smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)cc1 ZINC000000710288 210264758 /nfs/dbraw/zinc/26/47/58/210264758.db2.gz RNDIWMQOIIYPGO-ZDUSSCGKSA-N 0 0 356.516 4.784 50 30 FJEARN CCC[C@@H]1CCc2c(C#N)c(NC(=O)c3cccc(OC)c3)sc2C1 ZINC000000667483 210259648 /nfs/dbraw/zinc/25/96/48/210259648.db2.gz ROYVYZMAEPKKKI-CYBMUJFWSA-N 0 0 354.475 4.786 50 30 FJEARN Cc1c(C#N)c2nc3ccccc3n2c(N2CCCC2)c1Cc1ccccc1 ZINC000000629549 210253784 /nfs/dbraw/zinc/25/37/84/210253784.db2.gz CKCJRGRTLKXIKT-UHFFFAOYSA-N 0 0 366.468 4.859 50 30 FJEARN COc1ccc(/C=C2\Oc3ccc(OC(=O)c4ccccc4)cc3C2=O)cc1 ZINC000012661778 210234178 /nfs/dbraw/zinc/23/41/78/210234178.db2.gz VPUHWLYXYJCVSS-BKUYFWCQSA-N 0 0 372.376 4.531 50 30 FJEARN COc1ccc(C(=O)/C=C/c2cccs2)c(OC(=O)c2cccs2)c1 ZINC000004279063 210229659 /nfs/dbraw/zinc/22/96/59/210229659.db2.gz CGUHLNPPPXFPOF-VQHVLOKHSA-N 0 0 370.451 4.934 50 30 FJEARN C=CCOc1cccc(-c2nc(C(=O)Nc3cccc(C)c3)cs2)c1 ZINC000034712710 210169977 /nfs/dbraw/zinc/16/99/77/210169977.db2.gz CEYLSNUDGZOYPH-UHFFFAOYSA-N 0 0 350.443 4.936 50 30 FJEARN C=CCOc1ccc(/C=C2/SC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000027229255 210161685 /nfs/dbraw/zinc/16/16/85/210161685.db2.gz VNBYVVXXVIDTJA-QGOAFFKASA-N 0 0 367.426 4.501 50 30 FJEARN C=CCn1c(SCc2cccc(C)c2)nc2c3ccccc3[nH]c2c1=O ZINC000017123015 210154459 /nfs/dbraw/zinc/15/44/59/210154459.db2.gz PRVJKEUYDHANSJ-UHFFFAOYSA-N 0 0 361.470 4.665 50 30 FJEARN C=CCn1c(SCc2cccc(C)c2)nc2sc(C)c(C)c2c1=O ZINC000002373945 210151451 /nfs/dbraw/zinc/15/14/51/210151451.db2.gz TZKXKEGYOCDADA-UHFFFAOYSA-N 0 0 356.516 4.862 50 30 FJEARN C=CCc1cccc2cc(C(=O)N[C@H](C)c3cc(C)ccc3C)c(=O)oc21 ZINC000001459679 210147667 /nfs/dbraw/zinc/14/76/67/210147667.db2.gz LFLKXKQMQHIILQ-MRXNPFEDSA-N 0 0 361.441 4.629 50 30 FJEARN C=CCOC(=O)Oc1ccc2c(c1)occ(-c1ccc(Cl)cc1)c2=O ZINC000001777076 210147467 /nfs/dbraw/zinc/14/74/67/210147467.db2.gz ATNRDQCGAMOODZ-UHFFFAOYSA-N 0 0 356.761 4.815 50 30 FJEARN C=CCOc1c(Br)cc(Br)cc1Br ZINC000001668379 210147607 /nfs/dbraw/zinc/14/76/07/210147607.db2.gz RZLLIOPGUFOWOD-UHFFFAOYSA-N 0 0 370.866 4.539 50 30 FJEARN C=CCN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)SC1=S ZINC000013573977 210144694 /nfs/dbraw/zinc/14/46/94/210144694.db2.gz MWSOPXJIDNIQGP-XNTDXEJSSA-N 0 0 361.875 4.987 50 30 FJEARN C=CCOc1cccc(/C=C2/CCn3c2nc2ccc(Cl)cc2c3=O)c1 ZINC000012814543 210142082 /nfs/dbraw/zinc/14/20/82/210142082.db2.gz QHEVXNQBRAKAGQ-PTNGSMBKSA-N 0 0 364.832 4.559 50 30 FJEARN C=CCc1c(C)nc2sc(C(=O)Nc3ccccc3C)c(N)c2c1C ZINC000013282603 210141545 /nfs/dbraw/zinc/14/15/45/210141545.db2.gz QCXITJGAOKKMNG-UHFFFAOYSA-N 0 0 351.475 4.785 50 30 FJEARN C=CCn1c(=O)c2c(-c3ccco3)csc2nc1SCC(=C)Cl ZINC000011020379 210139671 /nfs/dbraw/zinc/13/96/71/210139671.db2.gz TUDWIFHSYHYKPY-UHFFFAOYSA-N 0 0 364.879 4.749 50 30 FJEARN C=CCSc1nc2ccsc2c(Oc2ccccc2C(=O)OC)n1 ZINC000005915002 210107878 /nfs/dbraw/zinc/10/78/78/210107878.db2.gz LXJXDXQIVGVLQD-UHFFFAOYSA-N 0 0 358.444 4.548 50 30 FJEARN C=CCN1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S ZINC000004599804 210103743 /nfs/dbraw/zinc/10/37/43/210103743.db2.gz UBOCSQNBSIPXHK-GHRIWEEISA-N 0 0 353.468 4.866 50 30 FJEARN C=C(C)Cn1c2ccccc2nc1[C@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000004033528 210103281 /nfs/dbraw/zinc/10/32/81/210103281.db2.gz WCPJLXBBBICSKX-SFHVURJKSA-N 0 0 359.473 4.750 50 30 FJEARN C=CCSc1nc2c(c(=O)n1CCC)C1(CCCC1)Cc1ccccc1-2 ZINC000005066932 210106505 /nfs/dbraw/zinc/10/65/05/210106505.db2.gz ZXUBIHZYFOGEJE-UHFFFAOYSA-N 0 0 366.530 4.966 50 30 FJEARN C=CCN1C[C@H](c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)CC1=O ZINC000004910321 210106479 /nfs/dbraw/zinc/10/64/79/210106479.db2.gz XAWDUGVRYRKJAA-HXUWFJFHSA-N 0 0 373.500 4.710 50 30 FJEARN C=CCOc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC ZINC000005174168 210106281 /nfs/dbraw/zinc/10/62/81/210106281.db2.gz PNOIAVWVQKATJJ-AQTBWJFISA-N 0 0 367.426 4.501 50 30 FJEARN CC(=O)Nc1cccc(Oc2cc(C#N)c(C#N)cc2N2CCCCCC2)c1 ZINC000001109458 219370765 /nfs/dbraw/zinc/37/07/65/219370765.db2.gz AVDKNUNMNZNUPV-UHFFFAOYSA-N 0 0 374.444 4.561 50 30 FJEARN COc1ccc(Cl)cc1-c1nnc(SCc2ccccc2C#N)o1 ZINC000007604773 219809835 /nfs/dbraw/zinc/80/98/35/219809835.db2.gz CXXAYQGOVDIZOQ-UHFFFAOYSA-N 0 0 357.822 4.563 50 30 FJEARN N#Cc1c(Cl)nsc1NCc1ccc(-n2cnc3ccccc32)cc1 ZINC000060874306 212023765 /nfs/dbraw/zinc/02/37/65/212023765.db2.gz DHAJHMRKBOWRQW-UHFFFAOYSA-N 0 0 365.849 4.619 50 30 FJEARN C(=N/c1cccc(/N=C/c2ccc3c(c2)OCO3)c1)\c1ccc2c(c1)OCO2 ZINC000043761151 203781375 /nfs/dbraw/zinc/78/13/75/203781375.db2.gz AYXVKPHHRUAJNK-ASIDMNOUSA-N 0 0 372.380 4.645 50 30 FJEARN C=CCc1ccccc1OC[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC000002201571 203860634 /nfs/dbraw/zinc/86/06/34/203860634.db2.gz KDWYRQAZGLVLRM-LJQANCHMSA-N 0 0 357.453 4.963 50 30 FJEARN C#CCOC(=O)c1ccccc1C(=O)N(C1CCCCC1)C1CCCCC1 ZINC000002275696 203860842 /nfs/dbraw/zinc/86/08/42/203860842.db2.gz VZKGVPXYZRBPJP-UHFFFAOYSA-N 0 0 367.489 4.584 50 30 FJEARN C=CCOc1ccc(/C=C2\SC(=S)N(c3cccc(F)c3)C2=O)cc1 ZINC000001815051 203861224 /nfs/dbraw/zinc/86/12/24/203861224.db2.gz IMZFQMQJCCAVTJ-BOPFTXTBSA-N 0 0 371.458 4.796 50 30 FJEARN CN[C@@]1(c2ccccc2)Oc2ccccc2C(C#Cc2ccccc2)=C1C ZINC000022343281 203865083 /nfs/dbraw/zinc/86/50/83/203865083.db2.gz OSFTWSIXNUFEAM-RUZDIDTESA-N 0 0 351.449 4.977 50 30 FJEARN Cc1c(C)c([N+](=O)[O-])ccc1-c1ccc(C=C2C(=O)c3ccccc3C2=O)o1 ZINC000000713949 203944952 /nfs/dbraw/zinc/94/49/52/203944952.db2.gz YEUXNIRNDFCGOD-UHFFFAOYSA-N 0 0 373.364 4.934 50 30 FJEARN Cc1ccc2c(c1)N1C(=O)c3ccccc3[C@@H]1C1=C(CC(C)(C)CC1=O)N2 ZINC000000867349 203958917 /nfs/dbraw/zinc/95/89/17/203958917.db2.gz XBDLKRQDTIMFGW-OAQYLSRUSA-N 0 0 358.441 4.765 50 30 FJEARN Cc1ccc([C@@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)CCC3)s1 ZINC000000883263 203960361 /nfs/dbraw/zinc/96/03/61/203960361.db2.gz MKZFSQHCHREQSO-HXUWFJFHSA-N 0 0 371.502 4.510 50 30 FJEARN O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)Nc1c3cccnc3ccc12 ZINC000001130474 203985693 /nfs/dbraw/zinc/98/56/93/203985693.db2.gz JPGHAOJKAHBVEP-JOCHJYFZSA-N 0 0 370.408 4.637 50 30 FJEARN CCn1c2ccccc2c2cc(CN(C)C(=O)c3ccc(C#N)cc3)ccc21 ZINC000009931872 203999021 /nfs/dbraw/zinc/99/90/21/203999021.db2.gz LQUCGQDQZMODPR-UHFFFAOYSA-N 0 0 367.452 4.958 50 30 FJEARN CCN(CC)c1nc(-c2ccncc2)nc(-c2ccc(Cl)cc2)c1C#N ZINC000001393447 204003661 /nfs/dbraw/zinc/00/36/61/204003661.db2.gz STEUTTAEGTZPTN-UHFFFAOYSA-N 0 0 363.852 4.577 50 30 FJEARN N#CC[C@H]1c2ccccc2CCN1C(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001396839 204004976 /nfs/dbraw/zinc/00/49/76/204004976.db2.gz XKTISVZHSOOKRI-KRWDZBQOSA-N 0 0 359.351 4.750 50 30 FJEARN N#Cc1ccccc1NC(=O)c1ccccc1Sc1ccccc1C#N ZINC000001425993 204005477 /nfs/dbraw/zinc/00/54/77/204005477.db2.gz SRKUDYQEWSTSMW-UHFFFAOYSA-N 0 0 355.422 4.833 50 30 FJEARN N#Cc1cc(Oc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])cc1C#N ZINC000001427427 204006226 /nfs/dbraw/zinc/00/62/26/204006226.db2.gz SPCSABHZZFTZOG-UHFFFAOYSA-N 0 0 367.670 4.803 50 30 FJEARN CC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)c3cc(C4CC4)on3)sc2C1 ZINC000002498001 204042322 /nfs/dbraw/zinc/04/23/22/204042322.db2.gz QHKHYYOCRLMJAA-LBPRGKRZSA-N 0 0 369.490 4.888 50 30 FJEARN Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)c(C#N)c2c1CCCC2 ZINC000001476118 204009226 /nfs/dbraw/zinc/00/92/26/204009226.db2.gz HLOWGDKSXHHNCT-UHFFFAOYSA-N 0 0 371.893 4.525 50 30 FJEARN COc1cccc(/C=N/c2cccc(NC(=O)c3ccc(F)cc3)c2)c1O ZINC000001501565 204011339 /nfs/dbraw/zinc/01/13/39/204011339.db2.gz OLOYUADZZACFPG-YDZHTSKRSA-N 0 0 364.376 4.543 50 30 FJEARN Nc1nc(-c2ccc(Cl)cc2)cn1/N=C/c1ccc(Cl)cc1Cl ZINC000001882298 204022432 /nfs/dbraw/zinc/02/24/32/204022432.db2.gz DGEXCEJGYPOIEC-ODCIPOBUSA-N 0 0 365.651 4.975 50 30 FJEARN CCCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)cc1 ZINC000002063654 204025303 /nfs/dbraw/zinc/02/53/03/204025303.db2.gz MPHPZHUOAFGYAJ-IBGZPJMESA-N 0 0 373.880 4.651 50 30 FJEARN Cc1ccc(C2=CC(=O)C(=O)N2N(c2ccccc2)c2ccccc2)cc1 ZINC000002077705 204026652 /nfs/dbraw/zinc/02/66/52/204026652.db2.gz VTYUIZOMKKWFKF-UHFFFAOYSA-N 0 0 354.409 4.501 50 30 FJEARN C=CCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCC=C)cc2)cc1 ZINC000002171791 204027351 /nfs/dbraw/zinc/02/73/51/204027351.db2.gz KKDMPCHERXNNDG-UHFFFAOYSA-N 0 0 366.417 4.746 50 30 FJEARN Fc1cc(-c2nnc(-c3ccc(C(F)(F)F)cc3)o2)c(F)c(F)c1F ZINC000002183255 204028357 /nfs/dbraw/zinc/02/83/57/204028357.db2.gz KNNRVFPPVLXNHZ-UHFFFAOYSA-N 0 0 362.204 4.979 50 30 FJEARN COc1cccc(C(=O)[C@@H]2C(C#N)(C#N)C23CCC(C(C)(C)C)CC3)c1 ZINC000002294903 204032515 /nfs/dbraw/zinc/03/25/15/204032515.db2.gz XHXZXPVTACCHKQ-BSLVTKGXSA-N 0 0 350.462 4.764 50 30 FJEARN CC(C)Oc1cccc(C(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)c1 ZINC000002884811 204066009 /nfs/dbraw/zinc/06/60/09/204066009.db2.gz XBMDZRRFDZPPNN-ZDUSSCGKSA-N 0 0 354.475 4.784 50 30 FJEARN COc1cccc(/C=C2\N=C(SC)SC2=O)c1OCc1ccccc1 ZINC000002977895 204072318 /nfs/dbraw/zinc/07/23/18/204072318.db2.gz WWRQRCQAZUUESW-PTNGSMBKSA-N 0 0 371.483 4.608 50 30 FJEARN O=C1CCCC2=C1[C@@H](c1ccc(O)c(O)c1)Nc1ccc3ccccc3c12 ZINC000003050449 204075966 /nfs/dbraw/zinc/07/59/66/204075966.db2.gz YKQAJGSSHLQDEZ-HSZRJFAPSA-N 0 0 357.409 4.924 50 30 FJEARN CCc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F ZINC000002740324 204054012 /nfs/dbraw/zinc/05/40/12/204054012.db2.gz VAVNYNHIXASDIF-UHFFFAOYSA-N 0 0 367.211 4.656 50 30 FJEARN Cc1nc2ccccc2c(=O)n1/N=C/c1ccc(Sc2ccccc2)cc1 ZINC000002814932 204061358 /nfs/dbraw/zinc/06/13/58/204061358.db2.gz UWTIVNDOZNRNMQ-HZHRSRAPSA-N 0 0 371.465 4.738 50 30 FJEARN O=C1CCCC2=C1[C@H](c1ccc3c(c1)OCO3)c1ccc3ncccc3c1N2 ZINC000004036935 204118466 /nfs/dbraw/zinc/11/84/66/204118466.db2.gz RWUPOOKIXCYLDW-OAQYLSRUSA-N 0 0 370.408 4.528 50 30 FJEARN Cc1c(/C(=N/OCc2ccccc2)C2CC2)cnc2cc3c(cc21)OCO3 ZINC000004089740 204121286 /nfs/dbraw/zinc/12/12/86/204121286.db2.gz OGCFUOFPIKDKQO-ZNTNEXAZSA-N 0 0 360.413 4.603 50 30 FJEARN N#Cc1ccc(COC(=O)Cn2c(-c3ccccc3)cc3ccccc32)cc1 ZINC000003412733 204099209 /nfs/dbraw/zinc/09/92/09/204099209.db2.gz MCQKPDLAGBCFRR-UHFFFAOYSA-N 0 0 366.420 4.923 50 30 FJEARN COc1ccc(/C=C2/S/C(=N\c3cccc(C)c3)NC2=O)cc1Cl ZINC000004664167 204152774 /nfs/dbraw/zinc/15/27/74/204152774.db2.gz LAQHANQIJNREAY-MHWRWJLKSA-N 0 0 358.850 4.549 50 30 FJEARN Cc1cccc(COc2ccc(/C=C3/C(=O)ON=C3c3ccccc3)cc2)c1 ZINC000004685309 204155306 /nfs/dbraw/zinc/15/53/06/204155306.db2.gz JFJXBVYSRCKPPA-PXLXIMEGSA-N 0 0 369.420 4.919 50 30 FJEARN Cc1ccc(/N=C2/NC(=O)/C(=C\c3cccn3-c3ccccc3)S2)cc1 ZINC000004688144 204155371 /nfs/dbraw/zinc/15/53/71/204155371.db2.gz ARQNCERYCFLVOW-XMHGGMMESA-N 0 0 359.454 4.677 50 30 FJEARN CCSC1=N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)S1 ZINC000004755184 204162039 /nfs/dbraw/zinc/16/20/39/204162039.db2.gz FNVWQBDCJOYSSI-LCYFTJDESA-N 0 0 360.416 4.578 50 30 FJEARN c1ccc(-c2cc(-c3ccccc3)nc(N=NCc3ccccn3)n2)cc1 ZINC000004811913 204165418 /nfs/dbraw/zinc/16/54/18/204165418.db2.gz JHCCPZAXOZKARC-LFVJCYFKSA-N 0 0 351.413 4.652 50 30 FJEARN N#Cc1ccc(/C=C2/S/C(=N\c3cccc(Cl)c3Cl)NC2=O)cc1 ZINC000004544557 204145605 /nfs/dbraw/zinc/14/56/05/204145605.db2.gz SQMCSWCVTGXOTI-RIYZIHGNSA-N 0 0 374.252 4.757 50 30 FJEARN C=CCN1c2ccccc2/C(=N\N(c2ccccc2)c2ccccc2)C1=O ZINC000005494989 204212688 /nfs/dbraw/zinc/21/26/88/204212688.db2.gz GOIPAZIXORJAEZ-ZNTNEXAZSA-N 0 0 353.425 4.762 50 30 FJEARN c1cnc2c(c1)cccc2CN=Nc1ncnc2sc3c(c21)CCCC3 ZINC000005573259 204215745 /nfs/dbraw/zinc/21/57/45/204215745.db2.gz NJHVJLPZSYFEKB-BHGWPJFGSA-N 0 0 359.458 4.564 50 30 FJEARN C[C@H]1S/C(=N\N=C\c2ccccc2)N(Cc2cccc3ccccc32)C1=O ZINC000004899287 204172806 /nfs/dbraw/zinc/17/28/06/204172806.db2.gz BRKJPIMYVYTBLN-FOLOGHDTSA-N 0 0 373.481 4.694 50 30 FJEARN CCOC(=O)[C@H]1C(=O)C=C(c2ccc(C)cc2)C[C@@H]1c1ccc(CC)cc1 ZINC000004920036 204176833 /nfs/dbraw/zinc/17/68/33/204176833.db2.gz WZTROMHIBJYHOH-FYYLOGMGSA-N 0 0 362.469 4.877 50 30 FJEARN CCOC(=O)[C@@H]1C(=O)C=C(c2ccco2)C[C@H]1c1ccc(C(C)C)cc1 ZINC000004919424 204176870 /nfs/dbraw/zinc/17/68/70/204176870.db2.gz NHDBBBBLXGJFMG-RXVVDRJESA-N 0 0 352.430 4.722 50 30 FJEARN 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O=C1/C(=C/c2cccc([N+](=O)[O-])c2)CCC/C1=C\c1cccc([N+](=O)[O-])c1 ZINC000005249152 204199927 /nfs/dbraw/zinc/19/99/27/204199927.db2.gz YXADDWKSFJIQJN-OTYYAQKOSA-N 0 0 364.357 4.723 50 30 FJEARN CC(N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000005289614 204200633 /nfs/dbraw/zinc/20/06/33/204200633.db2.gz PYMVRGIHMPZCBS-XDHOZWIPSA-N 0 0 356.382 4.637 50 30 FJEARN CCn1c(SCc2ccc(C#N)cc2)nnc1-c1ccc(Cl)cc1 ZINC000005309423 204202431 /nfs/dbraw/zinc/20/24/31/204202431.db2.gz KRBJECGCLMEFFZ-UHFFFAOYSA-N 0 0 354.866 4.782 50 30 FJEARN Cc1ccc(C2N=NC(=S)N2N=CC(Cl)=Cc2ccccc2)cc1 ZINC000006199506 204241365 /nfs/dbraw/zinc/24/13/65/204241365.db2.gz LEXIXSRMSXNWOC-ULQIOQDBSA-N 0 0 354.866 4.656 50 30 FJEARN FC(F)(F)c1ccccc1NC(=S)NN=C1C2CC3CC(C2)CC1C3 ZINC000006345863 204245900 /nfs/dbraw/zinc/24/59/00/204245900.db2.gz YMNGUFAZYLVAHI-UHFFFAOYSA-N 0 0 367.440 4.804 50 30 FJEARN C[C@@H](Oc1cccc(C#N)c1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000006401735 204246651 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C[C@@H](c1ccccc1)N1C(=O)c2ccccc2N[C@@H]1c1ccc(C#N)cc1 ZINC000008706962 204339582 /nfs/dbraw/zinc/33/95/82/204339582.db2.gz FOCFCARIFXQDDO-AOMKIAJQSA-N 0 0 353.425 4.886 50 30 FJEARN CC[C@@H](C)Nc1oc(-c2ccc(COc3ccc(OC)cc3)o2)nc1C#N ZINC000008844523 204346735 /nfs/dbraw/zinc/34/67/35/204346735.db2.gz HLIMSOZEORCZGW-CYBMUJFWSA-N 0 0 367.405 4.604 50 30 FJEARN COc1ccc(Cl)cc1NC=CC(=O)c1ccc(Br)cc1 ZINC000009190090 204356555 /nfs/dbraw/zinc/35/65/55/204356555.db2.gz ZAYXHGBXXWIHSG-CMDGGOBGSA-N 0 0 366.642 4.920 50 30 FJEARN COCCSc1nc2c(c(C(F)(F)F)c1C#N)C[C@H](C(C)(C)C)CC2 ZINC000009423924 204366657 /nfs/dbraw/zinc/36/66/57/204366657.db2.gz NBKDLUMLENNZRT-LLVKDONJSA-N 0 0 372.456 4.862 50 30 FJEARN CCCN1C(=O)c2ccccc2NC12CCC(C#N)(c1ccccc1)CC2 ZINC000009740531 204381018 /nfs/dbraw/zinc/38/10/18/204381018.db2.gz CTOCILXXCJFXQW-UHFFFAOYSA-N 0 0 359.473 4.696 50 30 FJEARN CCCN(C(=O)c1ccc(C#N)cc1)[C@@H](C)c1ccccc1Br ZINC000059120402 212015403 /nfs/dbraw/zinc/01/54/03/212015403.db2.gz 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COc1ccc(/C=C2/COc3ccccc3C2=O)cc1OCc1ccccc1 ZINC000033431747 523410541 /nfs/dbraw/zinc/41/05/41/523410541.db2.gz NFDWMUYMADLHGZ-UYRXBGFRSA-N 0 0 372.420 4.933 50 30 FJEARN COc1ccc(/N=C2/c3ccccc3C(=O)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000105435787 523470892 /nfs/dbraw/zinc/47/08/92/523470892.db2.gz MRCPZXSSWOMXFD-KKPVDXMRSA-N 0 0 357.409 4.805 50 30 FJEARN COc1ccc(C)cc1NC(=Nc1ccc(C)cc1)n1sc(C)cc1=N ZINC000020357395 523817072 /nfs/dbraw/zinc/81/70/72/523817072.db2.gz HCWZHVIFBGKRTG-UHFFFAOYSA-N 0 0 366.490 4.611 50 30 FJEARN Cc1ccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)s1 ZINC000239121170 524243229 /nfs/dbraw/zinc/24/32/29/524243229.db2.gz JLULVTDEPOTHNP-UHFFFAOYSA-N 0 0 369.302 4.793 50 30 FJEARN Cc1cccc(C=NN2C(=S)N=NC2c2ccc(Cl)cc2Cl)c1 ZINC000239125178 524336053 /nfs/dbraw/zinc/33/60/53/524336053.db2.gz KAWMVTCGGGUXOK-UHFFFAOYSA-N 0 0 363.273 4.731 50 30 FJEARN C[C@@H]1CCC[C@H](N2C(=O)C3=C(CCCC3)[C@@H]2Nc2ccc(C#N)cc2)[C@H]1C ZINC000239038634 524391731 /nfs/dbraw/zinc/39/17/31/524391731.db2.gz DOLAWJXGFDDMGH-LYZACZEUSA-N 0 0 363.505 4.834 50 30 FJEARN COc1ccc(OC)c(C(=O)/C=C\c2cc(Br)ccc2F)c1 ZINC000096766976 524802431 /nfs/dbraw/zinc/80/24/31/524802431.db2.gz FIXGKDBWRIHSES-CLTKARDFSA-N 0 0 365.198 4.502 50 30 FJEARN C[C@]12CC[C@@H]3[C@H](C=CC4=C/C(=N\O)CC[C@]43C)[C@H]1CC[C@@]21CCC(=O)O1 ZINC000253497678 525348142 /nfs/dbraw/zinc/34/81/42/525348142.db2.gz FAUVATKYVLFXAC-OIGRFGICSA-N 0 0 355.478 4.631 50 30 FJEARN COc1ccc([C@H]2CC(=O)C=C(Nc3ccc(C)c(C)c3)C2)cc1OC ZINC000004181126 525400739 /nfs/dbraw/zinc/40/07/39/525400739.db2.gz HICYCSOBTXKVCP-QGZVFWFLSA-N 0 0 351.446 4.763 50 30 FJEARN Cc1ccc(-c2ccc(CN=Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)cc1 ZINC000004815234 525742502 /nfs/dbraw/zinc/74/25/02/525742502.db2.gz HQMBMCVHSUXSBU-YBFXNURJSA-N 0 0 366.333 4.517 50 30 FJEARN COc1cccc(NC(=Nc2ccc(C)c(C)c2)n2sc(C)cc2=N)c1 ZINC000020394610 525777840 /nfs/dbraw/zinc/77/78/40/525777840.db2.gz POFQXIKGJOQTFB-UHFFFAOYSA-N 0 0 366.490 4.611 50 30 FJEARN COc1cccc(C(=O)/C(=C/c2cccnc2)c2nc3ccccc3o2)c1 ZINC000009420698 525780637 /nfs/dbraw/zinc/78/06/37/525780637.db2.gz LPPMRPSKHUWDJG-PDGQHHTCSA-N 0 0 356.381 4.655 50 30 FJEARN Cc1ccc(/N=C/c2ccccc2OC(=O)c2ccccc2)cc1[N+](=O)[O-] ZINC000001431049 525967540 /nfs/dbraw/zinc/96/75/40/525967540.db2.gz KVJJJQRQLILUGY-HYARGMPZSA-N 0 0 360.369 4.873 50 30 FJEARN Cc1c2ccccc2oc1C(=O)ONC(=N)c1ccc(C(C)(C)C)cc1 ZINC000004336074 525983506 /nfs/dbraw/zinc/98/35/06/525983506.db2.gz ZNBWZBTZPDDMAP-UHFFFAOYSA-N 0 0 350.418 4.516 50 30 FJEARN Cc1cc(=N)n(C(=NCc2ccc(Cl)cc2)Nc2ccccc2)s1 ZINC000020343855 526097808 /nfs/dbraw/zinc/09/78/08/526097808.db2.gz SBIPGAGLVMTBIS-UHFFFAOYSA-N 0 0 356.882 4.507 50 30 FJEARN Cc1ccc2c(CC(=O)Nc3cccc(OCCCC#N)c3)coc2c1C ZINC000055568092 526123119 /nfs/dbraw/zinc/12/31/19/526123119.db2.gz ONOZKLUNJTYOKC-UHFFFAOYSA-N 0 0 362.429 4.913 50 30 FJEARN COc1cccc(NC(=Nc2cccc(Cl)c2)n2sc(C)cc2=N)c1 ZINC000020344086 526135503 /nfs/dbraw/zinc/13/55/03/526135503.db2.gz JIKDXAIPWJNWCP-UHFFFAOYSA-N 0 0 372.881 4.647 50 30 FJEARN C[C@H](CCN=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CCc1ccccc1 ZINC000004389961 526196118 /nfs/dbraw/zinc/19/61/18/526196118.db2.gz DCGCTYXWSPGACJ-BXUJETTOSA-N 0 0 356.382 4.560 50 30 FJEARN Cc1nn(Cc2ccccc2C)c(C)c1NC=CC(=O)c1ccc(F)cc1 ZINC000002794381 526296639 /nfs/dbraw/zinc/29/66/39/526296639.db2.gz LYOVLVBJOHOBAB-OUKQBFOZSA-N 0 0 363.436 4.804 50 30 FJEARN Oc1ccc(CN=Nc2cc(-c3ccccc3)nc(-c3ccccc3)n2)cc1 ZINC000004947102 526339316 /nfs/dbraw/zinc/33/93/16/526339316.db2.gz HPIQUAZAWRCDHB-LFVJCYFKSA-N 0 0 366.424 4.962 50 30 FJEARN S=C1N=NC(C2CCCCC2)N1N=Cc1c(Cl)cccc1Cl ZINC000238900760 526389569 /nfs/dbraw/zinc/38/95/69/526389569.db2.gz JSYAVMINBADQCO-UHFFFAOYSA-N 0 0 355.294 4.804 50 30 FJEARN S=C1N=NC(c2ccc(Cl)cc2Cl)N1N=CC=Cc1ccco1 ZINC000252429522 526389898 /nfs/dbraw/zinc/38/98/98/526389898.db2.gz ZARAEZZHTKGELK-QWKORFERSA-N 0 0 365.245 4.681 50 30 FJEARN O=C(OCC#CCSc1nc2ccccc2o1)c1cc2ccccc2o1 ZINC000002260389 526415605 /nfs/dbraw/zinc/41/56/05/526415605.db2.gz CDCFSINNCBTHAU-UHFFFAOYSA-N 0 0 363.394 4.527 50 30 FJEARN O=C(OCC#CCSc1nc2ccccc2s1)c1ccccc1Cl ZINC000016449401 526416373 /nfs/dbraw/zinc/41/63/73/526416373.db2.gz ZRQZAWVGIBORLL-UHFFFAOYSA-N 0 0 373.886 4.902 50 30 FJEARN O=C(Oc1c(/C=N/N2CCCCC2)sc2ccccc21)c1ccccc1 ZINC000002277874 526436945 /nfs/dbraw/zinc/43/69/45/526436945.db2.gz NBOUYAASMLELSF-PXLXIMEGSA-N 0 0 364.470 4.940 50 30 FJEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccccc1Cl ZINC000005156095 526443172 /nfs/dbraw/zinc/44/31/72/526443172.db2.gz WWOOPDCUXBWGCZ-ZDLGFXPLSA-N 0 0 366.756 4.768 50 30 FJEARN N#CCCN(CC1CC1)C(=O)c1ccc(Sc2ccc(Cl)cc2)o1 ZINC000096012389 526453795 /nfs/dbraw/zinc/45/37/95/526453795.db2.gz JNXKFYHEJSHKHE-UHFFFAOYSA-N 0 0 360.866 4.850 50 30 FJEARN Cl/C(C=NN1CCN(Cc2ccccc2Cl)CC1)=C\c1ccccc1 ZINC000245238552 526923689 /nfs/dbraw/zinc/92/36/89/526923689.db2.gz UCTUKMAOYUINRI-TUNHWAAVSA-N 0 0 374.315 4.723 50 30 FJEARN Clc1cccc(Cl)c1/C=N/n1cnnc1SCc1ccccc1 ZINC000001780576 526977928 /nfs/dbraw/zinc/97/79/28/526977928.db2.gz KNZYHYVYHSSQID-AWQFTUOYSA-N 0 0 363.273 4.759 50 30 FJEARN Clc1ccccc1CSc1nccc(C=NNc2ccccc2)n1 ZINC000013469648 526988738 /nfs/dbraw/zinc/98/87/38/526988738.db2.gz CJCSENGEDLJLLF-MTJSOVHGSA-N 0 0 354.866 4.868 50 30 FJEARN O=c1oc2ccccc2cc1-c1csc(N=NCc2ccccc2F)n1 ZINC000026687461 527499524 /nfs/dbraw/zinc/49/95/24/527499524.db2.gz XVMRMLGITUGNTH-UFFVCSGVSA-N 0 0 365.389 4.502 50 30 FJEARN O=c1oc2ccccc2cc1-c1csc(N=NC[C@@H]2CC=CCC2)n1 ZINC000004807584 527499787 /nfs/dbraw/zinc/49/97/87/527499787.db2.gz UGHGKIWJIWQYMO-AYPRBGQRSA-N 0 0 351.431 4.671 50 30 FJEARN O=C(/C=C/c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1)c1cccnc1 ZINC000006225999 527618428 /nfs/dbraw/zinc/61/84/28/527618428.db2.gz CVWXEAMDMUPTTM-YCRREMRBSA-N 0 0 364.332 4.817 50 30 FJEARN O=C(/C=C/c1ccccc1O)c1cccc(C(=O)/C=C\c2ccccc2O)c1 ZINC000013402990 527635373 /nfs/dbraw/zinc/63/53/73/527635373.db2.gz FRFLRNQXMSSLLA-PMJBJKLVSA-N 0 0 370.404 4.890 50 30 FJEARN O=C(/C=C/c1ccccc1O)c1cccc(C(=O)/C=C/c2ccccc2O)c1 ZINC000005583254 527635488 /nfs/dbraw/zinc/63/54/88/527635488.db2.gz FRFLRNQXMSSLLA-QUMQEAAQSA-N 0 0 370.404 4.890 50 30 FJEARN O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)c1ccncc1 ZINC000005863410 527646193 /nfs/dbraw/zinc/64/61/93/527646193.db2.gz MGSXAXOAQMTSOK-CMDGGOBGSA-N 0 0 371.465 4.951 50 30 FJEARN O=C(/C=C\c1cccc(C(F)(F)F)c1)c1cccc(N2CCCC2=O)c1 ZINC000096920229 527656876 /nfs/dbraw/zinc/65/68/76/527656876.db2.gz FOMDJQLKTSTAMD-KTKRTIGZSA-N 0 0 359.347 4.728 50 30 FJEARN O=C(C/C=N/OCc1ccc(Cl)cc1)c1cc(-c2ccccc2)no1 ZINC000004084961 527671372 /nfs/dbraw/zinc/67/13/72/527671372.db2.gz HBPFOFJOWHBGCN-SRZZPIQSSA-N 0 0 354.793 4.770 50 30 FJEARN N#Cc1c(SCc2cccc(F)c2)nc2c(c1C(F)(F)F)CCC2 ZINC000000663895 568063883 /nfs/dbraw/zinc/06/38/83/568063883.db2.gz VPYBPQHWVAFJNV-UHFFFAOYSA-N 0 0 352.356 4.892 50 30 FJEARN CC[C@H](Sc1nc2ccccc2s1)C(=O)Nc1ccccc1C#N ZINC000000781502 568216232 /nfs/dbraw/zinc/21/62/32/568216232.db2.gz BJLMZZTXIJCKAC-HNNXBMFYSA-N 0 0 353.472 4.677 50 30 FJEARN COc1cc(/C=C/C(=O)c2ccc(Br)cc2)cc(Cl)c1O ZINC000007717812 568253871 /nfs/dbraw/zinc/25/38/71/568253871.db2.gz XGVBIDYWMUJFTG-FARCUNLSSA-N 0 0 367.626 4.713 50 30 FJEARN C=CCSc1nnc2c(n1)O[C@H]([C@@H]1CC=C(C)CC1)Nc1ccccc1-2 ZINC000002874331 568377526 /nfs/dbraw/zinc/37/75/26/568377526.db2.gz HULRFKHPBCLKFO-RDTXWAMCSA-N 0 0 366.490 4.694 50 30 FJEARN N#Cc1c(N)c(C#N)c(-c2ccc3c(c2)OCO3)cc1-c1ccc(Cl)cc1 ZINC000012374691 568571572 /nfs/dbraw/zinc/57/15/72/568571572.db2.gz DHIHEJFRNSXEJZ-UHFFFAOYSA-N 0 0 373.799 4.728 50 30 FJEARN O=C(/C=C/c1ccc(N2CCCC2)c(O)c1)c1ccc2ccccc2c1[O-] ZINC000095217939 570451642 /nfs/dbraw/zinc/45/16/42/570451642.db2.gz AMGNYAWNIOBMGU-XYOKQWHBSA-N 0 0 359.425 4.747 50 30 FJEARN COc1ccc(C(=O)On2c(-c3ccccc3)cc3ccccc32)cc1OC ZINC000000723793 570452977 /nfs/dbraw/zinc/45/29/77/570452977.db2.gz CHEUWADQQZXVHZ-UHFFFAOYSA-N 0 0 373.408 4.595 50 30 FJEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccccc1 ZINC000000984385 570467861 /nfs/dbraw/zinc/46/78/61/570467861.db2.gz NRHBLGFDHIYWKL-IBGZPJMESA-N 0 0 355.437 4.624 50 30 FJEARN O=C1CCCC2=C1[C@@H](c1ccc3c(c1)OCO3)c1c(ccc3ncccc31)N2 ZINC000001079948 570479400 /nfs/dbraw/zinc/47/94/00/570479400.db2.gz XADSPRKQPAMPHK-NRFANRHFSA-N 0 0 370.408 4.528 50 30 FJEARN N#Cc1ccc(NCc2ncc(-c3cccc(Br)c3)o2)cc1 ZINC000072910890 570482934 /nfs/dbraw/zinc/48/29/34/570482934.db2.gz VZZZLTHMBZQJIN-UHFFFAOYSA-N 0 0 354.207 4.588 50 30 FJEARN COc1ccc(C(=O)C=CNc2ccccc2C(F)(F)F)cc1OC ZINC000001147505 570484322 /nfs/dbraw/zinc/48/43/22/570484322.db2.gz BSCQETVVKZYDAO-MDZDMXLPSA-N 0 0 351.324 4.531 50 30 FJEARN CCCN1C(=O)/C(=C/c2ccco2)S/C1=N/c1ccc(OCC)cc1 ZINC000097464887 570487805 /nfs/dbraw/zinc/48/78/05/570487805.db2.gz QEISHTNPNKSESL-CAUPHXMNSA-N 0 0 356.447 4.692 50 30 FJEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1ccc([N+](=O)[O-])s1 ZINC000001201301 570491885 /nfs/dbraw/zinc/49/18/85/570491885.db2.gz WJAGPGZQTFHZMS-GOSISDBHSA-N 0 0 369.446 4.878 50 30 FJEARN CC1(C)CC(=O)C(C(c2ccsc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 ZINC000100025481 570498391 /nfs/dbraw/zinc/49/83/91/570498391.db2.gz MZIDXLNHAAQXHZ-KRWDZBQOSA-N 0 0 374.502 4.607 50 30 FJEARN C[C@@H]1CCCC[C@@H]1NC=C1Nc2ccc(Br)c(Cl)c2C1=O ZINC000100152728 570500396 /nfs/dbraw/zinc/50/03/96/570500396.db2.gz FZRRFBNWMOBSBK-QMNRKCHLSA-N 0 0 369.690 4.720 50 30 FJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccccc1Cl ZINC000100436057 570504280 /nfs/dbraw/zinc/50/42/80/570504280.db2.gz SWNZLJOGBMQQQS-GOSISDBHSA-N 0 0 373.880 4.507 50 30 FJEARN CCOc1cc2c3c(c1)C(C)=CC(C)(C)N3C(=O)/C2=N\c1ccc(F)cc1 ZINC000101764457 570513306 /nfs/dbraw/zinc/51/33/06/570513306.db2.gz SZYNBSMQAZICPN-CLCOLTQESA-N 0 0 364.420 4.887 50 30 FJEARN Cc1ccc2cc(/C=N/NC(=S)Nc3ccc(F)cc3)c(Cl)nc2c1 ZINC000002506374 570522887 /nfs/dbraw/zinc/52/28/87/570522887.db2.gz UQQYOFSKBFZOOX-UFFVCSGVSA-N 0 0 372.856 4.656 50 30 FJEARN Cc1ccc(S(=O)(=O)Nc2ccccc2/C=N/c2cccc(C)c2)cc1 ZINC000100139961 570523552 /nfs/dbraw/zinc/52/35/52/570523552.db2.gz AYZNKGNUEDNTPT-PXLXIMEGSA-N 0 0 364.470 4.855 50 30 FJEARN CC[C@@H](SC)C(=O)Nc1nc(-c2ccc(Br)cn2)cs1 ZINC000328589898 570525396 /nfs/dbraw/zinc/52/53/96/570525396.db2.gz OFVGUEYSSCLPDA-LLVKDONJSA-N 0 0 372.313 4.697 50 30 FJEARN CCOC(=O)c1c(C)c(C)sc1NC=C1Sc2ccccc2C1=O ZINC000100209430 570541814 /nfs/dbraw/zinc/54/18/14/570541814.db2.gz INYQMKMBYJTJDP-NTEUORMPSA-N 0 0 359.472 4.784 50 30 FJEARN C[C@H]1C/C(=N\N=C2/SCC(=O)N2c2ccc(Cl)cc2)CC(C)(C)C1 ZINC000004871883 570553396 /nfs/dbraw/zinc/55/33/96/570553396.db2.gz ILUUFJCKAFIIBX-VYAMPKGHSA-N 0 0 363.914 4.978 50 30 FJEARN Cc1ccc(C2=CC(=NNc3cccc(C(F)(F)F)c3)C(=O)O2)c(C)c1 ZINC000003669905 570567520 /nfs/dbraw/zinc/56/75/20/570567520.db2.gz QRZFEYBGOBORFY-JLPGSUDCSA-N 0 0 360.335 4.688 50 30 FJEARN Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccccc1)C1=C(CCCC1=O)N2 ZINC000004965686 570568495 /nfs/dbraw/zinc/56/84/95/570568495.db2.gz XNLSHOOMKDKQQS-OAQYLSRUSA-N 0 0 373.431 4.884 50 30 FJEARN CCC(=O)N1c2ccccc2N=C2CCCC(=O)C2[C@@H]1c1ccc(C)cc1 ZINC000003904701 570571475 /nfs/dbraw/zinc/57/14/75/570571475.db2.gz LOIGLPPDJGAGJT-QHCPKHFHSA-N 0 0 360.457 4.912 50 30 FJEARN CC1(C)CC(=O)C2=C(C1)Nc1ccccc1N[C@@H]2c1nc2ccccc2[nH]1 ZINC000004004258 570572754 /nfs/dbraw/zinc/57/27/54/570572754.db2.gz VJXVDUMAVHNDDF-FQEVSTJZSA-N 0 0 358.445 4.785 50 30 FJEARN CC[C@H]1S/C(=N\N=C\c2ccc(C)cc2)N(Cc2ccccc2C)C1=O ZINC000033777414 570583325 /nfs/dbraw/zinc/58/33/25/570583325.db2.gz OSXNECNAZOIBEG-HTIXJGPSSA-N 0 0 365.502 4.548 50 30 FJEARN CC(=O)N1c2ccccc2NC2=C(C(=O)CCC2)[C@@H]1c1ccccc1Cl ZINC000005101057 570584636 /nfs/dbraw/zinc/58/46/36/570584636.db2.gz LIJQIQPQLOFZIF-NRFANRHFSA-N 0 0 366.848 4.867 50 30 FJEARN CC(C)c1ccc(CN(C(=O)[C@@H](C)Oc2ccc(C#N)cc2)C2CC2)cc1 ZINC000024135448 570593912 /nfs/dbraw/zinc/59/39/12/570593912.db2.gz GHEXAGVAICZVGU-QGZVFWFLSA-N 0 0 362.473 4.640 50 30 FJEARN Cc1cc(N2CCCC2)ccc1C=[NH+][N-]c1ccc(Br)cc1 ZINC000004620830 570598001 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C[C@@H](N[C@@H](C)C(=O)Nc1sccc1C#N)c1ccc(Cl)cc1Cl ZINC000057815972 205245752 /nfs/dbraw/zinc/24/57/52/205245752.db2.gz YWJBVJCTTCMDTH-ZJUUUORDSA-N 0 0 368.289 4.604 50 30 FJEARN Cc1nc(-c2cccs2)ccc1C(=O)Nc1ccc(Cl)c(C#N)c1 ZINC000058530943 205277726 /nfs/dbraw/zinc/27/77/26/205277726.db2.gz MDKWTGKZYALZKE-UHFFFAOYSA-N 0 0 353.834 4.896 50 30 FJEARN N#Cc1ccc(C(=O)Nc2ccsc2-c2nc(-c3ccccc3)no2)cc1 ZINC000065218773 205326140 /nfs/dbraw/zinc/32/61/40/205326140.db2.gz NUQCSAJPBNLUCS-UHFFFAOYSA-N 0 0 372.409 4.589 50 30 FJEARN N#Cc1ccnc(NCc2cccnc2Oc2cccc(C(F)(F)F)c2)c1 ZINC000067604687 205376632 /nfs/dbraw/zinc/37/66/32/205376632.db2.gz APADEXDVNALHSN-UHFFFAOYSA-N 0 0 370.334 4.771 50 30 FJEARN Cc1cccc2cc(C#N)c(SCc3nnc(-c4ccccc4)o3)nc12 ZINC000000977019 206142514 /nfs/dbraw/zinc/14/25/14/206142514.db2.gz YMFFYDTXEAZDJT-UHFFFAOYSA-N 0 0 358.426 4.757 50 30 FJEARN N#Cc1c2nc3ccccc3n2c(NCCc2ccccc2)c2c1CCCC2 ZINC000000941787 206142551 /nfs/dbraw/zinc/14/25/51/206142551.db2.gz 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/nfs/dbraw/zinc/16/69/68/206166968.db2.gz IWVBXXXBOQTTDZ-UHFFFAOYSA-N 0 0 358.466 4.952 50 30 FJEARN COc1ccc(C(=O)C=CNc2ccc(Cl)cc2Cl)cc1OC ZINC000005558893 206197205 /nfs/dbraw/zinc/19/72/05/206197205.db2.gz PMPWKQCJKQOSKW-BQYQJAHWSA-N 0 0 352.217 4.819 50 30 FJEARN COc1ccc(/C=C2\S/C(=N\c3ccc(C)c(C)c3)NC2=O)cc1Cl ZINC000005797466 206197776 /nfs/dbraw/zinc/19/77/76/206197776.db2.gz DLHIZHOJLOSFMH-YVLHZVERSA-N 0 0 372.877 4.857 50 30 FJEARN Cc1ccc(C(C)N=Nc2nc(-c3cccnc3)nc3ccccc32)cc1 ZINC000008656327 206215640 /nfs/dbraw/zinc/21/56/40/206215640.db2.gz RUGBTAIKJYLGMA-WGOQTCKBSA-N 0 0 353.429 4.836 50 30 FJEARN C=CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC ZINC000002876119 206231235 /nfs/dbraw/zinc/23/12/35/206231235.db2.gz NUIZQPVHLWPANU-UHFFFAOYSA-N 0 0 365.351 4.921 50 30 FJEARN COc1cc([C@@H]2C3=C(NC4=C2C(=O)CCC4)c2ccccc2C3=O)ccc1O ZINC000104171224 206235377 /nfs/dbraw/zinc/23/53/77/206235377.db2.gz DWYMHALUOYUEEF-IBGZPJMESA-N 0 0 373.408 4.543 50 30 FJEARN CC1(C)CC(=O)C2=C(C1)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(F)cc1 ZINC000004650373 206238111 /nfs/dbraw/zinc/23/81/11/206238111.db2.gz MOANQVTXHRMDDM-LJQANCHMSA-N 0 0 373.427 4.763 50 30 FJEARN CCCCCCCC1=NN2C(=NC(=O)/C(=C\c3cccs3)C2=N)S1 ZINC000033354122 211602417 /nfs/dbraw/zinc/60/24/17/211602417.db2.gz WIGWGIWRBPEWTF-DTIOJQSLSA-N 0 0 360.508 4.728 50 30 FJEARN Cc1ccc(OCc2ccc(-c3nc(C#N)c(NC(C)C)o3)o2)cc1C ZINC000033027222 211585253 /nfs/dbraw/zinc/58/52/53/211585253.db2.gz RKGFBTGGIDSPKG-UHFFFAOYSA-N 0 0 351.406 4.822 50 30 FJEARN C[C@@H](NC(=O)c1ccccc1Sc1ccccc1C#N)c1ccccn1 ZINC000032973758 211579161 /nfs/dbraw/zinc/57/91/61/211579161.db2.gz HMVMOUZTPQSYGL-OAHLLOKOSA-N 0 0 359.454 4.595 50 30 FJEARN C=C(C)Cn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cc(C)cc(C)c2)C1 ZINC000004033527 206287129 /nfs/dbraw/zinc/28/71/29/206287129.db2.gz WCPJLXBBBICSKX-GOSISDBHSA-N 0 0 359.473 4.750 50 30 FJEARN C=C(C)c1cccc(C(C)(C)NC(=O)Nc2cc([N+](=O)[O-])ccc2C)c1 ZINC000003216421 206340510 /nfs/dbraw/zinc/34/05/10/206340510.db2.gz HGINBATXJACBEE-UHFFFAOYSA-N 0 0 353.422 4.993 50 30 FJEARN O=[N+]([O-])c1cc(/N=C\Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl ZINC000004825241 206545654 /nfs/dbraw/zinc/54/56/54/206545654.db2.gz KMVCESCQAHOQHX-UHFFFAOYSA-N 0 0 355.137 4.582 50 30 FJEARN Cc1ccc(S(=O)(=O)c2oc(-c3cccc4ccccc43)nc2C#N)cc1 ZINC000252482365 206571717 /nfs/dbraw/zinc/57/17/17/206571717.db2.gz DDVCSCFCTLYBJP-UHFFFAOYSA-N 0 0 374.421 4.508 50 30 FJEARN CC(C)(C)c1noc2c1[C@H](c1cccnc1)C1=C(CC(C)(C)CC1=O)N2 ZINC000020725643 211293795 /nfs/dbraw/zinc/29/37/95/211293795.db2.gz FUZNWRUPJNMHMY-OAHLLOKOSA-N 0 0 351.450 4.568 50 30 FJEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1ccc(F)cc1 ZINC000020169441 211270765 /nfs/dbraw/zinc/27/07/65/211270765.db2.gz WMOBLWOSLUGWMX-FPOVZHCZSA-N 0 0 373.427 4.868 50 30 FJEARN CC(C)N1C/C(=C\c2ccc(F)cc2)C(=O)/C(=C/c2ccc(F)cc2)C1 ZINC000019597290 211240479 /nfs/dbraw/zinc/24/04/79/211240479.db2.gz RRHSEVXTBDLMRI-GDAWTGGTSA-N 0 0 353.412 4.725 50 30 FJEARN Clc1ccccc1CN1CCN(/N=C/c2cccc3ccccc23)CC1 ZINC000019626266 211239976 /nfs/dbraw/zinc/23/99/76/211239976.db2.gz IAJVUCMQBKWXSC-LFVJCYFKSA-N 0 0 363.892 4.645 50 30 FJEARN CC1(C)CC(=O)C2=C(C1)N=C1c3ccccc3C(=O)[C@H]1[C@H]2c1cccc(F)c1 ZINC000019461111 211223707 /nfs/dbraw/zinc/22/37/07/211223707.db2.gz NSIYYZKIKLAHRG-FPOVZHCZSA-N 0 0 373.427 4.868 50 30 FJEARN CCOc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(Cl)s3)S2)cc1 ZINC000018255111 211198331 /nfs/dbraw/zinc/19/83/31/211198331.db2.gz SVSNYFWTXRPFQP-LCYFTJDESA-N 0 0 364.879 4.692 50 30 FJEARN O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1cc3c(cc1N2)OCO3 ZINC000018196729 211194217 /nfs/dbraw/zinc/19/42/17/211194217.db2.gz GUWSBGIYJVXDDU-IBGZPJMESA-N 0 0 353.805 4.633 50 30 FJEARN COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1)C1=C(CCCC1=O)N2 ZINC000018197675 211194305 /nfs/dbraw/zinc/19/43/05/211194305.db2.gz SVODOUZYRZUOSY-HXUWFJFHSA-N 0 0 369.848 4.922 50 30 FJEARN Cc1ccc(NC(=NS(=O)(=O)c2ccc(C)cc2)c2ccccc2)cc1 ZINC000015777261 211143718 /nfs/dbraw/zinc/14/37/18/211143718.db2.gz KSUBILQYWMPGEL-UHFFFAOYSA-N 0 0 364.470 4.551 50 30 FJEARN N#Cc1ccc(-c2ccc(OC(=O)C3C[C@H]4CCC[C@@H](C3)C4=O)cc2)cc1 ZINC000014905688 211103526 /nfs/dbraw/zinc/10/35/26/211103526.db2.gz OVKKNAWSIGDMLF-YOFSQIOKSA-N 0 0 359.425 4.526 50 30 FJEARN Cc1noc2c1[C@H](c1ccccc1)C1=C(C[C@@H](c3ccc(O)cc3)CC1=O)N2 ZINC000013655810 211046176 /nfs/dbraw/zinc/04/61/76/211046176.db2.gz OGILBNNCZIBGHL-IERDGZPVSA-N 0 0 372.424 4.647 50 30 FJEARN Cc1ccc(NC(=NS(=O)(=O)c2cccs2)c2ccccc2)c(C)c1 ZINC000013523609 211037614 /nfs/dbraw/zinc/03/76/14/211037614.db2.gz XSOCTUMRZKXSIW-UHFFFAOYSA-N 0 0 370.499 4.613 50 30 FJEARN CC1(C)Cc2c(C#N)c(NCCc3ccccc3)nc(-c3ccco3)c2CO1 ZINC000013116021 211025066 /nfs/dbraw/zinc/02/50/66/211025066.db2.gz ZICILCWQDGGMQM-UHFFFAOYSA-N 0 0 373.456 4.719 50 30 FJEARN N#Cc1ccccc1OCC(=O)OCc1sc2ccccc2c1Cl ZINC000012884745 211002327 /nfs/dbraw/zinc/00/23/27/211002327.db2.gz OPJVZEHCMPJTPG-UHFFFAOYSA-N 0 0 357.818 4.549 50 30 FJEARN Cc1ccc(N[C@H](C)C(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)c1 ZINC000012556263 210968376 /nfs/dbraw/zinc/96/83/76/210968376.db2.gz YBSDUCXQFKNWLA-OAHLLOKOSA-N 0 0 367.518 4.945 50 30 FJEARN Cc1cc(-c2cc(C(=O)Nc3cccc(C#N)c3)c3c(C)noc3n2)c(C)o1 ZINC000011557952 210886107 /nfs/dbraw/zinc/88/61/07/210886107.db2.gz YALZARLCSMLMRK-UHFFFAOYSA-N 0 0 372.384 4.532 50 30 FJEARN COC(=O)c1ccc(CSc2nc(-c3ccccc3)ccc2C#N)cc1 ZINC000009970829 210858934 /nfs/dbraw/zinc/85/89/34/210858934.db2.gz WXDGXQVUYMDLSB-UHFFFAOYSA-N 0 0 360.438 4.699 50 30 FJEARN COCCSc1nc2c(c(C(F)(F)F)c1C#N)C[C@@H](C(C)(C)C)CC2 ZINC000009423925 210832929 /nfs/dbraw/zinc/83/29/29/210832929.db2.gz NBKDLUMLENNZRT-NSHDSACASA-N 0 0 372.456 4.862 50 30 FJEARN COc1ccc(C2=C(Nc3ccccc3OC)c3ccccc3C2=O)cc1 ZINC000006793503 210703154 /nfs/dbraw/zinc/70/31/54/210703154.db2.gz PWXMYQKYQGHWCR-UHFFFAOYSA-N 0 0 357.409 4.881 50 30 FJEARN CC[C@H]1CCc2c(C#N)c(NC(=O)COc3ccc(C)cc3C)sc2C1 ZINC000006707693 210689907 /nfs/dbraw/zinc/68/99/07/210689907.db2.gz 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570587985 /nfs/dbraw/zinc/58/79/85/570587985.db2.gz PVXBNQMAIQYTEC-UHFFFAOYSA-N 0 0 352.503 4.964 50 30 FJEARN C[C@H]1CCCCC1N=Nc1ccc(C(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000004593045 570597232 /nfs/dbraw/zinc/59/72/32/570597232.db2.gz UITJXZIZOUPSRP-KTNMXJNISA-N 0 0 366.421 4.825 50 30 FJEARN CSc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc4ccccc4n32)cc1 ZINC000004684686 570600508 /nfs/dbraw/zinc/60/05/08/570600508.db2.gz ALKKTDYAZBOLDO-HXUWFJFHSA-N 0 0 361.470 4.780 50 30 FJEARN COc1ccc([N+](=O)[O-])cc1NC=CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000004706914 570602338 /nfs/dbraw/zinc/60/23/38/570602338.db2.gz WBOSLIDNCSVGSN-SREVYHEPSA-N 0 0 367.188 4.719 50 30 FJEARN CCCSC1=N/C(=C\c2cc(OC)ccc2Br)C(=O)S1 ZINC000004906689 570612817 /nfs/dbraw/zinc/61/28/17/570612817.db2.gz IKFZCFIKRIMKGZ-WQLSENKSSA-N 0 0 372.309 4.571 50 30 FJEARN Cc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2c2ccccc2)cc1 ZINC000005446303 570627411 /nfs/dbraw/zinc/62/74/11/570627411.db2.gz IKHJYKUDRFNZOL-OAQYLSRUSA-N 0 0 369.420 4.778 50 30 FJEARN Cc1ccccc1/N=C1/NC(=O)/C(=C/c2ccc(Br)cc2)S1 ZINC000005551154 570630287 /nfs/dbraw/zinc/63/02/87/570630287.db2.gz QTHKQSAWBOONSQ-GDNBJRDFSA-N 0 0 373.275 4.649 50 30 FJEARN O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S[C@@H]1Cc1ccc(F)cc1 ZINC000005649523 570632636 /nfs/dbraw/zinc/63/26/36/570632636.db2.gz VOYKBPRMDKPXAU-CQSZACIVSA-N 0 0 369.248 4.594 50 30 FJEARN O=[N+]([O-])c1ccc(OC(F)F)c(/C=N/c2cccc(C(F)(F)F)c2)c1 ZINC000005713837 570634045 /nfs/dbraw/zinc/63/40/45/570634045.db2.gz BJRXEBOIRNGIGV-ODCIPOBUSA-N 0 0 360.238 4.966 50 30 FJEARN N#Cc1cccc(/C=C/C(=O)Nc2c(F)cccc2OCc2ccccc2)c1 ZINC000078813602 570634332 /nfs/dbraw/zinc/63/43/32/570634332.db2.gz CYZKFTVVDMIIFZ-OUKQBFOZSA-N 0 0 372.399 4.928 50 30 FJEARN C=CCn1c2ccccc2nc1[C@H]1CC(=O)N(c2ccc(Cl)c(C)c2)C1 ZINC000005235907 570638454 /nfs/dbraw/zinc/63/84/54/570638454.db2.gz BIYJZFDYHVJYCM-HNNXBMFYSA-N 0 0 365.864 4.705 50 30 FJEARN Cc1ccsc1[C@H]1c2c(C)nn(C(C)(C)C)c2NC2=C1C(=O)CCC2 ZINC000005411816 570654107 /nfs/dbraw/zinc/65/41/07/570654107.db2.gz 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ZINC000005514485 570666446 /nfs/dbraw/zinc/66/64/46/570666446.db2.gz VPRYVGNOTTVLDN-RGVLZGJSSA-N 0 0 365.414 4.576 50 30 FJEARN CC1=C(C(=O)c2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 ZINC000005517409 570666589 /nfs/dbraw/zinc/66/65/89/570666589.db2.gz JTDTXFYTRWZVNY-MRXNPFEDSA-N 0 0 361.228 4.504 50 30 FJEARN S=c1[nH]ncn1N=Cc1c(OCc2ccccc2)ccc2ccccc21 ZINC000005522804 570667141 /nfs/dbraw/zinc/66/71/41/570667141.db2.gz DNPKFDJYPLVXEJ-WSDLNYQXSA-N 0 0 360.442 4.555 50 30 FJEARN Cc1cccc(/N=C2\S/C(=C3\Sc4ccccc4N3C)C(=O)N2C)c1 ZINC000003022036 570680334 /nfs/dbraw/zinc/68/03/34/570680334.db2.gz HZDRZFXFOUCZJE-FRKBGCJLSA-N 0 0 367.499 4.599 50 30 FJEARN C/C(=N\N1CCN(c2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 ZINC000012362243 570738569 /nfs/dbraw/zinc/73/85/69/570738569.db2.gz JNQOODVQPOXQBG-LKUDQCMESA-N 0 0 355.485 4.900 50 30 FJEARN COc1ccc(C2=C([Si](C)(C)C)[C@@H](c3ccc(OC)cc3)C2=O)cc1 ZINC000200020171 570768153 /nfs/dbraw/zinc/76/81/53/570768153.db2.gz NEMFQUSYDJFPQG-SFHVURJKSA-N 0 0 352.506 4.701 50 30 FJEARN CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1cccc(Cl)c1 ZINC000013285539 570776214 /nfs/dbraw/zinc/77/62/14/570776214.db2.gz VLBIQYJSLQRXQW-SFHVURJKSA-N 0 0 373.880 4.507 50 30 FJEARN O=C1N/C(=N\c2ccc(F)cc2)S[C@@H]1Cc1cccc(Cl)c1Cl ZINC000013564226 570779449 /nfs/dbraw/zinc/77/94/49/570779449.db2.gz NTNROJBQMZPYJS-CYBMUJFWSA-N 0 0 369.248 4.594 50 30 FJEARN O=C(COc1ccc2c(c1)OC(=Cc1cccc(F)c1)C2=O)c1ccccc1 ZINC000013629761 570781189 /nfs/dbraw/zinc/78/11/89/570781189.db2.gz CICJIQZGUMEMKH-UUYOSTAYSA-N 0 0 374.367 4.704 50 30 FJEARN CC1(C)C[C@]2(CCO1)C(Nc1ccccc1)=NC(=S)N2c1ccccc1 ZINC000013865247 570793839 /nfs/dbraw/zinc/79/38/39/570793839.db2.gz NGNMHUMNTPTJCX-OAQYLSRUSA-N 0 0 365.502 4.850 50 30 FJEARN COc1ccc(C(C)N=Nc2nc(-c3ccccc3)c(C)s2)cc1OC ZINC000013895913 570795136 /nfs/dbraw/zinc/79/51/36/570795136.db2.gz CPYHLQSUESGBTA-LPYMAVHISA-N 0 0 367.474 4.972 50 30 FJEARN N#Cc1cc([N+](=O)[O-])cnc1N[C@H](c1ccccc1)c1ccc(Cl)cc1 ZINC000032806396 570805708 /nfs/dbraw/zinc/80/57/08/570805708.db2.gz BVJKAVWZGCPMIW-GOSISDBHSA-N 0 0 364.792 4.716 50 30 FJEARN CNc1cc(Nc2cccc(C)c2)c2c3c1noc3-c1ccccc1C2=O ZINC000018080866 570807349 /nfs/dbraw/zinc/80/73/49/570807349.db2.gz YGGFSKGPCLMKNW-LFVJCYFKSA-N 0 0 355.397 4.690 50 30 FJEARN O=C1N/C(=N/c2ccc(Cl)cc2Cl)S/C1=C/c1cccs1 ZINC000018158215 570813420 /nfs/dbraw/zinc/81/34/20/570813420.db2.gz SDBDUHXFEGNKIY-KPKJPENVSA-N 0 0 355.271 4.947 50 30 FJEARN COc1cc2c(cc1OC)[C@H](c1cccc(Cl)c1)C1=C(CCCC1=O)N2 ZINC000018197676 570814681 /nfs/dbraw/zinc/81/46/81/570814681.db2.gz FSTOVNRFVLVECN-FQEVSTJZSA-N 0 0 369.848 4.922 50 30 FJEARN Cc1nc(N=NCc2ccc(OC(=O)c3cccc(C)c3)cc2)sc1C ZINC000014257494 570816769 /nfs/dbraw/zinc/81/67/69/570816769.db2.gz QAEDJSJOOFRBSL-CIAFOILYSA-N 0 0 365.458 4.734 50 30 FJEARN Brc1ccc(-n2cccc2/C=N/c2ccc3c(c2)OCO3)cc1 ZINC000015013433 570829247 /nfs/dbraw/zinc/82/92/47/570829247.db2.gz NSQNSLYZMMDEFQ-RGVLZGJSSA-N 0 0 369.218 4.719 50 30 FJEARN CC1(C)CC(=O)C(=CN[C@H](c2ccccc2)c2ccc(Cl)cc2)C(=O)C1 ZINC000102223823 570829341 /nfs/dbraw/zinc/82/93/41/570829341.db2.gz WRIWBNNBIXRBON-OAQYLSRUSA-N 0 0 367.876 4.861 50 30 FJEARN CC1(C)CC(=O)C(=CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)C(=O)C1 ZINC000102223817 570829342 /nfs/dbraw/zinc/82/93/42/570829342.db2.gz WRIWBNNBIXRBON-NRFANRHFSA-N 0 0 367.876 4.861 50 30 FJEARN Cc1sc(NC=C2C(=O)CC(C)(C)CC2=O)nc1-c1ccc(F)cc1 ZINC000103840894 570852644 /nfs/dbraw/zinc/85/26/44/570852644.db2.gz BGUPRAGTFZWTET-UHFFFAOYSA-N 0 0 358.438 4.512 50 30 FJEARN Cc1c(C)n(Cc2ccccc2)c(NC(=O)c2ccccc2Cl)c1C#N ZINC000005724513 570861560 /nfs/dbraw/zinc/86/15/60/570861560.db2.gz NDOYXMKUYYKUFL-UHFFFAOYSA-N 0 0 363.848 4.931 50 30 FJEARN C=C(Cl)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 ZINC000005736496 570867283 /nfs/dbraw/zinc/86/72/83/570867283.db2.gz YTVUKLLDODPTJS-UHFFFAOYSA-N 0 0 357.866 4.788 50 30 FJEARN Cc1cccn2c(=O)c(/C=N/c3ccccc3)c(Nc3ccccc3F)nc12 ZINC000018168513 570876058 /nfs/dbraw/zinc/87/60/58/570876058.db2.gz 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571055072 /nfs/dbraw/zinc/05/50/72/571055072.db2.gz GZNHAIBGFYBYOK-UHFFFAOYSA-N 0 0 360.792 4.787 50 30 FJEARN Cc1cc2cc(CNC(=S)Nc3ccc(OC(F)F)cc3)ccc2[nH]1 ZINC000008685207 571055106 /nfs/dbraw/zinc/05/51/06/571055106.db2.gz CCKGVFBDIDGUCU-UHFFFAOYSA-N 0 0 361.417 4.976 50 30 FJEARN C[C@@H](Oc1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000008735030 571058525 /nfs/dbraw/zinc/05/85/25/571058525.db2.gz UBNQFDDLGZJWLT-SNVBAGLBSA-N 0 0 368.742 4.636 50 30 FJEARN C=CCS[C@@H](C)C(=O)Nc1ccc(NC(=O)C(C)(C)C)c(Cl)c1 ZINC000055307093 571058730 /nfs/dbraw/zinc/05/87/30/571058730.db2.gz URRAJZGXPKGQBR-NSHDSACASA-N 0 0 354.903 4.571 50 30 FJEARN COc1ccc([C@@H](C#N)c2ccc(C(=O)c3ccccc3)cc2)cc1OC ZINC000001397747 571060198 /nfs/dbraw/zinc/06/01/98/571060198.db2.gz WDRPNTANSXDVJV-FQEVSTJZSA-N 0 0 357.409 4.590 50 30 FJEARN N#Cc1c(N)c(C(=O)c2ccccc2)sc1SCc1ccccc1 ZINC000001402665 571061998 /nfs/dbraw/zinc/06/19/98/571061998.db2.gz YWSVGEAQMMJGCH-UHFFFAOYSA-N 0 0 350.468 4.725 50 30 FJEARN C=CCn1nc(C)c(-c2c(-c3ccccc3)ncn2Cc2ccccn2)c1C ZINC000065372073 571073812 /nfs/dbraw/zinc/07/38/12/571073812.db2.gz LDTUCSWEPSZXNY-UHFFFAOYSA-N 0 0 369.472 4.660 50 30 FJEARN C=CCc1cccc2c1Oc1cc([N+](=O)[O-])cc(N(C)C(C)=O)c1C=C2 ZINC000001430457 571075455 /nfs/dbraw/zinc/07/54/55/571075455.db2.gz JEEFQEVCHCSCKM-UHFFFAOYSA-N 0 0 350.374 4.582 50 30 FJEARN CC(C)(C)n1cc(C#N)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000084325766 571082204 /nfs/dbraw/zinc/08/22/04/571082204.db2.gz IZUCWCCZQBFMEJ-UHFFFAOYSA-N 0 0 350.249 4.603 50 30 FJEARN N#CCCn1c2ccccc2c2c3c(c4c5ccccc5[nH]c4c21)C(=O)NC3 ZINC000001554667 571082870 /nfs/dbraw/zinc/08/28/70/571082870.db2.gz OYIIOLJNSPALSW-UHFFFAOYSA-N 0 0 364.408 4.586 50 30 FJEARN Cc1nn(-c2ccccc2)c(Cl)c1C=NN=c1[nH]c2ccccc2s1 ZINC000008996066 571090757 /nfs/dbraw/zinc/09/07/57/571090757.db2.gz DXRYSYQJGFDWHN-RGVLZGJSSA-N 0 0 367.865 4.890 50 30 FJEARN C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)nnc1C1CC1 ZINC000012777703 571096888 /nfs/dbraw/zinc/09/68/88/571096888.db2.gz 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0 0 370.412 4.738 50 30 FJEARN COc1ccc(/C=N/c2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000002330019 571318110 /nfs/dbraw/zinc/31/81/10/571318110.db2.gz DWQHDKCKNKWAFZ-SRZZPIQSSA-N 0 0 362.410 4.676 50 30 FJEARN CCC(CC)[C@@H]1c2ccc3ccccc3c2Oc2nc(N)c(C#N)c(N)c21 ZINC000253470919 571318550 /nfs/dbraw/zinc/31/85/50/571318550.db2.gz IHLKDDGRLJIBMS-QGZVFWFLSA-N 0 0 358.445 4.945 50 30 FJEARN CC(C)(C)c1ccc(C(=O)Nc2cccc(C#N)c2)cc1Br ZINC000000675338 571319085 /nfs/dbraw/zinc/31/90/85/571319085.db2.gz JQLDSQZFCUCFDI-UHFFFAOYSA-N 0 0 357.251 4.871 50 30 FJEARN N#Cc1ccc(Oc2cccc(Oc3ccc(C#N)c(C#N)c3)c2)cc1C#N ZINC000000639056 571319117 /nfs/dbraw/zinc/31/91/17/571319117.db2.gz SSIIVKRGBWPLNS-UHFFFAOYSA-N 0 0 362.348 4.758 50 30 FJEARN N#Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)cc1 ZINC000000633008 571319123 /nfs/dbraw/zinc/31/91/23/571319123.db2.gz APFOHKPIFBKQSM-UHFFFAOYSA-N 0 0 364.408 4.663 50 30 FJEARN O=C1Nc2ccc(Br)cc2/C1=N/c1ccc(Cl)c(Cl)c1 ZINC000018156528 571319144 /nfs/dbraw/zinc/31/91/44/571319144.db2.gz LGWFPLGKJQEJGN-UHFFFAOYSA-N 0 0 370.033 4.829 50 30 FJEARN N#Cc1cccc(-c2c(-c3ccccc3)ncn2Cc2ccc(CO)cc2)c1 ZINC000065370421 571321122 /nfs/dbraw/zinc/32/11/22/571321122.db2.gz CICKWULMCRPNSX-UHFFFAOYSA-N 0 0 365.436 4.629 50 30 FJEARN CC(C)c1nc(Cn2cnc(-c3ccccc3)c2-c2ccccc2C#N)no1 ZINC000065463668 571321135 /nfs/dbraw/zinc/32/11/35/571321135.db2.gz KNWWSUXDOWBNFM-UHFFFAOYSA-N 0 0 369.428 4.643 50 30 FJEARN CCN(Cc1cnn(C(C)C)c1)C(=O)c1cccc(-c2ccccc2C#N)c1 ZINC000426690717 571322221 /nfs/dbraw/zinc/32/22/21/571322221.db2.gz RGAGQQPLXPNGPA-UHFFFAOYSA-N 0 0 372.472 4.665 50 30 FJEARN C=CCOc1ccccc1/C=C1\SC(=S)N(c2ccccc2)C1=O ZINC000012377734 571322346 /nfs/dbraw/zinc/32/23/46/571322346.db2.gz IANXRPRDMVWHSY-LGMDPLHJSA-N 0 0 353.468 4.657 50 30 FJEARN O=C(Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O)c1ccc(Cl)cc1 ZINC000002441124 571322379 /nfs/dbraw/zinc/32/23/79/571322379.db2.gz RRAWWQCBVFWXMV-ZDLGFXPLSA-N 0 0 366.756 4.768 50 30 FJEARN CN1C/C(=C\c2ccc(Cl)cc2)C(=O)/C(=C\c2ccc(Cl)cc2)C1 ZINC000012604643 571322522 /nfs/dbraw/zinc/32/25/22/571322522.db2.gz BNQZONUOANLYOV-VRNBXGKJSA-N 0 0 358.268 4.975 50 30 FJEARN COc1ccc(OC)c(/C=C2\Oc3cc(OCC=C(C)C)ccc3C2=O)c1 ZINC000012861683 571322772 /nfs/dbraw/zinc/32/27/72/571322772.db2.gz XHGQZSKBTUZPJZ-MTJSOVHGSA-N 0 0 366.413 4.665 50 30 FJEARN ClC(/C=N/N1CCN(Cc2ccc(Cl)cc2)CC1)=C\c1ccccc1 ZINC000019849084 571327454 /nfs/dbraw/zinc/32/74/54/571327454.db2.gz BDPSNXCQQWFUHW-PDIADDBYSA-N 0 0 374.315 4.723 50 30 FJEARN Cc1oc(-n2cccc2)c(C#N)c1C(=O)N[C@H](C)c1cccc2ccccc21 ZINC000020012987 571327816 /nfs/dbraw/zinc/32/78/16/571327816.db2.gz MEXQCNKWIKPYSV-OAHLLOKOSA-N 0 0 369.424 4.895 50 30 FJEARN N#Cc1c(N)nc2c(c1-c1ccc(Br)cc1)CCCCCC2 ZINC000020478929 571329805 /nfs/dbraw/zinc/32/98/05/571329805.db2.gz HDOHXXCUNTZUOQ-UHFFFAOYSA-N 0 0 356.267 4.624 50 30 FJEARN C=CCNC(=O)c1ccccc1NCc1ncc(-c2ccccc2Cl)o1 ZINC000080756481 571331657 /nfs/dbraw/zinc/33/16/57/571331657.db2.gz ULIAKYPADLKXMI-UHFFFAOYSA-N 0 0 367.836 4.523 50 30 FJEARN Cc1nn(-c2ccccc2)c(C)c1C(=O)/C=C\c1ccccc1OC(F)F ZINC000096310902 571335222 /nfs/dbraw/zinc/33/52/22/571335222.db2.gz AUBUOEQEWQHXIF-SEYXRHQNSA-N 0 0 368.383 4.987 50 30 FJEARN N#C[C@]1(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)CC12CCCC2 ZINC000333620604 571335856 /nfs/dbraw/zinc/33/58/56/571335856.db2.gz YJAIKQZRFPPMMY-FQEVSTJZSA-N 0 0 352.434 4.531 50 30 FJEARN CCOc1ccc(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)cc1 ZINC000028250305 571338854 /nfs/dbraw/zinc/33/88/54/571338854.db2.gz UJZAFLXCXJYDFL-CQSZACIVSA-N 0 0 368.502 4.715 50 30 FJEARN C=C(C)CSc1nc2ccccc2c(=O)n1-c1ccc(OC)c(Cl)c1 ZINC000002619002 571339252 /nfs/dbraw/zinc/33/92/52/571339252.db2.gz HRCKVBRBAXCKDC-UHFFFAOYSA-N 0 0 372.877 4.716 50 30 FJEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)CCc3ccc(OC)cc3)sc2C1 ZINC000002741810 571340731 /nfs/dbraw/zinc/34/07/31/571340731.db2.gz DNKGIWZIPXBKQP-CQSZACIVSA-N 0 0 368.502 4.715 50 30 FJEARN N#Cc1cnn2c1N[C@H](c1ccc(Cl)c(Cl)c1)C[C@H]2C(F)(F)F ZINC000002766703 571340835 /nfs/dbraw/zinc/34/08/35/571340835.db2.gz PIMDOMOARPJKEZ-RYUDHWBXSA-N 0 0 361.154 4.722 50 30 FJEARN CCOc1ccc2oc(C(=O)Nc3sc(C)c(C)c3C#N)c(C)c2c1 ZINC000028886427 571341289 /nfs/dbraw/zinc/34/12/89/571341289.db2.gz OBZRMHBUDQFPTE-UHFFFAOYSA-N 0 0 354.431 4.942 50 30 FJEARN CCc1cccc2c(C(=O)C(F)(F)F)cn(Cc3ccc(C#N)cc3)c21 ZINC000002838181 571341332 /nfs/dbraw/zinc/34/13/32/571341332.db2.gz QGSJAEXTTVPMAL-UHFFFAOYSA-N 0 0 356.347 4.869 50 30 FJEARN Clc1nc2sccn2c1/C=N/OCc1ccc(Cl)cc1Cl ZINC000003027890 571343723 /nfs/dbraw/zinc/34/37/23/571343723.db2.gz DGNLBMNWPKBASD-UBKPWBPPSA-N 0 0 360.653 4.907 50 30 FJEARN N#Cc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)cc1 ZINC000003908523 571353079 /nfs/dbraw/zinc/35/30/79/571353079.db2.gz OFHGDDXTHLRIQR-UHFFFAOYSA-N 0 0 358.184 4.772 50 30 FJEARN N#Cc1ccc(-c2ccccc2Cl)n(Cc2ccc(Cl)cc2)c1=O ZINC000004002141 571353917 /nfs/dbraw/zinc/35/39/17/571353917.db2.gz KEZYVWITGBLGGB-UHFFFAOYSA-N 0 0 355.224 4.742 50 30 FJEARN Cc1ccc(/C=N\Nc2nc(-c3cc4ccccc4oc3=O)cs2)cc1 ZINC000031844625 571353991 /nfs/dbraw/zinc/35/39/91/571353991.db2.gz WKMNJMZXTZBDPA-NHDPSOOVSA-N 0 0 361.426 4.671 50 30 FJEARN N#Cc1ccc(-c2csc(NC(=O)/C=C/c3ccccc3Cl)n2)cc1 ZINC000004079558 571354907 /nfs/dbraw/zinc/35/49/07/571354907.db2.gz LFJOHDWVPJRREV-MDZDMXLPSA-N 0 0 365.845 4.987 50 30 FJEARN C=CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 ZINC000004170246 571356319 /nfs/dbraw/zinc/35/63/19/571356319.db2.gz PNDIWFPWHBHBEM-GOSISDBHSA-N 0 0 367.470 4.636 50 30 FJEARN N#Cc1cccc(COc2cccc(NC(=O)c3c(F)cccc3F)c2)c1 ZINC000032290680 571356942 /nfs/dbraw/zinc/35/69/42/571356942.db2.gz BZRMJGNFAUQVCY-UHFFFAOYSA-N 0 0 364.351 4.668 50 30 FJEARN N#Cc1ccc(-c2csc(NC(=O)c3ccc4c(c3)CCCC4)n2)cc1 ZINC000004224275 571357031 /nfs/dbraw/zinc/35/70/31/571357031.db2.gz QLWBSRLZVKPIAL-UHFFFAOYSA-N 0 0 359.454 4.813 50 30 FJEARN CC(C)(C)c1ccc(-c2csc(NC(=O)c3cnccc3C#N)n2)cc1 ZINC000239637089 209892531 /nfs/dbraw/zinc/89/25/31/209892531.db2.gz BITJKRPOYMBFQN-UHFFFAOYSA-N 0 0 362.458 4.627 50 30 FJEARN CC[C@@H]1CCc2c(C#N)c(NC(=O)COc3ccc(Cl)cc3)sc2C1 ZINC000000670645 219311674 /nfs/dbraw/zinc/31/16/74/219311674.db2.gz WLKJFUMPXRVZHJ-GFCCVEGCSA-N 0 0 374.893 4.806 50 30 FJEARN Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccccc3C#N)cc12 ZINC000000686981 219313736 /nfs/dbraw/zinc/31/37/36/219313736.db2.gz SIKGOTMCYLLDII-UHFFFAOYSA-N 0 0 358.426 4.519 50 30 FJEARN O=C1CCCC2=C1c1ccc3ccccc3c1N[C@@H]2c1ccc(O)c(O)c1 ZINC000000689174 219314670 /nfs/dbraw/zinc/31/46/70/219314670.db2.gz VJKCMOAIJJGTOD-JOCHJYFZSA-N 0 0 357.409 4.924 50 30 FJEARN CN(C)c1ccc([C@H]2Nc3ccc4ncccc4c3C3=C2C(=O)CCC3)cc1 ZINC000000709482 219315249 /nfs/dbraw/zinc/31/52/49/219315249.db2.gz BVVGOZXCCSHYKV-XMMPIXPASA-N 0 0 369.468 4.974 50 30 FJEARN Cc1ccc(Oc2cc(C#N)c(C#N)cc2-n2nnc3ccccc32)cc1C ZINC000000717336 219316103 /nfs/dbraw/zinc/31/61/03/219316103.db2.gz LTVSRSIRECRYDN-UHFFFAOYSA-N 0 0 365.396 4.573 50 30 FJEARN Cc1c(/N=C/c2ccc(Cl)cc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000000787734 219321659 /nfs/dbraw/zinc/32/16/59/219321659.db2.gz GNVXXDVXLLRZHG-SRZZPIQSSA-N 0 0 360.244 4.542 50 30 FJEARN Cc1ccc2cc(C#N)c(SCC(=O)Nc3ccccc3Cl)nc2c1 ZINC000000786963 219321979 /nfs/dbraw/zinc/32/19/79/219321979.db2.gz DYFHNEOJIGOWQL-UHFFFAOYSA-N 0 0 367.861 4.799 50 30 FJEARN Cc1sc(NC(=O)c2cc(Br)ccc2Cl)c(C#N)c1C ZINC000001055660 219360828 /nfs/dbraw/zinc/36/08/28/219360828.db2.gz JHLPHZUEPBOEIO-UHFFFAOYSA-N 0 0 369.671 4.905 50 30 FJEARN CC(=O)Oc1ccc(/C=C2\N=C(SCc3ccccc3)SC2=O)cc1 ZINC000001136396 219378475 /nfs/dbraw/zinc/37/84/75/219378475.db2.gz PNLDZXCYDPTXCQ-BOPFTXTBSA-N 0 0 369.467 4.516 50 30 FJEARN COc1ccc(NC=CC(=O)c2ccc(Cl)cc2Cl)c(OC)c1 ZINC000001144663 219380049 /nfs/dbraw/zinc/38/00/49/219380049.db2.gz UAJVWVSXTZJMIT-BQYQJAHWSA-N 0 0 352.217 4.819 50 30 FJEARN N#Cc1cc(Oc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])cc1C#N ZINC000001143378 219380498 /nfs/dbraw/zinc/38/04/98/219380498.db2.gz OIUCTEMAPFOJHD-UHFFFAOYSA-N 0 0 371.352 4.709 50 30 FJEARN C=CCN1C(=O)/C(=C/c2cccc(OCc3ccccc3)c2)SC1=S ZINC000001202973 219388329 /nfs/dbraw/zinc/38/83/29/219388329.db2.gz VTNCRPCMMMESTB-AQTBWJFISA-N 0 0 367.495 4.653 50 30 FJEARN CSc1ccc(-c2ncnn2-c2sc3c(c2C#N)CCCCC3)cc1 ZINC000001205424 219388593 /nfs/dbraw/zinc/38/85/93/219388593.db2.gz NHJBUPXBQRKNOD-UHFFFAOYSA-N 0 0 366.515 4.858 50 30 FJEARN Cc1ccc(S(=O)(=O)N/N=C/c2c3ccccc3cc3ccccc32)cc1 ZINC000001232363 219390994 /nfs/dbraw/zinc/39/09/94/219390994.db2.gz GRTHRNWYJRZGOB-HZHRSRAPSA-N 0 0 374.465 4.614 50 30 FJEARN Cc1ccc(NC(=O)CSc2nc(C)c(Cl)c(C)c2C#N)cc1C ZINC000001429266 219405126 /nfs/dbraw/zinc/40/51/26/219405126.db2.gz YUOVFUKRICSTIM-UHFFFAOYSA-N 0 0 359.882 4.571 50 30 FJEARN C=CCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 ZINC000002295108 219436100 /nfs/dbraw/zinc/43/61/00/219436100.db2.gz KDBRKCFUPNUPRR-UHFFFAOYSA-N 0 0 368.506 4.812 50 30 FJEARN COc1ccccc1-c1cc(-c2ccccc2)nc(SCC#N)c1C#N ZINC000002275685 219434921 /nfs/dbraw/zinc/43/49/21/219434921.db2.gz NCAIILLSZTUHSE-UHFFFAOYSA-N 0 0 357.438 4.912 50 30 FJEARN N#Cc1cnn2c1N[C@@H](c1ccc(Cl)c(Cl)c1)C[C@H]2C(F)(F)F ZINC000002766702 219463553 /nfs/dbraw/zinc/46/35/53/219463553.db2.gz PIMDOMOARPJKEZ-NEPJUHHUSA-N 0 0 361.154 4.722 50 30 FJEARN C=CCSc1nnc2c(n1)O[C@H](/C=C/c1ccccc1)Nc1ccccc1-2 ZINC000002882674 219473426 /nfs/dbraw/zinc/47/34/26/219473426.db2.gz AOGXTVJHVPHMIC-QFQMRYFISA-N 0 0 374.469 4.661 50 30 FJEARN COc1cc(C#N)cc(Br)c1OCc1cccc(Cl)c1 ZINC000002876251 219473564 /nfs/dbraw/zinc/47/35/64/219473564.db2.gz OJXMOPQBMGTLCW-UHFFFAOYSA-N 0 0 352.615 4.562 50 30 FJEARN N#Cc1ccc(CSc2ccccc2C(=O)NCc2ccccc2)cc1 ZINC000003503697 219515915 /nfs/dbraw/zinc/51/59/15/219515915.db2.gz BCVNOVKYUIYIFQ-UHFFFAOYSA-N 0 0 358.466 4.781 50 30 FJEARN C=CCn1c2ccccc2nc1[C@@H]1CC(=O)N(c2cccc(Cl)c2C)C1 ZINC000004033259 219535513 /nfs/dbraw/zinc/53/55/13/219535513.db2.gz VPMIHRUVIHVRRZ-OAHLLOKOSA-N 0 0 365.864 4.705 50 30 FJEARN COc1ccccc1-c1ncnn1-c1sc2c(c1C#N)CCCCCC2 ZINC000004132411 219547885 /nfs/dbraw/zinc/54/78/85/219547885.db2.gz 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