smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)C=Cc1ccccc1C#N ZINC000030032211 727899631 /nfs/dbraw/zinc/89/96/31/727899631.db2.gz JGNDTTINGVWIIY-VOTSOKGWSA-N 0 2 350.403 2.528 20 30 FFEDLN C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1F)[N@@H+]1CCc2ccccc2C1 ZINC000089964496 728447637 /nfs/dbraw/zinc/44/76/37/728447637.db2.gz OMQTUASIFAPDOH-CYBMUJFWSA-N 0 2 362.426 2.918 20 30 FFEDLN C[C@H](C(=O)[N-]S(=O)(=O)c1ccccc1F)[N@H+]1CCc2ccccc2C1 ZINC000089964496 728447638 /nfs/dbraw/zinc/44/76/38/728447638.db2.gz OMQTUASIFAPDOH-CYBMUJFWSA-N 0 2 362.426 2.918 20 30 FFEDLN N#CC(C(=O)CCOC[C@H]1CCCO1)c1nc(-c2ccncc2)cs1 ZINC000114619137 728561872 /nfs/dbraw/zinc/56/18/72/728561872.db2.gz GLJJYZWZLQDOKA-CABCVRRESA-N 0 2 357.435 2.967 20 30 FFEDLN N#C[C@@H](C(=O)CCOC[C@H]1CCCO1)c1nc(-c2ccncc2)cs1 ZINC000114619137 728561875 /nfs/dbraw/zinc/56/18/75/728561875.db2.gz GLJJYZWZLQDOKA-CABCVRRESA-N 0 2 357.435 2.967 20 30 FFEDLN N#CC(C(=O)[C@H]1CC1(Cl)Cl)c1nc(N)nc(Nc2ccccc2)n1 ZINC000126127256 728693761 /nfs/dbraw/zinc/69/37/61/728693761.db2.gz JHDQPTMRPPRWMC-VHSXEESVSA-N 0 2 363.208 2.567 20 30 FFEDLN O=C(C[C@H]1S/C(=N/c2cccc(Cl)c2)NC1=O)NCC(F)(F)F ZINC000195216492 729532956 /nfs/dbraw/zinc/53/29/56/729532956.db2.gz GRVPBMDQONCGDV-SECBINFHSA-N 0 2 365.764 2.628 20 30 FFEDLN C=CCCONC(=O)CSc1nc2ccccc2nc1N1CCCC1 ZINC000856032140 730300000 /nfs/dbraw/zinc/30/00/00/730300000.db2.gz IEWQDAWDNRBSJB-UHFFFAOYSA-N 0 2 358.467 2.946 20 30 FFEDLN C[C@@H]1CCC[C@@](C#N)(NC(=O)c2ccc(CNC(=O)C(F)(F)F)o2)C1 ZINC000859438695 730454845 /nfs/dbraw/zinc/45/48/45/730454845.db2.gz RZIXQKMHPYYZMT-MEBBXXQBSA-N 0 2 357.332 2.660 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCC(C)(C)OC)C1=O ZINC000865294724 730936190 /nfs/dbraw/zinc/93/61/90/730936190.db2.gz SADUEOLDSXCINV-GFCCVEGCSA-N 0 2 369.512 2.631 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccsc2)N(Cc2ccc(C)o2)C1=O ZINC000865293882 730936244 /nfs/dbraw/zinc/93/62/44/730936244.db2.gz AKACTZAUBBHHIE-ZDUSSCGKSA-N 0 2 363.464 2.917 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(Cc2ccc(C)o2)C1=O ZINC000865293882 730936247 /nfs/dbraw/zinc/93/62/47/730936247.db2.gz AKACTZAUBBHHIE-ZDUSSCGKSA-N 0 2 363.464 2.917 20 30 FFEDLN CO[C@@H](C(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1cc(C(F)(F)F)ccn1 ZINC000870380114 731506907 /nfs/dbraw/zinc/50/69/07/731506907.db2.gz SEHISONPZKAHAM-GXFFZTMASA-N 0 2 358.316 2.633 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N([C@@H]2CC23CCC3)C1=O ZINC000871603878 731649495 /nfs/dbraw/zinc/64/94/95/731649495.db2.gz KYBGPRZEPAIQHH-UONOGXRCSA-N 0 2 361.442 2.836 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N([C@@H]2CC23CCC3)C1=O ZINC000871603878 731649499 /nfs/dbraw/zinc/64/94/99/731649499.db2.gz KYBGPRZEPAIQHH-UONOGXRCSA-N 0 2 361.442 2.836 20 30 FFEDLN N#Cc1cccc([C@@H](NCCCNC(=O)C(F)(F)F)C(F)(F)F)c1 ZINC000879783734 732767155 /nfs/dbraw/zinc/76/71/55/732767155.db2.gz RZXMWFIJSOMJNI-LLVKDONJSA-N 0 2 353.266 2.820 20 30 FFEDLN CC(C)Cc1nnc(NS(=O)(=O)c2ccc(CCC#N)cc2)s1 ZINC000886397626 733782309 /nfs/dbraw/zinc/78/23/09/733782309.db2.gz REPXMGNIWYZKRD-UHFFFAOYSA-N 0 2 350.469 2.994 20 30 FFEDLN O=[N+]([O-])c1ccc(C=NNc2ccc(S(=O)(=O)C(F)F)cc2)cc1O ZINC000726424906 734423480 /nfs/dbraw/zinc/42/34/80/734423480.db2.gz PCXDBPVBGISEME-UHFFFAOYSA-N 0 2 371.321 2.743 20 30 FFEDLN C#CCOc1cccc(NS(=O)(=O)c2ccc(NC(C)=O)cc2F)c1 ZINC000730996575 734661391 /nfs/dbraw/zinc/66/13/91/734661391.db2.gz SHYNFGQPXQKROC-UHFFFAOYSA-N 0 2 362.382 2.597 20 30 FFEDLN C#CCOc1cccc(NS(=O)(=O)c2cc(OC)c(OC)cc2F)c1 ZINC000730995846 734661427 /nfs/dbraw/zinc/66/14/27/734661427.db2.gz KVRRDNNSEPEJKN-UHFFFAOYSA-N 0 2 365.382 2.656 20 30 FFEDLN C=CCOCCCCOC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000893470762 734705408 /nfs/dbraw/zinc/70/54/08/734705408.db2.gz XJKIPBFIHWFWOT-UHFFFAOYSA-N 0 2 362.451 2.845 20 30 FFEDLN CCCC(=O)COC(=O)CSc1[nH]c(=O)cc(C(F)(F)F)c1C#N ZINC000738578245 735035341 /nfs/dbraw/zinc/03/53/41/735035341.db2.gz OVMQVEKZPOOGRH-UHFFFAOYSA-N 0 2 362.329 2.682 20 30 FFEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc(-c2cnn(C)c2)cs1 ZINC000743049509 735274736 /nfs/dbraw/zinc/27/47/36/735274736.db2.gz HUVDDOXWARQCNY-UHFFFAOYSA-N 0 2 359.436 2.525 20 30 FFEDLN N#Cc1ccc(NS(=O)(=O)c2cnc3n2CCCC3)cc1C(F)(F)F ZINC000901895563 735862782 /nfs/dbraw/zinc/86/27/82/735862782.db2.gz PVLGQLNPOIIIDH-UHFFFAOYSA-N 0 2 370.356 2.911 20 30 FFEDLN C=CCn1cc2ccc(NS(=O)(=O)c3cnn(CC4CC4)c3)cc2n1 ZINC000901967570 735882043 /nfs/dbraw/zinc/88/20/43/735882043.db2.gz SZVBLSCAOUPTMW-UHFFFAOYSA-N 0 2 357.439 2.630 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccccc2OC)N(C/C=C\Cl)C1=O ZINC000906539266 736515421 /nfs/dbraw/zinc/51/54/21/736515421.db2.gz FKJXPBIJFIDOGZ-UOGQZKJDSA-N 0 2 367.858 2.515 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(C/C=C\Cl)C1=O ZINC000906539266 736515424 /nfs/dbraw/zinc/51/54/24/736515424.db2.gz FKJXPBIJFIDOGZ-UOGQZKJDSA-N 0 2 367.858 2.515 20 30 FFEDLN O=C(CC1SC(=Nc2cccc(F)c2)N(CCCF)C1=O)NC1CC1 ZINC000906551794 736517067 /nfs/dbraw/zinc/51/70/67/736517067.db2.gz SYBZNVODIOPVCO-CQSZACIVSA-N 0 2 367.421 2.786 20 30 FFEDLN O=C(C[C@H]1SC(=Nc2cccc(F)c2)N(CCCF)C1=O)NC1CC1 ZINC000906551794 736517071 /nfs/dbraw/zinc/51/70/71/736517071.db2.gz SYBZNVODIOPVCO-CQSZACIVSA-N 0 2 367.421 2.786 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N(CCc2ccco2)C1=O ZINC000763455063 736938670 /nfs/dbraw/zinc/93/86/70/736938670.db2.gz NAXPQQUYWBPMFT-HNNXBMFYSA-N 0 2 357.435 2.590 20 30 FFEDLN C[C@H](CONC(=O)CSc1ccc(C#N)cc1)NC(=O)OC(C)(C)C ZINC000767179247 737299511 /nfs/dbraw/zinc/29/95/11/737299511.db2.gz RZUBYSSAADMOAP-GFCCVEGCSA-N 0 2 365.455 2.611 20 30 FFEDLN N#Cc1ccccc1Sc1ccc(C(=O)OCc2n[nH]c(=O)[nH]2)cc1 ZINC000774963364 738044969 /nfs/dbraw/zinc/04/49/69/738044969.db2.gz QBSUKIDBADAXGY-UHFFFAOYSA-N 0 2 352.375 2.890 20 30 FFEDLN C#CCOc1ccccc1NS(=O)(=O)c1ccc(C)cc1C(=O)OC ZINC000775298245 738081869 /nfs/dbraw/zinc/08/18/69/738081869.db2.gz MGWMKDJLTSUCFR-UHFFFAOYSA-N 0 2 359.403 2.594 20 30 FFEDLN CCOc1cccc(N=C2SC(CC(=O)NC)C(=O)N2[C@@H]2C[C@H]2C)c1 ZINC000790025701 739408579 /nfs/dbraw/zinc/40/85/79/739408579.db2.gz DUUSIUOGDPBDSW-KCPJHIHWSA-N 0 2 361.467 2.561 20 30 FFEDLN CCOc1cccc(N=C2S[C@H](CC(=O)NC)C(=O)N2[C@@H]2C[C@H]2C)c1 ZINC000790025701 739408584 /nfs/dbraw/zinc/40/85/84/739408584.db2.gz DUUSIUOGDPBDSW-KCPJHIHWSA-N 0 2 361.467 2.561 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccsc2)N([C@@H](C)c2ccccn2)C1=O ZINC000790759608 739491554 /nfs/dbraw/zinc/49/15/54/739491554.db2.gz SKNHZAAFPYHCAW-SMDDNHRTSA-N 0 2 374.491 2.972 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2ccsc2)N([C@@H](C)c2ccccn2)C1=O ZINC000790759608 739491558 /nfs/dbraw/zinc/49/15/58/739491558.db2.gz SKNHZAAFPYHCAW-SMDDNHRTSA-N 0 2 374.491 2.972 20 30 FFEDLN CS(=O)(=O)c1cc(C(=O)C(C#N)c2nc3ccccc3[nH]2)ccc1F ZINC000793119044 739741125 /nfs/dbraw/zinc/74/11/25/739741125.db2.gz XVRYOMMEJFRTHW-LLVKDONJSA-N 0 2 357.366 2.596 20 30 FFEDLN CS(=O)(=O)c1cc(C(=O)[C@@H](C#N)c2nc3ccccc3[nH]2)ccc1F ZINC000793119044 739741127 /nfs/dbraw/zinc/74/11/27/739741127.db2.gz XVRYOMMEJFRTHW-LLVKDONJSA-N 0 2 357.366 2.596 20 30 FFEDLN CS(=O)(=O)c1cc(C(O)=C(C#N)c2nc3ccccc3[nH]2)ccc1F ZINC000793119044 739741130 /nfs/dbraw/zinc/74/11/30/739741130.db2.gz XVRYOMMEJFRTHW-LLVKDONJSA-N 0 2 357.366 2.596 20 30 FFEDLN CC(=O)c1ccc2nc(NS(=O)(=O)c3cnc(C)c(C#N)c3)sc2c1 ZINC000794032475 739843795 /nfs/dbraw/zinc/84/37/95/739843795.db2.gz IJIZAGWUBAKAJJ-UHFFFAOYSA-N 0 2 372.431 2.875 20 30 FFEDLN N#CCCCOC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O ZINC000801385547 740615234 /nfs/dbraw/zinc/61/52/34/740615234.db2.gz RGFPXLGSVYZCKW-UHFFFAOYSA-N 0 2 350.718 2.600 20 30 FFEDLN C=CCn1c(=O)c2ccc(C(=O)N(CC(C)(C)C)OC)cc2[nH]c1=S ZINC000804582612 740886531 /nfs/dbraw/zinc/88/65/31/740886531.db2.gz BGGPZKXIXAUZDS-UHFFFAOYSA-N 0 2 361.467 2.921 20 30 FFEDLN O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)C(F)C(F)(F)F ZINC000810624968 741433701 /nfs/dbraw/zinc/43/37/01/741433701.db2.gz QQQWLZWFKHMGQJ-KOLCDFICSA-N 0 2 361.257 2.873 20 30 FFEDLN O=C(NC[C@H](CO)Cc1ccc(C(F)(F)F)cc1)[C@H](F)C(F)(F)F ZINC000810624968 741433702 /nfs/dbraw/zinc/43/37/02/741433702.db2.gz QQQWLZWFKHMGQJ-KOLCDFICSA-N 0 2 361.257 2.873 20 30 FFEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2F)N(CCCCF)C1=O ZINC000812221565 741597408 /nfs/dbraw/zinc/59/74/08/741597408.db2.gz MMAGALVWWKOXHK-AWEZNQCLSA-N 0 2 369.437 2.951 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2cc(C)ccc2F)N(CCCCF)C1=O ZINC000812221565 741597411 /nfs/dbraw/zinc/59/74/11/741597411.db2.gz MMAGALVWWKOXHK-AWEZNQCLSA-N 0 2 369.437 2.951 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(CC[C@@H](C)F)C1=O ZINC000814704621 741858280 /nfs/dbraw/zinc/85/82/80/741858280.db2.gz PFVXWVRAOBJTSH-MFKMUULPSA-N 0 2 355.410 2.641 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2F)N(CC[C@@H](C)F)C1=O ZINC000814704621 741858286 /nfs/dbraw/zinc/85/82/86/741858286.db2.gz PFVXWVRAOBJTSH-MFKMUULPSA-N 0 2 355.410 2.641 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC[C@@H](C)F)C1=O ZINC000814702982 741858439 /nfs/dbraw/zinc/85/84/39/741858439.db2.gz CRBRZYLBEKAVEI-MFKMUULPSA-N 0 2 355.410 2.641 20 30 FFEDLN C[C@@H]1SCCC1N=Nc1ccc(S(=O)(=O)Nc2nncs2)cc1 ZINC000814866028 741870876 /nfs/dbraw/zinc/87/08/76/741870876.db2.gz HBIWFDGCAIUKAN-VIFPVBQESA-N 0 2 369.497 2.632 20 30 FFEDLN O=C(CC1SC(=Nc2ccccc2)N([C@H]2CC23CC3)C1=O)NC1CC1 ZINC000819830910 742435600 /nfs/dbraw/zinc/43/56/00/742435600.db2.gz GJWICIWUXMXLID-GJZGRUSLSA-N 0 2 355.463 2.839 20 30 FFEDLN O=C(C[C@@H]1SC(=Nc2ccccc2)N([C@H]2CC23CC3)C1=O)NC1CC1 ZINC000819830910 742435602 /nfs/dbraw/zinc/43/56/02/742435602.db2.gz GJWICIWUXMXLID-GJZGRUSLSA-N 0 2 355.463 2.839 20 30 FFEDLN CC[C@H](C)[C@H](C=[NH+]n1c(SCC(=O)[O-])nnc1-c1ccoc1C)OC ZINC000834936253 745925674 /nfs/dbraw/zinc/92/56/74/745925674.db2.gz UIOUKHYRSQYNGH-GWCFXTLKSA-N 0 2 366.443 2.918 20 30 FFEDLN C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3C[C@H]3C3CC3)cc2[nH]c1=S ZINC000837113719 746368796 /nfs/dbraw/zinc/36/87/96/746368796.db2.gz AONKJHWRRRTUGV-ZFWWWQNUSA-N 0 2 355.463 2.647 20 30 FFEDLN C#Cc1cccc(N=C2SC(CC(=O)NC)C(=O)N2[C@@H](C)C2CC2)c1 ZINC000839224597 746803657 /nfs/dbraw/zinc/80/36/57/746803657.db2.gz RPLNJHYONNYHHL-LRDDRELGSA-N 0 2 355.463 2.534 20 30 FFEDLN C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H](C)C2CC2)c1 ZINC000839224597 746803664 /nfs/dbraw/zinc/80/36/64/746803664.db2.gz RPLNJHYONNYHHL-LRDDRELGSA-N 0 2 355.463 2.534 20 30 FFEDLN CO[C@H](CS(=O)(=O)Nc1ccccc1O[C@@H](C)C#N)C1CCCC1 ZINC000849307623 749096393 /nfs/dbraw/zinc/09/63/93/749096393.db2.gz AKWFHMALQPZCMK-SUMWQHHRSA-N 0 2 352.456 2.924 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2ccsc2)N(CCc2ccoc2)C1=O ZINC000853253050 750038769 /nfs/dbraw/zinc/03/87/69/750038769.db2.gz VRNCTYVOIVWVFX-CYBMUJFWSA-N 0 2 363.464 2.651 20 30 FFEDLN C=C(C)Cn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000825647089 1013351665 /nfs/dbraw/zinc/35/16/65/1013351665.db2.gz DQVJHYIEPGJRCX-OAHLLOKOSA-N 0 2 373.482 2.949 20 30 FFEDLN C=C(C)Cn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000825647089 1013351679 /nfs/dbraw/zinc/35/16/79/1013351679.db2.gz DQVJHYIEPGJRCX-OAHLLOKOSA-N 0 2 373.482 2.949 20 30 FFEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2nccc(C)c2C2CC2)c1 ZINC000656739013 964076544 /nfs/dbraw/zinc/07/65/44/964076544.db2.gz QPMLMJNLLSNCBF-UHFFFAOYSA-N 0 2 371.462 2.984 20 30 FFEDLN COc1ccc(C(=O)CCCCC(=O)C(C#N)=C([O-])c2[nH+]ccn2C)cc1 ZINC000760245551 980516710 /nfs/dbraw/zinc/51/67/10/980516710.db2.gz ZDQHMHAUJMZYAI-MRXNPFEDSA-N 0 2 367.405 2.764 20 30 FFEDLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)NCc1ccc(C#N)cc1 ZINC001595361361 980761142 /nfs/dbraw/zinc/76/11/42/980761142.db2.gz WUGVKNKJSIJCDZ-IBGZPJMESA-N 0 2 365.433 2.712 20 30 FFEDLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)NCc1ccc(C#N)cc1 ZINC001595361361 980761144 /nfs/dbraw/zinc/76/11/44/980761144.db2.gz WUGVKNKJSIJCDZ-IBGZPJMESA-N 0 2 365.433 2.712 20 30 FFEDLN N#CC(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccncn1 ZINC000760346517 982365819 /nfs/dbraw/zinc/36/58/19/982365819.db2.gz RAYKXVDMHKKQJH-MRXNPFEDSA-N 0 2 354.369 2.821 20 30 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COc1cc(NS(=O)(=O)c2ccccc2C#N)cc(Br)n1 ZINC001258214374 1039271707 /nfs/dbraw/zinc/27/17/07/1039271707.db2.gz BRMZYHPRZOMFDI-UHFFFAOYSA-N 0 2 368.212 2.525 20 30 FFEDLN COC(=O)c1cc(C#N)ccc1NS(=O)(=O)c1ccc(F)cc1Cl ZINC001258916289 1039583060 /nfs/dbraw/zinc/58/30/60/1039583060.db2.gz CBODPBFCQPNRLC-UHFFFAOYSA-N 0 2 368.773 2.938 20 30 FFEDLN Cc1cnn(-c2ccc(F)cc2)c1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259118468 1039727611 /nfs/dbraw/zinc/72/76/11/1039727611.db2.gz IBDJMDLHFUULQQ-UHFFFAOYSA-N 0 2 356.382 2.992 20 30 FFEDLN Cc1cnn(-c2cccc(F)c2)c1NS(=O)(=O)c1cccc(C#N)c1 ZINC001259118886 1039728986 /nfs/dbraw/zinc/72/89/86/1039728986.db2.gz VKSIVNKEVOPKIK-UHFFFAOYSA-N 0 2 356.382 2.992 20 30 FFEDLN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(F)c(C#N)c1 ZINC001259411871 1039983753 /nfs/dbraw/zinc/98/37/53/1039983753.db2.gz JGKRNBNDQDJPEH-UHFFFAOYSA-N 0 2 368.411 2.963 20 30 FFEDLN N#Cc1cc(S(=O)(=O)Nc2cc(OC(F)(F)F)ccn2)ccc1F ZINC001259413323 1039985903 /nfs/dbraw/zinc/98/59/03/1039985903.db2.gz CLVWWHMFUGMVMX-UHFFFAOYSA-N 0 2 361.276 2.792 20 30 FFEDLN C[C@@H](C#N)c1ccc(NS(=O)(=O)c2ccccc2S(C)(=O)=O)cc1 ZINC001260520835 1040632337 /nfs/dbraw/zinc/63/23/37/1040632337.db2.gz JINDJTIJBJQZNX-LBPRGKRZSA-N 0 2 364.448 2.518 20 30 FFEDLN C=C(C)Cn1c(-c2c[nH]n(CC)c2=O)nnc1N(C)Cc1cscn1 ZINC001263344799 1042251945 /nfs/dbraw/zinc/25/19/45/1042251945.db2.gz QQDROXOACYUVPU-UHFFFAOYSA-N 0 2 359.459 2.536 20 30 FFEDLN Cc1cccc2[nH+]c(C([O-])=C(C#N)C(=O)NCc3ccc(F)c(F)c3)cn21 ZINC001263471636 1042331139 /nfs/dbraw/zinc/33/11/39/1042331139.db2.gz IUVBKVDSBFRCAG-ZDUSSCGKSA-N 0 2 368.343 2.560 20 30 FFEDLN C#CCCCCCC(=O)N[C@H]1CCN(C(=O)C(F)C(F)(F)F)[C@@H]1CC ZINC001282273464 1045468053 /nfs/dbraw/zinc/46/80/53/1045468053.db2.gz WSSOHXSZYPDONM-GZBFAFLISA-N 0 2 364.383 2.966 20 30 FFEDLN C#CCCCCCC(=O)N[C@H]1CCN(C(=O)[C@@H](F)C(F)(F)F)[C@@H]1CC ZINC001282273464 1045468056 /nfs/dbraw/zinc/46/80/56/1045468056.db2.gz WSSOHXSZYPDONM-GZBFAFLISA-N 0 2 364.383 2.966 20 30 FFEDLN 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ZINC001343138888 1051761082 /nfs/dbraw/zinc/76/10/82/1051761082.db2.gz SWAMSLZEVNBUCL-GFCCVEGCSA-N 0 2 365.869 2.688 20 30 FFEDLN N#CC(C(=O)CCCNC(=O)NC1CCCCC1)c1ncc(F)cc1F ZINC001346763083 1053290548 /nfs/dbraw/zinc/29/05/48/1053290548.db2.gz HYDCKOFLBFFUJX-AWEZNQCLSA-N 0 2 364.396 2.948 20 30 FFEDLN CCCCS(=O)(=O)c1ccc(C(=O)[C@H](C#N)c2nccn2CC)cc1 ZINC001347337837 1053861524 /nfs/dbraw/zinc/86/15/24/1053861524.db2.gz MPZHAPBSFPDLNO-INIZCTEOSA-N 0 2 359.451 2.967 20 30 FFEDLN CCCCS(=O)(=O)c1ccc(C(=O)C(C#N)c2nccn2CC)cc1 ZINC001347337837 1053861537 /nfs/dbraw/zinc/86/15/37/1053861537.db2.gz MPZHAPBSFPDLNO-INIZCTEOSA-N 0 2 359.451 2.967 20 30 FFEDLN N#CCN(C(=O)c1ccc(CNC(=O)C(F)(F)F)o1)c1ccccc1 ZINC001352018195 1055126029 /nfs/dbraw/zinc/12/60/29/1055126029.db2.gz TUNYMSHMVMBHDB-UHFFFAOYSA-N 0 2 351.284 2.628 20 30 FFEDLN COc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC001356042911 1055242141 /nfs/dbraw/zinc/24/21/41/1055242141.db2.gz SQLUSITXWPPIDD-NHYWBVRUSA-N 0 2 371.418 2.964 20 30 FFEDLN C#CCOc1ccc(F)cc1NC(=O)c1ncc(Br)cc1O ZINC001545088550 1071731452 /nfs/dbraw/zinc/73/14/52/1071731452.db2.gz LQPAMAMYEBYATF-UHFFFAOYSA-N 0 2 365.158 2.953 20 30 FFEDLN C=C(C)Cn1c(-c2n[nH]c(Cl)n2)nnc1N1CCc2cc(O)ccc2C1 ZINC001515031193 1059240061 /nfs/dbraw/zinc/24/00/61/1059240061.db2.gz IILRMAUESVKGFP-UHFFFAOYSA-N 0 2 371.832 2.561 20 30 FFEDLN C=CCn1c([C@H]2C[C@H]2C)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC001520338604 1059622905 /nfs/dbraw/zinc/62/29/05/1059622905.db2.gz YXKGAVPLNKNCOC-MNOVXSKESA-N 0 2 356.455 2.934 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)cc1C#N ZINC001532232571 1063005728 /nfs/dbraw/zinc/00/57/28/1063005728.db2.gz LKIIRUROWCBZJV-UHFFFAOYSA-N 0 2 366.305 2.819 20 30 FFEDLN COc1ccc(N2CC(=O)C(C(=O)NCc3ccc(C#N)c(F)c3)=N2)cc1 ZINC001469015231 1064075854 /nfs/dbraw/zinc/07/58/54/1064075854.db2.gz DWXGZAKWCPPLMK-UHFFFAOYSA-N 0 2 366.352 2.527 20 30 FFEDLN Cc1nc(-c2ccccc2)sc1[C@H](C)Nc1[nH]c(=O)n(C)c(=O)c1C#N ZINC001472668074 1065124706 /nfs/dbraw/zinc/12/47/06/1065124706.db2.gz HYMMYLNQRZNKPZ-JTQLQIEISA-N 0 2 367.434 2.550 20 30 FFEDLN COC(=O)C(C)(C)c1ccc(NC(=O)c2[nH]c(=O)c(C#N)cc2C)cc1 ZINC001566145330 1076924767 /nfs/dbraw/zinc/92/47/67/1076924767.db2.gz OZMACZOOCPJWRS-UHFFFAOYSA-N 0 2 353.378 2.670 20 30 FFEDLN C=CCC[C@H](NC(=O)c1cc(Br)c(F)cc1O)C(=O)OCC ZINC001569186807 1077133841 /nfs/dbraw/zinc/13/38/41/1077133841.db2.gz KLGNUFXOAWOEBY-LBPRGKRZSA-N 0 2 374.206 2.922 20 30 FFEDLN N#Cc1ccc(S(=O)(=O)Nc2nc3cc(F)c(F)cc3s2)cn1 ZINC000409633169 512113109 /nfs/dbraw/zinc/11/31/09/512113109.db2.gz WDHBFUHPMFUZDG-UHFFFAOYSA-N 0 2 352.347 2.642 20 30 FFEDLN CC[C@H](C#N)S(=O)(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 ZINC000416948151 514061637 /nfs/dbraw/zinc/06/16/37/514061637.db2.gz YUUZMBTXTLHORT-GFCCVEGCSA-N 0 2 357.863 2.770 20 30 FFEDLN CCC/N=C1\NC(=O)C(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000003539556 204106208 /nfs/dbraw/zinc/10/62/08/204106208.db2.gz OOCMVJVSBBXVGB-LLVKDONJSA-N 0 2 370.818 2.574 20 30 FFEDLN CCC/N=C1\NC(=O)[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S1 ZINC000003539556 204106212 /nfs/dbraw/zinc/10/62/12/204106212.db2.gz OOCMVJVSBBXVGB-LLVKDONJSA-N 0 2 370.818 2.574 20 30 FFEDLN CC(C)c1nnc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000163230175 251178784 /nfs/dbraw/zinc/17/87/84/251178784.db2.gz HCTASSWAECIIMH-UHFFFAOYSA-N 0 2 360.317 2.884 20 30 FFEDLN N#Cc1cccc(NC(=O)C2CCN(C(=O)[C@H](F)C(F)(F)F)CC2)c1 ZINC000289972948 257309482 /nfs/dbraw/zinc/30/94/82/257309482.db2.gz XPTOVXLSWMUUKU-ZDUSSCGKSA-N 0 2 357.307 2.636 20 30 FFEDLN N#Cc1cccc(NC(=O)C2CCN(C(=O)C(F)C(F)(F)F)CC2)c1 ZINC000289972948 257309483 /nfs/dbraw/zinc/30/94/83/257309483.db2.gz XPTOVXLSWMUUKU-ZDUSSCGKSA-N 0 2 357.307 2.636 20 30 FFEDLN CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000290548922 257340788 /nfs/dbraw/zinc/34/07/88/257340788.db2.gz QDLNOALSLPNVEA-UHFFFAOYSA-N 0 2 356.451 2.870 20 30 FFEDLN CCCCN1Cc2cccc(NS(=O)(=O)c3cncc(C#N)c3)c2C1 ZINC000290548922 257340789 /nfs/dbraw/zinc/34/07/89/257340789.db2.gz QDLNOALSLPNVEA-UHFFFAOYSA-N 0 2 356.451 2.870 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)N2CCCCC[C@H]2c2noc(C)n2)cc1C#N ZINC000329528155 258141235 /nfs/dbraw/zinc/14/12/35/258141235.db2.gz IBXNQCBIIQEIHV-ZDUSSCGKSA-N 0 2 373.438 2.830 20 30 FFEDLN Cc1cc(C#N)ccc1S(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000375715703 512469139 /nfs/dbraw/zinc/46/91/39/512469139.db2.gz YUFJCPKQKFXXAT-UHFFFAOYSA-N 0 2 351.478 2.913 20 30 FFEDLN CCOC(=O)c1csc(C(C#N)C(=O)c2ccn(-c3ccccc3)n2)n1 ZINC000067897787 507045469 /nfs/dbraw/zinc/04/54/69/507045469.db2.gz WBFGQAUIUUEDNH-ZDUSSCGKSA-N 0 2 366.402 2.996 20 30 FFEDLN CCOC(=O)c1csc([C@@H](C#N)C(=O)c2ccn(-c3ccccc3)n2)n1 ZINC000067897787 507045475 /nfs/dbraw/zinc/04/54/75/507045475.db2.gz WBFGQAUIUUEDNH-ZDUSSCGKSA-N 0 2 366.402 2.996 20 30 FFEDLN COC[C@H](C)/N=C1\NC(=O)C(CC(=O)Nc2cccc3ccccc32)S1 ZINC000021131718 507245837 /nfs/dbraw/zinc/24/58/37/507245837.db2.gz NXAPFYIEGAGLNS-BLLLJJGKSA-N 0 2 371.462 2.791 20 30 FFEDLN COC[C@H](C)/N=C1\NC(=O)[C@@H](CC(=O)Nc2cccc3ccccc32)S1 ZINC000021131718 507245846 /nfs/dbraw/zinc/24/58/46/507245846.db2.gz NXAPFYIEGAGLNS-BLLLJJGKSA-N 0 2 371.462 2.791 20 30 FFEDLN N#CC(C(=O)c1cc2c([nH]c1=O)CCCC2=O)c1nc2ccccc2s1 ZINC000048823592 507569185 /nfs/dbraw/zinc/56/91/85/507569185.db2.gz WDJYAFYQJUGXBZ-LBPRGKRZSA-N 0 2 363.398 2.994 20 30 FFEDLN N#CC(C(=O)c1ccc(Cl)o1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000069934613 507587942 /nfs/dbraw/zinc/58/79/42/507587942.db2.gz KWRPEMDGOKIWBI-JTQLQIEISA-N 0 2 354.757 2.934 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)N2CCN(c3ccccc3C)CC2)cc1C#N ZINC000027605067 507671760 /nfs/dbraw/zinc/67/17/60/507671760.db2.gz UWUYATRBACFODW-UHFFFAOYSA-N 0 2 368.462 2.652 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)NCCCc2nc3ccccc3[nH]2)cc1C#N ZINC000031895938 507822317 /nfs/dbraw/zinc/82/23/17/507822317.db2.gz LTZMVIPMVJFPDZ-UHFFFAOYSA-N 0 2 367.434 2.620 20 30 FFEDLN CNC(=O)C[C@@H]1S/C(=N/[C@@H](C)c2cccs2)N(CC(C)C)C1=O ZINC000102199794 508269571 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ZINC000151528876 509037021 /nfs/dbraw/zinc/03/70/21/509037021.db2.gz PEDQMBRJLBTVDO-HNNXBMFYSA-N 0 2 374.379 2.842 20 30 FFEDLN N#Cc1ccc(S(=O)(=O)Nc2ccccc2O[C@H]2CCOC2)c(F)c1 ZINC000161029366 509061769 /nfs/dbraw/zinc/06/17/69/509061769.db2.gz QSYVGNMHCWPMRM-ZDUSSCGKSA-N 0 2 362.382 2.666 20 30 FFEDLN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(-c2cnco2)c1 ZINC000120946430 509094436 /nfs/dbraw/zinc/09/44/36/509094436.db2.gz XSQASSIEKMMANI-UHFFFAOYSA-N 0 2 370.346 2.922 20 30 FFEDLN C[C@H](C(=O)N(CCC#N)c1ccccc1)[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000161327890 509103153 /nfs/dbraw/zinc/10/31/53/509103153.db2.gz NXEKIGZHSGLAHT-GOSISDBHSA-N 0 2 363.465 2.539 20 30 FFEDLN Cc1c(Cl)cccc1S(=O)(=O)Nc1cnn(-c2ncccc2C#N)c1 ZINC000185582303 509248219 /nfs/dbraw/zinc/24/82/19/509248219.db2.gz YYLRGIYFSXRXCD-UHFFFAOYSA-N 0 2 373.825 2.902 20 30 FFEDLN Cc1ccccc1CCc1cc(NS(=O)(=O)c2ccc(C#N)nc2)[nH]n1 ZINC000182572555 509310662 /nfs/dbraw/zinc/31/06/62/509310662.db2.gz BYZCBLIDGRZOAL-UHFFFAOYSA-N 0 2 367.434 2.571 20 30 FFEDLN CCCCCCC[C@]1(C)NC(=O)N(NC(=O)c2cc(C#N)cs2)C1=O ZINC000176264118 509409362 /nfs/dbraw/zinc/40/93/62/509409362.db2.gz MUBJGHAWXPBOIO-KRWDZBQOSA-N 0 2 362.455 2.936 20 30 FFEDLN N#CCCn1ccc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)n1 ZINC000189294266 509506244 /nfs/dbraw/zinc/50/62/44/509506244.db2.gz HSAVHQVIDZCGGY-UHFFFAOYSA-N 0 2 358.345 2.702 20 30 FFEDLN COc1cc(C=CC(=O)c2c(O)cc(C)oc2=O)c(SC)cc1OC ZINC000265885079 510282221 /nfs/dbraw/zinc/28/22/21/510282221.db2.gz WAPWJGYNONOJNV-RTRPANQVSA-N 0 2 362.403 2.654 20 30 FFEDLN C[C@H]1Oc2c(cccc2C(=O)[C@H](C#N)c2cnc3ccccc3n2)NC1=O ZINC000190978308 510445988 /nfs/dbraw/zinc/44/59/88/510445988.db2.gz GEYQDDJDCGLNIZ-DGCLKSJQSA-N 0 2 358.357 2.839 20 30 FFEDLN CC(C)Cc1nnc(NS(=O)(=O)c2ccc(C#N)c(C(F)(F)F)c2)o1 ZINC000194855147 510558347 /nfs/dbraw/zinc/55/83/47/510558347.db2.gz LZGVRKLYMVMKDS-UHFFFAOYSA-N 0 2 374.344 2.959 20 30 FFEDLN COCCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(F)ccc1F ZINC000181794550 510596447 /nfs/dbraw/zinc/59/64/47/510596447.db2.gz MDDJWLWIQXDRIF-UHFFFAOYSA-N 0 2 368.361 2.662 20 30 FFEDLN COc1ccc2c(c1)[nH]nc2NS(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000195000617 510625550 /nfs/dbraw/zinc/62/55/50/510625550.db2.gz QIAVZXVIZGGFGG-UHFFFAOYSA-N 0 2 362.798 2.897 20 30 FFEDLN N#CCCCCS(=O)(=O)c1n[nH]c(-c2ccccc2Br)n1 ZINC000195110566 510673850 /nfs/dbraw/zinc/67/38/50/510673850.db2.gz QLSVVYRUFKQIRP-UHFFFAOYSA-N 0 2 369.244 2.702 20 30 FFEDLN CC(C)(C)c1[nH]n(CC(=O)NCc2ccc(C#N)cc2)c(=O)c1CCC#N ZINC000270215088 510720346 /nfs/dbraw/zinc/72/03/46/510720346.db2.gz GKNQXZAZKKSFOR-UHFFFAOYSA-N 0 2 365.437 2.530 20 30 FFEDLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N[C@H](C#N)c1ccc(Cl)cc1 ZINC000279178005 511020494 /nfs/dbraw/zinc/02/04/94/511020494.db2.gz HPCPHWOQTRHITA-NEPJUHHUSA-N 0 2 361.751 2.724 20 30 FFEDLN CC(=O)N1Cc2ccccc2C(=O)/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1 ZINC000364871634 511126556 /nfs/dbraw/zinc/12/65/56/511126556.db2.gz KSDWVXAGUGQAFB-NVNXTCNLSA-N 0 2 352.346 2.929 20 30 FFEDLN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cccc3nc[nH]c32)C1=O ZINC000280669774 511558210 /nfs/dbraw/zinc/55/82/10/511558210.db2.gz CPUALRXKXYAPGK-LJQANCHMSA-N 0 2 371.441 2.879 20 30 FFEDLN N#Cc1ccc(OC2CCN(C(=O)c3ccc([N+](=O)[O-])cc3O)CC2)cc1 ZINC000274866083 511969869 /nfs/dbraw/zinc/96/98/69/511969869.db2.gz KUHWGXYOCZTVGU-UHFFFAOYSA-N 0 2 367.361 2.856 20 30 FFEDLN C[C@H](NC([O-])=[NH+][C@H]1CCc2[nH+]c(C(C)(C)C)cn2C1)C1=CC[N@@H+](C)CC1 ZINC000329324040 512027880 /nfs/dbraw/zinc/02/78/80/512027880.db2.gz VJRVZOQULVCLKP-HOCLYGCPSA-N 0 2 359.518 2.649 20 30 FFEDLN [O-]C(=[NH+][C@@H]1CCc2[nH]c[nH+]c2C1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000329733057 512092244 /nfs/dbraw/zinc/09/22/44/512092244.db2.gz JIJGWBROUNRXMK-WWNBULGVSA-N 0 2 366.465 2.686 20 30 FFEDLN [O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000329733057 512092248 /nfs/dbraw/zinc/09/22/48/512092248.db2.gz JIJGWBROUNRXMK-WWNBULGVSA-N 0 2 366.465 2.686 20 30 FFEDLN COc1cccc(O[C@H](C)CNC(=O)c2cc(C#N)c(SC)[nH]c2=O)c1 ZINC000440272562 513285517 /nfs/dbraw/zinc/28/55/17/513285517.db2.gz NLFDWXSNCFLUFK-LLVKDONJSA-N 0 2 373.434 2.587 20 30 FFEDLN CC[C@@H](NC(=O)c1cc(C#N)c(SC)[nH]c1=O)c1c(C)nn(C)c1C ZINC000440288006 513287159 /nfs/dbraw/zinc/28/71/59/513287159.db2.gz CNLPUQPBPIYBEI-CYBMUJFWSA-N 0 2 359.455 2.612 20 30 FFEDLN COc1cc(C)c(S(=O)(=O)Nc2ccc(C#N)c(C)n2)cc1C(C)C ZINC000451084707 513507673 /nfs/dbraw/zinc/50/76/73/513507673.db2.gz AVLVXGLAVYKQPQ-UHFFFAOYSA-N 0 2 359.451 2.925 20 30 FFEDLN COC(=O)[C@H](C)Cc1ccc(NS(=O)(=O)c2ccc(C#N)s2)cc1 ZINC000435485361 513602181 /nfs/dbraw/zinc/60/21/81/513602181.db2.gz VWMIGFMEHBDLQN-LLVKDONJSA-N 0 2 364.448 2.772 20 30 FFEDLN N#Cc1cc(F)c(S(=O)(=O)NC[C@@H]2CCCCC2(F)F)c(F)c1 ZINC000451639031 513878608 /nfs/dbraw/zinc/87/86/08/513878608.db2.gz GZSQRFKQOWUHHD-JTQLQIEISA-N 0 2 350.337 2.940 20 30 FFEDLN Cc1nc(COc2ccc(F)cc2)sc1C(=O)N=c1[nH][nH]c(C)c1C#N ZINC000431680793 513965741 /nfs/dbraw/zinc/96/57/41/513965741.db2.gz VPXPDBOFILCXIJ-UHFFFAOYSA-N 0 2 371.397 2.747 20 30 FFEDLN Cc1[nH][nH]c(=NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)c1C#N ZINC000431680298 513965829 /nfs/dbraw/zinc/96/58/29/513965829.db2.gz HGRSVHKDQXMBJJ-UHFFFAOYSA-N 0 2 359.389 2.825 20 30 FFEDLN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000437480606 514168027 /nfs/dbraw/zinc/16/80/27/514168027.db2.gz WFLNZUXUCPUYDS-SJKOYZFVSA-N 0 2 361.829 2.942 20 30 FFEDLN N#Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2O)cc1F ZINC000427275862 514169028 /nfs/dbraw/zinc/16/90/28/514169028.db2.gz QYFSXYPHLKJXKP-UHFFFAOYSA-N 0 2 371.187 2.966 20 30 FFEDLN N#Cc1nc(NC(=O)c2ccc(Br)c(Cl)c2F)[nH]c1C#N ZINC000444723777 514305561 /nfs/dbraw/zinc/30/55/61/514305561.db2.gz XCGCAMNSMGBWSS-UHFFFAOYSA-N 0 2 368.553 2.960 20 30 FFEDLN Cc1cc(Br)cnc1NS(=O)(=O)c1ccc(C#N)c(F)c1 ZINC000427777526 514312804 /nfs/dbraw/zinc/31/28/04/514312804.db2.gz YLNJSLPLTRXCRI-UHFFFAOYSA-N 0 2 370.203 2.964 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccc3nnc(C(C)C)n3c2)cc1C#N ZINC000438510153 514392416 /nfs/dbraw/zinc/39/24/16/514392416.db2.gz ZRVOKAFOOIRVHH-UHFFFAOYSA-N 0 2 368.422 2.799 20 30 FFEDLN CC(C)(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)c3ccc(C#N)o3)sc2C1 ZINC000424219646 514419694 /nfs/dbraw/zinc/41/96/94/514419694.db2.gz DZEXBSIFYFPEOX-UHFFFAOYSA-N 0 2 366.468 2.565 20 30 FFEDLN CC(C)(C)[N@H+]1CCc2nc([N-]S(=O)(=O)c3ccc(C#N)o3)sc2C1 ZINC000424219646 514419701 /nfs/dbraw/zinc/41/97/01/514419701.db2.gz DZEXBSIFYFPEOX-UHFFFAOYSA-N 0 2 366.468 2.565 20 30 FFEDLN C=CCOCC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439245516 514512552 /nfs/dbraw/zinc/51/25/52/514512552.db2.gz AUVGXMQRYTUAIR-UHFFFAOYSA-N 0 2 355.167 2.514 20 30 FFEDLN N#Cc1ccc(OCC(=O)Nc2nc(-c3c(F)cccc3F)n[nH]2)cc1 ZINC000479765295 514715449 /nfs/dbraw/zinc/71/54/49/514715449.db2.gz IMLONDXJVQLNKV-UHFFFAOYSA-N 0 2 355.304 2.639 20 30 FFEDLN Cc1[nH][nH]c(=NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1C#N ZINC000508753267 514884805 /nfs/dbraw/zinc/88/48/05/514884805.db2.gz LHPOPLZUNFHPST-CYBMUJFWSA-N 0 2 358.401 2.985 20 30 FFEDLN Cc1[nH][nH]c(=NC(=O)c2cccc(COc3ccc(C#N)cc3)c2)c1C#N ZINC000508760989 514887052 /nfs/dbraw/zinc/88/70/52/514887052.db2.gz FKLDBACNTVDZBV-UHFFFAOYSA-N 0 2 357.373 2.715 20 30 FFEDLN Cn1ncc(Cl)c1S(=O)(=O)Nc1cccc(OCCCC#N)c1 ZINC000485386981 515019022 /nfs/dbraw/zinc/01/90/22/515019022.db2.gz FLDNGRZHHFKYHT-UHFFFAOYSA-N 0 2 354.819 2.557 20 30 FFEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1cc(C)ccc1NC(C)=O ZINC000463513874 515532121 /nfs/dbraw/zinc/53/21/21/515532121.db2.gz GPRFZJAAJZHVEE-UHFFFAOYSA-N 0 2 359.407 2.635 20 30 FFEDLN CCOc1cc2c(cc1NS(=O)(=O)c1cccc(C)c1C#N)OCCO2 ZINC000488391592 516213588 /nfs/dbraw/zinc/21/35/88/516213588.db2.gz YNEGONHVZZMQAQ-UHFFFAOYSA-N 0 2 374.418 2.837 20 30 FFEDLN N#Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)nn2)ccc1Cl ZINC000484031200 516283658 /nfs/dbraw/zinc/28/36/58/516283658.db2.gz ASQGXKLRRRJVFU-UHFFFAOYSA-N 0 2 362.720 2.821 20 30 FFEDLN Cc1ccn2c(c1)nc(Cn1[nH]c(C(C)(C)C)c(CCC#N)c1=O)cc2=O ZINC000536155114 516655903 /nfs/dbraw/zinc/65/59/03/516655903.db2.gz PDHOLAOFCXQNNK-UHFFFAOYSA-N 0 2 365.437 2.707 20 30 FFEDLN COCCOc1ccc(NC(=O)c2cc(C#N)c(SC)[nH]c2=O)c(C)c1 ZINC000551394783 516690808 /nfs/dbraw/zinc/69/08/08/516690808.db2.gz FKTUWOOUDBJNGT-UHFFFAOYSA-N 0 2 373.434 2.967 20 30 FFEDLN N#CCc1ccnc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000531907470 516705684 /nfs/dbraw/zinc/70/56/84/516705684.db2.gz QCDFHKFBOTWTEZ-UHFFFAOYSA-N 0 2 357.313 2.847 20 30 FFEDLN N#Cc1cc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)ccc1F ZINC000524453459 516724494 /nfs/dbraw/zinc/72/44/94/516724494.db2.gz MFLMJEFJQPKBEV-UHFFFAOYSA-N 0 2 363.345 2.522 20 30 FFEDLN CC(=O)c1cccc(S(=O)(=O)Nc2cc(C)c(N(C)C)cc2C#N)c1 ZINC000555134089 516797983 /nfs/dbraw/zinc/79/79/83/516797983.db2.gz CHWIGMPIUHNBPA-UHFFFAOYSA-N 0 2 357.435 2.936 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)N2Cc3ccccc3OC[C@@H]2C)cc1C#N ZINC000541133239 516894494 /nfs/dbraw/zinc/89/44/94/516894494.db2.gz GYTCLQMPVMJGFA-NSHDSACASA-N 0 2 355.419 2.804 20 30 FFEDLN N#C[C@@H](C(=O)c1cnn(-c2ccccn2)c1C(F)(F)F)c1ccncn1 ZINC000544817668 516941365 /nfs/dbraw/zinc/94/13/65/516941365.db2.gz XJEYXQMHIGCUTE-SNVBAGLBSA-N 0 2 358.283 2.566 20 30 FFEDLN CC(=O)Nc1cc(NS(=O)(=O)c2ccc(C#N)cc2[N+](=O)[O-])ccc1C ZINC000525482912 517054589 /nfs/dbraw/zinc/05/45/89/517054589.db2.gz QINMENFCYHWYGO-UHFFFAOYSA-N 0 2 374.378 2.534 20 30 FFEDLN COC(=O)c1cccc(CN(C)Cc2nc(=O)c3sccc3[nH]2)c1C#N ZINC000545229570 517118710 /nfs/dbraw/zinc/11/87/10/517118710.db2.gz SWBCDOOPEXLPPY-UHFFFAOYSA-N 0 2 368.418 2.687 20 30 FFEDLN C=CCNC(=O)c1cccc(S(=O)(=O)Nc2ncc(CCC)s2)c1 ZINC000537354038 517153756 /nfs/dbraw/zinc/15/37/56/517153756.db2.gz YZTSGENIQSQOOG-UHFFFAOYSA-N 0 2 365.480 2.812 20 30 FFEDLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(C#N)cc1 ZINC000556346753 517382187 /nfs/dbraw/zinc/38/21/87/517382187.db2.gz JZIFWAAIJAPLPC-UHFFFAOYSA-N 0 2 350.783 2.799 20 30 FFEDLN CCSc1nnc(NS(=O)(=O)c2ccc(C#N)cc2Cl)s1 ZINC000547268651 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C=C[C@@H]1OCC[C@H]1CNC(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000516177451 517604064 /nfs/dbraw/zinc/60/40/64/517604064.db2.gz OCQGKYHEMWEYEB-QWRGUYRKSA-N 0 2 350.469 2.710 20 30 FFEDLN CC1(C)Cc2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)c2O1 ZINC000530487237 517805175 /nfs/dbraw/zinc/80/51/75/517805175.db2.gz SMNODJGNAXCRBY-UHFFFAOYSA-N 0 2 373.390 2.981 20 30 FFEDLN CC(C)(Oc1ccc(C#N)cc1)C(=O)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000557085295 517843727 /nfs/dbraw/zinc/84/37/27/517843727.db2.gz KZMRNWHJBGEYLH-UHFFFAOYSA-N 0 2 363.377 2.845 20 30 FFEDLN Cc1nc(-c2ccc(C)c(NS(=O)(=O)c3ccc(C#N)cc3F)c2)n[nH]1 ZINC000530665700 517908990 /nfs/dbraw/zinc/90/89/90/517908990.db2.gz WFDGQJHSJGXERJ-UHFFFAOYSA-N 0 2 371.397 2.900 20 30 FFEDLN COCCOc1ccc(C#N)cc1NS(=O)(=O)c1cc(C)cc(F)c1 ZINC000543164264 517941329 /nfs/dbraw/zinc/94/13/29/517941329.db2.gz KYLCDKBMBBKQFJ-UHFFFAOYSA-N 0 2 364.398 2.832 20 30 FFEDLN CCOC(=O)c1cnc(/C=C\c2c[nH+]c3ccc(C#N)cn23)c(C(=O)[O-])c1 ZINC000539233308 517958543 /nfs/dbraw/zinc/95/85/43/517958543.db2.gz IXOQNEYJGYKKHF-PLNGDYQASA-N 0 2 362.345 2.646 20 30 FFEDLN N#Cc1cncc(S(=O)(=O)Nc2cc(CCc3ccccc3)ccn2)c1 ZINC000517268553 518100055 /nfs/dbraw/zinc/10/00/55/518100055.db2.gz XVTORSOVQKJONN-UHFFFAOYSA-N 0 2 364.430 2.934 20 30 FFEDLN COc1cc(C#N)ccc1NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000547414325 518127105 /nfs/dbraw/zinc/12/71/05/518127105.db2.gz TVBAVPZTQZDRLY-UHFFFAOYSA-N 0 2 357.313 2.781 20 30 FFEDLN N#Cc1cc(F)cc(C2(C(=O)Nc3cccc(-c4nc(=O)o[nH]4)c3)CC2)c1 ZINC000586770251 518635018 /nfs/dbraw/zinc/63/50/18/518635018.db2.gz JKSNZEJOCCEGIH-UHFFFAOYSA-N 0 2 364.336 2.711 20 30 FFEDLN N#CCc1ccc(S(=O)(=O)Nc2nnc(C3CC3)s2)c(Cl)c1 ZINC000573554958 518723694 /nfs/dbraw/zinc/72/36/94/518723694.db2.gz DAEWRFFGGBWBRN-UHFFFAOYSA-N 0 2 354.844 2.936 20 30 FFEDLN Cc1[nH][nH]c(=NC(=O)[C@H](c2ccccc2)N2CCc3ccccc32)c1C#N ZINC000588718070 518814872 /nfs/dbraw/zinc/81/48/72/518814872.db2.gz RDWBDPKTZQATFI-IBGZPJMESA-N 0 2 357.417 2.754 20 30 FFEDLN Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Oc2cccc(C#N)c2)nc1 ZINC000588842521 518846384 /nfs/dbraw/zinc/84/63/84/518846384.db2.gz ZVCIUPNLSGFXKX-UHFFFAOYSA-N 0 2 369.406 2.588 20 30 FFEDLN N#CCc1cccc(S(=O)(=O)Nc2nnc(Cc3ccccc3F)o2)c1 ZINC000589592047 519035904 /nfs/dbraw/zinc/03/59/04/519035904.db2.gz DMFCPOFRJMFSTJ-UHFFFAOYSA-N 0 2 372.381 2.666 20 30 FFEDLN N#CCc1cccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)c1 ZINC000589586856 519036661 /nfs/dbraw/zinc/03/66/61/519036661.db2.gz IZMBSANLCIDSAW-UHFFFAOYSA-N 0 2 362.358 2.510 20 30 FFEDLN CCc1c(NS(=O)(=O)c2ccc(C#N)c(F)c2)cnn1CC(C)C ZINC000589965559 519115527 /nfs/dbraw/zinc/11/55/27/519115527.db2.gz AJKBGLGTBBLFDS-UHFFFAOYSA-N 0 2 350.419 2.913 20 30 FFEDLN Cn1cc(NS(=O)(=O)c2ccc(CC#N)cc2Cl)c(C2CC2)n1 ZINC000583481430 519270005 /nfs/dbraw/zinc/27/00/05/519270005.db2.gz XGLRFBIOMNJSDT-UHFFFAOYSA-N 0 2 350.831 2.818 20 30 FFEDLN N#Cc1cc(S(=O)(=O)Nc2ccn(C3CCOCC3)n2)ccc1Cl ZINC000594697358 520096300 /nfs/dbraw/zinc/09/63/00/520096300.db2.gz USQCMZBANIEJCU-UHFFFAOYSA-N 0 2 366.830 2.560 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)N(C)Cc2ccccc2[N+](=O)[O-])cc1C#N ZINC000603594396 520321423 /nfs/dbraw/zinc/32/14/23/520321423.db2.gz MTQLIOMZWCKYOR-UHFFFAOYSA-N 0 2 358.379 2.561 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)NC[C@H]2CCc3ccccc3C2)cc1C#N ZINC000609772272 520427214 /nfs/dbraw/zinc/42/72/14/520427214.db2.gz DVSHUTFVQZMVDB-LBPRGKRZSA-N 0 2 353.447 2.916 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)N[C@H](c2ccccc2)[C@@H](O)C(C)C)cc1C#N ZINC000598354882 520573286 /nfs/dbraw/zinc/57/32/86/520573286.db2.gz ZRTSDXANCGPQHA-CVEARBPZSA-N 0 2 371.462 2.869 20 30 FFEDLN CC(C)(C#N)c1ccc(S(=O)(=O)Nc2cnn(C[C@H]3CCCO3)c2)cc1 ZINC000593194528 520817294 /nfs/dbraw/zinc/81/72/94/520817294.db2.gz HEZFTUITZFXVTJ-MRXNPFEDSA-N 0 2 374.466 2.664 20 30 FFEDLN Cc1cc(NS(=O)(=O)c2ccc(C(=O)C(C)C)cc2)n(CCC#N)n1 ZINC000608257976 521640008 /nfs/dbraw/zinc/64/00/08/521640008.db2.gz LSNXMDOSBWVCAL-UHFFFAOYSA-N 0 2 360.439 2.745 20 30 FFEDLN Cn1cc(-c2ccc(=NC(=O)N[C@@H]3CCCc4cc(C#N)ccc43)[nH]n2)cn1 ZINC000516633545 562052043 /nfs/dbraw/zinc/05/20/43/562052043.db2.gz AFTQXPQQNDLJIX-GOSISDBHSA-N 0 2 373.420 2.948 20 30 FFEDLN C=CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1cccs1 ZINC000736108101 600049267 /nfs/dbraw/zinc/04/92/67/600049267.db2.gz JUFUPEVKHMHMFT-SFHVURJKSA-N 0 2 370.474 2.774 20 30 FFEDLN C=CC[N@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1cccs1 ZINC000736108101 600049271 /nfs/dbraw/zinc/04/92/71/600049271.db2.gz JUFUPEVKHMHMFT-SFHVURJKSA-N 0 2 370.474 2.774 20 30 FFEDLN Cc1ccc(N2CCC[C@H]([NH2+][C@@H](C(=O)[O-])c3cccc(C#N)c3)C2=O)cc1 ZINC000832937972 601306203 /nfs/dbraw/zinc/30/62/03/601306203.db2.gz CXEJXTHVUCFRBH-RBUKOAKNSA-N 0 2 363.417 2.778 20 30 FFEDLN C[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)[N@H+](C)Cc1ccccc1 ZINC000826061435 601353467 /nfs/dbraw/zinc/35/34/67/601353467.db2.gz SFJGDGGBZCBMQE-KDOFPFPSSA-N 0 2 352.390 2.748 20 30 FFEDLN C[C@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)[N@@H+](C)Cc1ccccc1 ZINC000826061435 601353471 /nfs/dbraw/zinc/35/34/71/601353471.db2.gz SFJGDGGBZCBMQE-KDOFPFPSSA-N 0 2 352.390 2.748 20 30 FFEDLN CC[N@H+](C)[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000829608404 601354794 /nfs/dbraw/zinc/35/47/94/601354794.db2.gz JGAAQRMENKRLCB-MSOLQXFVSA-N 0 2 352.390 2.920 20 30 FFEDLN CC[N@@H+](C)[C@@H](C(=O)O[C@H](C(=O)[O-])c1cccc(C#N)c1)c1ccccc1 ZINC000829608404 601354796 /nfs/dbraw/zinc/35/47/96/601354796.db2.gz JGAAQRMENKRLCB-MSOLQXFVSA-N 0 2 352.390 2.920 20 30 FFEDLN Cc1[nH+]c(C(=O)[O-])cn1CC(=O)Nc1ccccc1S[C@@H](C)CC#N ZINC000832995611 601637748 /nfs/dbraw/zinc/63/77/48/601637748.db2.gz GMJNVAXFVNSHOQ-NSHDSACASA-N 0 2 358.423 2.923 20 30 FFEDLN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)c1 ZINC000740066495 601981563 /nfs/dbraw/zinc/98/15/63/601981563.db2.gz KIMFFLGDZQIDCP-QGZVFWFLSA-N 0 2 372.469 2.624 20 30 FFEDLN Cc1cc(C)cc(N(CCC#N)C(=O)C[N@@H+]2CCC[C@@H](N(C)C(=O)[O-])C2)c1 ZINC000740066495 601981564 /nfs/dbraw/zinc/98/15/64/601981564.db2.gz KIMFFLGDZQIDCP-QGZVFWFLSA-N 0 2 372.469 2.624 20 30 FFEDLN Cc1ccc(Br)cc1S(=O)(=O)Nc1ncc(C#N)s1 ZINC000610725617 675992078 /nfs/dbraw/zinc/99/20/78/675992078.db2.gz ROGQUJVUQHGNSQ-UHFFFAOYSA-N 0 2 358.242 2.887 20 30 FFEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3cccc(C)n3)cc2[nH]c1=S ZINC000028194520 727883798 /nfs/dbraw/zinc/88/37/98/727883798.db2.gz DJXWMUWUCSAYBQ-UHFFFAOYSA-N 0 2 352.419 2.827 20 30 FFEDLN C=CCn1c(=O)c2ccc(C(=O)NCCc3ccsc3)cc2[nH]c1=S ZINC000047493530 728034241 /nfs/dbraw/zinc/03/42/41/728034241.db2.gz XZYAAIQHKNWNMM-UHFFFAOYSA-N 0 2 371.487 2.905 20 30 FFEDLN N#C[C@H](C(=O)C[C@@H]1CCS(=O)(=O)C1)c1nc(-c2ccccc2)cs1 ZINC000076552603 728262796 /nfs/dbraw/zinc/26/27/96/728262796.db2.gz QUCYOBQEWITCAH-GXTWGEPZSA-N 0 2 360.460 2.811 20 30 FFEDLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCc1cccc(Br)c1 ZINC000123084111 728654955 /nfs/dbraw/zinc/65/49/55/728654955.db2.gz ILJUPCGHRUDSMJ-CYBMUJFWSA-N 0 2 360.211 2.707 20 30 FFEDLN COc1ccc(-c2nc(SCc3ncc(C)o3)[nH]c(=O)c2C#N)cc1 ZINC000134128967 728728749 /nfs/dbraw/zinc/72/87/49/728728749.db2.gz BUFJFVBXODOETH-UHFFFAOYSA-N 0 2 354.391 2.906 20 30 FFEDLN Cc1csc(C(C#N)C(=O)[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)n1 ZINC000136092758 728739294 /nfs/dbraw/zinc/73/92/94/728739294.db2.gz SNDMNZWABLPMHK-SQWLQELKSA-N 0 2 357.410 2.987 20 30 FFEDLN N#CC(C(=O)CCOC1CCOCC1)c1nc(-c2ccncc2)cs1 ZINC000175956614 729104780 /nfs/dbraw/zinc/10/47/80/729104780.db2.gz HLQMKSQAARFYGC-OAHLLOKOSA-N 0 2 357.435 2.967 20 30 FFEDLN N#C[C@H](C(=O)CCOC1CCOCC1)c1nc(-c2ccncc2)cs1 ZINC000175956614 729104789 /nfs/dbraw/zinc/10/47/89/729104789.db2.gz HLQMKSQAARFYGC-OAHLLOKOSA-N 0 2 357.435 2.967 20 30 FFEDLN CC(C)c1csc(C(C#N)C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000177749056 729145498 /nfs/dbraw/zinc/14/54/98/729145498.db2.gz FOBOIFQKOGXEJI-ZJUUUORDSA-N 0 2 359.373 2.854 20 30 FFEDLN CC(C)c1csc([C@@H](C#N)C(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)n1 ZINC000177749056 729145508 /nfs/dbraw/zinc/14/55/08/729145508.db2.gz FOBOIFQKOGXEJI-ZJUUUORDSA-N 0 2 359.373 2.854 20 30 FFEDLN CC(C)c1csc([C@H](C#N)C(=O)CCCN2C(=O)NC(C)(C)C2=O)n1 ZINC000177753685 729145919 /nfs/dbraw/zinc/14/59/19/729145919.db2.gz PIPBTCFEOLCCGM-LLVKDONJSA-N 0 2 362.455 2.553 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CC[C@@H]2CC2(F)F)C1=O ZINC000857210853 730385436 /nfs/dbraw/zinc/38/54/36/730385436.db2.gz FOQLINXDGICBJJ-KOLCDFICSA-N 0 2 373.450 2.861 20 30 FFEDLN C=CCn1c(=O)c2ccc(C(=O)NCC[C@H]3CC3(F)F)cc2[nH]c1=S ZINC000857350242 730393145 /nfs/dbraw/zinc/39/31/45/730393145.db2.gz PSIIIALYGSYYIU-NSHDSACASA-N 0 2 365.405 2.646 20 30 FFEDLN CCC(=NN[C@H]1CCCS(=O)(=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000863128367 730751642 /nfs/dbraw/zinc/75/16/42/730751642.db2.gz LQNZVJMCBKFPAL-JTQLQIEISA-N 0 2 365.282 2.980 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccccc2)N([C@H]2C[C@H](SC)C2)C1=O ZINC000865233148 730927036 /nfs/dbraw/zinc/92/70/36/730927036.db2.gz CKSWETGDBWKKPK-MGPQQGTHSA-N 0 2 363.508 2.648 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@H]2C[C@H](SC)C2)C1=O ZINC000865233148 730927042 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Cn1c2ccccc2nc1C(C#N)C(=O)COc1ccc2ccc(=O)oc2c1 ZINC000122281890 970219048 /nfs/dbraw/zinc/21/90/48/970219048.db2.gz HJWGALXWTJRXKS-OAHLLOKOSA-N 0 2 373.368 2.935 20 30 FFEDLN Cn1c2ccccc2nc1[C@H](C#N)C(=O)COc1ccc2ccc(=O)oc2c1 ZINC000122281890 970219056 /nfs/dbraw/zinc/21/90/56/970219056.db2.gz HJWGALXWTJRXKS-OAHLLOKOSA-N 0 2 373.368 2.935 20 30 FFEDLN C[NH+](C)Cc1ccc(NC(=O)[C@H]2[NH2+]CCc3cc(C#N)ccc32)cc1F ZINC000876776962 1014390074 /nfs/dbraw/zinc/39/00/74/1014390074.db2.gz LUAFXHNMSCLEPE-IBGZPJMESA-N 0 2 352.413 2.584 20 30 FFEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3cnccc3OC)cc2[nH]c1=S ZINC000729351936 978251941 /nfs/dbraw/zinc/25/19/41/978251941.db2.gz FXVFHCSYPWMPSR-UHFFFAOYSA-N 0 2 368.418 2.527 20 30 FFEDLN O=[N+]([O-])c1ccc(O)c(/C=N/Cc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000027445461 981437713 /nfs/dbraw/zinc/43/77/13/981437713.db2.gz TVADHQTZFIZKRZ-KPSZGOFPSA-N 0 2 365.271 2.981 20 30 FFEDLN C=CCCC[C@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)C(=O)[O-] ZINC000908834867 981548242 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CCCCCCCC(=O)c1ccc(O)c(C(=O)N2CCNC[C@@H]2C#N)c1 ZINC001197365358 1004176161 /nfs/dbraw/zinc/17/61/61/1004176161.db2.gz JOQFRJRUSCOAKI-INIZCTEOSA-N 0 2 357.454 2.873 20 30 FFEDLN N=C(c1ccccc1N)N(O)C(=O)c1[nH]nc2ccc(Br)cc21 ZINC001198419747 1004612206 /nfs/dbraw/zinc/61/22/06/1004612206.db2.gz YQMKFCHJYDXTCB-UHFFFAOYSA-N 0 2 374.198 2.765 20 30 FFEDLN COc1ncccc1S(=O)(=O)Nc1ccc(Br)c(C#N)c1 ZINC001194711544 1004800985 /nfs/dbraw/zinc/80/09/85/1004800985.db2.gz NVSLGPHELRZKAX-UHFFFAOYSA-N 0 2 368.212 2.525 20 30 FFEDLN N#Cc1ccc(O)c(NS(=O)(=O)c2cccc(F)c2Br)c1 ZINC001201781847 1005273022 /nfs/dbraw/zinc/27/30/22/1005273022.db2.gz SRTVAJCOIFJIJO-UHFFFAOYSA-N 0 2 371.187 2.966 20 30 FFEDLN C#Cc1cccc(N=C2SC(CC(=O)NC3CC3)C(=O)N2CCC=C)c1 ZINC000853240616 1006345492 /nfs/dbraw/zinc/34/54/92/1006345492.db2.gz PIPWKHXXBWZTIO-KRWDZBQOSA-N 0 2 367.474 2.844 20 30 FFEDLN C#Cc1cccc(N=C2S[C@@H](CC(=O)NC3CC3)C(=O)N2CCC=C)c1 ZINC000853240616 1006345508 /nfs/dbraw/zinc/34/55/08/1006345508.db2.gz PIPWKHXXBWZTIO-KRWDZBQOSA-N 0 2 367.474 2.844 20 30 FFEDLN CCCCCCCCS(=O)(=O)Nc1c(C#N)cnn1-c1ncccn1 ZINC001187994990 1006357203 /nfs/dbraw/zinc/35/72/03/1006357203.db2.gz XMVWYCDVHWWCHB-UHFFFAOYSA-N 0 2 362.459 2.636 20 30 FFEDLN CCCCCCCCS(=O)(=O)Nc1nc(OC)ccc1C(=O)OC ZINC001188002239 1006361765 /nfs/dbraw/zinc/36/17/65/1006361765.db2.gz ZWODGRJWMJDLMQ-UHFFFAOYSA-N 0 2 358.460 2.979 20 30 FFEDLN C#C[C@H](NC(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)C1CCOCC1 ZINC000856107576 1007690948 /nfs/dbraw/zinc/69/09/48/1007690948.db2.gz QASPVHBVDKBQKF-SFHVURJKSA-N 0 2 367.449 2.860 20 30 FFEDLN CC1(C)CNC(=O)c2ccc(NS(=O)(=O)c3cc(C#N)ccc3F)cc21 ZINC001190657485 1007737977 /nfs/dbraw/zinc/73/79/77/1007737977.db2.gz BRTFKWHQVAZCRF-UHFFFAOYSA-N 0 2 373.409 2.519 20 30 FFEDLN COC(=O)[C@@H]1CCc2cc(NS(=O)(=O)c3cc(C#N)ccc3F)ccc21 ZINC001190657752 1007738051 /nfs/dbraw/zinc/73/80/51/1007738051.db2.gz KGHKGHNDOMVDDE-OAHLLOKOSA-N 0 2 374.393 2.701 20 30 FFEDLN N#CC(C(=O)NCc1ccc(F)cc1F)=C([O-])c1c[nH+]c2n1CCCCC2 ZINC000857022531 1008040784 /nfs/dbraw/zinc/04/07/84/1008040784.db2.gz PJLVVPVOZJFGRP-CQSZACIVSA-N 0 2 372.375 2.527 20 30 FFEDLN O=C(CC1SC(=Nc2ccc(F)cc2)N([C@H]2CC23CC3)C1=O)NC1CC1 ZINC000819839236 1008237778 /nfs/dbraw/zinc/23/77/78/1008237778.db2.gz HEGVSLIWUFLGJE-GJZGRUSLSA-N 0 2 373.453 2.978 20 30 FFEDLN O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N([C@H]2CC23CC3)C1=O)NC1CC1 ZINC000819839236 1008237783 /nfs/dbraw/zinc/23/77/83/1008237783.db2.gz HEGVSLIWUFLGJE-GJZGRUSLSA-N 0 2 373.453 2.978 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2)N([C@@H]2CC[C@H](C#N)C2)C1=O ZINC000819840212 1008237803 /nfs/dbraw/zinc/23/78/03/1008237803.db2.gz GVKYIGOVBMEBIT-NUEKZKHPSA-N 0 2 370.478 2.755 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(C)cc2)N([C@@H]2CC[C@H](C#N)C2)C1=O ZINC000819840212 1008237806 /nfs/dbraw/zinc/23/78/06/1008237806.db2.gz GVKYIGOVBMEBIT-NUEKZKHPSA-N 0 2 370.478 2.755 20 30 FFEDLN CC[NH+](C)C(C)(C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C#N)c(F)c1 ZINC001110741014 1008316284 /nfs/dbraw/zinc/31/62/84/1008316284.db2.gz NQAKNNBVIMYFPW-QRQLOZEOSA-N 0 2 372.488 2.649 20 30 FFEDLN C=CCN1C[C@@]2(CC[N@@H+](Cc3cc(Cl)c([O-])c(Cl)c3)C2)OCC1=O ZINC001275321573 1012290084 /nfs/dbraw/zinc/29/00/84/1012290084.db2.gz DIMOXRFXJKPJJV-KRWDZBQOSA-N 0 2 371.264 2.688 20 30 FFEDLN C=CCN1C[C@@]2(CC[N@H+](Cc3cc(Cl)c([O-])c(Cl)c3)C2)OCC1=O ZINC001275321573 1012290097 /nfs/dbraw/zinc/29/00/97/1012290097.db2.gz DIMOXRFXJKPJJV-KRWDZBQOSA-N 0 2 371.264 2.688 20 30 FFEDLN C[C@]1(C(=O)NOc2cccc(C#N)c2)CCCN(C(=O)c2ccccc2)C1 ZINC000870692622 1012529832 /nfs/dbraw/zinc/52/98/32/1012529832.db2.gz IJBRBJHWUGTOBF-NRFANRHFSA-N 0 2 363.417 2.911 20 30 FFEDLN C#Cc1cccc(N=C2SC(CC(=O)NC)C(=O)N2[C@@H]2CC23CCC3)c1 ZINC000871642072 1013026191 /nfs/dbraw/zinc/02/61/91/1013026191.db2.gz RKRDXBZXUODBIR-JKSUJKDBSA-N 0 2 367.474 2.678 20 30 FFEDLN C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2[C@@H]2CC23CCC3)c1 ZINC000871642072 1013026205 /nfs/dbraw/zinc/02/62/05/1013026205.db2.gz RKRDXBZXUODBIR-JKSUJKDBSA-N 0 2 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CC(C)c1csc(C(C#N)C(=O)c2cn(C)nc2-c2cnn(C)c2)n1 ZINC000548381834 516947337 /nfs/dbraw/zinc/94/73/37/516947337.db2.gz OQHYSMHFWCKKIL-LBPRGKRZSA-N 0 2 354.439 2.891 20 30 FFEDLN Cc1cnc(NS(=O)(=O)c2cccc(Br)c2C#N)s1 ZINC000514641638 516976464 /nfs/dbraw/zinc/97/64/64/516976464.db2.gz CNAQMJVWBPLGDF-UHFFFAOYSA-N 0 2 358.242 2.887 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccc(-c3cc(=O)[nH][nH]3)cc2)cc1C#N ZINC000559170912 517110850 /nfs/dbraw/zinc/11/08/50/517110850.db2.gz OZHPADWZAKOHAR-UHFFFAOYSA-N 0 2 367.390 2.729 20 30 FFEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)o2)c(F)c1 ZINC000562487931 517139335 /nfs/dbraw/zinc/13/93/35/517139335.db2.gz UUKPHWQHFPVDCS-UHFFFAOYSA-N 0 2 350.375 2.929 20 30 FFEDLN COc1ccc(CS(=O)(=O)c2n[nH]c(-c3ccc(C)cc3)n2)cc1C#N ZINC000556063916 517252489 /nfs/dbraw/zinc/25/24/89/517252489.db2.gz NHANQZTXOUOYPN-UHFFFAOYSA-N 0 2 368.418 2.634 20 30 FFEDLN COCc1cccc(S(=O)(=O)Nc2cc(C)c(N(C)C)cc2C#N)c1 ZINC000563579758 517995072 /nfs/dbraw/zinc/99/50/72/517995072.db2.gz 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CC(C)(C#N)c1ccc(S(=O)(=O)Nc2ccn(CC(F)F)n2)cc1 ZINC000593205896 520826767 /nfs/dbraw/zinc/82/67/67/520826767.db2.gz BQXBHXDVRADAAN-UHFFFAOYSA-N 0 2 354.382 2.750 20 30 FFEDLN COC(=O)c1ccc(C(=O)[C@H](C#N)c2nc3c(nccc3C)[nH]2)cc1F ZINC000610871140 520883188 /nfs/dbraw/zinc/88/31/88/520883188.db2.gz IZVPCNWLDYPPND-LBPRGKRZSA-N 0 2 352.325 2.682 20 30 FFEDLN N#Cc1cc(S(=O)(=O)Nc2cnn3c2CCCC3)ccc1C(F)(F)F ZINC000601977952 521054184 /nfs/dbraw/zinc/05/41/84/521054184.db2.gz NDYFMSZWGSFKDF-UHFFFAOYSA-N 0 2 370.356 2.911 20 30 FFEDLN C=CCn1c(Cc2ccccc2)nn(C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000825711191 601817034 /nfs/dbraw/zinc/81/70/34/601817034.db2.gz SONRQDCJLIUGIH-ZBFHGGJFSA-N 0 2 372.494 2.801 20 30 FFEDLN C=CCn1c(Cc2ccccc2)nn(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000825711191 601817035 /nfs/dbraw/zinc/81/70/35/601817035.db2.gz SONRQDCJLIUGIH-ZBFHGGJFSA-N 0 2 372.494 2.801 20 30 FFEDLN C=CCn1c(-c2ccccn2)nn(C[N@@H+](CCC(=O)[O-])C(C)C)c1=S ZINC000825705664 602192099 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C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1cccc2c1OCCO2 ZINC000779848409 738489838 /nfs/dbraw/zinc/48/98/38/738489838.db2.gz NDGIXGYOVQUYNQ-GFCCVEGCSA-N 0 2 360.391 2.549 20 30 FFEDLN COc1ccc(NC(=O)CC2S/C(=N/[C@@H]3C[C@@H]3C)NC2=O)cc1Cl ZINC000864344836 730840533 /nfs/dbraw/zinc/84/05/33/730840533.db2.gz HWBNXBNFLZSTGM-KDDOJWQBSA-N 0 2 367.858 2.673 20 30 FFEDLN Cc1ccc(NC(=O)CC2S/C(=N/[C@@H]3C[C@H]3C)NC2=O)cc1Cl ZINC000864345422 730840798 /nfs/dbraw/zinc/84/07/98/730840798.db2.gz WJSRTRSEHPACDG-WQAKAFBOSA-N 0 2 351.859 2.973 20 30 FFEDLN C[C@@H]1C[NH+](Cc2cc(=O)oc3cc([O-])c(Cl)cc23)C[C@@H](C)N1CC#N ZINC000878772545 732591868 /nfs/dbraw/zinc/59/18/68/732591868.db2.gz ODFRSTCYTRGECL-VXGBXAGGSA-N 0 2 361.829 2.570 20 30 FFEDLN N#C[C@H](C(=O)CCCN1C(=O)CCC1=O)c1nc2cc(F)ccc2s1 ZINC000730420954 734636402 /nfs/dbraw/zinc/63/64/02/734636402.db2.gz IVNRJCWOKRYAJP-LLVKDONJSA-N 0 2 359.382 2.541 20 30 FFEDLN N#C[C@H](C(=O)[C@H]1CCC[C@H](C(N)=O)C1)c1nc(-c2ccncc2)cs1 ZINC000786936142 739090622 /nfs/dbraw/zinc/09/06/22/739090622.db2.gz POHIOFFAYGPQGD-MELADBBJSA-N 0 2 354.435 2.673 20 30 FFEDLN O=S(=O)(Nc1nncs1)c1ccc(NN=Cc2ccsc2)cc1 ZINC000751135307 735848391 /nfs/dbraw/zinc/84/83/91/735848391.db2.gz YMVDVOGWOSCUNS-UHFFFAOYSA-N 0 2 365.465 2.846 20 30 FFEDLN O=C(CC1SC(=Nc2ccc(F)cc2)N(CC(F)F)C1=O)NC1CC1 ZINC000751923939 735935304 /nfs/dbraw/zinc/93/53/04/735935304.db2.gz VWNOXDHPXOVBOT-LBPRGKRZSA-N 0 2 371.384 2.691 20 30 FFEDLN O=C(C[C@@H]1SC(=Nc2ccc(F)cc2)N(CC(F)F)C1=O)NC1CC1 ZINC000751923939 735935309 /nfs/dbraw/zinc/93/53/09/735935309.db2.gz VWNOXDHPXOVBOT-LBPRGKRZSA-N 0 2 371.384 2.691 20 30 FFEDLN CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@H](NC(=O)c2cccc(Cl)c2O)C1 ZINC000757599195 736412235 /nfs/dbraw/zinc/41/22/35/736412235.db2.gz XXWHRRSMXUCZKM-ZWNOBZJWSA-N 0 2 365.817 2.534 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccccc2C)N(C/C=C\Cl)C1=O ZINC000906509971 736511821 /nfs/dbraw/zinc/51/18/21/736511821.db2.gz GKTLCQCCRNOZLL-BKYHOPHNSA-N 0 2 351.859 2.815 20 30 FFEDLN 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[O-]C(=[NH+][C@@H]1CCc2[nH+]c[nH]c2C1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000329733055 512092129 /nfs/dbraw/zinc/09/21/29/512092129.db2.gz JIJGWBROUNRXMK-PDOICOKGSA-N 0 2 366.465 2.686 20 30 FFEDLN CCOc1ccc(NS(=O)(=O)c2ccc(C#N)c(C)c2)c([N+](=O)[O-])c1 ZINC000446758643 513332851 /nfs/dbraw/zinc/33/28/51/513332851.db2.gz KWQRBASUGCMCBB-UHFFFAOYSA-N 0 2 361.379 2.974 20 30 FFEDLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(OC(C)(C)C)c(C#N)c1 ZINC000451087173 513509450 /nfs/dbraw/zinc/50/94/50/513509450.db2.gz OPXNLWLAFPKGQK-UHFFFAOYSA-N 0 2 362.455 2.887 20 30 FFEDLN COc1ccc(-c2csc(C(C#N)C(=O)c3nnn(C)c3C)n2)cc1 ZINC000442877988 513802304 /nfs/dbraw/zinc/80/23/04/513802304.db2.gz RYQMZPCWEYINTM-ZDUSSCGKSA-N 0 2 353.407 2.746 20 30 FFEDLN C=CCCc1ccccc1NS(=O)(=O)c1csnc1C(=O)OC ZINC000443415048 513963622 /nfs/dbraw/zinc/96/36/22/513963622.db2.gz DQLAJOCTDBEZRW-UHFFFAOYSA-N 0 2 352.437 2.849 20 30 FFEDLN N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)c2ccc(F)cc2O)n1 ZINC000436747913 513965338 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CC#CCCCC(=O)N[C@]12CCC[C@H]1CN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001522384370 1062075494 /nfs/dbraw/zinc/07/54/94/1062075494.db2.gz IOLBUJXVDSLAQN-NOLJZWGESA-N 0 2 362.367 2.578 20 30 FFEDLN C=C(C)Cn1c(-c2c[nH]n(CC)c2=O)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001524379988 1062820370 /nfs/dbraw/zinc/82/03/70/1062820370.db2.gz NWPVUJFDSOGMDL-OAHLLOKOSA-N 0 2 374.489 2.695 20 30 FFEDLN C[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CCN1Cc1cc(F)ccc1C#N ZINC001566089889 1076894108 /nfs/dbraw/zinc/89/41/08/1076894108.db2.gz SEWBNIMAGWTOIM-IIMNLJJBSA-N 0 2 361.314 2.677 20 30 FFEDLN C[C@@H]1[C@@H](NC(=O)[C@H](F)C(F)(F)F)CCN1Cc1cc(F)ccc1C#N ZINC001566089889 1076894110 /nfs/dbraw/zinc/89/41/10/1076894110.db2.gz SEWBNIMAGWTOIM-IIMNLJJBSA-N 0 2 361.314 2.677 20 30 FFEDLN C[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CCN1Cc1cc(F)ccc1C#N ZINC001566089888 1076894839 /nfs/dbraw/zinc/89/48/39/1076894839.db2.gz SEWBNIMAGWTOIM-BIGNPOOSSA-N 0 2 361.314 2.677 20 30 FFEDLN C[C@@H]1[C@@H](NC(=O)[C@@H](F)C(F)(F)F)CCN1Cc1cc(F)ccc1C#N ZINC001566089888 1076894842 /nfs/dbraw/zinc/89/48/42/1076894842.db2.gz SEWBNIMAGWTOIM-BIGNPOOSSA-N 0 2 361.314 2.677 20 30 FFEDLN N#C[C@H](NC(=O)c1ccc(CNC(=O)C(F)(F)F)o1)c1ccc(F)cc1 ZINC001587888055 1079886075 /nfs/dbraw/zinc/88/60/75/1079886075.db2.gz JSZWCFXRLPCUMQ-LBPRGKRZSA-N 0 2 369.274 2.592 20 30 FFEDLN C=C[C@@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C)C(C)(C)C ZINC001588525355 1080078369 /nfs/dbraw/zinc/07/83/69/1080078369.db2.gz GOOWXUZKHAEHJQ-CYBMUJFWSA-N 0 2 359.430 2.661 20 30 FFEDLN COC[C@H](C)/N=C1\NC(=O)C(CC(=O)Nc2cccc3ccccc32)S1 ZINC000021131723 204747504 /nfs/dbraw/zinc/74/75/04/204747504.db2.gz NXAPFYIEGAGLNS-LRDDRELGSA-N 0 2 371.462 2.791 20 30 FFEDLN COC[C@H](C)/N=C1\NC(=O)[C@H](CC(=O)Nc2cccc3ccccc32)S1 ZINC000021131723 204747507 /nfs/dbraw/zinc/74/75/07/204747507.db2.gz NXAPFYIEGAGLNS-LRDDRELGSA-N 0 2 371.462 2.791 20 30 FFEDLN CCn1ncc(NS(=O)(=O)c2cc(C#N)ccc2C)c1C(F)(F)F ZINC000410409475 512255934 /nfs/dbraw/zinc/25/59/34/512255934.db2.gz 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ZINC000158179802 508668034 /nfs/dbraw/zinc/66/80/34/508668034.db2.gz QVDNDMMUONIPAO-UHFFFAOYSA-N 0 2 368.773 2.938 20 30 FFEDLN CC(C)n1nccc1NS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000154006388 508697200 /nfs/dbraw/zinc/69/72/00/508697200.db2.gz JUBBHTCSYHFWAO-UHFFFAOYSA-N 0 2 369.244 2.899 20 30 FFEDLN Cc1cccc(S(=O)(=O)Nc2cccc(Cl)c2-n2cncn2)c1C#N ZINC000137247031 508747300 /nfs/dbraw/zinc/74/73/00/508747300.db2.gz SYESZRMOOPYWHU-UHFFFAOYSA-N 0 2 373.825 2.902 20 30 FFEDLN N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(OC(F)F)c1 ZINC000120889692 509083930 /nfs/dbraw/zinc/08/39/30/509083930.db2.gz KIUNORXQMMDWJE-UHFFFAOYSA-N 0 2 369.305 2.869 20 30 FFEDLN COc1cc(C#N)ccc1S(=O)(=O)Nc1ccc(Br)cn1 ZINC000185612546 509265744 /nfs/dbraw/zinc/26/57/44/509265744.db2.gz PFAWJBQXTXOEEO-UHFFFAOYSA-N 0 2 368.212 2.525 20 30 FFEDLN C[C@H](CC#N)N(C)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000264127841 509343046 /nfs/dbraw/zinc/34/30/46/509343046.db2.gz YGPOZSVUNQLLCA-GFCCVEGCSA-N 0 2 363.464 2.923 20 30 FFEDLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cc(C#N)ccc1C ZINC000188974801 509350252 /nfs/dbraw/zinc/35/02/52/509350252.db2.gz OLCDKJSJYHOVGM-UHFFFAOYSA-N 0 2 364.398 2.832 20 30 FFEDLN N#Cc1ccc(S(=O)(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)cn1 ZINC000176462694 509525701 /nfs/dbraw/zinc/52/57/01/509525701.db2.gz ASQYBBCEHQAVEY-UHFFFAOYSA-N 0 2 365.374 2.890 20 30 FFEDLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(F)c(C#N)c1 ZINC000189674155 509695182 /nfs/dbraw/zinc/69/51/82/509695182.db2.gz CRHPZFALJMTWPW-UHFFFAOYSA-N 0 2 354.384 2.655 20 30 FFEDLN Cc1ccc(C)c(S(=O)(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)c1 ZINC000177077407 509856103 /nfs/dbraw/zinc/85/61/03/509856103.db2.gz CYKDDSCXHLNMRS-UHFFFAOYSA-N 0 2 367.434 2.616 20 30 FFEDLN N#Cc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2-n2ccnn2)c1 ZINC000186955280 509971802 /nfs/dbraw/zinc/97/18/02/509971802.db2.gz LOQGAGYJFLSCFE-UHFFFAOYSA-N 0 2 359.798 2.593 20 30 FFEDLN Cc1nc(NS(=O)(=O)c2ccc(C#N)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000180758393 510095507 /nfs/dbraw/zinc/09/55/07/510095507.db2.gz 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Cc1cc(NS(=O)(=O)c2ccc3nc(C)sc3c2)nn1CCC#N ZINC000427297381 514175566 /nfs/dbraw/zinc/17/55/66/514175566.db2.gz ZMIHCJFEKBSYAN-UHFFFAOYSA-N 0 2 361.452 2.824 20 30 FFEDLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ncc(C#N)cc1Cl ZINC000427903131 514342352 /nfs/dbraw/zinc/34/23/52/514342352.db2.gz QCXAAYLDQSTQJS-UHFFFAOYSA-N 0 2 359.798 2.589 20 30 FFEDLN Cc1cc(S(=O)(=O)Nc2ccn(CCC(F)(F)F)n2)ccc1C#N ZINC000424090457 514376399 /nfs/dbraw/zinc/37/63/99/514376399.db2.gz XSZKVELNTCKZHH-UHFFFAOYSA-N 0 2 358.345 2.816 20 30 FFEDLN CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(C#N)c(SC)[nH]c1=O ZINC000476759367 515185176 /nfs/dbraw/zinc/18/51/76/515185176.db2.gz AZURVSFOSLPFNY-UHFFFAOYSA-N 0 2 371.418 2.772 20 30 FFEDLN Cc1nn2cc(S(=O)(=O)Nc3cc(C#N)ccc3C)cnc2c1Cl ZINC000499156500 515221689 /nfs/dbraw/zinc/22/16/89/515221689.db2.gz IFFAJGKUUIOMTK-UHFFFAOYSA-N 0 2 361.814 2.672 20 30 FFEDLN N#C[C@H](C(=O)c1cnc2ccccn2c1=O)c1cc(C(F)(F)F)ccn1 ZINC000464476941 515840176 /nfs/dbraw/zinc/84/01/76/515840176.db2.gz ZBVNSJADPPQZDU-NSHDSACASA-N 0 2 358.279 2.598 20 30 FFEDLN N#CC(C(=O)c1cnc2ccccn2c1=O)c1cc(C(F)(F)F)ccn1 ZINC000464476941 515840185 /nfs/dbraw/zinc/84/01/85/515840185.db2.gz ZBVNSJADPPQZDU-NSHDSACASA-N 0 2 358.279 2.598 20 30 FFEDLN COc1ccc2[nH]nc(NS(=O)(=O)c3ccc(C#N)c(Cl)c3)c2c1 ZINC000479196442 516103393 /nfs/dbraw/zinc/10/33/93/516103393.db2.gz RDTRQRYEJZGRHD-UHFFFAOYSA-N 0 2 362.798 2.897 20 30 FFEDLN Cc1cc(S(=O)(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)c(C)s1 ZINC000460786920 516249165 /nfs/dbraw/zinc/24/91/65/516249165.db2.gz NNNYSNRYWUHSLZ-UHFFFAOYSA-N 0 2 373.463 2.927 20 30 FFEDLN N#Cc1cc(C(=O)C(C#N)c2nnc3n2CCCCC3)cnc1C(F)(F)F ZINC000496724482 516279787 /nfs/dbraw/zinc/27/97/87/516279787.db2.gz UWADAKAVKLDURY-LBPRGKRZSA-N 0 2 374.326 2.780 20 30 FFEDLN COC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc(-c3ccncc3)cs2)n1C ZINC000497363358 516314606 /nfs/dbraw/zinc/31/46/06/516314606.db2.gz JTKOEVPIZUXXPJ-GFCCVEGCSA-N 0 2 366.402 2.820 20 30 FFEDLN COCc1ccc(S(=O)(=O)Nc2ncccc2OCCCC#N)cc1 ZINC000561062652 516357961 /nfs/dbraw/zinc/35/79/61/516357961.db2.gz RWIGIHXWSANULV-UHFFFAOYSA-N 0 2 361.423 2.711 20 30 FFEDLN COc1ccc(O)c(S(=O)(=O)Nc2cc(C#N)ccc2OC(C)C)c1 ZINC000540496601 516587107 /nfs/dbraw/zinc/58/71/07/516587107.db2.gz CKCWDYNGGIPPOZ-UHFFFAOYSA-N 0 2 362.407 2.860 20 30 FFEDLN Cc1ccc(F)cc1-c1nnc(NS(=O)(=O)c2ccc(C#N)o2)s1 ZINC000558149113 516617138 /nfs/dbraw/zinc/61/71/38/516617138.db2.gz YCLIRPZHXXNMEV-UHFFFAOYSA-N 0 2 364.383 2.918 20 30 FFEDLN CCOC(=O)c1ccc(C(=O)[C@@H](C#N)c2nc3ccccc3n2C)nc1C ZINC000513682054 516717284 /nfs/dbraw/zinc/71/72/84/516717284.db2.gz NXPLUPCIQQKSII-CQSZACIVSA-N 0 2 362.389 2.944 20 30 FFEDLN CCS(=O)(=O)c1ccc(O)c(NC(=O)c2ccc(Cl)c(C#N)c2)c1 ZINC000540848879 516734843 /nfs/dbraw/zinc/73/48/43/516734843.db2.gz IKSGYEVYJJXNFG-UHFFFAOYSA-N 0 2 364.810 2.963 20 30 FFEDLN COCCn1cc(C(=O)[C@H](C#N)c2nc(-c3ccncc3)cs2)c(C)n1 ZINC000541093158 516872758 /nfs/dbraw/zinc/87/27/58/516872758.db2.gz HAPIEYCVPDHYOX-AWEZNQCLSA-N 0 2 367.434 2.847 20 30 FFEDLN COCCn1cc(C(=O)C(C#N)c2nc(-c3ccncc3)cs2)c(C)n1 ZINC000541093158 516872764 /nfs/dbraw/zinc/87/27/64/516872764.db2.gz HAPIEYCVPDHYOX-AWEZNQCLSA-N 0 2 367.434 2.847 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)N(C)Cc2ccccc2N(C)C)cc1C#N ZINC000562214033 516960694 /nfs/dbraw/zinc/96/06/94/516960694.db2.gz RPVHHKUAMDICRJ-UHFFFAOYSA-N 0 2 356.451 2.719 20 30 FFEDLN N#CCC[C@@H](NC(=O)N=c1ncn(Cc2ccccc2)[nH]1)c1ccccc1 ZINC000532679643 517095003 /nfs/dbraw/zinc/09/50/03/517095003.db2.gz JEXZWOYOJQSSEK-GOSISDBHSA-N 0 2 360.421 2.915 20 30 FFEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000542234788 517451921 /nfs/dbraw/zinc/45/19/21/517451921.db2.gz JCWIAQCMKABZQT-UHFFFAOYSA-N 0 2 362.455 2.837 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccc(OC(F)F)nc2)cc1C#N ZINC000549233138 517469447 /nfs/dbraw/zinc/46/94/47/517469447.db2.gz SNYJXVNLSIXWEG-UHFFFAOYSA-N 0 2 352.322 2.629 20 30 FFEDLN CN(C)c1ccc(C#N)c(NS(=O)(=O)CCCOCc2ccccc2)c1 ZINC000522013296 517950711 /nfs/dbraw/zinc/95/07/11/517950711.db2.gz DMWYVSUXXJMQFR-UHFFFAOYSA-N 0 2 373.478 2.973 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)NCc2cnc3ccccc3c2)cc1C#N ZINC000522814230 518166378 /nfs/dbraw/zinc/16/63/78/518166378.db2.gz QUICMTIEPMFHTG-UHFFFAOYSA-N 0 2 350.403 2.859 20 30 FFEDLN CN(C)c1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cncc(C#N)c1 ZINC000569752079 518272559 /nfs/dbraw/zinc/27/25/59/518272559.db2.gz GPSYEWPEYYSXNH-UHFFFAOYSA-N 0 2 370.356 2.839 20 30 FFEDLN COCc1cc(Cl)cc(S(=O)(=O)Nc2cc(CC#N)ccn2)c1 ZINC000567319444 518460949 /nfs/dbraw/zinc/46/09/49/518460949.db2.gz ZRHZTFYLGVTBCN-UHFFFAOYSA-N 0 2 351.815 2.748 20 30 FFEDLN N#Cc1cccc(C(=O)Nc2nc(-c3ccccc3Br)n[nH]2)n1 ZINC000589272600 518969604 /nfs/dbraw/zinc/96/96/04/518969604.db2.gz YCVNOTCCALGTTD-UHFFFAOYSA-N 0 2 369.182 2.753 20 30 FFEDLN C[C@@H](C#N)CNC(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000568348729 518992141 /nfs/dbraw/zinc/99/21/41/518992141.db2.gz QIQAHSIZIAOKSB-QMMMGPOBSA-N 0 2 366.244 2.671 20 30 FFEDLN COc1ccc(C#N)cc1NS(=O)(=O)c1cccnc1C(F)(F)F ZINC000574310632 519092734 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CSc1[nH]c(=O)c(C(=O)N[C@H](c2ccccc2)C(C)(C)CO)cc1C#N ZINC000597578965 520116190 /nfs/dbraw/zinc/11/61/90/520116190.db2.gz KDWZQIYWTIGVHF-OAHLLOKOSA-N 0 2 371.462 2.870 20 30 FFEDLN Cc1nc(SCC(=O)N=c2nc(C3(C)CC3)[nH]s2)c(C#N)c(C)c1C ZINC000600226850 520138877 /nfs/dbraw/zinc/13/88/77/520138877.db2.gz DDRGBHAZHDTNHW-UHFFFAOYSA-N 0 2 373.507 2.934 20 30 FFEDLN Cc1nc(S(=O)(=O)Nc2ccc(Oc3ccc(C#N)cc3)nc2)cn1C ZINC000608908897 520161626 /nfs/dbraw/zinc/16/16/26/520161626.db2.gz ZZFXVPFZTWCMAU-UHFFFAOYSA-N 0 2 369.406 2.588 20 30 FFEDLN C[C@H](Oc1ccc(C(=O)Nc2nc(C#N)c(C#N)[nH]2)cn1)c1ccccc1 ZINC000603873259 520386677 /nfs/dbraw/zinc/38/66/77/520386677.db2.gz DOKNJOCGENGUKJ-LBPRGKRZSA-N 0 2 358.361 2.940 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)N2CCC[C@H]([C@H]3CCCCO3)C2)cc1C#N ZINC000598306962 520550129 /nfs/dbraw/zinc/55/01/29/520550129.db2.gz QERDCLKEBAEKLC-SWLSCSKDSA-N 0 2 361.467 2.802 20 30 FFEDLN Cn1ccc2c1cccc2NS(=O)(=O)c1ccc(C#N)cc1[N+](=O)[O-] ZINC000610156751 520563351 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740276021 /nfs/dbraw/zinc/27/60/21/740276021.db2.gz YGGTZPWADMBLEE-UHFFFAOYSA-N 0 2 365.827 2.655 20 30 FFEDLN N#CC(C(=O)[C@H]1CCCSC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000810527980 741425259 /nfs/dbraw/zinc/42/52/59/741425259.db2.gz NEWCENRTNQNCKE-WCQYABFASA-N 0 2 354.439 2.517 20 30 FFEDLN N#C[C@H](C(=O)[C@H]1CCCSC1)c1nc(N)nc(Nc2ccccc2)n1 ZINC000810527980 741425262 /nfs/dbraw/zinc/42/52/62/741425262.db2.gz NEWCENRTNQNCKE-WCQYABFASA-N 0 2 354.439 2.517 20 30 FFEDLN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000811478800 741527905 /nfs/dbraw/zinc/52/79/05/741527905.db2.gz WDXLXNDYTBEMAN-STQMWFEESA-N 0 2 363.742 2.949 20 30 FFEDLN N#C[C@@H](c1cccc(Cl)c1)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000811478800 741527909 /nfs/dbraw/zinc/52/79/09/741527909.db2.gz WDXLXNDYTBEMAN-STQMWFEESA-N 0 2 363.742 2.949 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccccc2F)N(CCCCF)C1=O ZINC000812220374 741597374 /nfs/dbraw/zinc/59/73/74/741597374.db2.gz IVZLHRBXRWFXKA-ZDUSSCGKSA-N 0 2 355.410 2.643 20 30 FFEDLN 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969023645 /nfs/dbraw/zinc/02/36/45/969023645.db2.gz MBCUAEXCEQKCAZ-RXWSAZGZSA-N 0 2 355.394 2.793 20 30 FFEDLN C=CCC1(O)CCN(C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)CC1 ZINC000899589834 977252349 /nfs/dbraw/zinc/25/23/49/977252349.db2.gz IKSRXFIDDPNNAH-UHFFFAOYSA-N 0 2 359.401 2.569 20 30 FFEDLN CCOC(=O)c1cnn(CCC#N)c1NC(=O)c1cccc(Cl)c1O ZINC001126995670 980405506 /nfs/dbraw/zinc/40/55/06/980405506.db2.gz LPTNCKBOFPJHFK-UHFFFAOYSA-N 0 2 362.773 2.585 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1C#N ZINC000914861189 987986626 /nfs/dbraw/zinc/98/66/26/987986626.db2.gz XUYHFANGVNTYAR-UHFFFAOYSA-N 0 2 370.390 2.590 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccc3ccccc3c2)N(CCOC)C1=O ZINC000917702473 990264067 /nfs/dbraw/zinc/26/40/67/990264067.db2.gz VRHTYURIKDHEBA-INIZCTEOSA-N 0 2 371.462 2.554 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc3ccccc3c2)N(CCOC)C1=O ZINC000917702473 990264072 /nfs/dbraw/zinc/26/40/72/990264072.db2.gz VRHTYURIKDHEBA-INIZCTEOSA-N 0 2 371.462 2.554 20 30 FFEDLN C[C@@H]([NH2+]CC(=O)Nc1cc(Cl)ccc1C#N)c1ncc(C(=O)[O-])s1 ZINC001593238256 994418520 /nfs/dbraw/zinc/41/85/20/994418520.db2.gz ZGUIRELDWDBHTD-MRVPVSSYSA-N 0 2 364.814 2.656 20 30 FFEDLN CCc1noc2ncc(C(=O)[C@@H](C#N)c3nnc4n3CCCCC4)cc12 ZINC000171266724 996161785 /nfs/dbraw/zinc/16/17/85/996161785.db2.gz URXDBSMIMJTCEI-CYBMUJFWSA-N 0 2 350.382 2.593 20 30 FFEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2C)N(Cc2cocn2)C1=O ZINC000730711994 997423778 /nfs/dbraw/zinc/42/37/78/997423778.db2.gz CDANUWFPUAJUBQ-OAHLLOKOSA-N 0 2 372.450 2.559 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N(Cc2cocn2)C1=O ZINC000730711994 997423790 /nfs/dbraw/zinc/42/37/90/997423790.db2.gz CDANUWFPUAJUBQ-OAHLLOKOSA-N 0 2 372.450 2.559 20 30 FFEDLN Cc1nnnn1[C@H](Cc1ccccc1)C(=O)[C@@H](C#N)c1nc2ccccc2o1 ZINC000735768952 999486545 /nfs/dbraw/zinc/48/65/45/999486545.db2.gz DIBGHCIFBOOFCM-NVXWUHKLSA-N 0 2 372.388 2.783 20 30 FFEDLN C#CCCN(CC(F)(F)F)C(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000768617441 1000307551 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AHDOASKAJNOSKF-UHFFFAOYSA-N 0 2 364.398 2.832 20 30 FFEDLN N#Cc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)o1 ZINC000566877790 518243681 /nfs/dbraw/zinc/24/36/81/518243681.db2.gz BGGYQOODPWJTLO-UHFFFAOYSA-N 0 2 364.383 2.533 20 30 FFEDLN COc1ccc(NS(=O)(=O)c2cnc(C)c(C#N)c2)c2ncccc12 ZINC000581920583 518501685 /nfs/dbraw/zinc/50/16/85/518501685.db2.gz VEBWGFIVWUEPFA-UHFFFAOYSA-N 0 2 354.391 2.619 20 30 FFEDLN CC[C@@H](C)c1ccccc1N1C[C@@H](C(=O)N=c2[nH][nH]c(C)c2C#N)CC1=O ZINC000588714707 518814325 /nfs/dbraw/zinc/81/43/25/518814325.db2.gz RGAHKDQECHEGRC-OCCSQVGLSA-N 0 2 365.437 2.517 20 30 FFEDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCCc2cccc(C#N)c2)=N1 ZINC000579741459 518830680 /nfs/dbraw/zinc/83/06/80/518830680.db2.gz OWRXUMDUPGBEMF-UHFFFAOYSA-N 0 2 364.380 2.870 20 30 FFEDLN N#Cc1cncc(S(=O)(=O)Nc2nc3c(cc(F)c(F)c3F)s2)c1 ZINC000589585745 519034482 /nfs/dbraw/zinc/03/44/82/519034482.db2.gz JOTLNZLGOSVMQW-UHFFFAOYSA-N 0 2 370.337 2.781 20 30 FFEDLN N#Cc1cncc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 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Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCc1ccccc1Br ZINC000123279869 728656954 /nfs/dbraw/zinc/65/69/54/728656954.db2.gz MQZJGKYIVBVKKY-LBPRGKRZSA-N 0 2 360.211 2.707 20 30 FFEDLN CC(C)c1csc(C(C#N)C(=O)Cc2csc(-c3nc[nH]n3)n2)n1 ZINC000747196697 735542750 /nfs/dbraw/zinc/54/27/50/735542750.db2.gz ASOCEAFRZRQHPI-JTQLQIEISA-N 0 2 358.452 2.927 20 30 FFEDLN C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(F)nc3)cc2[nH]c1=S ZINC000135085353 728735651 /nfs/dbraw/zinc/73/56/51/728735651.db2.gz LQCSEMNDLJQOMM-UHFFFAOYSA-N 0 2 356.382 2.658 20 30 FFEDLN COc1ccc(-c2csc([C@@H](C#N)C(=O)C[C@H]3COC(=O)C3)n2)cc1 ZINC000151656394 728746320 /nfs/dbraw/zinc/74/63/20/728746320.db2.gz FWUBKHIGUORWHF-RISCZKNCSA-N 0 2 356.403 2.948 20 30 FFEDLN N#C[C@@H](C(=O)CCC(F)(F)F)c1nc(N)nc(Nc2ccccc2)n1 ZINC000173946578 729058616 /nfs/dbraw/zinc/05/86/16/729058616.db2.gz PNYXXGDXYGBJJK-JTQLQIEISA-N 0 2 350.304 2.716 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccc(F)cc2F)N(CC2CCC2)C1=O ZINC000255471500 729640591 /nfs/dbraw/zinc/64/05/91/729640591.db2.gz QNKCTRDPQXEPQG-CQSZACIVSA-N 0 2 367.421 2.833 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(F)cc2F)N(CC2CCC2)C1=O ZINC000255471500 729640594 /nfs/dbraw/zinc/64/05/94/729640594.db2.gz QNKCTRDPQXEPQG-CQSZACIVSA-N 0 2 367.421 2.833 20 30 FFEDLN N#Cc1cncc(S(=O)(=O)Nc2cnc(Cl)c(Br)c2)c1 ZINC000312962988 729743969 /nfs/dbraw/zinc/74/39/69/729743969.db2.gz UFYAKYXXNCGATQ-UHFFFAOYSA-N 0 2 373.619 2.565 20 30 FFEDLN N#Cc1cc(F)c(S(=O)(=O)NCC[C@@H]2CC2(Cl)Cl)c(F)c1 ZINC000856750335 730354611 /nfs/dbraw/zinc/35/46/11/730354611.db2.gz ACFJBPSIUCKRTC-MRVPVSSYSA-N 0 2 355.193 2.699 20 30 FFEDLN CCOC(=O)c1csc(C(C#N)C(=O)C[C@H]2Cc3ccccc3O2)n1 ZINC000870175006 731479468 /nfs/dbraw/zinc/47/94/68/731479468.db2.gz LDQZMRQLSZWMKX-CHWSQXEVSA-N 0 2 356.403 2.890 20 30 FFEDLN C[C@]1(NC(=O)C(F)(F)F)CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)C1 ZINC000877981535 732461887 /nfs/dbraw/zinc/46/18/87/732461887.db2.gz XSRSCPDECHHQBJ-AWEZNQCLSA-N 0 2 374.750 2.886 20 30 FFEDLN C=CCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)OC)cs2)cc1 ZINC000886394041 733781727 /nfs/dbraw/zinc/78/17/27/733781727.db2.gz NUONZSQWGKSPCQ-UHFFFAOYSA-N 0 2 366.464 2.778 20 30 FFEDLN CCCOc1ccccc1NC(=O)CC1S/C(=N/CC(F)F)NC1=O ZINC000887268773 733902854 /nfs/dbraw/zinc/90/28/54/733902854.db2.gz URTXDFXDIUAIOP-LBPRGKRZSA-N 0 2 371.409 2.657 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccc(C)cc2)N(CCCCC#N)C1=O ZINC000728776732 734543241 /nfs/dbraw/zinc/54/32/41/734543241.db2.gz DSMHMYYSUMKDSK-HNNXBMFYSA-N 0 2 358.467 2.757 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(C)cc2)N(CCCCC#N)C1=O ZINC000728776732 734543246 /nfs/dbraw/zinc/54/32/46/734543246.db2.gz DSMHMYYSUMKDSK-HNNXBMFYSA-N 0 2 358.467 2.757 20 30 FFEDLN C=C1CC(c2noc(-c3cc(S(=O)(=O)N4CCCC4)ccc3O)n2)C1 ZINC000896881141 735186727 /nfs/dbraw/zinc/18/67/27/735186727.db2.gz AQCRQJULYVNFDX-UHFFFAOYSA-N 0 2 361.423 2.660 20 30 FFEDLN CC(=NNc1ccc(S(=O)(=O)Nc2nncs2)cc1)c1ccncc1 ZINC000751135246 735848590 /nfs/dbraw/zinc/84/85/90/735848590.db2.gz WASQJTBWJRHUTK-UHFFFAOYSA-N 0 2 374.451 2.570 20 30 FFEDLN N#Cc1ccc(NS(=O)(=O)c2cnn(CC(F)F)c2)c(C2CC2)c1 ZINC000901966154 735881395 /nfs/dbraw/zinc/88/13/95/735881395.db2.gz NHJIIBORCVYDMF-UHFFFAOYSA-N 0 2 352.366 2.698 20 30 FFEDLN CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cc(Br)c(F)cc1[O-] ZINC000753932998 736107584 /nfs/dbraw/zinc/10/75/84/736107584.db2.gz ALFXUKYPEMDKHV-CHWSQXEVSA-N 0 2 369.238 2.878 20 30 FFEDLN CC(=NNC1=N[C@@H]2CCCC[C@H]2N1)c1cc(Br)c(F)cc1O ZINC000753932998 736107585 /nfs/dbraw/zinc/10/75/85/736107585.db2.gz ALFXUKYPEMDKHV-CHWSQXEVSA-N 0 2 369.238 2.878 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccccc2C)N(C/C=C/Cl)C1=O ZINC000906509973 736511803 /nfs/dbraw/zinc/51/18/03/736511803.db2.gz GKTLCQCCRNOZLL-DVWIXOBFSA-N 0 2 351.859 2.815 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2C)N(C/C=C/Cl)C1=O ZINC000906509973 736511808 /nfs/dbraw/zinc/51/18/08/736511808.db2.gz GKTLCQCCRNOZLL-DVWIXOBFSA-N 0 2 351.859 2.815 20 30 FFEDLN C#CCSc1ccc(COC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1 ZINC000759337659 736563499 /nfs/dbraw/zinc/56/34/99/736563499.db2.gz HJZBMZYMWABHOE-UHFFFAOYSA-N 0 2 359.369 2.912 20 30 FFEDLN C[C@@H](C#N)Oc1ccccc1NS(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000761977605 736778541 /nfs/dbraw/zinc/77/85/41/736778541.db2.gz UDLMZEPWWUGKJN-VIFPVBQESA-N 0 2 355.778 2.966 20 30 FFEDLN CCCCCCC[C@@]1(C)NC(=O)N(NC(=O)c2cnc(NC)s2)C1=O ZINC000763388509 736934565 /nfs/dbraw/zinc/93/45/65/736934565.db2.gz DMFXSANSYNSDPM-MRXNPFEDSA-N 0 2 367.475 2.501 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2)N(CCc2ccco2)C1=O ZINC000763455065 736938714 /nfs/dbraw/zinc/93/87/14/736938714.db2.gz NAXPQQUYWBPMFT-OAHLLOKOSA-N 0 2 357.435 2.590 20 30 FFEDLN N#C[C@H](C(=O)c1cn(-c2ccccc2Br)nn1)c1ccccn1 ZINC000915097577 737607524 /nfs/dbraw/zinc/60/75/24/737607524.db2.gz SPFSPMYXGKXEPI-NSHDSACASA-N 0 2 368.194 2.915 20 30 FFEDLN N#CC(C(=O)c1cn(-c2ccccc2Br)nn1)c1ccccn1 ZINC000915097577 737607526 /nfs/dbraw/zinc/60/75/26/737607526.db2.gz SPFSPMYXGKXEPI-NSHDSACASA-N 0 2 368.194 2.915 20 30 FFEDLN C=CCC[C@H](C)OC(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000772780223 737842471 /nfs/dbraw/zinc/84/24/71/737842471.db2.gz HOLDVYYZWQVYIA-NSHDSACASA-N 0 2 369.468 2.794 20 30 FFEDLN C#C[C@@H](NC(=O)c1cc(Cl)cc(Br)c1O)[C@@H]1CCCO1 ZINC000776270520 738176319 /nfs/dbraw/zinc/17/63/19/738176319.db2.gz UPGMZRCPNWMDNZ-NEPJUHHUSA-N 0 2 358.619 2.719 20 30 FFEDLN CNC(=O)CC1SC(=Nc2cccc(Cl)c2)N([C@@H]2C[C@H]2C)C1=O ZINC000790011828 739406059 /nfs/dbraw/zinc/40/60/59/739406059.db2.gz HGQBFZCKEFVQGT-WQAKAFBOSA-N 0 2 351.859 2.816 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2cccc(Cl)c2)N([C@@H]2C[C@H]2C)C1=O ZINC000790011828 739406063 /nfs/dbraw/zinc/40/60/63/739406063.db2.gz HGQBFZCKEFVQGT-WQAKAFBOSA-N 0 2 351.859 2.816 20 30 FFEDLN CNC(=O)CC1SC(=Nc2cccc(Cl)c2)N([C@@H]2C[C@H]2C)C1=O ZINC000790011826 739406145 /nfs/dbraw/zinc/40/61/45/739406145.db2.gz HGQBFZCKEFVQGT-OASPWFOLSA-N 0 2 351.859 2.816 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2cccc(Cl)c2)N([C@@H]2C[C@H]2C)C1=O ZINC000790011826 739406149 /nfs/dbraw/zinc/40/61/49/739406149.db2.gz HGQBFZCKEFVQGT-OASPWFOLSA-N 0 2 351.859 2.816 20 30 FFEDLN CNC(=O)C[C@@H]1S/C(=N/[C@H](C)c2cccs2)N([C@@H]2C[C@H]2C)C1=O ZINC000790022743 739407982 /nfs/dbraw/zinc/40/79/82/739407982.db2.gz YUVPORAKGGQLHQ-SQSQFBIQSA-N 0 2 351.497 2.654 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccsc2)N(CCc2ccco2)C1=O ZINC000790729684 739488745 /nfs/dbraw/zinc/48/87/45/739488745.db2.gz XZMZYNBFBCYYQR-ZDUSSCGKSA-N 0 2 363.464 2.651 20 30 FFEDLN Cc1[nH+]c2ccc(Cl)cn2c1[N-]S(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000794033039 739843772 /nfs/dbraw/zinc/84/37/72/739843772.db2.gz KEACNROTJQXDDT-UHFFFAOYSA-N 0 2 361.814 2.672 20 30 FFEDLN Cc1nc2ccc(Cl)cn2c1NS(=O)(=O)c1cnc(C)c(C#N)c1 ZINC000794033039 739843774 /nfs/dbraw/zinc/84/37/74/739843774.db2.gz KEACNROTJQXDDT-UHFFFAOYSA-N 0 2 361.814 2.672 20 30 FFEDLN C[C@@H]1COC(=O)C1N=Nc1cc(C(F)(F)F)nc(-c2ccccn2)n1 ZINC000794913462 739941632 /nfs/dbraw/zinc/94/16/32/739941632.db2.gz UUDVHKQGJMFJFT-MRVPVSSYSA-N 0 2 351.288 2.518 20 30 FFEDLN N#CC(C(=O)CCn1cnccc1=O)c1nc2cc(Cl)ccc2s1 ZINC000796757535 740179923 /nfs/dbraw/zinc/17/99/23/740179923.db2.gz ZTNAJCYBWOQRGR-NSHDSACASA-N 0 2 358.810 2.773 20 30 FFEDLN N#C[C@@H](C(=O)CCn1cnccc1=O)c1nc2cc(Cl)ccc2s1 ZINC000796757535 740179925 /nfs/dbraw/zinc/17/99/25/740179925.db2.gz ZTNAJCYBWOQRGR-NSHDSACASA-N 0 2 358.810 2.773 20 30 FFEDLN C=CCn1c(=O)c2ccc(C(=O)NCCC3(F)CCC3)cc2[nH]c1=S ZINC000807801758 741160222 /nfs/dbraw/zinc/16/02/22/741160222.db2.gz ZNOUNCHYBIEEST-UHFFFAOYSA-N 0 2 361.442 2.883 20 30 FFEDLN O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)C(F)C(F)(F)F ZINC000810624784 741433674 /nfs/dbraw/zinc/43/36/74/741433674.db2.gz KSVUZHJMQLJDNT-KWQFWETISA-N 0 2 361.257 2.873 20 30 FFEDLN O=C(NC[C@@H](CO)Cc1ccccc1C(F)(F)F)[C@H](F)C(F)(F)F ZINC000810624784 741433676 /nfs/dbraw/zinc/43/36/76/741433676.db2.gz KSVUZHJMQLJDNT-KWQFWETISA-N 0 2 361.257 2.873 20 30 FFEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2F)N(CC(C)(F)F)C1=O ZINC000814710239 741858817 /nfs/dbraw/zinc/85/88/17/741858817.db2.gz LPHIXGRUHPTLAT-GFCCVEGCSA-N 0 2 373.400 2.857 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2F)N(CC(C)(F)F)C1=O ZINC000814710239 741858822 /nfs/dbraw/zinc/85/88/22/741858822.db2.gz LPHIXGRUHPTLAT-GFCCVEGCSA-N 0 2 373.400 2.857 20 30 FFEDLN CNC(=O)CC1SC(=Nc2cc(C)ccc2C)N([C@@H]2CC23CC3)C1=O ZINC000819827410 742435709 /nfs/dbraw/zinc/43/57/09/742435709.db2.gz USTGXRPTWIYBFB-HUUCEWRRSA-N 0 2 357.479 2.924 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2cc(C)ccc2C)N([C@@H]2CC23CC3)C1=O ZINC000819827410 742435711 /nfs/dbraw/zinc/43/57/11/742435711.db2.gz USTGXRPTWIYBFB-HUUCEWRRSA-N 0 2 357.479 2.924 20 30 FFEDLN C=CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1=S ZINC000825705473 743315159 /nfs/dbraw/zinc/31/51/59/743315159.db2.gz JKWFROOKBYNORB-AWEZNQCLSA-N 0 2 359.455 2.559 20 30 FFEDLN C=CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@H]2CC(=O)[O-])c1=S ZINC000825705473 743315171 /nfs/dbraw/zinc/31/51/71/743315171.db2.gz JKWFROOKBYNORB-AWEZNQCLSA-N 0 2 359.455 2.559 20 30 FFEDLN Cc1nc(NC[C@@H]2CN(C(=O)C(F)C(F)(F)F)C[C@H]2C)ccc1C#N ZINC001054675449 745027962 /nfs/dbraw/zinc/02/79/62/745027962.db2.gz DRHYYMODLYYYML-IUPBHXKESA-N 0 2 358.339 2.669 20 30 FFEDLN Cc1nc(NC[C@@H]2CN(C(=O)[C@H](F)C(F)(F)F)C[C@H]2C)ccc1C#N ZINC001054675449 745027970 /nfs/dbraw/zinc/02/79/70/745027970.db2.gz DRHYYMODLYYYML-IUPBHXKESA-N 0 2 358.339 2.669 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccc(OC)cc2)N([C@H](C)C2CC2)C1=O ZINC000839215624 746801946 /nfs/dbraw/zinc/80/19/46/746801946.db2.gz PFRXBDZOJJIHJE-ABAIWWIYSA-N 0 2 361.467 2.561 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccc(OC)cc2)N([C@H](C)C2CC2)C1=O ZINC000839215624 746801954 /nfs/dbraw/zinc/80/19/54/746801954.db2.gz PFRXBDZOJJIHJE-ABAIWWIYSA-N 0 2 361.467 2.561 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccc(OC)cc2)N([C@H](C)C2CC2)C1=O ZINC000839215625 746802122 /nfs/dbraw/zinc/80/21/22/746802122.db2.gz PFRXBDZOJJIHJE-IAQYHMDHSA-N 0 2 361.467 2.561 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2ccc(OC)cc2)N([C@H](C)C2CC2)C1=O ZINC000839215625 746802129 /nfs/dbraw/zinc/80/21/29/746802129.db2.gz PFRXBDZOJJIHJE-IAQYHMDHSA-N 0 2 361.467 2.561 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccccc2)N([C@@H]2CS[C@@H](C)C2)C1=O ZINC000840910902 747221721 /nfs/dbraw/zinc/22/17/21/747221721.db2.gz XAAHGRKTGRRDIN-UBHSHLNASA-N 0 2 363.508 2.648 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2)N([C@@H]2CS[C@@H](C)C2)C1=O ZINC000840910902 747221725 /nfs/dbraw/zinc/22/17/25/747221725.db2.gz XAAHGRKTGRRDIN-UBHSHLNASA-N 0 2 363.508 2.648 20 30 FFEDLN C[C@@H](CO)N(C)N=Cc1cc(Br)c(O)c(Br)c1 ZINC000842545463 747627685 /nfs/dbraw/zinc/62/76/85/747627685.db2.gz ULGNPRBQRWRCFE-ZETCQYMHSA-N 0 2 366.053 2.564 20 30 FFEDLN N#C[C@H](C(=O)[C@@H]1CCOc2ccc(Br)cc21)c1ccncn1 ZINC000845514984 748273895 /nfs/dbraw/zinc/27/38/95/748273895.db2.gz ZAWUIAVICJKEKI-YPMHNXCESA-N 0 2 358.195 2.982 20 30 FFEDLN Cc1csc(C(C#N)C(=O)CSc2nnc(N3CCCC3)s2)n1 ZINC000052912725 845265312 /nfs/dbraw/zinc/26/53/12/845265312.db2.gz YAFYWWCXQFKFMZ-SNVBAGLBSA-N 0 2 365.509 2.872 20 30 FFEDLN CN(C)C(=O)COc1cccc(C(=O)/C=C/c2ccc([N+](=O)[O-])c(O)c2)c1 ZINC000748145884 962264448 /nfs/dbraw/zinc/26/44/48/962264448.db2.gz CETLOXXOHCEFSW-VQHVLOKHSA-N 0 2 370.361 2.664 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccccc2)N([C@@H](C)c2cccnc2)C1=O ZINC000255215329 962965823 /nfs/dbraw/zinc/96/58/23/962965823.db2.gz LXNLKMSEHULQCF-XJKSGUPXSA-N 0 2 368.462 2.910 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](C)c2cccnc2)C1=O ZINC000255215329 962965837 /nfs/dbraw/zinc/96/58/37/962965837.db2.gz LXNLKMSEHULQCF-XJKSGUPXSA-N 0 2 368.462 2.910 20 30 FFEDLN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@H+](CC(=O)[O-])C2CCC2)c1C#N ZINC001605074124 972700289 /nfs/dbraw/zinc/70/02/89/972700289.db2.gz KMKJKSIURGLMQV-UHFFFAOYSA-N 0 2 372.469 2.969 20 30 FFEDLN Cc1c(C)n(C2CCCC2)c(NC(=O)C[N@@H+](CC(=O)[O-])C2CCC2)c1C#N ZINC001605074124 972700300 /nfs/dbraw/zinc/70/03/00/972700300.db2.gz KMKJKSIURGLMQV-UHFFFAOYSA-N 0 2 372.469 2.969 20 30 FFEDLN C[C@@H]1CCN(C(=O)Nc2cc(C#N)ccc2F)C[C@@H]1NC(=O)C(F)(F)F ZINC000888373398 985549325 /nfs/dbraw/zinc/54/93/25/985549325.db2.gz GMYYXHGGTSAKLK-RNCFNFMXSA-N 0 2 372.322 2.618 20 30 FFEDLN N#CCCCN1C[C@]2(CC1=O)CCCCN2C(=O)Cc1ccc(S)cc1 ZINC001272549822 987259684 /nfs/dbraw/zinc/25/96/84/987259684.db2.gz WASRVWQRRVFODU-HXUWFJFHSA-N 0 2 371.506 2.805 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccccc2)N([C@@H](C)Cc2ccco2)C1=O ZINC000914691733 987858301 /nfs/dbraw/zinc/85/83/01/987858301.db2.gz REONFWJFRLKGMP-XJKSGUPXSA-N 0 2 371.462 2.978 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2ccccc2)N([C@@H](C)Cc2ccco2)C1=O ZINC000914691733 987858304 /nfs/dbraw/zinc/85/83/04/987858304.db2.gz REONFWJFRLKGMP-XJKSGUPXSA-N 0 2 371.462 2.978 20 30 FFEDLN CCn1cncc1/C=C1/CC(C(=O)[O-])C/C(=C/c2c[nH+]cn2CC)C1=O ZINC001597922821 989857143 /nfs/dbraw/zinc/85/71/43/989857143.db2.gz NLZSGOXXNDLWTR-PVRNWPCDSA-N 0 2 354.410 2.650 20 30 FFEDLN C[C@@]1(C#N)CCN(C(=O)Nc2cc(F)cc(CNC(=O)C(F)(F)F)c2)C1 ZINC000880439222 1015836244 /nfs/dbraw/zinc/83/62/44/1015836244.db2.gz QJOCREMNNVUPMT-HNNXBMFYSA-N 0 2 372.322 2.772 20 30 FFEDLN CNC(=O)CC1SC(=Nc2cc(C)cc(C)c2)N(Cc2cocn2)C1=O ZINC000730715614 997427313 /nfs/dbraw/zinc/42/73/13/997427313.db2.gz OGKBLZIKVGXHNV-OAHLLOKOSA-N 0 2 372.450 2.559 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2cc(C)cc(C)c2)N(Cc2cocn2)C1=O ZINC000730715614 997427355 /nfs/dbraw/zinc/42/73/55/997427355.db2.gz OGKBLZIKVGXHNV-OAHLLOKOSA-N 0 2 372.450 2.559 20 30 FFEDLN Cc1cccc(CNC(=O)C(C#N)=C([O-])c2c[nH+]c3n2[C@@H](C)CCC3)c1 ZINC000845526469 998577227 /nfs/dbraw/zinc/57/72/27/998577227.db2.gz IZODRBFKMJJFIH-GOEBONIOSA-N 0 2 350.422 2.728 20 30 FFEDLN C[C@@H]1CCCc2[nH+]cc(C([O-])=C(C#N)C(=O)NCc3ccc(F)c(F)c3)n21 ZINC000845527063 998577365 /nfs/dbraw/zinc/57/73/65/998577365.db2.gz MUZKXLKRFJYTRV-YPMHNXCESA-N 0 2 372.375 2.697 20 30 FFEDLN C=CCn1c(=O)c2ccc(C(=O)N3C[C@@H](CC)OC[C@H]3C)cc2[nH]c1=S ZINC000846434800 1000292102 /nfs/dbraw/zinc/29/21/02/1000292102.db2.gz SHCLMOOIOAQMFE-TZMCWYRMSA-N 0 2 373.478 2.511 20 30 FFEDLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)NCCc2ccc(C#N)cc2)=N1 ZINC001147172665 1000852067 /nfs/dbraw/zinc/85/20/67/1000852067.db2.gz VUXMSQRTDPHOHZ-UHFFFAOYSA-N 0 2 364.380 2.870 20 30 FFEDLN C[C@@]12CN(CC(F)(F)C(F)F)C[C@@H]1CN(C(=O)C(F)C(F)(F)F)C2 ZINC001091689724 1001085116 /nfs/dbraw/zinc/08/51/16/1001085116.db2.gz CIGONELNSOXXJZ-FYBVGQRMSA-N 0 2 368.268 2.568 20 30 FFEDLN C[C@@]12CN(CC(F)(F)C(F)F)C[C@@H]1CN(C(=O)[C@H](F)C(F)(F)F)C2 ZINC001091689724 1001085120 /nfs/dbraw/zinc/08/51/20/1001085120.db2.gz CIGONELNSOXXJZ-FYBVGQRMSA-N 0 2 368.268 2.568 20 30 FFEDLN C[C@@H]1[C@@H](NC(=O)C(F)C(F)(F)F)CCN1c1nc(Cl)c(C#N)s1 ZINC001092057983 1002340675 /nfs/dbraw/zinc/34/06/75/1002340675.db2.gz SZBNYEXIYJVNLQ-CHKWXVPMSA-N 0 2 370.759 2.652 20 30 FFEDLN C[C@@H]1[C@@H](NC(=O)[C@H](F)C(F)(F)F)CCN1c1nc(Cl)c(C#N)s1 ZINC001092057983 1002340685 /nfs/dbraw/zinc/34/06/85/1002340685.db2.gz SZBNYEXIYJVNLQ-CHKWXVPMSA-N 0 2 370.759 2.652 20 30 FFEDLN COC(=O)c1cccc(C)c1S(=O)(=O)Nc1ccc(C(C)(C)C#N)nc1 ZINC001196999781 1004037445 /nfs/dbraw/zinc/03/74/45/1004037445.db2.gz FIDFZCXDDMEMJJ-UHFFFAOYSA-N 0 2 373.434 2.779 20 30 FFEDLN Cc1ncc(NS(=O)(=O)c2ccc(Br)c(C#N)c2)s1 ZINC001197282137 1004163108 /nfs/dbraw/zinc/16/31/08/1004163108.db2.gz SIEOUYQCNZTEID-UHFFFAOYSA-N 0 2 358.242 2.887 20 30 FFEDLN CCCCCCCC(=O)c1ccc(O)c(C(=O)NC[C@@H]2CNC(=O)O2)c1 ZINC001197375078 1004201878 /nfs/dbraw/zinc/20/18/78/1004201878.db2.gz HPURBOAHMZELPT-CQSZACIVSA-N 0 2 362.426 2.774 20 30 FFEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccnn2-c2ccccc2)c1 ZINC001193644633 1004534772 /nfs/dbraw/zinc/53/47/72/1004534772.db2.gz MJTDBNHTISWIFD-UHFFFAOYSA-N 0 2 354.391 2.553 20 30 FFEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2cnc3cccc(O)c3c2)c1 ZINC001193653105 1004540089 /nfs/dbraw/zinc/54/00/89/1004540089.db2.gz CGRUYMHXQSPVCJ-UHFFFAOYSA-N 0 2 355.375 2.621 20 30 FFEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(OCC3CC3)nc2)c1 ZINC001193654304 1004540422 /nfs/dbraw/zinc/54/04/22/1004540422.db2.gz XMUFAQFIOVYTHI-UHFFFAOYSA-N 0 2 359.407 2.551 20 30 FFEDLN COc1ccc(C#N)c(S(=O)(=O)Nc2c(C)c(OC)ccc2C(C)=O)c1 ZINC001193680290 1004547971 /nfs/dbraw/zinc/54/79/71/1004547971.db2.gz GTFHUVQCLMCZPH-UHFFFAOYSA-N 0 2 374.418 2.887 20 30 FFEDLN C#Cc1cccc(N=C2SC(CC(=O)NC)C(=O)N2C2CC(C)(C)C2)c1 ZINC000853240284 1006346928 /nfs/dbraw/zinc/34/69/28/1006346928.db2.gz OOHMYAQCBFJWNR-INIZCTEOSA-N 0 2 369.490 2.924 20 30 FFEDLN C#Cc1cccc(N=C2S[C@@H](CC(=O)NC)C(=O)N2C2CC(C)(C)C2)c1 ZINC000853240284 1006346942 /nfs/dbraw/zinc/34/69/42/1006346942.db2.gz OOHMYAQCBFJWNR-INIZCTEOSA-N 0 2 369.490 2.924 20 30 FFEDLN N#Cc1ccc(NS(=O)(=O)c2cnc(Cl)c(C(F)(F)F)c2)cn1 ZINC001188210660 1006468371 /nfs/dbraw/zinc/46/83/71/1006468371.db2.gz AYGWCZHPVRSHPE-UHFFFAOYSA-N 0 2 362.720 2.821 20 30 FFEDLN N#CCc1ccc(S(=O)(=O)Nc2cnc(-c3cccc(O)c3)nc2)cc1 ZINC001116189608 1032180451 /nfs/dbraw/zinc/18/04/51/1032180451.db2.gz RSZHCYVTJYJHKV-UHFFFAOYSA-N 0 2 366.402 2.716 20 30 FFEDLN O=C(Nc1ccc2c(c1)CN(C(=O)C(F)C(F)(F)F)C2)C(F)(F)F ZINC000855310724 1007270250 /nfs/dbraw/zinc/27/02/50/1007270250.db2.gz BTVGEFAMEMSKCK-VIFPVBQESA-N 0 2 358.213 2.930 20 30 FFEDLN O=C(Nc1ccc2c(c1)CN(C(=O)[C@H](F)C(F)(F)F)C2)C(F)(F)F ZINC000855310724 1007270257 /nfs/dbraw/zinc/27/02/57/1007270257.db2.gz BTVGEFAMEMSKCK-VIFPVBQESA-N 0 2 358.213 2.930 20 30 FFEDLN CO[C@@H](Cc1ccccc1)CS(=O)(=O)Nc1ccccc1O[C@H](C)C#N ZINC000817356797 1007552039 /nfs/dbraw/zinc/55/20/39/1007552039.db2.gz UOKZMAQUHJUBBV-WBVHZDCISA-N 0 2 374.462 2.977 20 30 FFEDLN Cn1nc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C#N)ccc1F ZINC001190616566 1007703152 /nfs/dbraw/zinc/70/31/52/1007703152.db2.gz XQNCVCRDHOXRHO-UHFFFAOYSA-N 0 2 356.382 2.899 20 30 FFEDLN N#Cc1ccc(F)c(S(=O)(=O)Nc2cccc(Cn3cccn3)c2)c1 ZINC001190648154 1007733508 /nfs/dbraw/zinc/73/35/08/1007733508.db2.gz UVAZDXSDJSHAPK-UHFFFAOYSA-N 0 2 356.382 2.743 20 30 FFEDLN C[C@@](C#N)(CC(=O)[O-])C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000819848155 1008239459 /nfs/dbraw/zinc/23/94/59/1008239459.db2.gz QXRQJRVVNYKZNK-IBGZPJMESA-N 0 2 352.394 2.829 20 30 FFEDLN CO/N=C(\C(=O)Nc1ccc(F)c(Br)c1O)c1ccco1 ZINC001177352239 1008589785 /nfs/dbraw/zinc/58/97/85/1008589785.db2.gz MGQKSTLTANVEAM-BOPFTXTBSA-N 0 2 357.135 2.876 20 30 FFEDLN COCCCNC(=O)C(C#N)=C(O)c1cccn1[C@H](C)Cc1ccccc1 ZINC000773763388 1009079642 /nfs/dbraw/zinc/07/96/42/1009079642.db2.gz LMRVTUUMAMCCHC-AEFFLSMTSA-N 0 2 367.449 2.767 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccccc2OC)N(CC2CC=CC2)C1=O ZINC000863048186 1010097250 /nfs/dbraw/zinc/09/72/50/1010097250.db2.gz ACKQISJWKSXCQS-INIZCTEOSA-N 0 2 373.478 2.729 20 30 FFEDLN CNC(=O)C[C@@H]1SC(=Nc2ccccc2OC)N(CC2CC=CC2)C1=O ZINC000863048186 1010097264 /nfs/dbraw/zinc/09/72/64/1010097264.db2.gz ACKQISJWKSXCQS-INIZCTEOSA-N 0 2 373.478 2.729 20 30 FFEDLN C=C(C)CN1CCC2(CCN(C(=O)c3cc(F)c(O)c(F)c3)CC2)C1=O ZINC001274486713 1011471513 /nfs/dbraw/zinc/47/15/13/1011471513.db2.gz ZCRBCJHXYGPXLN-UHFFFAOYSA-N 0 2 364.392 2.701 20 30 FFEDLN C=C(C)CNC(=O)[C@H]1CC12CCN(C(=O)c1ccc(F)c(F)c1O)CC2 ZINC001274883750 1011727890 /nfs/dbraw/zinc/72/78/90/1011727890.db2.gz VAFORNCUOUWFED-CYBMUJFWSA-N 0 2 364.392 2.605 20 30 FFEDLN COc1ccc2c(CC(=O)C(C#N)=C([O-])c3[nH+]ccn3C)coc2c1C ZINC000870244296 1012283323 /nfs/dbraw/zinc/28/33/23/1012283323.db2.gz XBYCFLCGAMIYIN-CQSZACIVSA-N 0 2 351.362 2.618 20 30 FFEDLN COc1ccnc(-c2noc(-c3cc(=O)c4cc(C#N)ccc4[nH]3)n2)c1F ZINC001217502848 1032759590 /nfs/dbraw/zinc/75/95/90/1032759590.db2.gz WXCRIFUTJYFFLF-UHFFFAOYSA-N 0 2 363.308 2.659 20 30 FFEDLN N#Cc1ccc(C(=O)COC(=O)c2nn(-c3ccccc3F)cc2O)cc1 ZINC000801379045 1018913504 /nfs/dbraw/zinc/91/35/04/1018913504.db2.gz SWKFFRAOVJSAIW-UHFFFAOYSA-N 0 2 365.320 2.628 20 30 FFEDLN Cc1ncc(C#N)cc1NS(=O)(=O)c1ccccc1Br ZINC001257330952 1019024266 /nfs/dbraw/zinc/02/42/66/1019024266.db2.gz VADNXPYJYUHQFT-UHFFFAOYSA-N 0 2 352.213 2.825 20 30 FFEDLN CSc1[nH]c(=O)c(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1C#N ZINC000777844688 1019707016 /nfs/dbraw/zinc/70/70/16/1019707016.db2.gz CMVHXHAOBHSRNS-UHFFFAOYSA-N 0 2 370.434 2.771 20 30 FFEDLN N#Cc1c([O-])c2cccc([N+](=O)[O-])c2c(O[C@@H]2CC[NH2+]CC2(F)F)c1C#N ZINC001218012632 1032950638 /nfs/dbraw/zinc/95/06/38/1032950638.db2.gz SRAOSZVVIRVDBP-CYBMUJFWSA-N 0 2 374.303 2.573 20 30 FFEDLN Cc1ccnc2[nH]c([C@H](C#N)C(=O)CNC(=O)CC3CCCCC3)nc21 ZINC000750724774 1022429065 /nfs/dbraw/zinc/42/90/65/1022429065.db2.gz UFDSKDDDCHBWCO-CQSZACIVSA-N 0 2 353.426 2.529 20 30 FFEDLN Cc1ccnc2[nH]c([C@@H](C#N)C(=O)[C@@H](C)NC(=O)C3CCCCC3)nc21 ZINC000750727845 1022434018 /nfs/dbraw/zinc/43/40/18/1022434018.db2.gz ANERQUNYAHXSNK-OCCSQVGLSA-N 0 2 353.426 2.528 20 30 FFEDLN C=CCn1c(-c2c[nH]n(CC)c2=O)nnc1N(C)CCOc1ccccc1 ZINC001121496370 1023811155 /nfs/dbraw/zinc/81/11/55/1023811155.db2.gz DJIIZSOKOVRKSP-UHFFFAOYSA-N 0 2 368.441 2.568 20 30 FFEDLN CNC(=O)CC1SC(=Nc2ccc3c(c2)CCC3)N(C2CC=CC2)C1=O ZINC000759697849 1024728808 /nfs/dbraw/zinc/72/88/08/1024728808.db2.gz WMOLRGWFNWONBW-QGZVFWFLSA-N 0 2 369.490 2.962 20 30 FFEDLN CNC(=O)C[C@H]1SC(=Nc2ccc3c(c2)CCC3)N(C2CC=CC2)C1=O ZINC000759697849 1024728816 /nfs/dbraw/zinc/72/88/16/1024728816.db2.gz WMOLRGWFNWONBW-QGZVFWFLSA-N 0 2 369.490 2.962 20 30 FFEDLN C=CCn1c(=O)c2ccc(C(=O)N[C@@H]3CC=CC[C@H]3C)cc2[nH]c1=S ZINC001161901611 1028354133 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