVWKSFG-AVGNSLFASA-N 0 0 239.359 3.540 20 30 BHEDRN CC(C)C[C@H](C)C[C@@H](C)OC(=O)[C@@H](C)CC#N ZINC000850935406 588578424 /nfs/dbraw/zinc/57/84/24/588578424.db2.gz HVMLQAQGVWKSFG-RWMBFGLXSA-N 0 0 239.359 3.540 20 30 BHEDRN CC(C)C[C@H](C)C[C@H](C)OC(=O)[C@H](C)CC#N ZINC000850935407 588578429 /nfs/dbraw/zinc/57/84/29/588578429.db2.gz HVMLQAQGVWKSFG-XQQFMLRXSA-N 0 0 239.359 3.540 20 30 BHEDRN CC(C)C[C@H](C)C[C@@H](C)OC(=O)[C@H](C)CC#N ZINC000850935408 588577174 /nfs/dbraw/zinc/57/71/74/588577174.db2.gz HVMLQAQGVWKSFG-YNEHKIRRSA-N 0 0 239.359 3.540 20 30 BHEDRN CC(C)c1ccccc1C(=O)OCC(C)(C)C#N ZINC000850935863 588578455 /nfs/dbraw/zinc/57/84/55/588578455.db2.gz QGFUKMDWAYJSDJ-UHFFFAOYSA-N 0 0 245.322 3.517 20 30 BHEDRN CC1=CC[C@](C)(C(=O)OCC(C)(C)CC#N)CC1 ZINC000850950998 588579286 /nfs/dbraw/zinc/57/92/86/588579286.db2.gz YQFUWEMUMBZKFX-HNNXBMFYSA-N 0 0 249.354 3.606 20 30 BHEDRN CC1=CC[C@@](C)(C(=O)OCC(C)(C)CC#N)CC1 ZINC000850950999 588579370 /nfs/dbraw/zinc/57/93/70/588579370.db2.gz YQFUWEMUMBZKFX-OAHLLOKOSA-N 0 0 249.354 3.606 20 30 BHEDRN C=CC[C@@H](OC(=O)CCCF)c1ccccc1 ZINC000850964520 588580370 /nfs/dbraw/zinc/58/03/70/588580370.db2.gz AEQGUBJKEZMFHI-CYBMUJFWSA-N 0 0 236.286 3.597 20 30 BHEDRN C=CC[C@H](OC(=O)CCCF)c1ccccc1 ZINC000850964523 588580448 /nfs/dbraw/zinc/58/04/48/588580448.db2.gz AEQGUBJKEZMFHI-ZDUSSCGKSA-N 0 0 236.286 3.597 20 30 BHEDRN C=C[C@H](C)OC(=O)C1(CC)CCC(F)(F)CC1 ZINC000850969010 588580695 /nfs/dbraw/zinc/58/06/95/588580695.db2.gz JSOXUPCKROTLIV-JTQLQIEISA-N 0 0 246.297 3.710 20 30 BHEDRN C=C[C@@H](C)OC(=O)C1(CC)CCC(F)(F)CC1 ZINC000850969011 588580762 /nfs/dbraw/zinc/58/07/62/588580762.db2.gz JSOXUPCKROTLIV-SNVBAGLBSA-N 0 0 246.297 3.710 20 30 BHEDRN CC[C@@H](CC#N)OC(=O)c1cccc(C(C)C)c1 ZINC000850978972 588581512 /nfs/dbraw/zinc/58/15/12/588581512.db2.gz DKIIZCVQISRSPD-AWEZNQCLSA-N 0 0 245.322 3.659 20 30 BHEDRN CC[C@H](CC#N)OC(=O)c1cccc(C(C)C)c1 ZINC000850978974 588581487 /nfs/dbraw/zinc/58/14/87/588581487.db2.gz DKIIZCVQISRSPD-CQSZACIVSA-N 0 0 245.322 3.659 20 30 BHEDRN CC[C@H](CC#N)OC(=O)c1ccccc1C(C)C ZINC000850979087 588581602 /nfs/dbraw/zinc/58/16/02/588581602.db2.gz HTQRSZCDEIUVFG-GFCCVEGCSA-N 0 0 245.322 3.659 20 30 BHEDRN CC[C@@H](CC#N)OC(=O)c1ccccc1C(C)C ZINC000850979089 588581637 /nfs/dbraw/zinc/58/16/37/588581637.db2.gz HTQRSZCDEIUVFG-LBPRGKRZSA-N 0 0 245.322 3.659 20 30 BHEDRN CC[C@H](CC#N)OC(=O)C1CC2(C1)CCCCC2 ZINC000850979447 588581994 /nfs/dbraw/zinc/58/19/94/588581994.db2.gz QHSGISPYCXAYKW-CYBMUJFWSA-N 0 0 249.354 3.582 20 30 BHEDRN CC[C@@H](CC#N)OC(=O)C1CC2(C1)CCCCC2 ZINC000850979449 588581978 /nfs/dbraw/zinc/58/19/78/588581978.db2.gz QHSGISPYCXAYKW-ZDUSSCGKSA-N 0 0 249.354 3.582 20 30 BHEDRN CC1(COC(=O)CC2(C#N)CCCCC2)CCC1 ZINC000850988482 588582258 /nfs/dbraw/zinc/58/22/58/588582258.db2.gz RFNFYKZLYLDBBK-UHFFFAOYSA-N 0 0 249.354 3.584 20 30 BHEDRN CC1(CCOC(=O)CC2(C#N)CCCCC2)CC1 ZINC000850989779 588582573 /nfs/dbraw/zinc/58/25/73/588582573.db2.gz FMZYPZIIMLYLLP-UHFFFAOYSA-N 0 0 249.354 3.584 20 30 BHEDRN CCC1(COC(=O)CC2(C#N)CCCCC2)CC1 ZINC000851048748 588586833 /nfs/dbraw/zinc/58/68/33/588586833.db2.gz JFRLFILFRKQNLW-UHFFFAOYSA-N 0 0 249.354 3.584 20 30 BHEDRN C=CC(C)(C)COC(=O)CC1(C#N)CCCCC1 ZINC000851063882 588588227 /nfs/dbraw/zinc/58/82/27/588588227.db2.gz KKTNFAYBWWUHOP-UHFFFAOYSA-N 0 0 249.354 3.606 20 30 BHEDRN CC1(C)CC[C@H]1OC(=O)CC1(C#N)CCCCC1 ZINC000851093671 588590060 /nfs/dbraw/zinc/59/00/60/588590060.db2.gz VIIODTHTZLLZHQ-GFCCVEGCSA-N 0 0 249.354 3.582 20 30 BHEDRN CC1(C)CC[C@@H]1OC(=O)CC1(C#N)CCCCC1 ZINC000851093672 588590072 /nfs/dbraw/zinc/59/00/72/588590072.db2.gz VIIODTHTZLLZHQ-LBPRGKRZSA-N 0 0 249.354 3.582 20 30 BHEDRN C[C@H](CC#N)C(=O)OC1CCC2(CCCC2)CC1 ZINC000851105922 588591213 /nfs/dbraw/zinc/59/12/13/588591213.db2.gz RXGFOSSGKPOJMF-GFCCVEGCSA-N 0 0 249.354 3.582 20 30 BHEDRN C[C@@H](CC#N)C(=O)OC1CCC2(CCCC2)CC1 ZINC000851105924 588591286 /nfs/dbraw/zinc/59/12/86/588591286.db2.gz RXGFOSSGKPOJMF-LBPRGKRZSA-N 0 0 249.354 3.582 20 30 BHEDRN C#CCCC[C@H](C)OC(=O)[C@](C)(F)CCCC ZINC000851113877 588591986 /nfs/dbraw/zinc/59/19/86/588591986.db2.gz MLUVENQHPNCZFL-GXTWGEPZSA-N 0 0 242.334 3.640 20 30 BHEDRN C#CCCC[C@H](C)OC(=O)[C@@](C)(F)CCCC ZINC000851113878 588591965 /nfs/dbraw/zinc/59/19/65/588591965.db2.gz MLUVENQHPNCZFL-JSGCOSHPSA-N 0 0 242.334 3.640 20 30 BHEDRN C#CCCC[C@@H](C)OC(=O)[C@@](C)(F)CCCC ZINC000851113879 588592053 /nfs/dbraw/zinc/59/20/53/588592053.db2.gz MLUVENQHPNCZFL-OCCSQVGLSA-N 0 0 242.334 3.640 20 30 BHEDRN C#CCCC[C@@H](C)OC(=O)[C@](C)(F)CCCC ZINC000851113880 588591878 /nfs/dbraw/zinc/59/18/78/588591878.db2.gz MLUVENQHPNCZFL-TZMCWYRMSA-N 0 0 242.334 3.640 20 30 BHEDRN C#CCCC[C@@H](C)OC(=O)c1ccc(CF)cc1 ZINC000851114640 588591890 /nfs/dbraw/zinc/59/18/90/588591890.db2.gz VNRBVKXXYSJVHB-GFCCVEGCSA-N 0 0 248.297 3.505 20 30 BHEDRN C#CCCC[C@H](C)OC(=O)c1ccc(CF)cc1 ZINC000851114641 588591879 /nfs/dbraw/zinc/59/18/79/588591879.db2.gz VNRBVKXXYSJVHB-LBPRGKRZSA-N 0 0 248.297 3.505 20 30 BHEDRN C[C@H](OC(=O)CCCCCC#N)C1CCCC1 ZINC000851141166 588594194 /nfs/dbraw/zinc/59/41/94/588594194.db2.gz WWZZQJOPCPTKNK-LBPRGKRZSA-N 0 0 237.343 3.582 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1OC(=O)/C=C\SC ZINC000851141862 588594340 /nfs/dbraw/zinc/59/43/40/588594340.db2.gz DZBZUWOGCFIDGS-CYRCAWSMSA-N 0 0 240.368 3.541 20 30 BHEDRN C=CC[C@@H]1CCCC[C@H]1OC(=O)/C=C/SC ZINC000851141863 588594203 /nfs/dbraw/zinc/59/42/03/588594203.db2.gz DZBZUWOGCFIDGS-CZHKVUGUSA-N 0 0 240.368 3.541 20 30 BHEDRN C=CC[C@@H]1CCCC[C@H]1OC(=O)/C=C\SC ZINC000851141864 588593555 /nfs/dbraw/zinc/59/35/55/588593555.db2.gz DZBZUWOGCFIDGS-MNQYACPRSA-N 0 0 240.368 3.541 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1OC(=O)/C=C/SC ZINC000851141865 588593351 /nfs/dbraw/zinc/59/33/51/588593351.db2.gz DZBZUWOGCFIDGS-ZGFRAZBVSA-N 0 0 240.368 3.541 20 30 BHEDRN C=CC[C@@H]1CCCC[C@H]1OC(=O)CC(C)(C)C#N ZINC000851144591 588594677 /nfs/dbraw/zinc/59/46/77/588594677.db2.gz SDZFPINXDQBAGX-CHWSQXEVSA-N 0 0 249.354 3.604 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1OC(=O)CC(C)(C)C#N ZINC000851144594 588594508 /nfs/dbraw/zinc/59/45/08/588594508.db2.gz SDZFPINXDQBAGX-OLZOCXBDSA-N 0 0 249.354 3.604 20 30 BHEDRN C=CC[C@H]1CCCC[C@H]1OC(=O)CC(C)(C)C#N ZINC000851144597 588594668 /nfs/dbraw/zinc/59/46/68/588594668.db2.gz SDZFPINXDQBAGX-QWHCGFSZSA-N 0 0 249.354 3.604 20 30 BHEDRN C=CC[C@H]1CCCC[C@@H]1OC(=O)CC(C)(C)C#N ZINC000851144600 588594583 /nfs/dbraw/zinc/59/45/83/588594583.db2.gz SDZFPINXDQBAGX-STQMWFEESA-N 0 0 249.354 3.604 20 30 BHEDRN C=CC[C@@H]1CCCC[C@H]1OC(=O)CCC(F)F ZINC000851145579 588594629 /nfs/dbraw/zinc/59/46/29/588594629.db2.gz XKQDXCRPPKYOOD-GHMZBOCLSA-N 0 0 246.297 3.710 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1OC(=O)CCC(F)F ZINC000851145580 588594623 /nfs/dbraw/zinc/59/46/23/588594623.db2.gz XKQDXCRPPKYOOD-MNOVXSKESA-N 0 0 246.297 3.710 20 30 BHEDRN C=CC[C@H]1CCCC[C@@H]1OC(=O)CCC(F)F ZINC000851145581 588594477 /nfs/dbraw/zinc/59/44/77/588594477.db2.gz XKQDXCRPPKYOOD-QWRGUYRKSA-N 0 0 246.297 3.710 20 30 BHEDRN C=CC[C@H]1CCCC[C@H]1OC(=O)CCC(F)F ZINC000851145582 588594674 /nfs/dbraw/zinc/59/46/74/588594674.db2.gz XKQDXCRPPKYOOD-WDEREUQCSA-N 0 0 246.297 3.710 20 30 BHEDRN C=CC[C@H]1CCCC[C@@H]1OC(=O)CCCCC#N ZINC000851145727 588594384 /nfs/dbraw/zinc/59/43/84/588594384.db2.gz ZMQDQUREXVMEGD-KBPBESRZSA-N 0 0 249.354 3.748 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1OC(=O)CCCCC#N ZINC000851145728 588594690 /nfs/dbraw/zinc/59/46/90/588594690.db2.gz ZMQDQUREXVMEGD-KGLIPLIRSA-N 0 0 249.354 3.748 20 30 BHEDRN C=CC[C@H]1CCCC[C@H]1OC(=O)CCCCC#N ZINC000851145729 588594639 /nfs/dbraw/zinc/59/46/39/588594639.db2.gz ZMQDQUREXVMEGD-UONOGXRCSA-N 0 0 249.354 3.748 20 30 BHEDRN C=CC[C@@H]1CCCC[C@H]1OC(=O)CCCCC#N ZINC000851145730 588594458 /nfs/dbraw/zinc/59/44/58/588594458.db2.gz ZMQDQUREXVMEGD-ZIAGYGMSSA-N 0 0 249.354 3.748 20 30 BHEDRN C=CCCCC(=O)O[C@H](C)Cc1ccsc1 ZINC000851146297 588595036 /nfs/dbraw/zinc/59/50/36/588595036.db2.gz TUOJVTRQCHCMDK-LLVKDONJSA-N 0 0 238.352 3.579 20 30 BHEDRN C=CCCCC(=O)O[C@@H](C)Cc1ccsc1 ZINC000851146298 588594888 /nfs/dbraw/zinc/59/48/88/588594888.db2.gz TUOJVTRQCHCMDK-NSHDSACASA-N 0 0 238.352 3.579 20 30 BHEDRN C=CCC(C)(C)C(=O)OCC(C)(C)CSC ZINC000851170334 588595851 /nfs/dbraw/zinc/59/58/51/588595851.db2.gz SESMKKUZFBWTKU-UHFFFAOYSA-N 0 0 244.400 3.521 20 30 BHEDRN C=C(C)C(C)(C)C(=O)OCC(C)(C)CSC ZINC000851170574 588595747 /nfs/dbraw/zinc/59/57/47/588595747.db2.gz XTWNMEYGULHIEM-UHFFFAOYSA-N 0 0 244.400 3.521 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)OCC(C)(C)CSC ZINC000851171539 588595790 /nfs/dbraw/zinc/59/57/90/588595790.db2.gz VPGIHPCPWDIQBB-LLVKDONJSA-N 0 0 244.400 3.521 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)OCC(C)(C)CSC ZINC000851171540 588595554 /nfs/dbraw/zinc/59/55/54/588595554.db2.gz VPGIHPCPWDIQBB-NSHDSACASA-N 0 0 244.400 3.521 20 30 BHEDRN CC(C)CCCC(=O)O[C@H](C)CC(C)(C)C#N ZINC000851203983 588596452 /nfs/dbraw/zinc/59/64/52/588596452.db2.gz IGLRMTLIXCZOCN-GFCCVEGCSA-N 0 0 239.359 3.684 20 30 BHEDRN CC(C)CCCC(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851203984 588596374 /nfs/dbraw/zinc/59/63/74/588596374.db2.gz IGLRMTLIXCZOCN-LBPRGKRZSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCC[C@@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851204109 588596423 /nfs/dbraw/zinc/59/64/23/588596423.db2.gz JSKOVMGDBOZFIB-NEPJUHHUSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCC[C@H](C)C(=O)O[C@H](C)CC(C)(C)C#N ZINC000851204110 588596497 /nfs/dbraw/zinc/59/64/97/588596497.db2.gz JSKOVMGDBOZFIB-NWDGAFQWSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCC[C@H](C)C(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851204111 588596364 /nfs/dbraw/zinc/59/63/64/588596364.db2.gz JSKOVMGDBOZFIB-RYUDHWBXSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCC[C@@H](C)C(=O)O[C@H](C)CC(C)(C)C#N ZINC000851204112 588596409 /nfs/dbraw/zinc/59/64/09/588596409.db2.gz JSKOVMGDBOZFIB-VXGBXAGGSA-N 0 0 239.359 3.684 20 30 BHEDRN CC[C@@H](C)CCC(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851204531 588596397 /nfs/dbraw/zinc/59/63/97/588596397.db2.gz RMSQPHXPRMBNIM-NEPJUHHUSA-N 0 0 239.359 3.684 20 30 BHEDRN CC[C@H](C)CCC(=O)O[C@H](C)CC(C)(C)C#N ZINC000851204533 588596342 /nfs/dbraw/zinc/59/63/42/588596342.db2.gz RMSQPHXPRMBNIM-NWDGAFQWSA-N 0 0 239.359 3.684 20 30 BHEDRN CC[C@H](C)CCC(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851204534 588596403 /nfs/dbraw/zinc/59/64/03/588596403.db2.gz RMSQPHXPRMBNIM-RYUDHWBXSA-N 0 0 239.359 3.684 20 30 BHEDRN CC[C@@H](C)CCC(=O)O[C@H](C)CC(C)(C)C#N ZINC000851204535 588596550 /nfs/dbraw/zinc/59/65/50/588596550.db2.gz RMSQPHXPRMBNIM-VXGBXAGGSA-N 0 0 239.359 3.684 20 30 BHEDRN CC(C)C(C)(C)C(=O)O[C@H](C)CC(C)(C)C#N ZINC000851204993 588596705 /nfs/dbraw/zinc/59/67/05/588596705.db2.gz BOQPZOLCRZCFNR-LLVKDONJSA-N 0 0 239.359 3.540 20 30 BHEDRN CC(C)C(C)(C)C(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851204995 588596408 /nfs/dbraw/zinc/59/64/08/588596408.db2.gz BOQPZOLCRZCFNR-NSHDSACASA-N 0 0 239.359 3.540 20 30 BHEDRN C[C@H](CC(C)(C)C#N)OC(=O)C[C@@H]1C=CCCC1 ZINC000851205366 588596671 /nfs/dbraw/zinc/59/66/71/588596671.db2.gz FRQIVAIPVLMVHK-CHWSQXEVSA-N 0 0 249.354 3.604 20 30 BHEDRN C[C@H](CC(C)(C)C#N)OC(=O)C[C@H]1C=CCCC1 ZINC000851205368 588596699 /nfs/dbraw/zinc/59/66/99/588596699.db2.gz FRQIVAIPVLMVHK-OLZOCXBDSA-N 0 0 249.354 3.604 20 30 BHEDRN C[C@@H](CC(C)(C)C#N)OC(=O)C[C@@H]1C=CCCC1 ZINC000851205370 588596670 /nfs/dbraw/zinc/59/66/70/588596670.db2.gz FRQIVAIPVLMVHK-QWHCGFSZSA-N 0 0 249.354 3.604 20 30 BHEDRN C[C@@H](CC(C)(C)C#N)OC(=O)C[C@H]1C=CCCC1 ZINC000851205372 588596582 /nfs/dbraw/zinc/59/65/82/588596582.db2.gz FRQIVAIPVLMVHK-STQMWFEESA-N 0 0 249.354 3.604 20 30 BHEDRN C[C@H](CC(C)(C)C#N)OC(=O)C1=CCCCCC1 ZINC000851205548 588596605 /nfs/dbraw/zinc/59/66/05/588596605.db2.gz HPQCJGOPTDGOIR-GFCCVEGCSA-N 0 0 249.354 3.748 20 30 BHEDRN C[C@@H](CC(C)(C)C#N)OC(=O)C1=CCCCCC1 ZINC000851205549 588596709 /nfs/dbraw/zinc/59/67/09/588596709.db2.gz HPQCJGOPTDGOIR-LBPRGKRZSA-N 0 0 249.354 3.748 20 30 BHEDRN C[C@H](CC(C)(C)C#N)OC(=O)[C@@]1(C)CC=CCC1 ZINC000851206180 588596729 /nfs/dbraw/zinc/59/67/29/588596729.db2.gz PCWPLOVBPRHJHU-DOMZBBRYSA-N 0 0 249.354 3.604 20 30 BHEDRN C[C@H](CC(C)(C)C#N)OC(=O)[C@]1(C)CC=CCC1 ZINC000851206182 588596637 /nfs/dbraw/zinc/59/66/37/588596637.db2.gz PCWPLOVBPRHJHU-IUODEOHRSA-N 0 0 249.354 3.604 20 30 BHEDRN C[C@@H](CC(C)(C)C#N)OC(=O)[C@]1(C)CC=CCC1 ZINC000851206184 582950499 /nfs/dbraw/zinc/95/04/99/582950499.db2.gz PCWPLOVBPRHJHU-SWLSCSKDSA-N 0 0 249.354 3.604 20 30 BHEDRN C[C@@H](CC(C)(C)C#N)OC(=O)[C@@]1(C)CC=CCC1 ZINC000851206187 582950451 /nfs/dbraw/zinc/95/04/51/582950451.db2.gz PCWPLOVBPRHJHU-WFASDCNBSA-N 0 0 249.354 3.604 20 30 BHEDRN CCCC(C)(C)C(=O)O[C@H](C)CC(C)(C)C#N ZINC000851206246 588596704 /nfs/dbraw/zinc/59/67/04/588596704.db2.gz PRIGLJDBXXAPJT-LLVKDONJSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCC(C)(C)C(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851206247 588596628 /nfs/dbraw/zinc/59/66/28/588596628.db2.gz PRIGLJDBXXAPJT-NSHDSACASA-N 0 0 239.359 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ZINC000851209003 588596872 /nfs/dbraw/zinc/59/68/72/588596872.db2.gz HQBMCZFYGRCUMO-LBPRGKRZSA-N 0 0 249.354 3.626 20 30 BHEDRN C[C@H](CC(C)(C)C#N)OC(=O)/C=C1\CC[C@@H](C)C1 ZINC000851209074 588596910 /nfs/dbraw/zinc/59/69/10/588596910.db2.gz ICYZHYRQZIYDSI-CDRMENOJSA-N 0 0 249.354 3.604 20 30 BHEDRN C[C@@H](CC(C)(C)C#N)OC(=O)/C=C1\CC[C@@H](C)C1 ZINC000851209075 588596848 /nfs/dbraw/zinc/59/68/48/588596848.db2.gz ICYZHYRQZIYDSI-DQSXNGOJSA-N 0 0 249.354 3.604 20 30 BHEDRN C[C@H](CC(C)(C)C#N)OC(=O)/C=C1/CC[C@@H](C)C1 ZINC000851209076 588596940 /nfs/dbraw/zinc/59/69/40/588596940.db2.gz ICYZHYRQZIYDSI-IMQMQEMRSA-N 0 0 249.354 3.604 20 30 BHEDRN C[C@@H](CC(C)(C)C#N)OC(=O)/C=C1/CC[C@@H](C)C1 ZINC000851209077 588596883 /nfs/dbraw/zinc/59/68/83/588596883.db2.gz ICYZHYRQZIYDSI-LSOFDGFXSA-N 0 0 249.354 3.604 20 30 BHEDRN C[C@H](CC(C)(C)C#N)OC(=O)CCC(C)(C)C ZINC000851209858 588596931 /nfs/dbraw/zinc/59/69/31/588596931.db2.gz PVMMHKCQRBOQLU-LLVKDONJSA-N 0 0 239.359 3.684 20 30 BHEDRN C[C@@H](CC(C)(C)C#N)OC(=O)CCC(C)(C)C ZINC000851209859 588596926 /nfs/dbraw/zinc/59/69/26/588596926.db2.gz PVMMHKCQRBOQLU-NSHDSACASA-N 0 0 239.359 3.684 20 30 BHEDRN CCC(CC)CC(=O)O[C@H](C)CC(C)(C)C#N ZINC000851209928 588596844 /nfs/dbraw/zinc/59/68/44/588596844.db2.gz QRWYMTQUBJQPJG-LLVKDONJSA-N 0 0 239.359 3.684 20 30 BHEDRN CCC(CC)CC(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851209930 588596909 /nfs/dbraw/zinc/59/69/09/588596909.db2.gz QRWYMTQUBJQPJG-NSHDSACASA-N 0 0 239.359 3.684 20 30 BHEDRN CCC(=CC(=O)O[C@H](C)CC(C)(C)C#N)CC ZINC000851209931 588596835 /nfs/dbraw/zinc/59/68/35/588596835.db2.gz QSGGZCQNSTUBGW-LLVKDONJSA-N 0 0 237.343 3.604 20 30 BHEDRN CCC(=CC(=O)O[C@@H](C)CC(C)(C)C#N)CC ZINC000851209933 588596846 /nfs/dbraw/zinc/59/68/46/588596846.db2.gz QSGGZCQNSTUBGW-NSHDSACASA-N 0 0 237.343 3.604 20 30 BHEDRN C[C@H](CC(C)(C)C#N)OC(=O)CC1=CCCCC1 ZINC000851210101 588596773 /nfs/dbraw/zinc/59/67/73/588596773.db2.gz NVASWDGAFIKEQN-GFCCVEGCSA-N 0 0 249.354 3.748 20 30 BHEDRN 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CCC/C(C)=C/C(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851210891 582950694 /nfs/dbraw/zinc/95/06/94/582950694.db2.gz VWRCQLNWQNYCHG-OBIHZWKSSA-N 0 0 237.343 3.604 20 30 BHEDRN C[C@H](CC(C)(C)C#N)OC(=O)[C@@H](C)C(C)(C)C ZINC000851210934 588597047 /nfs/dbraw/zinc/59/70/47/588597047.db2.gz ZXZDGDPEFWCDCC-GHMZBOCLSA-N 0 0 239.359 3.540 20 30 BHEDRN C[C@H](CC(C)(C)C#N)OC(=O)[C@H](C)C(C)(C)C ZINC000851210936 588597054 /nfs/dbraw/zinc/59/70/54/588597054.db2.gz ZXZDGDPEFWCDCC-MNOVXSKESA-N 0 0 239.359 3.540 20 30 BHEDRN C[C@@H](C(=O)O[C@@H](C)CC(C)(C)C#N)C(C)(C)C ZINC000851210937 588597116 /nfs/dbraw/zinc/59/71/16/588597116.db2.gz ZXZDGDPEFWCDCC-QWRGUYRKSA-N 0 0 239.359 3.540 20 30 BHEDRN C[C@@H](CC(C)(C)C#N)OC(=O)[C@@H](C)C(C)(C)C ZINC000851210939 588597097 /nfs/dbraw/zinc/59/70/97/588597097.db2.gz ZXZDGDPEFWCDCC-WDEREUQCSA-N 0 0 239.359 3.540 20 30 BHEDRN CCC[C@@H](C)CC(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851211094 588597119 /nfs/dbraw/zinc/59/71/19/588597119.db2.gz ZOMAWQGXRBXSFA-NEPJUHHUSA-N 0 0 239.359 3.684 20 30 BHEDRN CCC[C@H](C)CC(=O)O[C@H](C)CC(C)(C)C#N ZINC000851211095 588597052 /nfs/dbraw/zinc/59/70/52/588597052.db2.gz ZOMAWQGXRBXSFA-NWDGAFQWSA-N 0 0 239.359 3.684 20 30 BHEDRN CCC[C@H](C)CC(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851211096 588597087 /nfs/dbraw/zinc/59/70/87/588597087.db2.gz ZOMAWQGXRBXSFA-RYUDHWBXSA-N 0 0 239.359 3.684 20 30 BHEDRN CCC[C@@H](C)CC(=O)O[C@H](C)CC(C)(C)C#N ZINC000851211097 588597019 /nfs/dbraw/zinc/59/70/19/588597019.db2.gz ZOMAWQGXRBXSFA-VXGBXAGGSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCCCCC(=O)O[C@H](C)CC(C)(C)C#N ZINC000851213253 588597046 /nfs/dbraw/zinc/59/70/46/588597046.db2.gz PBIFMYHHYBFLOI-GFCCVEGCSA-N 0 0 239.359 3.828 20 30 BHEDRN CCCCCCC(=O)O[C@@H](C)CC(C)(C)C#N ZINC000851213256 588597075 /nfs/dbraw/zinc/59/70/75/588597075.db2.gz PBIFMYHHYBFLOI-LBPRGKRZSA-N 0 0 239.359 3.828 20 30 BHEDRN C=CC(C)(C)CCOC(=O)CCC(C)(F)F ZINC000851298723 588600143 /nfs/dbraw/zinc/60/01/43/588600143.db2.gz LHJPVGWDGQFPOT-UHFFFAOYSA-N 0 0 234.286 3.567 20 30 BHEDRN C=CC(C)(C)CCOC(=O)[C@H](C)c1ccco1 ZINC000851299366 588600110 /nfs/dbraw/zinc/60/01/10/588600110.db2.gz IQRJRNALTCHNJR-LLVKDONJSA-N 0 0 236.311 3.529 20 30 BHEDRN C=CC(C)(C)CCOC(=O)[C@@H](C)c1ccco1 ZINC000851299367 588600125 /nfs/dbraw/zinc/60/01/25/588600125.db2.gz IQRJRNALTCHNJR-NSHDSACASA-N 0 0 236.311 3.529 20 30 BHEDRN C=CC(C)(C)CCOC(=O)CCCCSC ZINC000851299411 588600199 /nfs/dbraw/zinc/60/01/99/588600199.db2.gz KPVNZTRFVFHHNS-UHFFFAOYSA-N 0 0 244.400 3.665 20 30 BHEDRN C=CC(C)(C)CCOC(=O)c1sccc1F ZINC000851299858 588600365 /nfs/dbraw/zinc/60/03/65/588600365.db2.gz BNXGHWOVIBMMIH-UHFFFAOYSA-N 0 0 242.315 3.646 20 30 BHEDRN C=CC(C)(C)CCOC(=O)CCCCCC#N ZINC000851299884 588600261 /nfs/dbraw/zinc/60/02/61/588600261.db2.gz COQHUSSUJMHHAG-UHFFFAOYSA-N 0 0 237.343 3.606 20 30 BHEDRN C=CC(C)(C)CCOC(=O)CC1CC(F)(F)C1 ZINC000851300037 588600310 /nfs/dbraw/zinc/60/03/10/588600310.db2.gz ARCRVNJDYZPMEH-UHFFFAOYSA-N 0 0 246.297 3.567 20 30 BHEDRN C=CC(C)(C)CCOC(=O)c1ccoc1Cl ZINC000851300224 588600382 /nfs/dbraw/zinc/60/03/82/588600382.db2.gz NKCROQKOHAQQSB-UHFFFAOYSA-N 0 0 242.702 3.692 20 30 BHEDRN C=CC(C)(C)CCOC(=O)[C@H]1CCC(F)(F)C1 ZINC000851300319 588600366 /nfs/dbraw/zinc/60/03/66/588600366.db2.gz QVRFBGQZHOHBRS-JTQLQIEISA-N 0 0 246.297 3.567 20 30 BHEDRN C=CC(C)(C)CCOC(=O)[C@@H]1CCC(F)(F)C1 ZINC000851300320 582956099 /nfs/dbraw/zinc/95/60/99/582956099.db2.gz QVRFBGQZHOHBRS-SNVBAGLBSA-N 0 0 246.297 3.567 20 30 BHEDRN C=CC(C)(C)CCOC(=O)[C@@H](CC)CC(F)F ZINC000851301456 588600571 /nfs/dbraw/zinc/60/05/71/588600571.db2.gz WBTAYYFXVFAZQB-JTQLQIEISA-N 0 0 248.313 3.813 20 30 BHEDRN C=CC(C)(C)CCOC(=O)[C@H](CC)CC(F)F ZINC000851301457 588600635 /nfs/dbraw/zinc/60/06/35/588600635.db2.gz WBTAYYFXVFAZQB-SNVBAGLBSA-N 0 0 248.313 3.813 20 30 BHEDRN C=CCCCC(=O)OCC(C)(C)C(C)(F)F ZINC000851341276 588601914 /nfs/dbraw/zinc/60/19/14/588601914.db2.gz YJOBUWBDEYRRQC-UHFFFAOYSA-N 0 0 234.286 3.567 20 30 BHEDRN C=CCC(C)(C)C(=O)OCC(C)(C)C(C)(F)F ZINC000851341776 582957687 /nfs/dbraw/zinc/95/76/87/582957687.db2.gz GOPOBDIAGFYXTA-UHFFFAOYSA-N 0 0 248.313 3.813 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)OCC(C)(C)C(C)(F)F ZINC000851342474 588602045 /nfs/dbraw/zinc/60/20/45/588602045.db2.gz GPBDPMHJZVFPMW-JTQLQIEISA-N 0 0 248.313 3.813 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)OCC(C)(C)C(C)(F)F ZINC000851342475 588601990 /nfs/dbraw/zinc/60/19/90/588601990.db2.gz GPBDPMHJZVFPMW-SNVBAGLBSA-N 0 0 248.313 3.813 20 30 BHEDRN C=C(C)C(C)(C)C(=O)OCC(C)(C)C(C)(F)F ZINC000851344065 588602158 /nfs/dbraw/zinc/60/21/58/588602158.db2.gz IHECZTFMZYOQES-UHFFFAOYSA-N 0 0 248.313 3.813 20 30 BHEDRN C=C[C@H](OC(=O)[C@@H]1CC12CCC2)c1ccccc1 ZINC000851451084 588605299 /nfs/dbraw/zinc/60/52/99/588605299.db2.gz CAPAAWNOALTRTI-KBPBESRZSA-N 0 0 242.318 3.647 20 30 BHEDRN C=C[C@H](OC(=O)[C@H]1CC12CCC2)c1ccccc1 ZINC000851451085 588605399 /nfs/dbraw/zinc/60/53/99/588605399.db2.gz CAPAAWNOALTRTI-KGLIPLIRSA-N 0 0 242.318 3.647 20 30 BHEDRN C=C[C@@H](OC(=O)[C@@H]1CC12CCC2)c1ccccc1 ZINC000851451086 588605348 /nfs/dbraw/zinc/60/53/48/588605348.db2.gz CAPAAWNOALTRTI-UONOGXRCSA-N 0 0 242.318 3.647 20 30 BHEDRN C=C[C@@H](OC(=O)[C@H]1CC12CCC2)c1ccccc1 ZINC000851451087 588605288 /nfs/dbraw/zinc/60/52/88/588605288.db2.gz CAPAAWNOALTRTI-ZIAGYGMSSA-N 0 0 242.318 3.647 20 30 BHEDRN C=C[C@H](OC(=O)CCCC#CC)c1ccccc1 ZINC000851451096 588605457 /nfs/dbraw/zinc/60/54/57/588605457.db2.gz CJPDVKPYXREKDM-HNNXBMFYSA-N 0 0 242.318 3.651 20 30 BHEDRN C=C[C@@H](OC(=O)CCCC#CC)c1ccccc1 ZINC000851451097 588605320 /nfs/dbraw/zinc/60/53/20/588605320.db2.gz CJPDVKPYXREKDM-OAHLLOKOSA-N 0 0 242.318 3.651 20 30 BHEDRN C=C[C@@H](OC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000851451450 588605417 /nfs/dbraw/zinc/60/54/17/588605417.db2.gz ICDVMYNCAFCYHD-CBBWQLFWSA-N 0 0 242.318 3.503 20 30 BHEDRN C=C[C@H](OC(=O)[C@H]1C[C@H]2C[C@H]2C1)c1ccccc1 ZINC000851451455 588605352 /nfs/dbraw/zinc/60/53/52/588605352.db2.gz ICDVMYNCAFCYHD-YJNKXOJESA-N 0 0 242.318 3.503 20 30 BHEDRN C=C[C@H](OC(=O)[C@H]1C[C@@H]1C1CC1)c1ccccc1 ZINC000851451709 588605382 /nfs/dbraw/zinc/60/53/82/588605382.db2.gz LAHOZWYVEYHJCH-ILXRZTDVSA-N 0 0 242.318 3.503 20 30 BHEDRN C=C[C@@H](OC(=O)[C@H]1C[C@@H]1C1CC1)c1ccccc1 ZINC000851451710 588605474 /nfs/dbraw/zinc/60/54/74/588605474.db2.gz LAHOZWYVEYHJCH-QLFBSQMISA-N 0 0 242.318 3.503 20 30 BHEDRN C=C[C@@H](OC(=O)C1(F)CCCC1)c1ccccc1 ZINC000851451920 588605369 /nfs/dbraw/zinc/60/53/69/588605369.db2.gz NHLITRKKYOFVSI-CYBMUJFWSA-N 0 0 248.297 3.739 20 30 BHEDRN C=C[C@H](OC(=O)C1(F)CCCC1)c1ccccc1 ZINC000851451921 588605379 /nfs/dbraw/zinc/60/53/79/588605379.db2.gz NHLITRKKYOFVSI-ZDUSSCGKSA-N 0 0 248.297 3.739 20 30 BHEDRN C=C[C@H](OC(=O)CCCCC#N)c1ccccc1 ZINC000851451930 588605476 /nfs/dbraw/zinc/60/54/76/588605476.db2.gz NIVZLNNMSDEYBX-AWEZNQCLSA-N 0 0 243.306 3.541 20 30 BHEDRN C=C[C@@H](OC(=O)CCCCC#N)c1ccccc1 ZINC000851451931 588605341 /nfs/dbraw/zinc/60/53/41/588605341.db2.gz NIVZLNNMSDEYBX-CQSZACIVSA-N 0 0 243.306 3.541 20 30 BHEDRN C=C[C@@H](OC(=O)CCC(F)F)c1ccccc1 ZINC000851452104 588605337 /nfs/dbraw/zinc/60/53/37/588605337.db2.gz OQOKXOAFJKQENV-LLVKDONJSA-N 0 0 240.249 3.502 20 30 BHEDRN C=C[C@H](OC(=O)CCC(F)F)c1ccccc1 ZINC000851452105 588604537 /nfs/dbraw/zinc/60/45/37/588604537.db2.gz OQOKXOAFJKQENV-NSHDSACASA-N 0 0 240.249 3.502 20 30 BHEDRN C=C[C@H](OC(=O)C1CC2(CC2)C1)c1ccccc1 ZINC000851452346 588605397 /nfs/dbraw/zinc/60/53/97/588605397.db2.gz RELBFNLVSHCALP-AWEZNQCLSA-N 0 0 242.318 3.647 20 30 BHEDRN C=C[C@@H](OC(=O)C1CC2(CC2)C1)c1ccccc1 ZINC000851452347 588605339 /nfs/dbraw/zinc/60/53/39/588605339.db2.gz RELBFNLVSHCALP-CQSZACIVSA-N 0 0 242.318 3.647 20 30 BHEDRN C=C[C@@H](OC(=O)[C@H](C)C1CC1)c1ccccc1 ZINC000851452664 588605608 /nfs/dbraw/zinc/60/56/08/588605608.db2.gz VPTKWHNVGNIOJB-BXUZGUMPSA-N 0 0 230.307 3.503 20 30 BHEDRN C=C[C@H](OC(=O)[C@@H](C)C1CC1)c1ccccc1 ZINC000851452666 588605487 /nfs/dbraw/zinc/60/54/87/588605487.db2.gz VPTKWHNVGNIOJB-FZMZJTMJSA-N 0 0 230.307 3.503 20 30 BHEDRN C=C[C@H](OC(=O)[C@H](C)C1CC1)c1ccccc1 ZINC000851452668 588605600 /nfs/dbraw/zinc/60/56/00/588605600.db2.gz VPTKWHNVGNIOJB-RISCZKNCSA-N 0 0 230.307 3.503 20 30 BHEDRN C=C[C@@H](OC(=O)[C@@H](C)C1CC1)c1ccccc1 ZINC000851452670 588605653 /nfs/dbraw/zinc/60/56/53/588605653.db2.gz VPTKWHNVGNIOJB-SMDDNHRTSA-N 0 0 230.307 3.503 20 30 BHEDRN C=C[C@@H](OC(=O)C1(CCF)CC1)c1ccccc1 ZINC000851452805 588605555 /nfs/dbraw/zinc/60/55/55/588605555.db2.gz WSDFPJFEDCRWCH-CYBMUJFWSA-N 0 0 248.297 3.597 20 30 BHEDRN C=C[C@H](OC(=O)C1(CCF)CC1)c1ccccc1 ZINC000851452806 588605485 /nfs/dbraw/zinc/60/54/85/588605485.db2.gz WSDFPJFEDCRWCH-ZDUSSCGKSA-N 0 0 248.297 3.597 20 30 BHEDRN C#CCCCCC(=O)O[C@@H](C=C)c1ccccc1 ZINC000851452866 588605551 /nfs/dbraw/zinc/60/55/51/588605551.db2.gz XOGWLUBWCBVZBY-HNNXBMFYSA-N 0 0 242.318 3.651 20 30 BHEDRN C#CCCCCC(=O)O[C@H](C=C)c1ccccc1 ZINC000851452867 588605544 /nfs/dbraw/zinc/60/55/44/588605544.db2.gz XOGWLUBWCBVZBY-OAHLLOKOSA-N 0 0 242.318 3.651 20 30 BHEDRN C=C[C@H](OC(=O)[C@@H](C)CC)c1ccccc1 ZINC000851453256 588605587 /nfs/dbraw/zinc/60/55/87/588605587.db2.gz PKGHZXJBYKIZGU-AAEUAGOBSA-N 0 0 218.296 3.503 20 30 BHEDRN C=C[C@@H](OC(=O)[C@H](C)CC)c1ccccc1 ZINC000851453257 588605531 /nfs/dbraw/zinc/60/55/31/588605531.db2.gz PKGHZXJBYKIZGU-DGCLKSJQSA-N 0 0 218.296 3.503 20 30 BHEDRN C=C[C@@H](OC(=O)[C@@H](C)CC)c1ccccc1 ZINC000851453258 588605538 /nfs/dbraw/zinc/60/55/38/588605538.db2.gz PKGHZXJBYKIZGU-WCQYABFASA-N 0 0 218.296 3.503 20 30 BHEDRN C=C[C@H](OC(=O)[C@H](C)CC)c1ccccc1 ZINC000851453259 588605513 /nfs/dbraw/zinc/60/55/13/588605513.db2.gz PKGHZXJBYKIZGU-YPMHNXCESA-N 0 0 218.296 3.503 20 30 BHEDRN CCC[C@@H]1CCCC[C@H]1OC(=O)CC1(C#N)CC1 ZINC000851453448 588605615 /nfs/dbraw/zinc/60/56/15/588605615.db2.gz QVDUFQBVFGFHJZ-CHWSQXEVSA-N 0 0 249.354 3.582 20 30 BHEDRN CCC[C@@H]1CCCC[C@@H]1OC(=O)CC1(C#N)CC1 ZINC000851453449 588605563 /nfs/dbraw/zinc/60/55/63/588605563.db2.gz QVDUFQBVFGFHJZ-OLZOCXBDSA-N 0 0 249.354 3.582 20 30 BHEDRN CCC[C@H]1CCCC[C@H]1OC(=O)CC1(C#N)CC1 ZINC000851453450 588605516 /nfs/dbraw/zinc/60/55/16/588605516.db2.gz QVDUFQBVFGFHJZ-QWHCGFSZSA-N 0 0 249.354 3.582 20 30 BHEDRN CCC[C@H]1CCCC[C@@H]1OC(=O)CC1(C#N)CC1 ZINC000851453451 588605680 /nfs/dbraw/zinc/60/56/80/588605680.db2.gz QVDUFQBVFGFHJZ-STQMWFEESA-N 0 0 249.354 3.582 20 30 BHEDRN CCC[C@@H]1CCCC[C@H]1OC(=O)CCCC#N ZINC000851453490 588605486 /nfs/dbraw/zinc/60/54/86/588605486.db2.gz RNSLHCUVSAJKAQ-CHWSQXEVSA-N 0 0 237.343 3.582 20 30 BHEDRN CCC[C@@H]1CCCC[C@@H]1OC(=O)CCCC#N ZINC000851453491 588605493 /nfs/dbraw/zinc/60/54/93/588605493.db2.gz RNSLHCUVSAJKAQ-OLZOCXBDSA-N 0 0 237.343 3.582 20 30 BHEDRN CCC[C@H]1CCCC[C@H]1OC(=O)CCCC#N ZINC000851453492 588605648 /nfs/dbraw/zinc/60/56/48/588605648.db2.gz RNSLHCUVSAJKAQ-QWHCGFSZSA-N 0 0 237.343 3.582 20 30 BHEDRN CCC[C@H]1CCCC[C@@H]1OC(=O)CCCC#N ZINC000851453493 588605553 /nfs/dbraw/zinc/60/55/53/588605553.db2.gz RNSLHCUVSAJKAQ-STQMWFEESA-N 0 0 237.343 3.582 20 30 BHEDRN C=C[C@@H](OC(=O)CC(C)C)c1ccccc1 ZINC000851453973 588605669 /nfs/dbraw/zinc/60/56/69/588605669.db2.gz VYOLKWFWCHWLFZ-CYBMUJFWSA-N 0 0 218.296 3.503 20 30 BHEDRN C=C[C@H](OC(=O)CC(C)C)c1ccccc1 ZINC000851453974 588605590 /nfs/dbraw/zinc/60/55/90/588605590.db2.gz VYOLKWFWCHWLFZ-ZDUSSCGKSA-N 0 0 218.296 3.503 20 30 BHEDRN C=C[C@H](OC(=O)C1CCCC1)c1ccccc1 ZINC000851454313 711684426 /nfs/dbraw/zinc/68/44/26/711684426.db2.gz ZXNQBOWCPLSRIN-AWEZNQCLSA-N 0 0 230.307 3.647 20 30 BHEDRN C=C[C@@H](OC(=O)C1CCCC1)c1ccccc1 ZINC000851454314 711684510 /nfs/dbraw/zinc/68/45/10/711684510.db2.gz ZXNQBOWCPLSRIN-CQSZACIVSA-N 0 0 230.307 3.647 20 30 BHEDRN N#CCCCCCC(=O)OCC1CC2(CCC2)C1 ZINC000851480175 588606808 /nfs/dbraw/zinc/60/68/08/588606808.db2.gz GOQQKUXLZWYDIW-UHFFFAOYSA-N 0 0 249.354 3.584 20 30 BHEDRN C=CCCC(=O)OCC(C)(C)C(F)(F)CC ZINC000851507462 588608377 /nfs/dbraw/zinc/60/83/77/588608377.db2.gz KANZKDYDNIQXMA-UHFFFAOYSA-N 0 0 234.286 3.567 20 30 BHEDRN C=CCCCC(=O)OCC(C)(C)C(F)(F)CC ZINC000851507738 588608356 /nfs/dbraw/zinc/60/83/56/588608356.db2.gz 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C=CC[C@@H]1CCCCC1=NN[C@H](C)C(F)(F)F ZINC000853353905 583040038 /nfs/dbraw/zinc/04/00/38/583040038.db2.gz OVNHBFWHEWCPKO-NXEZZACHSA-N 0 0 248.292 3.649 20 30 BHEDRN C=CC[C@H]1CCCCC1=NN[C@@H](C)C(F)(F)F ZINC000853353906 583039917 /nfs/dbraw/zinc/03/99/17/583039917.db2.gz OVNHBFWHEWCPKO-UWVGGRQHSA-N 0 0 248.292 3.649 20 30 BHEDRN C=CC[C@@H]1CCCCC1N=N[C@@H](C)C(F)(F)F ZINC000853353907 583039777 /nfs/dbraw/zinc/03/97/77/583039777.db2.gz OVNHBFWHEWCPKO-VHSXEESVSA-N 0 0 248.292 3.649 20 30 BHEDRN C=CC[C@H]1CCCCC1=NN[C@H](C)C(F)(F)F ZINC000853353908 583039809 /nfs/dbraw/zinc/03/98/09/583039809.db2.gz OVNHBFWHEWCPKO-ZJUUUORDSA-N 0 0 248.292 3.649 20 30 BHEDRN C=CCON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000853354913 588737531 /nfs/dbraw/zinc/73/75/31/588737531.db2.gz BLZVMIIVKAWJGW-NXEZZACHSA-N 0 0 235.249 3.544 20 30 BHEDRN C=CCON=C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000853354915 588737490 /nfs/dbraw/zinc/73/74/90/588737490.db2.gz BLZVMIIVKAWJGW-UWVGGRQHSA-N 0 0 235.249 3.544 20 30 BHEDRN C=CCON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000853354916 583040518 /nfs/dbraw/zinc/04/05/18/583040518.db2.gz BLZVMIIVKAWJGW-VHSXEESVSA-N 0 0 235.249 3.544 20 30 BHEDRN C=CCON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000853354922 583040612 /nfs/dbraw/zinc/04/06/12/583040612.db2.gz BLZVMIIVKAWJGW-ZJUUUORDSA-N 0 0 235.249 3.544 20 30 BHEDRN CCc1ccc(N=NC(C)CC(C)(C)C#N)cc1 ZINC000853355049 588737440 /nfs/dbraw/zinc/73/74/40/588737440.db2.gz FCQNMQSNXSTHSH-UHFFFAOYSA-N 0 0 243.354 3.977 20 30 BHEDRN CCc1ccc(N=NC2CCCSCC2)cc1 ZINC000853355066 588737443 /nfs/dbraw/zinc/73/74/43/588737443.db2.gz FVLAYPIPWJTBBA-UHFFFAOYSA-N 0 0 248.395 3.934 20 30 BHEDRN C=CCON=C1CCC(=C2CCC2)CC1 ZINC000853355328 588737546 /nfs/dbraw/zinc/73/75/46/588737546.db2.gz LDYULPOFFWITOJ-UHFFFAOYSA-N 0 0 205.301 3.600 20 30 BHEDRN CCc1ccc(N=NC(C)C2(OC)CCC2)cc1 ZINC000853355602 588737378 /nfs/dbraw/zinc/73/73/78/588737378.db2.gz RENXIPGFIZOYLH-UHFFFAOYSA-N 0 0 246.354 3.606 20 30 BHEDRN C1CC(=C2CCC(=NNC34CC(C3)C4)CC2)C1 ZINC000853367065 645492477 /nfs/dbraw/zinc/49/24/77/645492477.db2.gz VZNXIXVSIJGKTP-UHFFFAOYSA-N 0 0 230.355 3.539 20 30 BHEDRN CCCON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000853368073 588738563 /nfs/dbraw/zinc/73/85/63/588738563.db2.gz BCKIGRGUCJGOKW-NXEZZACHSA-N 0 0 237.265 3.768 20 30 BHEDRN CCCON=C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000853368074 588738480 /nfs/dbraw/zinc/73/84/80/588738480.db2.gz BCKIGRGUCJGOKW-UWVGGRQHSA-N 0 0 237.265 3.768 20 30 BHEDRN CCCON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000853368075 588738472 /nfs/dbraw/zinc/73/84/72/588738472.db2.gz BCKIGRGUCJGOKW-VHSXEESVSA-N 0 0 237.265 3.768 20 30 BHEDRN CCCON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000853368076 588738551 /nfs/dbraw/zinc/73/85/51/588738551.db2.gz BCKIGRGUCJGOKW-ZJUUUORDSA-N 0 0 237.265 3.768 20 30 BHEDRN C=C[C@H](C)ON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000853369093 588738372 /nfs/dbraw/zinc/73/83/72/588738372.db2.gz HEBKKQCUBLFEDD-AXFHLTTASA-N 0 0 249.276 3.932 20 30 BHEDRN C=C[C@H](C)ON=C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000853369094 588738569 /nfs/dbraw/zinc/73/85/69/588738569.db2.gz HEBKKQCUBLFEDD-DCAQKATOSA-N 0 0 249.276 3.932 20 30 BHEDRN C=C[C@H](C)ON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000853369095 588738434 /nfs/dbraw/zinc/73/84/34/588738434.db2.gz HEBKKQCUBLFEDD-GARJFASQSA-N 0 0 249.276 3.932 20 30 BHEDRN C=C[C@H](C)ON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000853369096 588738526 /nfs/dbraw/zinc/73/85/26/588738526.db2.gz HEBKKQCUBLFEDD-HBNTYKKESA-N 0 0 249.276 3.932 20 30 BHEDRN C=C(C)CON=C1CCC(=C2CCC2)CC1 ZINC000853369249 588738535 /nfs/dbraw/zinc/73/85/35/588738535.db2.gz JCZISTFMFMVAMU-UHFFFAOYSA-N 0 0 219.328 3.990 20 30 BHEDRN CCCON=C1CCC(=C2CCC2)CC1 ZINC000853369280 588735926 /nfs/dbraw/zinc/73/59/26/588735926.db2.gz VWQUBNLKEACNTA-UHFFFAOYSA-N 0 0 207.317 3.824 20 30 BHEDRN C=C(C)CON=C[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000853370082 588738687 /nfs/dbraw/zinc/73/86/87/588738687.db2.gz YSPYEOZHHYYQSM-GHMZBOCLSA-N 0 0 249.276 3.934 20 30 BHEDRN C=C(C)CON=C[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000853370083 588738685 /nfs/dbraw/zinc/73/86/85/588738685.db2.gz YSPYEOZHHYYQSM-MNOVXSKESA-N 0 0 249.276 3.934 20 30 BHEDRN C=C(C)CON=C[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000853370084 588738673 /nfs/dbraw/zinc/73/86/73/588738673.db2.gz YSPYEOZHHYYQSM-QWRGUYRKSA-N 0 0 249.276 3.934 20 30 BHEDRN C=C(C)CON=C[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000853370085 588738769 /nfs/dbraw/zinc/73/87/69/588738769.db2.gz YSPYEOZHHYYQSM-WDEREUQCSA-N 0 0 249.276 3.934 20 30 BHEDRN C=C[C@@H](C)ON=C1CCC(=C2CCC2)CC1 ZINC000853370246 588738708 /nfs/dbraw/zinc/73/87/08/588738708.db2.gz HVLAIMBNFVLONC-LLVKDONJSA-N 0 0 219.328 3.988 20 30 BHEDRN C=C[C@H](C)ON=C1CCC(=C2CCC2)CC1 ZINC000853370247 588738657 /nfs/dbraw/zinc/73/86/57/588738657.db2.gz HVLAIMBNFVLONC-NSHDSACASA-N 0 0 219.328 3.988 20 30 BHEDRN C[C@@H](C=NN1CCCC[C@@H]1C)c1ccccc1 ZINC000853378510 588738908 /nfs/dbraw/zinc/73/89/08/588738908.db2.gz FNWXEUMPPXXFCJ-KBPBESRZSA-N 0 0 230.355 3.650 20 30 BHEDRN C[C@H](C=NN1CCCC[C@@H]1C)c1ccccc1 ZINC000853378511 588738998 /nfs/dbraw/zinc/73/89/98/588738998.db2.gz FNWXEUMPPXXFCJ-KGLIPLIRSA-N 0 0 230.355 3.650 20 30 BHEDRN C[C@@H](C=NN1CCCC[C@H]1C)c1ccccc1 ZINC000853378512 588738887 /nfs/dbraw/zinc/73/88/87/588738887.db2.gz FNWXEUMPPXXFCJ-UONOGXRCSA-N 0 0 230.355 3.650 20 30 BHEDRN C[C@H](C=NN1CCCC[C@H]1C)c1ccccc1 ZINC000853378513 588738997 /nfs/dbraw/zinc/73/89/97/588738997.db2.gz FNWXEUMPPXXFCJ-ZIAGYGMSSA-N 0 0 230.355 3.650 20 30 BHEDRN CSc1ccc(C=NN2CCCC[C@H]2C)cc1 ZINC000853378569 588739037 /nfs/dbraw/zinc/73/90/37/588739037.db2.gz HIXLGUSXSSDAKD-GFCCVEGCSA-N 0 0 248.395 3.617 20 30 BHEDRN CSc1ccc(C=NN2CCCC[C@@H]2C)cc1 ZINC000853378570 588738892 /nfs/dbraw/zinc/73/88/92/588738892.db2.gz HIXLGUSXSSDAKD-LBPRGKRZSA-N 0 0 248.395 3.617 20 30 BHEDRN C[C@@H]1CCCCN1N=Cc1cscc1Cl ZINC000853378757 588738942 /nfs/dbraw/zinc/73/89/42/588738942.db2.gz CIINVJBLUMBEFU-SECBINFHSA-N 0 0 242.775 3.610 20 30 BHEDRN C[C@H]1CCCCN1N=Cc1cscc1Cl ZINC000853378758 588738970 /nfs/dbraw/zinc/73/89/70/588738970.db2.gz CIINVJBLUMBEFU-VIFPVBQESA-N 0 0 242.775 3.610 20 30 BHEDRN C[C@@H]1CCCCN1N=Cc1ccc(Cl)s1 ZINC000853378917 588739109 /nfs/dbraw/zinc/73/91/09/588739109.db2.gz AQXUDYXKINYNTN-SECBINFHSA-N 0 0 242.775 3.610 20 30 BHEDRN C[C@@H]1CCCCN1N=Cc1ccsc1Cl ZINC000853378919 588739096 /nfs/dbraw/zinc/73/90/96/588739096.db2.gz FCVIQYCCINZHJH-SECBINFHSA-N 0 0 242.775 3.610 20 30 BHEDRN C[C@H]1CCCCN1N=Cc1ccc(Cl)s1 ZINC000853378921 588739060 /nfs/dbraw/zinc/73/90/60/588739060.db2.gz AQXUDYXKINYNTN-VIFPVBQESA-N 0 0 242.775 3.610 20 30 BHEDRN C[C@H]1CCCCN1N=Cc1ccsc1Cl ZINC000853378922 588738943 /nfs/dbraw/zinc/73/89/43/588738943.db2.gz FCVIQYCCINZHJH-VIFPVBQESA-N 0 0 242.775 3.610 20 30 BHEDRN C[C@@H]1CCCCN1N=C[C@H]1C[C@H]1c1ccccc1 ZINC000853379073 588739228 /nfs/dbraw/zinc/73/92/28/588739228.db2.gz FTFZKWVPRGFUHA-BMFZPTHFSA-N 0 0 242.366 3.650 20 30 BHEDRN C[C@@H]1CCCCN1N=C[C@H]1C[C@@H]1c1ccccc1 ZINC000853379075 588739269 /nfs/dbraw/zinc/73/92/69/588739269.db2.gz FTFZKWVPRGFUHA-FVQBIDKESA-N 0 0 242.366 3.650 20 30 BHEDRN C[C@@H]1CCCCN1N=C[C@@H]1C[C@H]1c1ccccc1 ZINC000853379076 588739202 /nfs/dbraw/zinc/73/92/02/588739202.db2.gz FTFZKWVPRGFUHA-KBMXLJTQSA-N 0 0 242.366 3.650 20 30 BHEDRN C[C@@H]1CCCCN1N=C[C@@H]1C[C@@H]1c1ccccc1 ZINC000853379078 588739187 /nfs/dbraw/zinc/73/91/87/588739187.db2.gz FTFZKWVPRGFUHA-VNQPRFMTSA-N 0 0 242.366 3.650 20 30 BHEDRN CC(CCC(F)(F)F)=NN1CCCC[C@@H]1C ZINC000853379154 588738622 /nfs/dbraw/zinc/73/86/22/588738622.db2.gz GXNHKQFQUHSUCO-JTQLQIEISA-N 0 0 236.281 3.579 20 30 BHEDRN CC(CCC(F)(F)F)=NN1CCCC[C@H]1C ZINC000853379155 588738603 /nfs/dbraw/zinc/73/86/03/588738603.db2.gz GXNHKQFQUHSUCO-SNVBAGLBSA-N 0 0 236.281 3.579 20 30 BHEDRN C[C@@H]1CCCCN1N=C1CCC12CCCC2 ZINC000853379392 588739103 /nfs/dbraw/zinc/73/91/03/588739103.db2.gz IMWHXLPKRKFUPO-GFCCVEGCSA-N 0 0 220.360 3.571 20 30 BHEDRN C[C@H]1CCCCN1N=C1CCC12CCCC2 ZINC000853379393 588738780 /nfs/dbraw/zinc/73/87/80/588738780.db2.gz IMWHXLPKRKFUPO-LBPRGKRZSA-N 0 0 220.360 3.571 20 30 BHEDRN C[C@@H]1CCCCN1N=Cc1cc(Cl)cs1 ZINC000853379918 588739484 /nfs/dbraw/zinc/73/94/84/588739484.db2.gz NYXDWVJMEZZTNN-SECBINFHSA-N 0 0 242.775 3.610 20 30 BHEDRN C[C@H]1CCCCN1N=Cc1cc(Cl)cs1 ZINC000853379919 588739357 /nfs/dbraw/zinc/73/93/57/588739357.db2.gz NYXDWVJMEZZTNN-VIFPVBQESA-N 0 0 242.775 3.610 20 30 BHEDRN C[C@@H]1CCCCN1N=C1CCC2(CC2)CC1 ZINC000853380423 588739462 /nfs/dbraw/zinc/73/94/62/588739462.db2.gz UANUVHWYSGLBOH-GFCCVEGCSA-N 0 0 220.360 3.571 20 30 BHEDRN C[C@H]1CCCCN1N=C1CCC2(CC2)CC1 ZINC000853380426 588739390 /nfs/dbraw/zinc/73/93/90/588739390.db2.gz UANUVHWYSGLBOH-LBPRGKRZSA-N 0 0 220.360 3.571 20 30 BHEDRN C[C@@H]1CCCCN1N=Cc1coc2ccccc12 ZINC000853380738 588739642 /nfs/dbraw/zinc/73/96/42/588739642.db2.gz WKKJTJKGFNDKHC-GFCCVEGCSA-N 0 0 242.322 3.641 20 30 BHEDRN C[C@H]1CCCCN1N=Cc1coc2ccccc12 ZINC000853380740 588739587 /nfs/dbraw/zinc/73/95/87/588739587.db2.gz WKKJTJKGFNDKHC-LBPRGKRZSA-N 0 0 242.322 3.641 20 30 BHEDRN C[C@@H]1CCCCN1N=Cc1cc2ccccc2o1 ZINC000853381205 588739622 /nfs/dbraw/zinc/73/96/22/588739622.db2.gz YFENAAKTNSPUAZ-GFCCVEGCSA-N 0 0 242.322 3.641 20 30 BHEDRN C[C@H]1CCCCN1N=Cc1cc2ccccc2o1 ZINC000853381206 588739593 /nfs/dbraw/zinc/73/95/93/588739593.db2.gz YFENAAKTNSPUAZ-LBPRGKRZSA-N 0 0 242.322 3.641 20 30 BHEDRN C[C@@H]1CCCCN1N=C1CCC[C@H]1C(C)(C)C#N ZINC000853381506 588739543 /nfs/dbraw/zinc/73/95/43/588739543.db2.gz DYHCIMNOMKYSSS-CHWSQXEVSA-N 0 0 247.386 3.567 20 30 BHEDRN C[C@@H]1CCCCN1N=C1CCC[C@@H]1C(C)(C)C#N ZINC000853381507 588739611 /nfs/dbraw/zinc/73/96/11/588739611.db2.gz DYHCIMNOMKYSSS-OLZOCXBDSA-N 0 0 247.386 3.567 20 30 BHEDRN C[C@H]1CCCCN1N=C1CCC[C@H]1C(C)(C)C#N ZINC000853381508 588739553 /nfs/dbraw/zinc/73/95/53/588739553.db2.gz DYHCIMNOMKYSSS-QWHCGFSZSA-N 0 0 247.386 3.567 20 30 BHEDRN C[C@H]1CCCCN1N=C1CCC[C@@H]1C(C)(C)C#N ZINC000853381509 588739688 /nfs/dbraw/zinc/73/96/88/588739688.db2.gz DYHCIMNOMKYSSS-STQMWFEESA-N 0 0 247.386 3.567 20 30 BHEDRN C[C@H]1CCCCN1N=C[C@@H]1C[C@H]1c1ccccc1 ZINC000853381543 588739690 /nfs/dbraw/zinc/73/96/90/588739690.db2.gz FTFZKWVPRGFUHA-BPUTZDHNSA-N 0 0 242.366 3.650 20 30 BHEDRN C[C@@H]1CCCCN1N=C1CCCC12CCC2 ZINC000853381779 583044761 /nfs/dbraw/zinc/04/47/61/583044761.db2.gz LGNTWPSSFKVUKW-GFCCVEGCSA-N 0 0 220.360 3.571 20 30 BHEDRN C[C@H]1CCCCN1N=C1CCCC12CCC2 ZINC000853381780 583044737 /nfs/dbraw/zinc/04/47/37/583044737.db2.gz LGNTWPSSFKVUKW-LBPRGKRZSA-N 0 0 220.360 3.571 20 30 BHEDRN C[C@@H]1CCCCN1N=Cc1ccc2occc2c1 ZINC000853381912 588739806 /nfs/dbraw/zinc/73/98/06/588739806.db2.gz OOTFLEXPCRJIDM-GFCCVEGCSA-N 0 0 242.322 3.641 20 30 BHEDRN C[C@H]1CCCCN1N=Cc1ccc2occc2c1 ZINC000853381913 588739805 /nfs/dbraw/zinc/73/98/05/588739805.db2.gz OOTFLEXPCRJIDM-LBPRGKRZSA-N 0 0 242.322 3.641 20 30 BHEDRN C[C@@H]1CCCCN1N=C1CCC(C(F)F)CC1 ZINC000853381945 583044811 /nfs/dbraw/zinc/04/48/11/583044811.db2.gz PCWXFWUCCWAPBR-NFJWQWPMSA-N 0 0 244.329 3.672 20 30 BHEDRN C[C@H]1CCCCN1N=C1CCC(C(F)F)CC1 ZINC000853381946 583044920 /nfs/dbraw/zinc/04/49/20/583044920.db2.gz PCWXFWUCCWAPBR-VUWPPUDQSA-N 0 0 244.329 3.672 20 30 BHEDRN C[C@H](C=NN1CCCC[C@@H]1C)C(C)(C)C ZINC000853382054 588739767 /nfs/dbraw/zinc/73/97/67/588739767.db2.gz RMNPBPSDXZHUSL-NEPJUHHUSA-N 0 0 210.365 3.529 20 30 BHEDRN C[C@@H](C=NN1CCCC[C@H]1C)C(C)(C)C ZINC000853382055 588739835 /nfs/dbraw/zinc/73/98/35/588739835.db2.gz RMNPBPSDXZHUSL-NWDGAFQWSA-N 0 0 210.365 3.529 20 30 BHEDRN C[C@@H](C=NN1CCCC[C@@H]1C)C(C)(C)C ZINC000853382056 588739812 /nfs/dbraw/zinc/73/98/12/588739812.db2.gz RMNPBPSDXZHUSL-RYUDHWBXSA-N 0 0 210.365 3.529 20 30 BHEDRN C[C@H](C=NN1CCCC[C@H]1C)C(C)(C)C ZINC000853382057 588739810 /nfs/dbraw/zinc/73/98/10/588739810.db2.gz RMNPBPSDXZHUSL-VXGBXAGGSA-N 0 0 210.365 3.529 20 30 BHEDRN C[C@@H]1CCCCN1N=Cc1sccc1Cl ZINC000853382295 588740091 /nfs/dbraw/zinc/74/00/91/588740091.db2.gz XEKWYJLNEBPODM-SECBINFHSA-N 0 0 242.775 3.610 20 30 BHEDRN C[C@H]1CCCCN1N=Cc1sccc1Cl ZINC000853382296 588740134 /nfs/dbraw/zinc/74/01/34/588740134.db2.gz XEKWYJLNEBPODM-VIFPVBQESA-N 0 0 242.775 3.610 20 30 BHEDRN C[C@@H]1CCCCN1N=C1CCC[C@@H]1CCCF ZINC000853382360 588740079 /nfs/dbraw/zinc/74/00/79/588740079.db2.gz YMTLADAMLBPGKS-CHWSQXEVSA-N 0 0 240.366 3.767 20 30 BHEDRN C[C@@H]1CCCCN1N=C1CCC[C@H]1CCCF ZINC000853382361 588739990 /nfs/dbraw/zinc/73/99/90/588739990.db2.gz YMTLADAMLBPGKS-OLZOCXBDSA-N 0 0 240.366 3.767 20 30 BHEDRN C[C@H]1CCCCN1N=C1CCC[C@@H]1CCCF ZINC000853382362 588739970 /nfs/dbraw/zinc/73/99/70/588739970.db2.gz YMTLADAMLBPGKS-QWHCGFSZSA-N 0 0 240.366 3.767 20 30 BHEDRN C[C@H]1CCCCN1N=C1CCC[C@H]1CCCF ZINC000853382363 588739958 /nfs/dbraw/zinc/73/99/58/588739958.db2.gz YMTLADAMLBPGKS-STQMWFEESA-N 0 0 240.366 3.767 20 30 BHEDRN CC(C)CCSc1nc(C#N)c(Cl)s1 ZINC000853393246 588740577 /nfs/dbraw/zinc/74/05/77/588740577.db2.gz YZVAIYZQQUXGPJ-UHFFFAOYSA-N 0 0 246.788 3.806 20 30 BHEDRN Cc1ccc(F)cc1N=NC[C@@H]1CC=CCC1 ZINC000853393351 588740579 /nfs/dbraw/zinc/74/05/79/588740579.db2.gz CTHHDHGLKCPQOK-GFCCVEGCSA-N 0 0 232.302 3.888 20 30 BHEDRN Cc1ccc(F)cc1N=NC[C@H]1CC=CCC1 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ALAVBELHEIUCGH-UHFFFAOYSA-N 0 0 239.750 3.959 20 30 BHEDRN CC(N=Nc1ccnc(Cl)c1)C1CCCC1 ZINC000853393748 588740367 /nfs/dbraw/zinc/74/03/67/588740367.db2.gz AMOPFMPECUQPMO-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN CC1C=C(N=Nc2ccnc(Cl)c2)CCC1 ZINC000853393842 588740409 /nfs/dbraw/zinc/74/04/09/588740409.db2.gz COTGKYFKTNEFJV-UHFFFAOYSA-N 0 0 235.718 3.633 20 30 BHEDRN CC1CCC(N=Nc2ccnc(Cl)c2)CC1 ZINC000853393857 588740433 /nfs/dbraw/zinc/74/04/33/588740433.db2.gz DDELVVHAPBFVMC-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN Cc1ccc(F)cc1N=NC1CCC1(C)C ZINC000853393897 588740557 /nfs/dbraw/zinc/74/05/57/588740557.db2.gz UCQLOEAFLAOIRY-UHFFFAOYSA-N 0 0 220.291 3.722 20 30 BHEDRN Cc1ccc(F)cc1N=NC(C)CC(F)(F)F ZINC000853393928 588740395 /nfs/dbraw/zinc/74/03/95/588740395.db2.gz VLPJRRCVQIAXPF-UHFFFAOYSA-N 0 0 248.223 3.874 20 30 BHEDRN Clc1cc(N=NC2CCCCCC2)ccn1 ZINC000853393972 588740379 /nfs/dbraw/zinc/74/03/79/588740379.db2.gz FGFOPWXWHBQGAE-UHFFFAOYSA-N 0 0 237.734 3.857 20 30 BHEDRN Cc1ccc(F)cc1N=NC1CC2(CCC2)C1 ZINC000853394016 588740372 /nfs/dbraw/zinc/74/03/72/588740372.db2.gz WASBICIBAVHLQO-UHFFFAOYSA-N 0 0 232.302 3.866 20 30 BHEDRN CCCCC(C)N=Nc1ccnc(Cl)c1 ZINC000853394042 588740512 /nfs/dbraw/zinc/74/05/12/588740512.db2.gz GIDRWTSTGGDCSR-UHFFFAOYSA-N 0 0 225.723 3.713 20 30 BHEDRN Cc1ccc(F)cc1N=NC1CC(C(F)F)C1 ZINC000853394103 588740431 /nfs/dbraw/zinc/74/04/31/588740431.db2.gz XWBOESSKAMQWNE-UHFFFAOYSA-N 0 0 242.244 3.577 20 30 BHEDRN Cc1ccc(F)cc1N=NC(C)C1CCC1 ZINC000853394106 588740479 /nfs/dbraw/zinc/74/04/79/588740479.db2.gz XZZMDHRPBHXFRB-UHFFFAOYSA-N 0 0 220.291 3.722 20 30 BHEDRN Cc1ccc(F)cc1N=NC1CCC12CCC2 ZINC000853394107 633832419 /nfs/dbraw/zinc/83/24/19/633832419.db2.gz YALNFGQOJKVZKU-UHFFFAOYSA-N 0 0 232.302 3.866 20 30 BHEDRN C[C@@H]1CCCCC1N=Nc1ccnc(Cl)c1 ZINC000853394114 588740495 /nfs/dbraw/zinc/74/04/95/588740495.db2.gz HGVROFSJTMYQGB-SECBINFHSA-N 0 0 237.734 3.713 20 30 BHEDRN C[C@H]1CCCCC1N=Nc1ccnc(Cl)c1 ZINC000853394116 588740493 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KTWZJBLTXFTRKQ-UHFFFAOYSA-N 0 0 225.723 3.569 20 30 BHEDRN Clc1cc(N=NCC2CCCCC2)ccn1 ZINC000853394457 588740755 /nfs/dbraw/zinc/74/07/55/588740755.db2.gz PQHCKICFVRDUDH-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN C=CC[C@@H](C)C(C)N=Nc1ccnc(Cl)c1 ZINC000853394574 588740793 /nfs/dbraw/zinc/74/07/93/588740793.db2.gz TXUWBVMHQKGCQJ-SECBINFHSA-N 0 0 237.734 3.735 20 30 BHEDRN C=CC[C@H](C)C(C)N=Nc1ccnc(Cl)c1 ZINC000853394575 588740727 /nfs/dbraw/zinc/74/07/27/588740727.db2.gz TXUWBVMHQKGCQJ-VIFPVBQESA-N 0 0 237.734 3.735 20 30 BHEDRN C=CCCC(CC)N=Nc1ccnc(Cl)c1 ZINC000853394587 588740698 /nfs/dbraw/zinc/74/06/98/588740698.db2.gz UJDLLXSKAAJBTH-UHFFFAOYSA-N 0 0 237.734 3.879 20 30 BHEDRN CCC(CC)CN=Nc1ccnc(Cl)c1 ZINC000853394739 588740772 /nfs/dbraw/zinc/74/07/72/588740772.db2.gz XZQFENFFAALTTK-UHFFFAOYSA-N 0 0 225.723 3.569 20 30 BHEDRN C[C@@H]1CCCC(N=Nc2ccnc(Cl)c2)C1 ZINC000853394804 588740735 /nfs/dbraw/zinc/74/07/35/588740735.db2.gz ZRDMGJGWSHAUAM-SECBINFHSA-N 0 0 237.734 3.713 20 30 BHEDRN C[C@H]1CCCC(N=Nc2ccnc(Cl)c2)C1 ZINC000853394805 588740678 /nfs/dbraw/zinc/74/06/78/588740678.db2.gz ZRDMGJGWSHAUAM-VIFPVBQESA-N 0 0 237.734 3.713 20 30 BHEDRN CCC(N=Nc1ccnc(Cl)c1)C1CCC1 ZINC000853394836 588740687 /nfs/dbraw/zinc/74/06/87/588740687.db2.gz AEHFYBIGWWKWEI-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN Clc1cc(N=NC2CCC3(CC3)CC2)ccn1 ZINC000853394841 588740754 /nfs/dbraw/zinc/74/07/54/588740754.db2.gz AHYVNACAEAUCSU-UHFFFAOYSA-N 0 0 249.745 3.857 20 30 BHEDRN CC1(C)CCCC1N=Nc1ccnc(Cl)c1 ZINC000853394854 588740615 /nfs/dbraw/zinc/74/06/15/588740615.db2.gz AWSYPQGCIAUMFH-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN CC(C)(C)CCN=Nc1ccnc(Cl)c1 ZINC000853394888 588740774 /nfs/dbraw/zinc/74/07/74/588740774.db2.gz CDBRPVGSPUIXQZ-UHFFFAOYSA-N 0 0 225.723 3.569 20 30 BHEDRN C[C@@H]1CC[C@@H](CN=Nc2ccnc(Cl)c2)C1 ZINC000853394893 588740739 /nfs/dbraw/zinc/74/07/39/588740739.db2.gz CIAYNSASNCXXAK-NXEZZACHSA-N 0 0 237.734 3.569 20 30 BHEDRN C[C@H]1CC[C@H](CN=Nc2ccnc(Cl)c2)C1 ZINC000853394894 588740649 /nfs/dbraw/zinc/74/06/49/588740649.db2.gz CIAYNSASNCXXAK-UWVGGRQHSA-N 0 0 237.734 3.569 20 30 BHEDRN C[C@H]1CC[C@@H](CN=Nc2ccnc(Cl)c2)C1 ZINC000853394895 588740663 /nfs/dbraw/zinc/74/06/63/588740663.db2.gz CIAYNSASNCXXAK-VHSXEESVSA-N 0 0 237.734 3.569 20 30 BHEDRN C[C@@H]1CC[C@H](CN=Nc2ccnc(Cl)c2)C1 ZINC000853394896 588740714 /nfs/dbraw/zinc/74/07/14/588740714.db2.gz CIAYNSASNCXXAK-ZJUUUORDSA-N 0 0 237.734 3.569 20 30 BHEDRN CC(CCC1CC1)N=Nc1ccnc(Cl)c1 ZINC000853394913 588740614 /nfs/dbraw/zinc/74/06/14/588740614.db2.gz CUWWIDMUWKZSDD-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN C[C@H](CN=Nc1ccnc(Cl)c1)C(C)(C)C ZINC000853394948 588740712 /nfs/dbraw/zinc/74/07/12/588740712.db2.gz FMULXNXPPVUVKL-SECBINFHSA-N 0 0 239.750 3.815 20 30 BHEDRN C[C@@H](CN=Nc1ccnc(Cl)c1)C(C)(C)C ZINC000853394949 588740750 /nfs/dbraw/zinc/74/07/50/588740750.db2.gz FMULXNXPPVUVKL-VIFPVBQESA-N 0 0 239.750 3.815 20 30 BHEDRN C=CCCC(N=Nc1ccnc(Cl)c1)C1CC1 ZINC000853394961 588740679 /nfs/dbraw/zinc/74/06/79/588740679.db2.gz FWEHLSULXCTAKR-UHFFFAOYSA-N 0 0 249.745 3.879 20 30 BHEDRN CCC[C@@H](C)CN=Nc1ccnc(Cl)c1 ZINC000853394973 588740612 /nfs/dbraw/zinc/74/06/12/588740612.db2.gz GGOKTBUHNPSSEU-SECBINFHSA-N 0 0 225.723 3.569 20 30 BHEDRN CCC[C@H](C)CN=Nc1ccnc(Cl)c1 ZINC000853394974 588740695 /nfs/dbraw/zinc/74/06/95/588740695.db2.gz GGOKTBUHNPSSEU-VIFPVBQESA-N 0 0 225.723 3.569 20 30 BHEDRN CCCC(CC)N=Nc1ccnc(Cl)c1 ZINC000853395005 588740623 /nfs/dbraw/zinc/74/06/23/588740623.db2.gz HQNWBKKYRQJVGA-UHFFFAOYSA-N 0 0 225.723 3.713 20 30 BHEDRN CC(CC(C)(C)C)N=Nc1ccnc(Cl)c1 ZINC000853395010 588740730 /nfs/dbraw/zinc/74/07/30/588740730.db2.gz HTJXPXDDQVTQCL-UHFFFAOYSA-N 0 0 239.750 3.959 20 30 BHEDRN CC1(C)CCC(N=Nc2ccnc(Cl)c2)C1 ZINC000853395042 588740811 /nfs/dbraw/zinc/74/08/11/588740811.db2.gz JAMJBTXJYACZEV-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN C[C@]12C[C@H]1CCCC2N=Nc1ccnc(Cl)c1 ZINC000853395067 588740631 /nfs/dbraw/zinc/74/06/31/588740631.db2.gz JNRHZEGEKPMWGW-RNCFNFMXSA-N 0 0 249.745 3.713 20 30 BHEDRN C[C@@]12C[C@@H]1CCCC2N=Nc1ccnc(Cl)c1 ZINC000853395068 588740610 /nfs/dbraw/zinc/74/06/10/588740610.db2.gz JNRHZEGEKPMWGW-TVQRCGJNSA-N 0 0 249.745 3.713 20 30 BHEDRN Clc1cc(N=NC2CCC23CCCC3)ccn1 ZINC000853395094 588740713 /nfs/dbraw/zinc/74/07/13/588740713.db2.gz KNKIXGMHKRPBRH-UHFFFAOYSA-N 0 0 249.745 3.857 20 30 BHEDRN C#CCCCCCCN=Nc1ccnc(Cl)c1 ZINC000853395118 588740605 /nfs/dbraw/zinc/74/06/05/588740605.db2.gz LNELHKBEWGDTNE-UHFFFAOYSA-N 0 0 249.745 3.716 20 30 BHEDRN CC(C)[C@@H]1CCC1N=Nc1ccnc(Cl)c1 ZINC000853395177 588740699 /nfs/dbraw/zinc/74/06/99/588740699.db2.gz NVTVMSFPOWUFTJ-JTQLQIEISA-N 0 0 237.734 3.569 20 30 BHEDRN CC(C)[C@H]1CCC1N=Nc1ccnc(Cl)c1 ZINC000853395178 588740625 /nfs/dbraw/zinc/74/06/25/588740625.db2.gz NVTVMSFPOWUFTJ-SNVBAGLBSA-N 0 0 237.734 3.569 20 30 BHEDRN CCCCCCN=Nc1ccnc(Cl)c1 ZINC000853395188 588740812 /nfs/dbraw/zinc/74/08/12/588740812.db2.gz OHPPYBDKKMKXAO-UHFFFAOYSA-N 0 0 225.723 3.713 20 30 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ZINC000853438265 588742556 /nfs/dbraw/zinc/74/25/56/588742556.db2.gz UZKGECOIOJIRDE-UHFFFAOYSA-N 0 0 237.734 3.713 20 30 BHEDRN C[C@@H]1CCCC(N=Nc2ccc(Cl)cn2)C1 ZINC000853438349 588742565 /nfs/dbraw/zinc/74/25/65/588742565.db2.gz YDQYWBLVDHQCDX-SECBINFHSA-N 0 0 237.734 3.713 20 30 BHEDRN C[C@H]1CCCC(N=Nc2ccc(Cl)cn2)C1 ZINC000853438350 588742451 /nfs/dbraw/zinc/74/24/51/588742451.db2.gz YDQYWBLVDHQCDX-VIFPVBQESA-N 0 0 237.734 3.713 20 30 BHEDRN Clc1ccc(N=NC2CCCCCC2)nc1 ZINC000853438377 588742463 /nfs/dbraw/zinc/74/24/63/588742463.db2.gz YZDLPAFPDKJXFK-UHFFFAOYSA-N 0 0 237.734 3.857 20 30 BHEDRN CC(C)CCC(C)N=Nc1ccc(Cl)cn1 ZINC000853438391 588742593 /nfs/dbraw/zinc/74/25/93/588742593.db2.gz ZPZDDJPYDQLNDT-UHFFFAOYSA-N 0 0 239.750 3.959 20 30 BHEDRN Cc1ccc(N=NC(C)C2CCC2)cc1F ZINC000853438437 588742471 /nfs/dbraw/zinc/74/24/71/588742471.db2.gz BHMLZNAAWUWNSL-UHFFFAOYSA-N 0 0 220.291 3.722 20 30 BHEDRN Cc1ccc(N=NC2CCC23CCC3)cc1F ZINC000853438489 583054664 /nfs/dbraw/zinc/05/46/64/583054664.db2.gz DFUMTNVNPIZOPR-UHFFFAOYSA-N 0 0 232.302 3.866 20 30 BHEDRN CCC(CC)N=Nc1ccc(C)c(F)c1 ZINC000853438664 588742505 /nfs/dbraw/zinc/74/25/05/588742505.db2.gz JGVKWSONYQCHNK-UHFFFAOYSA-N 0 0 208.280 3.722 20 30 BHEDRN Cc1ccc(N=NC[C@@H]2CC=CCC2)cc1F ZINC000853438723 588742524 /nfs/dbraw/zinc/74/25/24/588742524.db2.gz LLBYTGBZQQAYGZ-GFCCVEGCSA-N 0 0 232.302 3.888 20 30 BHEDRN Cc1ccc(N=NC[C@H]2CC=CCC2)cc1F ZINC000853438724 588742547 /nfs/dbraw/zinc/74/25/47/588742547.db2.gz LLBYTGBZQQAYGZ-LBPRGKRZSA-N 0 0 232.302 3.888 20 30 BHEDRN Cc1ccc(N=NC2CC(C(F)F)C2)cc1F ZINC000853438775 588742511 /nfs/dbraw/zinc/74/25/11/588742511.db2.gz NDBPJWRQOLHCKV-UHFFFAOYSA-N 0 0 242.244 3.577 20 30 BHEDRN Cc1ccc(N=NC(C)CC2CC2)cc1F ZINC000853438951 588742570 /nfs/dbraw/zinc/74/25/70/588742570.db2.gz VLVFLLMGUDWZOT-UHFFFAOYSA-N 0 0 220.291 3.722 20 30 BHEDRN Cc1ccc(N=NC2CC3(CCC3)C2)cc1F ZINC000853439028 588742628 /nfs/dbraw/zinc/74/26/28/588742628.db2.gz YMLNWWCYEAPNSY-UHFFFAOYSA-N 0 0 232.302 3.866 20 30 BHEDRN Fc1ccc(C2CC(=NOCC3CCC3)C2)cc1 ZINC000853439122 588742677 /nfs/dbraw/zinc/74/26/77/588742677.db2.gz BOXWUFFXDXQOTF-UHFFFAOYSA-N 0 0 247.313 3.876 20 30 BHEDRN CC(=NOCC1CCC1)c1ccccc1C ZINC000853439185 588742794 /nfs/dbraw/zinc/74/27/94/588742794.db2.gz AMTUDKFDYLBKAG-UHFFFAOYSA-N 0 0 217.312 3.536 20 30 BHEDRN Fc1ccccc1C1CC(=NOCC2CCC2)C1 ZINC000853439291 588742766 /nfs/dbraw/zinc/74/27/66/588742766.db2.gz GVSINDWCHVCOND-UHFFFAOYSA-N 0 0 247.313 3.876 20 30 BHEDRN C(=NOCC1CCC1)[C@@H]1CCc2ccccc21 ZINC000853439294 588742780 /nfs/dbraw/zinc/74/27/80/588742780.db2.gz GWPMBRQQXLVPEM-AWEZNQCLSA-N 0 0 229.323 3.519 20 30 BHEDRN C(=NOCC1CCC1)[C@H]1CCc2ccccc21 ZINC000853439296 588742851 /nfs/dbraw/zinc/74/28/51/588742851.db2.gz GWPMBRQQXLVPEM-CQSZACIVSA-N 0 0 229.323 3.519 20 30 BHEDRN C[C@@H](C=NOCC1CCC1)Cc1ccccc1 ZINC000853439331 588742880 /nfs/dbraw/zinc/74/28/80/588742880.db2.gz IASGLKGXAHQOHK-CYBMUJFWSA-N 0 0 231.339 3.668 20 30 BHEDRN C[C@H](C=NOCC1CCC1)Cc1ccccc1 ZINC000853439332 588742816 /nfs/dbraw/zinc/74/28/16/588742816.db2.gz IASGLKGXAHQOHK-ZDUSSCGKSA-N 0 0 231.339 3.668 20 30 BHEDRN C[C@H](C=NOCC1CCC1)c1ccccc1 ZINC000853439354 588742785 /nfs/dbraw/zinc/74/27/85/588742785.db2.gz FAGWCIYTUQKNPE-GFCCVEGCSA-N 0 0 217.312 3.593 20 30 BHEDRN C[C@@H](C=NOCC1CCC1)c1ccccc1 ZINC000853439355 588742869 /nfs/dbraw/zinc/74/28/69/588742869.db2.gz FAGWCIYTUQKNPE-LBPRGKRZSA-N 0 0 217.312 3.593 20 30 BHEDRN CC(=NOCC1CCC1)c1sccc1C ZINC000853439388 633846436 /nfs/dbraw/zinc/84/64/36/633846436.db2.gz IIYBFNAPZAIWOP-UHFFFAOYSA-N 0 0 223.341 3.597 20 30 BHEDRN C(=NOCC1CCC1)[C@H]1C[C@H]1c1ccccc1 ZINC000853439443 588742828 /nfs/dbraw/zinc/74/28/28/588742828.db2.gz JNQYSSQWPIUVDG-CABCVRRESA-N 0 0 229.323 3.593 20 30 BHEDRN C(=NOCC1CCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000853439445 588742904 /nfs/dbraw/zinc/74/29/04/588742904.db2.gz JNQYSSQWPIUVDG-GJZGRUSLSA-N 0 0 229.323 3.593 20 30 BHEDRN C(=NOCC1CCC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000853439447 588742879 /nfs/dbraw/zinc/74/28/79/588742879.db2.gz JNQYSSQWPIUVDG-HUUCEWRRSA-N 0 0 229.323 3.593 20 30 BHEDRN C(=NOCC1CCC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000853439448 588742764 /nfs/dbraw/zinc/74/27/64/588742764.db2.gz JNQYSSQWPIUVDG-LSDHHAIUSA-N 0 0 229.323 3.593 20 30 BHEDRN CC(CCC(F)(F)F)=NOCC1CCC1 ZINC000853439777 588742870 /nfs/dbraw/zinc/74/28/70/588742870.db2.gz QDBONJDOKLVKQA-UHFFFAOYSA-N 0 0 223.238 3.522 20 30 BHEDRN Fc1cccc(C2CC(=NOCC3CCC3)C2)c1 ZINC000853439821 588742926 /nfs/dbraw/zinc/74/29/26/588742926.db2.gz RTHZSZHFRHQOJA-UHFFFAOYSA-N 0 0 247.313 3.876 20 30 BHEDRN C=CCCC(=NOCC1CCC1)C1CC1 ZINC000853439829 588742961 /nfs/dbraw/zinc/74/29/61/588742961.db2.gz SDLYTMWQXAIKGA-UHFFFAOYSA-N 0 0 207.317 3.535 20 30 BHEDRN C(CCCOc1ccccc1)=NOCC1CCC1 ZINC000853439851 588743067 /nfs/dbraw/zinc/74/30/67/588743067.db2.gz TUEISESUHNDGOC-UHFFFAOYSA-N 0 0 247.338 3.648 20 30 BHEDRN CC(CCc1ccc(O)cc1)=NOCC1CCC1 ZINC000853439875 633846566 /nfs/dbraw/zinc/84/65/66/633846566.db2.gz NTTATSJLFAUPCN-UHFFFAOYSA-N 0 0 247.338 3.517 20 30 BHEDRN Clc1ccc2c(c1)CC(=NOCC1CCC1)C2 ZINC000853440005 588742963 /nfs/dbraw/zinc/74/29/63/588742963.db2.gz VZZRMJRBWGIQPS-UHFFFAOYSA-N 0 0 249.741 3.611 20 30 BHEDRN FC(F)(F)C1CCC(=NOCC2CCC2)CC1 ZINC000853440038 588743133 /nfs/dbraw/zinc/74/31/33/588743133.db2.gz XCGMUCHZBBUIIM-UHFFFAOYSA-N 0 0 249.276 3.912 20 30 BHEDRN CC(CSC(C)(C)C)=NOCC1CCC1 ZINC000853440094 588743008 /nfs/dbraw/zinc/74/30/08/588743008.db2.gz SMVFTUBKYQRQNO-UHFFFAOYSA-N 0 0 229.389 3.711 20 30 BHEDRN CC(CCc1ccsc1)=NOCC1CCC1 ZINC000853440127 588743026 /nfs/dbraw/zinc/74/30/26/588743026.db2.gz ZXDFWXVTUXYEHA-UHFFFAOYSA-N 0 0 237.368 3.873 20 30 BHEDRN C(ON=C1CCCC12CCC2)C1CCC1 ZINC000853440294 588742093 /nfs/dbraw/zinc/74/20/93/588742093.db2.gz CBVJZIULACUSDP-UHFFFAOYSA-N 0 0 207.317 3.513 20 30 BHEDRN C(ON=C1CCC12CCCC2)C1CCC1 ZINC000853440326 583054574 /nfs/dbraw/zinc/05/45/74/583054574.db2.gz ABDDOOUKYIBFHM-UHFFFAOYSA-N 0 0 207.317 3.513 20 30 BHEDRN C(CSCc1ccccc1)=NOCC1CCC1 ZINC000853440349 633845629 /nfs/dbraw/zinc/84/56/29/633845629.db2.gz AHBORZUUWODTEM-UHFFFAOYSA-N 0 0 249.379 3.722 20 30 BHEDRN c1ccc([C@H]2CCCC2=NOCC2CCC2)nc1 ZINC000853440420 588742999 /nfs/dbraw/zinc/74/29/99/588742999.db2.gz CJRPRGGJRVMLNX-CYBMUJFWSA-N 0 0 244.338 3.522 20 30 BHEDRN c1ccc([C@@H]2CCCC2=NOCC2CCC2)nc1 ZINC000853440421 588743044 /nfs/dbraw/zinc/74/30/44/588743044.db2.gz CJRPRGGJRVMLNX-ZDUSSCGKSA-N 0 0 244.338 3.522 20 30 BHEDRN CSCC1CCC(=NOCC2CCC2)CC1 ZINC000853440466 588742942 /nfs/dbraw/zinc/74/29/42/588742942.db2.gz FQFSQCFHQACUIO-UHFFFAOYSA-N 0 0 241.400 3.712 20 30 BHEDRN C=CC[C@@H]1CCC(=NOCC2CCC2)C1 ZINC000853440523 588743156 /nfs/dbraw/zinc/74/31/56/588743156.db2.gz HFDGMAIIQQOSKA-LLVKDONJSA-N 0 0 207.317 3.535 20 30 BHEDRN C=CC[C@H]1CCC(=NOCC2CCC2)C1 ZINC000853440524 588743247 /nfs/dbraw/zinc/74/32/47/588743247.db2.gz HFDGMAIIQQOSKA-NSHDSACASA-N 0 0 207.317 3.535 20 30 BHEDRN FC(F)(F)[C@H]1CCCC(=NOCC2CCC2)C1 ZINC000853440759 588743291 /nfs/dbraw/zinc/74/32/91/588743291.db2.gz HQHGVQYICBWZAB-JTQLQIEISA-N 0 0 249.276 3.912 20 30 BHEDRN FC(F)(F)[C@@H]1CCCC(=NOCC2CCC2)C1 ZINC000853440760 588743333 /nfs/dbraw/zinc/74/33/33/588743333.db2.gz HQHGVQYICBWZAB-SNVBAGLBSA-N 0 0 249.276 3.912 20 30 BHEDRN CC(CCCC(F)(F)F)=NOCC1CCC1 ZINC000853440762 588743217 /nfs/dbraw/zinc/74/32/17/588743217.db2.gz HRKYIWXEIQQBEK-UHFFFAOYSA-N 0 0 237.265 3.912 20 30 BHEDRN C(ON=C1CCC2(CC2)CC1)C1CCC1 ZINC000853440764 588742216 /nfs/dbraw/zinc/74/22/16/588742216.db2.gz HWBBJELZJWWLFC-UHFFFAOYSA-N 0 0 207.317 3.513 20 30 BHEDRN CO[C@@H](C(C)=NOCC1CCC1)c1ccccc1 ZINC000853440822 633846906 /nfs/dbraw/zinc/84/69/06/633846906.db2.gz JOXDWNUTBVHGFO-HNNXBMFYSA-N 0 0 247.338 3.567 20 30 BHEDRN CO[C@H](C(C)=NOCC1CCC1)c1ccccc1 ZINC000853440823 633845914 /nfs/dbraw/zinc/84/59/14/633845914.db2.gz JOXDWNUTBVHGFO-OAHLLOKOSA-N 0 0 247.338 3.567 20 30 BHEDRN CC(=NOCC1CCC1)c1c(C)cc(C)cc1O ZINC000853440843 588743252 /nfs/dbraw/zinc/74/32/52/588743252.db2.gz KCNWPSHSXXSTEJ-UHFFFAOYSA-N 0 0 247.338 3.550 20 30 BHEDRN CC(C)(C=NOCC1CCC1)Oc1ccccc1 ZINC000853440859 588743306 /nfs/dbraw/zinc/74/33/06/588743306.db2.gz NDXMSQPEPXRPFB-UHFFFAOYSA-N 0 0 247.338 3.647 20 30 BHEDRN FC(F)C1CCC(=NOCC2CCC2)CC1 ZINC000853440964 633846354 /nfs/dbraw/zinc/84/63/54/633846354.db2.gz MBDWAXNJXNDWIF-UHFFFAOYSA-N 0 0 231.286 3.614 20 30 BHEDRN CC(C)(C#N)[C@@H]1CCCC1=NOCC1CCC1 ZINC000853441022 588743180 /nfs/dbraw/zinc/74/31/80/588743180.db2.gz NEIMMDVAKAIQIV-GFCCVEGCSA-N 0 0 234.343 3.509 20 30 BHEDRN CC(C)(C#N)[C@H]1CCCC1=NOCC1CCC1 ZINC000853441024 588743363 /nfs/dbraw/zinc/74/33/63/588743363.db2.gz NEIMMDVAKAIQIV-LBPRGKRZSA-N 0 0 234.343 3.509 20 30 BHEDRN c1ccc(C2CC(=NOCC3CCC3)C2)cc1 ZINC000853441101 588743272 /nfs/dbraw/zinc/74/32/72/588743272.db2.gz OLDIANXXWDULFC-UHFFFAOYSA-N 0 0 229.323 3.737 20 30 BHEDRN FC(F)c1ccc(C=NOCC2CCC2)cc1 ZINC000853441211 588743346 /nfs/dbraw/zinc/74/33/46/588743346.db2.gz QRDNEICHQHAQOV-UHFFFAOYSA-N 0 0 239.265 3.775 20 30 BHEDRN C[C@]1(C=NOCC2CCC2)C[C@@H]1c1ccccc1 ZINC000853441315 588743430 /nfs/dbraw/zinc/74/34/30/588743430.db2.gz VUFPAPSSSIHQKG-HZPDHXFCSA-N 0 0 243.350 3.983 20 30 BHEDRN CC(CCCc1cccnc1)=NOCC1CCC1 ZINC000853441381 588743399 /nfs/dbraw/zinc/74/33/99/588743399.db2.gz WNPLNZXIRKSDFV-UHFFFAOYSA-N 0 0 246.354 3.597 20 30 BHEDRN CC[C@H](C)CSc1nc(C#N)c(Cl)s1 ZINC000853441475 588743556 /nfs/dbraw/zinc/74/35/56/588743556.db2.gz YFZXKZTZZDRBIV-LURJTMIESA-N 0 0 246.788 3.806 20 30 BHEDRN CC[C@@H](C)CSc1nc(C#N)c(Cl)s1 ZINC000853441476 588743364 /nfs/dbraw/zinc/74/33/64/588743364.db2.gz YFZXKZTZZDRBIV-ZCFIWIBFSA-N 0 0 246.788 3.806 20 30 BHEDRN FCCC[C@H]1CCCC1=NOCC1CCC1 ZINC000853441625 588743460 /nfs/dbraw/zinc/74/34/60/588743460.db2.gz ZHZQHGZVJZPKKM-GFCCVEGCSA-N 0 0 227.323 3.709 20 30 BHEDRN FCCC[C@@H]1CCCC1=NOCC1CCC1 ZINC000853441626 588743369 /nfs/dbraw/zinc/74/33/69/588743369.db2.gz ZHZQHGZVJZPKKM-LBPRGKRZSA-N 0 0 227.323 3.709 20 30 BHEDRN CCCCCSc1nc(C#N)c(Cl)s1 ZINC000853469119 588744929 /nfs/dbraw/zinc/74/49/29/588744929.db2.gz FPPAGYZFWDDNIA-UHFFFAOYSA-N 0 0 246.788 3.950 20 30 BHEDRN CC(C)=CCSc1nc(C#N)c(Cl)s1 ZINC000853544788 588748280 /nfs/dbraw/zinc/74/82/80/588748280.db2.gz KCOFILDODNCZHP-UHFFFAOYSA-N 0 0 244.772 3.726 20 30 BHEDRN CC[C@@H](CON=Cc1cccs1)CC(F)F ZINC000853640404 588751656 /nfs/dbraw/zinc/75/16/56/588751656.db2.gz FHNXFAGHCNZZRX-SECBINFHSA-N 0 0 247.310 3.780 20 30 BHEDRN CC[C@H](CON=Cc1cccs1)CC(F)F ZINC000853640405 588751632 /nfs/dbraw/zinc/75/16/32/588751632.db2.gz FHNXFAGHCNZZRX-VIFPVBQESA-N 0 0 247.310 3.780 20 30 BHEDRN C=CCc1ccccc1OCc1oc(C)nc1C ZINC000853645384 588751929 /nfs/dbraw/zinc/75/19/29/588751929.db2.gz YZWYQLUOALIGHU-UHFFFAOYSA-N 0 0 243.306 3.599 20 30 BHEDRN CCCOc1cccc(CON=C2CCC2)c1 ZINC000853669202 588754074 /nfs/dbraw/zinc/75/40/74/588754074.db2.gz FBYPMHRXDPCYHR-UHFFFAOYSA-N 0 0 233.311 3.532 20 30 BHEDRN c1ccc2c(c1)CC[C@@H]2CCON=C1CCC1 ZINC000853669715 588754266 /nfs/dbraw/zinc/75/42/66/588754266.db2.gz NRVGUTUXXBKCLK-CYBMUJFWSA-N 0 0 229.323 3.663 20 30 BHEDRN c1ccc2c(c1)CC[C@H]2CCON=C1CCC1 ZINC000853669716 588754070 /nfs/dbraw/zinc/75/40/70/588754070.db2.gz NRVGUTUXXBKCLK-ZDUSSCGKSA-N 0 0 229.323 3.663 20 30 BHEDRN CC(C)c1cccc(CON=C2CCC2)c1 ZINC000853670445 588754290 /nfs/dbraw/zinc/75/42/90/588754290.db2.gz XHWIEOQZEBYGPQ-UHFFFAOYSA-N 0 0 217.312 3.867 20 30 BHEDRN N#CCOc1cccc(OCCCC2CCC2)c1 ZINC000853720812 645497459 /nfs/dbraw/zinc/49/74/59/645497459.db2.gz LOZIQZUOWLRPDM-UHFFFAOYSA-N 0 0 245.322 3.548 20 30 BHEDRN Fc1ccc2c(c1)[C@@H](ON=CC1CC1)CCC2 ZINC000853734414 588760307 /nfs/dbraw/zinc/76/03/07/588760307.db2.gz DEUVQLMFLLOJCL-AWEZNQCLSA-N 0 0 233.286 3.616 20 30 BHEDRN Fc1ccc2c(c1)[C@H](ON=CC1CC1)CCC2 ZINC000853734415 588760314 /nfs/dbraw/zinc/76/03/14/588760314.db2.gz DEUVQLMFLLOJCL-CQSZACIVSA-N 0 0 233.286 3.616 20 30 BHEDRN CCCc1ccc(CON=CC2CC2)cc1 ZINC000853734419 588760162 /nfs/dbraw/zinc/76/01/62/588760162.db2.gz DITCJVGNWFTHMV-UHFFFAOYSA-N 0 0 217.312 3.552 20 30 BHEDRN FC(F)(F)C1CCC(CON=CC2CC2)CC1 ZINC000853734554 588760263 /nfs/dbraw/zinc/76/02/63/588760263.db2.gz FNGWFJFCILFWAM-UHFFFAOYSA-N 0 0 249.276 3.768 20 30 BHEDRN Clc1ccc(/C=C/CON=CC2CC2)cc1 ZINC000853734612 588760179 /nfs/dbraw/zinc/76/01/79/588760179.db2.gz GSECXSGVPMECDR-GGWOPMTDSA-N 0 0 235.714 3.766 20 30 BHEDRN Clc1ccc(/C=C\CON=CC2CC2)cc1 ZINC000853734613 588760319 /nfs/dbraw/zinc/76/03/19/588760319.db2.gz GSECXSGVPMECDR-MCLUUKOMSA-N 0 0 235.714 3.766 20 30 BHEDRN Clc1ccc(CON=CC2CC2)cc1Cl ZINC000853734676 588760253 /nfs/dbraw/zinc/76/02/53/588760253.db2.gz HMGVNZOUHBANLC-UHFFFAOYSA-N 0 0 244.121 3.906 20 30 BHEDRN Clc1ccc(Cl)c(CON=CC2CC2)c1 ZINC000853734700 588760328 /nfs/dbraw/zinc/76/03/28/588760328.db2.gz HHFPDMBOCNHRFY-UHFFFAOYSA-N 0 0 244.121 3.906 20 30 BHEDRN Cc1cc(C)c(CON=CC2CC2)c(C)c1 ZINC000853734830 633893696 /nfs/dbraw/zinc/89/36/96/633893696.db2.gz JEWGNIUOSKKQMI-UHFFFAOYSA-N 0 0 217.312 3.524 20 30 BHEDRN C(=NOCc1ccc2ccccc2c1)C1CC1 ZINC000853734874 588760158 /nfs/dbraw/zinc/76/01/58/588760158.db2.gz JUVXWDHTPRYVDI-UHFFFAOYSA-N 0 0 225.291 3.752 20 30 BHEDRN C(=NOCCCSCc1ccccc1)C1CC1 ZINC000853734877 588760212 /nfs/dbraw/zinc/76/02/12/588760212.db2.gz KYDPYTLBLGEMBS-UHFFFAOYSA-N 0 0 249.379 3.722 20 30 BHEDRN Clc1cccc(CON=CC2CC2)c1Cl ZINC000853734910 588760150 /nfs/dbraw/zinc/76/01/50/588760150.db2.gz LMPOCNOLHFXIGS-UHFFFAOYSA-N 0 0 244.121 3.906 20 30 BHEDRN FC(F)c1ccc(CON=CC2CC2)cc1 ZINC000853735020 588760275 /nfs/dbraw/zinc/76/02/75/588760275.db2.gz NJFSQFAJSLGAAH-UHFFFAOYSA-N 0 0 225.238 3.537 20 30 BHEDRN FC(F)c1cccc(CON=CC2CC2)c1 ZINC000853735062 588760183 /nfs/dbraw/zinc/76/01/83/588760183.db2.gz NOLWMWBGIUVDKP-UHFFFAOYSA-N 0 0 225.238 3.537 20 30 BHEDRN C(=NOCCc1ccc2ccccc2c1)C1CC1 ZINC000853735143 588760163 /nfs/dbraw/zinc/76/01/63/588760163.db2.gz OYYVGKFFFLLDMD-UHFFFAOYSA-N 0 0 239.318 3.795 20 30 BHEDRN Clc1ccc(CCCON=CC2CC2)cc1 ZINC000853735320 588760520 /nfs/dbraw/zinc/76/05/20/588760520.db2.gz QVIQMNOAAULNML-UHFFFAOYSA-N 0 0 237.730 3.685 20 30 BHEDRN Cc1cc(Cl)ccc1CON=CC1CC1 ZINC000853735388 588760362 /nfs/dbraw/zinc/76/03/62/588760362.db2.gz TVGNGMDGQHVORO-UHFFFAOYSA-N 0 0 223.703 3.561 20 30 BHEDRN C[C@H](CCSc1ccccc1)ON=CC1CC1 ZINC000853735396 588760481 /nfs/dbraw/zinc/76/04/81/588760481.db2.gz UGOAFMITGANNPL-GFCCVEGCSA-N 0 0 249.379 3.970 20 30 BHEDRN C[C@@H](CCSc1ccccc1)ON=CC1CC1 ZINC000853735397 588760349 /nfs/dbraw/zinc/76/03/49/588760349.db2.gz UGOAFMITGANNPL-LBPRGKRZSA-N 0 0 249.379 3.970 20 30 BHEDRN C(=NOCc1cccc2ccccc21)C1CC1 ZINC000853735535 633891594 /nfs/dbraw/zinc/89/15/94/633891594.db2.gz WEQMOLDMFLEXLC-UHFFFAOYSA-N 0 0 225.291 3.752 20 30 BHEDRN Clc1ccccc1CCCON=CC1CC1 ZINC000853735573 588760526 /nfs/dbraw/zinc/76/05/26/588760526.db2.gz WXMUEXIKEZYGIV-UHFFFAOYSA-N 0 0 237.730 3.685 20 30 BHEDRN CC(C)c1cccc(CON=CC2CC2)c1 ZINC000853735842 588760454 /nfs/dbraw/zinc/76/04/54/588760454.db2.gz BMVHBGAZLFSAEM-UHFFFAOYSA-N 0 0 217.312 3.722 20 30 BHEDRN COc1ccc(C(C)C)cc1CON=CC1CC1 ZINC000853735882 588760466 /nfs/dbraw/zinc/76/04/66/588760466.db2.gz DAFGGDZPPOWFIV-UHFFFAOYSA-N 0 0 247.338 3.731 20 30 BHEDRN CCc1nc(C(C)C)ccc1CON=CC1CC1 ZINC000853735966 633892763 /nfs/dbraw/zinc/89/27/63/633892763.db2.gz GOVPBPIGZIBVJT-UHFFFAOYSA-N 0 0 246.354 3.680 20 30 BHEDRN FC(F)(F)c1ccccc1CON=CC1CC1 ZINC000853735976 588760419 /nfs/dbraw/zinc/76/04/19/588760419.db2.gz HFWNLFMMUJEEPG-UHFFFAOYSA-N 0 0 243.228 3.618 20 30 BHEDRN Clc1ccc(CON=CC2CC2)c(Cl)c1 ZINC000853736013 588760476 /nfs/dbraw/zinc/76/04/76/588760476.db2.gz ISOWLQSTQVKTKB-UHFFFAOYSA-N 0 0 244.121 3.906 20 30 BHEDRN CC[C@H](OCCON=CC1CC1)c1ccccc1 ZINC000853736016 588760382 /nfs/dbraw/zinc/76/03/82/588760382.db2.gz IWJWDHBKTGBTBX-HNNXBMFYSA-N 0 0 247.338 3.567 20 30 BHEDRN CC[C@@H](OCCON=CC1CC1)c1ccccc1 ZINC000853736017 588760429 /nfs/dbraw/zinc/76/04/29/588760429.db2.gz IWJWDHBKTGBTBX-OAHLLOKOSA-N 0 0 247.338 3.567 20 30 BHEDRN C(=NOCC/C=C/c1ccccc1)C1CC1 ZINC000853736023 633892622 /nfs/dbraw/zinc/89/26/22/633892622.db2.gz JDOMUEDTWRZGFO-HONKVLECSA-N 0 0 215.296 3.502 20 30 BHEDRN C(=NOCC/C=C\c1ccccc1)C1CC1 ZINC000853736024 633891607 /nfs/dbraw/zinc/89/16/07/633891607.db2.gz JDOMUEDTWRZGFO-XHZHXWMXSA-N 0 0 215.296 3.502 20 30 BHEDRN C(=NOCC[C@@H]1CCc2ccccc21)C1CC1 ZINC000853736066 588760406 /nfs/dbraw/zinc/76/04/06/588760406.db2.gz KNMQGBJDPKCQCW-AWEZNQCLSA-N 0 0 229.323 3.519 20 30 BHEDRN C(=NOCC[C@H]1CCc2ccccc21)C1CC1 ZINC000853736067 588760411 /nfs/dbraw/zinc/76/04/11/588760411.db2.gz KNMQGBJDPKCQCW-CQSZACIVSA-N 0 0 229.323 3.519 20 30 BHEDRN Cc1ccc(CON=CC2CC2)c(Cl)c1 ZINC000853736304 588760548 /nfs/dbraw/zinc/76/05/48/588760548.db2.gz VOUFKZLLELGIFQ-UHFFFAOYSA-N 0 0 223.703 3.561 20 30 BHEDRN Cc1cccc(Cl)c1CON=CC1CC1 ZINC000853736311 588760744 /nfs/dbraw/zinc/76/07/44/588760744.db2.gz VVRPHACCPZSUBU-UHFFFAOYSA-N 0 0 223.703 3.561 20 30 BHEDRN CC(C)O[C@@H](CON=CC1CC1)c1ccccc1 ZINC000853736318 588760612 /nfs/dbraw/zinc/76/06/12/588760612.db2.gz WGGWIOHISFYELQ-HNNXBMFYSA-N 0 0 247.338 3.565 20 30 BHEDRN CC(C)O[C@H](CON=CC1CC1)c1ccccc1 ZINC000853736319 588760577 /nfs/dbraw/zinc/76/05/77/588760577.db2.gz WGGWIOHISFYELQ-OAHLLOKOSA-N 0 0 247.338 3.565 20 30 BHEDRN FC(F)(F)c1cccc(CON=CC2CC2)c1 ZINC000853736488 588760676 /nfs/dbraw/zinc/76/06/76/588760676.db2.gz CWDAAWAXJAMZSS-UHFFFAOYSA-N 0 0 243.228 3.618 20 30 BHEDRN Clc1cccc(Cl)c1CON=CC1CC1 ZINC000853736624 583063889 /nfs/dbraw/zinc/06/38/89/583063889.db2.gz IJXPDPUHUFEVOS-UHFFFAOYSA-N 0 0 244.121 3.906 20 30 BHEDRN CCCCCCCCn1cc(C2CC2)nn1 ZINC000853738228 588760581 /nfs/dbraw/zinc/76/05/81/588760581.db2.gz RPEWAVCXTSYSMD-UHFFFAOYSA-N 0 0 221.348 3.516 20 30 BHEDRN C=CCCCSCCC1SCCS1 ZINC000853767354 588762159 /nfs/dbraw/zinc/76/21/59/588762159.db2.gz NPLUPXQSHXCZFO-UHFFFAOYSA-N 0 0 234.455 3.882 20 30 BHEDRN C#CCCCSC[C@@H](CC)CC(F)F ZINC000853770788 588762278 /nfs/dbraw/zinc/76/22/78/588762278.db2.gz PKILRDQHDLYFMV-JTQLQIEISA-N 0 0 220.328 3.814 20 30 BHEDRN C#CCCCSC[C@H](CC)CC(F)F ZINC000853770791 588762428 /nfs/dbraw/zinc/76/24/28/588762428.db2.gz PKILRDQHDLYFMV-SNVBAGLBSA-N 0 0 220.328 3.814 20 30 BHEDRN C#CCCCSC[C@H]1CCCCC1(F)F ZINC000853770875 588762300 /nfs/dbraw/zinc/76/23/00/588762300.db2.gz QOOIIRGZDXEAJG-LLVKDONJSA-N 0 0 232.339 3.959 20 30 BHEDRN C#CCCCSC[C@@H]1CCCCC1(F)F ZINC000853770881 588762272 /nfs/dbraw/zinc/76/22/72/588762272.db2.gz QOOIIRGZDXEAJG-NSHDSACASA-N 0 0 232.339 3.959 20 30 BHEDRN C=C(CC)CSCCC1SCCS1 ZINC000853771503 588762485 /nfs/dbraw/zinc/76/24/85/588762485.db2.gz ZWDINSYAMFNTJF-UHFFFAOYSA-N 0 0 234.455 3.882 20 30 BHEDRN CCCCCCSCC1(CC#N)CC1 ZINC000853772113 588762593 /nfs/dbraw/zinc/76/25/93/588762593.db2.gz IMNRIDBOKCPEBA-UHFFFAOYSA-N 0 0 211.374 3.994 20 30 BHEDRN N#CCC1(CSCCc2cccs2)CC1 ZINC000853772848 588762562 /nfs/dbraw/zinc/76/25/62/588762562.db2.gz YYXGCUAGSPKTBI-UHFFFAOYSA-N 0 0 237.393 3.718 20 30 BHEDRN C=CCCCCCSCCOC(F)F ZINC000853773117 588762680 /nfs/dbraw/zinc/76/26/80/588762680.db2.gz UUOGAXYRSQSTNF-UHFFFAOYSA-N 0 0 224.316 3.705 20 30 BHEDRN C=CCCCCCSCc1cnoc1C ZINC000853773300 588761689 /nfs/dbraw/zinc/76/16/89/588761689.db2.gz ZLUJNFQQAXCWDM-UHFFFAOYSA-N 0 0 225.357 3.963 20 30 BHEDRN C=C(C)CCSCCC1SCCS1 ZINC000853773602 588762764 /nfs/dbraw/zinc/76/27/64/588762764.db2.gz JIOJCSQIRSWLRH-UHFFFAOYSA-N 0 0 234.455 3.882 20 30 BHEDRN C=CCOCCSCc1ccsc1Cl ZINC000853773986 588762851 /nfs/dbraw/zinc/76/28/51/588762851.db2.gz GWJFQWHBGXUFLH-UHFFFAOYSA-N 0 0 248.800 3.837 20 30 BHEDRN C=CCOCCSC[C@@H](CC)CC(F)F ZINC000853774421 588762723 /nfs/dbraw/zinc/76/27/23/588762723.db2.gz KNJTXIYAWCDMPU-JTQLQIEISA-N 0 0 238.343 3.604 20 30 BHEDRN C=CCOCCSC[C@H](CC)CC(F)F ZINC000853774422 588761843 /nfs/dbraw/zinc/76/18/43/588761843.db2.gz KNJTXIYAWCDMPU-SNVBAGLBSA-N 0 0 238.343 3.604 20 30 BHEDRN CC(C)(C#N)CCSCC=C(Cl)Cl ZINC000853774565 588762738 /nfs/dbraw/zinc/76/27/38/588762738.db2.gz UKFCDXLEICXVAZ-UHFFFAOYSA-N 0 0 238.183 3.978 20 30 BHEDRN C=CCCCCSCc1cnoc1C ZINC000853775589 588762969 /nfs/dbraw/zinc/76/29/69/588762969.db2.gz XAKRSYVOIOWCFT-UHFFFAOYSA-N 0 0 211.330 3.573 20 30 BHEDRN N#CC1(CSCC=C(Cl)Cl)CCC1 ZINC000853777137 588762897 /nfs/dbraw/zinc/76/28/97/588762897.db2.gz ZXPAHODPLUCVBT-UHFFFAOYSA-N 0 0 236.167 3.732 20 30 BHEDRN C=C(Cl)CSCCOCc1ccccc1 ZINC000853777246 588762992 /nfs/dbraw/zinc/76/29/92/588762992.db2.gz QAPYBYQMPJERBP-UHFFFAOYSA-N 0 0 242.771 3.689 20 30 BHEDRN C=C(Cl)CSCCc1ccc(C#N)cc1 ZINC000853777991 588762894 /nfs/dbraw/zinc/76/28/94/588762894.db2.gz DIJNQUXHJFVJQI-UHFFFAOYSA-N 0 0 237.755 3.586 20 30 BHEDRN C=C(Cl)CSCc1cnn(C(C)(C)C)c1 ZINC000853778984 588762942 /nfs/dbraw/zinc/76/29/42/588762942.db2.gz PJYRCZQIBPMXTF-UHFFFAOYSA-N 0 0 244.791 3.624 20 30 BHEDRN N#CCCCCSCC=C(Cl)Cl ZINC000853782453 588763229 /nfs/dbraw/zinc/76/32/29/588763229.db2.gz BNERRLGILDGZDW-UHFFFAOYSA-N 0 0 224.156 3.732 20 30 BHEDRN C=C(Cl)CSCc1ncc(C(C)(C)C)o1 ZINC000853783107 588763170 /nfs/dbraw/zinc/76/31/70/588763170.db2.gz GTWMXONBPXIYLY-UHFFFAOYSA-N 0 0 245.775 3.958 20 30 BHEDRN C=C(Cl)CSCc1ncc(C(C)C)o1 ZINC000853783214 588763158 /nfs/dbraw/zinc/76/31/58/588763158.db2.gz IFDZYMKRLINLNC-UHFFFAOYSA-N 0 0 231.748 3.784 20 30 BHEDRN C=C(Cl)CSC/C(Cl)=C/Cl ZINC000853783533 588763227 /nfs/dbraw/zinc/76/32/27/588763227.db2.gz LLTFGRFUALJGGK-KXFIGUGUSA-N 0 0 217.548 3.791 20 30 BHEDRN C=C(Cl)CSC/C(Cl)=C\Cl ZINC000853783536 588763267 /nfs/dbraw/zinc/76/32/67/588763267.db2.gz LLTFGRFUALJGGK-QHHAFSJGSA-N 0 0 217.548 3.791 20 30 BHEDRN C=C(Cl)CSCc1cnc(Cl)s1 ZINC000853783565 588763256 /nfs/dbraw/zinc/76/32/56/588763256.db2.gz LXXJPQNUUKSUHS-UHFFFAOYSA-N 0 0 240.180 3.782 20 30 BHEDRN C=C(Cl)CSCc1ccc(CC#N)cc1 ZINC000853783575 588763110 /nfs/dbraw/zinc/76/31/10/588763110.db2.gz MECLBTVRBOAJLM-UHFFFAOYSA-N 0 0 237.755 3.738 20 30 BHEDRN C=C(Cl)CSCCSC(C)C ZINC000853783592 588763195 /nfs/dbraw/zinc/76/31/95/588763195.db2.gz MSILNGWLYNUFPS-UHFFFAOYSA-N 0 0 210.795 3.614 20 30 BHEDRN N#CCC1(CSCC=C(Cl)Cl)CC1 ZINC000853783722 588763232 /nfs/dbraw/zinc/76/32/32/588763232.db2.gz XLBMPZNMXMTIHB-UHFFFAOYSA-N 0 0 236.167 3.732 20 30 BHEDRN C=C(Cl)CSCCCC(C)(C)C#N ZINC000853783742 588763276 /nfs/dbraw/zinc/76/32/76/588763276.db2.gz QJCYTGJUIGGEBL-UHFFFAOYSA-N 0 0 217.765 3.802 20 30 BHEDRN C=C(Cl)CSCCC1SCCS1 ZINC000853783759 588763254 /nfs/dbraw/zinc/76/32/54/588763254.db2.gz QMQPWBLOJLFTJQ-UHFFFAOYSA-N 0 0 240.846 3.668 20 30 BHEDRN C=C(Cl)CSCCc1ncc(C)cc1C ZINC000853783997 588763225 /nfs/dbraw/zinc/76/32/25/588763225.db2.gz UNYSAGVHUQSMEL-UHFFFAOYSA-N 0 0 241.787 3.727 20 30 BHEDRN C=C(Cl)CSCc1cc(C2CC2)no1 ZINC000853784004 588763244 /nfs/dbraw/zinc/76/32/44/588763244.db2.gz UQXZRSMCMIBWMN-UHFFFAOYSA-N 0 0 229.732 3.538 20 30 BHEDRN C=C(Cl)CS[C@H](C)c1ncc(C)o1 ZINC000853784057 588763140 /nfs/dbraw/zinc/76/31/40/588763140.db2.gz WLSGOAPRIPKKAC-MRVPVSSYSA-N 0 0 217.721 3.530 20 30 BHEDRN C=C(Cl)CS[C@@H](C)c1ncc(C)o1 ZINC000853784058 588763204 /nfs/dbraw/zinc/76/32/04/588763204.db2.gz WLSGOAPRIPKKAC-QMMMGPOBSA-N 0 0 217.721 3.530 20 30 BHEDRN Cc1oncc1CSCCCC(C)(C)C#N ZINC000853788368 588763539 /nfs/dbraw/zinc/76/35/39/588763539.db2.gz WJXBZWJRUIMMHR-UHFFFAOYSA-N 0 0 238.356 3.546 20 30 BHEDRN CC[C@@H](C)CCNc1snc(Cl)c1C#N ZINC000853789719 588763621 /nfs/dbraw/zinc/76/36/21/588763621.db2.gz DPECCCUVLQVQEG-SSDOTTSWSA-N 0 0 243.763 3.516 20 30 BHEDRN CC[C@H](C)CCNc1snc(Cl)c1C#N ZINC000853789720 588763601 /nfs/dbraw/zinc/76/36/01/588763601.db2.gz DPECCCUVLQVQEG-ZETCQYMHSA-N 0 0 243.763 3.516 20 30 BHEDRN CCCCCCCSCC1(C)COC1 ZINC000853790794 588763618 /nfs/dbraw/zinc/76/36/18/588763618.db2.gz VDZHCCOZEGFSKS-UHFFFAOYSA-N 0 0 216.390 3.727 20 30 BHEDRN N#CCCCCSCCC1SCCS1 ZINC000853797021 588763752 /nfs/dbraw/zinc/76/37/52/588763752.db2.gz DBHHURYLCQIDJN-UHFFFAOYSA-N 0 0 247.454 3.610 20 30 BHEDRN N#Cc1c(N[C@@H]2C=CCC2)cccc1C(F)F ZINC000853800745 588764111 /nfs/dbraw/zinc/76/41/11/588764111.db2.gz YWBBUTGJMQZXBO-SECBINFHSA-N 0 0 234.249 3.626 20 30 BHEDRN N#Cc1c(N[C@H]2C=CCC2)cccc1C(F)F ZINC000853800748 588763969 /nfs/dbraw/zinc/76/39/69/588763969.db2.gz YWBBUTGJMQZXBO-VIFPVBQESA-N 0 0 234.249 3.626 20 30 BHEDRN C=CC[C@@H]1CCCN(c2ccnc(Cl)c2)C1 ZINC000853801670 588764297 /nfs/dbraw/zinc/76/42/97/588764297.db2.gz GMOKKOVJOIQOLT-LLVKDONJSA-N 0 0 236.746 3.528 20 30 BHEDRN C=CC[C@H]1CCCN(c2ccnc(Cl)c2)C1 ZINC000853801671 588764283 /nfs/dbraw/zinc/76/42/83/588764283.db2.gz GMOKKOVJOIQOLT-NSHDSACASA-N 0 0 236.746 3.528 20 30 BHEDRN C=CC[C@@H]1CCCN(c2cccc(Cl)n2)C1 ZINC000853801784 588764383 /nfs/dbraw/zinc/76/43/83/588764383.db2.gz JJMFYHVTYQAQBQ-LLVKDONJSA-N 0 0 236.746 3.528 20 30 BHEDRN C=CC[C@H]1CCCN(c2cccc(Cl)n2)C1 ZINC000853801785 588764423 /nfs/dbraw/zinc/76/44/23/588764423.db2.gz JJMFYHVTYQAQBQ-NSHDSACASA-N 0 0 236.746 3.528 20 30 BHEDRN N#CC1(CNc2cccc(Cl)n2)CCCCC1 ZINC000853876536 588766954 /nfs/dbraw/zinc/76/69/54/588766954.db2.gz IMJZUXLGHIHTJB-UHFFFAOYSA-N 0 0 249.745 3.621 20 30 BHEDRN N#CC1(CNc2ccnc(Cl)c2)CCCCC1 ZINC000853877389 588767000 /nfs/dbraw/zinc/76/70/00/588767000.db2.gz XIXBRXQHLIFQIO-UHFFFAOYSA-N 0 0 249.745 3.621 20 30 BHEDRN Fc1cccc(F)c1C=NOCc1ccccc1 ZINC000853913037 588768569 /nfs/dbraw/zinc/76/85/69/588768569.db2.gz BDRXGBSVRJUHRM-UHFFFAOYSA-N 0 0 247.244 3.516 20 30 BHEDRN CC(C)c1cccc(COC(=O)CCCC#N)c1 ZINC000853917825 588768952 /nfs/dbraw/zinc/76/89/52/588768952.db2.gz BCAXHCNGTZYCMB-UHFFFAOYSA-N 0 0 245.322 3.547 20 30 BHEDRN C=C1C[C@H]2CC[C@@H](C1)N2c1nc(C)ccc1Cl ZINC000853953045 588770204 /nfs/dbraw/zinc/77/02/04/588770204.db2.gz MYZYPKXXQYSFHC-TXEJJXNPSA-N 0 0 248.757 3.731 20 30 BHEDRN CCc1ccc(C=NOCc2ccccc2)cc1 ZINC000853971272 588770516 /nfs/dbraw/zinc/77/05/16/588770516.db2.gz UUUNKQSCVNBENQ-UHFFFAOYSA-N 0 0 239.318 3.800 20 30 BHEDRN C[C@H](CC#N)c1nc(C2CCCCCCC2)no1 ZINC000854037319 588772266 /nfs/dbraw/zinc/77/22/66/588772266.db2.gz NSNROCGNTBRZRW-LLVKDONJSA-N 0 0 247.342 3.915 20 30 BHEDRN C[C@@H](CC#N)c1nc(C2CCCCCCC2)no1 ZINC000854037320 588772506 /nfs/dbraw/zinc/77/25/06/588772506.db2.gz NSNROCGNTBRZRW-NSHDSACASA-N 0 0 247.342 3.915 20 30 BHEDRN C=C(C)CCc1noc(-c2ccc(CF)cc2)n1 ZINC000854058585 588772593 /nfs/dbraw/zinc/77/25/93/588772593.db2.gz RBFDHBAFMVTVPW-UHFFFAOYSA-N 0 0 246.285 3.715 20 30 BHEDRN CCCCCCCC[C@H](C)C(=O)N1CCCC1 ZINC000854123481 588775438 /nfs/dbraw/zinc/77/54/38/588775438.db2.gz CDPPDKUTFRDZGG-AWEZNQCLSA-N 0 0 239.403 3.996 20 30 BHEDRN CCCCCCCC[C@@H](C)C(=O)N1CCCC1 ZINC000854123482 588775325 /nfs/dbraw/zinc/77/53/25/588775325.db2.gz CDPPDKUTFRDZGG-CQSZACIVSA-N 0 0 239.403 3.996 20 30 BHEDRN CC(C)C#CC(=O)Nc1ccc(C(C)(C)C)cc1 ZINC000854130946 588775738 /nfs/dbraw/zinc/77/57/38/588775738.db2.gz CYKLSSZTGVEXFZ-UHFFFAOYSA-N 0 0 243.350 3.582 20 30 BHEDRN C=CCN(CC=C)C(=O)c1ccccc1C(C)C ZINC000854140071 588776574 /nfs/dbraw/zinc/77/65/74/588776574.db2.gz XNBLQEWPVVEMQQ-UHFFFAOYSA-N 0 0 243.350 3.624 20 30 BHEDRN CCCCCCCC[C@@H](C)C(=O)NCC ZINC000854143757 588776953 /nfs/dbraw/zinc/77/69/53/588776953.db2.gz DQZIVRMCVREKTO-GFCCVEGCSA-N 0 0 213.365 3.509 20 30 BHEDRN CCCCCCCC[C@H](C)C(=O)NCC ZINC000854143758 588776906 /nfs/dbraw/zinc/77/69/06/588776906.db2.gz DQZIVRMCVREKTO-LBPRGKRZSA-N 0 0 213.365 3.509 20 30 BHEDRN Cc1cc(-c2cccc(C3(C#N)CC3)c2)co1 ZINC000854199973 588778997 /nfs/dbraw/zinc/77/89/97/588778997.db2.gz KFXHOIXLELIXPF-UHFFFAOYSA-N 0 0 223.275 3.810 20 30 BHEDRN Cc1cc(-c2ccccc2C2(C#N)CC2)co1 ZINC000854200281 588778998 /nfs/dbraw/zinc/77/89/98/588778998.db2.gz NUKXQXMIDAMGFL-UHFFFAOYSA-N 0 0 223.275 3.810 20 30 BHEDRN CC1CCC(=NOCc2ccc(F)cc2)CC1 ZINC000854247716 588781987 /nfs/dbraw/zinc/78/19/87/588781987.db2.gz HBWPAXKPQKVIOC-UHFFFAOYSA-N 0 0 235.302 3.908 20 30 BHEDRN CC1CCC(=NOCc2ccccc2)CC1 ZINC000854248059 588781894 /nfs/dbraw/zinc/78/18/94/588781894.db2.gz MWJPXRZJKOKZGM-UHFFFAOYSA-N 0 0 217.312 3.769 20 30 BHEDRN CCCCCCCC[C@@H](C)C(=O)N1CCC1 ZINC000854295418 588782829 /nfs/dbraw/zinc/78/28/29/588782829.db2.gz DEGOVUWSKFBZIF-CYBMUJFWSA-N 0 0 225.376 3.605 20 30 BHEDRN CCCCCCCC[C@H](C)C(=O)N1CCC1 ZINC000854295419 588782707 /nfs/dbraw/zinc/78/27/07/588782707.db2.gz DEGOVUWSKFBZIF-ZDUSSCGKSA-N 0 0 225.376 3.605 20 30 BHEDRN CC(=NOCc1ccccc1)c1ccc(C)o1 ZINC000854314578 588783181 /nfs/dbraw/zinc/78/31/81/588783181.db2.gz KGENIACALCDAGK-UHFFFAOYSA-N 0 0 229.279 3.529 20 30 BHEDRN CC(=NOCc1ccc(F)cc1)c1ccc(C)o1 ZINC000854314994 588783276 /nfs/dbraw/zinc/78/32/76/588783276.db2.gz OKBYXYHVXASZFB-UHFFFAOYSA-N 0 0 247.269 3.668 20 30 BHEDRN C=CCCCCCCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000854452446 588787362 /nfs/dbraw/zinc/78/73/62/588787362.db2.gz XYVKZMJKBBDFHD-KFWWJZLASA-N 0 0 249.398 3.675 20 30 BHEDRN C=CCCCCCCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000854452450 588787314 /nfs/dbraw/zinc/78/73/14/588787314.db2.gz XYVKZMJKBBDFHD-RRFJBIMHSA-N 0 0 249.398 3.675 20 30 BHEDRN C=CCCCCCCCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000854499747 588789687 /nfs/dbraw/zinc/78/96/87/588789687.db2.gz KFSITIJDHAPMTD-FICVDOATSA-N 0 0 249.398 3.675 20 30 BHEDRN C=CCCCCCCCNC(=O)C1CC2(CC2)C1 ZINC000854499753 588789731 /nfs/dbraw/zinc/78/97/31/588789731.db2.gz KILPHYMIBOSHNA-UHFFFAOYSA-N 0 0 249.398 3.819 20 30 BHEDRN CC(C)C#CC(=O)Nc1cccc(C2CCC2)c1 ZINC000854570662 588794751 /nfs/dbraw/zinc/79/47/51/588794751.db2.gz AVAKRUWITGYTTO-UHFFFAOYSA-N 0 0 241.334 3.552 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@@](C)(F)CCCC ZINC000854646906 588799242 /nfs/dbraw/zinc/79/92/42/588799242.db2.gz JXVQMJCJGFCHQU-AWEZNQCLSA-N 0 0 243.366 3.623 20 30 BHEDRN C=CCC(C)(C)CNC(=O)[C@](C)(F)CCCC ZINC000854646907 588799150 /nfs/dbraw/zinc/79/91/50/588799150.db2.gz JXVQMJCJGFCHQU-CQSZACIVSA-N 0 0 243.366 3.623 20 30 BHEDRN Cc1cc(Cl)c(NC(=O)C#CC(C)C)cc1C ZINC000854744838 588805035 /nfs/dbraw/zinc/80/50/35/588805035.db2.gz DCTJUVFVMJGMLU-UHFFFAOYSA-N 0 0 249.741 3.555 20 30 BHEDRN C=C(C)CCNC(=O)c1ccccc1C(C)C ZINC000854816176 588812009 /nfs/dbraw/zinc/81/20/09/588812009.db2.gz PVDNDINYZJHIAF-UHFFFAOYSA-N 0 0 231.339 3.506 20 30 BHEDRN C=CC(C)(C)CNC(=O)c1ccccc1C(C)C 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C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(C)=C(C)C ZINC000855170081 588824967 /nfs/dbraw/zinc/82/49/67/588824967.db2.gz KKFALWIRFGJFEA-KGLIPLIRSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CC[C@H]1CCCC[C@H]1NC(=O)C(C)=C(C)C ZINC000855170082 588825066 /nfs/dbraw/zinc/82/50/66/588825066.db2.gz KKFALWIRFGJFEA-UONOGXRCSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(C)=C(C)C ZINC000855170083 588825115 /nfs/dbraw/zinc/82/51/15/588825115.db2.gz KKFALWIRFGJFEA-ZIAGYGMSSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1NC(=O)/C=C(\C)C1CC1 ZINC000855170092 588825064 /nfs/dbraw/zinc/82/50/64/588825064.db2.gz KMQPZOAJJJNSFC-BOXZDTQESA-N 0 0 247.382 3.594 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1NC(=O)/C=C(/C)C1CC1 ZINC000855170093 588824985 /nfs/dbraw/zinc/82/49/85/588824985.db2.gz KMQPZOAJJJNSFC-HRFGFKIASA-N 0 0 247.382 3.594 20 30 BHEDRN C=CC[C@@H]1CCCC[C@H]1NC(=O)/C=C(/C)C1CC1 ZINC000855170094 588825012 /nfs/dbraw/zinc/82/50/12/588825012.db2.gz KMQPZOAJJJNSFC-IWRDHYCXSA-N 0 0 247.382 3.594 20 30 BHEDRN C=CC[C@@H]1CCCC[C@H]1NC(=O)/C=C(\C)C1CC1 ZINC000855170095 588825008 /nfs/dbraw/zinc/82/50/08/588825008.db2.gz KMQPZOAJJJNSFC-KPWZGGAESA-N 0 0 247.382 3.594 20 30 BHEDRN C=CC[C@@H]1CCCC[C@H]1NC(=O)/C(C)=C/CC ZINC000855170104 588825052 /nfs/dbraw/zinc/82/50/52/588825052.db2.gz KOOZPMMWDBJQIQ-DXIMFJFMSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CC[C@@H]1CCCC[C@H]1NC(=O)/C(C)=C\CC ZINC000855170105 588825007 /nfs/dbraw/zinc/82/50/07/588825007.db2.gz KOOZPMMWDBJQIQ-GJQIVEAUSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1NC(=O)/C(C)=C/CC ZINC000855170106 588825152 /nfs/dbraw/zinc/82/51/52/588825152.db2.gz KOOZPMMWDBJQIQ-YJPQANQASA-N 0 0 235.371 3.594 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1NC(=O)/C(C)=C\CC ZINC000855170107 588825085 /nfs/dbraw/zinc/82/50/85/588825085.db2.gz KOOZPMMWDBJQIQ-YMOXITQKSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1NC(=O)/C=C(/C)CC ZINC000855171546 588825016 /nfs/dbraw/zinc/82/50/16/588825016.db2.gz CQIMURRCWCDZRU-GIQRUMHBSA-N 0 0 235.371 3.594 20 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BHEDRN C=CC[C@@H]1CCCC[C@@H]1NC(=O)/C(=C\C)CC ZINC000855171582 583097815 /nfs/dbraw/zinc/09/78/15/583097815.db2.gz CWIRISBMLWCQRF-YCYRZOEZSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CC[C@@H]1CCCC[C@@H]1NC(=O)C(C)=C1CCC1 ZINC000855172564 588825243 /nfs/dbraw/zinc/82/52/43/588825243.db2.gz MUDXKSIYNVYPIX-CABCVRRESA-N 0 0 247.382 3.738 20 30 BHEDRN C=CC[C@H]1CCCC[C@@H]1NC(=O)C(C)=C1CCC1 ZINC000855172565 588825236 /nfs/dbraw/zinc/82/52/36/588825236.db2.gz MUDXKSIYNVYPIX-GJZGRUSLSA-N 0 0 247.382 3.738 20 30 BHEDRN C=CC[C@@H]1CCCC[C@H]1NC(=O)C(C)=C1CCC1 ZINC000855172566 588825196 /nfs/dbraw/zinc/82/51/96/588825196.db2.gz MUDXKSIYNVYPIX-HUUCEWRRSA-N 0 0 247.382 3.738 20 30 BHEDRN C=CC[C@H]1CCCC[C@H]1NC(=O)C(C)=C1CCC1 ZINC000855172567 588825354 /nfs/dbraw/zinc/82/53/54/588825354.db2.gz MUDXKSIYNVYPIX-LSDHHAIUSA-N 0 0 247.382 3.738 20 30 BHEDRN C=CC[C@H]1CCCC[C@H]1NC(=O)C1CC(C)(C)C1 ZINC000855173703 588825262 /nfs/dbraw/zinc/82/52/62/588825262.db2.gz QJOMIFOQEXBXPC-GXTWGEPZSA-N 0 0 249.398 3.674 20 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C=CCCCC(=O)N1CCCC2(CCCC2)CC1 ZINC000855364293 588829556 /nfs/dbraw/zinc/82/95/56/588829556.db2.gz NXUMQFVZAGBUOR-UHFFFAOYSA-N 0 0 249.398 3.916 20 30 BHEDRN C#CCCCCCC(=O)N[C@H](C)C(C)(C)CC ZINC000855368272 588829658 /nfs/dbraw/zinc/82/96/58/588829658.db2.gz KVXIBYYXDUKZKM-CYBMUJFWSA-N 0 0 237.387 3.511 20 30 BHEDRN C#CCCCCCC(=O)N[C@@H](C)C(C)(C)CC ZINC000855368273 588829628 /nfs/dbraw/zinc/82/96/28/588829628.db2.gz KVXIBYYXDUKZKM-ZDUSSCGKSA-N 0 0 237.387 3.511 20 30 BHEDRN C=CCCNC(=O)c1ccc([C@H](C)CC)cc1 ZINC000855382499 588830078 /nfs/dbraw/zinc/83/00/78/588830078.db2.gz YTUFWTAXXMQTDZ-GFCCVEGCSA-N 0 0 231.339 3.506 20 30 BHEDRN C=CCCNC(=O)c1ccc([C@@H](C)CC)cc1 ZINC000855382501 588830091 /nfs/dbraw/zinc/83/00/91/588830091.db2.gz YTUFWTAXXMQTDZ-LBPRGKRZSA-N 0 0 231.339 3.506 20 30 BHEDRN C=CCCNC(=O)[C@H](CCCCC)C(C)C ZINC000855382579 588830104 /nfs/dbraw/zinc/83/01/04/588830104.db2.gz ZVICVRPFSOHNTD-CYBMUJFWSA-N 0 0 225.376 3.531 20 30 BHEDRN C=CCCNC(=O)[C@@H](CCCCC)C(C)C ZINC000855382581 588830111 /nfs/dbraw/zinc/83/01/11/588830111.db2.gz ZVICVRPFSOHNTD-ZDUSSCGKSA-N 0 0 225.376 3.531 20 30 BHEDRN C=CCCNC(=O)[C@@](C)(CC)CCCCC ZINC000855383567 588830358 /nfs/dbraw/zinc/83/03/58/588830358.db2.gz ZTFFIKUHZVDLQD-AWEZNQCLSA-N 0 0 225.376 3.675 20 30 BHEDRN C=CCCNC(=O)[C@](C)(CC)CCCCC ZINC000855383568 588830273 /nfs/dbraw/zinc/83/02/73/588830273.db2.gz ZTFFIKUHZVDLQD-CQSZACIVSA-N 0 0 225.376 3.675 20 30 BHEDRN CCCCCCCCC(=O)N[C@@H]1C=CCC1 ZINC000855422156 588832891 /nfs/dbraw/zinc/83/28/91/588832891.db2.gz PCPWQZZEAIMJKC-CYBMUJFWSA-N 0 0 223.360 3.572 20 30 BHEDRN CCCCCCCCC(=O)N[C@H]1C=CCC1 ZINC000855422157 588832852 /nfs/dbraw/zinc/83/28/52/588832852.db2.gz PCPWQZZEAIMJKC-ZDUSSCGKSA-N 0 0 223.360 3.572 20 30 BHEDRN C=CC[C@H]1CCCN(C(=O)/C(C)=C(/C)CC)C1 ZINC000855438263 588837006 /nfs/dbraw/zinc/83/70/06/588837006.db2.gz DKZSFVBDMGNNLT-DINCDJDBSA-N 0 0 235.371 3.548 20 30 BHEDRN C=CC[C@H]1CCCN(C(=O)/C(C)=C(\C)CC)C1 ZINC000855438264 588836939 /nfs/dbraw/zinc/83/69/39/588836939.db2.gz DKZSFVBDMGNNLT-FNDVETGQSA-N 0 0 235.371 3.548 20 30 BHEDRN C=CC[C@@H]1CCCN(C(=O)/C(C)=C(/C)CC)C1 ZINC000855438265 588837094 /nfs/dbraw/zinc/83/70/94/588837094.db2.gz DKZSFVBDMGNNLT-WUFNSSIPSA-N 0 0 235.371 3.548 20 30 BHEDRN C=CC[C@@H]1CCCN(C(=O)/C(C)=C(\C)CC)C1 ZINC000855438266 588837032 /nfs/dbraw/zinc/83/70/32/588837032.db2.gz DKZSFVBDMGNNLT-XTZCOPOCSA-N 0 0 235.371 3.548 20 30 BHEDRN C=CC[C@H]1CCCN(C(=O)C(C)=C2CCCC2)C1 ZINC000855438319 588836955 /nfs/dbraw/zinc/83/69/55/588836955.db2.gz FPCRQXHAVVRFTB-AWEZNQCLSA-N 0 0 247.382 3.692 20 30 BHEDRN C=CC[C@@H]1CCCN(C(=O)C(C)=C2CCCC2)C1 ZINC000855438320 588836960 /nfs/dbraw/zinc/83/69/60/588836960.db2.gz FPCRQXHAVVRFTB-CQSZACIVSA-N 0 0 247.382 3.692 20 30 BHEDRN C=CC[C@H]1CCCN(C(=O)CCCCCC)C1 ZINC000855440916 588837001 /nfs/dbraw/zinc/83/70/01/588837001.db2.gz QJMSQZMTKMAVOG-AWEZNQCLSA-N 0 0 237.387 3.772 20 30 BHEDRN C=CC[C@@H]1CCCN(C(=O)CCCCCC)C1 ZINC000855440917 588837083 /nfs/dbraw/zinc/83/70/83/588837083.db2.gz QJMSQZMTKMAVOG-CQSZACIVSA-N 0 0 237.387 3.772 20 30 BHEDRN C=CCCCC(=O)N1CC[C@H](C2CCCCC2)C1 ZINC000855637378 588842727 /nfs/dbraw/zinc/84/27/27/588842727.db2.gz ZHDMHQWZYVYMGK-HNNXBMFYSA-N 0 0 249.398 3.772 20 30 BHEDRN C=CCCCC(=O)N1CC[C@@H](C2CCCCC2)C1 ZINC000855637379 588842874 /nfs/dbraw/zinc/84/28/74/588842874.db2.gz ZHDMHQWZYVYMGK-OAHLLOKOSA-N 0 0 249.398 3.772 20 30 BHEDRN CCCCCCCC(=O)NCCC(C)(C)F ZINC000855746382 588846879 /nfs/dbraw/zinc/84/68/79/588846879.db2.gz AHWZCVXANWSGMG-UHFFFAOYSA-N 0 0 231.355 3.601 20 30 BHEDRN CCCCCCCC(=O)NC[C@@]1(C)CC1(F)F ZINC000855798061 588848740 /nfs/dbraw/zinc/84/87/40/588848740.db2.gz BRPULCCNIFARNL-GFCCVEGCSA-N 0 0 247.329 3.508 20 30 BHEDRN CCCCCCCC(=O)NC[C@]1(C)CC1(F)F ZINC000855798062 588848672 /nfs/dbraw/zinc/84/86/72/588848672.db2.gz BRPULCCNIFARNL-LBPRGKRZSA-N 0 0 247.329 3.508 20 30 BHEDRN C=CCCCC(=O)N1CCCC(CC)(CC)C1 ZINC000855822109 588849527 /nfs/dbraw/zinc/84/95/27/588849527.db2.gz ZNJODWCOYQMBJI-UHFFFAOYSA-N 0 0 237.387 3.772 20 30 BHEDRN CCCCCCCC(=O)N[C@H](CC)C1CC1 ZINC000855860186 588851844 /nfs/dbraw/zinc/85/18/44/588851844.db2.gz PAHBXGNBTYWDIX-CYBMUJFWSA-N 0 0 225.376 3.652 20 30 BHEDRN CCCCCCCC(=O)N[C@@H](CC)C1CC1 ZINC000855860187 588851801 /nfs/dbraw/zinc/85/18/01/588851801.db2.gz PAHBXGNBTYWDIX-ZDUSSCGKSA-N 0 0 225.376 3.652 20 30 BHEDRN C=CCCCC(=O)Nc1ccccc1NC(C)C ZINC000855862283 588851884 /nfs/dbraw/zinc/85/18/84/588851884.db2.gz RVSRXFWLEHUNJG-UHFFFAOYSA-N 0 0 246.354 3.802 20 30 BHEDRN C=CCC1(NC(=O)C=C(CC)CC)CCCC1 ZINC000855927144 588854111 /nfs/dbraw/zinc/85/41/11/588854111.db2.gz DLSWHIGWNINYNY-UHFFFAOYSA-N 0 0 235.371 3.738 20 30 BHEDRN C=CCC1(NC(=O)/C=C(\C)CCC)CCCC1 ZINC000855927222 588854378 /nfs/dbraw/zinc/85/43/78/588854378.db2.gz HBVZGDCFLYWBSC-OUKQBFOZSA-N 0 0 235.371 3.738 20 30 BHEDRN C=CCC1(NC(=O)/C=C(/C)CCC)CCCC1 ZINC000855927224 588854309 /nfs/dbraw/zinc/85/43/09/588854309.db2.gz HBVZGDCFLYWBSC-SEYXRHQNSA-N 0 0 235.371 3.738 20 30 BHEDRN C#CCCCCCC(=O)NC1(CC=C)CCCC1 ZINC000855927355 588854110 /nfs/dbraw/zinc/85/41/10/588854110.db2.gz JVSJKSFILYMOPT-UHFFFAOYSA-N 0 0 247.382 3.575 20 30 BHEDRN C=CCC1(NC(=O)/C=C\C(C)(C)C)CCCC1 ZINC000855927384 588854289 /nfs/dbraw/zinc/85/42/89/588854289.db2.gz LIOXXYPMNQMRBU-WQLSENKSSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCC1(NC(=O)/C=C/C(C)(C)C)CCCC1 ZINC000855927385 588854282 /nfs/dbraw/zinc/85/42/82/588854282.db2.gz LIOXXYPMNQMRBU-XYOKQWHBSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCC1(NC(=O)C(C)=C2CCCC2)CCCC1 ZINC000855927447 588854314 /nfs/dbraw/zinc/85/43/14/588854314.db2.gz OHJLFMXRFKTYIZ-UHFFFAOYSA-N 0 0 247.382 3.882 20 30 BHEDRN C=CCC1(NC(=O)/C(C)=C(\C)CC)CCCC1 ZINC000855927756 588854271 /nfs/dbraw/zinc/85/42/71/588854271.db2.gz YITDEDVLOTYADR-OUKQBFOZSA-N 0 0 235.371 3.738 20 30 BHEDRN C=CCC1(NC(=O)/C(C)=C(/C)CC)CCCC1 ZINC000855927757 588854398 /nfs/dbraw/zinc/85/43/98/588854398.db2.gz YITDEDVLOTYADR-SEYXRHQNSA-N 0 0 235.371 3.738 20 30 BHEDRN C#CCCCCCC(=O)N1C[C@H](CC)CC[C@H]1C ZINC000855932105 588854601 /nfs/dbraw/zinc/85/46/01/588854601.db2.gz LOXKKBUOHSUHOL-HUUCEWRRSA-N 0 0 249.398 3.607 20 30 BHEDRN CCCCCCCCC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000856059341 588858577 /nfs/dbraw/zinc/85/85/77/588858577.db2.gz QODYIEHUAHIGCH-KBPBESRZSA-N 0 0 237.387 3.605 20 30 BHEDRN CCCCCCCCC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000856059344 588858614 /nfs/dbraw/zinc/85/86/14/588858614.db2.gz QODYIEHUAHIGCH-ZIAGYGMSSA-N 0 0 237.387 3.605 20 30 BHEDRN CCCCCCCC(=O)NCC1=CCCC1 ZINC000856096195 588860172 /nfs/dbraw/zinc/86/01/72/588860172.db2.gz RYLZYUZUPADQSD-UHFFFAOYSA-N 0 0 223.360 3.573 20 30 BHEDRN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/C(=C\C)CC ZINC000856198073 588864481 /nfs/dbraw/zinc/86/44/81/588864481.db2.gz ADWKUNRVWQOEJK-HZYCUAEBSA-N 0 0 245.366 3.609 20 30 BHEDRN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C/C(=C/C)CC ZINC000856198074 588864550 /nfs/dbraw/zinc/86/45/50/588864550.db2.gz ADWKUNRVWQOEJK-QVALMOQUSA-N 0 0 245.366 3.609 20 30 BHEDRN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)=C1CCCC1 ZINC000856199136 588864480 /nfs/dbraw/zinc/86/44/80/588864480.db2.gz MKALLFKONKHOHY-GASCZTMLSA-N 0 0 245.366 3.587 20 30 BHEDRN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C/C(C)(C)C ZINC000856199346 588864491 /nfs/dbraw/zinc/86/44/91/588864491.db2.gz VMJFHYGIFBOBOZ-OXRLHVDVSA-N 0 0 247.382 3.688 20 30 BHEDRN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)/C(C)=C\C(C)(C)C ZINC000856199347 588864540 /nfs/dbraw/zinc/86/45/40/588864540.db2.gz VMJFHYGIFBOBOZ-RIMWYZOYSA-N 0 0 247.382 3.688 20 30 BHEDRN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)CCCCCC ZINC000856199764 588864462 /nfs/dbraw/zinc/86/44/62/588864462.db2.gz FOIGTEFCCOSTEH-OKILXGFUSA-N 0 0 235.371 3.666 20 30 BHEDRN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(\C)C(C)(C)C ZINC000856200221 588864691 /nfs/dbraw/zinc/86/46/91/588864691.db2.gz IXELHAJUQBVDPT-OXRLHVDVSA-N 0 0 247.382 3.688 20 30 BHEDRN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)/C=C(/C)C(C)(C)C ZINC000856200222 588864703 /nfs/dbraw/zinc/86/47/03/588864703.db2.gz IXELHAJUQBVDPT-RIMWYZOYSA-N 0 0 247.382 3.688 20 30 BHEDRN C=C1C[C@H]2CC[C@@H](C1)N2C(=O)C=C1CCCCC1 ZINC000856200441 588864679 /nfs/dbraw/zinc/86/46/79/588864679.db2.gz PWDWVQBXNZDNIR-GASCZTMLSA-N 0 0 245.366 3.587 20 30 BHEDRN C#CCCCCC(=O)NC[C@H](C)C1CCCCC1 ZINC000856227338 588865066 /nfs/dbraw/zinc/86/50/66/588865066.db2.gz SBXRPIWGINPZIT-AWEZNQCLSA-N 0 0 249.398 3.513 20 30 BHEDRN C#CCCCCC(=O)NC[C@@H](C)C1CCCCC1 ZINC000856227340 588864984 /nfs/dbraw/zinc/86/49/84/588864984.db2.gz SBXRPIWGINPZIT-CQSZACIVSA-N 0 0 249.398 3.513 20 30 BHEDRN C=CCCCC(=O)N1CCCC[C@H]1CC1CCC1 ZINC000856271693 588866192 /nfs/dbraw/zinc/86/61/92/588866192.db2.gz LCSCTEVQEGXMOE-HNNXBMFYSA-N 0 0 249.398 3.914 20 30 BHEDRN C=CCCCC(=O)N1CCCC[C@@H]1CC1CCC1 ZINC000856271694 588866233 /nfs/dbraw/zinc/86/62/33/588866233.db2.gz LCSCTEVQEGXMOE-OAHLLOKOSA-N 0 0 249.398 3.914 20 30 BHEDRN C=CCCCC(=O)N1[C@H](CC)CCC[C@@H]1C ZINC000856272932 588866447 /nfs/dbraw/zinc/86/64/47/588866447.db2.gz OOPKZAWCFAHTEF-QWHCGFSZSA-N 0 0 223.360 3.522 20 30 BHEDRN C#CCCCCCC(=O)N1[C@H](CC)CCC[C@@H]1C ZINC000856273045 588866311 /nfs/dbraw/zinc/86/63/11/588866311.db2.gz KFFBPSCYZJGMEE-LSDHHAIUSA-N 0 0 249.398 3.750 20 30 BHEDRN C#CCCCC(=O)N1CCCC[C@@H]1CCCCC ZINC000856273179 588866325 /nfs/dbraw/zinc/86/63/25/588866325.db2.gz WFQZVVDHBLONEH-HNNXBMFYSA-N 0 0 249.398 3.751 20 30 BHEDRN C#CCCCC(=O)N1CCCC[C@H]1CCCCC ZINC000856273180 588866350 /nfs/dbraw/zinc/86/63/50/588866350.db2.gz WFQZVVDHBLONEH-OAHLLOKOSA-N 0 0 249.398 3.751 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C1(F)CCCCC1 ZINC000856372709 588870594 /nfs/dbraw/zinc/87/05/94/588870594.db2.gz QVOQMQZSUQYARP-UHFFFAOYSA-N 0 0 241.350 3.520 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C=C(CC)CC ZINC000856373815 588870692 /nfs/dbraw/zinc/87/06/92/588870692.db2.gz AGCTZCURNVSCHA-UHFFFAOYSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H](C)c1ccc(C)o1 ZINC000856373864 588870734 /nfs/dbraw/zinc/87/07/34/588870734.db2.gz BZPOSZODQJPRDS-GFCCVEGCSA-N 0 0 249.354 3.553 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H](C)c1ccc(C)o1 ZINC000856373865 588870655 /nfs/dbraw/zinc/87/06/55/588870655.db2.gz BZPOSZODQJPRDS-LBPRGKRZSA-N 0 0 249.354 3.553 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C1/CC[C@H](C)C1 ZINC000856373885 588870647 /nfs/dbraw/zinc/87/06/47/588870647.db2.gz CVQKKNBYTLAKPV-KLDSGFLGSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C1/CC[C@@H](C)C1 ZINC000856373886 588870744 /nfs/dbraw/zinc/87/07/44/588870744.db2.gz CVQKKNBYTLAKPV-NPRUJURCSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C1\CC[C@H](C)C1 ZINC000856373887 588870676 /nfs/dbraw/zinc/87/06/76/588870676.db2.gz CVQKKNBYTLAKPV-OWRWYXLESA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C1\CC[C@@H](C)C1 ZINC000856373888 588870711 /nfs/dbraw/zinc/87/07/11/588870711.db2.gz CVQKKNBYTLAKPV-RVROTUBLSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C=C(C1CC1)C1CC1 ZINC000856373911 588870701 /nfs/dbraw/zinc/87/07/01/588870701.db2.gz DXRAUAWMADNIGO-UHFFFAOYSA-N 0 0 247.382 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)CCCCCC ZINC000856373928 588870563 /nfs/dbraw/zinc/87/05/63/588870563.db2.gz FOPJVXJXWSCVMB-UHFFFAOYSA-N 0 0 225.376 3.818 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@H](F)c1ccccc1 ZINC000856373982 588870891 /nfs/dbraw/zinc/87/08/91/588870891.db2.gz HSMIRSPTLZZJOD-CYBMUJFWSA-N 0 0 249.329 3.558 20 30 BHEDRN C=CCCC(C)(C)NC(=O)[C@@H](F)c1ccccc1 ZINC000856373983 588870801 /nfs/dbraw/zinc/87/08/01/588870801.db2.gz HSMIRSPTLZZJOD-ZDUSSCGKSA-N 0 0 249.329 3.558 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C(/C)CCC ZINC000856374061 588870855 /nfs/dbraw/zinc/87/08/55/588870855.db2.gz KSPIVGDJIHFWCX-QXMHVHEDSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C(\C)CCC ZINC000856374062 588870838 /nfs/dbraw/zinc/87/08/38/588870838.db2.gz KSPIVGDJIHFWCX-VAWYXSNFSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C(C)=C(/C)CC ZINC000856374092 588870892 /nfs/dbraw/zinc/87/08/92/588870892.db2.gz MNFDOGZKWUNMMD-QXMHVHEDSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C(C)=C(\C)CC ZINC000856374093 588870911 /nfs/dbraw/zinc/87/09/11/588870911.db2.gz MNFDOGZKWUNMMD-VAWYXSNFSA-N 0 0 223.360 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C(C)=C1CCCC1 ZINC000856374177 588870916 /nfs/dbraw/zinc/87/09/16/588870916.db2.gz QXIJCXMIAPBDSW-UHFFFAOYSA-N 0 0 235.371 3.738 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C(F)=C1CCCC1 ZINC000856374247 588870852 /nfs/dbraw/zinc/87/08/52/588870852.db2.gz UAPSOVRXQPTPTN-UHFFFAOYSA-N 0 0 239.334 3.645 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C/C(=C/C)CC ZINC000856374283 588870777 /nfs/dbraw/zinc/87/07/77/588870777.db2.gz VFNQWVMJMXJVBZ-DTICODAZSA-N 0 0 235.371 3.760 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C/C(=C\C)CC ZINC000856374284 588870963 /nfs/dbraw/zinc/87/09/63/588870963.db2.gz VFNQWVMJMXJVBZ-DZSAWWLQSA-N 0 0 235.371 3.760 20 30 BHEDRN C=CCCC(C)(C)NC(=O)C=C1CCCCC1 ZINC000856374293 588870924 /nfs/dbraw/zinc/87/09/24/588870924.db2.gz VQJMNRAVPSDPBB-UHFFFAOYSA-N 0 0 235.371 3.738 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C(C)=C\C(C)(C)C ZINC000856374304 588870776 /nfs/dbraw/zinc/87/07/76/588870776.db2.gz WGFGCBCPRWUPOB-QXMHVHEDSA-N 0 0 237.387 3.840 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C(C)=C/C(C)(C)C ZINC000856374305 588870967 /nfs/dbraw/zinc/87/09/67/588870967.db2.gz WGFGCBCPRWUPOB-VAWYXSNFSA-N 0 0 237.387 3.840 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C\C1CCCC1 ZINC000856374828 588870850 /nfs/dbraw/zinc/87/08/50/588870850.db2.gz IJUIYBWKUKKPIW-KHPPLWFESA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C/C1CCCC1 ZINC000856374829 588870939 /nfs/dbraw/zinc/87/09/39/588870939.db2.gz IJUIYBWKUKKPIW-ZHACJKMWSA-N 0 0 235.371 3.594 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C(C)=C\c1ccco1 ZINC000856374853 588870959 /nfs/dbraw/zinc/87/09/59/588870959.db2.gz IWFBYFQUKQDFHL-QXMHVHEDSA-N 0 0 247.338 3.544 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C(C)=C/c1ccco1 ZINC000856374854 588870784 /nfs/dbraw/zinc/87/07/84/588870784.db2.gz IWFBYFQUKQDFHL-VAWYXSNFSA-N 0 0 247.338 3.544 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C/c1cccs1 ZINC000856375090 588870879 /nfs/dbraw/zinc/87/08/79/588870879.db2.gz ONHWFMSDDBQIFZ-CMDGGOBGSA-N 0 0 249.379 3.622 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C\c1cccs1 ZINC000856375091 588870966 /nfs/dbraw/zinc/87/09/66/588870966.db2.gz ONHWFMSDDBQIFZ-HJWRWDBZSA-N 0 0 249.379 3.622 20 30 BHEDRN C=CCCC(C)(C)NC(=O)c1ccc(CF)cc1 ZINC000856375103 588870779 /nfs/dbraw/zinc/87/07/79/588870779.db2.gz OYENVTJBPYJZMU-UHFFFAOYSA-N 0 0 249.329 3.631 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C(/C)c1ccco1 ZINC000856375372 588870897 /nfs/dbraw/zinc/87/08/97/588870897.db2.gz VYGQKZXPQURLFJ-QXMHVHEDSA-N 0 0 247.338 3.544 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C(\C)c1ccco1 ZINC000856375373 588870808 /nfs/dbraw/zinc/87/08/08/588870808.db2.gz VYGQKZXPQURLFJ-VAWYXSNFSA-N 0 0 247.338 3.544 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C\c1ccsc1 ZINC000856375480 588870968 /nfs/dbraw/zinc/87/09/68/588870968.db2.gz YZICSIOYJFRBDM-SREVYHEPSA-N 0 0 249.379 3.622 20 30 BHEDRN C=CCCC(C)(C)NC(=O)/C=C/c1ccsc1 ZINC000856375481 583118782 /nfs/dbraw/zinc/11/87/82/583118782.db2.gz YZICSIOYJFRBDM-VOTSOKGWSA-N 0 0 249.379 3.622 20 30 BHEDRN CCCCCCCCC(=O)N1CC2CC1(C)C2 ZINC000856510501 588874262 /nfs/dbraw/zinc/87/42/62/588874262.db2.gz WYTAUDGRMIYAGP-UHFFFAOYSA-N 0 0 237.387 3.748 20 30 BHEDRN C=C(C)CN(CC)C(=O)/C=C(\C)c1cccs1 ZINC000856765340 588876214 /nfs/dbraw/zinc/87/62/14/588876214.db2.gz YEKSCJGXSRFVKM-FMIVXFBMSA-N 0 0 249.379 3.576 20 30 BHEDRN C=C(C)CN(CC)C(=O)/C=C(/C)c1cccs1 ZINC000856765345 588876358 /nfs/dbraw/zinc/87/63/58/588876358.db2.gz YEKSCJGXSRFVKM-XFXZXTDPSA-N 0 0 249.379 3.576 20 30 BHEDRN C=C(Cl)CN[C@H](C(F)F)C1CCCCC1 ZINC000856822502 588879218 /nfs/dbraw/zinc/87/92/18/588879218.db2.gz LQLHNNGTLYVPHK-JTQLQIEISA-N 0 0 237.721 3.543 20 30 BHEDRN C=C(Cl)CN[C@@H](C(F)F)C1CCCCC1 ZINC000856822507 588879181 /nfs/dbraw/zinc/87/91/81/588879181.db2.gz LQLHNNGTLYVPHK-SNVBAGLBSA-N 0 0 237.721 3.543 20 30 BHEDRN CCCC[C@@H](C(=O)OCCCCC#N)C(C)C ZINC000856977973 588881361 /nfs/dbraw/zinc/88/13/61/588881361.db2.gz YEGQFBIIWZOOFO-CYBMUJFWSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCC[C@H](C(=O)OCCCCC#N)C(C)C ZINC000856977974 588881380 /nfs/dbraw/zinc/88/13/80/588881380.db2.gz YEGQFBIIWZOOFO-ZDUSSCGKSA-N 0 0 239.359 3.686 20 30 BHEDRN CCCC[C@@H](C(=O)OCC(C)(C)C#N)C(C)C ZINC000857017716 588881905 /nfs/dbraw/zinc/88/19/05/588881905.db2.gz SIOVIKCJBHOSFE-GFCCVEGCSA-N 0 0 239.359 3.542 20 30 BHEDRN CCCC[C@H](C(=O)OCC(C)(C)C#N)C(C)C ZINC000857017717 588881896 /nfs/dbraw/zinc/88/18/96/588881896.db2.gz SIOVIKCJBHOSFE-LBPRGKRZSA-N 0 0 239.359 3.542 20 30 BHEDRN C=C(C)[C@@H](C)OC(=O)/C=C(/C)c1cccs1 ZINC000857018612 588882474 /nfs/dbraw/zinc/88/24/74/588882474.db2.gz IKOSRXZXHYQCJA-HIJJYWJESA-N 0 0 236.336 3.659 20 30 BHEDRN C=C(C)[C@H](C)OC(=O)/C=C(/C)c1cccs1 ZINC000857018614 588882485 /nfs/dbraw/zinc/88/24/85/588882485.db2.gz IKOSRXZXHYQCJA-IEHMKBBKSA-N 0 0 236.336 3.659 20 30 BHEDRN C=C(C)[C@@H](C)OC(=O)/C=C(\C)c1cccs1 ZINC000857018616 588882548 /nfs/dbraw/zinc/88/25/48/588882548.db2.gz IKOSRXZXHYQCJA-RJCSOLBVSA-N 0 0 236.336 3.659 20 30 BHEDRN C=C(C)[C@H](C)OC(=O)/C=C(\C)c1cccs1 ZINC000857018617 588882355 /nfs/dbraw/zinc/88/23/55/588882355.db2.gz IKOSRXZXHYQCJA-UQSGXBNBSA-N 0 0 236.336 3.659 20 30 BHEDRN CCCC[C@@H](C(=O)O[C@H](CC)CC#N)C(C)C ZINC000857022331 588882993 /nfs/dbraw/zinc/88/29/93/588882993.db2.gz MCKONVNVXWBJAS-CHWSQXEVSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCC[C@H](C(=O)O[C@H](CC)CC#N)C(C)C ZINC000857022332 588881828 /nfs/dbraw/zinc/88/18/28/588881828.db2.gz MCKONVNVXWBJAS-OLZOCXBDSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCC[C@@H](C(=O)O[C@@H](CC)CC#N)C(C)C ZINC000857022333 588881782 /nfs/dbraw/zinc/88/17/82/588881782.db2.gz MCKONVNVXWBJAS-QWHCGFSZSA-N 0 0 239.359 3.684 20 30 BHEDRN CCCC[C@H](C(=O)O[C@@H](CC)CC#N)C(C)C ZINC000857022334 588881749 /nfs/dbraw/zinc/88/17/49/588881749.db2.gz MCKONVNVXWBJAS-STQMWFEESA-N 0 0 239.359 3.684 20 30 BHEDRN CCCc1ccccc1OC(=O)CCCCC#N ZINC000857070406 588886163 /nfs/dbraw/zinc/88/61/63/588886163.db2.gz KUVBYUQRTCNLKK-UHFFFAOYSA-N 0 0 245.322 3.628 20 30 BHEDRN C=CCCCN(C)C(=O)/C=C(/C)c1cccs1 ZINC000857128544 588890546 /nfs/dbraw/zinc/89/05/46/588890546.db2.gz ABZPBQXOBJNZEO-QXMHVHEDSA-N 0 0 249.379 3.576 20 30 BHEDRN C=CCCCN(C)C(=O)/C=C(\C)c1cccs1 ZINC000857128545 588890341 /nfs/dbraw/zinc/89/03/41/588890341.db2.gz ABZPBQXOBJNZEO-VAWYXSNFSA-N 0 0 249.379 3.576 20 30 BHEDRN Cc1cc(C=NNc2ccc(C(C)C)cc2)on1 ZINC000857209703 588893246 /nfs/dbraw/zinc/89/32/46/588893246.db2.gz DPUAKWDKHBVKSN-UHFFFAOYSA-N 0 0 243.310 3.552 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)/C=C(\C)c1cccs1 ZINC000857209769 588893132 /nfs/dbraw/zinc/89/31/32/588893132.db2.gz OALDQQQCLFWJHO-HCRIHEDKSA-N 0 0 249.379 3.622 20 30 BHEDRN C=CC[C@H](CC)NC(=O)/C=C(\C)c1cccs1 ZINC000857209770 588893140 /nfs/dbraw/zinc/89/31/40/588893140.db2.gz OALDQQQCLFWJHO-IIANPFDCSA-N 0 0 249.379 3.622 20 30 BHEDRN C=CC[C@@H](CC)NC(=O)/C=C(/C)c1cccs1 ZINC000857209772 588893233 /nfs/dbraw/zinc/89/32/33/588893233.db2.gz OALDQQQCLFWJHO-NLYDNYMLSA-N 0 0 249.379 3.622 20 30 BHEDRN C=CC[C@H](CC)NC(=O)/C=C(/C)c1cccs1 ZINC000857209774 588893220 /nfs/dbraw/zinc/89/32/20/588893220.db2.gz OALDQQQCLFWJHO-WEHUKYGOSA-N 0 0 249.379 3.622 20 30 BHEDRN CC[C@@H](C)CCN=Nc1nc2cccnc2s1 ZINC000857217394 588894371 /nfs/dbraw/zinc/89/43/71/588894371.db2.gz ALQSPASLMKTXHC-SECBINFHSA-N 0 0 248.355 3.525 20 30 BHEDRN CC[C@H](C)CCN=Nc1nc2cccnc2s1 ZINC000857217395 588894450 /nfs/dbraw/zinc/89/44/50/588894450.db2.gz ALQSPASLMKTXHC-VIFPVBQESA-N 0 0 248.355 3.525 20 30 BHEDRN CC(C)CCCN=Nc1nc2cccnc2s1 ZINC000857218472 588894675 /nfs/dbraw/zinc/89/46/75/588894675.db2.gz QPVGLWJUTBLMBI-UHFFFAOYSA-N 0 0 248.355 3.525 20 30 BHEDRN CCC[C@@H](C)CN=Nc1nc2cccnc2s1 ZINC000857218539 588894851 /nfs/dbraw/zinc/89/48/51/588894851.db2.gz MSHQLWIPXZVGNF-SECBINFHSA-N 0 0 248.355 3.525 20 30 BHEDRN CCC[C@H](C)CN=Nc1nc2cccnc2s1 ZINC000857218541 583134660 /nfs/dbraw/zinc/13/46/60/583134660.db2.gz MSHQLWIPXZVGNF-VIFPVBQESA-N 0 0 248.355 3.525 20 30 BHEDRN CCCCCCN=Nc1nc2cccnc2s1 ZINC000857218607 588894930 /nfs/dbraw/zinc/89/49/30/588894930.db2.gz OCBJTQOXPYPEKI-UHFFFAOYSA-N 0 0 248.355 3.669 20 30 BHEDRN CCCC(CC)N=Nc1nc2cccnc2s1 ZINC000857218997 588894808 /nfs/dbraw/zinc/89/48/08/588894808.db2.gz UBUOIOPHKJRINQ-UHFFFAOYSA-N 0 0 248.355 3.669 20 30 BHEDRN CC(C)(C)CCN=Nc1nc2cccnc2s1 ZINC000857219011 588894738 /nfs/dbraw/zinc/89/47/38/588894738.db2.gz UEXWQSABMZPHMB-UHFFFAOYSA-N 0 0 248.355 3.525 20 30 BHEDRN CCCCC(C)N=Nc1nc2cccnc2s1 ZINC000857219285 588894744 /nfs/dbraw/zinc/89/47/44/588894744.db2.gz BTILDKQETIXYSC-UHFFFAOYSA-N 0 0 248.355 3.669 20 30 BHEDRN CC[C@@H](C)C(C)N=Nc1nc2cccnc2s1 ZINC000857219288 588894893 /nfs/dbraw/zinc/89/48/93/588894893.db2.gz BYUPUEWPRQZDPL-MRVPVSSYSA-N 0 0 248.355 3.525 20 30 BHEDRN CC[C@H](C)C(C)N=Nc1nc2cccnc2s1 ZINC000857219289 588894836 /nfs/dbraw/zinc/89/48/36/588894836.db2.gz BYUPUEWPRQZDPL-QMMMGPOBSA-N 0 0 248.355 3.525 20 30 BHEDRN CCC(N=Nc1nc2cccnc2s1)C(C)C ZINC000857219667 588895018 /nfs/dbraw/zinc/89/50/18/588895018.db2.gz MMXIWMIGNAXERX-UHFFFAOYSA-N 0 0 248.355 3.525 20 30 BHEDRN CCC(CC)CN=Nc1nc2cccnc2s1 ZINC000857220032 588894688 /nfs/dbraw/zinc/89/46/88/588894688.db2.gz YDDPGHWPYRJOCU-UHFFFAOYSA-N 0 0 248.355 3.525 20 30 BHEDRN Clc1oc2ccccc2c1CON=CC1CC1 ZINC000857244006 588900840 /nfs/dbraw/zinc/90/08/40/588900840.db2.gz CGGCRWFULBGSJU-UHFFFAOYSA-N 0 0 249.697 3.999 20 30 BHEDRN C=CCCCC(=O)Nc1nccc(C)c1C1CC1 ZINC000857311208 588905064 /nfs/dbraw/zinc/90/50/64/588905064.db2.gz FZZVIQDEXKBWHO-UHFFFAOYSA-N 0 0 244.338 3.562 20 30 BHEDRN CCCCCCCC(=O)Nc1cc(F)ccn1 ZINC000857312773 588905560 /nfs/dbraw/zinc/90/55/60/588905560.db2.gz BYHRYWHIULJEFK-UHFFFAOYSA-N 0 0 238.306 3.520 20 30 BHEDRN CCCCCCCC(=O)NCC[C@@H]1CC1(F)F ZINC000857349250 588906346 /nfs/dbraw/zinc/90/63/46/588906346.db2.gz CDULCLCMJDEIRU-LLVKDONJSA-N 0 0 247.329 3.508 20 30 BHEDRN CCCCCCCC(=O)NCC[C@H]1CC1(F)F ZINC000857349251 588906491 /nfs/dbraw/zinc/90/64/91/588906491.db2.gz 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3.582 20 30 BHEDRN C=CCCCCCCNC(=O)[C@@H]1CCCC12CC2 ZINC000861697834 589174901 /nfs/dbraw/zinc/17/49/01/589174901.db2.gz XMMLUYQBSCMRFH-AWEZNQCLSA-N 0 0 249.398 3.819 20 30 BHEDRN C=CCCCCCCNC(=O)[C@H]1CCCC12CC2 ZINC000861697835 589174853 /nfs/dbraw/zinc/17/48/53/589174853.db2.gz XMMLUYQBSCMRFH-CQSZACIVSA-N 0 0 249.398 3.819 20 30 BHEDRN C=CCCCCCCCCNC(=O)C12CC(C1)C2 ZINC000861729247 589175863 /nfs/dbraw/zinc/17/58/63/589175863.db2.gz VECGYQODBSENGX-UHFFFAOYSA-N 0 0 249.398 3.819 20 30 BHEDRN C=CCCCCCCCNC(=O)c1cocc1C ZINC000861753957 589176353 /nfs/dbraw/zinc/17/63/53/589176353.db2.gz AWSLJTNUNFECJA-UHFFFAOYSA-N 0 0 249.354 3.844 20 30 BHEDRN C#Cc1cccc(N[C@@H](C)C2CC(F)(F)C2)c1 ZINC000862328289 589201036 /nfs/dbraw/zinc/20/10/36/589201036.db2.gz YVSGLJIWBNWCKT-JTQLQIEISA-N 0 0 235.277 3.514 20 30 BHEDRN C#Cc1cccc(N[C@H](C)C2CC(F)(F)C2)c1 ZINC000862328290 589201412 /nfs/dbraw/zinc/20/14/12/589201412.db2.gz YVSGLJIWBNWCKT-SNVBAGLBSA-N 0 0 235.277 3.514 20 30 BHEDRN C=C(C)C(C)(C)C(=O)NCCCCCCC ZINC000862354622 589202505 /nfs/dbraw/zinc/20/25/05/589202505.db2.gz BZYLKYJMBHBTMF-UHFFFAOYSA-N 0 0 225.376 3.675 20 30 BHEDRN CCCCCCCNC(=O)C[C@@H]1CC[C@H]2C[C@H]21 ZINC000862354965 589202589 /nfs/dbraw/zinc/20/25/89/589202589.db2.gz BILMZUKGDMGIKE-MELADBBJSA-N 0 0 237.387 3.509 20 30 BHEDRN CCCCCCCNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000862354966 589202592 /nfs/dbraw/zinc/20/25/92/589202592.db2.gz BILMZUKGDMGIKE-RDBSUJKOSA-N 0 0 237.387 3.509 20 30 BHEDRN CCCCCCCNC(=O)c1sccc1F ZINC000862355008 589202570 /nfs/dbraw/zinc/20/25/70/589202570.db2.gz CNOVFPWLPGVKSM-UHFFFAOYSA-N 0 0 243.347 3.587 20 30 BHEDRN CCCCCCCNC(=O)C(C)(C)C(C)(F)F ZINC000862355024 589202597 /nfs/dbraw/zinc/20/25/97/589202597.db2.gz CVYLFTNPDKGKHO-UHFFFAOYSA-N 0 0 249.345 3.754 20 30 BHEDRN CCCCCCCNC(=O)[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000862355032 589202411 /nfs/dbraw/zinc/20/24/11/589202411.db2.gz CYKSNABSWKZSSX-AGGWBTHJSA-N 0 0 237.387 3.509 20 30 BHEDRN CCCCCCCNC(=O)C(C)(C)C1CC1 ZINC000862355293 589202372 /nfs/dbraw/zinc/20/23/72/589202372.db2.gz HTFKDEBHURYXLL-UHFFFAOYSA-N 0 0 225.376 3.509 20 30 BHEDRN CCCCCCCNC(=O)C1CC2(CCC2)C1 ZINC000862355373 589202400 /nfs/dbraw/zinc/20/24/00/589202400.db2.gz OUGGHJFPCMYLMP-UHFFFAOYSA-N 0 0 237.387 3.653 20 30 BHEDRN CCCCCCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000862355554 589202445 /nfs/dbraw/zinc/20/24/45/589202445.db2.gz QXOXNWTZIUUFFA-MGPQQGTHSA-N 0 0 237.387 3.509 20 30 BHEDRN CCCCCCCNC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000862355556 589202414 /nfs/dbraw/zinc/20/24/14/589202414.db2.gz QXOXNWTZIUUFFA-MJBXVCDLSA-N 0 0 237.387 3.509 20 30 BHEDRN CCCCCCCNC(=O)[C@H]1CCCC12CC2 ZINC000862355632 583961525 /nfs/dbraw/zinc/96/15/25/583961525.db2.gz SEQOURKLCWNOKD-CYBMUJFWSA-N 0 0 237.387 3.653 20 30 BHEDRN CCCCCCCNC(=O)[C@@H]1CCCC12CC2 ZINC000862355633 583961423 /nfs/dbraw/zinc/96/14/23/583961423.db2.gz SEQOURKLCWNOKD-ZDUSSCGKSA-N 0 0 237.387 3.653 20 30 BHEDRN CCCCCCCNC(=O)c1c(C)coc1C ZINC000862355692 589202467 /nfs/dbraw/zinc/20/24/67/589202467.db2.gz NGUNNDIGLYLJFM-UHFFFAOYSA-N 0 0 237.343 3.597 20 30 BHEDRN CCCCCCCNC(=O)C(C)=C1CCC1 ZINC000862355727 589202869 /nfs/dbraw/zinc/20/28/69/589202869.db2.gz OJFXZGGFESYTEB-UHFFFAOYSA-N 0 0 223.360 3.573 20 30 BHEDRN CCCCCCCNC(=O)CC1CC(F)(F)C1 ZINC000862355730 589202769 /nfs/dbraw/zinc/20/27/69/589202769.db2.gz OKPCOFZEIQBGEX-UHFFFAOYSA-N 0 0 247.329 3.508 20 30 BHEDRN CCCCCCCNC(=O)C(C)(C)CC(F)F ZINC000862355812 589202356 /nfs/dbraw/zinc/20/23/56/589202356.db2.gz SLEJOQCTLPOFSG-UHFFFAOYSA-N 0 0 249.345 3.754 20 30 BHEDRN CCCCCCCNC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000862355820 589202714 /nfs/dbraw/zinc/20/27/14/589202714.db2.gz SSXQTACDGKLJGZ-BFHYXJOUSA-N 0 0 237.387 3.509 20 30 BHEDRN CCCCCCCNC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000862355821 589202780 /nfs/dbraw/zinc/20/27/80/589202780.db2.gz SSXQTACDGKLJGZ-MCIONIFRSA-N 0 0 237.387 3.509 20 30 BHEDRN CCCCCCCNC(=O)c1[nH]ccc1C1CC1 ZINC000862355865 589202728 /nfs/dbraw/zinc/20/27/28/589202728.db2.gz UJZRGPDGJPLGML-UHFFFAOYSA-N 0 0 248.370 3.592 20 30 BHEDRN CCCCCCCNC(=O)[C@H](C)C1CCC1 ZINC000862355943 589202830 /nfs/dbraw/zinc/20/28/30/589202830.db2.gz QDNCBAIWFVKPJO-GFCCVEGCSA-N 0 0 225.376 3.509 20 30 BHEDRN CCCCCCCNC(=O)[C@@H](C)C1CCC1 ZINC000862355944 589202902 /nfs/dbraw/zinc/20/29/02/589202902.db2.gz QDNCBAIWFVKPJO-LBPRGKRZSA-N 0 0 225.376 3.509 20 30 BHEDRN CCCCCCCNC(=O)c1cc[nH]c1C1CC1 ZINC000862356020 583961536 /nfs/dbraw/zinc/96/15/36/583961536.db2.gz SJZRWSZIROUQQX-UHFFFAOYSA-N 0 0 248.370 3.592 20 30 BHEDRN CCCCCCCNC(=O)[C@H](CC)CC(F)F ZINC000862356409 589202947 /nfs/dbraw/zinc/20/29/47/589202947.db2.gz XDTKBIMHXNYZPD-LLVKDONJSA-N 0 0 249.345 3.754 20 30 BHEDRN CCCCCCCNC(=O)[C@@H](CC)CC(F)F ZINC000862356411 589202760 /nfs/dbraw/zinc/20/27/60/589202760.db2.gz XDTKBIMHXNYZPD-NSHDSACASA-N 0 0 249.345 3.754 20 30 BHEDRN C=CCC(C)(C)C(=O)NCCCCCCC ZINC000862356599 589202798 /nfs/dbraw/zinc/20/27/98/589202798.db2.gz YTUDABCSLYRSGV-UHFFFAOYSA-N 0 0 225.376 3.675 20 30 BHEDRN CCCCCCCNC(=O)c1ccoc1CC ZINC000862357001 589202818 /nfs/dbraw/zinc/20/28/18/589202818.db2.gz LXBGGHQJDVKZFR-UHFFFAOYSA-N 0 0 237.343 3.542 20 30 BHEDRN CCCCCCCNC(=O)c1ccoc1C1CC1 ZINC000862357117 589202779 /nfs/dbraw/zinc/20/27/79/589202779.db2.gz NHTWUGJFGRZBHO-UHFFFAOYSA-N 0 0 249.354 3.857 20 30 BHEDRN CCCCCCCNC(=O)c1ccoc1Cl ZINC000862357252 589202883 /nfs/dbraw/zinc/20/28/83/589202883.db2.gz REGSSRRXRNBKPW-UHFFFAOYSA-N 0 0 243.734 3.633 20 30 BHEDRN CCCCCCCNC(=O)[C@@H]1CCC(F)(F)C1 ZINC000862357549 589202827 /nfs/dbraw/zinc/20/28/27/589202827.db2.gz YCFDDNFBVXPYNN-LLVKDONJSA-N 0 0 247.329 3.508 20 30 BHEDRN CCCCCCCNC(=O)[C@H]1CCC(F)(F)C1 ZINC000862357550 589202716 /nfs/dbraw/zinc/20/27/16/589202716.db2.gz YCFDDNFBVXPYNN-NSHDSACASA-N 0 0 247.329 3.508 20 30 BHEDRN C=C/C(C)=C/CC(=O)NCCCCCCC ZINC000862357605 589203119 /nfs/dbraw/zinc/20/31/19/589203119.db2.gz ZSTYRICNOLILLV-JLHYYAGUSA-N 0 0 223.360 3.595 20 30 BHEDRN C=C/C(C)=C\CC(=O)NCCCCCCC ZINC000862357606 589203292 /nfs/dbraw/zinc/20/32/92/589203292.db2.gz ZSTYRICNOLILLV-RAXLEYEMSA-N 0 0 223.360 3.595 20 30 BHEDRN CCCCCCCNC(=O)C12CCC(CC1)C2 ZINC000862357794 589203159 /nfs/dbraw/zinc/20/31/59/589203159.db2.gz HDRLUYKKJIZYRY-UHFFFAOYSA-N 0 0 237.387 3.653 20 30 BHEDRN CCCCCCCNC(=O)CC[C@@H](C)SC ZINC000862357863 589203137 /nfs/dbraw/zinc/20/31/37/589203137.db2.gz KAHAIRPHZBZHLM-GFCCVEGCSA-N 0 0 245.432 3.605 20 30 BHEDRN CCCCCCCNC(=O)CC[C@H](C)SC ZINC000862357864 589203246 /nfs/dbraw/zinc/20/32/46/589203246.db2.gz KAHAIRPHZBZHLM-LBPRGKRZSA-N 0 0 245.432 3.605 20 30 BHEDRN C=C(C)C[C@@H](C)C(=O)NCCCCCCC ZINC000862358043 589203379 /nfs/dbraw/zinc/20/33/79/589203379.db2.gz RIKQNEJAHQWUCF-CYBMUJFWSA-N 0 0 225.376 3.675 20 30 BHEDRN C=C(C)C[C@H](C)C(=O)NCCCCCCC ZINC000862358044 589203186 /nfs/dbraw/zinc/20/31/86/589203186.db2.gz RIKQNEJAHQWUCF-ZDUSSCGKSA-N 0 0 225.376 3.675 20 30 BHEDRN CCCCCCCNC(=O)C(C1CC1)C1CC1 ZINC000862358092 589203138 /nfs/dbraw/zinc/20/31/38/589203138.db2.gz SYIKYEUBLRTHKF-UHFFFAOYSA-N 0 0 237.387 3.509 20 30 BHEDRN CCCCCCCNC(=O)c1oc(C)cc1C ZINC000862358311 589203108 /nfs/dbraw/zinc/20/31/08/589203108.db2.gz BRKQZLXZQALJJW-UHFFFAOYSA-N 0 0 237.343 3.597 20 30 BHEDRN CCCCCCCNC(=O)c1cc(C)oc1C ZINC000862359507 589203717 /nfs/dbraw/zinc/20/37/17/589203717.db2.gz NORCBDBQFXCZBL-UHFFFAOYSA-N 0 0 237.343 3.597 20 30 BHEDRN CCCCCCCNC(=O)C[C@@H](C)C1CC1 ZINC000862360218 589203657 /nfs/dbraw/zinc/20/36/57/589203657.db2.gz XWVTUVKNTPWGGY-GFCCVEGCSA-N 0 0 225.376 3.509 20 30 BHEDRN CCCCCCCNC(=O)C[C@H](C)C1CC1 ZINC000862360219 589203658 /nfs/dbraw/zinc/20/36/58/589203658.db2.gz XWVTUVKNTPWGGY-LBPRGKRZSA-N 0 0 225.376 3.509 20 30 BHEDRN CCCCCCCNC(=O)CCC(C)(F)F ZINC000862360635 589203691 /nfs/dbraw/zinc/20/36/91/589203691.db2.gz VPJNTMASDOMTQI-UHFFFAOYSA-N 0 0 235.318 3.508 20 30 BHEDRN C#CCCCCC(=O)NCC[C@@H]1CCCC1(C)C ZINC000862363052 589203929 /nfs/dbraw/zinc/20/39/29/589203929.db2.gz OYUVZFCYEUVVLD-AWEZNQCLSA-N 0 0 249.398 3.513 20 30 BHEDRN C#CCCCCC(=O)NCC[C@H]1CCCC1(C)C ZINC000862363053 589203879 /nfs/dbraw/zinc/20/38/79/589203879.db2.gz OYUVZFCYEUVVLD-CQSZACIVSA-N 0 0 249.398 3.513 20 30 BHEDRN C=CCCCCCCC[NH2+]Cc1cnc(C)o1 ZINC000862371863 589205301 /nfs/dbraw/zinc/20/53/01/589205301.db2.gz MSYPOQFMAKMGGN-UHFFFAOYSA-N 0 0 236.359 3.599 20 30 BHEDRN C=CC(C)(C)CCNC(=O)[C@@](C)(F)CCCC ZINC000862394560 589208390 /nfs/dbraw/zinc/20/83/90/589208390.db2.gz LBPPXTSBXRWTDT-AWEZNQCLSA-N 0 0 243.366 3.623 20 30 BHEDRN C=CC(C)(C)CCNC(=O)[C@](C)(F)CCCC ZINC000862394566 589208416 /nfs/dbraw/zinc/20/84/16/589208416.db2.gz LBPPXTSBXRWTDT-CQSZACIVSA-N 0 0 243.366 3.623 20 30 BHEDRN C=CC(C)(C)CCNC(=O)C(C)=C1CCCC1 ZINC000862396198 589206715 /nfs/dbraw/zinc/20/67/15/589206715.db2.gz IBJKXBLDNLQHHL-UHFFFAOYSA-N 0 0 235.371 3.595 20 30 BHEDRN C=CC(C)(C)CCNC(=O)C(F)=C1CCCC1 ZINC000862396376 589208874 /nfs/dbraw/zinc/20/88/74/589208874.db2.gz NNTNBTZYKLXIJJ-UHFFFAOYSA-N 0 0 239.334 3.503 20 30 BHEDRN C=CC(C)(C)CCNC(=O)/C=C/C(=C\C)CC ZINC000862396615 589208701 /nfs/dbraw/zinc/20/87/01/589208701.db2.gz UNWASKVLTLXHCL-FSFSYBIYSA-N 0 0 235.371 3.617 20 30 BHEDRN C=CC(C)(C)CCNC(=O)/C=C/C(=C/C)CC ZINC000862396616 589208640 /nfs/dbraw/zinc/20/86/40/589208640.db2.gz UNWASKVLTLXHCL-SLJQOXHMSA-N 0 0 235.371 3.617 20 30 BHEDRN C=CC(C)(C)CCNC(=O)C=C1CCCCC1 ZINC000862396957 589208978 /nfs/dbraw/zinc/20/89/78/589208978.db2.gz FXALACQDRVWPEZ-UHFFFAOYSA-N 0 0 235.371 3.595 20 30 BHEDRN C=CC(C)(C)CCNC(=O)CCCCCC ZINC000862397873 589209207 /nfs/dbraw/zinc/20/92/07/589209207.db2.gz ZOUYFTCYWLOVQU-UHFFFAOYSA-N 0 0 225.376 3.675 20 30 BHEDRN C=CCC[C@H](C)Nc1ccc2c(c1)COC(=O)N2 ZINC000862482574 589216842 /nfs/dbraw/zinc/21/68/42/589216842.db2.gz VRDRRQNIWVPNGY-JTQLQIEISA-N 0 0 246.310 3.515 20 30 BHEDRN C=CCC[C@@H](C)Nc1ccc2c(c1)COC(=O)N2 ZINC000862482576 589216898 /nfs/dbraw/zinc/21/68/98/589216898.db2.gz VRDRRQNIWVPNGY-SNVBAGLBSA-N 0 0 246.310 3.515 20 30 BHEDRN CC#CC(=O)Nc1cccc(C2CCCCC2)c1 ZINC000862485079 589217229 /nfs/dbraw/zinc/21/72/29/589217229.db2.gz HLSXBYCRDYUXLO-UHFFFAOYSA-N 0 0 241.334 3.696 20 30 BHEDRN CC[C@@H](C)c1cccc(NC(=O)C#CC2CC2)c1 ZINC000862485734 589217169 /nfs/dbraw/zinc/21/71/69/589217169.db2.gz DHCUKPLBTOHIGO-GFCCVEGCSA-N 0 0 241.334 3.552 20 30 BHEDRN CC[C@H](C)c1cccc(NC(=O)C#CC2CC2)c1 ZINC000862485738 589217033 /nfs/dbraw/zinc/21/70/33/589217033.db2.gz DHCUKPLBTOHIGO-LBPRGKRZSA-N 0 0 241.334 3.552 20 30 BHEDRN C=CC[C@H]1CCN(C(=O)CCCCCCC)C1 ZINC000862542478 589218886 /nfs/dbraw/zinc/21/88/86/589218886.db2.gz QGHURPXXJYZUJS-AWEZNQCLSA-N 0 0 237.387 3.772 20 30 BHEDRN C=CC[C@@H]1CCN(C(=O)CCCCCCC)C1 ZINC000862542479 589218733 /nfs/dbraw/zinc/21/87/33/589218733.db2.gz QGHURPXXJYZUJS-CQSZACIVSA-N 0 0 237.387 3.772 20 30 BHEDRN C=CC[C@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC000862544688 589219050 /nfs/dbraw/zinc/21/90/50/589219050.db2.gz SDBWDXCOOJRTIN-AWEZNQCLSA-N 0 0 249.398 3.772 20 30 BHEDRN C=CC[C@@H]1CCN(C(=O)C2CCCCCCC2)C1 ZINC000862544689 589219083 /nfs/dbraw/zinc/21/90/83/589219083.db2.gz SDBWDXCOOJRTIN-CQSZACIVSA-N 0 0 249.398 3.772 20 30 BHEDRN CCCCCCCCCC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000862551607 589220726 /nfs/dbraw/zinc/22/07/26/589220726.db2.gz SVGCXWGUOAECBU-OKILXGFUSA-N 0 0 237.387 3.605 20 30 BHEDRN C#CC[C@H]1CCN(C(=O)CCCCCCCC)C1 ZINC000862563153 589222648 /nfs/dbraw/zinc/22/26/48/589222648.db2.gz QEVRITPTPOAEEC-HNNXBMFYSA-N 0 0 249.398 3.609 20 30 BHEDRN C#CC[C@@H]1CCN(C(=O)CCCCCCCC)C1 ZINC000862563154 589222551 /nfs/dbraw/zinc/22/25/51/589222551.db2.gz QEVRITPTPOAEEC-OAHLLOKOSA-N 0 0 249.398 3.609 20 30 BHEDRN C#CCCCCC(=O)N1CC(C)(C)CCC1(C)C ZINC000862586531 589226382 /nfs/dbraw/zinc/22/63/82/589226382.db2.gz AMANZTMFXZYBHA-UHFFFAOYSA-N 0 0 249.398 3.607 20 30 BHEDRN C=CCCCC(=O)N1CC(C)(C)CCC1(C)C ZINC000862587694 589226442 /nfs/dbraw/zinc/22/64/42/589226442.db2.gz QEDYXSLWQUHUCN-UHFFFAOYSA-N 0 0 237.387 3.770 20 30 BHEDRN C=CCCCC(=O)Nc1ccc(C(=O)CC)cc1 ZINC000862773850 589240977 /nfs/dbraw/zinc/24/09/77/589240977.db2.gz PMNRYGKAGQLCQS-UHFFFAOYSA-N 0 0 245.322 3.574 20 30 BHEDRN CCCCCCCC(=O)N(C1CC1)C1CC1 ZINC000862852079 589243830 /nfs/dbraw/zinc/24/38/30/589243830.db2.gz DPKAXTMIGDAVCP-UHFFFAOYSA-N 0 0 223.360 3.500 20 30 BHEDRN CCCCCCCC(=O)NCC(F)(F)CC ZINC000862900914 589246612 /nfs/dbraw/zinc/24/66/12/589246612.db2.gz FHCDXXVPNRAAKJ-UHFFFAOYSA-N 0 0 235.318 3.508 20 30 BHEDRN C=CCCCC(=O)NCC(C)(C)C(F)(F)CC ZINC000862945066 589247743 /nfs/dbraw/zinc/24/77/43/589247743.db2.gz JIALNKFMVZEFBL-UHFFFAOYSA-N 0 0 247.329 3.530 20 30 BHEDRN CC#CCCCC(=O)NC1(C)CCC(C)(C)CC1 ZINC000862967096 589249308 /nfs/dbraw/zinc/24/93/08/589249308.db2.gz UGOPASSNVYQHFZ-UHFFFAOYSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCCC(=O)NC1(C)CCC(C)(C)CC1 ZINC000862967167 589249601 /nfs/dbraw/zinc/24/96/01/589249601.db2.gz WZTAPHBEWRBVGM-UHFFFAOYSA-N 0 0 249.398 3.655 20 30 BHEDRN C#CCCCCC(=O)Nc1ccc2occc2c1 ZINC000863008164 589251729 /nfs/dbraw/zinc/25/17/29/589251729.db2.gz JRDDOQSESDARRR-UHFFFAOYSA-N 0 0 241.290 3.565 20 30 BHEDRN C#CCCCC(C)N=Nc1ccc(Cl)cc1 ZINC000863064062 589253601 /nfs/dbraw/zinc/25/36/01/589253601.db2.gz DDLKQWCXLQYVLQ-UHFFFAOYSA-N 0 0 234.730 3.931 20 30 BHEDRN C#CCCCC(C)N=Nc1cccc(C)c1 ZINC000863064235 589253617 /nfs/dbraw/zinc/25/36/17/589253617.db2.gz FRSTWJXSKFOAFY-UHFFFAOYSA-N 0 0 214.312 3.586 20 30 BHEDRN C#CCCCC(C)N=Nc1ccc(F)cc1F ZINC000863064283 589253395 /nfs/dbraw/zinc/25/33/95/589253395.db2.gz GNGRESITJMKUHV-UHFFFAOYSA-N 0 0 236.265 3.556 20 30 BHEDRN CC(N=Nc1ccccc1)C1CC(F)(F)C1 ZINC000863064385 589253467 /nfs/dbraw/zinc/25/34/67/589253467.db2.gz IISOADJKTWOMHS-UHFFFAOYSA-N 0 0 224.254 3.520 20 30 BHEDRN C#CCCCC(C)N=Nc1ccc(C)cc1 ZINC000863064700 589253469 /nfs/dbraw/zinc/25/34/69/589253469.db2.gz OEASFIDUNYRIJB-UHFFFAOYSA-N 0 0 214.312 3.586 20 30 BHEDRN COCCCC1(CN=Nc2ccccc2)CCC1 ZINC000863064809 589253403 /nfs/dbraw/zinc/25/34/03/589253403.db2.gz SCNONXPBNBKFIV-UHFFFAOYSA-N 0 0 246.354 3.681 20 30 BHEDRN Clc1ccccc1N=NC[C@H]1CC12CC2 ZINC000863064867 589253296 /nfs/dbraw/zinc/25/32/96/589253296.db2.gz BGCKGKWITAFIEZ-SECBINFHSA-N 0 0 220.703 3.538 20 30 BHEDRN Clc1ccccc1N=NC[C@@H]1CC12CC2 ZINC000863064868 589253565 /nfs/dbraw/zinc/25/35/65/589253565.db2.gz BGCKGKWITAFIEZ-VIFPVBQESA-N 0 0 220.703 3.538 20 30 BHEDRN CC(F)(F)C(C)(C)CN=Nc1ccccc1 ZINC000863064997 589253311 /nfs/dbraw/zinc/25/33/11/589253311.db2.gz UXWLEHMLWBDYDY-UHFFFAOYSA-N 0 0 226.270 3.766 20 30 BHEDRN C#CCCCC(C)N=Nc1ccccc1Cl ZINC000863065069 589253584 /nfs/dbraw/zinc/25/35/84/589253584.db2.gz GTWALRKVQQLTKB-UHFFFAOYSA-N 0 0 234.730 3.931 20 30 BHEDRN CC(C)CCCCN=Nc1ccccc1 ZINC000863065142 589253460 /nfs/dbraw/zinc/25/34/60/589253460.db2.gz XFKSUFBCLPGZJZ-UHFFFAOYSA-N 0 0 204.317 3.911 20 30 BHEDRN Clc1ccc(N=NC[C@H]2CC23CC3)cc1 ZINC000863065146 589253459 /nfs/dbraw/zinc/25/34/59/589253459.db2.gz XHWJNSMOVLFECD-SECBINFHSA-N 0 0 220.703 3.538 20 30 BHEDRN Clc1ccc(N=NC[C@@H]2CC23CC3)cc1 ZINC000863065147 589253339 /nfs/dbraw/zinc/25/33/39/589253339.db2.gz XHWJNSMOVLFECD-VIFPVBQESA-N 0 0 220.703 3.538 20 30 BHEDRN CC(N=Nc1ccc(F)cc1)C1CC(F)(F)C1 ZINC000863065937 589253768 /nfs/dbraw/zinc/25/37/68/589253768.db2.gz ORCXEEXNJQZDLX-UHFFFAOYSA-N 0 0 242.244 3.659 20 30 BHEDRN C#CCCCC(C)N=Nc1cccc(Cl)c1 ZINC000863066058 589253957 /nfs/dbraw/zinc/25/39/57/589253957.db2.gz TVZJUMVQCZQHSN-UHFFFAOYSA-N 0 0 234.730 3.931 20 30 BHEDRN Cc1cc(C)cc(N=NC(C)[C@@H]2CCCCO2)c1 ZINC000863074449 589254245 /nfs/dbraw/zinc/25/42/45/589254245.db2.gz OUTZFQCOOOJZRN-HNNXBMFYSA-N 0 0 246.354 3.660 20 30 BHEDRN Cc1cc(C)cc(N=NC(C)[C@H]2CCCCO2)c1 ZINC000863074450 589254170 /nfs/dbraw/zinc/25/41/70/589254170.db2.gz OUTZFQCOOOJZRN-OAHLLOKOSA-N 0 0 246.354 3.660 20 30 BHEDRN Cc1ccc(C)c(N=NC(C)[C@@H]2CCCCO2)c1 ZINC000863074461 589254471 /nfs/dbraw/zinc/25/44/71/589254471.db2.gz PBDGSMCNYSAMRF-HNNXBMFYSA-N 0 0 246.354 3.660 20 30 BHEDRN Cc1ccc(C)c(N=NC(C)[C@H]2CCCCO2)c1 ZINC000863074462 589254403 /nfs/dbraw/zinc/25/44/03/589254403.db2.gz PBDGSMCNYSAMRF-OAHLLOKOSA-N 0 0 246.354 3.660 20 30 BHEDRN C#CCCCC(C)N=Nc1cc(C)ccc1C ZINC000863074855 589254457 /nfs/dbraw/zinc/25/44/57/589254457.db2.gz UKRVBYBZAGKIHJ-UHFFFAOYSA-N 0 0 228.339 3.895 20 30 BHEDRN CCON=C(C)c1ccc(F)cc1C(F)(F)F ZINC000863076494 589254377 /nfs/dbraw/zinc/25/43/77/589254377.db2.gz ANZYLKSEFSJBMX-UHFFFAOYSA-N 0 0 249.207 3.605 20 30 BHEDRN CC(F)(F)C(C)(C)C=NOCc1ccccc1 ZINC000863076496 589254373 /nfs/dbraw/zinc/25/43/73/589254373.db2.gz APNJKXFSHRHHCA-UHFFFAOYSA-N 0 0 241.281 3.870 20 30 BHEDRN CC(N=Nc1ccccc1F)C1CC(F)(F)C1 ZINC000863076574 589254156 /nfs/dbraw/zinc/25/41/56/589254156.db2.gz DDNSJFGPIQEHRQ-UHFFFAOYSA-N 0 0 242.244 3.659 20 30 BHEDRN CC(=NOCc1ccccc1)C1CC(F)(F)C1 ZINC000863077137 589254578 /nfs/dbraw/zinc/25/45/78/589254578.db2.gz LCAGTHRFOMOXFP-UHFFFAOYSA-N 0 0 239.265 3.624 20 30 BHEDRN CCc1ccccc1N=NC(C)[C@@H]1CCCCO1 ZINC000863078477 589254721 /nfs/dbraw/zinc/25/47/21/589254721.db2.gz FCKLXAJQNKWADJ-HNNXBMFYSA-N 0 0 246.354 3.606 20 30 BHEDRN CCc1ccccc1N=NC(C)[C@H]1CCCCO1 ZINC000863078478 589254670 /nfs/dbraw/zinc/25/46/70/589254670.db2.gz FCKLXAJQNKWADJ-OAHLLOKOSA-N 0 0 246.354 3.606 20 30 BHEDRN Cc1c(Cl)cccc1N=NC[C@@H]1CC12CC2 ZINC000863079011 589254607 /nfs/dbraw/zinc/25/46/07/589254607.db2.gz QSNXQXCVEROHLG-JTQLQIEISA-N 0 0 234.730 3.846 20 30 BHEDRN Cc1c(Cl)cccc1N=NC[C@H]1CC12CC2 ZINC000863079012 589254605 /nfs/dbraw/zinc/25/46/05/589254605.db2.gz QSNXQXCVEROHLG-SNVBAGLBSA-N 0 0 234.730 3.846 20 30 BHEDRN CCC[C@@H](C)CCCC(C)N=Nc1ncccn1 ZINC000863079167 589254719 /nfs/dbraw/zinc/25/47/19/589254719.db2.gz HTIPVRBWGJXLBK-GFCCVEGCSA-N 0 0 248.374 3.871 20 30 BHEDRN CCC[C@H](C)CCCC(C)N=Nc1ncccn1 ZINC000863079174 589254823 /nfs/dbraw/zinc/25/48/23/589254823.db2.gz HTIPVRBWGJXLBK-LBPRGKRZSA-N 0 0 248.374 3.871 20 30 BHEDRN CCC[C@@H](C)CCCC(C)N=Nc1cnccn1 ZINC000863079315 589254699 /nfs/dbraw/zinc/25/46/99/589254699.db2.gz JVKRJFOCEDAHGN-GFCCVEGCSA-N 0 0 248.374 3.871 20 30 BHEDRN CCC[C@H](C)CCCC(C)N=Nc1cnccn1 ZINC000863079316 589254764 /nfs/dbraw/zinc/25/47/64/589254764.db2.gz JVKRJFOCEDAHGN-LBPRGKRZSA-N 0 0 248.374 3.871 20 30 BHEDRN CCCC(=NOC)c1cc(C)sc1C ZINC000863079587 589254942 /nfs/dbraw/zinc/25/49/42/589254942.db2.gz SGSLGIPKGHBHST-UHFFFAOYSA-N 0 0 211.330 3.516 20 30 BHEDRN C#CCCCC(C)N=Nc1cc(F)cc(F)c1 ZINC000863082031 589255280 /nfs/dbraw/zinc/25/52/80/589255280.db2.gz DRUDIVCEKTYKJW-UHFFFAOYSA-N 0 0 236.265 3.556 20 30 BHEDRN C#CCCCC(C)=NN[C@@H](C)c1ccccc1 ZINC000863082380 589255286 /nfs/dbraw/zinc/25/52/86/589255286.db2.gz KBEHXNOPGSGYSB-AWEZNQCLSA-N 0 0 228.339 3.517 20 30 BHEDRN C#CCCCC(C)=NN[C@H](C)c1ccccc1 ZINC000863082382 589255339 /nfs/dbraw/zinc/25/53/39/589255339.db2.gz KBEHXNOPGSGYSB-CQSZACIVSA-N 0 0 228.339 3.517 20 30 BHEDRN CC(N=Nc1cccc(F)c1)C1CC(F)(F)C1 ZINC000863082647 589255226 /nfs/dbraw/zinc/25/52/26/589255226.db2.gz PADWLADIASWFEC-UHFFFAOYSA-N 0 0 242.244 3.659 20 30 BHEDRN Cc1ccc(N=NCCCCC(C)C)nc1 ZINC000863088867 589255181 /nfs/dbraw/zinc/25/51/81/589255181.db2.gz CDVQBDGZYZOQRK-UHFFFAOYSA-N 0 0 219.332 3.614 20 30 BHEDRN Cc1ccc([C@H](C)C=NNC2CCCC2)cc1 ZINC000863090010 636664034 /nfs/dbraw/zinc/66/40/34/636664034.db2.gz SIITZHRBMRJGOW-CYBMUJFWSA-N 0 0 230.355 3.617 20 30 BHEDRN Cc1ccc([C@@H](C)C=NNC2CCCC2)cc1 ZINC000863090011 636663159 /nfs/dbraw/zinc/66/31/59/636663159.db2.gz SIITZHRBMRJGOW-ZDUSSCGKSA-N 0 0 230.355 3.617 20 30 BHEDRN C#CCCCC(C)N=Nc1c(F)cccc1F ZINC000863093782 589255005 /nfs/dbraw/zinc/25/50/05/589255005.db2.gz AYUQPWCWEXAUBP-UHFFFAOYSA-N 0 0 236.265 3.556 20 30 BHEDRN CCC[C@@H](C)CCCC(C)N=Nc1cccnn1 ZINC000863095804 583974363 /nfs/dbraw/zinc/97/43/63/583974363.db2.gz MTOLOJXWIFKVFT-GFCCVEGCSA-N 0 0 248.374 3.871 20 30 BHEDRN CCC[C@H](C)CCCC(C)N=Nc1cccnn1 ZINC000863095805 583974370 /nfs/dbraw/zinc/97/43/70/583974370.db2.gz MTOLOJXWIFKVFT-LBPRGKRZSA-N 0 0 248.374 3.871 20 30 BHEDRN C#CCCCC(C)N=Nc1cccc(F)c1F ZINC000863096674 589255589 /nfs/dbraw/zinc/25/55/89/589255589.db2.gz RHSCTRRWBQNEDK-UHFFFAOYSA-N 0 0 236.265 3.556 20 30 BHEDRN C#CCCCC(C)N=Nc1cc(C)ccc1F ZINC000863100266 589255445 /nfs/dbraw/zinc/25/54/45/589255445.db2.gz RRPPPTPRYXQKOO-UHFFFAOYSA-N 0 0 232.302 3.725 20 30 BHEDRN Cc1ccnc(N=NCCCCC(C)C)c1 ZINC000863100939 589256164 /nfs/dbraw/zinc/25/61/64/589256164.db2.gz BFZYBPWGJPZZTB-UHFFFAOYSA-N 0 0 219.332 3.614 20 30 BHEDRN Cc1ccc([C@@H](C)C=NOCC(F)(F)F)cc1 ZINC000863103342 589256094 /nfs/dbraw/zinc/25/60/94/589256094.db2.gz VXNUDNAVNMJHQS-JTQLQIEISA-N 0 0 245.244 3.663 20 30 BHEDRN Cc1ccc([C@H](C)C=NOCC(F)(F)F)cc1 ZINC000863103343 589255968 /nfs/dbraw/zinc/25/59/68/589255968.db2.gz VXNUDNAVNMJHQS-SNVBAGLBSA-N 0 0 245.244 3.663 20 30 BHEDRN CCC[C@H](C)CCCC(C)=NN[C@H](C)CC#N ZINC000863103561 589256123 /nfs/dbraw/zinc/25/61/23/589256123.db2.gz CQCPEIUQEXCLJI-GXTWGEPZSA-N 0 0 237.391 3.861 20 30 BHEDRN CCC[C@H](C)CCCC(C)=NN[C@@H](C)CC#N ZINC000863103562 589255909 /nfs/dbraw/zinc/25/59/09/589255909.db2.gz CQCPEIUQEXCLJI-JSGCOSHPSA-N 0 0 237.391 3.861 20 30 BHEDRN CCC[C@@H](C)CCCC(C)=NN[C@@H](C)CC#N ZINC000863103563 589256077 /nfs/dbraw/zinc/25/60/77/589256077.db2.gz CQCPEIUQEXCLJI-OCCSQVGLSA-N 0 0 237.391 3.861 20 30 BHEDRN CCC[C@@H](C)CCCC(C)=NN[C@H](C)CC#N ZINC000863103564 589255995 /nfs/dbraw/zinc/25/59/95/589255995.db2.gz CQCPEIUQEXCLJI-TZMCWYRMSA-N 0 0 237.391 3.861 20 30 BHEDRN Cc1ccc([C@@H](C)C=NO[C@@H]2CCCCO2)cc1 ZINC000863103919 589255903 /nfs/dbraw/zinc/25/59/03/589255903.db2.gz ODUDFBBBPFTQHA-DZGCQCFKSA-N 0 0 247.338 3.628 20 30 BHEDRN Cc1ccc([C@H](C)C=NO[C@H]2CCCCO2)cc1 ZINC000863103920 589256096 /nfs/dbraw/zinc/25/60/96/589256096.db2.gz ODUDFBBBPFTQHA-HIFRSBDPSA-N 0 0 247.338 3.628 20 30 BHEDRN Cc1ccc([C@H](C)C=NO[C@@H]2CCCCO2)cc1 ZINC000863103921 589255915 /nfs/dbraw/zinc/25/59/15/589255915.db2.gz ODUDFBBBPFTQHA-UKRRQHHQSA-N 0 0 247.338 3.628 20 30 BHEDRN Cc1ccc([C@@H](C)C=NO[C@H]2CCCCO2)cc1 ZINC000863103922 589256021 /nfs/dbraw/zinc/25/60/21/589256021.db2.gz ODUDFBBBPFTQHA-ZFWWWQNUSA-N 0 0 247.338 3.628 20 30 BHEDRN CCC[C@@H](C)CCCC(C)N=NC[C@H](C)C#N ZINC000863104119 589255979 /nfs/dbraw/zinc/25/59/79/589255979.db2.gz URHHHWBRCWXPIO-CHWSQXEVSA-N 0 0 237.391 3.718 20 30 BHEDRN CCC[C@@H](C)CCCC(C)N=NC[C@@H](C)C#N ZINC000863104120 589255948 /nfs/dbraw/zinc/25/59/48/589255948.db2.gz URHHHWBRCWXPIO-OLZOCXBDSA-N 0 0 237.391 3.718 20 30 BHEDRN CCC[C@H](C)CCCC(C)N=NC[C@H](C)C#N ZINC000863104121 589256151 /nfs/dbraw/zinc/25/61/51/589256151.db2.gz URHHHWBRCWXPIO-QWHCGFSZSA-N 0 0 237.391 3.718 20 30 BHEDRN CCC[C@H](C)CCCC(C)N=NC[C@@H](C)C#N ZINC000863104122 589255949 /nfs/dbraw/zinc/25/59/49/589255949.db2.gz URHHHWBRCWXPIO-STQMWFEESA-N 0 0 237.391 3.718 20 30 BHEDRN C#CCCCC(C)N=Nc1ccc(F)cc1C ZINC000863104254 589256236 /nfs/dbraw/zinc/25/62/36/589256236.db2.gz YTNACELTKZUKKG-UHFFFAOYSA-N 0 0 232.302 3.725 20 30 BHEDRN CC(F)(F)C(C)(C)C=NOC1CCCC1 ZINC000863104717 589256431 /nfs/dbraw/zinc/25/64/31/589256431.db2.gz ODOQGZMAXXIGIJ-UHFFFAOYSA-N 0 0 219.275 3.613 20 30 BHEDRN COCCCC1(C=NOC2CCCC2)CCC1 ZINC000863105166 589256415 /nfs/dbraw/zinc/25/64/15/589256415.db2.gz YCZPPCWULSFTPF-UHFFFAOYSA-N 0 0 239.359 3.528 20 30 BHEDRN Cc1cccnc1N=NCCCCC(C)C ZINC000863107073 589256784 /nfs/dbraw/zinc/25/67/84/589256784.db2.gz BZGLKONGIIPPNT-UHFFFAOYSA-N 0 0 219.332 3.614 20 30 BHEDRN CCC(CCc1ccccc1)=NN[C@H](C)CC ZINC000863107265 589256956 /nfs/dbraw/zinc/25/69/56/589256956.db2.gz JTRWHPRQPCFPQZ-CYBMUJFWSA-N 0 0 232.371 3.773 20 30 BHEDRN CCC(CCc1ccccc1)=NN[C@@H](C)CC ZINC000863107266 589257237 /nfs/dbraw/zinc/25/72/37/589257237.db2.gz JTRWHPRQPCFPQZ-ZDUSSCGKSA-N 0 0 232.371 3.773 20 30 BHEDRN CCC(CCc1ccccc1)=NOCC(F)F ZINC000863107716 589257211 /nfs/dbraw/zinc/25/72/11/589257211.db2.gz BEEVKZCZLDUQOT-UHFFFAOYSA-N 0 0 241.281 3.667 20 30 BHEDRN COC1CCC(C=NOC2CCCCC2)CC1 ZINC000863107813 589257073 /nfs/dbraw/zinc/25/70/73/589257073.db2.gz BCYHFQMMVJMLJY-UHFFFAOYSA-N 0 0 239.359 3.527 20 30 BHEDRN CC(C)CCCC=NOCCC(F)(F)F ZINC000863107909 589256981 /nfs/dbraw/zinc/25/69/81/589256981.db2.gz CUOXLAQANGDNLV-UHFFFAOYSA-N 0 0 225.254 3.768 20 30 BHEDRN C#CCCCC(C)=NOCc1ccc(F)cc1 ZINC000863108057 589256997 /nfs/dbraw/zinc/25/69/97/589256997.db2.gz IZHRXFBWBDNSML-UHFFFAOYSA-N 0 0 233.286 3.522 20 30 BHEDRN CC(F)(F)C(C)(C)C=NOCCC(F)(F)F ZINC000863108098 589257183 /nfs/dbraw/zinc/25/71/83/589257183.db2.gz GSBZHHYVIPMLGM-UHFFFAOYSA-N 0 0 247.207 3.623 20 30 BHEDRN CC(=NOC1CCCCC1)C1CC(F)(F)C1 ZINC000863108155 589257142 /nfs/dbraw/zinc/25/71/42/589257142.db2.gz HLBBCHZKYHLXFF-UHFFFAOYSA-N 0 0 231.286 3.757 20 30 BHEDRN Fc1cccc(Cl)c1N=NC[C@H]1CC12CC2 ZINC000863108349 589257291 /nfs/dbraw/zinc/25/72/91/589257291.db2.gz POXHVQVTNDVTOC-MRVPVSSYSA-N 0 0 238.693 3.677 20 30 BHEDRN Fc1cccc(Cl)c1N=NC[C@@H]1CC12CC2 ZINC000863108350 589257522 /nfs/dbraw/zinc/25/75/22/589257522.db2.gz POXHVQVTNDVTOC-QMMMGPOBSA-N 0 0 238.693 3.677 20 30 BHEDRN CC(=NOC1CCCCC1)c1nc(C)cs1 ZINC000863108411 589257516 /nfs/dbraw/zinc/25/75/16/589257516.db2.gz LIARAKHNQJSJFG-UHFFFAOYSA-N 0 0 238.356 3.525 20 30 BHEDRN C#CCCCC(C)=NOC1CCCCC1 ZINC000863108716 583976401 /nfs/dbraw/zinc/97/64/01/583976401.db2.gz QFHVRJCEDMXQMB-UHFFFAOYSA-N 0 0 207.317 3.515 20 30 BHEDRN C#CCCCC(C)N=Nc1c(C)cccc1F ZINC000863108764 589257535 /nfs/dbraw/zinc/25/75/35/589257535.db2.gz WYSHAHLXGDDTEC-UHFFFAOYSA-N 0 0 232.302 3.725 20 30 BHEDRN CC(=NN[C@@H]1CCCC1(C)C)C1CC(F)(F)C1 ZINC000863109923 589257816 /nfs/dbraw/zinc/25/78/16/589257816.db2.gz DIZVWMQLGANYNF-LLVKDONJSA-N 0 0 244.329 3.576 20 30 BHEDRN CC(=NN[C@H]1CCCC1(C)C)C1CC(F)(F)C1 ZINC000863109924 589257914 /nfs/dbraw/zinc/25/79/14/589257914.db2.gz DIZVWMQLGANYNF-NSHDSACASA-N 0 0 244.329 3.576 20 30 BHEDRN C#CCCCC(C)=NN[C@H]1CCCCC1(C)C ZINC000863109949 636674331 /nfs/dbraw/zinc/67/43/31/636674331.db2.gz DYBZKUAIXGHIGB-AWEZNQCLSA-N 0 0 234.387 3.724 20 30 BHEDRN C#CCCCC(C)=NN[C@@H]1CCCCC1(C)C ZINC000863109950 636674408 /nfs/dbraw/zinc/67/44/08/636674408.db2.gz DYBZKUAIXGHIGB-CQSZACIVSA-N 0 0 234.387 3.724 20 30 BHEDRN CCc1cccc(C)c1N=NC[C@H]1CC12CC2 ZINC000863110978 589257890 /nfs/dbraw/zinc/25/78/90/589257890.db2.gz JJBGVDWOQNLVCK-CYBMUJFWSA-N 0 0 228.339 3.755 20 30 BHEDRN CCc1cccc(C)c1N=NC[C@@H]1CC12CC2 ZINC000863110979 589257936 /nfs/dbraw/zinc/25/79/36/589257936.db2.gz JJBGVDWOQNLVCK-ZDUSSCGKSA-N 0 0 228.339 3.755 20 30 BHEDRN CC(C)CCCC=NOC/C=C\Cl ZINC000863111511 583976744 /nfs/dbraw/zinc/97/67/44/583976744.db2.gz CJSWSLCXFZXVAD-BDWMUDNWSA-N 0 0 203.713 3.568 20 30 BHEDRN CC(C)CCCC=NOC/C=C/Cl ZINC000863111516 583976764 /nfs/dbraw/zinc/97/67/64/583976764.db2.gz CJSWSLCXFZXVAD-PMEZZHSESA-N 0 0 203.713 3.568 20 30 BHEDRN Cl/C=C\CON=C[C@@H]1CCc2ccccc2C1 ZINC000863111630 589257843 /nfs/dbraw/zinc/25/78/43/589257843.db2.gz DSMMNUAEHPGICU-MBDASZTGSA-N 0 0 249.741 3.546 20 30 BHEDRN Cl/C=C/CON=C[C@@H]1CCc2ccccc2C1 ZINC000863111631 589257810 /nfs/dbraw/zinc/25/78/10/589257810.db2.gz DSMMNUAEHPGICU-NMLBJUAUSA-N 0 0 249.741 3.546 20 30 BHEDRN Cl/C=C/CON=C[C@H]1CCc2ccccc2C1 ZINC000863111632 589257674 /nfs/dbraw/zinc/25/76/74/589257674.db2.gz DSMMNUAEHPGICU-NOTNFELUSA-N 0 0 249.741 3.546 20 30 BHEDRN Cl/C=C\CON=C[C@H]1CCc2ccccc2C1 ZINC000863111633 589257829 /nfs/dbraw/zinc/25/78/29/589257829.db2.gz DSMMNUAEHPGICU-RLLXNZCISA-N 0 0 249.741 3.546 20 30 BHEDRN CCC[C@@H](C)CCCC(C)N=Nc1cncnc1 ZINC000863111786 589257965 /nfs/dbraw/zinc/25/79/65/589257965.db2.gz JJMWDEKYXHMKQN-GFCCVEGCSA-N 0 0 248.374 3.871 20 30 BHEDRN CCC[C@H](C)CCCC(C)N=Nc1cncnc1 ZINC000863111787 589257934 /nfs/dbraw/zinc/25/79/34/589257934.db2.gz JJMWDEKYXHMKQN-LBPRGKRZSA-N 0 0 248.374 3.871 20 30 BHEDRN Cc1ccc([C@@H](C)C=NOC/C=C/Cl)cc1 ZINC000863112055 589258151 /nfs/dbraw/zinc/25/81/51/589258151.db2.gz IYRFQJVJHUCIMB-FHUOWIPVSA-N 0 0 237.730 3.853 20 30 BHEDRN Cc1ccc([C@@H](C)C=NOC/C=C\Cl)cc1 ZINC000863112057 589258121 /nfs/dbraw/zinc/25/81/21/589258121.db2.gz IYRFQJVJHUCIMB-RNIZPYSMSA-N 0 0 237.730 3.853 20 30 BHEDRN Cc1ccc([C@H](C)C=NOC/C=C/Cl)cc1 ZINC000863112060 589258269 /nfs/dbraw/zinc/25/82/69/589258269.db2.gz IYRFQJVJHUCIMB-VCDMBIDNSA-N 0 0 237.730 3.853 20 30 BHEDRN Cc1ccc([C@H](C)C=NOC/C=C\Cl)cc1 ZINC000863112062 589258286 /nfs/dbraw/zinc/25/82/86/589258286.db2.gz IYRFQJVJHUCIMB-VXGBXNKBSA-N 0 0 237.730 3.853 20 30 BHEDRN C=C(C)CNN=C(CC)CCc1ccccc1 ZINC000863112598 589258207 /nfs/dbraw/zinc/25/82/07/589258207.db2.gz MGPIISAMZCILRW-UHFFFAOYSA-N 0 0 230.355 3.551 20 30 BHEDRN CCC[C@@H](C)CCCC(C)=NN(C)CCOC ZINC000863112707 589258155 /nfs/dbraw/zinc/25/81/55/589258155.db2.gz WOEAATMASXHNPI-CYBMUJFWSA-N 0 0 242.407 3.547 20 30 BHEDRN CCC[C@H](C)CCCC(C)=NN(C)CCOC ZINC000863112709 589258342 /nfs/dbraw/zinc/25/83/42/589258342.db2.gz WOEAATMASXHNPI-ZDUSSCGKSA-N 0 0 242.407 3.547 20 30 BHEDRN Cc1ccc([C@H](C)C=NOC2CCC2)cc1 ZINC000863114196 589258905 /nfs/dbraw/zinc/25/89/05/589258905.db2.gz DBIDWXGVADPWNY-GFCCVEGCSA-N 0 0 217.312 3.653 20 30 BHEDRN Cc1ccc([C@@H](C)C=NOC2CCC2)cc1 ZINC000863114197 589258955 /nfs/dbraw/zinc/25/89/55/589258955.db2.gz DBIDWXGVADPWNY-LBPRGKRZSA-N 0 0 217.312 3.653 20 30 BHEDRN Cc1ccc([C@@H](C)C=NOCCOC(C)C)cc1 ZINC000863114252 589258874 /nfs/dbraw/zinc/25/88/74/589258874.db2.gz FPGBSYXKNMLQTE-AWEZNQCLSA-N 0 0 249.354 3.526 20 30 BHEDRN Cc1ccc([C@H](C)C=NOCCOC(C)C)cc1 ZINC000863114253 589259100 /nfs/dbraw/zinc/25/91/00/589259100.db2.gz FPGBSYXKNMLQTE-CQSZACIVSA-N 0 0 249.354 3.526 20 30 BHEDRN Oc1cccc2sc(C=NOC3CCC3)cc21 ZINC000863114276 583977723 /nfs/dbraw/zinc/97/77/23/583977723.db2.gz GAWWHGVTFHPGIU-UHFFFAOYSA-N 0 0 247.319 3.510 20 30 BHEDRN FC(F)(F)c1cc(C=NOC2CCC2)cs1 ZINC000863114317 589259032 /nfs/dbraw/zinc/25/90/32/589259032.db2.gz GVMYAWSTTLANRA-UHFFFAOYSA-N 0 0 249.257 3.670 20 30 BHEDRN CC[C@@H](C)CON=CC1(CCCOC)CCC1 ZINC000863114326 589258913 /nfs/dbraw/zinc/25/89/13/589258913.db2.gz HERMOFMIHZUARV-CYBMUJFWSA-N 0 0 241.375 3.632 20 30 BHEDRN CC[C@H](C)CON=CC1(CCCOC)CCC1 ZINC000863114327 589259015 /nfs/dbraw/zinc/25/90/15/589259015.db2.gz HERMOFMIHZUARV-ZDUSSCGKSA-N 0 0 241.375 3.632 20 30 BHEDRN FC(F)(F)c1sccc1C=NOC1CCC1 ZINC000863114362 589258962 /nfs/dbraw/zinc/25/89/62/589258962.db2.gz HTRMYSJRGFCIJE-UHFFFAOYSA-N 0 0 249.257 3.670 20 30 BHEDRN CC[C@@H](C)CON=CC(C)(C)C(C)(F)F ZINC000863114634 589258949 /nfs/dbraw/zinc/25/89/49/589258949.db2.gz PEGTUAQYJQLLRN-SECBINFHSA-N 0 0 221.291 3.716 20 30 BHEDRN CC[C@H](C)CON=CC(C)(C)C(C)(F)F ZINC000863114635 589258813 /nfs/dbraw/zinc/25/88/13/589258813.db2.gz PEGTUAQYJQLLRN-VIFPVBQESA-N 0 0 221.291 3.716 20 30 BHEDRN C[C@@H](NN=Cc1ccc2cc[nH]c2c1)C(C)(C)C ZINC000863114658 589258802 /nfs/dbraw/zinc/25/88/02/589258802.db2.gz PXKCETWXGXZMHD-LLVKDONJSA-N 0 0 243.354 3.526 20 30 BHEDRN C[C@H](NN=Cc1ccc2cc[nH]c2c1)C(C)(C)C ZINC000863114659 589258957 /nfs/dbraw/zinc/25/89/57/589258957.db2.gz PXKCETWXGXZMHD-NSHDSACASA-N 0 0 243.354 3.526 20 30 BHEDRN CC(=NNCC1(C)CCCC1)C1CC(F)(F)C1 ZINC000863114780 589258838 /nfs/dbraw/zinc/25/88/38/589258838.db2.gz UFVXKPRIFHJRJH-UHFFFAOYSA-N 0 0 244.329 3.578 20 30 BHEDRN C#CCON=C(CCC)c1cc(C)sc1C ZINC000863115059 583977492 /nfs/dbraw/zinc/97/74/92/583977492.db2.gz YQMHNZIZNGWOFB-UHFFFAOYSA-N 0 0 235.352 3.519 20 30 BHEDRN FC(F)(F)c1sccc1C=NOCC1CC1 ZINC000863115221 589259174 /nfs/dbraw/zinc/25/91/74/589259174.db2.gz HGZSQZFZNQANTM-UHFFFAOYSA-N 0 0 249.257 3.527 20 30 BHEDRN FC(F)(F)c1cc(C=NOCC2CC2)cs1 ZINC000863115443 589259381 /nfs/dbraw/zinc/25/93/81/589259381.db2.gz PCRUOPFRTXWXQC-UHFFFAOYSA-N 0 0 249.257 3.527 20 30 BHEDRN Cc1ccc([C@H](C)C=NOCC2CC2)cc1 ZINC000863115553 583977833 /nfs/dbraw/zinc/97/78/33/583977833.db2.gz RYJFFVPUMBCBSK-GFCCVEGCSA-N 0 0 217.312 3.511 20 30 BHEDRN Cc1ccc([C@@H](C)C=NOCC2CC2)cc1 ZINC000863115562 583977601 /nfs/dbraw/zinc/97/76/01/583977601.db2.gz RYJFFVPUMBCBSK-LBPRGKRZSA-N 0 0 217.312 3.511 20 30 BHEDRN CCC[C@@H](C)CCCC(C)N=Nc1ccncn1 ZINC000863115868 589259274 /nfs/dbraw/zinc/25/92/74/589259274.db2.gz BJTMGTSNDRUKPY-GFCCVEGCSA-N 0 0 248.374 3.871 20 30 BHEDRN CCC[C@H](C)CCCC(C)N=Nc1ccncn1 ZINC000863115869 589259207 /nfs/dbraw/zinc/25/92/07/589259207.db2.gz BJTMGTSNDRUKPY-LBPRGKRZSA-N 0 0 248.374 3.871 20 30 BHEDRN Cc1ccc([C@H](C)C=NOC(C)C)cc1 ZINC000863115922 589259370 /nfs/dbraw/zinc/25/93/70/589259370.db2.gz CYJUZQLUXPUCJQ-GFCCVEGCSA-N 0 0 205.301 3.509 20 30 BHEDRN Cc1ccc([C@@H](C)C=NOC(C)C)cc1 ZINC000863115923 589259270 /nfs/dbraw/zinc/25/92/70/589259270.db2.gz CYJUZQLUXPUCJQ-LBPRGKRZSA-N 0 0 205.301 3.509 20 30 BHEDRN CC(C)ON=Cc1ccsc1C(F)(F)F ZINC000863115954 583978374 /nfs/dbraw/zinc/97/83/74/583978374.db2.gz DYPYCQPSGCVTKV-UHFFFAOYSA-N 0 0 237.246 3.526 20 30 BHEDRN C#CCCCC(C)N=Nc1ccc(SC)cc1 ZINC000863116013 589259415 /nfs/dbraw/zinc/25/94/15/589259415.db2.gz GJMVGPSKNKGMDQ-UHFFFAOYSA-N 0 0 246.379 4.000 20 30 BHEDRN CC(C)ON=CCc1cccc(C(F)(F)F)c1 ZINC000863116408 589259301 /nfs/dbraw/zinc/25/93/01/589259301.db2.gz PCABXYQUDVWYEI-UHFFFAOYSA-N 0 0 245.244 3.659 20 30 BHEDRN CC(C)ON=Cc1csc(C(F)(F)F)c1 ZINC000863116550 589259752 /nfs/dbraw/zinc/25/97/52/589259752.db2.gz SKSNCBGQQCFNPL-UHFFFAOYSA-N 0 0 237.246 3.526 20 30 BHEDRN C#CCCCC(C)N=Nc1ccc(OCC)cc1 ZINC000863117634 589259613 /nfs/dbraw/zinc/25/96/13/589259613.db2.gz ZKAMXACWRVXVMG-UHFFFAOYSA-N 0 0 244.338 3.677 20 30 BHEDRN CCc1ccc(N=NC(C)[C@@H]2CCCCO2)cc1 ZINC000863117696 589259723 /nfs/dbraw/zinc/25/97/23/589259723.db2.gz AVXFMNRGVRZKBF-HNNXBMFYSA-N 0 0 246.354 3.606 20 30 BHEDRN CCc1ccc(N=NC(C)[C@H]2CCCCO2)cc1 ZINC000863117697 589259717 /nfs/dbraw/zinc/25/97/17/589259717.db2.gz AVXFMNRGVRZKBF-OAHLLOKOSA-N 0 0 246.354 3.606 20 30 BHEDRN CCCON=C[C@@H](C)c1ccc(C)cc1 ZINC000863122919 589260784 /nfs/dbraw/zinc/26/07/84/589260784.db2.gz AGJDTNXSUCGCCA-GFCCVEGCSA-N 0 0 205.301 3.511 20 30 BHEDRN CCCON=C[C@H](C)c1ccc(C)cc1 ZINC000863122921 589260785 /nfs/dbraw/zinc/26/07/85/589260785.db2.gz AGJDTNXSUCGCCA-LBPRGKRZSA-N 0 0 205.301 3.511 20 30 BHEDRN CCCON=Cc1csc(C(F)(F)F)c1 ZINC000863123022 589260896 /nfs/dbraw/zinc/26/08/96/589260896.db2.gz BNHREVAEDPYETD-UHFFFAOYSA-N 0 0 237.246 3.527 20 30 BHEDRN C=C(C)CON=C[C@@H](C)c1ccc(C)cc1 ZINC000863123522 589260848 /nfs/dbraw/zinc/26/08/48/589260848.db2.gz HXUJIJRFFUVTCT-CYBMUJFWSA-N 0 0 217.312 3.677 20 30 BHEDRN C=C(C)CON=C[C@H](C)c1ccc(C)cc1 ZINC000863123523 589260942 /nfs/dbraw/zinc/26/09/42/589260942.db2.gz HXUJIJRFFUVTCT-ZDUSSCGKSA-N 0 0 217.312 3.677 20 30 BHEDRN CCCON=Cc1ccsc1C(F)(F)F ZINC000863123772 589261002 /nfs/dbraw/zinc/26/10/02/589261002.db2.gz LBOGCEZJHVHMMP-UHFFFAOYSA-N 0 0 237.246 3.527 20 30 BHEDRN CCC(CCc1ccccc1)=NNC12CC(C1)C2 ZINC000863123851 589260953 /nfs/dbraw/zinc/26/09/53/589260953.db2.gz WOXYOZARYJPSKZ-UHFFFAOYSA-N 0 0 242.366 3.527 20 30 BHEDRN C=C[C@@H](C)ON=Cc1ccsc1C(F)(F)F ZINC000863124087 589260862 /nfs/dbraw/zinc/26/08/62/589260862.db2.gz PVYNHFWYLGUFJO-SSDOTTSWSA-N 0 0 249.257 3.692 20 30 BHEDRN C=C[C@H](C)ON=Cc1ccsc1C(F)(F)F ZINC000863124088 589260964 /nfs/dbraw/zinc/26/09/64/589260964.db2.gz PVYNHFWYLGUFJO-ZETCQYMHSA-N 0 0 249.257 3.692 20 30 BHEDRN C=C[C@@H](C)ON=C[C@@H](C)c1ccc(C)cc1 ZINC000863124120 589260844 /nfs/dbraw/zinc/26/08/44/589260844.db2.gz QZTAXWFZEUUJDM-CHWSQXEVSA-N 0 0 217.312 3.675 20 30 BHEDRN C=C[C@H](C)ON=C[C@@H](C)c1ccc(C)cc1 ZINC000863124121 589260903 /nfs/dbraw/zinc/26/09/03/589260903.db2.gz QZTAXWFZEUUJDM-OLZOCXBDSA-N 0 0 217.312 3.675 20 30 BHEDRN C=C[C@@H](C)ON=C[C@H](C)c1ccc(C)cc1 ZINC000863124122 589261027 /nfs/dbraw/zinc/26/10/27/589261027.db2.gz QZTAXWFZEUUJDM-QWHCGFSZSA-N 0 0 217.312 3.675 20 30 BHEDRN C=C[C@H](C)ON=C[C@H](C)c1ccc(C)cc1 ZINC000863124123 589260923 /nfs/dbraw/zinc/26/09/23/589260923.db2.gz QZTAXWFZEUUJDM-STQMWFEESA-N 0 0 217.312 3.675 20 30 BHEDRN C=C[C@@H](C)ON=Cc1csc(C(F)(F)F)c1 ZINC000863124448 589260996 /nfs/dbraw/zinc/26/09/96/589260996.db2.gz VYXIKRQYNVXTTH-SSDOTTSWSA-N 0 0 249.257 3.692 20 30 BHEDRN C=C[C@H](C)ON=Cc1csc(C(F)(F)F)c1 ZINC000863124449 589260826 /nfs/dbraw/zinc/26/08/26/589260826.db2.gz VYXIKRQYNVXTTH-ZETCQYMHSA-N 0 0 249.257 3.692 20 30 BHEDRN CCCON=CCc1cccc(C(F)(F)F)c1 ZINC000863124473 589260809 /nfs/dbraw/zinc/26/08/09/589260809.db2.gz WQSLYPRXKJWUCJ-UHFFFAOYSA-N 0 0 245.244 3.660 20 30 BHEDRN C#CCCCC(C)N=Nc1ccc(C)c(F)c1 ZINC000863124697 589261040 /nfs/dbraw/zinc/26/10/40/589261040.db2.gz AKGKOZQULXEOHV-UHFFFAOYSA-N 0 0 232.302 3.725 20 30 BHEDRN C[C@H]1CCCCN1N=CC(C)(C)C(C)(F)F ZINC000863126139 589261239 /nfs/dbraw/zinc/26/12/39/589261239.db2.gz DZQWSGHHBQRURE-JTQLQIEISA-N 0 0 232.318 3.528 20 30 BHEDRN C[C@@H]1CCCCN1N=CC(C)(C)C(C)(F)F ZINC000863126140 589261172 /nfs/dbraw/zinc/26/11/72/589261172.db2.gz DZQWSGHHBQRURE-SNVBAGLBSA-N 0 0 232.318 3.528 20 30 BHEDRN C#CCCCC(C)N=Nc1cc(F)ccc1C ZINC000863126700 589261204 /nfs/dbraw/zinc/26/12/04/589261204.db2.gz NFUMGBBQMYOVRV-UHFFFAOYSA-N 0 0 232.302 3.725 20 30 BHEDRN Fc1cccc(N=NC2CCCC2)c1Cl ZINC000863156876 589263524 /nfs/dbraw/zinc/26/35/24/589263524.db2.gz DVCQADSBTCSYSN-UHFFFAOYSA-N 0 0 226.682 3.821 20 30 BHEDRN CCC(C)N=Nc1cccc(F)c1Cl ZINC000863157702 589263728 /nfs/dbraw/zinc/26/37/28/589263728.db2.gz QUVIHMGLFNSTAQ-UHFFFAOYSA-N 0 0 214.671 3.677 20 30 BHEDRN C[C@@H]1C[C@@H]1CN=Nc1cccc(F)c1Cl ZINC000863158806 589264192 /nfs/dbraw/zinc/26/41/92/589264192.db2.gz 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Cc1cccc(N=NC2CCC23CCCC3)n1 ZINC000863159868 589264818 /nfs/dbraw/zinc/26/48/18/589264818.db2.gz HFQPLMPLXLAAPV-UHFFFAOYSA-N 0 0 229.327 3.512 20 30 BHEDRN C=CCCC(CC)N=Nc1cccc(C)n1 ZINC000863159941 589264656 /nfs/dbraw/zinc/26/46/56/589264656.db2.gz KZWXOGQDFSWYOP-UHFFFAOYSA-N 0 0 217.316 3.534 20 30 BHEDRN C=CCCC(N=Nc1cccc(C)n1)C1CC1 ZINC000863159963 583979354 /nfs/dbraw/zinc/97/93/54/583979354.db2.gz LSEHTRNDEHMGQQ-UHFFFAOYSA-N 0 0 229.327 3.534 20 30 BHEDRN Cc1cccc(N=NC(C)CC2CCCC2)n1 ZINC000863160093 589264596 /nfs/dbraw/zinc/26/45/96/589264596.db2.gz QPORAPXVEQPJGB-UHFFFAOYSA-N 0 0 231.343 3.758 20 30 BHEDRN CC(C)=CCCC(C)N=Nc1cccc(C)n1 ZINC000863160109 589264694 /nfs/dbraw/zinc/26/46/94/589264694.db2.gz RAHOWNXNVPQGBU-UHFFFAOYSA-N 0 0 231.343 3.924 20 30 BHEDRN Cc1cccc(N=NC2CC[C@H]2C(C)(C)C)n1 ZINC000863160161 589264557 /nfs/dbraw/zinc/26/45/57/589264557.db2.gz SUVDPUOIOYVNPD-LLVKDONJSA-N 0 0 231.343 3.614 20 30 BHEDRN Cc1cccc(N=NC2CC[C@@H]2C(C)(C)C)n1 ZINC000863160162 589264655 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249.379 3.550 20 30 BHEDRN C=CCCCC(=O)N1CCc2ccsc2[C@@H]1C ZINC000882182189 591312610 /nfs/dbraw/zinc/31/26/10/591312610.db2.gz AEJVMXSWCGPIKZ-NSHDSACASA-N 0 0 249.379 3.550 20 30 BHEDRN C=CC[C@@H](C)SCC(=O)c1ccccc1 ZINC000882204332 591315996 /nfs/dbraw/zinc/31/59/96/591315996.db2.gz MKVGOFPFEYURPF-LLVKDONJSA-N 0 0 220.337 3.567 20 30 BHEDRN C=CC[C@H](C)SCC(=O)c1ccccc1 ZINC000882204333 591316013 /nfs/dbraw/zinc/31/60/13/591316013.db2.gz MKVGOFPFEYURPF-NSHDSACASA-N 0 0 220.337 3.567 20 30 BHEDRN C=CC[C@H](C)n1ccnc1[C@H](O)C1CCCCC1 ZINC000882215180 591317203 /nfs/dbraw/zinc/31/72/03/591317203.db2.gz LULSITRGYFHZQG-GXTWGEPZSA-N 0 0 248.370 3.634 20 30 BHEDRN C=CC[C@H](C)n1ccnc1[C@@H](O)C1CCCCC1 ZINC000882215181 591317378 /nfs/dbraw/zinc/31/73/78/591317378.db2.gz LULSITRGYFHZQG-JSGCOSHPSA-N 0 0 248.370 3.634 20 30 BHEDRN C=CC[C@@H](C)n1ccnc1[C@@H](O)C1CCCCC1 ZINC000882215182 591316989 /nfs/dbraw/zinc/31/69/89/591316989.db2.gz LULSITRGYFHZQG-OCCSQVGLSA-N 0 0 248.370 3.634 20 30 BHEDRN C=CC[C@@H](C)n1ccnc1[C@H](O)C1CCCCC1 ZINC000882215183 591317174 /nfs/dbraw/zinc/31/71/74/591317174.db2.gz LULSITRGYFHZQG-TZMCWYRMSA-N 0 0 248.370 3.634 20 30 BHEDRN C=CCCC[C@H](NC(=O)C1CC1)c1ccccc1 ZINC000882233273 591319580 /nfs/dbraw/zinc/31/95/80/591319580.db2.gz IHYVWNHKVLRWJF-HNNXBMFYSA-N 0 0 243.350 3.610 20 30 BHEDRN C=CCCC[C@@H](NC(=O)C1CC1)c1ccccc1 ZINC000882233274 591319468 /nfs/dbraw/zinc/31/94/68/591319468.db2.gz IHYVWNHKVLRWJF-OAHLLOKOSA-N 0 0 243.350 3.610 20 30 BHEDRN C=CCCC[C@H](NC(=O)CC)c1ccccc1 ZINC000882233970 591319441 /nfs/dbraw/zinc/31/94/41/591319441.db2.gz VAAFVHWLHHBNTG-AWEZNQCLSA-N 0 0 231.339 3.610 20 30 BHEDRN C=CCCC[C@@H](NC(=O)CC)c1ccccc1 ZINC000882233971 583600238 /nfs/dbraw/zinc/60/02/38/583600238.db2.gz VAAFVHWLHHBNTG-CQSZACIVSA-N 0 0 231.339 3.610 20 30 BHEDRN C=CC[C@@H](C)SCCC[C@@H](O)CCC ZINC000882280870 591325907 /nfs/dbraw/zinc/32/59/07/591325907.db2.gz MVYUWNAEMLHHHH-NEPJUHHUSA-N 0 0 216.390 3.625 20 30 BHEDRN C=CC[C@H](C)SCCC[C@H](O)CCC 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631383649 /nfs/dbraw/zinc/38/36/49/631383649.db2.gz ZTRFVSCPIJCTLO-OLZOCXBDSA-N 0 0 225.376 3.509 20 30 BHEDRN CCCCCCCCCNC(=O)[C@@H]1C[C@@H]1C ZINC000891522377 631382272 /nfs/dbraw/zinc/38/22/72/631382272.db2.gz ZTRFVSCPIJCTLO-QWHCGFSZSA-N 0 0 225.376 3.509 20 30 BHEDRN C=C1CCC(C(=O)NC2(C3CCC3)CCC2)CC1 ZINC000891524502 582695261 /nfs/dbraw/zinc/69/52/61/582695261.db2.gz JMTCEURDROSAFY-UHFFFAOYSA-N 0 0 247.382 3.572 20 30 BHEDRN C=CC(C)(C)CC(=O)N(C)c1ccc(C)cc1F ZINC000891606304 582701486 /nfs/dbraw/zinc/70/14/86/582701486.db2.gz FHFWAJSPPOYXRS-UHFFFAOYSA-N 0 0 249.329 3.699 20 30 BHEDRN Cc1oc(C(C)(C)C)cc1CN(C)[C@H](C)CC#N ZINC000891934131 582739936 /nfs/dbraw/zinc/73/99/36/582739936.db2.gz QYYNDQCVGQZWCR-LLVKDONJSA-N 0 0 248.370 3.620 20 30 BHEDRN Cc1oc(C(C)(C)C)cc1CN(C)[C@@H](C)CC#N ZINC000891934132 582739619 /nfs/dbraw/zinc/73/96/19/582739619.db2.gz QYYNDQCVGQZWCR-NSHDSACASA-N 0 0 248.370 3.620 20 30 BHEDRN C=C1CCC(C(=O)N2CC[C@@H]3CCCC[C@@H]32)CC1 ZINC000892218572 631792824 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GTXURXMPDHNXKU-UHFFFAOYSA-N 0 0 235.352 3.741 20 30 BHEDRN C=C1CCC(C(=O)O[C@H](C)CC(C)(C)C#N)CC1 ZINC000893178314 583064548 /nfs/dbraw/zinc/06/45/48/583064548.db2.gz OZEWJFIXCBXRJT-GFCCVEGCSA-N 0 0 249.354 3.604 20 30 BHEDRN C=C1CCC(C(=O)O[C@@H](C)CC(C)(C)C#N)CC1 ZINC000893178315 583064461 /nfs/dbraw/zinc/06/44/61/583064461.db2.gz OZEWJFIXCBXRJT-LBPRGKRZSA-N 0 0 249.354 3.604 20 30 BHEDRN CC[C@@H](CC#N)Nc1nc2c(cccc2C)s1 ZINC000893186904 583067457 /nfs/dbraw/zinc/06/74/57/583067457.db2.gz IDVHCMVFMZPUEX-JTQLQIEISA-N 0 0 245.351 3.709 20 30 BHEDRN CC[C@H](CC#N)Nc1nc2c(cccc2C)s1 ZINC000893186905 583067543 /nfs/dbraw/zinc/06/75/43/583067543.db2.gz IDVHCMVFMZPUEX-SNVBAGLBSA-N 0 0 245.351 3.709 20 30 BHEDRN C=C(Cl)CNCc1ccc(C(F)F)c(F)c1 ZINC000893350640 583118944 /nfs/dbraw/zinc/11/89/44/583118944.db2.gz JSBGTKMUPSPXBF-UHFFFAOYSA-N 0 0 249.663 3.605 20 30 BHEDRN C=CC1(OC(=O)c2cscc2C(F)F)CC1 ZINC000893357262 583121232 /nfs/dbraw/zinc/12/12/32/583121232.db2.gz LQVDDAUVYJIWTK-UHFFFAOYSA-N 0 0 244.262 3.561 20 30 BHEDRN C=CC1(OC(=O)c2sccc2C(F)F)CC1 ZINC000893358739 583122763 /nfs/dbraw/zinc/12/27/63/583122763.db2.gz IEZSLISEPRDOAG-UHFFFAOYSA-N 0 0 244.262 3.561 20 30 BHEDRN Cc1oc(C(C)(C)C)cc1CNCC(C)(C)C#N ZINC000893550579 583163048 /nfs/dbraw/zinc/16/30/48/583163048.db2.gz FNKVQYVEPMOXCZ-UHFFFAOYSA-N 0 0 248.370 3.525 20 30 BHEDRN N#CCc1ccc(NC2CC3(C2)CCCC3)cc1 ZINC000893575962 711739427 /nfs/dbraw/zinc/73/94/27/711739427.db2.gz MEEDZHBIGARDCY-UHFFFAOYSA-N 0 0 240.350 3.887 20 30 BHEDRN N#CCc1ccc(NC2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000893576348 711739006 /nfs/dbraw/zinc/73/90/06/711739006.db2.gz QINCCVKFBNKBNJ-KBPBESRZSA-N 0 0 240.350 3.743 20 30 BHEDRN N#CCc1ccc(N[C@@H]2C[C@H]3CCC[C@H]3C2)cc1 ZINC000893576349 711738965 /nfs/dbraw/zinc/73/89/65/711738965.db2.gz QINCCVKFBNKBNJ-MIFYACCESA-N 0 0 240.350 3.743 20 30 BHEDRN N#CCc1ccc(NC2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000893576350 711739100 /nfs/dbraw/zinc/73/91/00/711739100.db2.gz QINCCVKFBNKBNJ-ZIAGYGMSSA-N 0 0 240.350 3.743 20 30 BHEDRN CCCSC[C@@H](C)Nc1ccc(CC#N)cc1 ZINC000893576548 711739130 /nfs/dbraw/zinc/73/91/30/711739130.db2.gz RPYYTAYODSWEDD-GFCCVEGCSA-N 0 0 248.395 3.696 20 30 BHEDRN CCCSC[C@H](C)Nc1ccc(CC#N)cc1 ZINC000893576565 711738692 /nfs/dbraw/zinc/73/86/92/711738692.db2.gz RPYYTAYODSWEDD-LBPRGKRZSA-N 0 0 248.395 3.696 20 30 BHEDRN CC[C@H](CC#N)NCc1cc(C(C)(C)C)oc1C ZINC000893607553 583172581 /nfs/dbraw/zinc/17/25/81/583172581.db2.gz XOOXHRVNAQEIND-CYBMUJFWSA-N 0 0 248.370 3.667 20 30 BHEDRN CC[C@@H](CC#N)NCc1cc(C(C)(C)C)oc1C ZINC000893607554 583172798 /nfs/dbraw/zinc/17/27/98/583172798.db2.gz XOOXHRVNAQEIND-ZDUSSCGKSA-N 0 0 248.370 3.667 20 30 BHEDRN C=C[C@@H]1CCCCN1Cc1nc(C(C)(C)C)co1 ZINC000894091514 583300238 /nfs/dbraw/zinc/30/02/38/583300238.db2.gz SETWLIXLLNNIIG-GFCCVEGCSA-N 0 0 248.370 3.513 20 30 BHEDRN C=C[C@H]1CCCCN1Cc1nc(C(C)(C)C)co1 ZINC000894091515 583299718 /nfs/dbraw/zinc/29/97/18/583299718.db2.gz SETWLIXLLNNIIG-LBPRGKRZSA-N 0 0 248.370 3.513 20 30 BHEDRN CC(C)(CC#N)CNc1ccc(C#N)cc1Cl ZINC000894158532 583321091 /nfs/dbraw/zinc/32/10/91/583321091.db2.gz FVXFZYWEKIQACM-UHFFFAOYSA-N 0 0 247.729 3.563 20 30 BHEDRN Cc1cccc2sc(SCCC#N)nc21 ZINC000894179032 583328156 /nfs/dbraw/zinc/32/81/56/583328156.db2.gz RWPSTIWLVSUIHV-UHFFFAOYSA-N 0 0 234.349 3.611 20 30 BHEDRN C=CCCC(=O)N1CC[C@H](C)[C@H]1c1ccccc1 ZINC000894303200 583416112 /nfs/dbraw/zinc/41/61/12/583416112.db2.gz GWXUFYMYLOEJMH-BBRMVZONSA-N 0 0 243.350 3.562 20 30 BHEDRN C=CCCC(=O)N1CC[C@@H](C)[C@H]1c1ccccc1 ZINC000894303202 583416295 /nfs/dbraw/zinc/41/62/95/583416295.db2.gz GWXUFYMYLOEJMH-CJNGLKHVSA-N 0 0 243.350 3.562 20 30 BHEDRN C=CCCC(=O)N1CC[C@@H](C)[C@@H]1c1ccccc1 ZINC000894303203 583416129 /nfs/dbraw/zinc/41/61/29/583416129.db2.gz GWXUFYMYLOEJMH-CZUORRHYSA-N 0 0 243.350 3.562 20 30 BHEDRN C=CCCC(=O)N1CC[C@H](C)[C@@H]1c1ccccc1 ZINC000894303204 583416276 /nfs/dbraw/zinc/41/62/76/583416276.db2.gz GWXUFYMYLOEJMH-XJKSGUPXSA-N 0 0 243.350 3.562 20 30 BHEDRN C=CCCCCCNc1cc(C(F)F)ncn1 ZINC000894427011 583456367 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IKWLMOPICQTSSL-MUBLQREKSA-N 0 0 242.322 3.522 20 30 BHEDRN C=C/C=C\CCNc1ccccc1O[C@@H](C)C#N ZINC000902029670 584513540 /nfs/dbraw/zinc/51/35/40/584513540.db2.gz IKWLMOPICQTSSL-ZFDPJTLLSA-N 0 0 242.322 3.522 20 30 BHEDRN C#CCCNc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000902128835 584529627 /nfs/dbraw/zinc/52/96/27/584529627.db2.gz HJJUQAFFUXZKGS-LLVKDONJSA-N 0 0 245.219 3.695 20 30 BHEDRN C#CCCNc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000902128836 584529613 /nfs/dbraw/zinc/52/96/13/584529613.db2.gz HJJUQAFFUXZKGS-NSHDSACASA-N 0 0 245.219 3.695 20 30 BHEDRN C=CCNc1ccc([C@H](F)C(F)(F)F)cc1 ZINC000902130057 584529617 /nfs/dbraw/zinc/52/96/17/584529617.db2.gz OGMMAIIQSJUQKX-JTQLQIEISA-N 0 0 233.208 3.857 20 30 BHEDRN C=CCNc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC000902130153 584529605 /nfs/dbraw/zinc/52/96/05/584529605.db2.gz OGMMAIIQSJUQKX-SNVBAGLBSA-N 0 0 233.208 3.857 20 30 BHEDRN CC(F)(F)CCCON=Cc1cccs1 ZINC000902142473 584530170 /nfs/dbraw/zinc/53/01/70/584530170.db2.gz VLINZFLUZSHQCW-UHFFFAOYSA-N 0 0 233.283 3.534 20 30 BHEDRN CCCCCCCNc1ccc2c(c1)NC(=O)C2 ZINC000902187761 584533997 /nfs/dbraw/zinc/53/39/97/584533997.db2.gz XAVPZNLEPPXDLO-UHFFFAOYSA-N 0 0 246.354 3.564 20 30 BHEDRN C=CCCNc1cnn([C@H](C)CC)c1C1CC1 ZINC000902190446 584535696 /nfs/dbraw/zinc/53/56/96/584535696.db2.gz NNENBSPBHLGAGN-LLVKDONJSA-N 0 0 233.359 3.720 20 30 BHEDRN C=CCCNc1cnn([C@@H](C)CC)c1C1CC1 ZINC000902190447 584535807 /nfs/dbraw/zinc/53/58/07/584535807.db2.gz NNENBSPBHLGAGN-NSHDSACASA-N 0 0 233.359 3.720 20 30 BHEDRN C=C(C)CNc1cnn([C@H](C)CC)c1C1CC1 ZINC000902190619 584535812 /nfs/dbraw/zinc/53/58/12/584535812.db2.gz NUZDMVIMKNXIPQ-LLVKDONJSA-N 0 0 233.359 3.720 20 30 BHEDRN C=C(C)CNc1cnn([C@@H](C)CC)c1C1CC1 ZINC000902190620 584535699 /nfs/dbraw/zinc/53/56/99/584535699.db2.gz NUZDMVIMKNXIPQ-NSHDSACASA-N 0 0 233.359 3.720 20 30 BHEDRN C#CCCCNc1cnn([C@H](C)CC)c1C1CC1 ZINC000902193239 584535783 /nfs/dbraw/zinc/53/57/83/584535783.db2.gz RXGKSECFNAEDKK-GFCCVEGCSA-N 0 0 245.370 3.557 20 30 BHEDRN C#CCCCNc1cnn([C@@H](C)CC)c1C1CC1 ZINC000902193240 584535762 /nfs/dbraw/zinc/53/57/62/584535762.db2.gz RXGKSECFNAEDKK-LBPRGKRZSA-N 0 0 245.370 3.557 20 30 BHEDRN C=CCNc1ccccc1COC(C)(C)C ZINC000902219497 584539528 /nfs/dbraw/zinc/53/95/28/584539528.db2.gz VODOMHYTMNIRLR-UHFFFAOYSA-N 0 0 219.328 3.600 20 30 BHEDRN CC[C@@H](C)CNc1ccc(CCC#N)cc1 ZINC000902224906 584541441 /nfs/dbraw/zinc/54/14/41/584541441.db2.gz AKWMLGJERQMBPZ-GFCCVEGCSA-N 0 0 216.328 3.601 20 30 BHEDRN CC[C@H](C)CNc1ccc(CCC#N)cc1 ZINC000902224907 584541111 /nfs/dbraw/zinc/54/11/11/584541111.db2.gz AKWMLGJERQMBPZ-LBPRGKRZSA-N 0 0 216.328 3.601 20 30 BHEDRN C=C(CC)CNc1ccc(CCC#N)cc1 ZINC000902224960 584540989 /nfs/dbraw/zinc/54/09/89/584540989.db2.gz BSTKBRXCTBDBCZ-UHFFFAOYSA-N 0 0 214.312 3.521 20 30 BHEDRN CCCCCNc1ccc(CCC#N)cc1 ZINC000902224980 584541488 /nfs/dbraw/zinc/54/14/88/584541488.db2.gz CNZUBKCOADPTSA-UHFFFAOYSA-N 0 0 216.328 3.745 20 30 BHEDRN N#CCCc1ccc(NCCC(F)(F)F)cc1 ZINC000902225035 584541149 /nfs/dbraw/zinc/54/11/49/584541149.db2.gz BAHDXLPEOWYKQF-UHFFFAOYSA-N 0 0 242.244 3.507 20 30 BHEDRN C=C(C)CCNc1ccc(CCC#N)cc1 ZINC000902225430 584541203 /nfs/dbraw/zinc/54/12/03/584541203.db2.gz FKTVCODAIYJJOT-UHFFFAOYSA-N 0 0 214.312 3.521 20 30 BHEDRN CC(C)C[C@@H](C)Nc1ccc(CCC#N)cc1 ZINC000902225506 584541448 /nfs/dbraw/zinc/54/14/48/584541448.db2.gz CYPONPFPXGTPME-CYBMUJFWSA-N 0 0 230.355 3.989 20 30 BHEDRN CC(C)C[C@H](C)Nc1ccc(CCC#N)cc1 ZINC000902225507 584541042 /nfs/dbraw/zinc/54/10/42/584541042.db2.gz CYPONPFPXGTPME-ZDUSSCGKSA-N 0 0 230.355 3.989 20 30 BHEDRN N#CCCc1ccc(NCC2CCCC2)cc1 ZINC000902225757 584541344 /nfs/dbraw/zinc/54/13/44/584541344.db2.gz IQICQOWVMDSODT-UHFFFAOYSA-N 0 0 228.339 3.745 20 30 BHEDRN C=C/C=C\CCNc1ccc(CCC#N)cc1 ZINC000902226074 584541069 /nfs/dbraw/zinc/54/10/69/584541069.db2.gz HLWJGRNXYLTRKU-ARJAWSKDSA-N 0 0 226.323 3.687 20 30 BHEDRN C=C/C=C/CCNc1ccc(CCC#N)cc1 ZINC000902226075 584541425 /nfs/dbraw/zinc/54/14/25/584541425.db2.gz HLWJGRNXYLTRKU-ONEGZZNKSA-N 0 0 226.323 3.687 20 30 BHEDRN N#CCCc1ccc(NCCCC2CC2)cc1 ZINC000902226248 584541469 /nfs/dbraw/zinc/54/14/69/584541469.db2.gz IQHRJLSPHLPMLN-UHFFFAOYSA-N 0 0 228.339 3.745 20 30 BHEDRN CC(C)[C@@H](C)Nc1ccc(CCC#N)cc1 ZINC000902226992 584541065 /nfs/dbraw/zinc/54/10/65/584541065.db2.gz OLNMMAYCPVAZFX-GFCCVEGCSA-N 0 0 216.328 3.599 20 30 BHEDRN CC(C)[C@H](C)Nc1ccc(CCC#N)cc1 ZINC000902226993 584540980 /nfs/dbraw/zinc/54/09/80/584540980.db2.gz OLNMMAYCPVAZFX-LBPRGKRZSA-N 0 0 216.328 3.599 20 30 BHEDRN C#CCCCCCNc1ccc(CCC#N)cc1 ZINC000902227121 584541442 /nfs/dbraw/zinc/54/14/42/584541442.db2.gz PVJBXJUTALVEMQ-UHFFFAOYSA-N 0 0 240.350 3.748 20 30 BHEDRN N#CCCc1ccc(NCCCCCF)cc1 ZINC000902227242 584541154 /nfs/dbraw/zinc/54/11/54/584541154.db2.gz WKOILRWQJHHLCX-UHFFFAOYSA-N 0 0 234.318 3.694 20 30 BHEDRN CC(C)=CCNc1ccc(CCC#N)cc1 ZINC000902227311 584541135 /nfs/dbraw/zinc/54/11/35/584541135.db2.gz YHQUGJLBLICXBI-UHFFFAOYSA-N 0 0 214.312 3.521 20 30 BHEDRN N#CCCc1ccc(NCC2=CCCC2)cc1 ZINC000902227336 584541261 /nfs/dbraw/zinc/54/12/61/584541261.db2.gz RLZRKWHGGSZHJB-UHFFFAOYSA-N 0 0 226.323 3.665 20 30 BHEDRN N#CCCc1ccc(NC[C@@H]2C[C@H]3C[C@H]3C2)cc1 ZINC000902227432 584541076 /nfs/dbraw/zinc/54/10/76/584541076.db2.gz RTAKTRCXISXXGA-QDMKHBRRSA-N 0 0 240.350 3.601 20 30 BHEDRN N#CCCc1ccc(NCC2CC=CC2)cc1 ZINC000902227665 584541235 /nfs/dbraw/zinc/54/12/35/584541235.db2.gz VHHFJRIEEFDCOU-UHFFFAOYSA-N 0 0 226.323 3.521 20 30 BHEDRN CC(C)CCNc1ccc(CCC#N)cc1 ZINC000902227676 584541025 /nfs/dbraw/zinc/54/10/25/584541025.db2.gz CQSPINYLQTYWBU-UHFFFAOYSA-N 0 0 216.328 3.601 20 30 BHEDRN C=CCCCCNc1ccc(CCC#N)cc1 ZINC000902228034 584541928 /nfs/dbraw/zinc/54/19/28/584541928.db2.gz ZDZULVOBBOYCCC-UHFFFAOYSA-N 0 0 228.339 3.911 20 30 BHEDRN CC[C@@H]1C[C@H]1CNc1ccc(CCC#N)cc1 ZINC000902228048 584541710 /nfs/dbraw/zinc/54/17/10/584541710.db2.gz ZNHOUYIIUVTHEY-KGLIPLIRSA-N 0 0 228.339 3.601 20 30 BHEDRN C=CCCCNc1ccc(CCC#N)cc1 ZINC000902228704 584541687 /nfs/dbraw/zinc/54/16/87/584541687.db2.gz OTAHNWGMMIDVCB-UHFFFAOYSA-N 0 0 214.312 3.521 20 30 BHEDRN Cc1ccc(SCC2CCC(C#N)CC2)nc1 ZINC000902293774 584548911 /nfs/dbraw/zinc/54/89/11/584548911.db2.gz PISWGTJOYXEDIG-UHFFFAOYSA-N 0 0 246.379 3.812 20 30 BHEDRN CCCCSCC1CCC(C#N)CC1 ZINC000902295004 637286816 /nfs/dbraw/zinc/28/68/16/637286816.db2.gz BHCRHYLQJLXIBS-UHFFFAOYSA-N 0 0 211.374 3.850 20 30 BHEDRN CC(C)CSCC1CCC(C#N)CC1 ZINC000902295535 584552823 /nfs/dbraw/zinc/55/28/23/584552823.db2.gz AYRNDZSWSPSEDC-UHFFFAOYSA-N 0 0 211.374 3.706 20 30 BHEDRN C/C=C\CSCC1CCC(C#N)CC1 ZINC000902324072 584560417 /nfs/dbraw/zinc/56/04/17/584560417.db2.gz ZIGHMTNBEMOXIL-IHWYPQMZSA-N 0 0 209.358 3.626 20 30 BHEDRN C/C=C/CSCC1CCC(C#N)CC1 ZINC000902324073 584560466 /nfs/dbraw/zinc/56/04/66/584560466.db2.gz ZIGHMTNBEMOXIL-NSCUHMNNSA-N 0 0 209.358 3.626 20 30 BHEDRN C=CCSC[C@H]1[C@H](c2ccccc2)C1(F)F ZINC000902327141 584560819 /nfs/dbraw/zinc/56/08/19/584560819.db2.gz VAFGCFNFKIGWLV-RYUDHWBXSA-N 0 0 240.318 3.955 20 30 BHEDRN C[C@@H](SCCOC1CC1)c1ccc(C#N)cc1 ZINC000902327877 584561227 /nfs/dbraw/zinc/56/12/27/584561227.db2.gz XTRBPAJUKPDMAW-LLVKDONJSA-N 0 0 247.363 3.531 20 30 BHEDRN C[C@H](SCCOC1CC1)c1ccc(C#N)cc1 ZINC000902327880 584561157 /nfs/dbraw/zinc/56/11/57/584561157.db2.gz XTRBPAJUKPDMAW-NSHDSACASA-N 0 0 247.363 3.531 20 30 BHEDRN C=CCCSC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000902328088 584560812 /nfs/dbraw/zinc/56/08/12/584560812.db2.gz AKYWLCGXRKEYCN-ILWJIGKKSA-N 0 0 218.312 3.587 20 30 BHEDRN C=CCCSCC1CCC(C#N)CC1 ZINC000902329283 584561896 /nfs/dbraw/zinc/56/18/96/584561896.db2.gz KKUBYLAVXCFPDE-UHFFFAOYSA-N 0 0 209.358 3.626 20 30 BHEDRN N#CC1CCC(CSCC2CCC2)CC1 ZINC000902332428 584563133 /nfs/dbraw/zinc/56/31/33/584563133.db2.gz UYNPIDWZHRUAAM-UHFFFAOYSA-N 0 0 223.385 3.850 20 30 BHEDRN C=C(C)CSCC1CCC(C#N)CC1 ZINC000902338448 584565739 /nfs/dbraw/zinc/56/57/39/584565739.db2.gz PKKRDMCPGBMVPR-UHFFFAOYSA-N 0 0 209.358 3.626 20 30 BHEDRN C=C(C)CSC[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000902338825 584556516 /nfs/dbraw/zinc/55/65/16/584556516.db2.gz SGXBOPVEDNSQTB-ILWJIGKKSA-N 0 0 218.312 3.587 20 30 BHEDRN C#CCCCSCCCC(C)(F)F ZINC000902351688 584569074 /nfs/dbraw/zinc/56/90/74/584569074.db2.gz QQTBPWSRCGGENE-UHFFFAOYSA-N 0 0 206.301 3.568 20 30 BHEDRN N#CC1CCC(CSCc2ccccn2)CC1 ZINC000902356655 584570167 /nfs/dbraw/zinc/57/01/67/584570167.db2.gz UGEAOYSOBYFBMU-UHFFFAOYSA-N 0 0 246.379 3.645 20 30 BHEDRN CC/C=C\CCSCc1cncc(C#N)c1 ZINC000902368765 637296726 /nfs/dbraw/zinc/29/67/26/637296726.db2.gz KQDFZJACWJCGHD-ARJAWSKDSA-N 0 0 232.352 3.543 20 30 BHEDRN CC/C=C/CCSCc1cncc(C#N)c1 ZINC000902368766 637297215 /nfs/dbraw/zinc/29/72/15/637297215.db2.gz KQDFZJACWJCGHD-ONEGZZNKSA-N 0 0 232.352 3.543 20 30 BHEDRN CC(C)(C)CCSCc1cncc(C#N)c1 ZINC000902369055 584566269 /nfs/dbraw/zinc/56/62/69/584566269.db2.gz LZYDXKNRIWJLJP-UHFFFAOYSA-N 0 0 234.368 3.623 20 30 BHEDRN N#CC1CCC(CSCCC2CC2)CC1 ZINC000902370610 584566387 /nfs/dbraw/zinc/56/63/87/584566387.db2.gz SYRGSCQMHQKTBV-UHFFFAOYSA-N 0 0 223.385 3.850 20 30 BHEDRN C[C@@H](SCCOC1CC1)c1cccc(C#N)c1 ZINC000902371095 584566317 /nfs/dbraw/zinc/56/63/17/584566317.db2.gz XEMKCBFLSSOWDP-LLVKDONJSA-N 0 0 247.363 3.531 20 30 BHEDRN C[C@H](SCCOC1CC1)c1cccc(C#N)c1 ZINC000902371096 584566309 /nfs/dbraw/zinc/56/63/09/584566309.db2.gz XEMKCBFLSSOWDP-NSHDSACASA-N 0 0 247.363 3.531 20 30 BHEDRN C=CCCCCCSCc1nncs1 ZINC000902379726 584569247 /nfs/dbraw/zinc/56/92/47/584569247.db2.gz GCCXGFFYVDZSGB-UHFFFAOYSA-N 0 0 228.386 3.518 20 30 BHEDRN CC[C@@H]1C[C@H]1CSCCC(C)(C)C#N ZINC000902386194 584578618 /nfs/dbraw/zinc/57/86/18/584578618.db2.gz DSSQIIPPZXSIOM-MNOVXSKESA-N 0 0 211.374 3.706 20 30 BHEDRN N#CC1CCC(CSCCCCF)CC1 ZINC000902386609 584579267 /nfs/dbraw/zinc/57/92/67/584579267.db2.gz BICDDJWHCUZTQW-UHFFFAOYSA-N 0 0 229.364 3.799 20 30 BHEDRN COC[C@H](CSCCC(C)(C)C#N)C(C)C ZINC000902387022 584578944 /nfs/dbraw/zinc/57/89/44/584578944.db2.gz KIOILVULOBRPBT-GFCCVEGCSA-N 0 0 243.416 3.578 20 30 BHEDRN COC[C@@H](CSCCC(C)(C)C#N)C(C)C ZINC000902387025 584579470 /nfs/dbraw/zinc/57/94/70/584579470.db2.gz KIOILVULOBRPBT-LBPRGKRZSA-N 0 0 243.416 3.578 20 30 BHEDRN C=C/C=C/CCSCCC(C)(C)C#N ZINC000902388445 584579706 /nfs/dbraw/zinc/57/97/06/584579706.db2.gz WNMIWSJYQVVOAE-AATRIKPKSA-N 0 0 209.358 3.792 20 30 BHEDRN C=C/C=C\CCSCCC(C)(C)C#N ZINC000902388446 584579974 /nfs/dbraw/zinc/57/99/74/584579974.db2.gz WNMIWSJYQVVOAE-WAYWQWQTSA-N 0 0 209.358 3.792 20 30 BHEDRN N#CC1CCC(CSCc2cccnc2)CC1 ZINC000902388504 584580010 /nfs/dbraw/zinc/58/00/10/584580010.db2.gz YMYLIKOIVPOYGQ-UHFFFAOYSA-N 0 0 246.379 3.645 20 30 BHEDRN C=CCCCCSCc1cc(C)nnc1C ZINC000902399240 584585878 /nfs/dbraw/zinc/58/58/78/584585878.db2.gz AYNKTMUCVQTTHH-UHFFFAOYSA-N 0 0 236.384 3.683 20 30 BHEDRN C=CCCCCSC[C@H]1C[C@@]12CCOC2 ZINC000902399245 584586123 /nfs/dbraw/zinc/58/61/23/584586123.db2.gz BBVWHJUVISRUFV-CHWSQXEVSA-N 0 0 226.385 3.503 20 30 BHEDRN C=CCCCCSC[C@H]1C[C@]12CCOC2 ZINC000902399246 584585801 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ZINC000912962413 640255252 /nfs/dbraw/zinc/25/52/52/640255252.db2.gz VSRYQDPUVCJYFX-UHFFFAOYSA-N 0 0 244.342 3.545 20 30 BHEDRN CC(C)=CCC[C@@H](C)CCN=Nc1cnccn1 ZINC000912962420 640254595 /nfs/dbraw/zinc/25/45/95/640254595.db2.gz VXCURXOREGNZRV-CYBMUJFWSA-N 0 0 246.358 3.647 20 30 BHEDRN CC(C)=CCC[C@H](C)CCN=Nc1cnccn1 ZINC000912962421 640255306 /nfs/dbraw/zinc/25/53/06/640255306.db2.gz VXCURXOREGNZRV-ZDUSSCGKSA-N 0 0 246.358 3.647 20 30 BHEDRN CCCCCCCC(C)N=Nc1cnccn1 ZINC000912962510 640255003 /nfs/dbraw/zinc/25/50/03/640255003.db2.gz RAMGGIZXYRPRAZ-UHFFFAOYSA-N 0 0 234.347 3.625 20 30 BHEDRN CC(C)=CCCC(C)C=CN=Nc1ncccn1 ZINC000912973387 640271573 /nfs/dbraw/zinc/27/15/73/640271573.db2.gz XXHPPWAWDCFJTO-BYWKLKQTSA-N 0 0 244.342 3.567 20 30 BHEDRN CC(C)=CCCC(C)C=CN=Nc1ncccn1 ZINC000912973388 640270232 /nfs/dbraw/zinc/27/02/32/640270232.db2.gz XXHPPWAWDCFJTO-GBQPSVCWSA-N 0 0 244.342 3.567 20 30 BHEDRN CC(C)=CCC[C@@H](C)CCN=Nc1ncccn1 ZINC000912974105 640260062 /nfs/dbraw/zinc/26/00/62/640260062.db2.gz LAMPMMGLRUSQHN-CYBMUJFWSA-N 0 0 246.358 3.647 20 30 BHEDRN CC(C)=CCC[C@H](C)CCN=Nc1ncccn1 ZINC000912974106 640259570 /nfs/dbraw/zinc/25/95/70/640259570.db2.gz LAMPMMGLRUSQHN-ZDUSSCGKSA-N 0 0 246.358 3.647 20 30 BHEDRN CCCCCC1=C(N=Nc2ncccn2)CCC1 ZINC000912974266 640259431 /nfs/dbraw/zinc/25/94/31/640259431.db2.gz PXPUUOSBJNYQKM-UHFFFAOYSA-N 0 0 244.342 3.545 20 30 BHEDRN CCCCCCCC(C)N=Nc1ncccn1 ZINC000912974469 640259865 /nfs/dbraw/zinc/25/98/65/640259865.db2.gz XPIJEZQPVOFEER-UHFFFAOYSA-N 0 0 234.347 3.625 20 30 BHEDRN C=CC[C@@H]1CCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC000912984414 640262889 /nfs/dbraw/zinc/26/28/89/640262889.db2.gz PYBSDLRMRDHGRE-CABCVRRESA-N 0 0 247.382 3.548 20 30 BHEDRN C=CC[C@H]1CCN(C(=O)[C@H]2CCC=CCCC2)C1 ZINC000912984415 640262091 /nfs/dbraw/zinc/26/20/91/640262091.db2.gz PYBSDLRMRDHGRE-GJZGRUSLSA-N 0 0 247.382 3.548 20 30 BHEDRN C=CC[C@@H]1CCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000912984416 640262261 /nfs/dbraw/zinc/26/22/61/640262261.db2.gz PYBSDLRMRDHGRE-HUUCEWRRSA-N 0 0 247.382 3.548 20 30 BHEDRN C=CC[C@H]1CCN(C(=O)[C@@H]2CCC=CCCC2)C1 ZINC000912984417 640262999 /nfs/dbraw/zinc/26/29/99/640262999.db2.gz PYBSDLRMRDHGRE-LSDHHAIUSA-N 0 0 247.382 3.548 20 30 BHEDRN C/C=C/C=C\C(=O)NCCCCCCCCC ZINC000913037203 640289831 /nfs/dbraw/zinc/28/98/31/640289831.db2.gz JNOISAPWONPCSH-DVFXTYPQSA-N 0 0 237.387 3.986 20 30 BHEDRN C/C=C/C=C/C(=O)NCCCCCCCCC ZINC000913037204 640289616 /nfs/dbraw/zinc/28/96/16/640289616.db2.gz JNOISAPWONPCSH-OACCZNHXSA-N 0 0 237.387 3.986 20 30 BHEDRN CCCCCCCCCNC(=O)C=C(C)C ZINC000913037259 640288897 /nfs/dbraw/zinc/28/88/97/640288897.db2.gz WBSSGGTWVKPXHY-UHFFFAOYSA-N 0 0 225.376 3.819 20 30 BHEDRN C=C(C)CNc1cccc(OC2CCCC2)c1 ZINC000913071818 640291364 /nfs/dbraw/zinc/29/13/64/640291364.db2.gz DYIOUGYHWDVIKE-UHFFFAOYSA-N 0 0 231.339 3.996 20 30 BHEDRN C=C(C)COC(=O)c1cccc2c(C)c(C)[nH]c21 ZINC000913334526 640354414 /nfs/dbraw/zinc/35/44/14/640354414.db2.gz ZVKPWJQDZYBUKF-UHFFFAOYSA-N 0 0 243.306 3.518 20 30 BHEDRN C=C(Cl)CSCCOc1cccc(C)c1 ZINC000913396014 640365303 /nfs/dbraw/zinc/36/53/03/640365303.db2.gz DCRDDPPQQAENKC-UHFFFAOYSA-N 0 0 242.771 3.860 20 30 BHEDRN C=C(Cl)CSCc1ccc(OC)c(F)c1 ZINC000913396020 640366057 /nfs/dbraw/zinc/36/60/57/640366057.db2.gz DOBFCCVXFSWFGM-UHFFFAOYSA-N 0 0 246.734 3.820 20 30 BHEDRN C=C(Cl)CSCCc1ccc(OC)cc1 ZINC000913396107 640365086 /nfs/dbraw/zinc/36/50/86/640365086.db2.gz JWFYZMNPAIQLBD-UHFFFAOYSA-N 0 0 242.771 3.723 20 30 BHEDRN C=C(Cl)CSCc1ccccc1C#N ZINC000913396144 640365867 /nfs/dbraw/zinc/36/58/67/640365867.db2.gz MFFHRYYVOIGGPY-UHFFFAOYSA-N 0 0 223.728 3.544 20 30 BHEDRN C=C(Cl)CSCCOc1ccccc1C ZINC000913396171 640365964 /nfs/dbraw/zinc/36/59/64/640365964.db2.gz OGEGAPRMCHUDIK-UHFFFAOYSA-N 0 0 242.771 3.860 20 30 BHEDRN C=C(Cl)CSCCOc1ccc(F)cc1 ZINC000913396187 640364877 /nfs/dbraw/zinc/36/48/77/640364877.db2.gz PHRXNVQIKOCUKM-UHFFFAOYSA-N 0 0 246.734 3.690 20 30 BHEDRN C=C(Cl)CSCc1cccc(F)c1F ZINC000913396211 640365812 /nfs/dbraw/zinc/36/58/12/640365812.db2.gz RLPLGQPNSPCKAF-UHFFFAOYSA-N 0 0 234.698 3.951 20 30 BHEDRN C=C(Cl)CSCc1cc(C)ccc1OC ZINC000913396216 640366045 /nfs/dbraw/zinc/36/60/45/640366045.db2.gz SCQPRDZHKMATPT-UHFFFAOYSA-N 0 0 242.771 3.989 20 30 BHEDRN C=C(Cl)CSCc1ccc(F)c(F)c1 ZINC000913396230 640365857 /nfs/dbraw/zinc/36/58/57/640365857.db2.gz SLUBYFJNDAYZOX-UHFFFAOYSA-N 0 0 234.698 3.951 20 30 BHEDRN C=C(Cl)CSCc1nc2ccccc2[nH]1 ZINC000913396233 640366221 /nfs/dbraw/zinc/36/62/21/640366221.db2.gz SRBOHLSNSVMLFZ-UHFFFAOYSA-N 0 0 238.743 3.549 20 30 BHEDRN C=C(Cl)CSCc1cccc([N+](=O)[O-])c1 ZINC000913396283 640365259 /nfs/dbraw/zinc/36/52/59/640365259.db2.gz WAYAGBKFGIFWPQ-UHFFFAOYSA-N 0 0 243.715 3.581 20 30 BHEDRN C=C(Cl)CSCCCOc1ccccc1 ZINC000913396322 640365017 /nfs/dbraw/zinc/36/50/17/640365017.db2.gz YMORFSARJAOEPL-UHFFFAOYSA-N 0 0 242.771 3.941 20 30 BHEDRN C=C(Cl)CSCCOc1ccccc1F ZINC000913396328 640365034 /nfs/dbraw/zinc/36/50/34/640365034.db2.gz ZCPPCDLSRVPPGC-UHFFFAOYSA-N 0 0 246.734 3.690 20 30 BHEDRN CCCCCCCCCNC(=O)N1CCCC1 ZINC000914462902 641716702 /nfs/dbraw/zinc/71/67/02/641716702.db2.gz GPTZCTCQFCKUEO-UHFFFAOYSA-N 0 0 240.391 3.542 20 30 BHEDRN CCCCCCCC(=O)NCCCC(C)C ZINC000914495130 641724290 /nfs/dbraw/zinc/72/42/90/641724290.db2.gz IAUZAFVGQVQNLW-UHFFFAOYSA-N 0 0 227.392 3.899 20 30 BHEDRN CCCCCCCCC(=O)N(CC)CCC ZINC000914500801 641724254 /nfs/dbraw/zinc/72/42/54/641724254.db2.gz OUUOMPZQSKXGMS-UHFFFAOYSA-N 0 0 227.392 3.996 20 30 BHEDRN CCCCCCCC(=O)N(CC)CCC ZINC000914500865 641724320 /nfs/dbraw/zinc/72/43/20/641724320.db2.gz WAAIITCDDIQJHE-UHFFFAOYSA-N 0 0 213.365 3.605 20 30 BHEDRN CCCCCCCC(=O)N(C)CCC(C)C ZINC000914500942 641725268 /nfs/dbraw/zinc/72/52/68/641725268.db2.gz CFKKLBNAJNWKRR-UHFFFAOYSA-N 0 0 227.392 3.851 20 30 BHEDRN CCCCCCCC(=O)N(CC)CC(C)C ZINC000914505062 641726836 /nfs/dbraw/zinc/72/68/36/641726836.db2.gz LMIRBUIMECBTSL-UHFFFAOYSA-N 0 0 227.392 3.851 20 30 BHEDRN CCOc1cccc(/C=N/CCCC(C)C)c1O ZINC000914558312 641735510 /nfs/dbraw/zinc/73/55/10/641735510.db2.gz SSGITNJCMNBHAF-LFIBNONCSA-N 0 0 249.354 3.646 20 30 BHEDRN CCOc1cccc(/C=N\CCCC(C)C)c1O ZINC000914558313 641735011 /nfs/dbraw/zinc/73/50/11/641735011.db2.gz SSGITNJCMNBHAF-WJDWOHSUSA-N 0 0 249.354 3.646 20 30 BHEDRN C=CCOC(=O)c1cc2ccc(C(C)C)cc2[nH]1 ZINC000914593273 641739805 /nfs/dbraw/zinc/73/98/05/641739805.db2.gz QOEHUSPGAWCARS-UHFFFAOYSA-N 0 0 243.306 3.634 20 30 BHEDRN C=CCN(C(=O)c1ccc(C(C)C)cc1)C(C)C ZINC000914683055 641750339 /nfs/dbraw/zinc/75/03/39/641750339.db2.gz CTGJWFLSWGGKEJ-UHFFFAOYSA-N 0 0 245.366 3.847 20 30 BHEDRN C=CCN(C(=O)CCC1CCCCC1)C(C)C ZINC000914683108 641750975 /nfs/dbraw/zinc/75/09/75/641750975.db2.gz GHGVMPZZIMRCNK-UHFFFAOYSA-N 0 0 237.387 3.770 20 30 BHEDRN CCC(C)=NNCc1ccc(Cl)cc1Cl ZINC000914696370 641753003 /nfs/dbraw/zinc/75/30/03/641753003.db2.gz CEQZCSKFHDATBO-UHFFFAOYSA-N 0 0 245.153 3.869 20 30 BHEDRN Oc1ccc(Cl)cc1/C=N\CC1CCCC1 ZINC000914701768 641754051 /nfs/dbraw/zinc/75/40/51/641754051.db2.gz OZIZKPOVAYSWAW-DHDCSXOGSA-N 0 0 237.730 3.655 20 30 BHEDRN Oc1ccc(Cl)cc1/C=N/CC1CCCC1 ZINC000914701769 641754619 /nfs/dbraw/zinc/75/46/19/641754619.db2.gz OZIZKPOVAYSWAW-OQLLNIDSSA-N 0 0 237.730 3.655 20 30 BHEDRN CCCCCCCC(=O)NCC1CCCC1 ZINC000914736119 641758573 /nfs/dbraw/zinc/75/85/73/641758573.db2.gz HCXHRTHHENIXLY-UHFFFAOYSA-N 0 0 225.376 3.653 20 30 BHEDRN CCCCCCCCCNC(=O)CC1CC1 ZINC000914756770 641761121 /nfs/dbraw/zinc/76/11/21/641761121.db2.gz XENDPCWVRRZYGN-UHFFFAOYSA-N 0 0 225.376 3.653 20 30 BHEDRN CON=C(C)c1ccc(-c2ccccc2F)s1 ZINC000914773313 641763253 /nfs/dbraw/zinc/76/32/53/641763253.db2.gz DZFNCECUEDCPFV-UHFFFAOYSA-N 0 0 249.310 3.925 20 30 BHEDRN C=C(C)CNC(=S)Nc1ccccc1CCC ZINC000914774220 641762835 /nfs/dbraw/zinc/76/28/35/641762835.db2.gz NGBYKYYTSKHOMZ-UHFFFAOYSA-N 0 0 248.395 3.502 20 30 BHEDRN C=C(C)COC(=O)c1cc2ccc(Cl)cc2[nH]1 ZINC000914924934 641781290 /nfs/dbraw/zinc/78/12/90/641781290.db2.gz SJWZMVHWWLTRIK-UHFFFAOYSA-N 0 0 249.697 3.554 20 30 BHEDRN CCCC(C)N=Nc1ncccc1C(F)(F)F ZINC000915050250 641794305 /nfs/dbraw/zinc/79/43/05/641794305.db2.gz IECJIMLIJNKFOG-UHFFFAOYSA-N 0 0 245.248 3.688 20 30 BHEDRN CC(C)CCN=Nc1ncccc1C(F)(F)F ZINC000915050660 641794289 /nfs/dbraw/zinc/79/42/89/641794289.db2.gz YGBAABFZZPSRPG-UHFFFAOYSA-N 0 0 245.248 3.544 20 30 BHEDRN CCC(CC)N=Nc1ncccc1C(F)(F)F ZINC000915050744 641794461 /nfs/dbraw/zinc/79/44/61/641794461.db2.gz ALRPZCDZTIUXKV-UHFFFAOYSA-N 0 0 245.248 3.688 20 30 BHEDRN CCC(C)N=Nc1cccc(Cl)c1C ZINC000915050770 641793778 /nfs/dbraw/zinc/79/37/78/641793778.db2.gz BNCGBDJROAFJAE-UHFFFAOYSA-N 0 0 210.708 3.846 20 30 BHEDRN CC(=NNc1cccc(Cl)c1C)c1ccc[nH]1 ZINC000915051006 641796408 /nfs/dbraw/zinc/79/64/08/641796408.db2.gz JHASSKGNSPXOKG-UHFFFAOYSA-N 0 0 247.729 3.813 20 30 BHEDRN Cc1c(Cl)cccc1NN=Cc1ccco1 ZINC000915051126 641795439 /nfs/dbraw/zinc/79/54/39/641795439.db2.gz LRKBTXQWCVHXOG-UHFFFAOYSA-N 0 0 234.686 3.687 20 30 BHEDRN CC(C)C(C)N=Nc1ncccc1C(F)(F)F ZINC000915051140 641796816 /nfs/dbraw/zinc/79/68/16/641796816.db2.gz MDKXVPXVDMWBSK-UHFFFAOYSA-N 0 0 245.248 3.544 20 30 BHEDRN CCc1ccccc1N=NC1CCCC1 ZINC000915051262 641796836 /nfs/dbraw/zinc/79/68/36/641796836.db2.gz BGSNTWMWDCBXKN-UHFFFAOYSA-N 0 0 202.301 3.591 20 30 BHEDRN CCc1ccccc1NN=Cc1cccc(C#N)c1 ZINC000915051575 641795691 /nfs/dbraw/zinc/79/56/91/641795691.db2.gz HYSDHPINHCPCEE-UHFFFAOYSA-N 0 0 249.317 3.567 20 30 BHEDRN CCc1ccccc1NN=Cc1cc(C)[nH]c1C ZINC000915051607 641796522 /nfs/dbraw/zinc/79/65/22/641796522.db2.gz JKKWWCCLQYPOBA-UHFFFAOYSA-N 0 0 241.338 3.640 20 30 BHEDRN CCc1ccccc1NN=Cc1cccc(F)c1 ZINC000915051618 641795758 /nfs/dbraw/zinc/79/57/58/641795758.db2.gz KDTQJVRCYGBCOM-UHFFFAOYSA-N 0 0 242.297 3.834 20 30 BHEDRN CCc1ccccc1NN=Cc1ccccc1F ZINC000915051732 641796455 /nfs/dbraw/zinc/79/64/55/641796455.db2.gz PEKWBSGFQPKMCR-UHFFFAOYSA-N 0 0 242.297 3.834 20 30 BHEDRN CCc1ccccc1NN=Cc1cccs1 ZINC000915051748 641796385 /nfs/dbraw/zinc/79/63/85/641796385.db2.gz PWFRHJNGGUEIDI-UHFFFAOYSA-N 0 0 230.336 3.757 20 30 BHEDRN CCc1ccccc1NN=Cc1ccc(C)o1 ZINC000915051750 641795781 /nfs/dbraw/zinc/79/57/81/641795781.db2.gz PYDYHRDCEAKQHE-UHFFFAOYSA-N 0 0 228.295 3.596 20 30 BHEDRN CCc1ccccc1NN=Cc1ccccc1 ZINC000915051755 641796829 /nfs/dbraw/zinc/79/68/29/641796829.db2.gz QCQZYGUSCZVLLR-UHFFFAOYSA-N 0 0 224.307 3.695 20 30 BHEDRN CCc1ccccc1NN=Cc1ccc(F)cc1 ZINC000915051805 641796533 /nfs/dbraw/zinc/79/65/33/641796533.db2.gz SNXAMBXLZGQYRR-UHFFFAOYSA-N 0 0 242.297 3.834 20 30 BHEDRN CCc1ccccc1NN=Cc1ccc(C#N)cc1 ZINC000915051817 641795503 /nfs/dbraw/zinc/79/55/03/641795503.db2.gz TYCBQVCIWYDGPF-UHFFFAOYSA-N 0 0 249.317 3.567 20 30 BHEDRN CCc1ccccc1NN=Cc1ccsc1 ZINC000915051839 641796634 /nfs/dbraw/zinc/79/66/34/641796634.db2.gz UTULNZNPCNFTRQ-UHFFFAOYSA-N 0 0 230.336 3.757 20 30 BHEDRN CCc1ccccc1N=NC(CC)CC ZINC000915051886 641796774 /nfs/dbraw/zinc/79/67/74/641796774.db2.gz XHTVINWRKPJVBX-UHFFFAOYSA-N 0 0 204.317 3.837 20 30 BHEDRN CCc1ccccc1NN=C(C)c1ccc(C)o1 ZINC000915051915 641796739 /nfs/dbraw/zinc/79/67/39/641796739.db2.gz YXKAONKRTXIXJP-UHFFFAOYSA-N 0 0 242.322 3.987 20 30 BHEDRN Cc1ccc(/C=C/C(=O)c2scnc2C)s1 ZINC000915054205 641796680 /nfs/dbraw/zinc/79/66/80/641796680.db2.gz PJCZGFQQFBFVAU-AATRIKPKSA-N 0 0 249.360 3.718 20 30 BHEDRN Cc1ccc(/C=C\C(=O)c2scnc2C)s1 ZINC000915054206 641796334 /nfs/dbraw/zinc/79/63/34/641796334.db2.gz PJCZGFQQFBFVAU-WAYWQWQTSA-N 0 0 249.360 3.718 20 30 BHEDRN Cc1ncsc1C(=O)/C=C/c1ccc(C)cc1 ZINC000915054233 641796599 /nfs/dbraw/zinc/79/65/99/641796599.db2.gz RPMKUSSIDBAMCF-BQYQJAHWSA-N 0 0 243.331 3.656 20 30 BHEDRN Cc1ncsc1C(=O)/C=C\c1ccc(C)cc1 ZINC000915054234 641796239 /nfs/dbraw/zinc/79/62/39/641796239.db2.gz RPMKUSSIDBAMCF-FPLPWBNLSA-N 0 0 243.331 3.656 20 30 BHEDRN CCCCCCCC(=O)N(CC1CC1)C(C)C ZINC000915055419 641796330 /nfs/dbraw/zinc/79/63/30/641796330.db2.gz MRMLYDAQBKCDDJ-UHFFFAOYSA-N 0 0 239.403 3.994 20 30 BHEDRN C=C(Cl)CN(CC)Cc1ccccc1C ZINC000915058431 641798683 /nfs/dbraw/zinc/79/86/83/641798683.db2.gz ZFWZTUWHQQRVKX-UHFFFAOYSA-N 0 0 223.747 3.569 20 30 BHEDRN CCCCCCCCC(=O)NCC1CCC1 ZINC000915073842 641797919 /nfs/dbraw/zinc/79/79/19/641797919.db2.gz OJICLXHDHSZPAO-UHFFFAOYSA-N 0 0 225.376 3.653 20 30 BHEDRN CCCCCCCC(=O)N1CCC[C@H](CC)C1 ZINC000915078586 641798362 /nfs/dbraw/zinc/79/83/62/641798362.db2.gz NGTJJKGGTZJFML-AWEZNQCLSA-N 0 0 239.403 3.996 20 30 BHEDRN CCCCCCCC(=O)N1CCC[C@@H](CC)C1 ZINC000915078587 641797242 /nfs/dbraw/zinc/79/72/42/641797242.db2.gz NGTJJKGGTZJFML-CQSZACIVSA-N 0 0 239.403 3.996 20 30 BHEDRN CCCCCCCC(=O)N(C)[C@H](C)C(C)C ZINC000915079921 641800324 /nfs/dbraw/zinc/80/03/24/641800324.db2.gz HQORSJTUBMBKJX-CYBMUJFWSA-N 0 0 227.392 3.850 20 30 BHEDRN CCCCCCCC(=O)N(C)[C@@H](C)C(C)C ZINC000915079922 641800003 /nfs/dbraw/zinc/80/00/03/641800003.db2.gz HQORSJTUBMBKJX-ZDUSSCGKSA-N 0 0 227.392 3.850 20 30 BHEDRN CCCCCCCC(=O)NCCC(C)(C)C ZINC000915080245 641799604 /nfs/dbraw/zinc/79/96/04/641799604.db2.gz TTWVHZWLFUNDSB-UHFFFAOYSA-N 0 0 227.392 3.899 20 30 BHEDRN CCCCCCCC(=O)N(C)[C@H](C)CCC ZINC000915097212 641800437 /nfs/dbraw/zinc/80/04/37/641800437.db2.gz COOXPXFQSJYWJR-CYBMUJFWSA-N 0 0 227.392 3.994 20 30 BHEDRN CCCCCCCC(=O)N(C)[C@@H](C)CCC ZINC000915097213 641799674 /nfs/dbraw/zinc/79/96/74/641799674.db2.gz COOXPXFQSJYWJR-ZDUSSCGKSA-N 0 0 227.392 3.994 20 30 BHEDRN CC(=NNc1ccc(C)cc1)c1scnc1C ZINC000915110098 641800385 /nfs/dbraw/zinc/80/03/85/641800385.db2.gz MQVUJEJKYPHNNW-UHFFFAOYSA-N 0 0 245.351 3.596 20 30 BHEDRN CC(=NNc1cccc(C)c1)c1scnc1C ZINC000915110384 641799815 /nfs/dbraw/zinc/79/98/15/641799815.db2.gz UEJICMMEMMTVHK-UHFFFAOYSA-N 0 0 245.351 3.596 20 30 BHEDRN CCON=C(C)c1sc(C(C)(C)C)nc1C ZINC000915111956 641801053 /nfs/dbraw/zinc/80/10/53/641801053.db2.gz RIALZXOWTYRXBQ-UHFFFAOYSA-N 0 0 240.372 3.510 20 30 BHEDRN CC[C@@H]1CCCC[C@@H]1/N=C/c1ccccc1O ZINC000915113219 641801246 /nfs/dbraw/zinc/80/12/46/641801246.db2.gz RNESNISSDLAQGB-DMOJTXGPSA-N 0 0 231.339 3.780 20 30 BHEDRN CC[C@@H]1CCCC[C@H]1/N=C\c1ccccc1O ZINC000915113220 641801633 /nfs/dbraw/zinc/80/16/33/641801633.db2.gz RNESNISSDLAQGB-QVIPLJFQSA-N 0 0 231.339 3.780 20 30 BHEDRN CC[C@@H]1CCCC[C@H]1/N=C/c1ccccc1O ZINC000915113221 641801169 /nfs/dbraw/zinc/80/11/69/641801169.db2.gz RNESNISSDLAQGB-XWIFYCKRSA-N 0 0 231.339 3.780 20 30 BHEDRN CC[C@@H]1CCCC[C@@H]1/N=C\c1ccccc1O ZINC000915113222 641801547 /nfs/dbraw/zinc/80/15/47/641801547.db2.gz RNESNISSDLAQGB-ZRIJEWCQSA-N 0 0 231.339 3.780 20 30 BHEDRN C=CCN(C(=O)C[C@H](C)c1ccccc1)C(C)C ZINC000915147798 641804146 /nfs/dbraw/zinc/80/41/46/641804146.db2.gz KZAKRWZOXAQBHR-AWEZNQCLSA-N 0 0 245.366 3.603 20 30 BHEDRN C=CCN(C(=O)C[C@@H](C)c1ccccc1)C(C)C ZINC000915147799 641804880 /nfs/dbraw/zinc/80/48/80/641804880.db2.gz KZAKRWZOXAQBHR-CQSZACIVSA-N 0 0 245.366 3.603 20 30 BHEDRN C=CCN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)C(C)C ZINC000915153436 641806069 /nfs/dbraw/zinc/80/60/69/641806069.db2.gz LJVLIVBYLANFSK-KBPBESRZSA-N 0 0 249.398 3.648 20 30 BHEDRN C=CCN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)C(C)C ZINC000915153437 641805370 /nfs/dbraw/zinc/80/53/70/641805370.db2.gz LJVLIVBYLANFSK-KGLIPLIRSA-N 0 0 249.398 3.648 20 30 BHEDRN C=CCN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)C(C)C ZINC000915153438 641806255 /nfs/dbraw/zinc/80/62/55/641806255.db2.gz LJVLIVBYLANFSK-UONOGXRCSA-N 0 0 249.398 3.648 20 30 BHEDRN C=CCN(C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)C(C)C ZINC000915153439 641805753 /nfs/dbraw/zinc/80/57/53/641805753.db2.gz LJVLIVBYLANFSK-ZIAGYGMSSA-N 0 0 249.398 3.648 20 30 BHEDRN C=CCN(C(=O)CCCCCCC)C(C)C ZINC000915155610 641806145 /nfs/dbraw/zinc/80/61/45/641806145.db2.gz ZETIYEXODYZLAE-UHFFFAOYSA-N 0 0 225.376 3.770 20 30 BHEDRN C=C(C)CNc1cccc(OCC(F)(F)F)c1 ZINC000915214484 641809451 /nfs/dbraw/zinc/80/94/51/641809451.db2.gz NUPQDAVWYAFKQZ-UHFFFAOYSA-N 0 0 245.244 3.616 20 30 BHEDRN C=C(Cl)CSCCOc1cccc(F)c1 ZINC000915223239 641811628 /nfs/dbraw/zinc/81/16/28/641811628.db2.gz DLBJMWWYYJDUCC-UHFFFAOYSA-N 0 0 246.734 3.690 20 30 BHEDRN CCCCCCCCC(=O)NC[C@H]1C[C@H]1C ZINC000915289778 641816683 /nfs/dbraw/zinc/81/66/83/641816683.db2.gz GCSJRVSDUVFBFS-CHWSQXEVSA-N 0 0 225.376 3.509 20 30 BHEDRN CCCCCCCCC(=O)NC[C@@H]1C[C@H]1C ZINC000915289779 641817213 /nfs/dbraw/zinc/81/72/13/641817213.db2.gz GCSJRVSDUVFBFS-OLZOCXBDSA-N 0 0 225.376 3.509 20 30 BHEDRN CCCCCCCCC(=O)NC[C@H]1C[C@@H]1C ZINC000915289780 641817664 /nfs/dbraw/zinc/81/76/64/641817664.db2.gz GCSJRVSDUVFBFS-QWHCGFSZSA-N 0 0 225.376 3.509 20 30 BHEDRN CCCCCCCCC(=O)NC[C@@H]1C[C@@H]1C ZINC000915289781 641816936 /nfs/dbraw/zinc/81/69/36/641816936.db2.gz GCSJRVSDUVFBFS-STQMWFEESA-N 0 0 225.376 3.509 20 30 BHEDRN CCCCCCCCCC(=O)NC[C@@H]1C[C@@H]1C ZINC000915289923 641817726 /nfs/dbraw/zinc/81/77/26/641817726.db2.gz KDXPYIUDVYXCEY-KBPBESRZSA-N 0 0 239.403 3.899 20 30 BHEDRN CCCCCCCCCC(=O)NC[C@@H]1C[C@H]1C ZINC000915289924 641817525 /nfs/dbraw/zinc/81/75/25/641817525.db2.gz KDXPYIUDVYXCEY-KGLIPLIRSA-N 0 0 239.403 3.899 20 30 BHEDRN CCCCCCCCCC(=O)NC[C@H]1C[C@@H]1C ZINC000915289925 641817068 /nfs/dbraw/zinc/81/70/68/641817068.db2.gz KDXPYIUDVYXCEY-UONOGXRCSA-N 0 0 239.403 3.899 20 30 BHEDRN CCCCCCCCCC(=O)NC[C@H]1C[C@H]1C ZINC000915289927 641817161 /nfs/dbraw/zinc/81/71/61/641817161.db2.gz KDXPYIUDVYXCEY-ZIAGYGMSSA-N 0 0 239.403 3.899 20 30 BHEDRN CCCCCCCCCNC(=O)[C@@H](C)SC ZINC000915295339 641817101 /nfs/dbraw/zinc/81/71/01/641817101.db2.gz UZOCFLYSXBVTKN-GFCCVEGCSA-N 0 0 245.432 3.605 20 30 BHEDRN CCCCCCCCCNC(=O)[C@H](C)SC ZINC000915295340 641818605 /nfs/dbraw/zinc/81/86/05/641818605.db2.gz UZOCFLYSXBVTKN-LBPRGKRZSA-N 0 0 245.432 3.605 20 30 BHEDRN N#CC1CCC(CSCc2ccco2)CC1 ZINC000915588010 641840040 /nfs/dbraw/zinc/84/00/40/641840040.db2.gz MIYYQRYUSFQAQO-UHFFFAOYSA-N 0 0 235.352 3.843 20 30 BHEDRN N#CC1CCC(COc2ccccc2F)CC1 ZINC000915597661 711870099 /nfs/dbraw/zinc/87/00/99/711870099.db2.gz FCNRHECWRSRKRP-UHFFFAOYSA-N 0 0 233.286 3.534 20 30 BHEDRN N#CC1CCC(CSc2ccccn2)CC1 ZINC000915657610 641849805 /nfs/dbraw/zinc/84/98/05/641849805.db2.gz UPQLOXDRJIVNGW-UHFFFAOYSA-N 0 0 232.352 3.504 20 30 BHEDRN C=C(Cl)COc1ccccc1OCCC ZINC000915660654 641849740 /nfs/dbraw/zinc/84/97/40/641849740.db2.gz FTBAXLQQSNATGW-UHFFFAOYSA-N 0 0 226.703 3.607 20 30 BHEDRN C=CCc1ccc(OCC(=C)Cl)c(OC)c1 ZINC000915666774 641851029 /nfs/dbraw/zinc/85/10/29/641851029.db2.gz GENPTGOGVXGDBC-UHFFFAOYSA-N 0 0 238.714 3.555 20 30 BHEDRN C=CCc1ccccc1OCC(=C)Cl ZINC000915667886 641850965 /nfs/dbraw/zinc/85/09/65/641850965.db2.gz XWJSZTFMAIYWJM-UHFFFAOYSA-N 0 0 208.688 3.546 20 30 BHEDRN CCCCCCCCSc1ncccn1 ZINC000915790483 641859202 /nfs/dbraw/zinc/85/92/02/641859202.db2.gz IWBIGTITPBHQEK-UHFFFAOYSA-N 0 0 224.373 3.929 20 30 BHEDRN CCCCCCCCSc1nccn1C ZINC000915790532 641859048 /nfs/dbraw/zinc/85/90/48/641859048.db2.gz NXWWEDFJRWVPSK-UHFFFAOYSA-N 0 0 226.389 3.873 20 30 BHEDRN CCCCCCCSc1ncccn1 ZINC000915790546 641859331 /nfs/dbraw/zinc/85/93/31/641859331.db2.gz RUQNVTUPDJRRDQ-UHFFFAOYSA-N 0 0 210.346 3.539 20 30 BHEDRN CCCCCCCCCSc1nc[nH]n1 ZINC000915790999 641859539 /nfs/dbraw/zinc/85/95/39/641859539.db2.gz VLQJFWISDPEUPQ-UHFFFAOYSA-N 0 0 227.377 3.647 20 30 BHEDRN CCCCCCCSc1nnc2ccccn21 ZINC000915791878 641859114 /nfs/dbraw/zinc/85/91/14/641859114.db2.gz OVAFXWQRWFYWHJ-UHFFFAOYSA-N 0 0 249.383 3.792 20 30 BHEDRN CCCCCCCCSc1nncn1CC ZINC000915793859 641859277 /nfs/dbraw/zinc/85/92/77/641859277.db2.gz PAHKHBBHCIXBEP-UHFFFAOYSA-N 0 0 241.404 3.751 20 30 BHEDRN CCCCCCCSc1nccn1CC ZINC000915794306 641859130 /nfs/dbraw/zinc/85/91/30/641859130.db2.gz YYHALVLVCRENQC-UHFFFAOYSA-N 0 0 226.389 3.966 20 30 BHEDRN CCCCCCCCCn1nc(C)nc1C ZINC000915795158 641859638 /nfs/dbraw/zinc/85/96/38/641859638.db2.gz YMEIGTJFMKAFBQ-UHFFFAOYSA-N 0 0 223.364 3.646 20 30 BHEDRN CCCCCCCCCn1cnc([N+](=O)[O-])c1 ZINC000915795321 641859661 /nfs/dbraw/zinc/85/96/61/641859661.db2.gz FUCJIOHXHVYZJQ-UHFFFAOYSA-N 0 0 239.319 3.542 20 30 BHEDRN CCCCCCSc1nc(C)nc(C)c1C#N ZINC000915795705 641859813 /nfs/dbraw/zinc/85/98/13/641859813.db2.gz VRRPLUNFSAPAGI-UHFFFAOYSA-N 0 0 249.383 3.638 20 30 BHEDRN CCCCCCSc1ccc(C#N)cn1 ZINC000915795736 641859173 /nfs/dbraw/zinc/85/91/73/641859173.db2.gz XAAALKGELKJORE-UHFFFAOYSA-N 0 0 220.341 3.626 20 30 BHEDRN CCCCCCCCS[C@H](C)C(=O)OC ZINC000915795786 641859630 /nfs/dbraw/zinc/85/96/30/641859630.db2.gz YWICSHVLSLWDOQ-LLVKDONJSA-N 0 0 232.389 3.642 20 30 BHEDRN CCCCCCCCS[C@@H](C)C(=O)OC ZINC000915795787 641858852 /nfs/dbraw/zinc/85/88/52/641858852.db2.gz YWICSHVLSLWDOQ-NSHDSACASA-N 0 0 232.389 3.642 20 30 BHEDRN CCCCC(C)N=Nc1nc2ccccc2[nH]1 ZINC000915915674 641886461 /nfs/dbraw/zinc/88/64/61/641886461.db2.gz WPPRYADFCNSLAC-UHFFFAOYSA-N 0 0 230.315 3.541 20 30 BHEDRN CC(C)C(C)N=Nc1ccc(C(F)(F)F)cn1 ZINC000915917850 641886465 /nfs/dbraw/zinc/88/64/65/641886465.db2.gz QYOLEXXRLUXNLM-UHFFFAOYSA-N 0 0 245.248 3.544 20 30 BHEDRN CCCC(C)N=Nc1ccc(C(F)(F)F)cn1 ZINC000915917964 641885911 /nfs/dbraw/zinc/88/59/11/641885911.db2.gz WIFUUTYSPFJHKL-UHFFFAOYSA-N 0 0 245.248 3.688 20 30 BHEDRN Cc1ccc(C=NNc2ccccc2)cc1C ZINC000915933448 641888881 /nfs/dbraw/zinc/88/88/81/641888881.db2.gz WYEXAPFEPPAJLK-UHFFFAOYSA-N 0 0 224.307 3.749 20 30 BHEDRN Cc1ccc(C=NNc2ccc(F)cc2)cc1C ZINC000915934499 641888956 /nfs/dbraw/zinc/88/89/56/641888956.db2.gz GFFUCLFLXWHUDM-UHFFFAOYSA-N 0 0 242.297 3.889 20 30 BHEDRN Cc1cccc(NN=Cc2cc(F)ccc2F)c1 ZINC000915935442 641888982 /nfs/dbraw/zinc/88/89/82/641888982.db2.gz DNXVRSUBITWBOC-UHFFFAOYSA-N 0 0 246.260 3.719 20 30 BHEDRN Cc1ccc(C=Nn2cnc3ccccc32)cc1C ZINC000915957081 641887963 /nfs/dbraw/zinc/88/79/63/641887963.db2.gz MLEUKVILVXELEO-UHFFFAOYSA-N 0 0 249.317 3.535 20 30 BHEDRN CON=C(C)c1ccc(Oc2ccccc2)cc1 ZINC000915958051 641888034 /nfs/dbraw/zinc/88/80/34/641888034.db2.gz JSQVRAFIZKHROZ-UHFFFAOYSA-N 0 0 241.290 3.849 20 30 BHEDRN CCON=C(C)CC(C)(C)c1ccccc1 ZINC000915958135 641887893 /nfs/dbraw/zinc/88/78/93/641887893.db2.gz OEEKQBRRXWDYTA-UHFFFAOYSA-N 0 0 219.328 3.767 20 30 BHEDRN Cc1ccc(CN=Nc2ccccc2F)cc1C ZINC000915958144 641888353 /nfs/dbraw/zinc/88/83/53/641888353.db2.gz OSSIVVOCJJOHBD-UHFFFAOYSA-N 0 0 242.297 3.889 20 30 BHEDRN Cc1ccc(C=NNc2cccc(C#N)c2)cc1C ZINC000915958652 641888248 /nfs/dbraw/zinc/88/82/48/641888248.db2.gz PPPZJVJSQFPTBX-UHFFFAOYSA-N 0 0 249.317 3.621 20 30 BHEDRN Cc1ccc(C=NOCc2ccccc2)cc1C ZINC000915959644 641888044 /nfs/dbraw/zinc/88/80/44/641888044.db2.gz HILRKXROCWSDOU-UHFFFAOYSA-N 0 0 239.318 3.854 20 30 BHEDRN Fc1ccc(F)c(C=NOCc2ccccc2)c1 ZINC000915960139 641888329 /nfs/dbraw/zinc/88/83/29/641888329.db2.gz RJLQCFHFFGUGSW-UHFFFAOYSA-N 0 0 247.244 3.516 20 30 BHEDRN Cc1ccc(C)c(C=NNc2ccc(C#N)cc2)c1 ZINC000915961146 641892194 /nfs/dbraw/zinc/89/21/94/641892194.db2.gz ALMYCXUEMZUCHD-UHFFFAOYSA-N 0 0 249.317 3.621 20 30 BHEDRN CC(N=Nc1ccc(C#N)cc1)C1CCCCC1 ZINC000915961168 641892432 /nfs/dbraw/zinc/89/24/32/641892432.db2.gz ARIMJQFQDIUVPF-UHFFFAOYSA-N 0 0 241.338 3.926 20 30 BHEDRN CCCC(CCC)N=Nc1ccc(C#N)cc1 ZINC000915961267 641891976 /nfs/dbraw/zinc/89/19/76/641891976.db2.gz CVJUDGMFEZLGJB-UHFFFAOYSA-N 0 0 229.327 3.926 20 30 BHEDRN CCC(=NNc1ccc(C#N)cc1)c1ccccc1 ZINC000915961269 641892045 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ZINC000920382852 642485852 /nfs/dbraw/zinc/48/58/52/642485852.db2.gz PVWZOCVUDRJDSX-ZOIVUZSBSA-N 0 0 240.306 3.629 20 30 BHEDRN Fc1cccc(N=NC=CCc2ccccc2)c1 ZINC000920383186 642485268 /nfs/dbraw/zinc/48/52/68/642485268.db2.gz BMKZWMOXCJXSRN-HPQKFPEESA-N 0 0 240.281 3.937 20 30 BHEDRN Fc1cccc(N=NC=CCc2ccccc2)c1 ZINC000920383197 642486412 /nfs/dbraw/zinc/48/64/12/642486412.db2.gz BMKZWMOXCJXSRN-UKNXVJMESA-N 0 0 240.281 3.937 20 30 BHEDRN Cc1ccc(C=NNc2cccc(F)c2)s1 ZINC000920383220 642485470 /nfs/dbraw/zinc/48/54/70/642485470.db2.gz BVVKHVBVFMTCSS-UHFFFAOYSA-N 0 0 234.299 3.642 20 30 BHEDRN Fc1cccc(N=NCC2CCCCC2)c1 ZINC000920383229 642485009 /nfs/dbraw/zinc/48/50/09/642485009.db2.gz CBFBKYJTSVIIJZ-UHFFFAOYSA-N 0 0 220.291 3.804 20 30 BHEDRN CCc1ccc(C=NNc2cccc(F)c2)cc1 ZINC000920383534 642486357 /nfs/dbraw/zinc/48/63/57/642486357.db2.gz GOKDNTOBMYZMMY-UHFFFAOYSA-N 0 0 242.297 3.834 20 30 BHEDRN Cc1ccc(C)c(C=NNc2cccc(F)c2)c1 ZINC000920383584 642485368 /nfs/dbraw/zinc/48/53/68/642485368.db2.gz 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Cc1cccc(C=NNc2cccc(F)c2)c1 ZINC000920384112 642485614 /nfs/dbraw/zinc/48/56/14/642485614.db2.gz OZICEQZVIIUEOJ-UHFFFAOYSA-N 0 0 228.270 3.580 20 30 BHEDRN Fc1cccc(NN=Cc2ccccc2Cl)c1 ZINC000920384135 642486335 /nfs/dbraw/zinc/48/63/35/642486335.db2.gz PWYJXVSTTVHODJ-UHFFFAOYSA-N 0 0 248.688 3.925 20 30 BHEDRN Fc1cccc(NN=C2CCc3ccccc32)c1 ZINC000920384294 642485860 /nfs/dbraw/zinc/48/58/60/642485860.db2.gz QSLZOVHAGXNDOH-UHFFFAOYSA-N 0 0 240.281 3.588 20 30 BHEDRN CC(=NNc1cccc(F)c1)c1cccs1 ZINC000920384328 642486436 /nfs/dbraw/zinc/48/64/36/642486436.db2.gz RJTVACJRIXTOKA-UHFFFAOYSA-N 0 0 234.299 3.723 20 30 BHEDRN CC(=NNc1cccc(F)c1)c1cccc(C)c1 ZINC000920384341 642486603 /nfs/dbraw/zinc/48/66/03/642486603.db2.gz RRZSXYOLLGNDRY-UHFFFAOYSA-N 0 0 242.297 3.970 20 30 BHEDRN Cc1ccsc1C=NNc1cccc(F)c1 ZINC000920384376 642485292 /nfs/dbraw/zinc/48/52/92/642485292.db2.gz SNWVFJYEKPODBD-UHFFFAOYSA-N 0 0 234.299 3.642 20 30 BHEDRN Fc1cccc(NN=Cc2ccc(Cl)cc2)c1 ZINC000920384395 642485041 /nfs/dbraw/zinc/48/50/41/642485041.db2.gz UTOSOXCDURPRKS-UHFFFAOYSA-N 0 0 248.688 3.925 20 30 BHEDRN Cc1ccc(C=NNc2cccc(F)c2)cc1 ZINC000920384425 642485604 /nfs/dbraw/zinc/48/56/04/642485604.db2.gz VTSOEZVGXIYRPM-UHFFFAOYSA-N 0 0 228.270 3.580 20 30 BHEDRN CC(CCc1ccco1)N=Nc1cccc(F)c1 ZINC000920384426 642485157 /nfs/dbraw/zinc/48/51/57/642485157.db2.gz VTYOLGIRDZYOFX-UHFFFAOYSA-N 0 0 246.285 3.839 20 30 BHEDRN Cc1ccccc1C=NNc1cccc(F)c1 ZINC000920384427 642486157 /nfs/dbraw/zinc/48/61/57/642486157.db2.gz VWEXVTRQHXEGJR-UHFFFAOYSA-N 0 0 228.270 3.580 20 30 BHEDRN Cc1ccc(C=NNc2cccc(F)c2)c(C)c1 ZINC000920384521 642485143 /nfs/dbraw/zinc/48/51/43/642485143.db2.gz WJNGTCCYEKIPHX-UHFFFAOYSA-N 0 0 242.297 3.889 20 30 BHEDRN CC(=NNc1cccc(F)c1)c1ccc(C)cc1 ZINC000920384561 642486456 /nfs/dbraw/zinc/48/64/56/642486456.db2.gz XEIYSTYNKISZPO-UHFFFAOYSA-N 0 0 242.297 3.970 20 30 BHEDRN CC(=NNc1cccc(F)c1)c1cc(C)oc1C ZINC000920384576 642486190 /nfs/dbraw/zinc/48/61/90/642486190.db2.gz XXOBKBXLEDASEO-UHFFFAOYSA-N 0 0 246.285 3.872 20 30 BHEDRN CC(=NNc1cccc(F)c1)c1ccccc1 ZINC000920384597 642485804 /nfs/dbraw/zinc/48/58/04/642485804.db2.gz YPLYXNWOODYMJW-UHFFFAOYSA-N 0 0 228.270 3.662 20 30 BHEDRN Fc1cccc(N=NC[C@@H]2CC=CCC2)c1 ZINC000920384615 642486446 /nfs/dbraw/zinc/48/64/46/642486446.db2.gz ZHJGDYPDEBHSFX-LLVKDONJSA-N 0 0 218.275 3.580 20 30 BHEDRN Fc1cccc(N=NC[C@H]2CC=CCC2)c1 ZINC000920384616 642486004 /nfs/dbraw/zinc/48/60/04/642486004.db2.gz ZHJGDYPDEBHSFX-NSHDSACASA-N 0 0 218.275 3.580 20 30 BHEDRN CC(=NNc1cccc(F)c1)c1ccc(C)o1 ZINC000920384618 642486485 /nfs/dbraw/zinc/48/64/85/642486485.db2.gz ZPPKTTHEAGHQNB-UHFFFAOYSA-N 0 0 232.258 3.563 20 30 BHEDRN C[C@H](NN=C[C@H]1CC=CCC1)c1ccccc1 ZINC000920385254 642485518 /nfs/dbraw/zinc/48/55/18/642485518.db2.gz AIUZSIUKCKMHAR-KBPBESRZSA-N 0 0 228.339 3.679 20 30 BHEDRN C[C@@H](N=NC[C@H]1CC=CCC1)c1ccccc1 ZINC000920385263 642485870 /nfs/dbraw/zinc/48/58/70/642485870.db2.gz AIUZSIUKCKMHAR-KGLIPLIRSA-N 0 0 228.339 3.679 20 30 BHEDRN C[C@H](N=NC[C@@H]1CC=CCC1)c1ccccc1 ZINC000920385265 642484995 /nfs/dbraw/zinc/48/49/95/642484995.db2.gz AIUZSIUKCKMHAR-UONOGXRCSA-N 0 0 228.339 3.679 20 30 BHEDRN C[C@@H](N=NC[C@@H]1CC=CCC1)c1ccccc1 ZINC000920385268 642485313 /nfs/dbraw/zinc/48/53/13/642485313.db2.gz AIUZSIUKCKMHAR-ZIAGYGMSSA-N 0 0 228.339 3.679 20 30 BHEDRN Cc1ccccc1C=NN[C@@H](C)c1ccccc1 ZINC000920385302 642485686 /nfs/dbraw/zinc/48/56/86/642485686.db2.gz APWOMBCCEBCMHX-AWEZNQCLSA-N 0 0 238.334 3.680 20 30 BHEDRN Cc1ccccc1C=NN[C@H](C)c1ccccc1 ZINC000920385338 642485920 /nfs/dbraw/zinc/48/59/20/642485920.db2.gz APWOMBCCEBCMHX-CQSZACIVSA-N 0 0 238.334 3.680 20 30 BHEDRN CC(=NN[C@H](C)c1ccccc1)c1ccccc1 ZINC000920385366 642485812 /nfs/dbraw/zinc/48/58/12/642485812.db2.gz BGFFXACFSLSAQR-CYBMUJFWSA-N 0 0 238.334 3.761 20 30 BHEDRN CC(=NN[C@@H](C)c1ccccc1)c1ccccc1 ZINC000920385367 642486326 /nfs/dbraw/zinc/48/63/26/642486326.db2.gz BGFFXACFSLSAQR-ZDUSSCGKSA-N 0 0 238.334 3.761 20 30 BHEDRN C[C@@H](N=NC1CCCC[C@H]1C)c1ccccc1 ZINC000920385437 642486504 /nfs/dbraw/zinc/48/65/04/642486504.db2.gz CWZXXKAOMSVLJJ-CHWSQXEVSA-N 0 0 230.355 3.903 20 30 BHEDRN C[C@H](NN=C1CCCC[C@H]1C)c1ccccc1 ZINC000920385445 642485208 /nfs/dbraw/zinc/48/52/08/642485208.db2.gz CWZXXKAOMSVLJJ-OLZOCXBDSA-N 0 0 230.355 3.903 20 30 BHEDRN C[C@@H](N=NC1CCCC[C@@H]1C)c1ccccc1 ZINC000920385446 642485681 /nfs/dbraw/zinc/48/56/81/642485681.db2.gz CWZXXKAOMSVLJJ-QWHCGFSZSA-N 0 0 230.355 3.903 20 30 BHEDRN C[C@H](N=NC1CCCC[C@@H]1C)c1ccccc1 ZINC000920385447 642486431 /nfs/dbraw/zinc/48/64/31/642486431.db2.gz CWZXXKAOMSVLJJ-STQMWFEESA-N 0 0 230.355 3.903 20 30 BHEDRN C[C@H](NN=C1CCC(C)CC1)c1ccccc1 ZINC000920385604 642485172 /nfs/dbraw/zinc/48/51/72/642485172.db2.gz DMJHYFJKDMHTLR-ABLWVSNPSA-N 0 0 230.355 3.903 20 30 BHEDRN C[C@@H](NN=C1CCC(C)CC1)c1ccccc1 ZINC000920385605 642485905 /nfs/dbraw/zinc/48/59/05/642485905.db2.gz DMJHYFJKDMHTLR-ZGTCLIOFSA-N 0 0 230.355 3.903 20 30 BHEDRN Cc1ccc(C=NNc2cccc(F)c2)cc1C ZINC000920385801 642484974 /nfs/dbraw/zinc/48/49/74/642484974.db2.gz HKKFJRIKPBQAAA-UHFFFAOYSA-N 0 0 242.297 3.889 20 30 BHEDRN Cc1ccsc1C=NN[C@H](C)c1ccccc1 ZINC000920385822 642486563 /nfs/dbraw/zinc/48/65/63/642486563.db2.gz IBBFUSGPIFFRER-GFCCVEGCSA-N 0 0 244.363 3.741 20 30 BHEDRN Cc1ccsc1C=NN[C@@H](C)c1ccccc1 ZINC000920385823 642485625 /nfs/dbraw/zinc/48/56/25/642485625.db2.gz IBBFUSGPIFFRER-LBPRGKRZSA-N 0 0 244.363 3.741 20 30 BHEDRN C[C@@H](NN=C1CCC[C@@H](C)C1)c1ccccc1 ZINC000920385979 642486595 /nfs/dbraw/zinc/48/65/95/642486595.db2.gz MKHCEVVERSNXDK-CHWSQXEVSA-N 0 0 230.355 3.903 20 30 BHEDRN C[C@H](NN=C1CCC[C@@H](C)C1)c1ccccc1 ZINC000920385980 642486037 /nfs/dbraw/zinc/48/60/37/642486037.db2.gz MKHCEVVERSNXDK-OLZOCXBDSA-N 0 0 230.355 3.903 20 30 BHEDRN C[C@@H](NN=C1CCC[C@H](C)C1)c1ccccc1 ZINC000920385981 642485220 /nfs/dbraw/zinc/48/52/20/642485220.db2.gz MKHCEVVERSNXDK-QWHCGFSZSA-N 0 0 230.355 3.903 20 30 BHEDRN C[C@H](NN=C1CCC[C@H](C)C1)c1ccccc1 ZINC000920385982 642485680 /nfs/dbraw/zinc/48/56/80/642485680.db2.gz MKHCEVVERSNXDK-STQMWFEESA-N 0 0 230.355 3.903 20 30 BHEDRN CCC(CC)=NN[C@H](C)c1ccccc1 ZINC000920385992 642485391 /nfs/dbraw/zinc/48/53/91/642485391.db2.gz MNFIGTOMZGINTB-LLVKDONJSA-N 0 0 204.317 3.513 20 30 BHEDRN CCC(CC)=NN[C@@H](C)c1ccccc1 ZINC000920385993 642485885 /nfs/dbraw/zinc/48/58/85/642485885.db2.gz MNFIGTOMZGINTB-NSHDSACASA-N 0 0 204.317 3.513 20 30 BHEDRN C[C@@H](NN=Cc1ccccc1F)c1ccccc1 ZINC000920386075 642485052 /nfs/dbraw/zinc/48/50/52/642485052.db2.gz PMTFSOBCQAKKQM-GFCCVEGCSA-N 0 0 242.297 3.510 20 30 BHEDRN C[C@H](NN=Cc1ccccc1F)c1ccccc1 ZINC000920386076 642485552 /nfs/dbraw/zinc/48/55/52/642485552.db2.gz PMTFSOBCQAKKQM-LBPRGKRZSA-N 0 0 242.297 3.510 20 30 BHEDRN C[C@@H](NN=Cc1ccc(F)cc1)c1ccccc1 ZINC000920386083 642486147 /nfs/dbraw/zinc/48/61/47/642486147.db2.gz PQPJYZASXXIHAH-GFCCVEGCSA-N 0 0 242.297 3.510 20 30 BHEDRN C[C@H](NN=Cc1ccc(F)cc1)c1ccccc1 ZINC000920386084 642485935 /nfs/dbraw/zinc/48/59/35/642485935.db2.gz PQPJYZASXXIHAH-LBPRGKRZSA-N 0 0 242.297 3.510 20 30 BHEDRN CCC(C=NN[C@H](C)c1ccccc1)CC ZINC000920386120 642485669 /nfs/dbraw/zinc/48/56/69/642485669.db2.gz QOHVPQXZTMTNIW-GFCCVEGCSA-N 0 0 218.344 3.759 20 30 BHEDRN CCC(C=NN[C@@H](C)c1ccccc1)CC ZINC000920386121 642486450 /nfs/dbraw/zinc/48/64/50/642486450.db2.gz QOHVPQXZTMTNIW-LBPRGKRZSA-N 0 0 218.344 3.759 20 30 BHEDRN Fc1cccc(N=NC=CCc2ccco2)c1 ZINC000920386164 642486364 /nfs/dbraw/zinc/48/63/64/642486364.db2.gz SKOGFOJQHQGBAD-JOYGOLBRSA-N 0 0 230.242 3.530 20 30 BHEDRN Fc1cccc(N=NC=CCc2ccco2)c1 ZINC000920386165 642485641 /nfs/dbraw/zinc/48/56/41/642485641.db2.gz SKOGFOJQHQGBAD-POGKRSPNSA-N 0 0 230.242 3.530 20 30 BHEDRN CC(=NN[C@H](C)c1ccccc1)c1ccc(C)o1 ZINC000920386168 642485637 /nfs/dbraw/zinc/48/56/37/642485637.db2.gz SQABLJTVBBGMQF-GFCCVEGCSA-N 0 0 242.322 3.663 20 30 BHEDRN CC(=NN[C@@H](C)c1ccccc1)c1ccc(C)o1 ZINC000920386169 642486552 /nfs/dbraw/zinc/48/65/52/642486552.db2.gz SQABLJTVBBGMQF-LBPRGKRZSA-N 0 0 242.322 3.663 20 30 BHEDRN Cc1ccc(C=NN[C@H](C)c2ccccc2)s1 ZINC000920386261 642485620 /nfs/dbraw/zinc/48/56/20/642485620.db2.gz VNVXNWGQJVLPCB-GFCCVEGCSA-N 0 0 244.363 3.741 20 30 BHEDRN Cc1ccc(C=NN[C@@H](C)c2ccccc2)s1 ZINC000920386262 642485134 /nfs/dbraw/zinc/48/51/34/642485134.db2.gz VNVXNWGQJVLPCB-LBPRGKRZSA-N 0 0 244.363 3.741 20 30 BHEDRN Cc1cccc(C=NN[C@@H](C)c2ccccc2)c1 ZINC000920386326 642485962 /nfs/dbraw/zinc/48/59/62/642485962.db2.gz XPXNQBPHJXMUKV-AWEZNQCLSA-N 0 0 238.334 3.680 20 30 BHEDRN Cc1cccc(C=NN[C@H](C)c2ccccc2)c1 ZINC000920386327 642485198 /nfs/dbraw/zinc/48/51/98/642485198.db2.gz XPXNQBPHJXMUKV-CQSZACIVSA-N 0 0 238.334 3.680 20 30 BHEDRN CC(=NN[C@H](C)c1ccccc1)c1cccs1 ZINC000920386395 642485265 /nfs/dbraw/zinc/48/52/65/642485265.db2.gz ZEPQBTHGNRNPGV-LLVKDONJSA-N 0 0 244.363 3.823 20 30 BHEDRN CC(=NN[C@@H](C)c1ccccc1)c1cccs1 ZINC000920386396 642485719 /nfs/dbraw/zinc/48/57/19/642485719.db2.gz ZEPQBTHGNRNPGV-NSHDSACASA-N 0 0 244.363 3.823 20 30 BHEDRN C[C@@H](NN=Cc1cccc(F)c1)c1ccccc1 ZINC000920386397 642486293 /nfs/dbraw/zinc/48/62/93/642486293.db2.gz ZFPFWAMHJRBASO-GFCCVEGCSA-N 0 0 242.297 3.510 20 30 BHEDRN C[C@H](NN=Cc1cccc(F)c1)c1ccccc1 ZINC000920386398 642485078 /nfs/dbraw/zinc/48/50/78/642485078.db2.gz ZFPFWAMHJRBASO-LBPRGKRZSA-N 0 0 242.297 3.510 20 30 BHEDRN C[C@@H](N=NCC1CCCCC1)c1ccccc1 ZINC000920386410 642485598 /nfs/dbraw/zinc/48/55/98/642485598.db2.gz ZSGCHXVAVJVRHK-CYBMUJFWSA-N 0 0 230.355 3.903 20 30 BHEDRN C[C@H](N=NCC1CCCCC1)c1ccccc1 ZINC000920386411 642486511 /nfs/dbraw/zinc/48/65/11/642486511.db2.gz ZSGCHXVAVJVRHK-ZDUSSCGKSA-N 0 0 230.355 3.903 20 30 BHEDRN Cc1ccc(C=NN[C@@H](C)c2ccccc2)cc1 ZINC000920386412 642486086 /nfs/dbraw/zinc/48/60/86/642486086.db2.gz ZSHBPBSYRXQKBS-AWEZNQCLSA-N 0 0 238.334 3.680 20 30 BHEDRN Cc1ccc(C=NN[C@H](C)c2ccccc2)cc1 ZINC000920386413 642485085 /nfs/dbraw/zinc/48/50/85/642485085.db2.gz ZSHBPBSYRXQKBS-CQSZACIVSA-N 0 0 238.334 3.680 20 30 BHEDRN C=C(C)CNc1ccc(OC)cc1C(F)(F)F ZINC000920402259 642487486 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