smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CC[C@H]1CCN1C(=O)C[C@H](C)[N-]S(=O)(=O)c1cccnc1Cl ZINC000890558179 769715639 /nfs/dbraw/zinc/71/56/39/769715639.db2.gz OETMSCYDHOHDGB-RYUDHWBXSA-N -1 3 357.863 1.969 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2n[nH]c(C)c2C)ccc1F ZINC000728190295 769970360 /nfs/dbraw/zinc/97/03/60/769970360.db2.gz BUCXHUDMBDNXHO-UHFFFAOYSA-N -1 3 352.391 1.882 20 30 FDEDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1ccc(C#N)cc1F ZINC000748149956 773795024 /nfs/dbraw/zinc/79/50/24/773795024.db2.gz VHFYXRVADZHMRL-UHFFFAOYSA-N -1 3 358.391 1.085 20 30 FDEDHM C#Cc1ccc(C(=O)N2CC[C@H]3CN(C(=O)c4ccccc4[O-])C[C@H]32)nc1 ZINC001022290764 779166119 /nfs/dbraw/zinc/16/61/19/779166119.db2.gz TYLFJXXVCBRJPU-MAUKXSAKSA-N -1 3 361.401 1.755 20 30 FDEDHM Cn1ncc2c1ncc(C(=O)N1CCC[C@@]3(CCCCO3)[C@@H]1C#N)c2[O-] ZINC000377277490 791432894 /nfs/dbraw/zinc/43/28/94/791432894.db2.gz MLEACAPZTTZCCA-KSSFIOAISA-N -1 3 355.398 1.741 20 30 FDEDHM CNC(=O)c1ccc(C([O-])=C(C#N)C(=O)Nc2ccccc2OC)cn1 ZINC000728767252 794953434 /nfs/dbraw/zinc/95/34/34/794953434.db2.gz YTANDWVHNXMDMF-LBPRGKRZSA-N -1 3 352.350 1.411 20 30 FDEDHM Cc1ccc([N-]S(=O)(=O)[C@@H](C)C#N)c(I)n1 ZINC001193107591 969473394 /nfs/dbraw/zinc/47/33/94/969473394.db2.gz YANWGPCHVFIZCX-ZETCQYMHSA-N -1 3 351.169 1.648 20 30 FDEDHM C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NC1CCC(NCc2n[nH]c(=O)[n-]2)CC1 ZINC001026574480 795579181 /nfs/dbraw/zinc/57/91/81/795579181.db2.gz ZNPMWQOPMCICIE-UJJWPFCGSA-N -1 3 363.462 1.399 20 30 FDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H](CO)C[C@H](O)C(C)(C)C ZINC000511974405 806829107 /nfs/dbraw/zinc/82/91/07/806829107.db2.gz RVVFRHIJKMFYPM-CJNGLKHVSA-N -1 3 363.458 1.483 20 30 FDEDHM N#Cc1ccc(CN2C[C@@H](NC(=O)c3ccccc3[O-])[C@@H](O)C2)cc1F ZINC001083346858 810947306 /nfs/dbraw/zinc/94/73/06/810947306.db2.gz COYPILZTVQIZBJ-AEFFLSMTSA-N -1 3 355.369 1.378 20 30 FDEDHM COC(=O)[C@@H](CNC(=O)c1cc(C#N)cn1C)Cc1ccc([O-])c(F)c1 ZINC000421235021 814008428 /nfs/dbraw/zinc/00/84/28/814008428.db2.gz GOZZUSAYPJGQEK-CYBMUJFWSA-N -1 3 359.357 1.503 20 30 FDEDHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NCC#CCO)c2)cc1 ZINC000514801406 815990158 /nfs/dbraw/zinc/99/01/58/815990158.db2.gz HEZIMVZWVBEWNJ-UHFFFAOYSA-N -1 3 372.446 1.830 20 30 FDEDHM C#CCN1CCC(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])CC1 ZINC000909443674 820273653 /nfs/dbraw/zinc/27/36/53/820273653.db2.gz RRPXHKCVWMBNAX-SFHVURJKSA-N -1 3 353.422 1.625 20 30 FDEDHM O=C1[C@@H](NCc2ccc(I)s2)CCCN1[O-] ZINC000895158463 821194806 /nfs/dbraw/zinc/19/48/06/821194806.db2.gz JQUOTUJDWDKBAO-QMMMGPOBSA-N -1 3 352.197 1.823 20 30 FDEDHM CC[C@@H]1[C@@H](NC(=O)c2cnc[n-]c2=O)CCN1Cc1ccc(F)c(C#N)c1 ZINC001087617227 821763405 /nfs/dbraw/zinc/76/34/05/821763405.db2.gz NPOAPGWDMCRINK-DLBZAZTESA-N -1 3 369.400 1.976 20 30 FDEDHM C=C(Br)CN1CC[C@H](NC(=O)c2cnc[n-]c2=O)[C@H]1CC ZINC001087617466 821765307 /nfs/dbraw/zinc/76/53/07/821765307.db2.gz GKCQMFHZGPUJJM-NWDGAFQWSA-N -1 3 355.236 1.674 20 30 FDEDHM C=CCN1CC[C@H](N(C)C(=O)CCNC(=O)c2ccc(C)cc2[O-])C1=O ZINC000281755899 826207495 /nfs/dbraw/zinc/20/74/95/826207495.db2.gz PUPPUHLNSZKERM-HNNXBMFYSA-N -1 3 359.426 1.066 20 30 FDEDHM CC[C@@H]1[C@@H](NC(=O)c2c(C)nc[n-]c2=O)CCN1C(=O)c1c[nH]c(C#N)c1 ZINC000985305836 827196672 /nfs/dbraw/zinc/19/66/72/827196672.db2.gz MEFINSSGSRCACU-UONOGXRCSA-N -1 3 368.397 1.114 20 30 FDEDHM N#Cc1ccc(C2([N-]S(=O)(=O)c3cccnc3C#N)CCOCC2)cc1 ZINC000528556934 829452774 /nfs/dbraw/zinc/45/27/74/829452774.db2.gz WZKYJSBWDHZKDH-UHFFFAOYSA-N -1 3 368.418 1.809 20 30 FDEDHM C=CC[C@@H](C)[N-]S(=O)(=O)c1cnn(C)c1I ZINC000866801475 976070988 /nfs/dbraw/zinc/07/09/88/976070988.db2.gz AWZVNBBOXPJPRU-SSDOTTSWSA-N -1 3 355.201 1.268 20 30 FDEDHM CCn1c(=O)c2ccc(C(=O)C(C#N)c3ccncn3)cc2[n-]c1=S ZINC000760347670 839864403 /nfs/dbraw/zinc/86/44/03/839864403.db2.gz XGQNHZVRVGZUQX-GFCCVEGCSA-N -1 3 351.391 1.985 20 30 FDEDHM Cc1nc[n-]c(=O)c1C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2F)[C@@H]1C ZINC001088808207 844901715 /nfs/dbraw/zinc/90/17/15/844901715.db2.gz WLBGOMYYTHHHHE-WBMJQRKESA-N -1 3 369.400 1.894 20 30 FDEDHM CC(C)(C)OC(=O)N=c1[n-]cc(C(=O)N2CCN(CC#N)CC2)s1 ZINC000906757508 853274569 /nfs/dbraw/zinc/27/45/69/853274569.db2.gz WTXBTIHMQMJQNY-UHFFFAOYSA-N -1 3 351.432 1.771 20 30 FDEDHM N#Cc1sc2ccccc2c1S(=O)(=O)[N-]C[C@@H](O)C(F)(F)F ZINC000906962742 853586913 /nfs/dbraw/zinc/58/69/13/853586913.db2.gz GNPJRNXVMZPTKT-SNVBAGLBSA-N -1 3 350.343 1.974 20 30 FDEDHM C=CCCC(=O)[C@@H]1CCCN1C(=O)c1ccc(F)c(S(=O)(=O)[N-]C)c1 ZINC000908652689 855658280 /nfs/dbraw/zinc/65/82/80/855658280.db2.gz RUWHUUFJBZPLKQ-AWEZNQCLSA-N -1 3 368.430 1.874 20 30 FDEDHM C=CCOc1cn(-c2ccccc2)nc1C(=O)NCCCc1c[n-][nH]c1=O ZINC000912468724 859775639 /nfs/dbraw/zinc/77/56/39/859775639.db2.gz GGJKNLLUXXSTCQ-AWEZNQCLSA-N -1 3 367.409 1.679 20 30 FDEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OCCCc1ccccc1 ZINC000912594357 859925949 /nfs/dbraw/zinc/92/59/49/859925949.db2.gz YUSZWRSCMRLZTO-UHFFFAOYSA-N -1 3 358.419 1.901 20 30 FDEDHM N#Cc1cc(C(=O)NCC[N-]S(=O)(=O)c2ccc(Cl)cc2F)co1 ZINC001128384357 872490789 /nfs/dbraw/zinc/49/07/89/872490789.db2.gz QPWHOQKFEZKEOW-UHFFFAOYSA-N -1 3 371.777 1.652 20 30 FDEDHM C=C(CNC(=O)[C@H](C)[N-]S(=O)(=O)c1c(C)noc1C)c1ccccc1 ZINC000673342395 873556050 /nfs/dbraw/zinc/55/60/50/873556050.db2.gz FMYIAFGCGQLDOQ-ZDUSSCGKSA-N -1 3 363.439 1.788 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)O[C@@H](CC)C(=O)OC)ccc1F ZINC000762786959 876533396 /nfs/dbraw/zinc/53/33/96/876533396.db2.gz KYEAWQFQYCRFFL-LBPRGKRZSA-N -1 3 359.375 1.398 20 30 FDEDHM COCC#CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000762789175 876535232 /nfs/dbraw/zinc/53/52/32/876535232.db2.gz UTCWKHBNYZJPRL-UHFFFAOYSA-N -1 3 357.403 1.709 20 30 FDEDHM Cc1ncc(CO)c(/C=N\[C@@H](C)Cn2ncc3ccccc3c2=O)c1[O-] ZINC000763274946 879909563 /nfs/dbraw/zinc/90/95/63/879909563.db2.gz AFEXHFUFYDPXTE-CATAHAEOSA-N -1 3 352.394 1.805 20 30 FDEDHM COc1cc(C([O-])=C(C#N)C(=O)Nc2ccccn2)cc2c1OCCO2 ZINC000917508381 883496921 /nfs/dbraw/zinc/49/69/21/883496921.db2.gz QLZCIFVFMDBPIS-GFCCVEGCSA-N -1 3 353.334 1.823 20 30 FDEDHM C=C(C)C(C)(C)C(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(C)nc[n-]c1=O)C2 ZINC000999508686 912861612 /nfs/dbraw/zinc/86/16/12/912861612.db2.gz JSHUKDWEGKRDLU-RDBSUJKOSA-N -1 3 358.442 1.955 20 30 FDEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC(CNC(=O)c2cccc3n[n-]nc32)C1 ZINC001002090149 891912939 /nfs/dbraw/zinc/91/29/39/891912939.db2.gz QPKBDAKHXDPXBG-YOEHRIQHSA-N -1 3 369.425 1.127 20 30 FDEDHM C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)c2ccccc2[O-])[C@H](OC)C1 ZINC000941247625 894473659 /nfs/dbraw/zinc/47/36/59/894473659.db2.gz CKRBUBRHLYDXLQ-IDCNUPLLSA-N -1 3 374.437 1.329 20 30 FDEDHM C[C@H](CC(=O)N[C@H]1CCC(F)(F)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000763843328 900150503 /nfs/dbraw/zinc/15/05/03/900150503.db2.gz XHDMCEIMMPVMPG-MNOVXSKESA-N -1 3 371.409 1.808 20 30 FDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCCS(=O)(=O)CC1CC1 ZINC000765702131 908004974 /nfs/dbraw/zinc/00/49/74/908004974.db2.gz DNMIIDHRWMDDTG-UHFFFAOYSA-N -1 3 365.455 1.149 20 30 FDEDHM CC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)N2CCO[C@H](C#N)C2)ccc1F ZINC000729978832 915902868 /nfs/dbraw/zinc/90/28/68/915902868.db2.gz POYBRVNKANSCSD-GFCCVEGCSA-N -1 3 369.418 1.267 20 30 FDEDHM C=CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(Br)c1[O-] ZINC000730366327 916681444 /nfs/dbraw/zinc/68/14/44/916681444.db2.gz UUFRURXTHXSKCB-MRVPVSSYSA-N -1 3 371.187 1.712 20 30 FDEDHM Cc1n[nH]c(C)c1NC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742547120 926083557 /nfs/dbraw/zinc/08/35/57/926083557.db2.gz WXMHNHWUDVHLDR-VIFPVBQESA-N -1 3 361.427 1.482 20 30 FDEDHM COc1cccnc1NC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742599787 926099863 /nfs/dbraw/zinc/09/98/63/926099863.db2.gz YBZSFLDHUPMKHK-LLVKDONJSA-N -1 3 374.422 1.546 20 30 FDEDHM CCOCCN(CC)C(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000742652195 926114400 /nfs/dbraw/zinc/11/44/00/926114400.db2.gz CXNKKMULDGXYIU-ZDUSSCGKSA-N -1 3 367.471 1.389 20 30 FDEDHM CCC(=O)[C@H](C)OC(=O)C[C@@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000745495449 927271005 /nfs/dbraw/zinc/27/10/05/927271005.db2.gz GUQMWZZARCXXNV-MNOVXSKESA-N -1 3 352.412 1.415 20 30 FDEDHM C=CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(NC(=O)OC)c([O-])c1 ZINC000745651981 927333990 /nfs/dbraw/zinc/33/39/90/927333990.db2.gz CTIRKGUMOFCQOE-VIFPVBQESA-N -1 3 365.342 1.128 20 30 FDEDHM COC(=O)Cc1cc(Cl)nc([N-]c2c(C#N)cnn2C(=O)OC)c1C#N ZINC001169962401 928980682 /nfs/dbraw/zinc/98/06/82/928980682.db2.gz MQKRIASYGHMCBH-UHFFFAOYSA-N -1 3 374.744 1.748 20 30 FDEDHM COc1cc(C=NNc2nc3c(cnn3C)c(=O)[nH]2)c([N+](=O)[O-])cc1[O-] ZINC000769819351 929664568 /nfs/dbraw/zinc/66/45/68/929664568.db2.gz MFIMBNVJAGEDSW-UHFFFAOYSA-N -1 3 359.302 1.137 20 30 FDEDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)Nc1sccc1C#N ZINC000770107523 929845222 /nfs/dbraw/zinc/84/52/22/929845222.db2.gz MQURWQKBOSXGIR-NSHDSACASA-N -1 3 373.456 1.065 20 30 FDEDHM CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCc1cn2ccccc2c1C#N ZINC000770114800 929860991 /nfs/dbraw/zinc/86/09/91/929860991.db2.gz ZLFJXVZLUQOZJQ-HNNXBMFYSA-N -1 3 363.439 1.818 20 30 FDEDHM CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCc1cn2ccccc2c1C#N ZINC000770114801 929861390 /nfs/dbraw/zinc/86/13/90/929861390.db2.gz ZLFJXVZLUQOZJQ-OAHLLOKOSA-N -1 3 363.439 1.818 20 30 FDEDHM COC(C)(C)CCOC(=O)C[C@H](C)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000787722420 932366547 /nfs/dbraw/zinc/36/65/47/932366547.db2.gz QPPKTKMAEIMDKT-LBPRGKRZSA-N -1 3 368.455 1.862 20 30 FDEDHM COC(=O)[C@H](C[N-]S(=O)(=O)CC(C)(C)C#N)Oc1ccc(F)cc1 ZINC000790045139 933312646 /nfs/dbraw/zinc/31/26/46/933312646.db2.gz XGYXHLBXQVIKJM-ZDUSSCGKSA-N -1 3 358.391 1.215 20 30 FDEDHM C[C@H](CC(=O)N(C)CCCCCO)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000790142093 933379620 /nfs/dbraw/zinc/37/96/20/933379620.db2.gz BABBJQKJUOHMEH-CYBMUJFWSA-N -1 3 367.471 1.125 20 30 FDEDHM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)Cc2ccc(C#N)cc2F)c1 ZINC000790831034 933759784 /nfs/dbraw/zinc/75/97/84/933759784.db2.gz XWPLJDQAILMNDF-UHFFFAOYSA-N -1 3 371.393 1.737 20 30 FDEDHM CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1ccc(C#N)c(F)c1 ZINC000791400780 933995688 /nfs/dbraw/zinc/99/56/88/933995688.db2.gz XMCHUKCKJDKBPD-UHFFFAOYSA-N -1 3 358.391 1.085 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@]2(CC)CCOC2)ccc1F ZINC000791424826 934013726 /nfs/dbraw/zinc/01/37/26/934013726.db2.gz ZUUABSCVWYDDIC-MRXNPFEDSA-N -1 3 356.419 1.589 20 30 FDEDHM C=CCN(CCC(=O)Nc1cccc(-c2nnn[n-]2)c1)CC(=O)OCC ZINC000819743264 945277180 /nfs/dbraw/zinc/27/71/80/945277180.db2.gz GFNYTUCNMBJHFW-UHFFFAOYSA-N -1 3 358.402 1.246 20 30 FDEDHM C=CCN(CCC(=O)Nc1cccc(-c2nn[n-]n2)c1)CC(=O)OCC ZINC000819743264 945277187 /nfs/dbraw/zinc/27/71/87/945277187.db2.gz GFNYTUCNMBJHFW-UHFFFAOYSA-N -1 3 358.402 1.246 20 30 FDEDHM C=CCN1C(=O)N[C@@H](c2cc(-c3nnn[n-]3)cs2)C(C(=O)OC)=C1C ZINC000819751189 945281754 /nfs/dbraw/zinc/28/17/54/945281754.db2.gz SLTBVQMAQMNOTF-LBPRGKRZSA-N -1 3 360.399 1.628 20 30 FDEDHM 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20 30 FDEDHM C#CCCCC(=O)N[C@@H]1CC[C@@H](C)N(c2ncccc2-c2nn[n-]n2)C1 ZINC001573284648 946751814 /nfs/dbraw/zinc/75/18/14/946751814.db2.gz IKYZRTAGEYJWQE-ZIAGYGMSSA-N -1 3 353.430 1.539 20 30 FDEDHM C#CCCCC(=O)N(C)CCNc1cc(-c2nnn[n-]2)ccc1[N+](=O)[O-] ZINC001573285072 946766977 /nfs/dbraw/zinc/76/69/77/946766977.db2.gz QYADRWMHEQDBEV-UHFFFAOYSA-N -1 3 357.374 1.449 20 30 FDEDHM C#CCCCC(=O)N(C)CCNc1cc(-c2nn[n-]n2)ccc1[N+](=O)[O-] ZINC001573285072 946766985 /nfs/dbraw/zinc/76/69/85/946766985.db2.gz QYADRWMHEQDBEV-UHFFFAOYSA-N -1 3 357.374 1.449 20 30 FDEDHM C#CCO[C@H](C)C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C(C)(C)C ZINC001573287360 946834950 /nfs/dbraw/zinc/83/49/50/946834950.db2.gz NEUGVLWHAOXAGK-OCCSQVGLSA-N -1 3 371.445 1.243 20 30 FDEDHM C#CCO[C@H](C)C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C(C)(C)C ZINC001573287360 946834954 /nfs/dbraw/zinc/83/49/54/946834954.db2.gz NEUGVLWHAOXAGK-OCCSQVGLSA-N -1 3 371.445 1.243 20 30 FDEDHM C#Cc1ccc(C(=O)N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)cc1 ZINC001573288921 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371.445 1.375 20 30 FDEDHM C=C(C)C(C)(C)C(=O)NC[C@H]1CCN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573293139 946948584 /nfs/dbraw/zinc/94/85/84/946948584.db2.gz MXHNHZRARMJIPB-GFCCVEGCSA-N -1 3 371.445 1.375 20 30 FDEDHM C[C@H](C#N)C(=O)N(C)[C@@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573560843 946958451 /nfs/dbraw/zinc/95/84/51/946958451.db2.gz HGCYTKSFFQHZCX-YGRLFVJLSA-N -1 3 357.393 1.814 20 30 FDEDHM C[C@H](C#N)C(=O)N(C)[C@@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573560843 946958459 /nfs/dbraw/zinc/95/84/59/946958459.db2.gz HGCYTKSFFQHZCX-YGRLFVJLSA-N -1 3 357.393 1.814 20 30 FDEDHM C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573566013 947020703 /nfs/dbraw/zinc/02/07/03/947020703.db2.gz ZCHNTJIGOAKUBD-FPMFFAJLSA-N -1 3 369.404 1.341 20 30 FDEDHM C[C@@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(-c2nn[n-]n2)c1 ZINC001573566013 947020718 /nfs/dbraw/zinc/02/07/18/947020718.db2.gz ZCHNTJIGOAKUBD-FPMFFAJLSA-N -1 3 369.404 1.341 20 30 FDEDHM 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1.470 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573572108 947109054 /nfs/dbraw/zinc/10/90/54/947109054.db2.gz FFXVALWXMXEVHV-CJBNDPTMSA-N -1 3 352.402 1.039 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573572108 947109062 /nfs/dbraw/zinc/10/90/62/947109062.db2.gz FFXVALWXMXEVHV-CJBNDPTMSA-N -1 3 352.402 1.039 20 30 FDEDHM N#C[C@H]1CN(C(=O)c2nnc3ccccc3c2[O-])CCN1Cc1ccccc1 ZINC000114558256 971331172 /nfs/dbraw/zinc/33/11/72/971331172.db2.gz WLJZLVCOOVQWJH-INIZCTEOSA-N -1 3 373.416 1.773 20 30 FDEDHM C[C@@H](C#N)C(=O)NC1(CNc2ncc(-c3nnn[n-]3)cc2F)CCCC1 ZINC001573573460 947121683 /nfs/dbraw/zinc/12/16/83/947121683.db2.gz NKZPXYFEIOHWBD-JTQLQIEISA-N -1 3 358.381 1.401 20 30 FDEDHM C[C@@H](C#N)C(=O)NC1(CNc2ncc(-c3nn[n-]n3)cc2F)CCCC1 ZINC001573573460 947121697 /nfs/dbraw/zinc/12/16/97/947121697.db2.gz NKZPXYFEIOHWBD-JTQLQIEISA-N -1 3 358.381 1.401 20 30 FDEDHM C=C(C)C[C@H](C)C(=O)N(C)CCCNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 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/nfs/dbraw/zinc/14/65/73/947146573.db2.gz HXUSTPIKWFBQRP-ZDUSSCGKSA-N -1 3 371.445 1.374 20 30 FDEDHM C=CC(C)(C)CC(=O)N(CCO)CCNc1nc(C)ccc1-c1nnn[n-]1 ZINC001573305633 947158669 /nfs/dbraw/zinc/15/86/69/947158669.db2.gz SQYHRIOLUACTBA-UHFFFAOYSA-N -1 3 373.461 1.405 20 30 FDEDHM C=CC(C)(C)CC(=O)N(CCO)CCNc1nc(C)ccc1-c1nn[n-]n1 ZINC001573305633 947158671 /nfs/dbraw/zinc/15/86/71/947158671.db2.gz SQYHRIOLUACTBA-UHFFFAOYSA-N -1 3 373.461 1.405 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001573577707 947172796 /nfs/dbraw/zinc/17/27/96/947172796.db2.gz SCEHYXWTKRGUEM-ZWNOBZJWSA-N -1 3 357.393 1.496 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@@H]1CN(c2cccc(F)c2-c2nn[n-]n2)CC1(C)C ZINC001573577707 947172801 /nfs/dbraw/zinc/17/28/01/947172801.db2.gz SCEHYXWTKRGUEM-ZWNOBZJWSA-N -1 3 357.393 1.496 20 30 FDEDHM C[C@@H](C#N)C(=O)NCCC1(CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573583110 947200455 /nfs/dbraw/zinc/20/04/55/947200455.db2.gz JMLYTJSAZGZFFZ-NSHDSACASA-N -1 3 357.393 1.864 20 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C=CCC(C)(C)C(=O)N[C@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573319893 947339336 /nfs/dbraw/zinc/33/93/36/947339336.db2.gz SNCTXVFBJPDVDW-NSHDSACASA-N -1 3 357.418 1.128 20 30 FDEDHM C=CCC(CC=C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573326796 947378652 /nfs/dbraw/zinc/37/86/52/947378652.db2.gz VUCJIQPELIYNSW-AWEZNQCLSA-N -1 3 367.457 1.973 20 30 FDEDHM C=CCC(CC=C)C(=O)NC[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573326796 947378661 /nfs/dbraw/zinc/37/86/61/947378661.db2.gz VUCJIQPELIYNSW-AWEZNQCLSA-N -1 3 367.457 1.973 20 30 FDEDHM C=CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573328546 947409256 /nfs/dbraw/zinc/40/92/56/947409256.db2.gz YFPKKOJZQCCXHK-UONOGXRCSA-N -1 3 355.446 1.949 20 30 FDEDHM C=CCCC(=O)N[C@@H](C)[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573328546 947409259 /nfs/dbraw/zinc/40/92/59/947409259.db2.gz YFPKKOJZQCCXHK-UONOGXRCSA-N -1 3 355.446 1.949 20 30 FDEDHM C=CCCC(=O)N(C)[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C1CC1 ZINC001573328809 947413781 /nfs/dbraw/zinc/41/37/81/947413781.db2.gz CQWBENXSYCQQNA-CQSZACIVSA-N -1 3 357.418 1.128 20 30 FDEDHM C=CCCC(=O)N(C)[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C1CC1 ZINC001573328809 947413785 /nfs/dbraw/zinc/41/37/85/947413785.db2.gz CQWBENXSYCQQNA-CQSZACIVSA-N -1 3 357.418 1.128 20 30 FDEDHM C=CCCC(=O)N1CCC(C)(CNC(=O)c2c[nH]c(-c3nnn[n-]3)c2)CC1 ZINC001573330575 947435178 /nfs/dbraw/zinc/43/51/78/947435178.db2.gz ZCHJGHYPYJSPHG-UHFFFAOYSA-N -1 3 371.445 1.520 20 30 FDEDHM C=CCCC(=O)N1CCC(C)(CNC(=O)c2c[nH]c(-c3nn[n-]n3)c2)CC1 ZINC001573330575 947435183 /nfs/dbraw/zinc/43/51/83/947435183.db2.gz ZCHJGHYPYJSPHG-UHFFFAOYSA-N -1 3 371.445 1.520 20 30 FDEDHM C=CCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573333666 947440085 /nfs/dbraw/zinc/44/00/85/947440085.db2.gz CRVLTOSMKLOYGH-LBPRGKRZSA-N -1 3 357.418 1.272 20 30 FDEDHM C=CCCCC(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573333666 947440091 /nfs/dbraw/zinc/44/00/91/947440091.db2.gz CRVLTOSMKLOYGH-LBPRGKRZSA-N 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ZINC001573343017 947549359 /nfs/dbraw/zinc/54/93/59/947549359.db2.gz IEPMKTQPBIKPDD-AWEZNQCLSA-N -1 3 371.445 1.200 20 30 FDEDHM C=CCOCC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573344195 947568532 /nfs/dbraw/zinc/56/85/32/947568532.db2.gz YVYJANSRTXSBIS-CQSZACIVSA-N -1 3 371.445 1.139 20 30 FDEDHM C=CCOCC(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573344195 947568544 /nfs/dbraw/zinc/56/85/44/947568544.db2.gz YVYJANSRTXSBIS-CQSZACIVSA-N -1 3 371.445 1.139 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CO)C[C@@H](C)CC)ccc1F ZINC000844030362 947589110 /nfs/dbraw/zinc/58/91/10/947589110.db2.gz GHQSBSMJLFFHGT-GXTWGEPZSA-N -1 3 372.462 1.817 20 30 FDEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573351592 947617332 /nfs/dbraw/zinc/61/73/32/947617332.db2.gz TWKNGVNGHZWNAE-BNOWGMLFSA-N -1 3 357.418 1.112 20 30 FDEDHM C=C[C@@H]1OCC[C@H]1C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573351592 947617341 /nfs/dbraw/zinc/61/73/41/947617341.db2.gz 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FDEDHM C#CC[C@@H](NS(=O)(=O)c1ccccc1-c1nnn[n-]1)c1ccccc1 ZINC000823838829 607938697 /nfs/dbraw/zinc/93/86/97/607938697.db2.gz VIUCCPBDRWHUQE-OAHLLOKOSA-N -1 3 353.407 1.910 20 30 FDEDHM C#CC[C@@H](NS(=O)(=O)c1ccccc1-c1nn[n-]n1)c1ccccc1 ZINC000823838829 607938698 /nfs/dbraw/zinc/93/86/98/607938698.db2.gz VIUCCPBDRWHUQE-OAHLLOKOSA-N -1 3 353.407 1.910 20 30 FDEDHM C#CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823837329 607944222 /nfs/dbraw/zinc/94/42/22/607944222.db2.gz BRVSSFLNHRJRDM-INIZCTEOSA-N -1 3 360.377 1.686 20 30 FDEDHM C#CC[C@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823837329 607944223 /nfs/dbraw/zinc/94/42/23/607944223.db2.gz BRVSSFLNHRJRDM-INIZCTEOSA-N -1 3 360.377 1.686 20 30 FDEDHM C#CC[C@H](NC(=O)C(=O)Nc1cc(-c2nnn[n-]2)ccc1C)c1ccccc1 ZINC000823838417 607944405 /nfs/dbraw/zinc/94/44/05/607944405.db2.gz PYZRXTIZXJHULV-INIZCTEOSA-N -1 3 374.404 1.994 20 30 FDEDHM C#CC[C@H](NC(=O)C(=O)Nc1cc(-c2nn[n-]n2)ccc1C)c1ccccc1 ZINC000823838417 607944406 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FDEDHM CCN1CCN(C2CCN([C@@H](C(=O)[O-])c3cccc(C#N)c3)CC2)C1=O ZINC000829771357 601314989 /nfs/dbraw/zinc/31/49/89/601314989.db2.gz VBMYRGZSMIMORP-QGZVFWFLSA-N -1 3 356.426 1.906 20 30 FDEDHM C[C@H]1CN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C[C@@H]1C(=O)[O-] ZINC000828430838 601540913 /nfs/dbraw/zinc/54/09/13/601540913.db2.gz DTJLJDLYXAKVTO-WFASDCNBSA-N -1 3 368.355 1.826 20 30 FDEDHM N#CCc1ccc(OC[C@@H](O)CN2CCSC[C@H]2CC(=O)[O-])cc1 ZINC000833068929 601923946 /nfs/dbraw/zinc/92/39/46/601923946.db2.gz HVWDSEFBMRIBAK-CABCVRRESA-N -1 3 350.440 1.384 20 30 FDEDHM COc1ccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1C#N ZINC000826207836 607542304 /nfs/dbraw/zinc/54/23/04/607542304.db2.gz GXSUJZFUXVGZTM-UHFFFAOYSA-N -1 3 364.394 1.888 20 30 FDEDHM COc1ccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1C#N ZINC000826207836 607542307 /nfs/dbraw/zinc/54/23/07/607542307.db2.gz GXSUJZFUXVGZTM-UHFFFAOYSA-N -1 3 364.394 1.888 20 30 FDEDHM CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000825399046 607597401 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CC(C)CCn1cc(C(=O)Nc2ccc(C#N)c(-c3nn[n-]n3)c2)nn1 ZINC000735817765 599193904 /nfs/dbraw/zinc/19/39/04/599193904.db2.gz DKMPWLVZNJEBGE-UHFFFAOYSA-N -1 3 351.374 1.628 20 30 FDEDHM CCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nnn[n-]2)c(C#N)c1 ZINC000736411972 599197376 /nfs/dbraw/zinc/19/73/76/599197376.db2.gz MVMSLQLKRPQHHP-CYBMUJFWSA-N -1 3 371.426 1.378 20 30 FDEDHM CCCC(=O)N1CSC[C@@H]1C(=O)Nc1ccc(-c2nn[n-]n2)c(C#N)c1 ZINC000736411972 599197378 /nfs/dbraw/zinc/19/73/78/599197378.db2.gz MVMSLQLKRPQHHP-CYBMUJFWSA-N -1 3 371.426 1.378 20 30 FDEDHM C[C@@H](Oc1ccc(-c2nn[n-]n2)cc1)C(=O)Nc1ccn(CCC#N)n1 ZINC000736167643 599258649 /nfs/dbraw/zinc/25/86/49/599258649.db2.gz FXAMFNFNWGEPQT-LLVKDONJSA-N -1 3 352.358 1.383 20 30 FDEDHM N#CCN1CCC[C@H](CNC(=O)CCc2ccc(-c3nnn[n-]3)cc2)C1 ZINC000737696293 599275929 /nfs/dbraw/zinc/27/59/29/599275929.db2.gz PYLKJDUNOUSIAH-OAHLLOKOSA-N -1 3 353.430 1.151 20 30 FDEDHM N#CCN1CCC[C@H](CNC(=O)CCc2ccc(-c3nn[n-]n3)cc2)C1 ZINC000737696293 599275931 /nfs/dbraw/zinc/27/59/31/599275931.db2.gz PYLKJDUNOUSIAH-OAHLLOKOSA-N -1 3 353.430 1.151 20 30 FDEDHM C[C@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccc(-c2nnn[n-]2)cc1 ZINC000820380489 599283974 /nfs/dbraw/zinc/28/39/74/599283974.db2.gz UTGJBJBJVVLOQI-NSHDSACASA-N -1 3 351.374 1.860 20 30 FDEDHM C[C@H](NC(=O)Nc1ccn(CCC#N)n1)c1ccc(-c2nn[n-]n2)cc1 ZINC000820380489 599283976 /nfs/dbraw/zinc/28/39/76/599283976.db2.gz UTGJBJBJVVLOQI-NSHDSACASA-N -1 3 351.374 1.860 20 30 FDEDHM CCN1CCN(Cc2ccccc2CNC(=O)[C@](C)(C#N)CC(=O)[O-])CC1 ZINC000820354556 598224167 /nfs/dbraw/zinc/22/41/67/598224167.db2.gz YWAWQNWTXMXYMH-FQEVSTJZSA-N -1 3 372.469 1.445 20 30 FDEDHM O=C(NCC#Cc1ccccc1)NCc1ccc(-c2nnn[n-]2)cc1F ZINC000738039969 598317987 /nfs/dbraw/zinc/31/79/87/598317987.db2.gz QLIMSVPQSGODFD-UHFFFAOYSA-N -1 3 350.357 1.857 20 30 FDEDHM O=C(NCC#Cc1ccccc1)NCc1ccc(-c2nn[n-]n2)cc1F ZINC000738039969 598317989 /nfs/dbraw/zinc/31/79/89/598317989.db2.gz QLIMSVPQSGODFD-UHFFFAOYSA-N -1 3 350.357 1.857 20 30 FDEDHM C#CCN1CCC[C@H]1C(=O)NCCSCc1ccccc1-c1nnn[n-]1 ZINC000735382008 598408344 /nfs/dbraw/zinc/40/83/44/598408344.db2.gz UOGWTQGMTFTCTB-INIZCTEOSA-N -1 3 370.482 1.314 20 30 FDEDHM C#CCN1CCC[C@H]1C(=O)NCCSCc1ccccc1-c1nn[n-]n1 ZINC000735382008 598408345 /nfs/dbraw/zinc/40/83/45/598408345.db2.gz UOGWTQGMTFTCTB-INIZCTEOSA-N -1 3 370.482 1.314 20 30 FDEDHM N#Cc1cccc(NC(=O)c2ccc(-n3ncc(-c4nnn[n-]4)c3N)cc2)c1 ZINC000737730941 598433625 /nfs/dbraw/zinc/43/36/25/598433625.db2.gz SVCORCXEGYSLSA-UHFFFAOYSA-N -1 3 371.364 1.759 20 30 FDEDHM N#Cc1cccc(NC(=O)c2ccc(-n3ncc(-c4nn[n-]n4)c3N)cc2)c1 ZINC000737730941 598433627 /nfs/dbraw/zinc/43/36/27/598433627.db2.gz SVCORCXEGYSLSA-UHFFFAOYSA-N -1 3 371.364 1.759 20 30 FDEDHM CN(C(=O)COC(=O)c1ccc(-c2nnn[n-]2)cn1)C1(C#N)CCCCC1 ZINC000736737412 598476743 /nfs/dbraw/zinc/47/67/43/598476743.db2.gz RHIGIGHOYXPAPX-UHFFFAOYSA-N -1 3 369.385 1.103 20 30 FDEDHM CN(C(=O)COC(=O)c1ccc(-c2nn[n-]n2)cn1)C1(C#N)CCCCC1 ZINC000736737412 598476744 /nfs/dbraw/zinc/47/67/44/598476744.db2.gz RHIGIGHOYXPAPX-UHFFFAOYSA-N -1 3 369.385 1.103 20 30 FDEDHM CC(C)c1nnc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)n1C ZINC000735953207 598568589 /nfs/dbraw/zinc/56/85/89/598568589.db2.gz PWOKGIZGTRTHIG-UHFFFAOYSA-N -1 3 356.419 1.260 20 30 FDEDHM CC(C)c1nnc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)n1C ZINC000735953207 598568591 /nfs/dbraw/zinc/56/85/91/598568591.db2.gz PWOKGIZGTRTHIG-UHFFFAOYSA-N -1 3 356.419 1.260 20 30 FDEDHM C=CCSCCNC(=O)[C@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735436913 598596103 /nfs/dbraw/zinc/59/61/03/598596103.db2.gz UBLLQOGBPBMICO-OAHLLOKOSA-N -1 3 358.471 1.871 20 30 FDEDHM N#Cc1cc(NC(=O)NCCNc2ncccc2-c2nnn[n-]2)ccc1F ZINC000737710557 598634125 /nfs/dbraw/zinc/63/41/25/598634125.db2.gz ZDMYGZQILLFXQB-UHFFFAOYSA-N -1 3 367.348 1.506 20 30 FDEDHM N#Cc1cc(NC(=O)NCCNc2ncccc2-c2nn[n-]n2)ccc1F ZINC000737710557 598634127 /nfs/dbraw/zinc/63/41/27/598634127.db2.gz ZDMYGZQILLFXQB-UHFFFAOYSA-N -1 3 367.348 1.506 20 30 FDEDHM N#CCc1ccc(OS(=O)(=O)c2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737697507 598687319 /nfs/dbraw/zinc/68/73/19/598687319.db2.gz INNSMLFNKZSFKK-UHFFFAOYSA-N -1 3 359.342 1.840 20 30 FDEDHM Cc1cc(C#N)ccc1OS(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000737231260 598693965 /nfs/dbraw/zinc/69/39/65/598693965.db2.gz LSRMUADMNJDNAF-UHFFFAOYSA-N -1 3 359.342 1.954 20 30 FDEDHM N#Cc1ccc(OCC(=O)OCc2ccc(F)cc2-c2nnn[n-]2)cc1 ZINC000737722384 598703078 /nfs/dbraw/zinc/70/30/78/598703078.db2.gz UKYUUFLNIXPUBW-UHFFFAOYSA-N -1 3 353.313 2.000 20 30 FDEDHM N#Cc1ccc(OCC(=O)OCc2ccc(F)cc2-c2nn[n-]n2)cc1 ZINC000737722384 598703080 /nfs/dbraw/zinc/70/30/80/598703080.db2.gz UKYUUFLNIXPUBW-UHFFFAOYSA-N -1 3 353.313 2.000 20 30 FDEDHM C#Cc1ccc(C(=O)O[C@@H]2CCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)cn1 ZINC000735390348 598780393 /nfs/dbraw/zinc/78/03/93/598780393.db2.gz XVOBALMFSZDQLG-MRXNPFEDSA-N -1 3 374.360 1.205 20 30 FDEDHM C#Cc1ccc(C(=O)O[C@@H]2CCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)cn1 ZINC000735390348 598780394 /nfs/dbraw/zinc/78/03/94/598780394.db2.gz XVOBALMFSZDQLG-MRXNPFEDSA-N -1 3 374.360 1.205 20 30 FDEDHM COC[C@@H](C)NC(=S)NN=C1CCCc2cc(-c3nnn[n-]3)ccc21 ZINC000821682744 599331891 /nfs/dbraw/zinc/33/18/91/599331891.db2.gz MTKYBVFEISNJJC-SNVBAGLBSA-N -1 3 359.459 1.406 20 30 FDEDHM COC[C@@H](C)NC(=S)NN=C1CCCc2cc(-c3nn[n-]n3)ccc21 ZINC000821682744 599331894 /nfs/dbraw/zinc/33/18/94/599331894.db2.gz MTKYBVFEISNJJC-SNVBAGLBSA-N -1 3 359.459 1.406 20 30 FDEDHM COCc1nc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cs1 ZINC000821696864 599382255 /nfs/dbraw/zinc/38/22/55/599382255.db2.gz SBWHATNYDGSENK-UHFFFAOYSA-N -1 3 360.428 1.611 20 30 FDEDHM COCc1nc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cs1 ZINC000821696864 599382258 /nfs/dbraw/zinc/38/22/58/599382258.db2.gz SBWHATNYDGSENK-UHFFFAOYSA-N -1 3 360.428 1.611 20 30 FDEDHM C=CCCCN(C)CC(=O)Nc1c(-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000735413397 599476063 /nfs/dbraw/zinc/47/60/63/599476063.db2.gz UALCWTGPUHNFHU-UHFFFAOYSA-N -1 3 366.429 1.889 20 30 FDEDHM C=CCSCCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000735436522 599513387 /nfs/dbraw/zinc/51/33/87/599513387.db2.gz MBDJTDNGGPCOGY-UHFFFAOYSA-N -1 3 366.834 1.494 20 30 FDEDHM C=CCSCCNC(=O)C(=O)Nc1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000735436522 599513390 /nfs/dbraw/zinc/51/33/90/599513390.db2.gz MBDJTDNGGPCOGY-UHFFFAOYSA-N -1 3 366.834 1.494 20 30 FDEDHM C=CCOCCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000819759272 599668726 /nfs/dbraw/zinc/66/87/26/599668726.db2.gz RIDDDCUYEXCNIY-LBPRGKRZSA-N -1 3 359.386 1.720 20 30 FDEDHM C=CCOCCCC(=O)O[C@@H](C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000819759272 599668727 /nfs/dbraw/zinc/66/87/27/599668727.db2.gz RIDDDCUYEXCNIY-LBPRGKRZSA-N -1 3 359.386 1.720 20 30 FDEDHM Cn1cc(CN2CCCN([C@H](C(=O)[O-])c3cccc(C#N)c3)CC2)cn1 ZINC000833046412 601315711 /nfs/dbraw/zinc/31/57/11/601315711.db2.gz PVOVUIRAYWBNIL-SFHVURJKSA-N -1 3 353.426 1.625 20 30 FDEDHM N#Cc1ccc(CNC(=O)CN(C2CC2)C2CCN(C(=O)[O-])CC2)cc1 ZINC000740313756 601932574 /nfs/dbraw/zinc/93/25/74/601932574.db2.gz WXNZMUAUANPLDK-UHFFFAOYSA-N -1 3 356.426 1.781 20 30 FDEDHM N#CCCN(CC1CC1)S(=O)(=O)c1ccc(F)cc1-c1nnn[n-]1 ZINC000826381254 607609382 /nfs/dbraw/zinc/60/93/82/607609382.db2.gz DIHQFZQESYSXHM-UHFFFAOYSA-N -1 3 350.379 1.320 20 30 FDEDHM Cc1cccc(S(=O)(=O)NCc2ccc(-c3nnn[n-]3)cc2F)c1C#N ZINC000826303295 607610556 /nfs/dbraw/zinc/61/05/56/607610556.db2.gz IYBZKJGTKKQGAG-UHFFFAOYSA-N -1 3 372.385 1.664 20 30 FDEDHM Cc1cccc(S(=O)(=O)NCc2ccc(-c3nn[n-]n3)cc2F)c1C#N ZINC000826303295 607610559 /nfs/dbraw/zinc/61/05/59/607610559.db2.gz IYBZKJGTKKQGAG-UHFFFAOYSA-N -1 3 372.385 1.664 20 30 FDEDHM COC[C@@H](C)N=c1scc(C)n1N=Cc1ccc(-c2nnn[n-]2)cc1 ZINC000826148660 607633515 /nfs/dbraw/zinc/63/35/15/607633515.db2.gz NWETVRAKVUQIJL-LLVKDONJSA-N -1 3 357.443 1.856 20 30 FDEDHM COC[C@@H](C)N=c1scc(C)n1N=Cc1ccc(-c2nn[n-]n2)cc1 ZINC000826148660 607633516 /nfs/dbraw/zinc/63/35/16/607633516.db2.gz NWETVRAKVUQIJL-LLVKDONJSA-N -1 3 357.443 1.856 20 30 FDEDHM Cc1cc(-c2nnn[n-]2)ccc1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000826246211 607653394 /nfs/dbraw/zinc/65/33/94/607653394.db2.gz WIEXZHNFPHAPFV-UHFFFAOYSA-N -1 3 374.408 1.404 20 30 FDEDHM Cc1cc(-c2nn[n-]n2)ccc1C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000826246211 607653395 /nfs/dbraw/zinc/65/33/95/607653395.db2.gz WIEXZHNFPHAPFV-UHFFFAOYSA-N -1 3 374.408 1.404 20 30 FDEDHM COc1ccc(CNC(=O)C(C#N)C(=O)[C@@H]2CCC[C@H](NC(=O)[O-])C2)cc1 ZINC000829372002 604224203 /nfs/dbraw/zinc/22/42/03/604224203.db2.gz LXJBPPNJPHBNMD-IJEWVQPXSA-N -1 3 373.409 1.847 20 30 FDEDHM C#CCN1CCN(C(=O)CN[C@H](c2ccccc2)C(C)(C)C(=O)[O-])CC1 ZINC000833364973 605181995 /nfs/dbraw/zinc/18/19/95/605181995.db2.gz XDZUUWHGNOJLJS-GOSISDBHSA-N -1 3 357.454 1.206 20 30 FDEDHM O=C(C#Cc1ccccc1)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000822912027 606137927 /nfs/dbraw/zinc/13/79/27/606137927.db2.gz JIJHVFQSYXUUCT-UHFFFAOYSA-N -1 3 372.432 1.957 20 30 FDEDHM O=C(C#Cc1ccccc1)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000822912027 606137930 /nfs/dbraw/zinc/13/79/30/606137930.db2.gz JIJHVFQSYXUUCT-UHFFFAOYSA-N -1 3 372.432 1.957 20 30 FDEDHM Cc1nc(-c2nnn[n-]2)c(N=NCC2(CN3CCOCC3)CCCCC2)o1 ZINC000822424205 606203036 /nfs/dbraw/zinc/20/30/36/606203036.db2.gz UARAURRBKVELNG-UHFFFAOYSA-N -1 3 374.449 1.844 20 30 FDEDHM Cc1nc(-c2nn[n-]n2)c(N=NCC2(CN3CCOCC3)CCCCC2)o1 ZINC000822424205 606203037 /nfs/dbraw/zinc/20/30/37/606203037.db2.gz UARAURRBKVELNG-UHFFFAOYSA-N -1 3 374.449 1.844 20 30 FDEDHM COC(=O)[C@H](OC(=O)c1cc(C#N)cn1C)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648202 606384227 /nfs/dbraw/zinc/38/42/27/606384227.db2.gz DMPXXTRRAMVAKC-CQSZACIVSA-N -1 3 366.337 1.148 20 30 FDEDHM COC(=O)[C@H](OC(=O)c1cc(C#N)cn1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648202 606384229 /nfs/dbraw/zinc/38/42/29/606384229.db2.gz DMPXXTRRAMVAKC-CQSZACIVSA-N -1 3 366.337 1.148 20 30 FDEDHM O=C1C(=Cc2ccc(-c3nnn[n-]3)s2)CS(=O)(=O)c2ccccc21 ZINC000823503086 606390087 /nfs/dbraw/zinc/39/00/87/606390087.db2.gz AXEFAJZGEAJPTR-VQHVLOKHSA-N -1 3 358.404 1.982 20 30 FDEDHM C[C@H](COc1cccc(-c2nnn[n-]2)c1)OC(=O)c1cc(C#N)cn1C ZINC000820292736 606408545 /nfs/dbraw/zinc/40/85/45/606408545.db2.gz FYTADOGUADERAD-LLVKDONJSA-N -1 3 352.354 1.701 20 30 FDEDHM C[C@H](COc1cccc(-c2nn[n-]n2)c1)OC(=O)c1cc(C#N)cn1C ZINC000820292736 606408547 /nfs/dbraw/zinc/40/85/47/606408547.db2.gz FYTADOGUADERAD-LLVKDONJSA-N -1 3 352.354 1.701 20 30 FDEDHM O=C(C#Cc1ccc2c(c1)OCO2)OCc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000822912171 606763368 /nfs/dbraw/zinc/76/33/68/606763368.db2.gz PKSSYWRLWXBCRD-UHFFFAOYSA-N -1 3 366.308 1.829 20 30 FDEDHM O=C(C#Cc1ccc2c(c1)OCO2)OCc1ccc(F)c(-c2nn[n-]n2)c1 ZINC000822912171 606763370 /nfs/dbraw/zinc/76/33/70/606763370.db2.gz PKSSYWRLWXBCRD-UHFFFAOYSA-N -1 3 366.308 1.829 20 30 FDEDHM C#CCN(C(=O)NCCOc1ccc(-c2nn[n-]n2)cc1)C1CCCC1 ZINC000819697425 606833975 /nfs/dbraw/zinc/83/39/75/606833975.db2.gz DYLAKKJTEYAWFJ-UHFFFAOYSA-N -1 3 354.414 1.833 20 30 FDEDHM C=CCCS(=O)(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000819739790 607002905 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N#CCOc1ccc(CSc2nc(N)c(C#N)cc2-c2nnn[n-]2)cc1 ZINC000737697068 598532271 /nfs/dbraw/zinc/53/22/71/598532271.db2.gz BYKGMPAAZPMQMQ-UHFFFAOYSA-N -1 3 364.394 1.910 20 30 FDEDHM N#CCOc1ccc(CSc2nc(N)c(C#N)cc2-c2nn[n-]n2)cc1 ZINC000737697068 598532273 /nfs/dbraw/zinc/53/22/73/598532273.db2.gz BYKGMPAAZPMQMQ-UHFFFAOYSA-N -1 3 364.394 1.910 20 30 FDEDHM N#Cc1ccc(CNC(=O)CNc2ccc(F)c(-c3nnn[n-]3)c2)cc1 ZINC000737711892 598602420 /nfs/dbraw/zinc/60/24/20/598602420.db2.gz MTWYKUABRVHPTE-UHFFFAOYSA-N -1 3 351.345 1.606 20 30 FDEDHM N#Cc1ccc(CNC(=O)CNc2ccc(F)c(-c3nn[n-]n3)c2)cc1 ZINC000737711892 598602421 /nfs/dbraw/zinc/60/24/21/598602421.db2.gz MTWYKUABRVHPTE-UHFFFAOYSA-N -1 3 351.345 1.606 20 30 FDEDHM CN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000736821966 598690468 /nfs/dbraw/zinc/69/04/68/598690468.db2.gz JFIIHSSYNQMKKL-UHFFFAOYSA-N -1 3 372.385 1.698 20 30 FDEDHM CN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000736821966 598690470 /nfs/dbraw/zinc/69/04/70/598690470.db2.gz JFIIHSSYNQMKKL-UHFFFAOYSA-N -1 3 372.385 1.698 20 30 FDEDHM C#Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735389384 598779558 /nfs/dbraw/zinc/77/95/58/598779558.db2.gz AYRPWSJXEGKRLN-LLVKDONJSA-N -1 3 362.349 1.427 20 30 FDEDHM C#Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735389384 598779559 /nfs/dbraw/zinc/77/95/59/598779559.db2.gz AYRPWSJXEGKRLN-LLVKDONJSA-N -1 3 362.349 1.427 20 30 FDEDHM c1nc2ccc(-c3nnn[n-]3)cn2c1CN=Nc1nncc2ccccc21 ZINC000735397472 599455010 /nfs/dbraw/zinc/45/50/10/599455010.db2.gz CEBSYDQOVDGYSK-UHFFFAOYSA-N -1 3 356.353 1.904 20 30 FDEDHM c1nc2ccc(-c3nn[n-]n3)cn2c1CN=Nc1nncc2ccccc21 ZINC000735397472 599455012 /nfs/dbraw/zinc/45/50/12/599455012.db2.gz CEBSYDQOVDGYSK-UHFFFAOYSA-N -1 3 356.353 1.904 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC(C(=O)Nc2cccc(-c3nn[n-]n3)c2)CC1 ZINC000735505746 599494366 /nfs/dbraw/zinc/49/43/66/599494366.db2.gz VZYDPTOWUXLPIQ-NSHDSACASA-N -1 3 353.386 1.203 20 30 FDEDHM COc1ccc(-c2nnn[n-]2)cc1COC(=O)CNc1ccc(C#N)cc1 ZINC000821741693 607415248 /nfs/dbraw/zinc/41/52/48/607415248.db2.gz QEIWLUZSAFKBHO-UHFFFAOYSA-N -1 3 364.365 1.902 20 30 FDEDHM COc1ccc(-c2nn[n-]n2)cc1COC(=O)CNc1ccc(C#N)cc1 ZINC000821741693 607415249 /nfs/dbraw/zinc/41/52/49/607415249.db2.gz QEIWLUZSAFKBHO-UHFFFAOYSA-N -1 3 364.365 1.902 20 30 FDEDHM COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000832300012 601236646 /nfs/dbraw/zinc/23/66/46/601236646.db2.gz SXNFBOFYCUZDAL-ZMSDIMECSA-N -1 3 372.421 1.954 20 30 FDEDHM C#CCOc1ccc(C(=O)NCc2ccc(OC)c(-c3nnn[n-]3)c2)cc1 ZINC000823856070 607579342 /nfs/dbraw/zinc/57/93/42/607579342.db2.gz GZPQZBMCACJNKL-UHFFFAOYSA-N -1 3 363.377 1.817 20 30 FDEDHM C#CCOc1ccc(C(=O)NCc2ccc(OC)c(-c3nn[n-]n3)c2)cc1 ZINC000823856070 607579343 /nfs/dbraw/zinc/57/93/43/607579343.db2.gz GZPQZBMCACJNKL-UHFFFAOYSA-N -1 3 363.377 1.817 20 30 FDEDHM C=CCSCCNS(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000823936963 607599706 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CCOC(=O)Nc1ccc(NC(=O)N(C)CCC#N)cc1-c1nn[n-]n1 ZINC000825531366 607766817 /nfs/dbraw/zinc/76/68/17/607766817.db2.gz JHRKVJYYXSLKRN-UHFFFAOYSA-N -1 3 358.362 1.812 20 30 FDEDHM N#CCCN(C(=O)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccccc1 ZINC000822805973 606229117 /nfs/dbraw/zinc/22/91/17/606229117.db2.gz HLJAFTPQMOQUDY-UHFFFAOYSA-N -1 3 365.353 1.298 20 30 FDEDHM N#CCCN(C(=O)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccccc1 ZINC000822805973 606229118 /nfs/dbraw/zinc/22/91/18/606229118.db2.gz HLJAFTPQMOQUDY-UHFFFAOYSA-N -1 3 365.353 1.298 20 30 FDEDHM C[C@H](COC(=O)c1cc(C#N)c[nH]1)COC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC000820288148 606230272 /nfs/dbraw/zinc/23/02/72/606230272.db2.gz STNAIUJRDJPPIS-SECBINFHSA-N -1 3 369.341 1.044 20 30 FDEDHM C[C@H](COC(=O)c1cc(C#N)c[nH]1)COC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC000820288148 606230274 /nfs/dbraw/zinc/23/02/74/606230274.db2.gz STNAIUJRDJPPIS-SECBINFHSA-N -1 3 369.341 1.044 20 30 FDEDHM COCCN(Cc1ccc(-c2nnn[n-]2)cc1)C(=O)c1cc(C#N)c[nH]1 ZINC000821689554 606254596 /nfs/dbraw/zinc/25/45/96/606254596.db2.gz CKRAVVBGPMHJOY-UHFFFAOYSA-N -1 3 351.370 1.355 20 30 FDEDHM COCCN(Cc1ccc(-c2nn[n-]n2)cc1)C(=O)c1cc(C#N)c[nH]1 ZINC000821689554 606254597 /nfs/dbraw/zinc/25/45/97/606254597.db2.gz CKRAVVBGPMHJOY-UHFFFAOYSA-N -1 3 351.370 1.355 20 30 FDEDHM COC(=O)[C@H](OC(=O)c1ccc(C#N)s1)c1cccc(-c2nnn[n-]2)c1 ZINC000821648999 606380447 /nfs/dbraw/zinc/38/04/47/606380447.db2.gz YZQDSCLKTVZGDG-CYBMUJFWSA-N -1 3 369.362 1.871 20 30 FDEDHM COC(=O)[C@H](OC(=O)c1ccc(C#N)s1)c1cccc(-c2nn[n-]n2)c1 ZINC000821648999 606380448 /nfs/dbraw/zinc/38/04/48/606380448.db2.gz YZQDSCLKTVZGDG-CYBMUJFWSA-N -1 3 369.362 1.871 20 30 FDEDHM C=CCN1C(=O)N[C@@H](c2ccc(-c3nnn[n-]3)s2)C(C(=O)OC)=C1C ZINC000819751485 606393444 /nfs/dbraw/zinc/39/34/44/606393444.db2.gz VYOYJCQNMFCLAX-LBPRGKRZSA-N -1 3 360.399 1.628 20 30 FDEDHM C[C@H](Oc1ccccc1-c1nnn[n-]1)C(=O)OCc1ccnc(C#N)c1 ZINC000820548458 606516847 /nfs/dbraw/zinc/51/68/47/606516847.db2.gz AGDIPJKONZVMFW-NSHDSACASA-N -1 3 350.338 1.644 20 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/nfs/dbraw/zinc/99/10/63/606991063.db2.gz GUWXDVCKCMSIHK-UHFFFAOYSA-N -1 3 352.376 1.380 20 30 FDEDHM C[C@H](CC#N)N(C)CCC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820220839 607087007 /nfs/dbraw/zinc/08/70/07/607087007.db2.gz YFIUPLWKIWZJLA-SNVBAGLBSA-N -1 3 359.459 1.979 20 30 FDEDHM C[C@H](CC#N)N(C)CCC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820220839 607087009 /nfs/dbraw/zinc/08/70/09/607087009.db2.gz YFIUPLWKIWZJLA-SNVBAGLBSA-N -1 3 359.459 1.979 20 30 FDEDHM N#Cc1cccc(NC(=O)N2CCc3c(sc(N)c3-c3nnn[n-]3)C2)c1 ZINC000822837704 607102015 /nfs/dbraw/zinc/10/20/15/607102015.db2.gz SMZLPPMEVZRPMP-UHFFFAOYSA-N -1 3 366.410 1.972 20 30 FDEDHM N#Cc1cccc(NC(=O)N2CCc3c(sc(N)c3-c3nn[n-]n3)C2)c1 ZINC000822837704 607102017 /nfs/dbraw/zinc/10/20/17/607102017.db2.gz SMZLPPMEVZRPMP-UHFFFAOYSA-N -1 3 366.410 1.972 20 30 FDEDHM C[C@@H](OC(=O)C1(C#N)CCOCC1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820488246 607112624 /nfs/dbraw/zinc/11/26/24/607112624.db2.gz MIICXZNMBQMBKQ-LLVKDONJSA-N -1 3 370.369 1.057 20 30 FDEDHM C[C@@H](OC(=O)C1(C#N)CCOCC1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820488246 607112625 /nfs/dbraw/zinc/11/26/25/607112625.db2.gz MIICXZNMBQMBKQ-LLVKDONJSA-N -1 3 370.369 1.057 20 30 FDEDHM C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1c(F)cc(-c2nnn[n-]2)cc1F ZINC000824035272 607818160 /nfs/dbraw/zinc/81/81/60/607818160.db2.gz VPGNRSPBJWKGBO-MRVPVSSYSA-N -1 3 368.369 1.458 20 30 FDEDHM C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1c(F)cc(-c2nn[n-]n2)cc1F ZINC000824035272 607818161 /nfs/dbraw/zinc/81/81/61/607818161.db2.gz VPGNRSPBJWKGBO-MRVPVSSYSA-N -1 3 368.369 1.458 20 30 FDEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000826174063 607824302 /nfs/dbraw/zinc/82/43/02/607824302.db2.gz HTLAGQDHRJOVMN-NSHDSACASA-N -1 3 356.386 1.405 20 30 FDEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N(C[C@@H](C)C#N)C1CC1 ZINC000826174063 607824303 /nfs/dbraw/zinc/82/43/03/607824303.db2.gz HTLAGQDHRJOVMN-NSHDSACASA-N -1 3 356.386 1.405 20 30 FDEDHM FC(F)(F)c1ccc(N=NCc2cnc3ccc(-c4nnn[n-]4)cn23)nn1 ZINC000826368816 607843962 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COc1cccc(S([O-])=CC(=O)OCC(=O)N[C@@](C)(C#N)C(C)C)c1 ZINC000821361025 944458755 /nfs/dbraw/zinc/45/87/55/944458755.db2.gz XAMUXLUXPDTLLL-SSOJOUAXSA-N -1 3 366.439 1.400 20 30 FDEDHM C[C@@H](CC(=O)NOCC1CCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000856348078 971087551 /nfs/dbraw/zinc/08/75/51/971087551.db2.gz OORDSCUJWVDHRA-NSHDSACASA-N -1 3 351.428 1.352 20 30 FDEDHM C[C@H](OC(=O)C(C)(C)C#N)C(=O)Nc1sc2c(c1-c1nnn[n-]1)CCC2 ZINC000820481549 945462200 /nfs/dbraw/zinc/46/22/00/945462200.db2.gz XGGSCVUTAMIPPP-QMMMGPOBSA-N -1 3 374.426 1.837 20 30 FDEDHM C[C@H](OC(=O)C(C)(C)C#N)C(=O)Nc1sc2c(c1-c1nn[n-]n1)CCC2 ZINC000820481549 945462206 /nfs/dbraw/zinc/46/22/06/945462206.db2.gz XGGSCVUTAMIPPP-QMMMGPOBSA-N -1 3 374.426 1.837 20 30 FDEDHM CN(CCC#N)CC(=O)Nc1sc2c(c1-c1nnn[n-]1)CCCCC2 ZINC000821598006 945734403 /nfs/dbraw/zinc/73/44/03/945734403.db2.gz NSRXJYFWEKPCRJ-UHFFFAOYSA-N -1 3 359.459 1.981 20 30 FDEDHM CN(CCC#N)CC(=O)Nc1sc2c(c1-c1nn[n-]n1)CCCCC2 ZINC000821598006 945734411 /nfs/dbraw/zinc/73/44/11/945734411.db2.gz NSRXJYFWEKPCRJ-UHFFFAOYSA-N -1 3 359.459 1.981 20 30 FDEDHM C=CCNC(=O)CN1CCN(Cc2ccc(Br)cc2[O-])CC1 ZINC000824541477 946551291 /nfs/dbraw/zinc/55/12/91/946551291.db2.gz AKXSUVHQQYJNLU-UHFFFAOYSA-N -1 3 368.275 1.575 20 30 FDEDHM CC(C)CCN(CCC(C)C)C(=O)Cn1cnc(C#N)c1-c1nnn[n-]1 ZINC000824249917 946633231 /nfs/dbraw/zinc/63/32/31/946633231.db2.gz XNMOSBDCJSQUQQ-UHFFFAOYSA-N -1 3 358.450 1.856 20 30 FDEDHM C#CCCCCCC(=O)NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573282442 946691116 /nfs/dbraw/zinc/69/11/16/946691116.db2.gz KLIGMDSZLYEGNW-HNNXBMFYSA-N -1 3 367.457 1.788 20 30 FDEDHM C#CCCCCCC(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573282442 946691122 /nfs/dbraw/zinc/69/11/22/946691122.db2.gz KLIGMDSZLYEGNW-HNNXBMFYSA-N -1 3 367.457 1.788 20 30 FDEDHM C#CCN(C(=O)[C@@H](C)CC)C1CCN(c2ncccc2-c2nnn[n-]2)CC1 ZINC001573283496 946717009 /nfs/dbraw/zinc/71/70/09/946717009.db2.gz SKDXUNQGBRJCRD-AWEZNQCLSA-N -1 3 367.457 1.738 20 30 FDEDHM C#CCN(C(=O)[C@@H](C)CC)C1CCN(c2ncccc2-c2nn[n-]n2)CC1 ZINC001573283496 946717021 /nfs/dbraw/zinc/71/70/21/946717021.db2.gz SKDXUNQGBRJCRD-AWEZNQCLSA-N -1 3 367.457 1.738 20 30 FDEDHM C#CCCCCC(=O)N1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C[C@@H]1C ZINC001573283909 946729830 /nfs/dbraw/zinc/72/98/30/946729830.db2.gz NVFXTVCUAFTZID-ZFWWWQNUSA-N -1 3 353.430 1.857 20 30 FDEDHM C#CCCCCC(=O)N1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C[C@@H]1C ZINC001573283909 946729842 /nfs/dbraw/zinc/72/98/42/946729842.db2.gz NVFXTVCUAFTZID-ZFWWWQNUSA-N -1 3 353.430 1.857 20 30 FDEDHM C#CCO[C@H](C)C(=O)N1CCC(C)(Nc2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573285125 946769052 /nfs/dbraw/zinc/76/90/52/946769052.db2.gz DJPVVIDEGKIJQZ-CYBMUJFWSA-N -1 3 369.429 1.093 20 30 FDEDHM C#CCO[C@H](C)C(=O)N1CCC(C)(Nc2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573285125 946769059 /nfs/dbraw/zinc/76/90/59/946769059.db2.gz DJPVVIDEGKIJQZ-CYBMUJFWSA-N -1 3 369.429 1.093 20 30 FDEDHM C#Cc1ccc(C(=O)NC[C@H]2CCN2Cc2cccc(-c3nn[n-]n3)c2)nc1 ZINC001573288717 946876461 /nfs/dbraw/zinc/87/64/61/946876461.db2.gz SOPATHFUUOEFCC-QGZVFWFLSA-N -1 3 373.420 1.247 20 30 FDEDHM C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573561147 946960219 /nfs/dbraw/zinc/96/02/19/946960219.db2.gz IWDDBAXTBHKGSH-MWLCHTKSSA-N -1 3 360.809 1.112 20 30 FDEDHM C[C@H](C#N)C(=O)N(C)[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573561147 946960222 /nfs/dbraw/zinc/96/02/22/946960222.db2.gz IWDDBAXTBHKGSH-MWLCHTKSSA-N -1 3 360.809 1.112 20 30 FDEDHM CC(C)N(CCN(C)c1ncc(-c2nnn[n-]2)cc1F)C(=O)[C@H](C)C#N ZINC001573562661 946976794 /nfs/dbraw/zinc/97/67/94/946976794.db2.gz VPBUCHFDFCLFMY-LLVKDONJSA-N -1 3 360.397 1.234 20 30 FDEDHM CC(C)N(CCN(C)c1ncc(-c2nn[n-]n2)cc1F)C(=O)[C@H](C)C#N ZINC001573562661 946976800 /nfs/dbraw/zinc/97/68/00/946976800.db2.gz VPBUCHFDFCLFMY-LLVKDONJSA-N -1 3 360.397 1.234 20 30 FDEDHM C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573294348 946984730 /nfs/dbraw/zinc/98/47/30/946984730.db2.gz CTMCCDVVBVMRRO-MRVPVSSYSA-N -1 3 365.825 1.208 20 30 FDEDHM C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)NC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573294348 946984735 /nfs/dbraw/zinc/98/47/35/946984735.db2.gz CTMCCDVVBVMRRO-MRVPVSSYSA-N -1 3 365.825 1.208 20 30 FDEDHM C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573295917 947030827 /nfs/dbraw/zinc/03/08/27/947030827.db2.gz XHSICFPOHXWNCO-ZDUSSCGKSA-N -1 3 363.853 1.874 20 30 FDEDHM C=C(Cl)CN(C)C[C@@H]1CCCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573295917 947030817 /nfs/dbraw/zinc/03/08/17/947030817.db2.gz XHSICFPOHXWNCO-ZDUSSCGKSA-N -1 3 363.853 1.874 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573567166 947038689 /nfs/dbraw/zinc/03/86/89/947038689.db2.gz JEJLDMMKOMGXBC-CHWSQXEVSA-N -1 3 354.418 1.096 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCC[C@H](CN(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573567166 947038700 /nfs/dbraw/zinc/03/87/00/947038700.db2.gz JEJLDMMKOMGXBC-CHWSQXEVSA-N -1 3 354.418 1.096 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573567408 947044046 /nfs/dbraw/zinc/04/40/46/947044046.db2.gz MSRNXPRGRWHYLR-RYUDHWBXSA-N -1 3 357.393 1.958 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573567408 947044056 /nfs/dbraw/zinc/04/40/56/947044056.db2.gz MSRNXPRGRWHYLR-RYUDHWBXSA-N -1 3 357.393 1.958 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nnn[n-]4)nc3)C2)C1 ZINC001573568148 947067636 /nfs/dbraw/zinc/06/76/36/947067636.db2.gz YLALDBAWFZXRJS-SCLBCKFNSA-N -1 3 366.429 1.240 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)nc3)C2)C1 ZINC001573568148 947067657 /nfs/dbraw/zinc/06/76/57/947067657.db2.gz YLALDBAWFZXRJS-SCLBCKFNSA-N -1 3 366.429 1.240 20 30 FDEDHM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573569547 947073547 /nfs/dbraw/zinc/07/35/47/947073547.db2.gz AWVUVNOSWIQCMN-VBHSOAQHSA-N -1 3 366.429 1.462 20 30 FDEDHM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573569547 947073558 /nfs/dbraw/zinc/07/35/58/947073558.db2.gz AWVUVNOSWIQCMN-VBHSOAQHSA-N -1 3 366.429 1.462 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H](C)C1CN(Cc2ccc(-c3nnn[n-]3)c(F)c2)C1 ZINC001573570772 947093590 /nfs/dbraw/zinc/09/35/90/947093590.db2.gz TUDRSBKRGPDBPW-QWRGUYRKSA-N -1 3 357.393 1.102 20 30 FDEDHM C=C(C)CCC(=O)N1C[C@H]2CN(c3ccc(-c4nnn[n-]4)cn3)C[C@H]2C1 ZINC001573300393 947111074 /nfs/dbraw/zinc/11/10/74/947111074.db2.gz PILZHOGNLIWCDK-GASCZTMLSA-N -1 3 353.430 1.513 20 30 FDEDHM C=C(C)CCC(=O)N1C[C@H]2CN(c3ccc(-c4nn[n-]n4)cn3)C[C@H]2C1 ZINC001573300393 947111081 /nfs/dbraw/zinc/11/10/81/947111081.db2.gz PILZHOGNLIWCDK-GASCZTMLSA-N -1 3 353.430 1.513 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@H](CNc1ncccc1-c1nnn[n-]1)C1CCCCC1 ZINC001573574473 947130183 /nfs/dbraw/zinc/13/01/83/947130183.db2.gz SCPQYJARZCBJSR-IUODEOHRSA-N -1 3 368.445 1.898 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@H](CNc1ncccc1-c1nn[n-]n1)C1CCCCC1 ZINC001573574473 947130187 /nfs/dbraw/zinc/13/01/87/947130187.db2.gz SCPQYJARZCBJSR-IUODEOHRSA-N -1 3 368.445 1.898 20 30 FDEDHM C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573301321 947135680 /nfs/dbraw/zinc/13/56/80/947135680.db2.gz YCIQTKNEYGVFBN-GFCCVEGCSA-N -1 3 371.445 1.518 20 30 FDEDHM C=CC(C)(C)C(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573301321 947135682 /nfs/dbraw/zinc/13/56/82/947135682.db2.gz YCIQTKNEYGVFBN-GFCCVEGCSA-N -1 3 371.445 1.518 20 30 FDEDHM C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)cn1 ZINC001573577160 947161635 /nfs/dbraw/zinc/16/16/35/947161635.db2.gz MYTXXRYTJSDFKF-GXTWGEPZSA-N -1 3 368.445 1.533 20 30 FDEDHM C[C@@H](C#N)C(=O)NC[C@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)cn1 ZINC001573577160 947161641 /nfs/dbraw/zinc/16/16/41/947161641.db2.gz MYTXXRYTJSDFKF-GXTWGEPZSA-N -1 3 368.445 1.533 20 30 FDEDHM C[C@@H](C#N)C(=O)NC[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573583545 947204858 /nfs/dbraw/zinc/20/48/58/947204858.db2.gz MXRXMEQCQBSHSS-VHSXEESVSA-N -1 3 360.809 1.017 20 30 FDEDHM C[C@@H](C#N)C(=O)NC[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573583545 947204865 /nfs/dbraw/zinc/20/48/65/947204865.db2.gz MXRXMEQCQBSHSS-VHSXEESVSA-N -1 3 360.809 1.017 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ncccc1-c1nnn[n-]1 ZINC001573584855 947237099 /nfs/dbraw/zinc/23/70/99/947237099.db2.gz GRTFKBIUQWACDV-HFBAOOFYSA-N -1 3 374.408 1.615 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ncccc1-c1nn[n-]n1 ZINC001573584855 947237111 /nfs/dbraw/zinc/23/71/11/947237111.db2.gz GRTFKBIUQWACDV-HFBAOOFYSA-N -1 3 374.408 1.615 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)cn1 ZINC001573585729 947264699 /nfs/dbraw/zinc/26/46/99/947264699.db2.gz VQMRKERKFNJFLM-RGYTYGDFSA-N -1 3 374.408 1.615 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)cn1 ZINC001573585729 947264710 /nfs/dbraw/zinc/26/47/10/947264710.db2.gz VQMRKERKFNJFLM-RGYTYGDFSA-N -1 3 374.408 1.615 20 30 FDEDHM C=C[C@@H](CC)CC(=O)NC[C@H](CO)Nc1ccc(-c2nnn[n-]2)c(C)n1 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C=CCn1c(C)nnc1S[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000735442778 599010720 /nfs/dbraw/zinc/01/07/20/599010720.db2.gz JTMPYCJLIDYXNE-GFCCVEGCSA-N -1 3 356.415 1.271 20 30 FDEDHM C=CCn1c(C)nnc1S[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000735442778 599010721 /nfs/dbraw/zinc/01/07/21/599010721.db2.gz JTMPYCJLIDYXNE-GFCCVEGCSA-N -1 3 356.415 1.271 20 30 FDEDHM N#CCc1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000737698052 599121165 /nfs/dbraw/zinc/12/11/65/599121165.db2.gz SUNRRZSVQWNYAH-OAHLLOKOSA-N -1 3 362.349 1.316 20 30 FDEDHM N#CCc1cccc(C(=O)O[C@@H](C(N)=O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000737698052 599121166 /nfs/dbraw/zinc/12/11/66/599121166.db2.gz SUNRRZSVQWNYAH-OAHLLOKOSA-N -1 3 362.349 1.316 20 30 FDEDHM COc1ccc(C=NN2C(=O)NC3(CCCCC3)C2=O)cc1-c1nnn[n-]1 ZINC000737081619 599126107 /nfs/dbraw/zinc/12/61/07/599126107.db2.gz PXMKHFFVCNBFGB-UHFFFAOYSA-N -1 3 369.385 1.464 20 30 FDEDHM COc1ccc(C=NN2C(=O)NC3(CCCCC3)C2=O)cc1-c1nn[n-]n1 ZINC000737081619 599126109 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CCN(C[C@@H](C)C#N)C(=O)CCCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000821169758 607299166 /nfs/dbraw/zinc/29/91/66/607299166.db2.gz CTNLASZEFJSBCN-ZDUSSCGKSA-N -1 3 369.429 1.984 20 30 FDEDHM CCN(C[C@@H](C)C#N)C(=O)CCCC(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000821169758 607299167 /nfs/dbraw/zinc/29/91/67/607299167.db2.gz CTNLASZEFJSBCN-ZDUSSCGKSA-N -1 3 369.429 1.984 20 30 FDEDHM C=CCNc1ncc(C(=O)NCCNc2ccc(-c3nnn[n-]3)cn2)s1 ZINC000819750624 607323717 /nfs/dbraw/zinc/32/37/17/607323717.db2.gz HSYLKTKUMSRWQM-UHFFFAOYSA-N -1 3 371.430 1.158 20 30 FDEDHM C=CCNc1ncc(C(=O)NCCNc2ccc(-c3nn[n-]n3)cn2)s1 ZINC000819750624 607323718 /nfs/dbraw/zinc/32/37/18/607323718.db2.gz HSYLKTKUMSRWQM-UHFFFAOYSA-N -1 3 371.430 1.158 20 30 FDEDHM N#Cc1ccccc1N1CCN(c2nc3c(cc2-c2nnn[n-]2)CCC3)CC1 ZINC000737727406 598244672 /nfs/dbraw/zinc/24/46/72/598244672.db2.gz KPKXFYKHKAOXMP-UHFFFAOYSA-N -1 3 372.436 1.949 20 30 FDEDHM N#Cc1ccccc1N1CCN(c2nc3c(cc2-c2nn[n-]n2)CCC3)CC1 ZINC000737727406 598244673 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C=CCCC(=O)NCCCc1nn(-c2ccccc2)c(N)c1-c1nn[n-]n1 ZINC000735408853 598329756 /nfs/dbraw/zinc/32/97/56/598329756.db2.gz SINRAOOHXZLECZ-UHFFFAOYSA-N -1 3 366.429 1.650 20 30 FDEDHM Cc1cc(N2CCO[C@@H](C#N)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737270740 598364340 /nfs/dbraw/zinc/36/43/40/598364340.db2.gz GTSIBTXJBDWUIH-LBPRGKRZSA-N -1 3 360.381 1.705 20 30 FDEDHM Cc1cc(N2CCO[C@@H](C#N)C2)n2c3ccccc3nc2c1-c1nn[n-]n1 ZINC000737270740 598364341 /nfs/dbraw/zinc/36/43/41/598364341.db2.gz GTSIBTXJBDWUIH-LBPRGKRZSA-N -1 3 360.381 1.705 20 30 FDEDHM N#Cc1cccnc1N1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC000737727228 598388635 /nfs/dbraw/zinc/38/86/35/598388635.db2.gz HGPMHMRHRKPZMC-UHFFFAOYSA-N -1 3 367.804 1.508 20 30 FDEDHM N#Cc1cccnc1N1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC000737727228 598388636 /nfs/dbraw/zinc/38/86/36/598388636.db2.gz HGPMHMRHRKPZMC-UHFFFAOYSA-N -1 3 367.804 1.508 20 30 FDEDHM N#Cc1cnc(N2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)c(Cl)c1 ZINC000737728683 598391482 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/nfs/dbraw/zinc/90/70/73/606907073.db2.gz QQKBQXWKDMRWQT-LJQANCHMSA-N -1 3 373.376 1.706 20 30 FDEDHM C[C@]1(c2ccc(C#N)cc2)NC(=O)N(Cc2ccccc2-c2nn[n-]n2)C1=O ZINC000820628931 606907075 /nfs/dbraw/zinc/90/70/75/606907075.db2.gz QQKBQXWKDMRWQT-LJQANCHMSA-N -1 3 373.376 1.706 20 30 FDEDHM C=CCn1c(Sc2ccc(-c3nnn[n-]3)cn2)nnc1-c1cnccn1 ZINC000819765047 607035919 /nfs/dbraw/zinc/03/59/19/607035919.db2.gz MNPLVWNZRDIWJB-UHFFFAOYSA-N -1 3 364.398 1.647 20 30 FDEDHM C=CCn1c(Sc2ccc(-c3nn[n-]n3)cn2)nnc1-c1cnccn1 ZINC000819765047 607035920 /nfs/dbraw/zinc/03/59/20/607035920.db2.gz MNPLVWNZRDIWJB-UHFFFAOYSA-N -1 3 364.398 1.647 20 30 FDEDHM O=S(=O)(NN=Cc1c[nH]c2ccc(-c3nnn[n-]3)cc12)c1ccccc1 ZINC000823583417 607146661 /nfs/dbraw/zinc/14/66/61/607146661.db2.gz QGIADPQEAXXIST-UHFFFAOYSA-N -1 3 367.394 1.660 20 30 FDEDHM O=S(=O)(NN=Cc1c[nH]c2ccc(-c3nn[n-]n3)cc12)c1ccccc1 ZINC000823583417 607146662 /nfs/dbraw/zinc/14/66/62/607146662.db2.gz QGIADPQEAXXIST-UHFFFAOYSA-N -1 3 367.394 1.660 20 30 FDEDHM CCOc1ccccc1NC(=O)[C@@H](C#N)C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC000825654108 607776478 /nfs/dbraw/zinc/77/64/78/607776478.db2.gz OOBIYBPDIOPIRH-JTQLQIEISA-N -1 3 365.353 1.555 20 30 FDEDHM C[C@H](C#N)CN(C1CC1)S(=O)(=O)c1ccc(Cl)cc1-c1nnn[n-]1 ZINC000824034693 607818342 /nfs/dbraw/zinc/81/83/42/607818342.db2.gz MWVOCPVFXKQIME-SECBINFHSA-N -1 3 366.834 1.833 20 30 FDEDHM C#CCN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CCCCC1 ZINC000823845353 607827768 /nfs/dbraw/zinc/82/77/68/607827768.db2.gz OZMLLAVWUDIXGR-UHFFFAOYSA-N -1 3 373.482 1.908 20 30 FDEDHM C#CCN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CCCCC1 ZINC000823845353 607827769 /nfs/dbraw/zinc/82/77/69/607827769.db2.gz OZMLLAVWUDIXGR-UHFFFAOYSA-N -1 3 373.482 1.908 20 30 FDEDHM Cc1cc(-c2nnn[n-]2)ccc1S(=O)(=O)N[C@@H](C#N)C1CCCCC1 ZINC000826256078 607881526 /nfs/dbraw/zinc/88/15/26/607881526.db2.gz UIXUNNCGQJKYMK-AWEZNQCLSA-N -1 3 360.443 1.926 20 30 FDEDHM Cc1cc(-c2nn[n-]n2)ccc1S(=O)(=O)N[C@@H](C#N)C1CCCCC1 ZINC000826256078 607881527 /nfs/dbraw/zinc/88/15/27/607881527.db2.gz UIXUNNCGQJKYMK-AWEZNQCLSA-N -1 3 360.443 1.926 20 30 FDEDHM C#CCOCCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000823850293 607884662 /nfs/dbraw/zinc/88/46/62/607884662.db2.gz NAWHZXPRLRAJGA-UHFFFAOYSA-N -1 3 367.331 1.798 20 30 FDEDHM C#CCOCCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000823850293 607884663 /nfs/dbraw/zinc/88/46/63/607884663.db2.gz NAWHZXPRLRAJGA-UHFFFAOYSA-N -1 3 367.331 1.798 20 30 FDEDHM C=C(C)[C@@H](CC(=O)N1CCN(c2ccccc2-c2nnn[n-]2)CC1)OCC ZINC000823874348 607892890 /nfs/dbraw/zinc/89/28/90/607892890.db2.gz VLDCWFSCBLTHFM-QGZVFWFLSA-N -1 3 370.457 1.887 20 30 FDEDHM C=C(C)[C@@H](CC(=O)N1CCN(c2ccccc2-c2nn[n-]n2)CC1)OCC ZINC000823874348 607892891 /nfs/dbraw/zinc/89/28/91/607892891.db2.gz VLDCWFSCBLTHFM-QGZVFWFLSA-N -1 3 370.457 1.887 20 30 FDEDHM C#CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nnn[n-]2)cc1)c1ccccc1 ZINC000823837331 607944414 /nfs/dbraw/zinc/94/44/14/607944414.db2.gz BRVSSFLNHRJRDM-MRXNPFEDSA-N -1 3 360.377 1.686 20 30 FDEDHM C#CC[C@@H](NC(=O)C(=O)Nc1ccc(-c2nn[n-]n2)cc1)c1ccccc1 ZINC000823837331 607944415 /nfs/dbraw/zinc/94/44/15/607944415.db2.gz BRVSSFLNHRJRDM-MRXNPFEDSA-N -1 3 360.377 1.686 20 30 FDEDHM N#Cc1cccc([C@@H]2CN(C(=O)Cc3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826386720 608085178 /nfs/dbraw/zinc/08/51/78/608085178.db2.gz PYXKTISWWUXGSJ-SFHVURJKSA-N -1 3 374.404 1.881 20 30 FDEDHM N#Cc1cccc([C@@H]2CN(C(=O)Cc3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826386720 608085179 /nfs/dbraw/zinc/08/51/79/608085179.db2.gz PYXKTISWWUXGSJ-SFHVURJKSA-N -1 3 374.404 1.881 20 30 FDEDHM CC(=NNc1ccc(S(N)(=O)=O)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823958466 608091617 /nfs/dbraw/zinc/09/16/17/608091617.db2.gz OANRBCUVIGRUBR-UHFFFAOYSA-N -1 3 363.428 1.412 20 30 FDEDHM C[C@]1(C#N)CCCN(CCS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824779312 608125936 /nfs/dbraw/zinc/12/59/36/608125936.db2.gz UGIYQSDULKXLTI-MRXNPFEDSA-N -1 3 360.443 1.266 20 30 FDEDHM C[C@]1(C#N)CCCN(CCS(=O)(=O)c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824779312 608125937 /nfs/dbraw/zinc/12/59/37/608125937.db2.gz UGIYQSDULKXLTI-MRXNPFEDSA-N -1 3 360.443 1.266 20 30 FDEDHM C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nnn[n-]3)c2)C1 ZINC000824779396 608144572 /nfs/dbraw/zinc/14/45/72/608144572.db2.gz VBACWIQMBLAKBU-INIZCTEOSA-N -1 3 373.804 1.611 20 30 FDEDHM C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(Cl)c(-c3nn[n-]n3)c2)C1 ZINC000824779396 608144573 /nfs/dbraw/zinc/14/45/73/608144573.db2.gz VBACWIQMBLAKBU-INIZCTEOSA-N -1 3 373.804 1.611 20 30 FDEDHM N#C[C@H]1CSCCN1S(=O)(=O)c1ccc(Cl)c(-c2nnn[n-]2)c1 ZINC000282075257 608422882 /nfs/dbraw/zinc/42/28/82/608422882.db2.gz YRCJTYRLMZQWKX-QMMMGPOBSA-N -1 3 370.847 1.150 20 30 FDEDHM N#C[C@H]1CSCCN1S(=O)(=O)c1ccc(Cl)c(-c2nn[n-]n2)c1 ZINC000282075257 608422884 /nfs/dbraw/zinc/42/28/84/608422884.db2.gz YRCJTYRLMZQWKX-QMMMGPOBSA-N -1 3 370.847 1.150 20 30 FDEDHM C=CC[C@@H](CO)CNC(=O)Nc1cc(-c2nnn[n-]2)ccc1OC(C)C ZINC000823888590 608476883 /nfs/dbraw/zinc/47/68/83/608476883.db2.gz RDUQCYVKCGUHEM-GFCCVEGCSA-N -1 3 360.418 1.960 20 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/nfs/dbraw/zinc/55/70/72/608557072.db2.gz GCXMSBMUSHWDLY-UHFFFAOYSA-N -1 3 363.385 1.725 20 30 FDEDHM N#Cc1nccnc1NC1CCC(Oc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000826388033 608557073 /nfs/dbraw/zinc/55/70/73/608557073.db2.gz GCXMSBMUSHWDLY-UHFFFAOYSA-N -1 3 363.385 1.725 20 30 FDEDHM N#CCCN(CCN1CCOCC1)Cc1cccc(-c2nnn[n-]2)c1F ZINC000826381466 608652911 /nfs/dbraw/zinc/65/29/11/608652911.db2.gz MYILLYYOTADCHZ-UHFFFAOYSA-N -1 3 359.409 1.054 20 30 FDEDHM N#CCCN(CCN1CCOCC1)Cc1cccc(-c2nn[n-]n2)c1F ZINC000826381466 608652912 /nfs/dbraw/zinc/65/29/12/608652912.db2.gz MYILLYYOTADCHZ-UHFFFAOYSA-N -1 3 359.409 1.054 20 30 FDEDHM N#CC1(C(=O)N[C@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)CCC1 ZINC000826380303 609134504 /nfs/dbraw/zinc/13/45/04/609134504.db2.gz VAFNDFAUFARGGP-AWEZNQCLSA-N -1 3 365.397 1.172 20 30 FDEDHM N#CC1(C(=O)N[C@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)CCC1 ZINC000826380303 609134505 /nfs/dbraw/zinc/13/45/05/609134505.db2.gz VAFNDFAUFARGGP-AWEZNQCLSA-N -1 3 365.397 1.172 20 30 FDEDHM COc1cc(-c2nnn[n-]2)ccc1OCC(=O)N1CCC(C)(C#N)CC1 ZINC000826174494 609174271 /nfs/dbraw/zinc/17/42/71/609174271.db2.gz YZYWCFOSYGRLDQ-UHFFFAOYSA-N -1 3 356.386 1.406 20 30 FDEDHM COc1cc(-c2nn[n-]n2)ccc1OCC(=O)N1CCC(C)(C#N)CC1 ZINC000826174494 609174272 /nfs/dbraw/zinc/17/42/72/609174272.db2.gz YZYWCFOSYGRLDQ-UHFFFAOYSA-N -1 3 356.386 1.406 20 30 FDEDHM N#CCCN(Cc1cccnc1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826381185 609213854 /nfs/dbraw/zinc/21/38/54/609213854.db2.gz APUKWUNJCGLPEN-INIZCTEOSA-N -1 3 363.381 1.238 20 30 FDEDHM N#CCCN(Cc1cccnc1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826381185 609213855 /nfs/dbraw/zinc/21/38/55/609213855.db2.gz APUKWUNJCGLPEN-INIZCTEOSA-N -1 3 363.381 1.238 20 30 FDEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823915555 609214341 /nfs/dbraw/zinc/21/43/41/609214341.db2.gz ZUCPSHGQPCLKPC-SFHVURJKSA-N -1 3 374.404 1.987 20 30 FDEDHM C=CCN(Cc1cccc(C#N)c1)C(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823915555 609214343 /nfs/dbraw/zinc/21/43/43/609214343.db2.gz ZUCPSHGQPCLKPC-SFHVURJKSA-N -1 3 374.404 1.987 20 30 FDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)N1CC[C@H](C)C1 ZINC000823914129 609315722 /nfs/dbraw/zinc/31/57/22/609315722.db2.gz AWEKUQGSZXYZLV-ZDUSSCGKSA-N -1 3 362.459 1.441 20 30 FDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)N1CC[C@H](C)C1 ZINC000823914129 609315723 /nfs/dbraw/zinc/31/57/23/609315723.db2.gz AWEKUQGSZXYZLV-ZDUSSCGKSA-N -1 3 362.459 1.441 20 30 FDEDHM C[C@H](C#N)CNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000824034712 609411573 /nfs/dbraw/zinc/41/15/73/609411573.db2.gz NPVQXZGWMHBPMV-CYBMUJFWSA-N -1 3 354.418 1.248 20 30 FDEDHM C[C@H](C#N)CNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000824034712 609411574 /nfs/dbraw/zinc/41/15/74/609411574.db2.gz NPVQXZGWMHBPMV-CYBMUJFWSA-N -1 3 354.418 1.248 20 30 FDEDHM CC(C)(C)OC(=O)CCCSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000824099442 609482558 /nfs/dbraw/zinc/48/25/58/609482558.db2.gz GGPOJCNAFZVQPM-UHFFFAOYSA-N -1 3 361.431 1.930 20 30 FDEDHM CC(C)(C)OC(=O)CCCSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000824099442 609482561 /nfs/dbraw/zinc/48/25/61/609482561.db2.gz GGPOJCNAFZVQPM-UHFFFAOYSA-N -1 3 361.431 1.930 20 30 FDEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825399409 609541139 /nfs/dbraw/zinc/54/11/39/609541139.db2.gz SEHQHEISGHKGNM-VIFPVBQESA-N -1 3 354.823 1.690 20 30 FDEDHM CCN(C[C@@H](C)C#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825399409 609541141 /nfs/dbraw/zinc/54/11/41/609541141.db2.gz SEHQHEISGHKGNM-VIFPVBQESA-N -1 3 354.823 1.690 20 30 FDEDHM C#CCSCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000823862152 609548935 /nfs/dbraw/zinc/54/89/35/609548935.db2.gz YTSGOHKERKQLME-UHFFFAOYSA-N -1 3 357.848 1.165 20 30 FDEDHM C#CCSCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000823862152 609548937 /nfs/dbraw/zinc/54/89/37/609548937.db2.gz YTSGOHKERKQLME-UHFFFAOYSA-N -1 3 357.848 1.165 20 30 FDEDHM CC1(C#N)CCN(S(=O)(=O)c2ccc(Cl)cc2-c2nnn[n-]2)CC1 ZINC000824779308 609578460 /nfs/dbraw/zinc/57/84/60/609578460.db2.gz UFWHVYVXDZDRNK-UHFFFAOYSA-N -1 3 366.834 1.834 20 30 FDEDHM C[C@@H]1OCC[C@@H]1S(=O)(=O)[N-][C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000276138866 674711701 /nfs/dbraw/zinc/71/17/01/674711701.db2.gz BXCSUJDTERFJTJ-RCBQFDQVSA-N -1 3 363.439 1.150 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2cccnc2OC)ccc1F ZINC000045933175 670985864 /nfs/dbraw/zinc/98/58/64/670985864.db2.gz WPEKSYZFYPMOGA-UHFFFAOYSA-N -1 3 365.386 1.946 20 30 FDEDHM N#CC1(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]C3CC3)c2)CCCC1 ZINC000104525164 671597036 /nfs/dbraw/zinc/59/70/36/671597036.db2.gz FCYVJCWFMXLHBG-UHFFFAOYSA-N -1 3 351.403 1.833 20 30 FDEDHM CS(=O)(=O)N1CCC[C@@H]1C/N=C/c1cc(Br)ccc1[O-] ZINC000133104347 671818670 /nfs/dbraw/zinc/81/86/70/671818670.db2.gz UMMXRPOISCXOAW-AZZDOICSSA-N -1 3 361.261 1.998 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2CCCC[C@H]2O)ccc1F ZINC000152181899 671878688 /nfs/dbraw/zinc/87/86/88/671878688.db2.gz SIGBKOJLCCVESL-UONOGXRCSA-N -1 3 356.419 1.323 20 30 FDEDHM 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C[C@@H](C#N)C(=O)N(C)C1CCC(Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573562699 946979310 /nfs/dbraw/zinc/97/93/10/946979310.db2.gz WKVYFJGXVLOJOM-PKSQDBQZSA-N -1 3 372.408 1.742 20 30 FDEDHM C[C@H](C#N)C(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2nn[n-]n2)cc1F ZINC001573564485 946994814 /nfs/dbraw/zinc/99/48/14/946994814.db2.gz JFDILUNVEXTANA-DFBGVHRSSA-N -1 3 369.404 1.341 20 30 FDEDHM C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573294733 946997624 /nfs/dbraw/zinc/99/76/24/946997624.db2.gz KDXOFNPMANYFJK-MRVPVSSYSA-N -1 3 365.825 1.208 20 30 FDEDHM C=C(Cl)C(C)(C)C(=O)NC[C@@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573294733 946997627 /nfs/dbraw/zinc/99/76/27/946997627.db2.gz KDXOFNPMANYFJK-MRVPVSSYSA-N -1 3 365.825 1.208 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCC(CNc2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573565878 947018730 /nfs/dbraw/zinc/01/87/30/947018730.db2.gz XGVJKAPQTUMZNV-LLVKDONJSA-N -1 3 357.393 1.816 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCC(CNc2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573565878 947018738 /nfs/dbraw/zinc/01/87/38/947018738.db2.gz XGVJKAPQTUMZNV-LLVKDONJSA-N -1 3 357.393 1.816 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCC[C@@H](CNc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573566378 947024060 /nfs/dbraw/zinc/02/40/60/947024060.db2.gz BRGQMWUUFXVPPO-MNOVXSKESA-N -1 3 374.836 1.725 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCC[C@@H](CNc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573566378 947024071 /nfs/dbraw/zinc/02/40/71/947024071.db2.gz BRGQMWUUFXVPPO-MNOVXSKESA-N -1 3 374.836 1.725 20 30 FDEDHM C=C1CCC(C(=O)NC[C@H](C)N(C)c2ncccc2-c2nnn[n-]2)CC1 ZINC001573296083 947037755 /nfs/dbraw/zinc/03/77/55/947037755.db2.gz KDKDBJMKQMZPPV-ZDUSSCGKSA-N -1 3 355.446 1.949 20 30 FDEDHM C=C1CCC(C(=O)NC[C@H](C)N(C)c2ncccc2-c2nn[n-]n2)CC1 ZINC001573296083 947037764 /nfs/dbraw/zinc/03/77/64/947037764.db2.gz KDKDBJMKQMZPPV-ZDUSSCGKSA-N -1 3 355.446 1.949 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573567410 947044013 /nfs/dbraw/zinc/04/40/13/947044013.db2.gz MSRNXPRGRWHYLR-VXGBXAGGSA-N -1 3 357.393 1.958 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573567410 947044023 /nfs/dbraw/zinc/04/40/23/947044023.db2.gz MSRNXPRGRWHYLR-VXGBXAGGSA-N -1 3 357.393 1.958 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCCO[C@H](CNc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573567551 947046605 /nfs/dbraw/zinc/04/66/05/947046605.db2.gz OGWVMCUPBHOZLI-VXGBXAGGSA-N -1 3 373.392 1.195 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCCO[C@H](CNc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573567551 947046616 /nfs/dbraw/zinc/04/66/16/947046616.db2.gz OGWVMCUPBHOZLI-VXGBXAGGSA-N -1 3 373.392 1.195 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573568033 947062447 /nfs/dbraw/zinc/06/24/47/947062447.db2.gz WOKXOHYGEOURCI-NWDGAFQWSA-N -1 3 357.393 1.593 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC[C@@H](N(C)c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573568033 947062454 /nfs/dbraw/zinc/06/24/54/947062454.db2.gz WOKXOHYGEOURCI-NWDGAFQWSA-N -1 3 357.393 1.593 20 30 FDEDHM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573569599 947072381 /nfs/dbraw/zinc/07/23/81/947072381.db2.gz CDDQCSSCFFHLCL-VBHSOAQHSA-N -1 3 366.429 1.462 20 30 FDEDHM C[C@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573569599 947072395 /nfs/dbraw/zinc/07/23/95/947072395.db2.gz CDDQCSSCFFHLCL-VBHSOAQHSA-N -1 3 366.429 1.462 20 30 FDEDHM C=C(C)C[C@@H](C)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)C(C)C ZINC001573298499 947076991 /nfs/dbraw/zinc/07/69/91/947076991.db2.gz FCQPKGYCOCWZFN-IUODEOHRSA-N -1 3 373.461 1.668 20 30 FDEDHM C=C(C)C[C@@H](C)C(=O)N[C@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)C(C)C ZINC001573298499 947077002 /nfs/dbraw/zinc/07/70/02/947077002.db2.gz FCQPKGYCOCWZFN-IUODEOHRSA-N -1 3 373.461 1.668 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H](CNc1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573571905 947105047 /nfs/dbraw/zinc/10/50/47/947105047.db2.gz BJHYEFGVDJPEHC-UFBFGSQYSA-N -1 3 360.809 1.381 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H](CNc1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573571905 947105052 /nfs/dbraw/zinc/10/50/52/947105052.db2.gz BJHYEFGVDJPEHC-UFBFGSQYSA-N -1 3 360.809 1.381 20 30 FDEDHM C[C@H](C#N)C(=O)NC1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC001573571991 947107094 /nfs/dbraw/zinc/10/70/94/947107094.db2.gz CQCKGXSFPKKCRV-SNVBAGLBSA-N -1 3 374.836 1.916 20 30 FDEDHM C[C@H](C#N)C(=O)NC1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC001573571991 947107104 /nfs/dbraw/zinc/10/71/04/947107104.db2.gz CQCKGXSFPKKCRV-SNVBAGLBSA-N -1 3 374.836 1.916 20 30 FDEDHM C[C@@H](C#N)C(=O)NC1(C2CCN(c3ccc(-c4nnn[n-]4)cn3)CC2)CC1 ZINC001573572217 947109599 /nfs/dbraw/zinc/10/95/99/947109599.db2.gz FUIXCHVNCHYOJX-LBPRGKRZSA-N -1 3 366.429 1.287 20 30 FDEDHM C[C@@H](C#N)C(=O)NC1(C2CCN(c3ccc(-c4nn[n-]n4)cn3)CC2)CC1 ZINC001573572217 947109601 /nfs/dbraw/zinc/10/96/01/947109601.db2.gz FUIXCHVNCHYOJX-LBPRGKRZSA-N -1 3 366.429 1.287 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(c1cccc(F)c1-c1nnn[n-]1)CC2 ZINC001573573742 947127181 /nfs/dbraw/zinc/12/71/81/947127181.db2.gz PHSMLKCFZPCOKC-FZMZJTMJSA-N -1 3 369.404 1.641 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@H]1CC12CCN(c1cccc(F)c1-c1nn[n-]n1)CC2 ZINC001573573742 947127187 /nfs/dbraw/zinc/12/71/87/947127187.db2.gz PHSMLKCFZPCOKC-FZMZJTMJSA-N -1 3 369.404 1.641 20 30 FDEDHM C[C@H](C#N)C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573575717 947144206 /nfs/dbraw/zinc/14/42/06/947144206.db2.gz AMZAPIGLWPOWQG-GFCCVEGCSA-N -1 3 354.418 1.144 20 30 FDEDHM C[C@H](C#N)C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573575717 947144212 /nfs/dbraw/zinc/14/42/12/947144212.db2.gz AMZAPIGLWPOWQG-GFCCVEGCSA-N -1 3 354.418 1.144 20 30 FDEDHM C[C@@H](C#N)C(=O)NC[C@H]1CCCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573576206 947150151 /nfs/dbraw/zinc/15/01/51/947150151.db2.gz FCHUSJCMHWANIM-WCQYABFASA-N -1 3 372.408 1.426 20 30 FDEDHM C[C@@H](C#N)C(=O)NC[C@H]1CCCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573576206 947150157 /nfs/dbraw/zinc/15/01/57/947150157.db2.gz FCHUSJCMHWANIM-WCQYABFASA-N -1 3 372.408 1.426 20 30 FDEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nnn[n-]2)nc1 ZINC001573576761 947155693 /nfs/dbraw/zinc/15/56/93/947155693.db2.gz JIBOFUQBFXBVEP-JSGCOSHPSA-N -1 3 368.445 1.533 20 30 FDEDHM C[C@@H](C#N)C(=O)NC[C@@H]1CCC(C)(C)CN1c1ccc(-c2nn[n-]n2)nc1 ZINC001573576761 947155700 /nfs/dbraw/zinc/15/57/00/947155700.db2.gz JIBOFUQBFXBVEP-JSGCOSHPSA-N -1 3 368.445 1.533 20 30 FDEDHM C=CC(C)(C)CC(=O)NC[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573306226 947167368 /nfs/dbraw/zinc/16/73/68/947167368.db2.gz IQOFZRPZVOAHOJ-ZDUSSCGKSA-N -1 3 355.446 1.807 20 30 FDEDHM C=CC(C)(C)CC(=O)NC[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573306226 947167373 /nfs/dbraw/zinc/16/73/73/947167373.db2.gz IQOFZRPZVOAHOJ-ZDUSSCGKSA-N -1 3 355.446 1.807 20 30 FDEDHM C=C[C@@](C)(CC)C(=O)N(CCO)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573306800 947173456 /nfs/dbraw/zinc/17/34/56/947173456.db2.gz NCFBKFKMNIVEIB-SFHVURJKSA-N -1 3 373.461 1.405 20 30 FDEDHM C=C[C@@](C)(CC)C(=O)N(CCO)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573306800 947173463 /nfs/dbraw/zinc/17/34/63/947173463.db2.gz NCFBKFKMNIVEIB-SFHVURJKSA-N -1 3 373.461 1.405 20 30 FDEDHM C[C@@H](C#N)C(=O)NCCN(c1ncc(-c2nnn[n-]2)cc1Cl)C1CC1 ZINC001573581966 947186582 /nfs/dbraw/zinc/18/65/82/947186582.db2.gz BAMAUBNQMHBEFU-VIFPVBQESA-N -1 3 360.809 1.160 20 30 FDEDHM C[C@@H](C#N)C(=O)NCCN(c1ncc(-c2nn[n-]n2)cc1Cl)C1CC1 ZINC001573581966 947186592 /nfs/dbraw/zinc/18/65/92/947186592.db2.gz BAMAUBNQMHBEFU-VIFPVBQESA-N -1 3 360.809 1.160 20 30 FDEDHM C[C@@H](C#N)C(=O)NCC[C@@H]1CN(c2ncc(-c3nnn[n-]3)cc2F)C[C@H]1C ZINC001573581978 947186778 /nfs/dbraw/zinc/18/67/78/947186778.db2.gz BEINXGRGVKQEQL-QJPTWQEYSA-N -1 3 372.408 1.139 20 30 FDEDHM C[C@@H](C#N)C(=O)NCC[C@@H]1CN(c2ncc(-c3nn[n-]n3)cc2F)C[C@H]1C ZINC001573581978 947186788 /nfs/dbraw/zinc/18/67/88/947186788.db2.gz BEINXGRGVKQEQL-QJPTWQEYSA-N -1 3 372.408 1.139 20 30 FDEDHM C=C[C@](C)(CCOC)C(=O)N(C)[C@H](C)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573309454 947200730 /nfs/dbraw/zinc/20/07/30/947200730.db2.gz JAYRRRUVHNINIL-FZKQIMNGSA-N -1 3 373.461 1.749 20 30 FDEDHM C=C[C@](C)(CCOC)C(=O)N(C)[C@H](C)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573309454 947200744 /nfs/dbraw/zinc/20/07/44/947200744.db2.gz JAYRRRUVHNINIL-FZKQIMNGSA-N -1 3 373.461 1.749 20 30 FDEDHM CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)Nc1ncc(-c2nnn[n-]2)cc1F ZINC001573584240 947215819 /nfs/dbraw/zinc/21/58/19/947215819.db2.gz RTFVVVJATXXTRX-ZWNOBZJWSA-N -1 3 360.397 1.503 20 30 FDEDHM CC(C)[C@@H](CCNC(=O)[C@H](C)C#N)Nc1ncc(-c2nn[n-]n2)cc1F ZINC001573584240 947215827 /nfs/dbraw/zinc/21/58/27/947215827.db2.gz RTFVVVJATXXTRX-ZWNOBZJWSA-N -1 3 360.397 1.503 20 30 FDEDHM C[C@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nnn[n-]3)nc1)C2 ZINC001573584761 947232651 /nfs/dbraw/zinc/23/26/51/947232651.db2.gz DIHPQWULJPXFPA-GFCCVEGCSA-N -1 3 374.408 1.558 20 30 FDEDHM C[C@H](C#N)C(=O)NCc1ccc2c(c1)CN(c1ccc(-c3nn[n-]n3)nc1)C2 ZINC001573584761 947232660 /nfs/dbraw/zinc/23/26/60/947232660.db2.gz 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COc1cnc([C@H]2CCCN2C[C@H](O)CC2(C#N)CCOCC2)[n-]c1=O ZINC001198478474 973187670 /nfs/dbraw/zinc/18/76/70/973187670.db2.gz IJALGNQYIMAZEB-ZIAGYGMSSA-N -1 3 362.430 1.399 20 30 FDEDHM C#CC[C@@H](COC)NC(=O)c1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000863798151 973218825 /nfs/dbraw/zinc/21/88/25/973218825.db2.gz YUXTVIGPJTWILJ-ZDUSSCGKSA-N -1 3 370.446 1.671 20 30 FDEDHM C[C@@H](OC(=O)c1cc([O-])cc(C#N)c1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000776274269 975286404 /nfs/dbraw/zinc/28/64/04/975286404.db2.gz MTLDILSPFCFBNY-SNVBAGLBSA-N -1 3 353.334 1.547 20 30 FDEDHM C#Cc1cccc(NC(=O)C[N-]S(=O)(=O)CC2(OC)CCCC2)c1 ZINC000866549620 975774919 /nfs/dbraw/zinc/77/49/19/975774919.db2.gz XHNUWKBKEBSARS-UHFFFAOYSA-N -1 3 350.440 1.485 20 30 FDEDHM CCOc1ccccc1NC(=O)C(C#N)=C([O-])c1cnc(N(C)C)cn1 ZINC000847624621 975929707 /nfs/dbraw/zinc/92/97/07/975929707.db2.gz UZAZPRGRWDXMTG-LBPRGKRZSA-N -1 3 353.382 1.902 20 30 FDEDHM CN(C)c1cnc(C([O-])=C(C#N)C(=O)Nc2ccc3c(c2)OCCO3)cn1 ZINC000847626389 975930680 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20 30 FDEDHM CC(C)(C)OC(=O)NCc1cccc(C(=O)N[C@H]2CCCN([O-])C2=O)c1 ZINC000848133811 976360493 /nfs/dbraw/zinc/36/04/93/976360493.db2.gz HOTJGCLSNHFNIA-AWEZNQCLSA-N -1 3 363.414 1.821 20 30 FDEDHM O=C(N[C@H]1CCCN([O-])C1=O)[C@@H]1CCN(c2cccc(Cl)c2)C1=O ZINC000848136020 976365121 /nfs/dbraw/zinc/36/51/21/976365121.db2.gz KPTBSDRMNQIVJF-STQMWFEESA-N -1 3 351.790 1.189 20 30 FDEDHM Cc1nn(-c2ccccc2)c2nc(C(=O)N[C@H]3CCCN([O-])C3=O)ccc12 ZINC000848138278 976371724 /nfs/dbraw/zinc/37/17/24/976371724.db2.gz LVZBGRISWLMGLR-INIZCTEOSA-N -1 3 365.393 1.839 20 30 FDEDHM COCC1(CNC(=O)C[C@@H](C)/N=C2/[N-]S(=O)(=O)c3ccccc32)CC1 ZINC000848298262 976582074 /nfs/dbraw/zinc/58/20/74/976582074.db2.gz WETBOKZIUSGCBR-GFCCVEGCSA-N -1 3 365.455 1.047 20 30 FDEDHM Cc1c(C(=O)[N-]n2c(C)c(Br)c(C)c(C#N)c2=O)cnn1C ZINC000848374537 976702331 /nfs/dbraw/zinc/70/23/31/976702331.db2.gz ABIHAPPIZCRRNR-UHFFFAOYSA-N -1 3 364.203 1.525 20 30 FDEDHM C[C@@H](CC(=O)N1Cc2ccncc2C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000848382208 976708014 /nfs/dbraw/zinc/70/80/14/976708014.db2.gz CZPXVPAWVWJZLC-LBPRGKRZSA-N -1 3 370.434 1.441 20 30 FDEDHM COC(=O)c1ccc(S(=O)(=O)[N-][C@H]2Cc3ccc(C#N)cc3C2)s1 ZINC000867861168 976993451 /nfs/dbraw/zinc/99/34/51/976993451.db2.gz COZANRIQRWIPLF-ZDUSSCGKSA-N -1 3 362.432 1.852 20 30 FDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CCCC[C@H]1C1OCCO1 ZINC000110142935 978998308 /nfs/dbraw/zinc/99/83/08/978998308.db2.gz VMWWOWQTATVZBU-INIZCTEOSA-N -1 3 359.426 1.550 20 30 FDEDHM N#Cc1ccc([C@H](O)CN2CCN(C(=O)c3ccccc3[O-])CC2)cc1 ZINC000128366241 979133335 /nfs/dbraw/zinc/13/33/35/979133335.db2.gz OSUOZNAJNNZVAS-LJQANCHMSA-N -1 3 351.406 1.755 20 30 FDEDHM COC[C@H](C)n1c(C)cc(C(=O)Cn2cnc(C#N)c2-c2nnn[n-]2)c1C ZINC000826149896 979140007 /nfs/dbraw/zinc/14/00/07/979140007.db2.gz RFTZKOCADPEMKE-NSHDSACASA-N -1 3 368.401 1.444 20 30 FDEDHM CCCC[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)NC1CSC1 ZINC000880739232 979411494 /nfs/dbraw/zinc/41/14/94/979411494.db2.gz ZGRYJGHAOQJJME-CYBMUJFWSA-N -1 3 367.496 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982378023 /nfs/dbraw/zinc/37/80/23/982378023.db2.gz ISGAGVQURHGONL-UHFFFAOYSA-N -1 3 363.381 1.769 20 30 FDEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)OC[C@H]1CCC2(CCC2)O1 ZINC000883939784 982631210 /nfs/dbraw/zinc/63/12/10/982631210.db2.gz AIPSQKUYVYXERX-GFCCVEGCSA-N -1 3 364.423 1.370 20 30 FDEDHM C[N-]S(=O)(=O)c1cc(C(=O)OCCCC2(C#N)CCOCC2)c(C)o1 ZINC000800178582 982784812 /nfs/dbraw/zinc/78/48/12/982784812.db2.gz AARKFDOIIKLPLS-UHFFFAOYSA-N -1 3 370.427 1.754 20 30 FDEDHM C#CC[C@@H](COC)NC(=O)Nc1ccc([N-]S(=O)(=O)CC)c(OC)c1 ZINC000860503981 983424877 /nfs/dbraw/zinc/42/48/77/983424877.db2.gz COXSEQVSHNERMR-ZDUSSCGKSA-N -1 3 369.443 1.617 20 30 FDEDHM C#CCN(C(=O)c1cc(C(=O)[O-])nn1-c1ccccc1)C1CCN(C)CC1 ZINC001588461631 983490719 /nfs/dbraw/zinc/49/07/19/983490719.db2.gz WAKMAIGEXMMHRY-UHFFFAOYSA-N -1 3 366.421 1.740 20 30 FDEDHM C#CCN1CCC(C(=O)N[C@@H](C(=O)[O-])c2ccc(OC)cc2OC)CC1 ZINC001588471467 983506620 /nfs/dbraw/zinc/50/66/20/983506620.db2.gz PSXAGAIZGYXBNL-QGZVFWFLSA-N -1 3 360.410 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C=C(C)[C@H]1OCC[C@H]1C[N-]S(=O)(=O)c1ccc(OC)cc1[N+](=O)[O-] ZINC000280710464 537441581 /nfs/dbraw/zinc/44/15/81/537441581.db2.gz HQNAPPFVFWILLF-XHDPSFHLSA-N -1 3 356.400 1.863 20 30 FDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)NCc1nc2cccnc2[nH]1 ZINC000276458655 537524824 /nfs/dbraw/zinc/52/48/24/537524824.db2.gz IGGGGTPDJSFNMN-UHFFFAOYSA-N -1 3 350.382 1.796 20 30 FDEDHM Cn1cc([C@@H]([N-]S(=O)(=O)c2cccnc2C#N)c2ccc(F)cc2)cn1 ZINC000365498742 537537210 /nfs/dbraw/zinc/53/72/10/537537210.db2.gz YHTPDWDTFQTRBG-KRWDZBQOSA-N -1 3 371.397 1.894 20 30 FDEDHM C[C@@H]([N-]S(=O)(=O)N(C)C[C@H](C)C#N)c1nc(Cc2ccccc2)no1 ZINC000281782695 537581162 /nfs/dbraw/zinc/58/11/62/537581162.db2.gz NFTSELBOTUYZKQ-CHWSQXEVSA-N -1 3 363.443 1.647 20 30 FDEDHM C=CCS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000291789407 537676764 /nfs/dbraw/zinc/67/67/64/537676764.db2.gz XPXUUNMEKDOATC-UHFFFAOYSA-N -1 3 363.404 1.646 20 30 FDEDHM CC#CCN(C)C(=O)[C@H](CCSC)[N-]S(=O)(=O)c1ccccc1F ZINC000294351703 537686746 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/nfs/dbraw/zinc/95/26/69/598952669.db2.gz ZYUMYMAOXPZCFC-UHFFFAOYSA-N -1 3 368.422 1.868 20 30 FDEDHM Cc1ccc(C#N)cc1S(=O)(=O)N(C)Cc1ccc(-c2nn[n-]n2)cc1 ZINC000737307537 598952670 /nfs/dbraw/zinc/95/26/70/598952670.db2.gz ZYUMYMAOXPZCFC-UHFFFAOYSA-N -1 3 368.422 1.868 20 30 FDEDHM Cc1oc(NC(=O)COC(=O)c2ccc(C#N)nc2)c(-c2nnn[n-]2)c1C ZINC000737554048 599141517 /nfs/dbraw/zinc/14/15/17/599141517.db2.gz ZVTWWGFPFBHDAZ-UHFFFAOYSA-N -1 3 367.325 1.139 20 30 FDEDHM COc1cccc(NC(=O)[C@H](C#N)C(=O)c2ccc(-c3nnn[n-]3)nc2)c1 ZINC000737140996 599152507 /nfs/dbraw/zinc/15/25/07/599152507.db2.gz VFXVIWICCKQPRK-CYBMUJFWSA-N -1 3 363.337 1.231 20 30 FDEDHM N#CCOc1ccc(CC(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000822815521 599168854 /nfs/dbraw/zinc/16/88/54/599168854.db2.gz SEWFTSWHLXVTNY-UHFFFAOYSA-N -1 3 366.356 1.767 20 30 FDEDHM N#CCOc1ccc(CC(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000822815521 599168856 /nfs/dbraw/zinc/16/88/56/599168856.db2.gz SEWFTSWHLXVTNY-UHFFFAOYSA-N -1 3 366.356 1.767 20 30 FDEDHM C#CCOc1ccc(C(=O)NCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000819709285 599173113 /nfs/dbraw/zinc/17/31/13/599173113.db2.gz ATBKDKBAXANLGX-UHFFFAOYSA-N -1 3 351.341 1.948 20 30 FDEDHM C#CCOc1ccc(C(=O)NCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000819709285 599173116 /nfs/dbraw/zinc/17/31/16/599173116.db2.gz ATBKDKBAXANLGX-UHFFFAOYSA-N -1 3 351.341 1.948 20 30 FDEDHM N#Cc1cc(NC(=O)CSC[C@@H]2CCCCO2)ccc1-c1nnn[n-]1 ZINC000737708359 599196375 /nfs/dbraw/zinc/19/63/75/599196375.db2.gz FEPBWMXOHUEITG-ZDUSSCGKSA-N -1 3 358.427 1.979 20 30 FDEDHM N#Cc1cc(NC(=O)CSC[C@@H]2CCCCO2)ccc1-c1nn[n-]n1 ZINC000737708359 599196376 /nfs/dbraw/zinc/19/63/76/599196376.db2.gz FEPBWMXOHUEITG-ZDUSSCGKSA-N -1 3 358.427 1.979 20 30 FDEDHM CC(C)c1noc(CCC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)n1 ZINC000735952794 599197389 /nfs/dbraw/zinc/19/73/89/599197389.db2.gz LBUMGUSSRNRKOB-UHFFFAOYSA-N -1 3 352.358 1.816 20 30 FDEDHM CC(C)c1noc(CCC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)n1 ZINC000735952794 599197391 /nfs/dbraw/zinc/19/73/91/599197391.db2.gz LBUMGUSSRNRKOB-UHFFFAOYSA-N -1 3 352.358 1.816 20 30 FDEDHM C=CC[C@@H](C)NC(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000735409870 599213297 /nfs/dbraw/zinc/21/32/97/599213297.db2.gz NIFSSRNKDMQUDX-GFCCVEGCSA-N -1 3 359.409 1.802 20 30 FDEDHM Cc1c(NC(=O)C(=O)NCC#Cc2ccccc2)cccc1-c1nnn[n-]1 ZINC000822053233 607278687 /nfs/dbraw/zinc/27/86/87/607278687.db2.gz KRDAYDOAFAOENP-UHFFFAOYSA-N -1 3 360.377 1.282 20 30 FDEDHM Cc1c(NC(=O)C(=O)NCC#Cc2ccccc2)cccc1-c1nn[n-]n1 ZINC000822053233 607278688 /nfs/dbraw/zinc/27/86/88/607278688.db2.gz KRDAYDOAFAOENP-UHFFFAOYSA-N -1 3 360.377 1.282 20 30 FDEDHM C[C@@H](Nc1ccc(S(N)(=O)=O)cc1-c1nnn[n-]1)c1ccc(C#N)cc1 ZINC000736140689 599272532 /nfs/dbraw/zinc/27/25/32/599272532.db2.gz ZQICAADRTLOPPC-SNVBAGLBSA-N -1 3 369.410 1.559 20 30 FDEDHM C[C@@H](Nc1ccc(S(N)(=O)=O)cc1-c1nn[n-]n1)c1ccc(C#N)cc1 ZINC000736140689 599272535 /nfs/dbraw/zinc/27/25/35/599272535.db2.gz ZQICAADRTLOPPC-SNVBAGLBSA-N -1 3 369.410 1.559 20 30 FDEDHM C=CCNC(=S)NNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000735432723 598316363 /nfs/dbraw/zinc/31/63/63/598316363.db2.gz UJFGZHDEQGWAIO-UHFFFAOYSA-N -1 3 368.879 1.372 20 30 FDEDHM C=CCNC(=S)NNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000735432723 598316366 /nfs/dbraw/zinc/31/63/66/598316366.db2.gz UJFGZHDEQGWAIO-UHFFFAOYSA-N -1 3 368.879 1.372 20 30 FDEDHM COC(=O)CCn1nc(C)c(C=NNc2ccc(-c3nn[n-]n3)cc2)c1C ZINC000736918510 598414508 /nfs/dbraw/zinc/41/45/08/598414508.db2.gz DIFGBWGXOSZUCL-UHFFFAOYSA-N -1 3 368.401 1.689 20 30 FDEDHM N#CCN1CCC(NC(=O)Nc2ccc(-c3nnn[n-]3)c(Cl)c2)CC1 ZINC000737695028 598431657 /nfs/dbraw/zinc/43/16/57/598431657.db2.gz IUJUFFRMJPGEFT-UHFFFAOYSA-N -1 3 360.809 1.630 20 30 FDEDHM N#CCN1CCC(NC(=O)Nc2ccc(-c3nn[n-]n3)c(Cl)c2)CC1 ZINC000737695028 598431659 /nfs/dbraw/zinc/43/16/59/598431659.db2.gz IUJUFFRMJPGEFT-UHFFFAOYSA-N -1 3 360.809 1.630 20 30 FDEDHM C[C@H](C#N)CN(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735505736 598480545 /nfs/dbraw/zinc/48/05/45/598480545.db2.gz SKIIVTNPVFRUDJ-GFCCVEGCSA-N -1 3 369.433 1.032 20 30 FDEDHM C[C@H](C#N)CN(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735505736 598480547 /nfs/dbraw/zinc/48/05/47/598480547.db2.gz SKIIVTNPVFRUDJ-GFCCVEGCSA-N -1 3 369.433 1.032 20 30 FDEDHM C#Cc1cccc(NC(=O)CNc2ncc([N+](=O)[O-])cc2-c2nnn[n-]2)c1 ZINC000735390877 598498591 /nfs/dbraw/zinc/49/85/91/598498591.db2.gz GYQDJDNHPXXLGF-UHFFFAOYSA-N -1 3 364.325 1.202 20 30 FDEDHM C#Cc1cccc(NC(=O)CNc2ncc([N+](=O)[O-])cc2-c2nn[n-]n2)c1 ZINC000735390877 598498593 /nfs/dbraw/zinc/49/85/93/598498593.db2.gz GYQDJDNHPXXLGF-UHFFFAOYSA-N -1 3 364.325 1.202 20 30 FDEDHM N#Cc1nc(N)n(Cc2csc(Cc3ccccc3)n2)c1-c1nnn[n-]1 ZINC000737728429 598718611 /nfs/dbraw/zinc/71/86/11/598718611.db2.gz MXXQSCUUIKBFJJ-UHFFFAOYSA-N -1 3 363.410 1.613 20 30 FDEDHM N#Cc1nc(N)n(Cc2csc(Cc3ccccc3)n2)c1-c1nn[n-]n1 ZINC000737728429 598718613 /nfs/dbraw/zinc/71/86/13/598718613.db2.gz MXXQSCUUIKBFJJ-UHFFFAOYSA-N -1 3 363.410 1.613 20 30 FDEDHM C#Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)nc1 ZINC000735389386 598779956 /nfs/dbraw/zinc/77/99/56/598779956.db2.gz AYRPWSJXEGKRLN-NSHDSACASA-N -1 3 362.349 1.427 20 30 FDEDHM C#Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)nc1 ZINC000735389386 598779958 /nfs/dbraw/zinc/77/99/58/598779958.db2.gz AYRPWSJXEGKRLN-NSHDSACASA-N -1 3 362.349 1.427 20 30 FDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc2c(c1)nnn2C ZINC000735421107 598790113 /nfs/dbraw/zinc/79/01/13/598790113.db2.gz XSKVIOJFMNFCEQ-UHFFFAOYSA-N -1 3 374.408 1.977 20 30 FDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc2c(c1)nnn2C ZINC000735421107 598790115 /nfs/dbraw/zinc/79/01/15/598790115.db2.gz XSKVIOJFMNFCEQ-UHFFFAOYSA-N -1 3 374.408 1.977 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCN(c2c(-c3nnn[n-]3)cnc3ccccc32)CC1 ZINC000735503119 599494560 /nfs/dbraw/zinc/49/45/60/599494560.db2.gz HBLQKNIUJIYGMQ-GFCCVEGCSA-N -1 3 362.397 1.223 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCN(c2c(-c3nn[n-]n3)cnc3ccccc32)CC1 ZINC000735503119 599494562 /nfs/dbraw/zinc/49/45/62/599494562.db2.gz HBLQKNIUJIYGMQ-GFCCVEGCSA-N -1 3 362.397 1.223 20 30 FDEDHM Cc1cc(F)cc2c1ncc(-c1nnn[n-]1)c2NC1CCN(CC#N)CC1 ZINC000822204705 599544934 /nfs/dbraw/zinc/54/49/34/599544934.db2.gz YEKYLORAIMYQFP-UHFFFAOYSA-N -1 3 366.404 1.684 20 30 FDEDHM Cc1cc(F)cc2c1ncc(-c1nn[n-]n1)c2NC1CCN(CC#N)CC1 ZINC000822204705 599544936 /nfs/dbraw/zinc/54/49/36/599544936.db2.gz YEKYLORAIMYQFP-UHFFFAOYSA-N -1 3 366.404 1.684 20 30 FDEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826257288 607385412 /nfs/dbraw/zinc/38/54/12/607385412.db2.gz WFBXNUAEEGJLAS-OAHLLOKOSA-N -1 3 362.349 1.430 20 30 FDEDHM Cc1cc(C#N)ccc1C(=O)O[C@@H](C(N)=O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826257288 607385414 /nfs/dbraw/zinc/38/54/14/607385414.db2.gz WFBXNUAEEGJLAS-OAHLLOKOSA-N -1 3 362.349 1.430 20 30 FDEDHM C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)N1CCO[C@@H](C#N)C1 ZINC000819866494 607450691 /nfs/dbraw/zinc/45/06/91/607450691.db2.gz NNJNCZSKUYYKQT-KOLCDFICSA-N -1 3 361.793 1.071 20 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ZINC000831579123 601487089 /nfs/dbraw/zinc/48/70/89/601487089.db2.gz VHRDYETWNVMMCK-BFUOFWGJSA-N -1 3 368.393 1.693 20 30 FDEDHM C[C@@]1(c2ccc(-c3nnn[n-]3)cc2)NC(=O)N(Cc2ccnc(C#N)c2)C1=O ZINC000824844065 607538393 /nfs/dbraw/zinc/53/83/93/607538393.db2.gz OMOABACGSWILIV-SFHVURJKSA-N -1 3 374.364 1.101 20 30 FDEDHM C[C@@]1(c2ccc(-c3nn[n-]n3)cc2)NC(=O)N(Cc2ccnc(C#N)c2)C1=O ZINC000824844065 607538394 /nfs/dbraw/zinc/53/83/94/607538394.db2.gz OMOABACGSWILIV-SFHVURJKSA-N -1 3 374.364 1.101 20 30 FDEDHM COc1ccc(CNS(=O)(=O)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826203478 607555167 /nfs/dbraw/zinc/55/51/67/607555167.db2.gz QCLKRDJHPULHCM-UHFFFAOYSA-N -1 3 370.394 1.225 20 30 FDEDHM COc1ccc(CNS(=O)(=O)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826203478 607555168 /nfs/dbraw/zinc/55/51/68/607555168.db2.gz QCLKRDJHPULHCM-UHFFFAOYSA-N -1 3 370.394 1.225 20 30 FDEDHM C#CCOc1cccc(OS(=O)(=O)c2cccc(C)c2-c2nnn[n-]2)c1 ZINC000823861932 607609491 /nfs/dbraw/zinc/60/94/91/607609491.db2.gz 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ZINC000822842752 606143082 /nfs/dbraw/zinc/14/30/82/606143082.db2.gz XBQTUBAZMHDQMB-UHFFFAOYSA-N -1 3 368.378 1.524 20 30 FDEDHM N#Cc1ccsc1NC(=O)COC(=O)Cc1cccc(-c2nn[n-]n2)c1 ZINC000822842752 606143084 /nfs/dbraw/zinc/14/30/84/606143084.db2.gz XBQTUBAZMHDQMB-UHFFFAOYSA-N -1 3 368.378 1.524 20 30 FDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000819743125 606147825 /nfs/dbraw/zinc/14/78/25/606147825.db2.gz DCSQVWWYAYLWFK-IBGZPJMESA-N -1 3 368.441 1.640 20 30 FDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@]1(C)CCN(C(C)=O)C1 ZINC000819743125 606147827 /nfs/dbraw/zinc/14/78/27/606147827.db2.gz DCSQVWWYAYLWFK-IBGZPJMESA-N -1 3 368.441 1.640 20 30 FDEDHM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)C1 ZINC000821655347 606185980 /nfs/dbraw/zinc/18/59/80/606185980.db2.gz JOTVWFMYWALHGV-MNOVXSKESA-N -1 3 354.370 1.656 20 30 FDEDHM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)C1 ZINC000821655347 606185982 /nfs/dbraw/zinc/18/59/82/606185982.db2.gz 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C[C@H](C#N)C(=O)N1CCCN(Cc2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573568208 947071694 /nfs/dbraw/zinc/07/16/94/947071694.db2.gz ZHIVOISYZWDQGE-GFCCVEGCSA-N -1 3 357.393 1.200 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3ncc(-c4nnn[n-]4)cc3Cl)C[C@H]21 ZINC001573569783 947076776 /nfs/dbraw/zinc/07/67/76/947076776.db2.gz FIZIIWGVEHFCTB-OUJBWJOFSA-N -1 3 372.820 1.112 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CC[C@H]2CN(c3ncc(-c4nn[n-]n4)cc3Cl)C[C@H]21 ZINC001573569783 947076786 /nfs/dbraw/zinc/07/67/86/947076786.db2.gz FIZIIWGVEHFCTB-OUJBWJOFSA-N -1 3 372.820 1.112 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@](C)(CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573570478 947088007 /nfs/dbraw/zinc/08/80/07/947088007.db2.gz PYWCMVRCPMCUAO-BMLIUANNSA-N -1 3 357.393 1.862 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@](C)(CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573570478 947088019 /nfs/dbraw/zinc/08/80/19/947088019.db2.gz PYWCMVRCPMCUAO-BMLIUANNSA-N -1 3 357.393 1.862 20 30 FDEDHM C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(c3ccc(-c4nnn[n-]4)cn3)C[C@@]2(C)C1 ZINC001573570797 947094230 /nfs/dbraw/zinc/09/42/30/947094230.db2.gz UHUXESJPOBPEQG-UYHISHBKSA-N -1 3 366.429 1.096 20 30 FDEDHM C[C@@H](C#N)C(=O)N1C[C@@]2(C)CN(c3ccc(-c4nn[n-]n4)cn3)C[C@@]2(C)C1 ZINC001573570797 947094237 /nfs/dbraw/zinc/09/42/37/947094237.db2.gz UHUXESJPOBPEQG-UYHISHBKSA-N -1 3 366.429 1.096 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nnn[n-]3)nc1)CC2 ZINC001573571815 947103426 /nfs/dbraw/zinc/10/34/26/947103426.db2.gz BBPFLJVDSTYNHC-JDSLSITLSA-N -1 3 352.402 1.039 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@@]12CCC[C@H]1N(c1ccc(-c3nn[n-]n3)nc1)CC2 ZINC001573571815 947103431 /nfs/dbraw/zinc/10/34/31/947103431.db2.gz BBPFLJVDSTYNHC-JDSLSITLSA-N -1 3 352.402 1.039 20 30 FDEDHM C=C(C)CCC(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573300413 947111288 /nfs/dbraw/zinc/11/12/88/947111288.db2.gz PTQRSNVECDMBKS-UHFFFAOYSA-N -1 3 373.461 1.766 20 30 FDEDHM C=C(C)CCC(=O)NCC(C)(C)CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573300413 947111292 /nfs/dbraw/zinc/11/12/92/947111292.db2.gz PTQRSNVECDMBKS-UHFFFAOYSA-N -1 3 373.461 1.766 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@@H](CNc1ncccc1-c1nnn[n-]1)C1CCCC1 ZINC001573572898 947117571 /nfs/dbraw/zinc/11/75/71/947117571.db2.gz KSJNHCOVPRMHMN-RISCZKNCSA-N -1 3 354.418 1.508 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@@H](CNc1ncccc1-c1nn[n-]n1)C1CCCC1 ZINC001573572898 947117580 /nfs/dbraw/zinc/11/75/80/947117580.db2.gz KSJNHCOVPRMHMN-RISCZKNCSA-N -1 3 354.418 1.508 20 30 FDEDHM C[C@H](C#N)C(=O)NC1(C)CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573573400 947121019 /nfs/dbraw/zinc/12/10/19/947121019.db2.gz NEQQWSVTWMCJBM-LLVKDONJSA-N -1 3 357.393 1.641 20 30 FDEDHM C[C@H](C#N)C(=O)NC1(C)CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573573400 947121023 /nfs/dbraw/zinc/12/10/23/947121023.db2.gz NEQQWSVTWMCJBM-LLVKDONJSA-N -1 3 357.393 1.641 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC001573584654 947230072 /nfs/dbraw/zinc/23/00/72/947230072.db2.gz AJYXBCIEXUPTHA-XOPPTJLZSA-N -1 3 369.404 1.387 20 30 FDEDHM C=C[C@H](CC)CC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573314526 947231138 /nfs/dbraw/zinc/23/11/38/947231138.db2.gz CQCGNFHFGNBDKF-KGLIPLIRSA-N -1 3 355.446 1.949 20 30 FDEDHM C=C[C@H](CC)CC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573314526 947231149 /nfs/dbraw/zinc/23/11/49/947231149.db2.gz CQCGNFHFGNBDKF-KGLIPLIRSA-N -1 3 355.446 1.949 20 30 FDEDHM C=C[C@H](CC)CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573314730 947236795 /nfs/dbraw/zinc/23/67/95/947236795.db2.gz FOUHHYCHJSIQFC-NWDGAFQWSA-N -1 3 359.434 1.422 20 30 FDEDHM C=C[C@H](CC)CC(=O)N[C@@H](C)CCNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573314730 947236802 /nfs/dbraw/zinc/23/68/02/947236802.db2.gz FOUHHYCHJSIQFC-NWDGAFQWSA-N -1 3 359.434 1.422 20 30 FDEDHM C=C[C@@H](COC)NC(=O)N(C)CCOCc1ccc(-c2nnn[n-]2)cc1 ZINC001573315941 947260912 /nfs/dbraw/zinc/26/09/12/947260912.db2.gz QXJSZPQQIUPSHW-HNNXBMFYSA-N -1 3 360.418 1.226 20 30 FDEDHM C=C[C@@H](COC)NC(=O)N(C)CCOCc1ccc(-c2nn[n-]n2)cc1 ZINC001573315941 947260927 /nfs/dbraw/zinc/26/09/27/947260927.db2.gz QXJSZPQQIUPSHW-HNNXBMFYSA-N -1 3 360.418 1.226 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(c1cccc(F)c1-c1nnn[n-]1)C2 ZINC001573586136 947277285 /nfs/dbraw/zinc/27/72/85/947277285.db2.gz KRBICYJJENOSNI-PZROIBLQSA-N -1 3 369.404 1.641 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(c1cccc(F)c1-c1nn[n-]n1)C2 ZINC001573586136 947277296 /nfs/dbraw/zinc/27/72/96/947277296.db2.gz KRBICYJJENOSNI-PZROIBLQSA-N -1 3 369.404 1.641 20 30 FDEDHM C[C@H](C#N)CNC(=O)c1cccc(CNc2ncccc2-c2nnn[n-]2)c1 ZINC001573586988 947296601 /nfs/dbraw/zinc/29/66/01/947296601.db2.gz VIQULKYXTCSAGY-GFCCVEGCSA-N -1 3 362.397 1.763 20 30 FDEDHM C[C@H](C#N)CNC(=O)c1cccc(CNc2ncccc2-c2nn[n-]n2)c1 ZINC001573586988 947296608 /nfs/dbraw/zinc/29/66/08/947296608.db2.gz VIQULKYXTCSAGY-GFCCVEGCSA-N -1 3 362.397 1.763 20 30 FDEDHM C=CC[C@@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cn1)c1ccncc1 ZINC001573326099 947368282 /nfs/dbraw/zinc/36/82/82/947368282.db2.gz KWAFTXBNQRCVAH-CYBMUJFWSA-N -1 3 357.399 1.252 20 30 FDEDHM C=CC[C@@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cn1)c1ccncc1 ZINC001573326099 947368296 /nfs/dbraw/zinc/36/82/96/947368296.db2.gz KWAFTXBNQRCVAH-CYBMUJFWSA-N -1 3 357.399 1.252 20 30 FDEDHM C=CCCC(=O)NCC1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)CC1 ZINC001573327860 947400442 /nfs/dbraw/zinc/40/04/42/947400442.db2.gz MEOFRSUIRPLVTA-UHFFFAOYSA-N -1 3 357.418 1.129 20 30 FDEDHM C=CCCC(=O)NCC1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)CC1 ZINC001573327860 947400452 /nfs/dbraw/zinc/40/04/52/947400452.db2.gz MEOFRSUIRPLVTA-UHFFFAOYSA-N -1 3 357.418 1.129 20 30 FDEDHM C=CCCC(=O)N[C@]12CCC[C@@H]1N(c1ncccc1-c1nnn[n-]1)CC2 ZINC001573328469 947409267 /nfs/dbraw/zinc/40/92/67/947409267.db2.gz WVEXHISHUSVDNE-KSSFIOAISA-N -1 3 353.430 1.846 20 30 FDEDHM C=CCCC(=O)N[C@]12CCC[C@@H]1N(c1ncccc1-c1nn[n-]n1)CC2 ZINC001573328469 947409271 /nfs/dbraw/zinc/40/92/71/947409271.db2.gz WVEXHISHUSVDNE-KSSFIOAISA-N -1 3 353.430 1.846 20 30 FDEDHM C=CCCC(=O)N1CCCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573329946 947427734 /nfs/dbraw/zinc/42/77/34/947427734.db2.gz RDHAKQSSZQORQU-CQSZACIVSA-N -1 3 371.445 1.662 20 30 FDEDHM C=CCCC(=O)N1CCCCC[C@@H]1CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573329946 947427746 /nfs/dbraw/zinc/42/77/46/947427746.db2.gz RDHAKQSSZQORQU-CQSZACIVSA-N -1 3 371.445 1.662 20 30 FDEDHM C=CCN(CCOC)c1nnc(-c2cccc(-c3nnn[n-]3)c2)n1CC=C ZINC001573342433 947541727 /nfs/dbraw/zinc/54/17/27/947541727.db2.gz YLGNEVJFDVAODH-UHFFFAOYSA-N -1 3 366.429 1.950 20 30 FDEDHM C=CCN(CCOC)c1nnc(-c2cccc(-c3nn[n-]n3)c2)n1CC=C ZINC001573342433 947541729 /nfs/dbraw/zinc/54/17/29/947541729.db2.gz YLGNEVJFDVAODH-UHFFFAOYSA-N -1 3 366.429 1.950 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)C[C@@H](C)CC)ccc1F ZINC000844030363 947588961 /nfs/dbraw/zinc/58/89/61/947588961.db2.gz GHQSBSMJLFFHGT-JSGCOSHPSA-N -1 3 372.462 1.817 20 30 FDEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC001573350303 947595177 /nfs/dbraw/zinc/59/51/77/947595177.db2.gz CQUFLGFFSZOQSQ-CJNGLKHVSA-N -1 3 372.404 1.246 20 30 FDEDHM CC#CCCCC(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573357874 947652302 /nfs/dbraw/zinc/65/23/02/947652302.db2.gz ADBKNZGZZLAYRA-CQSZACIVSA-N -1 3 371.420 1.997 20 30 FDEDHM CC#CCCCC(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573357874 947652310 /nfs/dbraw/zinc/65/23/10/947652310.db2.gz ADBKNZGZZLAYRA-CQSZACIVSA-N -1 3 371.420 1.997 20 30 FDEDHM CC#CCCCC(=O)N[C@@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573358578 947665364 /nfs/dbraw/zinc/66/53/64/947665364.db2.gz MGRWILBCKYCKLG-CYBMUJFWSA-N -1 3 373.848 1.804 20 30 FDEDHM CC#CCCCC(=O)N[C@@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573358578 947665376 /nfs/dbraw/zinc/66/53/76/947665376.db2.gz MGRWILBCKYCKLG-CYBMUJFWSA-N -1 3 373.848 1.804 20 30 FDEDHM CC#CCCCC(=O)NCCNc1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC001573358652 947668167 /nfs/dbraw/zinc/66/81/67/947668167.db2.gz NYCNRBLUCLMJBY-UHFFFAOYSA-N -1 3 357.374 1.497 20 30 FDEDHM CC#CCCCC(=O)NCCNc1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC001573358652 947668172 /nfs/dbraw/zinc/66/81/72/947668172.db2.gz NYCNRBLUCLMJBY-UHFFFAOYSA-N -1 3 357.374 1.497 20 30 FDEDHM C[C@@H](CCNc1ncc(-c2nnn[n-]2)cc1F)NC(=O)c1cc(C#N)c[nH]1 ZINC001574687903 948956988 /nfs/dbraw/zinc/95/69/88/948956988.db2.gz RPCSZGHHYDKXJR-VIFPVBQESA-N -1 3 369.364 1.221 20 30 FDEDHM C[C@@H](CCNc1ncc(-c2nn[n-]n2)cc1F)NC(=O)c1cc(C#N)c[nH]1 ZINC001574687903 948957003 /nfs/dbraw/zinc/95/70/03/948957003.db2.gz RPCSZGHHYDKXJR-VIFPVBQESA-N -1 3 369.364 1.221 20 30 FDEDHM CC(C)(C)C#CC(=O)N[C@@H]1CCCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573792562 949252970 /nfs/dbraw/zinc/25/29/70/949252970.db2.gz AOTRDCLTMKFYMP-CYBMUJFWSA-N -1 3 353.430 1.396 20 30 FDEDHM CC(C)(C)C#CC(=O)N[C@@H]1CCCN(c2ncccc2-c2nn[n-]n2)C1 ZINC001573792562 949252991 /nfs/dbraw/zinc/25/29/91/949252991.db2.gz AOTRDCLTMKFYMP-CYBMUJFWSA-N -1 3 353.430 1.396 20 30 FDEDHM CC1(C#N)CCN(S(=O)(=O)c2cccc(-c3nnn[n-]3)c2Cl)CC1 ZINC001575524946 949333318 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FDEDHM C[C@H](C#N)CN(CCS(=O)(=O)c1cccc(-c2nnn[n-]2)c1)C1CC1 ZINC000824035280 607831355 /nfs/dbraw/zinc/83/13/55/607831355.db2.gz VVWMOVNIYDRPNT-GFCCVEGCSA-N -1 3 360.443 1.264 20 30 FDEDHM C[C@H](C#N)CN(CCS(=O)(=O)c1cccc(-c2nn[n-]n2)c1)C1CC1 ZINC000824035280 607831356 /nfs/dbraw/zinc/83/13/56/607831356.db2.gz VVWMOVNIYDRPNT-GFCCVEGCSA-N -1 3 360.443 1.264 20 30 FDEDHM Cc1ccc(-c2nnn[n-]2)cc1S(=O)(=O)Oc1cccc(F)c1C#N ZINC000826280005 607867746 /nfs/dbraw/zinc/86/77/46/607867746.db2.gz KSUUPXRCPLUGKH-UHFFFAOYSA-N -1 3 359.342 1.954 20 30 FDEDHM Cc1ccc(-c2nn[n-]n2)cc1S(=O)(=O)Oc1cccc(F)c1C#N ZINC000826280005 607867747 /nfs/dbraw/zinc/86/77/47/607867747.db2.gz KSUUPXRCPLUGKH-UHFFFAOYSA-N -1 3 359.342 1.954 20 30 FDEDHM C=CCN(CC(=O)OCC)Cc1cccc(C(=O)OC)c1-c1nnn[n-]1 ZINC000823903574 607921146 /nfs/dbraw/zinc/92/11/46/607921146.db2.gz DDUBQSRTDXNWEK-UHFFFAOYSA-N -1 3 359.386 1.204 20 30 FDEDHM C=CCN(CC(=O)OCC)Cc1cccc(C(=O)OC)c1-c1nn[n-]n1 ZINC000823903574 607921147 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FDEDHM N#Cc1cc(NC(=O)c2ccc(C(=O)NC3CC3)cc2)ccc1-c1nn[n-]n1 ZINC000826384182 607962705 /nfs/dbraw/zinc/96/27/05/607962705.db2.gz KIGJKGPYHYBUKN-UHFFFAOYSA-N -1 3 373.376 1.883 20 30 FDEDHM N#Cc1cccc([C@H]2CN(C(=O)c3cccc(-c4nnn[n-]4)c3)CCO2)c1 ZINC000826386756 608082740 /nfs/dbraw/zinc/08/27/40/608082740.db2.gz ROFAMDZEARMVQJ-QGZVFWFLSA-N -1 3 360.377 1.952 20 30 FDEDHM N#Cc1cccc([C@H]2CN(C(=O)c3cccc(-c4nn[n-]n4)c3)CCO2)c1 ZINC000826386756 608082741 /nfs/dbraw/zinc/08/27/41/608082741.db2.gz ROFAMDZEARMVQJ-QGZVFWFLSA-N -1 3 360.377 1.952 20 30 FDEDHM N#CC1(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CCCC1 ZINC000826379766 608089618 /nfs/dbraw/zinc/08/96/18/608089618.db2.gz ARYATUGKNIMBSY-HNNXBMFYSA-N -1 3 352.398 1.851 20 30 FDEDHM N#CC1(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CCCC1 ZINC000826379766 608089619 /nfs/dbraw/zinc/08/96/19/608089619.db2.gz ARYATUGKNIMBSY-HNNXBMFYSA-N -1 3 352.398 1.851 20 30 FDEDHM COCC#CCOC(=O)c1ccc(Oc2ccc(-c3nnn[n-]3)cn2)cc1 ZINC000826147475 608104371 /nfs/dbraw/zinc/10/43/71/608104371.db2.gz YSKHLUBMXWXXFY-UHFFFAOYSA-N -1 3 365.349 1.861 20 30 FDEDHM COCC#CCOC(=O)c1ccc(Oc2ccc(-c3nn[n-]n3)cn2)cc1 ZINC000826147475 608104372 /nfs/dbraw/zinc/10/43/72/608104372.db2.gz YSKHLUBMXWXXFY-UHFFFAOYSA-N -1 3 365.349 1.861 20 30 FDEDHM CCCn1c(C)nnc1CSc1nc(N)c(C#N)cc1-c1nnn[n-]1 ZINC000825356985 608110342 /nfs/dbraw/zinc/11/03/42/608110342.db2.gz SXUIRASQJZTJLX-UHFFFAOYSA-N -1 3 356.419 1.318 20 30 FDEDHM CCCn1c(C)nnc1CSc1nc(N)c(C#N)cc1-c1nn[n-]n1 ZINC000825356985 608110343 /nfs/dbraw/zinc/11/03/43/608110343.db2.gz SXUIRASQJZTJLX-UHFFFAOYSA-N -1 3 356.419 1.318 20 30 FDEDHM C[C@@]1(C#N)CCCN(S(=O)(=O)Cc2cc(-c3nnn[n-]3)ccc2F)C1 ZINC000824777925 608124852 /nfs/dbraw/zinc/12/48/52/608124852.db2.gz LIVPCLDAWILEFR-HNNXBMFYSA-N -1 3 364.406 1.461 20 30 FDEDHM C[C@@]1(C#N)CCCN(S(=O)(=O)Cc2cc(-c3nn[n-]n3)ccc2F)C1 ZINC000824777925 608124853 /nfs/dbraw/zinc/12/48/53/608124853.db2.gz LIVPCLDAWILEFR-HNNXBMFYSA-N -1 3 364.406 1.461 20 30 FDEDHM C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824779084 608144464 /nfs/dbraw/zinc/14/44/64/608144464.db2.gz SIFXIGRKZQSSJC-MRXNPFEDSA-N -1 3 357.349 1.097 20 30 FDEDHM C[C@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824779084 608144465 /nfs/dbraw/zinc/14/44/65/608144465.db2.gz SIFXIGRKZQSSJC-MRXNPFEDSA-N -1 3 357.349 1.097 20 30 FDEDHM C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nnn[n-]2)C1 ZINC000824779081 608144704 /nfs/dbraw/zinc/14/47/04/608144704.db2.gz SIFXIGRKZQSSJC-INIZCTEOSA-N -1 3 357.349 1.097 20 30 FDEDHM C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2ccc(F)cc2-c2nn[n-]n2)C1 ZINC000824779081 608144705 /nfs/dbraw/zinc/14/47/05/608144705.db2.gz SIFXIGRKZQSSJC-INIZCTEOSA-N -1 3 357.349 1.097 20 30 FDEDHM CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)cs1 ZINC000826224117 608307960 /nfs/dbraw/zinc/30/79/60/608307960.db2.gz PAOUSAXECLKRID-UHFFFAOYSA-N -1 3 374.407 1.456 20 30 FDEDHM CS(=O)(=O)c1cc(C(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)cs1 ZINC000826224117 608307962 /nfs/dbraw/zinc/30/79/62/608307962.db2.gz PAOUSAXECLKRID-UHFFFAOYSA-N -1 3 374.407 1.456 20 30 FDEDHM N#C[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826380706 608338081 /nfs/dbraw/zinc/33/80/81/608338081.db2.gz KATFBSLPBAQUCQ-MFKMUULPSA-N -1 3 350.379 1.117 20 30 FDEDHM N#C[C@H]1CCC[C@@H]1NS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826380706 608338083 /nfs/dbraw/zinc/33/80/83/608338083.db2.gz KATFBSLPBAQUCQ-MFKMUULPSA-N -1 3 350.379 1.117 20 30 FDEDHM Cc1cc(N[C@H](C)C(=O)Nc2cccc(-c3nnn[n-]3)c2)nn1CCC#N ZINC000826270666 608488666 /nfs/dbraw/zinc/48/86/66/608488666.db2.gz KCMZHMXXBRISOU-GFCCVEGCSA-N -1 3 365.401 1.724 20 30 FDEDHM Cc1cc(N[C@H](C)C(=O)Nc2cccc(-c3nn[n-]n3)c2)nn1CCC#N ZINC000826270666 608488668 /nfs/dbraw/zinc/48/86/68/608488668.db2.gz KCMZHMXXBRISOU-GFCCVEGCSA-N -1 3 365.401 1.724 20 30 FDEDHM N#Cc1ccncc1N1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC000826387782 608772127 /nfs/dbraw/zinc/77/21/27/608772127.db2.gz QRJXQRRXXKXFIV-UHFFFAOYSA-N -1 3 350.361 1.599 20 30 FDEDHM N#Cc1ccncc1N1CCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC000826387782 608772129 /nfs/dbraw/zinc/77/21/29/608772129.db2.gz QRJXQRRXXKXFIV-UHFFFAOYSA-N -1 3 350.361 1.599 20 30 FDEDHM N#Cc1ccncc1N1CCN(c2ccc(-c3nn[n-]n3)cc2F)CC1 ZINC000826387764 608779623 /nfs/dbraw/zinc/77/96/23/608779623.db2.gz PXWPECYBEFKYPP-UHFFFAOYSA-N -1 3 350.361 1.599 20 30 FDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@@H](CC)N1CCCC1=O ZINC000823909441 609179582 /nfs/dbraw/zinc/17/95/82/609179582.db2.gz DNYBASBSFOKRAT-MRXNPFEDSA-N -1 3 368.441 1.782 20 30 FDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@@H](CC)N1CCCC1=O ZINC000823909441 609179584 /nfs/dbraw/zinc/17/95/84/609179584.db2.gz DNYBASBSFOKRAT-MRXNPFEDSA-N -1 3 368.441 1.782 20 30 FDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)[C@H](CC)N1CCCC1=O ZINC000823909440 609179682 /nfs/dbraw/zinc/17/96/82/609179682.db2.gz DNYBASBSFOKRAT-INIZCTEOSA-N -1 3 368.441 1.782 20 30 FDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)[C@H](CC)N1CCCC1=O ZINC000823909440 609179684 /nfs/dbraw/zinc/17/96/84/609179684.db2.gz DNYBASBSFOKRAT-INIZCTEOSA-N -1 3 368.441 1.782 20 30 FDEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000824035236 609263239 /nfs/dbraw/zinc/26/32/39/609263239.db2.gz UYERXTZGNLYNED-MEDUHNTESA-N -1 3 364.365 1.830 20 30 FDEDHM C[C@@H](C#N)Oc1ccccc1NC(=O)[C@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000824035236 609263241 /nfs/dbraw/zinc/26/32/41/609263241.db2.gz UYERXTZGNLYNED-MEDUHNTESA-N -1 3 364.365 1.830 20 30 FDEDHM Cc1nn(Cc2ccc(-c3nnn[n-]3)cc2Br)c(N)c1C#N ZINC000826334604 609327535 /nfs/dbraw/zinc/32/75/35/609327535.db2.gz BGTMXEWIFHTIKX-UHFFFAOYSA-N -1 3 359.191 1.636 20 30 FDEDHM Cc1nn(Cc2ccc(-c3nn[n-]n3)cc2Br)c(N)c1C#N ZINC000826334604 609327536 /nfs/dbraw/zinc/32/75/36/609327536.db2.gz BGTMXEWIFHTIKX-UHFFFAOYSA-N -1 3 359.191 1.636 20 30 FDEDHM C[C@@H](C#N)CNC(=O)Nc1ccn(-c2cccc(F)c2-c2nnn[n-]2)n1 ZINC000824033790 609359717 /nfs/dbraw/zinc/35/97/17/609359717.db2.gz AZDPWCYCOACDLW-VIFPVBQESA-N -1 3 355.337 1.473 20 30 FDEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)cc1 ZINC000823926001 609422191 /nfs/dbraw/zinc/42/21/91/609422191.db2.gz VDUVHEIYVPXUAK-UHFFFAOYSA-N -1 3 352.358 1.755 20 30 FDEDHM C=CCNC(=O)Nc1ccc(NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)cc1 ZINC000823926001 609422194 /nfs/dbraw/zinc/42/21/94/609422194.db2.gz VDUVHEIYVPXUAK-UHFFFAOYSA-N -1 3 352.358 1.755 20 30 FDEDHM COc1cc(-c2nnn[n-]2)ccc1OS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000826176179 609510563 /nfs/dbraw/zinc/51/05/63/609510563.db2.gz FNYZZVCZXRMGSJ-UHFFFAOYSA-N -1 3 371.378 1.656 20 30 FDEDHM COc1cc(-c2nn[n-]n2)ccc1OS(=O)(=O)Cc1ccc(C#N)cc1 ZINC000826176179 609510566 /nfs/dbraw/zinc/51/05/66/609510566.db2.gz FNYZZVCZXRMGSJ-UHFFFAOYSA-N -1 3 371.378 1.656 20 30 FDEDHM N#CCC[C@H](C#N)CN[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000826380639 609515459 /nfs/dbraw/zinc/51/54/59/609515459.db2.gz ILUKQLZLVAIKIL-CZUORRHYSA-N -1 3 364.413 1.395 20 30 FDEDHM CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)cc1Cl ZINC000825399408 609540768 /nfs/dbraw/zinc/54/07/68/609540768.db2.gz SEHQHEISGHKGNM-SECBINFHSA-N -1 3 354.823 1.690 20 30 FDEDHM CCN(C[C@H](C)C#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)cc1Cl ZINC000825399408 609540770 /nfs/dbraw/zinc/54/07/70/609540770.db2.gz SEHQHEISGHKGNM-SECBINFHSA-N -1 3 354.823 1.690 20 30 FDEDHM Cc1c(Cl)cnc(NCCNC(=O)C2N=CC=CC2=O)c1-c1nnn[n-]1 ZINC000826240372 609551438 /nfs/dbraw/zinc/55/14/38/609551438.db2.gz PELORVGSCSSMDT-QINSGFPZSA-N -1 3 374.792 1.162 20 30 FDEDHM Cc1c(Cl)cnc(NCCNC(=O)C2N=CC=CC2=O)c1-c1nn[n-]n1 ZINC000826240372 609551440 /nfs/dbraw/zinc/55/14/40/609551440.db2.gz PELORVGSCSSMDT-QINSGFPZSA-N -1 3 374.792 1.162 20 30 FDEDHM N#Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nnn[n-]4)cc3)C2=O)nc1 ZINC000826385587 609575514 /nfs/dbraw/zinc/57/55/14/609575514.db2.gz SIZATYMDZORRNA-OAHLLOKOSA-N -1 3 360.381 1.741 20 30 FDEDHM N#Cc1ccc(N[C@@H]2CCCN(c3ccc(-c4nn[n-]n4)cc3)C2=O)nc1 ZINC000826385587 609575516 /nfs/dbraw/zinc/57/55/16/609575516.db2.gz SIZATYMDZORRNA-OAHLLOKOSA-N -1 3 360.381 1.741 20 30 FDEDHM CC1(C#N)CCN(S(=O)(=O)c2c(F)cc(-c3nnn[n-]3)cc2F)CC1 ZINC000824779375 609578358 /nfs/dbraw/zinc/57/83/58/609578358.db2.gz UTJYZIQARYJMGY-UHFFFAOYSA-N -1 3 368.369 1.459 20 30 FDEDHM CC1(C#N)CCN(S(=O)(=O)c2c(F)cc(-c3nn[n-]n3)cc2F)CC1 ZINC000824779375 609578360 /nfs/dbraw/zinc/57/83/60/609578360.db2.gz UTJYZIQARYJMGY-UHFFFAOYSA-N -1 3 368.369 1.459 20 30 FDEDHM C=C[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823883015 609608009 /nfs/dbraw/zinc/60/80/09/609608009.db2.gz IOKKEHDTNQMWJV-RISCZKNCSA-N -1 3 355.402 1.236 20 30 FDEDHM C=C[C@@H](C)NC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823883015 609608010 /nfs/dbraw/zinc/60/80/10/609608010.db2.gz IOKKEHDTNQMWJV-RISCZKNCSA-N -1 3 355.402 1.236 20 30 FDEDHM COc1ccc(COC(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)cc1C#N ZINC000826204430 609630691 /nfs/dbraw/zinc/63/06/91/609630691.db2.gz KRJPEQDJZWYQHT-INIZCTEOSA-N -1 3 365.349 1.524 20 30 FDEDHM COc1ccc(COC(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)cc1C#N ZINC000826204430 609630692 /nfs/dbraw/zinc/63/06/92/609630692.db2.gz KRJPEQDJZWYQHT-INIZCTEOSA-N -1 3 365.349 1.524 20 30 FDEDHM O=C(OCC#Cc1ccc(F)cc1)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000826462563 609630823 /nfs/dbraw/zinc/63/08/23/609630823.db2.gz BCZPEICKIFVUNL-INIZCTEOSA-N -1 3 352.325 1.634 20 30 FDEDHM O=C(OCC#Cc1ccc(F)cc1)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000826462563 609630824 /nfs/dbraw/zinc/63/08/24/609630824.db2.gz BCZPEICKIFVUNL-INIZCTEOSA-N -1 3 352.325 1.634 20 30 FDEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H](O)c1ccc(-c2nnn[n-]2)cc1 ZINC000823904035 609634480 /nfs/dbraw/zinc/63/44/80/609634480.db2.gz SFSZNWYGYGNOGP-WFASDCNBSA-N -1 3 371.397 1.032 20 30 FDEDHM C=CCN(CC=C)C(=O)[C@H](C)OC(=O)[C@@H](O)c1ccc(-c2nn[n-]n2)cc1 ZINC000823904035 609634481 /nfs/dbraw/zinc/63/44/81/609634481.db2.gz SFSZNWYGYGNOGP-WFASDCNBSA-N -1 3 371.397 1.032 20 30 FDEDHM N#Cc1ccc([C@H](O)C(=O)OCc2cc(-c3nnn[n-]3)ccc2F)cc1 ZINC000826384603 609638242 /nfs/dbraw/zinc/63/82/42/609638242.db2.gz CBMQSQNKUBKWHF-HNNXBMFYSA-N -1 3 353.313 1.654 20 30 FDEDHM N#Cc1ccc([C@H](O)C(=O)OCc2cc(-c3nn[n-]n3)ccc2F)cc1 ZINC000826384603 609638243 /nfs/dbraw/zinc/63/82/43/609638243.db2.gz CBMQSQNKUBKWHF-HNNXBMFYSA-N -1 3 353.313 1.654 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)Nc2c(C)n[nH]c2C)ccc1F ZINC000063837844 671312825 /nfs/dbraw/zinc/31/28/25/671312825.db2.gz JQGCGQHCGTYXJV-UHFFFAOYSA-N -1 3 352.391 1.882 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NCCc2cccnc2)ccc1F ZINC000108406753 671616367 /nfs/dbraw/zinc/61/63/67/671616367.db2.gz FVURAYOGOOWAET-UHFFFAOYSA-N -1 3 363.414 1.658 20 30 FDEDHM CCN(CCC#N)C(=O)c1c(F)ccc(S(=O)(=O)[N-]C2CC2)c1F ZINC000161133950 672007509 /nfs/dbraw/zinc/00/75/09/672007509.db2.gz MUPRWRYMJCRESR-UHFFFAOYSA-N -1 3 357.382 1.781 20 30 FDEDHM C=C(C)[C@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(C(=O)OC)ccc1F ZINC000280706988 675450324 /nfs/dbraw/zinc/45/03/24/675450324.db2.gz HHWZKXMGDRYCNP-IUODEOHRSA-N -1 3 357.403 1.872 20 30 FDEDHM C=CCCCS(=O)(=O)[N-][C@H](CC(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000292810451 676316244 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946883405 /nfs/dbraw/zinc/88/34/05/946883405.db2.gz WLGRQMDVKQBHHD-OAHLLOKOSA-N -1 3 374.408 1.355 20 30 FDEDHM C#Cc1ccc(C(=O)N2CCC[C@@H]2CNc2ccc(-c3nn[n-]n3)nc2)nc1 ZINC001573289036 946883422 /nfs/dbraw/zinc/88/34/22/946883422.db2.gz WLGRQMDVKQBHHD-OAHLLOKOSA-N -1 3 374.408 1.355 20 30 FDEDHM C#Cc1cccc(CNS(=O)(=O)c2c(C)cccc2-c2nnn[n-]2)c1 ZINC001573290875 946913588 /nfs/dbraw/zinc/91/35/88/946913588.db2.gz SBTIGOLQBNPZGG-UHFFFAOYSA-N -1 3 353.407 1.635 20 30 FDEDHM C#Cc1cccc(CNS(=O)(=O)c2c(C)cccc2-c2nn[n-]n2)c1 ZINC001573290875 946913594 /nfs/dbraw/zinc/91/35/94/946913594.db2.gz SBTIGOLQBNPZGG-UHFFFAOYSA-N -1 3 353.407 1.635 20 30 FDEDHM C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccc(-c4nnn[n-]4)nc3)[C@@H]2C)c1 ZINC001573291637 946922658 /nfs/dbraw/zinc/92/26/58/946922658.db2.gz GUCJFDJFOSRYLY-WBMJQRKESA-N -1 3 374.408 1.035 20 30 FDEDHM C#Cc1cncc(C(=O)N[C@H]2CCN(c3ccc(-c4nn[n-]n4)nc3)[C@@H]2C)c1 ZINC001573291637 946922662 /nfs/dbraw/zinc/92/26/62/946922662.db2.gz GUCJFDJFOSRYLY-WBMJQRKESA-N -1 3 374.408 1.035 20 30 FDEDHM C=C(C)[C@@H](CC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)C1)OCC ZINC001573292999 946944530 /nfs/dbraw/zinc/94/45/30/946944530.db2.gz JEOZCCTXDVFYEN-DZGCQCFKSA-N -1 3 371.445 1.646 20 30 FDEDHM C=C(C)[C@@H](CC(=O)N1CC[C@H](Nc2ncccc2-c2nn[n-]n2)C1)OCC ZINC001573292999 946944542 /nfs/dbraw/zinc/94/45/42/946944542.db2.gz JEOZCCTXDVFYEN-DZGCQCFKSA-N -1 3 371.445 1.646 20 30 FDEDHM C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nnn[n-]3)c2)C[C@H]1C ZINC001573293853 946970575 /nfs/dbraw/zinc/97/05/75/946970575.db2.gz LWUMIBWKJGTPBX-TZMCWYRMSA-N -1 3 371.445 1.375 20 30 FDEDHM C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[n-]n3)c2)C[C@H]1C ZINC001573293853 946970586 /nfs/dbraw/zinc/97/05/86/946970586.db2.gz LWUMIBWKJGTPBX-TZMCWYRMSA-N -1 3 371.445 1.375 20 30 FDEDHM C=C(C)CCC(=O)NC[C@@H]1CN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C[C@H]1C ZINC001573294019 946974571 /nfs/dbraw/zinc/97/45/71/946974571.db2.gz RIVHZAVEDOFMEG-TZMCWYRMSA-N -1 3 371.445 1.375 20 30 FDEDHM 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ZINC001573567405 947044381 /nfs/dbraw/zinc/04/43/81/947044381.db2.gz MSRNXPRGRWHYLR-NWDGAFQWSA-N -1 3 357.393 1.958 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCCC[C@@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573567405 947044393 /nfs/dbraw/zinc/04/43/93/947044393.db2.gz MSRNXPRGRWHYLR-NWDGAFQWSA-N -1 3 357.393 1.958 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573570447 947088735 /nfs/dbraw/zinc/08/87/35/947088735.db2.gz OWWJPMKEEAQQPH-DYEKYZERSA-N -1 3 354.418 1.460 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CC[C@@H](C)C[C@H]1CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573570447 947088745 /nfs/dbraw/zinc/08/87/45/947088745.db2.gz OWWJPMKEEAQQPH-DYEKYZERSA-N -1 3 354.418 1.460 20 30 FDEDHM C[C@@H](C#N)C(=O)NC1CC2(C1)CC(Nc1ncc(-c3nnn[n-]3)cc1F)C2 ZINC001573572404 947112459 /nfs/dbraw/zinc/11/24/59/947112459.db2.gz HCZRIAIAXDIQSZ-AMWJZZMOSA-N -1 3 370.392 1.400 20 30 FDEDHM C[C@@H](C#N)C(=O)NC1CC2(C1)CC(Nc1ncc(-c3nn[n-]n3)cc1F)C2 ZINC001573572404 947112463 /nfs/dbraw/zinc/11/24/63/947112463.db2.gz HCZRIAIAXDIQSZ-AMWJZZMOSA-N -1 3 370.392 1.400 20 30 FDEDHM C[C@H](C#N)C(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC001573575574 947141646 /nfs/dbraw/zinc/14/16/46/947141646.db2.gz ACEPCPURFPRCLE-IUODEOHRSA-N -1 3 362.397 1.691 20 30 FDEDHM C[C@H](C#N)C(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC001573575574 947141651 /nfs/dbraw/zinc/14/16/51/947141651.db2.gz ACEPCPURFPRCLE-IUODEOHRSA-N -1 3 362.397 1.691 20 30 FDEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@@H]1C ZINC001573305458 947154682 /nfs/dbraw/zinc/15/46/82/947154682.db2.gz QVXNFARIPVYLGW-DGCLKSJQSA-N -1 3 371.445 1.516 20 30 FDEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@@H]1C ZINC001573305458 947154686 /nfs/dbraw/zinc/15/46/86/947154686.db2.gz QVXNFARIPVYLGW-DGCLKSJQSA-N -1 3 371.445 1.516 20 30 FDEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001573305460 947154748 /nfs/dbraw/zinc/15/47/48/947154748.db2.gz QVXNFARIPVYLGW-WCQYABFASA-N -1 3 371.445 1.516 20 30 FDEDHM C=CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001573305460 947154751 /nfs/dbraw/zinc/15/47/51/947154751.db2.gz QVXNFARIPVYLGW-WCQYABFASA-N -1 3 371.445 1.516 20 30 FDEDHM C=CC(C)(C)C(=O)NC[C@]1(C)CN(c2ncccc2-c2nnn[n-]2)CCO1 ZINC001573305758 947161344 /nfs/dbraw/zinc/16/13/44/947161344.db2.gz VGKNFJGEQBZKAE-GOSISDBHSA-N -1 3 371.445 1.185 20 30 FDEDHM C=CC(C)(C)C(=O)NC[C@]1(C)CN(c2ncccc2-c2nn[n-]n2)CCO1 ZINC001573305758 947161350 /nfs/dbraw/zinc/16/13/50/947161350.db2.gz VGKNFJGEQBZKAE-GOSISDBHSA-N -1 3 371.445 1.185 20 30 FDEDHM C=C[C@@](C)(O)CC(=O)N[C@@H]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)C1 ZINC001573310605 947223322 /nfs/dbraw/zinc/22/33/22/947223322.db2.gz YIYPBQZYSSJELT-FZKQIMNGSA-N -1 3 374.420 1.023 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573587275 947306496 /nfs/dbraw/zinc/30/64/96/947306496.db2.gz YXHKXKVAZOSILX-YUSALJHKSA-N -1 3 358.381 1.400 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573587275 947306513 /nfs/dbraw/zinc/30/65/13/947306513.db2.gz YXHKXKVAZOSILX-YUSALJHKSA-N -1 3 358.381 1.400 20 30 FDEDHM C=CCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC001573320332 947343483 /nfs/dbraw/zinc/34/34/83/947343483.db2.gz WFHKRBVSSQFJLN-ZDUSSCGKSA-N -1 3 359.434 1.095 20 30 FDEDHM C=CCC(C)(C)C(=O)N(C)C[C@@H](O)CNc1ccc(-c2nn[n-]n2)cn1 ZINC001573320332 947343499 /nfs/dbraw/zinc/34/34/99/947343499.db2.gz WFHKRBVSSQFJLN-ZDUSSCGKSA-N -1 3 359.434 1.095 20 30 FDEDHM C=CCCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573327884 947399661 /nfs/dbraw/zinc/39/96/61/947399661.db2.gz MVADCSCKVYKLBX-OLZOCXBDSA-N -1 3 357.418 1.318 20 30 FDEDHM C=CCCC(=O)N[C@@H]1CCC[C@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573327884 947399670 /nfs/dbraw/zinc/39/96/70/947399670.db2.gz MVADCSCKVYKLBX-OLZOCXBDSA-N -1 3 357.418 1.318 20 30 FDEDHM C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573328349 947406441 /nfs/dbraw/zinc/40/64/41/947406441.db2.gz UUDFEGJGAYTNDT-AGUYFDCRSA-N -1 3 369.429 1.413 20 30 FDEDHM C=CCCC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573328349 947406447 /nfs/dbraw/zinc/40/64/47/947406447.db2.gz UUDFEGJGAYTNDT-AGUYFDCRSA-N -1 3 369.429 1.413 20 30 FDEDHM C=CCCC(=O)N1CCC[C@@H]1CN(C)c1ncc(-c2nnn[n-]2)cc1F ZINC001573328826 947414683 /nfs/dbraw/zinc/41/46/83/947414683.db2.gz CSMPAUOBFQJNEF-CYBMUJFWSA-N -1 3 359.409 1.794 20 30 FDEDHM C=CCCC(=O)N1CCC[C@@H]1CN(C)c1ncc(-c2nn[n-]n2)cc1F ZINC001573328826 947414688 /nfs/dbraw/zinc/41/46/88/947414688.db2.gz CSMPAUOBFQJNEF-CYBMUJFWSA-N -1 3 359.409 1.794 20 30 FDEDHM C=CCCC(=O)N1CCO[C@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573330123 947429681 /nfs/dbraw/zinc/42/96/81/947429681.db2.gz UQBBTYRZKHQKFU-CYBMUJFWSA-N -1 3 357.418 1.176 20 30 FDEDHM C=CCCC(=O)N1CCO[C@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573330123 947429690 /nfs/dbraw/zinc/42/96/90/947429690.db2.gz UQBBTYRZKHQKFU-CYBMUJFWSA-N -1 3 357.418 1.176 20 30 FDEDHM C=CCCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)[C@@H](C)C1 ZINC001573334166 947448811 /nfs/dbraw/zinc/44/88/11/947448811.db2.gz KULFIPIJMJAAOS-JSGCOSHPSA-N -1 3 371.445 1.518 20 30 FDEDHM C=CCCCC(=O)N1CC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)[C@@H](C)C1 ZINC001573334166 947448819 /nfs/dbraw/zinc/44/88/19/947448819.db2.gz KULFIPIJMJAAOS-JSGCOSHPSA-N -1 3 371.445 1.518 20 30 FDEDHM C=CCCOCC(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573335906 947493261 /nfs/dbraw/zinc/49/32/61/947493261.db2.gz FWJXTSPITODUSM-CQSZACIVSA-N -1 3 371.445 1.566 20 30 FDEDHM C=CCCOCC(=O)N1CCC[C@@H](Nc2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573335906 947493268 /nfs/dbraw/zinc/49/32/68/947493268.db2.gz FWJXTSPITODUSM-CQSZACIVSA-N -1 3 371.445 1.566 20 30 FDEDHM C=CCCOCC(=O)N1CCC(N(C)c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573336469 947505518 /nfs/dbraw/zinc/50/55/18/947505518.db2.gz NPOIOUIOBCXKEI-UHFFFAOYSA-N -1 3 371.445 1.282 20 30 FDEDHM 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NMLKSKCFPSTQHE-WBHUJUFNSA-N -1 3 366.429 1.287 20 30 FDEDHM C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2ccc(-c3nnn[n-]3)nc2)C[C@H]1OC ZINC001573316192 947269730 /nfs/dbraw/zinc/26/97/30/947269730.db2.gz SPZWXXHJUHJJIW-DAXOMENPSA-N -1 3 371.445 1.184 20 30 FDEDHM C=C[C@H](CC)CC(=O)N[C@@H]1CN(c2ccc(-c3nn[n-]n3)nc2)C[C@H]1OC ZINC001573316192 947269742 /nfs/dbraw/zinc/26/97/42/947269742.db2.gz SPZWXXHJUHJJIW-DAXOMENPSA-N -1 3 371.445 1.184 20 30 FDEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nnn[n-]2)C1 ZINC001573316392 947275521 /nfs/dbraw/zinc/27/55/21/947275521.db2.gz WOQKFVQJCRAXQF-UONOGXRCSA-N -1 3 355.446 1.867 20 30 FDEDHM C=C[C@@H](CC)CC(=O)N[C@@H]1CCN(c2nc(C)ccc2-c2nn[n-]n2)C1 ZINC001573316392 947275529 /nfs/dbraw/zinc/27/55/29/947275529.db2.gz WOQKFVQJCRAXQF-UONOGXRCSA-N -1 3 355.446 1.867 20 30 FDEDHM C[C@@H](C#N)CNC(=O)NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC001573586591 947291543 /nfs/dbraw/zinc/29/15/43/947291543.db2.gz RGVTXGOWFPJXEX-NSHDSACASA-N -1 3 365.401 1.226 20 30 FDEDHM C[C@@H](C#N)CNC(=O)NCc1cn(C)nc1-c1ccc(-c2nn[n-]n2)cc1 ZINC001573586591 947291554 /nfs/dbraw/zinc/29/15/54/947291554.db2.gz RGVTXGOWFPJXEX-NSHDSACASA-N -1 3 365.401 1.226 20 30 FDEDHM C=C[C@@H](C)[C@@H](C)C(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCC1 ZINC001573318097 947302881 /nfs/dbraw/zinc/30/28/81/947302881.db2.gz QCGSOFMHNHFCIG-VXGBXAGGSA-N -1 3 371.445 1.422 20 30 FDEDHM C=C[C@@H](C)[C@@H](C)C(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCC1 ZINC001573318097 947302892 /nfs/dbraw/zinc/30/28/92/947302892.db2.gz QCGSOFMHNHFCIG-VXGBXAGGSA-N -1 3 371.445 1.422 20 30 FDEDHM C=CCC(C)(C)C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573319923 947336418 /nfs/dbraw/zinc/33/64/18/947336418.db2.gz SUUXFBZHXJFCCH-UHFFFAOYSA-N -1 3 358.421 1.909 20 30 FDEDHM C=CCC(C)(C)C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573319923 947336431 /nfs/dbraw/zinc/33/64/31/947336431.db2.gz SUUXFBZHXJFCCH-UHFFFAOYSA-N -1 3 358.421 1.909 20 30 FDEDHM C=CCC1(C(=O)NC[C@H](C)N(C)c2ccc(-c3nnn[n-]3)nc2)CCC1 ZINC001573325389 947355904 /nfs/dbraw/zinc/35/59/04/947355904.db2.gz BAFUDFPRVBXGKP-ZDUSSCGKSA-N -1 3 355.446 1.949 20 30 FDEDHM C=CCC1(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[n-]n3)nc2)CCC1 ZINC001573325389 947355911 /nfs/dbraw/zinc/35/59/11/947355911.db2.gz BAFUDFPRVBXGKP-ZDUSSCGKSA-N -1 3 355.446 1.949 20 30 FDEDHM C=CCC(CC=C)C(=O)N[C@H](C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573325429 947357075 /nfs/dbraw/zinc/35/70/75/947357075.db2.gz BPOOAHNYMUZRAN-NEPJUHHUSA-N -1 3 371.445 1.586 20 30 FDEDHM C=CCC(CC=C)C(=O)N[C@H](C)[C@H](C)NC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573325429 947357085 /nfs/dbraw/zinc/35/70/85/947357085.db2.gz BPOOAHNYMUZRAN-NEPJUHHUSA-N -1 3 371.445 1.586 20 30 FDEDHM C=CCC(CC=C)C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573326397 947370625 /nfs/dbraw/zinc/37/06/25/947370625.db2.gz OPVJEIBSFCDGHA-CYBMUJFWSA-N -1 3 369.429 1.294 20 30 FDEDHM C=CCC(CC=C)C(=O)NC[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573326397 947370638 /nfs/dbraw/zinc/37/06/38/947370638.db2.gz 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C=CCCC(=O)N1CCCC[C@@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573329918 947428500 /nfs/dbraw/zinc/42/85/00/947428500.db2.gz QWTPMEDAENDZNP-GFCCVEGCSA-N -1 3 357.418 1.272 20 30 FDEDHM C=CCCCC(=O)N[C@@]1(C)CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573333590 947437135 /nfs/dbraw/zinc/43/71/35/947437135.db2.gz BCUCUNGKMROXNI-KRWDZBQOSA-N -1 3 357.418 1.272 20 30 FDEDHM C=CCCCC(=O)N[C@@]1(C)CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573333590 947437139 /nfs/dbraw/zinc/43/71/39/947437139.db2.gz BCUCUNGKMROXNI-KRWDZBQOSA-N -1 3 357.418 1.272 20 30 FDEDHM C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573334336 947454397 /nfs/dbraw/zinc/45/43/97/947454397.db2.gz CLEYVMGKJAKHAR-CYBMUJFWSA-N -1 3 371.445 1.520 20 30 FDEDHM C=CCCCC(=O)NCC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573334336 947454406 /nfs/dbraw/zinc/45/44/06/947454406.db2.gz CLEYVMGKJAKHAR-CYBMUJFWSA-N -1 3 371.445 1.520 20 30 FDEDHM C=CCCO[C@H](C)C(=O)NCC1CC(Nc2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573335962 947495339 /nfs/dbraw/zinc/49/53/39/947495339.db2.gz GLAMQWMDLPCHEM-DNOWBOINSA-N -1 3 371.445 1.550 20 30 FDEDHM C=CCCO[C@H](C)C(=O)NCC1CC(Nc2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573335962 947495346 /nfs/dbraw/zinc/49/53/46/947495346.db2.gz GLAMQWMDLPCHEM-DNOWBOINSA-N -1 3 371.445 1.550 20 30 FDEDHM C=CCCOCC(=O)NC[C@@H]1CN(c2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573336150 947500138 /nfs/dbraw/zinc/50/01/38/947500138.db2.gz JNOWVODTNVJOLU-ZIAGYGMSSA-N -1 3 371.445 1.043 20 30 FDEDHM C=CCCOCC(=O)NC[C@@H]1CN(c2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573336150 947500145 /nfs/dbraw/zinc/50/01/45/947500145.db2.gz JNOWVODTNVJOLU-ZIAGYGMSSA-N -1 3 371.445 1.043 20 30 FDEDHM C=CCCOCC(=O)N[C@H]1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573337543 947517860 /nfs/dbraw/zinc/51/78/60/947517860.db2.gz YALVVWXTUMVKDT-KBPBESRZSA-N -1 3 371.445 1.694 20 30 FDEDHM C=CCCOCC(=O)N[C@H]1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573337543 947517871 /nfs/dbraw/zinc/51/78/71/947517871.db2.gz YALVVWXTUMVKDT-KBPBESRZSA-N -1 3 371.445 1.694 20 30 FDEDHM C=CCOCC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573342785 947548275 /nfs/dbraw/zinc/54/82/75/947548275.db2.gz DDPBBFKCKQJUQQ-ZDUSSCGKSA-N -1 3 374.420 1.684 20 30 FDEDHM C=CCOCC(=O)N[C@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573342785 947548281 /nfs/dbraw/zinc/54/82/81/947548281.db2.gz DDPBBFKCKQJUQQ-ZDUSSCGKSA-N -1 3 374.420 1.684 20 30 FDEDHM C=CCOCC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573343239 947555498 /nfs/dbraw/zinc/55/54/98/947555498.db2.gz LCWBSPWMTPCWFE-LBPRGKRZSA-N -1 3 360.393 1.611 20 30 FDEDHM C=CCOCC(=O)N1CCC[C@H](Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573343239 947555508 /nfs/dbraw/zinc/55/55/08/947555508.db2.gz LCWBSPWMTPCWFE-LBPRGKRZSA-N -1 3 360.393 1.611 20 30 FDEDHM C=CCOCC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)C[C@H]1C ZINC001573343583 947559731 /nfs/dbraw/zinc/55/97/31/947559731.db2.gz QRVPTKOPCVCFPA-CHWSQXEVSA-N -1 3 357.418 1.256 20 30 FDEDHM C=CCOCC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)C[C@H]1C ZINC001573343583 947559740 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FDEDHM CC#CCCCC(=O)NC1CC(CNc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573358573 947667004 /nfs/dbraw/zinc/66/70/04/947667004.db2.gz MDKWXFSEPGRVNB-UHFFFAOYSA-N -1 3 371.420 1.901 20 30 FDEDHM CC#CCCCC(=O)NC1CC(CNc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573358573 947667009 /nfs/dbraw/zinc/66/70/09/947667009.db2.gz MDKWXFSEPGRVNB-UHFFFAOYSA-N -1 3 371.420 1.901 20 30 FDEDHM C[C@H](CC(=O)N[C@@]1(C)CCCOC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000772903029 948053495 /nfs/dbraw/zinc/05/34/95/948053495.db2.gz RVFZYICNDPTHCE-PXAZEXFGSA-N -1 3 365.455 1.189 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(CC)[C@@H]2CCCOC2)ccc1F ZINC000844858036 948432967 /nfs/dbraw/zinc/43/29/67/948432967.db2.gz GZSHJEWKNSKZPR-CQSZACIVSA-N -1 3 370.446 1.931 20 30 FDEDHM C=C(C)Cn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CCO[C@@H](C)C1 ZINC001356608286 948509049 /nfs/dbraw/zinc/50/90/49/948509049.db2.gz XOWHJEZFSHYJMK-ZDUSSCGKSA-N -1 3 366.429 1.926 20 30 FDEDHM C=C(C)Cn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CCO[C@@H](C)C1 ZINC001356608286 948509055 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FDEDHM C#CCO[C@@H](C)C(=O)N1CCC(Nc2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573285846 946789909 /nfs/dbraw/zinc/78/99/09/946789909.db2.gz PDJWDIBSYWUCFZ-ZDUSSCGKSA-N -1 3 369.429 1.011 20 30 FDEDHM C#CCO[C@@H](C)C(=O)N1CCC(Nc2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573285846 946789915 /nfs/dbraw/zinc/78/99/15/946789915.db2.gz PDJWDIBSYWUCFZ-ZDUSSCGKSA-N -1 3 369.429 1.011 20 30 FDEDHM C#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nnn[n-]4)cn3)C2)cc1 ZINC001573286963 946824013 /nfs/dbraw/zinc/82/40/13/946824013.db2.gz DCGNQMOJPSERPF-OAHLLOKOSA-N -1 3 373.420 1.499 20 30 FDEDHM C#Cc1ccc(C(=O)NC[C@H]2CCN(c3ccc(-c4nn[n-]n4)cn3)C2)cc1 ZINC001573286963 946824026 /nfs/dbraw/zinc/82/40/26/946824026.db2.gz DCGNQMOJPSERPF-OAHLLOKOSA-N -1 3 373.420 1.499 20 30 FDEDHM CC(=O)c1cc(-c2nnn[n-]2)ccc1NC(=O)COc1ccc(C#N)cc1 ZINC001573550523 946861455 /nfs/dbraw/zinc/86/14/55/946861455.db2.gz ALNFVZHOQMPOSK-UHFFFAOYSA-N -1 3 362.349 1.958 20 30 FDEDHM CC(=O)c1cc(-c2nn[n-]n2)ccc1NC(=O)COc1ccc(C#N)cc1 ZINC001573550523 946861465 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20 30 FDEDHM C=C(Br)CNC(=O)NCCc1ccc(-c2nn[n-]n2)cc1 ZINC001573292512 946935608 /nfs/dbraw/zinc/93/56/08/946935608.db2.gz WUJDKRNMGDIXFQ-UHFFFAOYSA-N -1 3 351.208 1.617 20 30 FDEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573292846 946940553 /nfs/dbraw/zinc/94/05/53/946940553.db2.gz DXWOQZSOIOZGMP-RYUDHWBXSA-N -1 3 373.461 1.810 20 30 FDEDHM C=C(C)C(C)(C)C(=O)N[C@@H](C)C[C@H](C)NC(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001573292846 946940557 /nfs/dbraw/zinc/94/05/57/946940557.db2.gz DXWOQZSOIOZGMP-RYUDHWBXSA-N -1 3 373.461 1.810 20 30 FDEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)[C@@H]1C ZINC001573293030 946947613 /nfs/dbraw/zinc/94/76/13/946947613.db2.gz JYIJCVCXUWZEBW-OCCSQVGLSA-N -1 3 355.446 1.947 20 30 FDEDHM C=C(C)C(C)(C)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)[C@@H]1C ZINC001573293030 946947626 /nfs/dbraw/zinc/94/76/26/946947626.db2.gz JYIJCVCXUWZEBW-OCCSQVGLSA-N -1 3 355.446 1.947 20 30 FDEDHM 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C[C@@H](C#N)C(=O)NC[C@@H](Nc1ncccc1-c1nnn[n-]1)c1ccccc1 ZINC001573575578 947141829 /nfs/dbraw/zinc/14/18/29/947141829.db2.gz ACEPCPURFPRCLE-SWLSCSKDSA-N -1 3 362.397 1.691 20 30 FDEDHM C[C@@H](C#N)C(=O)NC[C@@H](Nc1ncccc1-c1nn[n-]n1)c1ccccc1 ZINC001573575578 947141834 /nfs/dbraw/zinc/14/18/34/947141834.db2.gz ACEPCPURFPRCLE-SWLSCSKDSA-N -1 3 362.397 1.691 20 30 FDEDHM C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573304862 947146237 /nfs/dbraw/zinc/14/62/37/947146237.db2.gz IBTFUNMQBUNEFD-GFCCVEGCSA-N -1 3 371.445 1.470 20 30 FDEDHM C=CC(C)(C)CC(=O)N(C)C[C@H]1CCN1C(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573304862 947146244 /nfs/dbraw/zinc/14/62/44/947146244.db2.gz IBTFUNMQBUNEFD-GFCCVEGCSA-N -1 3 371.445 1.470 20 30 FDEDHM C[C@H](C#N)C(=O)NC[C@@H]1CCCCN1Cc1ccc(-c2nnn[n-]2)s1 ZINC001573576634 947154230 /nfs/dbraw/zinc/15/42/30/947154230.db2.gz IMIXLZFPGHCSFW-NEPJUHHUSA-N -1 3 359.459 1.559 20 30 FDEDHM C=CC(C)(C)CC(=O)NC[C@H]1CCN(c2ncccc2-c2nnn[n-]2)C1 ZINC001573306225 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C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573585714 947265672 /nfs/dbraw/zinc/26/56/72/947265672.db2.gz IIZSGTCMWBFJTD-LFSVMHDDSA-N -1 3 355.377 1.391 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573585714 947265680 /nfs/dbraw/zinc/26/56/80/947265680.db2.gz IIZSGTCMWBFJTD-LFSVMHDDSA-N -1 3 355.377 1.391 20 30 FDEDHM C=C[C@@H](CC)CC(=O)NC1(CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CC1 ZINC001573316762 947281918 /nfs/dbraw/zinc/28/19/18/947281918.db2.gz ZAXSLLMZRYTIIN-NSHDSACASA-N -1 3 357.418 1.176 20 30 FDEDHM C=C[C@@H](CC)CC(=O)NC1(CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CC1 ZINC001573316762 947281934 /nfs/dbraw/zinc/28/19/34/947281934.db2.gz ZAXSLLMZRYTIIN-NSHDSACASA-N -1 3 357.418 1.176 20 30 FDEDHM C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C)ccc3-c3nnn[n-]3)C[C@H]21 ZINC001573319472 947330506 /nfs/dbraw/zinc/33/05/06/947330506.db2.gz OPKXCVBFZFRXPM-FICVDOATSA-N -1 3 367.457 1.723 20 30 FDEDHM C=CCC(C)(C)C(=O)N[C@@H]1[C@H]2CN(c3nc(C)ccc3-c3nn[n-]n3)C[C@H]21 ZINC001573319472 947330516 /nfs/dbraw/zinc/33/05/16/947330516.db2.gz OPKXCVBFZFRXPM-FICVDOATSA-N -1 3 367.457 1.723 20 30 FDEDHM C=CCCC(=O)N1CCO[C@@H](CNc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573330127 947430084 /nfs/dbraw/zinc/43/00/84/947430084.db2.gz UQBBTYRZKHQKFU-ZDUSSCGKSA-N -1 3 357.418 1.176 20 30 FDEDHM C=CCCC(=O)N1CCO[C@@H](CNc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573330127 947430091 /nfs/dbraw/zinc/43/00/91/947430091.db2.gz UQBBTYRZKHQKFU-ZDUSSCGKSA-N -1 3 357.418 1.176 20 30 FDEDHM C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573335622 947485319 /nfs/dbraw/zinc/48/53/19/947485319.db2.gz BTMAHBQPADUNAR-ZIAGYGMSSA-N -1 3 371.445 1.328 20 30 FDEDHM C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)N(c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573335622 947485324 /nfs/dbraw/zinc/48/53/24/947485324.db2.gz BTMAHBQPADUNAR-ZIAGYGMSSA-N -1 3 371.445 1.328 20 30 FDEDHM C=CCCOCC(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573336261 947503665 /nfs/dbraw/zinc/50/36/65/947503665.db2.gz LTDLFPIIMCNRSS-LBPRGKRZSA-N -1 3 362.409 1.539 20 30 FDEDHM C=CCCOCC(=O)N[C@@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573336261 947503672 /nfs/dbraw/zinc/50/36/72/947503672.db2.gz LTDLFPIIMCNRSS-LBPRGKRZSA-N -1 3 362.409 1.539 20 30 FDEDHM C=CCCOCC(=O)NCC1(Nc2ncccc2-c2nnn[n-]2)CCCC1 ZINC001573337400 947516616 /nfs/dbraw/zinc/51/66/16/947516616.db2.gz XADMRRCCHGKQQN-UHFFFAOYSA-N -1 3 371.445 1.695 20 30 FDEDHM C=CCCOCC(=O)NCC1(Nc2ncccc2-c2nn[n-]n2)CCCC1 ZINC001573337400 947516619 /nfs/dbraw/zinc/51/66/19/947516619.db2.gz XADMRRCCHGKQQN-UHFFFAOYSA-N -1 3 371.445 1.695 20 30 FDEDHM C=CCOCC(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573343369 947558196 /nfs/dbraw/zinc/55/81/96/947558196.db2.gz OAYGCTVLBUEQCO-GFCCVEGCSA-N -1 3 360.393 1.293 20 30 FDEDHM C=CCOCC(=O)NC[C@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573343369 947558199 /nfs/dbraw/zinc/55/81/99/947558199.db2.gz OAYGCTVLBUEQCO-GFCCVEGCSA-N -1 3 360.393 1.293 20 30 FDEDHM C=CCOCC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nnn[n-]3)nc2)C1 ZINC001573344194 947570115 /nfs/dbraw/zinc/57/01/15/947570115.db2.gz YVYJANSRTXSBIS-AWEZNQCLSA-N -1 3 371.445 1.139 20 30 FDEDHM C=CCOCC(=O)N1CCC[C@@H](CN(C)c2ccc(-c3nn[n-]n3)nc2)C1 ZINC001573344194 947570125 /nfs/dbraw/zinc/57/01/25/947570125.db2.gz YVYJANSRTXSBIS-AWEZNQCLSA-N -1 3 371.445 1.139 20 30 FDEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)Cc1c(C)cc(-c2nnn[n-]2)cc1C ZINC001573350413 947596703 /nfs/dbraw/zinc/59/67/03/947596703.db2.gz AZIJQCTUFXXCKE-CABCVRRESA-N -1 3 363.443 1.246 20 30 FDEDHM C=C[C@@H]1OCC[C@H]1NS(=O)(=O)Cc1c(C)cc(-c2nn[n-]n2)cc1C ZINC001573350413 947596712 /nfs/dbraw/zinc/59/67/12/947596712.db2.gz AZIJQCTUFXXCKE-CABCVRRESA-N -1 3 363.443 1.246 20 30 FDEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Nc2ncccc2-c2nnn[n-]2)C1 ZINC001573351891 947620532 /nfs/dbraw/zinc/62/05/32/947620532.db2.gz XHACUOYANGYBQY-GUTXKFCHSA-N -1 3 369.429 1.256 20 30 FDEDHM C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573351891 947620545 /nfs/dbraw/zinc/62/05/45/947620545.db2.gz XHACUOYANGYBQY-GUTXKFCHSA-N -1 3 369.429 1.256 20 30 FDEDHM CC#CCCCC(=O)N1CC[C@@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573358153 947656968 /nfs/dbraw/zinc/65/69/68/947656968.db2.gz BLEPZWYISMTLDX-OAHLLOKOSA-N -1 3 353.430 1.492 20 30 FDEDHM CC#CCCCC(=O)N1CC[C@@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573358153 947656974 /nfs/dbraw/zinc/65/69/74/947656974.db2.gz BLEPZWYISMTLDX-OAHLLOKOSA-N -1 3 353.430 1.492 20 30 FDEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC001351920001 948506642 /nfs/dbraw/zinc/50/66/42/948506642.db2.gz LJUPBCQNWPEZFZ-CABCVRRESA-N -1 3 366.429 1.925 20 30 FDEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N(C)[C@@H]1CC[C@@H]1OC ZINC001351920001 948506649 /nfs/dbraw/zinc/50/66/49/948506649.db2.gz LJUPBCQNWPEZFZ-CABCVRRESA-N -1 3 366.429 1.925 20 30 FDEDHM C=CC[C@@](C)([N-]S(=O)(=O)c1ccc(Br)cn1)C(=O)OC ZINC001196190160 971500057 /nfs/dbraw/zinc/50/00/57/971500057.db2.gz RDSDQEGPAOZXAF-GFCCVEGCSA-N -1 3 363.233 1.630 20 30 FDEDHM CC(C)(C#N)CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nnn[n-]3)cc2)C1=O ZINC001573761140 948837809 /nfs/dbraw/zinc/83/78/09/948837809.db2.gz DLUBZCWMWMTDMH-CQSZACIVSA-N -1 3 367.413 1.024 20 30 FDEDHM CC(C)(C#N)CC(=O)N[C@@H]1CCN(Cc2ccc(-c3nn[n-]n3)cc2)C1=O ZINC001573761140 948837826 /nfs/dbraw/zinc/83/78/26/948837826.db2.gz DLUBZCWMWMTDMH-CQSZACIVSA-N -1 3 367.413 1.024 20 30 FDEDHM C[C@@](C#N)(CC(=O)[O-])C(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC001602780726 971519686 /nfs/dbraw/zinc/51/96/86/971519686.db2.gz MMJFEKGYJBGSSR-FQEVSTJZSA-N -1 3 372.469 1.710 20 30 FDEDHM CCOCCn1cc(C([O-])=C(C#N)C(=O)Nc2cccc(OC)c2)cn1 ZINC000857010305 971530666 /nfs/dbraw/zinc/53/06/66/971530666.db2.gz KHQCVYZVDVAAJF-INIZCTEOSA-N -1 3 356.382 1.889 20 30 FDEDHM N#C[C@H](Cc1ccc(-c2nn[n-]n2)cc1)C(=O)N[C@@H]1C[C@H]1[C@@H]1CCCO1 ZINC001570956943 949869740 /nfs/dbraw/zinc/86/97/40/949869740.db2.gz CKDIOYAVMGWPBD-JJXSEGSLSA-N -1 3 352.398 1.233 20 30 FDEDHM N#Cc1ncn(CC[C@@H]2Sc3ccccc3NC2=O)c1-c1nnn[n-]1 ZINC001570958158 949914230 /nfs/dbraw/zinc/91/42/30/949914230.db2.gz RYQGJURGDYCQIG-LBPRGKRZSA-N -1 3 352.383 1.438 20 30 FDEDHM N#CC(C(=O)Cn1nc2n(c1=O)CCCC2)=C([O-])C1(c2ccccc2)CC1 ZINC000845845179 949971188 /nfs/dbraw/zinc/97/11/88/949971188.db2.gz WEOSHXNQRMGVLL-OAHLLOKOSA-N -1 3 364.405 1.391 20 30 FDEDHM C[C@@H](CNC(=O)c1c[nH]c(-c2nnn[n-]2)c1)N(C)c1cccc(F)c1C#N ZINC001574975182 950017694 /nfs/dbraw/zinc/01/76/94/950017694.db2.gz GAWIPQBDPVLRNK-JTQLQIEISA-N -1 3 368.376 1.460 20 30 FDEDHM C[C@@H](CNC(=O)c1c[nH]c(-c2nn[n-]n2)c1)N(C)c1cccc(F)c1C#N ZINC001574975182 950017715 /nfs/dbraw/zinc/01/77/15/950017715.db2.gz GAWIPQBDPVLRNK-JTQLQIEISA-N -1 3 368.376 1.460 20 30 FDEDHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nnn[n-]2)c1)Nc1ncccc1C#N ZINC001574737987 950163930 /nfs/dbraw/zinc/16/39/30/950163930.db2.gz AGQYDGXHXHVTFH-SNVBAGLBSA-N -1 3 351.374 1.034 20 30 FDEDHM C[C@H](CN(C)C(=O)c1c[nH]c(-c2nn[n-]n2)c1)Nc1ncccc1C#N ZINC001574737987 950163942 /nfs/dbraw/zinc/16/39/42/950163942.db2.gz AGQYDGXHXHVTFH-SNVBAGLBSA-N -1 3 351.374 1.034 20 30 FDEDHM C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nnn[n-]2)nc1 ZINC001574744735 950362485 /nfs/dbraw/zinc/36/24/85/950362485.db2.gz ADOUVOKGOOVGPT-JTQLQIEISA-N -1 3 351.374 1.034 20 30 FDEDHM C[C@@H](CN(C)C(=O)c1cc(C#N)c[nH]1)Nc1ccc(-c2nn[n-]n2)nc1 ZINC001574744735 950362507 /nfs/dbraw/zinc/36/25/07/950362507.db2.gz ADOUVOKGOOVGPT-JTQLQIEISA-N -1 3 351.374 1.034 20 30 FDEDHM C[C@H]1[C@@H](Nc2ccc(C#N)cn2)CCN1C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001575925374 950685902 /nfs/dbraw/zinc/68/59/02/950685902.db2.gz UPHUSDDXUHZCRI-GWCFXTLKSA-N -1 3 363.385 1.177 20 30 FDEDHM C[C@H]1[C@@H](Nc2ccc(C#N)cn2)CCN1C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC001575925374 950685914 /nfs/dbraw/zinc/68/59/14/950685914.db2.gz UPHUSDDXUHZCRI-GWCFXTLKSA-N -1 3 363.385 1.177 20 30 FDEDHM C=C(Cl)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001571004383 951143917 /nfs/dbraw/zinc/14/39/17/951143917.db2.gz MCRJEQOGIODMGE-ZIAGYGMSSA-N -1 3 361.837 1.626 20 30 FDEDHM C=C(Cl)CN1CC[C@@H]2[C@H]1CCCN2C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001571004383 951143924 /nfs/dbraw/zinc/14/39/24/951143924.db2.gz MCRJEQOGIODMGE-ZIAGYGMSSA-N -1 3 361.837 1.626 20 30 FDEDHM C=C[C@@H](C)O[N-]C(=O)[C@@H]1CCCN(S(=O)(=O)c2c(C)n[nH]c2C)C1 ZINC000846543018 951254261 /nfs/dbraw/zinc/25/42/61/951254261.db2.gz FPHWJYXFLCSBFU-ZWNOBZJWSA-N -1 3 356.448 1.050 20 30 FDEDHM C[C@H](CC(=O)N1CCC[C@H](F)C1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000846631367 951390308 /nfs/dbraw/zinc/39/03/08/951390308.db2.gz SFQQFIUVXUJTIT-NEPJUHHUSA-N -1 3 353.419 1.464 20 30 FDEDHM N#Cc1c(F)cccc1N[C@H]1C[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001571020795 951399825 /nfs/dbraw/zinc/39/98/25/951399825.db2.gz XHLZWGCHFNWKIN-MGCOHNPYSA-N -1 3 366.360 1.578 20 30 FDEDHM N#Cc1c(F)cccc1N[C@H]1C[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001571020795 951399832 /nfs/dbraw/zinc/39/98/32/951399832.db2.gz XHLZWGCHFNWKIN-MGCOHNPYSA-N -1 3 366.360 1.578 20 30 FDEDHM COc1cc(NC(=O)COc2ccc(C#N)cc2)c(F)cc1-c1nnn[n-]1 ZINC001571040097 951661616 /nfs/dbraw/zinc/66/16/16/951661616.db2.gz LVNXLJGOFUDGQQ-UHFFFAOYSA-N -1 3 368.328 1.904 20 30 FDEDHM COc1cc(NC(=O)COc2ccc(C#N)cc2)c(F)cc1-c1nn[n-]n1 ZINC001571040097 951661618 /nfs/dbraw/zinc/66/16/18/951661618.db2.gz LVNXLJGOFUDGQQ-UHFFFAOYSA-N -1 3 368.328 1.904 20 30 FDEDHM N#Cc1csc(CNC(=O)NCc2ccc(-c3nnn[n-]3)c(Cl)c2)n1 ZINC001571114684 952459045 /nfs/dbraw/zinc/45/90/45/952459045.db2.gz LQWNPYQVVFEVEA-UHFFFAOYSA-N -1 3 374.817 1.848 20 30 FDEDHM N#Cc1csc(CNC(=O)NCc2ccc(-c3nn[n-]n3)c(Cl)c2)n1 ZINC001571114684 952459049 /nfs/dbraw/zinc/45/90/49/952459049.db2.gz LQWNPYQVVFEVEA-UHFFFAOYSA-N -1 3 374.817 1.848 20 30 FDEDHM C=CCN1C(=O)CC[C@]12CCCN(C(=O)c1cc(O)c([O-])c(O)c1)CC2 ZINC001148584909 952758692 /nfs/dbraw/zinc/75/86/92/952758692.db2.gz ZOEXKDLXLCCKPX-IBGZPJMESA-N -1 3 360.410 1.977 20 30 FDEDHM C=CCCC[N-]S(=O)(=O)c1cnn(C)c1I ZINC000867206066 971959785 /nfs/dbraw/zinc/95/97/85/971959785.db2.gz DINFHIRXCIJABB-UHFFFAOYSA-N -1 3 355.201 1.269 20 30 FDEDHM C=C[C@H](C(=O)N1C[C@@H](CNCc2n[nH]c(=O)[n-]2)[C@H](C)C1)c1ccccc1 ZINC001094237104 960148411 /nfs/dbraw/zinc/14/84/11/960148411.db2.gz WSSFESSCBWEDMQ-BMFZPTHFSA-N -1 3 355.442 1.664 20 30 FDEDHM C=C[C@@H]1C[C@]1(N[C@H]1Cc2cccc(F)c2C1)C(=O)[N-]S(=O)(=O)C1CC1 ZINC001171779766 961296791 /nfs/dbraw/zinc/29/67/91/961296791.db2.gz AEAJJNGQTXWTKB-FHSNZYRGSA-N -1 3 364.442 1.436 20 30 FDEDHM Cc1ccsc1CCNC(=O)C/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000773341877 961397047 /nfs/dbraw/zinc/39/70/47/961397047.db2.gz SRIZMJRVTPAHBP-UHFFFAOYSA-N -1 3 363.464 1.454 20 30 FDEDHM COc1ccccc1C(=O)N1CC(C(=O)Nc2ccc([O-])c(C#N)c2)C1 ZINC001182225831 961643740 /nfs/dbraw/zinc/64/37/40/961643740.db2.gz CHBSGANEOACGKE-UHFFFAOYSA-N -1 3 351.362 1.983 20 30 FDEDHM Cc1cc(C(=O)N([O-])Cc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C ZINC001184349147 963557879 /nfs/dbraw/zinc/55/78/79/963557879.db2.gz WVMUCXNTQRFGIT-UHFFFAOYSA-N -1 3 372.356 1.111 20 30 FDEDHM CCOC(=O)c1cc(C#N)c(NC(=O)c2ccnc(N(C)C)n2)c(C)c1[O-] ZINC001188003597 965956257 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C=CC[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC ZINC001191265518 968360407 /nfs/dbraw/zinc/36/04/07/968360407.db2.gz WOKRHHKJXNVAOQ-AWEZNQCLSA-N -1 3 363.439 1.970 20 30 FDEDHM C=CC[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)OC ZINC001191265519 968360674 /nfs/dbraw/zinc/36/06/74/968360674.db2.gz WOKRHHKJXNVAOQ-CQSZACIVSA-N -1 3 363.439 1.970 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)OCCOC(F)F)ccc1F ZINC000853888202 968403632 /nfs/dbraw/zinc/40/36/32/968403632.db2.gz BKXULXDFQGJYBA-UHFFFAOYSA-N -1 3 353.318 1.686 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N[C@@H]2COC(C)(C)C2)ccc1F ZINC000855173802 970194773 /nfs/dbraw/zinc/19/47/73/970194773.db2.gz BUGQTDRFXOINKV-LBPRGKRZSA-N -1 3 356.419 1.587 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC2(COC)CCCC2)ccc1F ZINC000855217326 970218085 /nfs/dbraw/zinc/21/80/85/970218085.db2.gz UAZXLYIOPZFKOK-UHFFFAOYSA-N -1 3 370.446 1.979 20 30 FDEDHM O=C(C/N=C1/[N-]S(=O)(=O)c2ccccc21)N1CCC(c2ccco2)CC1 ZINC000855291945 970275071 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374.836 1.502 20 30 FDEDHM C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nnn[n-]4)cn3)C2)C1 ZINC001573296673 947052909 /nfs/dbraw/zinc/05/29/09/947052909.db2.gz WCQCUQQUGKNUHZ-XBXGTLAGSA-N -1 3 353.430 1.925 20 30 FDEDHM C=C1CC(C)(C(=O)NC[C@H]2C[C@@H](Nc3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573296673 947052919 /nfs/dbraw/zinc/05/29/19/947052919.db2.gz WCQCUQQUGKNUHZ-XBXGTLAGSA-N -1 3 353.430 1.925 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nnn[n-]2)cn1 ZINC001573568212 947070626 /nfs/dbraw/zinc/07/06/26/947070626.db2.gz ZHPOAYGNAQELIY-OCCSQVGLSA-N -1 3 354.418 1.239 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCCC[C@H]1CN(C)c1ccc(-c2nn[n-]n2)cn1 ZINC001573568212 947070635 /nfs/dbraw/zinc/07/06/35/947070635.db2.gz ZHPOAYGNAQELIY-OCCSQVGLSA-N -1 3 354.418 1.239 20 30 FDEDHM C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573569598 947072813 /nfs/dbraw/zinc/07/28/13/947072813.db2.gz CDDQCSSCFFHLCL-LXIYXOSZSA-N -1 3 366.429 1.462 20 30 FDEDHM C[C@@H](C#N)C(=O)N1C[C@@H]2CCC[C@]2(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573569598 947072825 /nfs/dbraw/zinc/07/28/25/947072825.db2.gz CDDQCSSCFFHLCL-LXIYXOSZSA-N -1 3 366.429 1.462 20 30 FDEDHM C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nnn[n-]1 ZINC001573571705 947101948 /nfs/dbraw/zinc/10/19/48/947101948.db2.gz ABSYOAZDPONOQV-WODVXLOZSA-N -1 3 369.404 1.781 20 30 FDEDHM C[C@@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1cccc(F)c1-c1nn[n-]n1 ZINC001573571705 947101956 /nfs/dbraw/zinc/10/19/56/947101956.db2.gz ABSYOAZDPONOQV-WODVXLOZSA-N -1 3 369.404 1.781 20 30 FDEDHM C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573300214 947107234 /nfs/dbraw/zinc/10/72/34/947107234.db2.gz JHTAGSOLNXVCFU-LBPRGKRZSA-N -1 3 357.418 1.128 20 30 FDEDHM C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573300214 947107245 /nfs/dbraw/zinc/10/72/45/947107245.db2.gz JHTAGSOLNXVCFU-LBPRGKRZSA-N -1 3 357.418 1.128 20 30 FDEDHM 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ZINC001573305534 947156381 /nfs/dbraw/zinc/15/63/81/947156381.db2.gz CYBNZEIKEUTYPJ-LLVKDONJSA-N -1 3 357.418 1.128 20 30 FDEDHM C=CC(C)(C)C(=O)NC[C@@]1(C)CN(c2ncccc2-c2nnn[n-]2)CCO1 ZINC001573305759 947160539 /nfs/dbraw/zinc/16/05/39/947160539.db2.gz VGKNFJGEQBZKAE-SFHVURJKSA-N -1 3 371.445 1.185 20 30 FDEDHM C=CC(C)(C)C(=O)NC[C@@]1(C)CN(c2ncccc2-c2nn[n-]n2)CCO1 ZINC001573305759 947160543 /nfs/dbraw/zinc/16/05/43/947160543.db2.gz VGKNFJGEQBZKAE-SFHVURJKSA-N -1 3 371.445 1.185 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@H]1CN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1(C)C ZINC001573577810 947174557 /nfs/dbraw/zinc/17/45/57/947174557.db2.gz SWYWLBFKHLINJE-NHYWBVRUSA-N -1 3 371.420 1.492 20 30 FDEDHM C[C@H](C#N)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCCCC1 ZINC001573577876 947176262 /nfs/dbraw/zinc/17/62/62/947176262.db2.gz USJIVFWMKUZDKP-GFCCVEGCSA-N -1 3 354.418 1.652 20 30 FDEDHM C[C@H](C#N)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCCCC1 ZINC001573577876 947176270 /nfs/dbraw/zinc/17/62/70/947176270.db2.gz 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CKDTZOXRUTYNHN-RYUDHWBXSA-N -1 3 354.418 1.142 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573584723 947232282 /nfs/dbraw/zinc/23/22/82/947232282.db2.gz CKDTZOXRUTYNHN-RYUDHWBXSA-N -1 3 354.418 1.142 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2Cc1ccc(-c2nnn[n-]2)s1 ZINC001573585043 947243136 /nfs/dbraw/zinc/24/31/36/947243136.db2.gz JIPUOKFADAYCEB-YGNMPJRFSA-N -1 3 357.443 1.309 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nnn[n-]2)nc1 ZINC001573585270 947253016 /nfs/dbraw/zinc/25/30/16/947253016.db2.gz MXTISAIGVUZXEH-YMRXKLBXSA-N -1 3 374.408 1.615 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H]1Cc2ccccc2[C@H]1Nc1ccc(-c2nn[n-]n2)nc1 ZINC001573585270 947253022 /nfs/dbraw/zinc/25/30/22/947253022.db2.gz MXTISAIGVUZXEH-YMRXKLBXSA-N -1 3 374.408 1.615 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@]12CCC[C@H]1CN(c1cccc(F)c1-c1nnn[n-]1)C2 ZINC001573586137 947276819 /nfs/dbraw/zinc/27/68/19/947276819.db2.gz KRBICYJJENOSNI-SOZUMNATSA-N -1 3 369.404 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367.457 1.786 20 30 FDEDHM C#CCCCC(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573283942 946730338 /nfs/dbraw/zinc/73/03/38/946730338.db2.gz OGYXAWKKJJJYRJ-ZDUSSCGKSA-N -1 3 356.405 1.752 20 30 FDEDHM C#CCCCC(=O)NC[C@@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573283942 946730351 /nfs/dbraw/zinc/73/03/51/946730351.db2.gz OGYXAWKKJJJYRJ-ZDUSSCGKSA-N -1 3 356.405 1.752 20 30 FDEDHM C#CCCCC(=O)N1CC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C1 ZINC001573284594 946751767 /nfs/dbraw/zinc/75/17/67/946751767.db2.gz GWLHCIYGJQTQFU-GFCCVEGCSA-N -1 3 359.821 1.731 20 30 FDEDHM C#CCCCC(=O)N1CC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C1 ZINC001573284594 946751774 /nfs/dbraw/zinc/75/17/74/946751774.db2.gz GWLHCIYGJQTQFU-GFCCVEGCSA-N -1 3 359.821 1.731 20 30 FDEDHM C#CCO[C@H](C)C(=O)N[C@H](CNc1cccc(F)c1-c1nnn[n-]1)C1CC1 ZINC001573285365 946774967 /nfs/dbraw/zinc/77/49/67/946774967.db2.gz GWHYWOQQKKRGNC-IAQYHMDHSA-N -1 3 372.404 1.351 20 30 FDEDHM C#CCO[C@H](C)C(=O)N[C@H](CNc1cccc(F)c1-c1nn[n-]n1)C1CC1 ZINC001573285365 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C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC1(C#N)CCSCC1 ZINC000270020246 537272310 /nfs/dbraw/zinc/27/23/10/537272310.db2.gz AEKMMVUJWMAUHU-NSHDSACASA-N -1 3 371.459 1.398 20 30 FDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N[C@@H]1COc2ccccc2[C@@H]1O ZINC000290500481 537362310 /nfs/dbraw/zinc/36/23/10/537362310.db2.gz FEYPKEYGPFWJBQ-APWZRJJASA-N -1 3 367.405 1.819 20 30 FDEDHM CC(C)[C@H]1CCN1S(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](C)C#N ZINC000349445576 537436827 /nfs/dbraw/zinc/43/68/27/537436827.db2.gz GJQQMQDSMIWZJG-QWHCGFSZSA-N -1 3 371.484 1.296 20 30 FDEDHM C=C(C)[C@@H]1OCC[C@@H]1C[N-]S(=O)(=O)c1cc(F)ccc1C(=O)OC ZINC000280760479 537457920 /nfs/dbraw/zinc/45/79/20/537457920.db2.gz NIQJCLSIAJOFGG-ABAIWWIYSA-N -1 3 357.403 1.872 20 30 FDEDHM C[C@@H](c1nc(-c2ccc([N-]S(C)(=O)=O)cc2)no1)n1cnc(C#N)n1 ZINC000349928327 537459798 /nfs/dbraw/zinc/45/97/98/537459798.db2.gz KXFWOYMNGROWFI-VIFPVBQESA-N -1 3 359.371 1.181 20 30 FDEDHM C[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1C#N)c1ncnn1C ZINC000276419746 537496963 /nfs/dbraw/zinc/49/69/63/537496963.db2.gz CGARYKAGVDPZJH-QMMMGPOBSA-N -1 3 359.333 1.745 20 30 FDEDHM COC(=O)CCCO[N-]C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000288825169 537550958 /nfs/dbraw/zinc/55/09/58/537550958.db2.gz MOVYUXAYPYPSGK-NSHDSACASA-N -1 3 369.399 1.379 20 30 FDEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@H]1CCOC2(CCSCC2)C1 ZINC000277277114 537608202 /nfs/dbraw/zinc/60/82/02/537608202.db2.gz YLOGSORODRMBTH-LBPRGKRZSA-N -1 3 353.469 1.676 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)N(C)C(C)(C)COC)ccc1F ZINC000294078460 537653198 /nfs/dbraw/zinc/65/31/98/537653198.db2.gz LGYCBMQLQDUVBQ-UHFFFAOYSA-N -1 3 358.435 1.787 20 30 FDEDHM Cc1cc(C[N-]S(=O)(=O)c2ccccc2C#N)nc(N2CCCC2)n1 ZINC000292057082 537703015 /nfs/dbraw/zinc/70/30/15/537703015.db2.gz OGAINWCSQOYSNN-UHFFFAOYSA-N -1 3 357.439 1.735 20 30 FDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000285741830 537753694 /nfs/dbraw/zinc/75/36/94/537753694.db2.gz JMWSQCZOSFWAJF-XJKSGUPXSA-N -1 3 372.469 1.530 20 30 FDEDHM COc1ccc(Cl)cc1-c1cc(=NC(=O)[C@H](C)n2cnc(C#N)n2)[nH][n-]1 ZINC000409630615 537870050 /nfs/dbraw/zinc/87/00/50/537870050.db2.gz KNZOJTFJXAGYJS-VIFPVBQESA-N -1 3 371.788 2.402 20 30 FDEDHM CC(C)(CC[N-]S(=O)(=O)c1cccc(Cl)c1C#N)S(C)(=O)=O ZINC000416605089 537900716 /nfs/dbraw/zinc/90/07/16/537900716.db2.gz XQTTWLDQUYFRQM-UHFFFAOYSA-N -1 3 364.876 1.703 20 30 FDEDHM N#Cc1ccc(CS(=O)(=O)[N-][C@H](c2nc[nH]n2)c2ccccc2)cc1 ZINC000367290432 537956750 /nfs/dbraw/zinc/95/67/50/537956750.db2.gz JWRNBVASUKDLTQ-INIZCTEOSA-N -1 3 353.407 1.885 20 30 FDEDHM C[C@H]1CCC[C@](C#N)([N-]S(=O)(=O)Cc2cccc(S(C)(=O)=O)c2)C1 ZINC000450990815 538177272 /nfs/dbraw/zinc/17/72/72/538177272.db2.gz JYPFFESKRNAEAO-BBRMVZONSA-N -1 3 370.496 1.982 20 30 FDEDHM N#CCN1CCC(C[N-]S(=O)(=O)c2cncc(Br)c2)CC1 ZINC000427797606 538238109 /nfs/dbraw/zinc/23/81/09/538238109.db2.gz MLITUMFLICQFRW-UHFFFAOYSA-N -1 3 373.276 1.358 20 30 FDEDHM N#Cc1nc(NCC[N-]S(=O)(=O)c2ccc(F)cc2F)ccc1Cl ZINC000440653553 538264528 /nfs/dbraw/zinc/26/45/28/538264528.db2.gz JGMGAYMLEWAGFI-UHFFFAOYSA-N -1 3 372.784 2.275 20 30 FDEDHM C=C[C@H](C)NS(=O)(=O)c1ccc([N-]S(=O)(=O)C(C)C)c(F)c1 ZINC000441856188 538339499 /nfs/dbraw/zinc/33/94/99/538339499.db2.gz BYRBVRRJFFBLEX-JTQLQIEISA-N -1 3 350.437 1.829 20 30 FDEDHM N#C[C@H]1CC[C@@H](NC(=O)CC[N-]S(=O)(=O)c2ccc(F)c(F)c2)C1 ZINC000424964885 538364390 /nfs/dbraw/zinc/36/43/90/538364390.db2.gz DTHVCWDOPUJBIL-WDEREUQCSA-N -1 3 357.382 1.442 20 30 FDEDHM CC(C)(C)OC(=O)[C@](C)(O)C[N-]S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000467074597 538602854 /nfs/dbraw/zinc/60/28/54/538602854.db2.gz LTNIDPNOABIKAD-OAHLLOKOSA-N -1 3 374.846 1.583 20 30 FDEDHM C=C(C)CS(=O)(=O)[N-][C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)OC ZINC000477603561 538658773 /nfs/dbraw/zinc/65/87/73/538658773.db2.gz OUDYIIYZFLJDMW-OAHLLOKOSA-N -1 3 354.403 1.887 20 30 FDEDHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cccc(CC#N)c1 ZINC000456724081 538716395 /nfs/dbraw/zinc/71/63/95/538716395.db2.gz FLCMJBMZFBEINX-NSHDSACASA-N -1 3 362.411 1.663 20 30 FDEDHM Cn1cc(C[N-]S(=O)(=O)c2ccc(C#N)c(F)c2)c(C(F)(F)F)n1 ZINC000489663119 538834675 /nfs/dbraw/zinc/83/46/75/538834675.db2.gz HNRZMZUSVDBKIY-UHFFFAOYSA-N -1 3 362.308 1.928 20 30 FDEDHM CCOC(=O)c1nc(C2CCN(C(=O)c3ccc(C#N)cn3)CC2)n[n-]1 ZINC000562541264 546173173 /nfs/dbraw/zinc/17/31/73/546173173.db2.gz RBGGTBLZTXOITB-UHFFFAOYSA-N -1 3 354.370 1.268 20 30 FDEDHM CCOC(=O)c1nnc(C2CCN(C(=O)c3ccc(C#N)cn3)CC2)[n-]1 ZINC000562541264 546173179 /nfs/dbraw/zinc/17/31/79/546173179.db2.gz RBGGTBLZTXOITB-UHFFFAOYSA-N -1 3 354.370 1.268 20 30 FDEDHM N#Cc1ccc(S(=O)(=O)[N-]CCN2C[C@H]3CC[C@@H](C2)O3)c(Cl)c1 ZINC000562551285 546177457 /nfs/dbraw/zinc/17/74/57/546177457.db2.gz SJILVFFCULPBAP-BETUJISGSA-N -1 3 355.847 1.353 20 30 FDEDHM C[C@@H]([N-]S(=O)(=O)c1cc(Br)ccc1C#N)C(=O)N(C)C ZINC000562780318 546263540 /nfs/dbraw/zinc/26/35/40/546263540.db2.gz NFGWOBLCUQUXQA-MRVPVSSYSA-N -1 3 360.233 1.076 20 30 FDEDHM N#Cc1ncccc1S(=O)(=O)[N-][C@@H](C1CCOCC1)C1(CO)CCC1 ZINC000563019425 546358322 /nfs/dbraw/zinc/35/83/22/546358322.db2.gz NFTGNKSMLUHQNK-INIZCTEOSA-N -1 3 365.455 1.189 20 30 FDEDHM N#CC1(CS(=O)(=O)[N-]C[C@]2(O)CCN(Cc3ccccc3)C2)CCC1 ZINC000564354936 546890103 /nfs/dbraw/zinc/89/01/03/546890103.db2.gz HOJRYKTWPGZPDC-GOSISDBHSA-N -1 3 363.483 1.237 20 30 FDEDHM CCS(=O)(=O)c1ccc(C[N-]S(=O)(=O)c2ccc(C#N)o2)cc1 ZINC000565557145 547397030 /nfs/dbraw/zinc/39/70/30/547397030.db2.gz FICDJGLBMZKNQZ-UHFFFAOYSA-N -1 3 354.409 1.423 20 30 FDEDHM CC(C)(C#N)CCS(=O)(=O)[N-]c1cnn(CC(=O)NC2CCCC2)c1 ZINC000566623257 547830860 /nfs/dbraw/zinc/83/08/60/547830860.db2.gz DIDCVFPKGCXMQW-UHFFFAOYSA-N -1 3 367.475 1.623 20 30 FDEDHM C[C@@H](NS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N)C1CC1 ZINC000568255782 548460943 /nfs/dbraw/zinc/46/09/43/548460943.db2.gz CFHHAUXHVMZPBM-LLVKDONJSA-N -1 3 371.484 1.344 20 30 FDEDHM CC(C)CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000568664194 548630711 /nfs/dbraw/zinc/63/07/11/548630711.db2.gz NISPPCJHNRXLPG-UHFFFAOYSA-N -1 3 373.500 1.544 20 30 FDEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C)CCC1 ZINC000569020927 548770193 /nfs/dbraw/zinc/77/01/93/548770193.db2.gz KKRJEHJCOIUZAR-UHFFFAOYSA-N -1 3 371.484 1.488 20 30 FDEDHM N#C[C@@H]1CN(C(=O)c2cc(=O)[n-]c(C3CC3)n2)CCN1Cc1ccccc1 ZINC000569255899 548853303 /nfs/dbraw/zinc/85/33/03/548853303.db2.gz AOJNMVIUDHALHZ-MRXNPFEDSA-N -1 3 363.421 1.910 20 30 FDEDHM COc1cc(C#N)ccc1NC(=O)N1CCC[C@@H]1C[C@@]1(C)NC(=O)[N-]C1=O ZINC000570836371 549430658 /nfs/dbraw/zinc/43/06/58/549430658.db2.gz VPSXBHPEKRGGEW-KZULUSFZSA-N -1 3 371.397 1.551 20 30 FDEDHM C=CCc1ccc(OC[C@@H](O)CN2CCSC[C@H]2C(=O)[O-])c(OC)c1 ZINC000571657620 549725219 /nfs/dbraw/zinc/72/52/19/549725219.db2.gz AIYJAVLZARLDFB-GJZGRUSLSA-N -1 3 367.467 1.665 20 30 FDEDHM CCOC(=O)[C@H](CCOC)[N-]S(=O)(=O)Cc1ccc(CC#N)cc1 ZINC000571876909 549789032 /nfs/dbraw/zinc/78/90/32/549789032.db2.gz BCDOUBIUPGJLBA-HNNXBMFYSA-N -1 3 354.428 1.140 20 30 FDEDHM COc1cc(=NC(=O)N2CCC(Oc3ccc(C#N)cc3)CC2)[n-]n1C ZINC000574951791 550398472 /nfs/dbraw/zinc/39/84/72/550398472.db2.gz OKMVDSNPPZCCHP-UHFFFAOYSA-N -1 3 355.398 2.376 20 30 FDEDHM CC(C)(C#N)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)NC1CCCC1 ZINC000576411497 550546570 /nfs/dbraw/zinc/54/65/70/550546570.db2.gz RVACYZWMCLDUNW-UHFFFAOYSA-N -1 3 371.484 1.488 20 30 FDEDHM CC[C@H](C)[N-]S(=O)(=O)c1ccccc1S(=O)(=O)N(C)[C@@H](C)C#N ZINC000576598559 550566872 /nfs/dbraw/zinc/56/68/72/550566872.db2.gz QUVXBQGDUKHXHV-RYUDHWBXSA-N -1 3 359.473 1.296 20 30 FDEDHM Cn1nccc1[C@H]1C[C@@H]([N-]S(=O)(=O)c2ccc(F)cc2C#N)CCO1 ZINC000578028094 550720714 /nfs/dbraw/zinc/72/07/14/550720714.db2.gz KQGMPSOBECWKNQ-DZGCQCFKSA-N -1 3 364.402 1.629 20 30 FDEDHM CNC(=O)[C@H](CCSC)[N-]S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000579766182 550907870 /nfs/dbraw/zinc/90/78/70/550907870.db2.gz JLGCPIBMGBKQQM-NSHDSACASA-N -1 3 361.876 1.358 20 30 FDEDHM COC(=O)[C@H]([N-]S(=O)(=O)CC1(CC#N)CC1)[C@H]1CCC[C@H](OC)C1 ZINC000581015197 551043270 /nfs/dbraw/zinc/04/32/70/551043270.db2.gz HGNNHOXEOYNYRN-MELADBBJSA-N -1 3 358.460 1.346 20 30 FDEDHM CC[C@H](C)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)[N-]C(C)(C)C#N ZINC000583094959 551302785 /nfs/dbraw/zinc/30/27/85/551302785.db2.gz SEWHRBDMTLUGFZ-LBPRGKRZSA-N -1 3 373.500 1.686 20 30 FDEDHM N#Cc1ccc2c(c1)N(C(=O)C[N-]S(=O)(=O)c1ccccc1F)CC2 ZINC000583293984 551330802 /nfs/dbraw/zinc/33/08/02/551330802.db2.gz IYUGDCHVNUGZPF-UHFFFAOYSA-N -1 3 359.382 1.565 20 30 FDEDHM COc1cc(C#N)ccc1S(=O)(=O)[N-][C@H]1CC[C@@](O)(C(F)(F)F)C1 ZINC000589922461 551751635 /nfs/dbraw/zinc/75/16/35/551751635.db2.gz HCQNCBWOFWAUEY-GWCFXTLKSA-N -1 3 364.345 1.691 20 30 FDEDHM CC(C)[C@H]([N-]S(=O)(=O)Cc1ccc(F)cc1C#N)C(=O)N1CCCC1 ZINC000590747063 551810950 /nfs/dbraw/zinc/81/09/50/551810950.db2.gz MBDKTDQBSIQMJL-INIZCTEOSA-N -1 3 367.446 1.764 20 30 FDEDHM N#Cc1ccc(Br)cc1S(=O)(=O)[N-][C@@H](CO)CC1CC1 ZINC000591327431 551862313 /nfs/dbraw/zinc/86/23/13/551862313.db2.gz ZJMGFNMYASLJSA-GFCCVEGCSA-N -1 3 359.245 1.760 20 30 FDEDHM C=CCN1CCC([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2F)CC1 ZINC000592285141 551972281 /nfs/dbraw/zinc/97/22/81/551972281.db2.gz MBGJERDFWCNXBC-UHFFFAOYSA-N -1 3 355.435 1.713 20 30 FDEDHM N#CC1(CNC(=O)Nc2ccc(C[C@@H]3NC(=O)[N-]C3=O)cc2)CCCC1 ZINC000593175954 552070078 /nfs/dbraw/zinc/07/00/78/552070078.db2.gz MBZCWFLIONOTKK-AWEZNQCLSA-N -1 3 355.398 1.643 20 30 FDEDHM COCCN1CCN(C(=O)CCc2c(C)[n-]c(=O)c(C#N)c2C)C(C)(C)C1 ZINC000593340605 552092081 /nfs/dbraw/zinc/09/20/81/552092081.db2.gz ZFOCPRAGOCJWAQ-UHFFFAOYSA-N -1 3 374.485 1.778 20 30 FDEDHM Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000593355621 552095043 /nfs/dbraw/zinc/09/50/43/552095043.db2.gz CBSLUQBXTMICRO-HZPDHXFCSA-N -1 3 359.426 1.613 20 30 FDEDHM CCO[C@@H]1C[C@@]([N-]S(=O)(=O)c2ccsc2C#N)(C(=O)OC)C1(C)C ZINC000593588994 552144889 /nfs/dbraw/zinc/14/48/89/552144889.db2.gz QAASUFPPAHNYPG-IUODEOHRSA-N -1 3 372.468 1.645 20 30 FDEDHM N#Cc1sccc1S(=O)(=O)[N-]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000593594697 552146970 /nfs/dbraw/zinc/14/69/70/552146970.db2.gz CQDWJWHNVVSWLR-LLVKDONJSA-N -1 3 369.390 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/nfs/dbraw/zinc/77/28/90/946772890.db2.gz VMVQECWBYXKIMY-OAHLLOKOSA-N -1 3 356.405 1.500 20 30 FDEDHM C#CCCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nnn[n-]1 ZINC001573285281 946773904 /nfs/dbraw/zinc/77/39/04/946773904.db2.gz VEXLKSWLPIZCFY-JKSUJKDBSA-N -1 3 365.441 1.635 20 30 FDEDHM C#CCCCC(=O)N1CCC[C@H]2[C@H]1CCN2c1ncccc1-c1nn[n-]n1 ZINC001573285281 946773911 /nfs/dbraw/zinc/77/39/11/946773911.db2.gz VEXLKSWLPIZCFY-JKSUJKDBSA-N -1 3 365.441 1.635 20 30 FDEDHM C#CCOCCC(=O)N(C)C1CC(Nc2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573286387 946806120 /nfs/dbraw/zinc/80/61/20/946806120.db2.gz AIGCIORMJFORDP-UHFFFAOYSA-N -1 3 372.404 1.447 20 30 FDEDHM C#CCOCCC(=O)N(C)C1CC(Nc2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573286387 946806130 /nfs/dbraw/zinc/80/61/30/946806130.db2.gz AIGCIORMJFORDP-UHFFFAOYSA-N -1 3 372.404 1.447 20 30 FDEDHM C#Cc1ccc(C(=O)NC2CC(CNc3ccc(-c4nnn[n-]4)cn3)C2)cn1 ZINC001573287095 946826593 /nfs/dbraw/zinc/82/65/93/946826593.db2.gz DYKOIOSJARPZDR-UHFFFAOYSA-N -1 3 374.408 1.259 20 30 FDEDHM C#Cc1ccc(C(=O)NC2CC(CNc3ccc(-c4nn[n-]n4)cn3)C2)cn1 ZINC001573287095 946826603 /nfs/dbraw/zinc/82/66/03/946826603.db2.gz DYKOIOSJARPZDR-UHFFFAOYSA-N -1 3 374.408 1.259 20 30 FDEDHM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nnn[n-]3)[C@@H]2C)cn1 ZINC001573287799 946845232 /nfs/dbraw/zinc/84/52/32/946845232.db2.gz LAAGEHLHYLQRAO-BLLLJJGKSA-N -1 3 374.408 1.353 20 30 FDEDHM C#Cc1ccc(C(=O)N2CC[C@@H](Nc3ncccc3-c3nn[n-]n3)[C@@H]2C)cn1 ZINC001573287799 946845236 /nfs/dbraw/zinc/84/52/36/946845236.db2.gz LAAGEHLHYLQRAO-BLLLJJGKSA-N -1 3 374.408 1.353 20 30 FDEDHM C#Cc1cncc(C(=O)NC[C@@H](C)Nc2cccc(F)c2-c2nnn[n-]2)c1 ZINC001573292566 946935422 /nfs/dbraw/zinc/93/54/22/946935422.db2.gz XTAAKGKQPIFOAL-LLVKDONJSA-N -1 3 365.372 1.613 20 30 FDEDHM C#Cc1cncc(C(=O)NC[C@@H](C)Nc2cccc(F)c2-c2nn[n-]n2)c1 ZINC001573292566 946935427 /nfs/dbraw/zinc/93/54/27/946935427.db2.gz XTAAKGKQPIFOAL-LLVKDONJSA-N -1 3 365.372 1.613 20 30 FDEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)c2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573292794 946939477 /nfs/dbraw/zinc/93/94/77/946939477.db2.gz CHODEVIHAPSWHL-AWEZNQCLSA-N -1 3 355.446 1.901 20 30 FDEDHM C=C(C)C(C)(C)C(=O)N1CC[C@H](N(C)c2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573292794 946939491 /nfs/dbraw/zinc/93/94/91/946939491.db2.gz CHODEVIHAPSWHL-AWEZNQCLSA-N -1 3 355.446 1.901 20 30 FDEDHM C[C@H](C#N)C(=O)N1C[C@@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)C(C)(C)C1 ZINC001573562341 946975253 /nfs/dbraw/zinc/97/52/53/946975253.db2.gz SMOAOPDEEXXKSW-BXKDBHETSA-N -1 3 374.836 1.724 20 30 FDEDHM C[C@H](C#N)C(=O)N1C[C@@H](Nc2ncc(-c3nn[n-]n3)cc2Cl)C(C)(C)C1 ZINC001573562341 946975262 /nfs/dbraw/zinc/97/52/62/946975262.db2.gz SMOAOPDEEXXKSW-BXKDBHETSA-N -1 3 374.836 1.724 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC(CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573564711 946994236 /nfs/dbraw/zinc/99/42/36/946994236.db2.gz KBUIIYQUCMEKSJ-JTQLQIEISA-N -1 3 358.381 1.211 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC(CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573564711 946994249 /nfs/dbraw/zinc/99/42/49/946994249.db2.gz KBUIIYQUCMEKSJ-JTQLQIEISA-N -1 3 358.381 1.211 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC(N(C)c2cccc(F)c2-c2nnn[n-]2)CC1 ZINC001573565813 947016379 /nfs/dbraw/zinc/01/63/79/947016379.db2.gz WFRJVGWPSVIACE-NSHDSACASA-N -1 3 357.393 1.593 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC(N(C)c2cccc(F)c2-c2nn[n-]n2)CC1 ZINC001573565813 947016387 /nfs/dbraw/zinc/01/63/87/947016387.db2.gz WFRJVGWPSVIACE-NSHDSACASA-N -1 3 357.393 1.593 20 30 FDEDHM C=C(CCC(=O)OC)C(=O)NC1(c2ccc(-c3nnn[n-]3)cc2)CCC1 ZINC001573295445 947019412 /nfs/dbraw/zinc/01/94/12/947019412.db2.gz RMUBYCLUELJWSB-UHFFFAOYSA-N -1 3 355.398 1.872 20 30 FDEDHM C=C(CCC(=O)OC)C(=O)NC1(c2ccc(-c3nn[n-]n3)cc2)CCC1 ZINC001573295445 947019424 /nfs/dbraw/zinc/01/94/24/947019424.db2.gz RMUBYCLUELJWSB-UHFFFAOYSA-N -1 3 355.398 1.872 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCCC[C@H]1CNc1cccc(F)c1-c1nnn[n-]1 ZINC001573567403 947043044 /nfs/dbraw/zinc/04/30/44/947043044.db2.gz MSRNXPRGRWHYLR-NEPJUHHUSA-N -1 3 357.393 1.958 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCCC[C@H]1CNc1cccc(F)c1-c1nn[n-]n1 ZINC001573567403 947043058 /nfs/dbraw/zinc/04/30/58/947043058.db2.gz MSRNXPRGRWHYLR-NEPJUHHUSA-N -1 3 357.393 1.958 20 30 FDEDHM C=C1CC(C)(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nnn[n-]4)[nH]3)C2)C1 ZINC001573296376 947046578 /nfs/dbraw/zinc/04/65/78/947046578.db2.gz OIHWXFQGKUEJES-TXEJJXNPSA-N -1 3 369.429 1.176 20 30 FDEDHM C=C1CC(C)(C(=O)N[C@H]2C[C@@H](CNC(=O)c3ccc(-c4nn[n-]n4)[nH]3)C2)C1 ZINC001573296376 947046588 /nfs/dbraw/zinc/04/65/88/947046588.db2.gz OIHWXFQGKUEJES-TXEJJXNPSA-N -1 3 369.429 1.176 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573568026 947062078 /nfs/dbraw/zinc/06/20/78/947062078.db2.gz WMPUKXYPGKXJHR-RYUDHWBXSA-N -1 3 372.408 1.235 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC[C@@H](CN(C)c2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573568026 947062084 /nfs/dbraw/zinc/06/20/84/947062084.db2.gz WMPUKXYPGKXJHR-RYUDHWBXSA-N -1 3 372.408 1.235 20 30 FDEDHM 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/nfs/dbraw/zinc/99/50/85/607995085.db2.gz NJANGMOZBLWBSY-AWEZNQCLSA-N -1 3 358.446 1.973 20 30 FDEDHM N#CC1(C(=O)N2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)CCOCC1 ZINC000826380145 608081279 /nfs/dbraw/zinc/08/12/79/608081279.db2.gz OVMQMNKRCLOFPD-HNNXBMFYSA-N -1 3 368.397 1.087 20 30 FDEDHM N#CC1(C(=O)N2CCO[C@H](c3cccc(-c4nn[n-]n4)c3)C2)CCOCC1 ZINC000826380145 608081280 /nfs/dbraw/zinc/08/12/80/608081280.db2.gz OVMQMNKRCLOFPD-HNNXBMFYSA-N -1 3 368.397 1.087 20 30 FDEDHM N#Cc1cccc([C@H]2CN(C(=O)Cc3ccc(-c4nnn[n-]4)cc3)CCO2)c1 ZINC000826386426 608086369 /nfs/dbraw/zinc/08/63/69/608086369.db2.gz DFIITIWCKBYJKD-GOSISDBHSA-N -1 3 374.404 1.881 20 30 FDEDHM N#Cc1cccc([C@H]2CN(C(=O)Cc3ccc(-c4nn[n-]n4)cc3)CCO2)c1 ZINC000826386426 608086370 /nfs/dbraw/zinc/08/63/70/608086370.db2.gz DFIITIWCKBYJKD-GOSISDBHSA-N -1 3 374.404 1.881 20 30 FDEDHM N#CCCN(Cc1ccccn1)C(=O)CNc1ccc(-c2nnn[n-]2)cn1 ZINC000826381358 608223883 /nfs/dbraw/zinc/22/38/83/608223883.db2.gz IOJXTROBGFRVHD-UHFFFAOYSA-N -1 3 363.385 1.011 20 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/nfs/dbraw/zinc/55/73/24/608557324.db2.gz FVXMGIOCIBHQLM-UHFFFAOYSA-N -1 3 363.385 1.725 20 30 FDEDHM Cc1cc(C(=O)N(C)[C@@H](C)CC#N)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826257117 609161733 /nfs/dbraw/zinc/16/17/33/609161733.db2.gz OHTHQSFQMOYLKK-NSHDSACASA-N -1 3 350.386 1.735 20 30 FDEDHM Cc1cc(C(=O)N(C)[C@@H](C)CC#N)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826257117 609161734 /nfs/dbraw/zinc/16/17/34/609161734.db2.gz OHTHQSFQMOYLKK-NSHDSACASA-N -1 3 350.386 1.735 20 30 FDEDHM N#Cc1nc(N)n(CCc2cccc(OC(F)(F)F)c2)c1-c1nnn[n-]1 ZINC000826387807 609176899 /nfs/dbraw/zinc/17/68/99/609176899.db2.gz RQQUTUAUYNDHKK-UHFFFAOYSA-N -1 3 364.291 1.658 20 30 FDEDHM N#Cc1nc(N)n(CCc2cccc(OC(F)(F)F)c2)c1-c1nn[n-]n1 ZINC000826387807 609176900 /nfs/dbraw/zinc/17/69/00/609176900.db2.gz RQQUTUAUYNDHKK-UHFFFAOYSA-N -1 3 364.291 1.658 20 30 FDEDHM N#CCOc1cccc(NC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c1 ZINC000826382204 609201355 /nfs/dbraw/zinc/20/13/55/609201355.db2.gz SUSHDMVXWPOJOK-OAHLLOKOSA-N -1 3 350.338 1.441 20 30 FDEDHM N#CCOc1cccc(NC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c1 ZINC000826382204 609201357 /nfs/dbraw/zinc/20/13/57/609201357.db2.gz SUSHDMVXWPOJOK-OAHLLOKOSA-N -1 3 350.338 1.441 20 30 FDEDHM Cc1nnc(SCC(=O)N(CCC#N)CCC#N)c(-c2nnn[n-]2)c1C ZINC000826336636 609306964 /nfs/dbraw/zinc/30/69/64/609306964.db2.gz HDCWZSIYXODTLD-UHFFFAOYSA-N -1 3 371.430 1.022 20 30 FDEDHM Cc1nnc(SCC(=O)N(CCC#N)CCC#N)c(-c2nn[n-]n2)c1C ZINC000826336636 609306965 /nfs/dbraw/zinc/30/69/65/609306965.db2.gz HDCWZSIYXODTLD-UHFFFAOYSA-N -1 3 371.430 1.022 20 30 FDEDHM C=CC[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823888865 609602115 /nfs/dbraw/zinc/60/21/15/609602115.db2.gz ZCFABSZMGQMYGK-IUODEOHRSA-N -1 3 369.429 1.626 20 30 FDEDHM C=CC[C@@H](C)NC(=O)N[C@@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823888865 609602118 /nfs/dbraw/zinc/60/21/18/609602118.db2.gz ZCFABSZMGQMYGK-IUODEOHRSA-N -1 3 369.429 1.626 20 30 FDEDHM C=CCOCCNC(=O)N1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000823925604 609619753 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CC(C)(C)c1nnc(S(=O)(=O)CC(=O)NCc2ccc(C#N)cc2)[n-]1 ZINC000278125672 675096787 /nfs/dbraw/zinc/09/67/87/675096787.db2.gz CYMFADIFTJHKLM-UHFFFAOYSA-N -1 3 361.427 1.064 20 30 FDEDHM CC(C)(C)c1n[n-]c(S(=O)(=O)CC(=O)NCc2ccc(C#N)cc2)n1 ZINC000278125672 675096790 /nfs/dbraw/zinc/09/67/90/675096790.db2.gz CYMFADIFTJHKLM-UHFFFAOYSA-N -1 3 361.427 1.064 20 30 FDEDHM N#CC1CCN(C(=O)c2c(F)ccc(S(=O)(=O)[N-]C3CC3)c2F)CC1 ZINC000105597796 671602515 /nfs/dbraw/zinc/60/25/15/671602515.db2.gz CERHLBLQLBWDER-UHFFFAOYSA-N -1 3 369.393 1.781 20 30 FDEDHM C#CCNS(=O)(=O)c1ccc(C(=O)NCc2ccc([O-])c(F)c2)cc1 ZINC000133062742 671818349 /nfs/dbraw/zinc/81/83/49/671818349.db2.gz XQBHUWNTDPWKKP-UHFFFAOYSA-N -1 3 362.382 1.373 20 30 FDEDHM C#CCNC(=O)c1c[n-]c2ccc(I)cc2c1=O ZINC000153606670 671904975 /nfs/dbraw/zinc/90/49/75/671904975.db2.gz APAGXSZFYORWMM-UHFFFAOYSA-N -1 3 352.131 1.496 20 30 FDEDHM C=CC[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)C[C@@H](C)O)ccc1F ZINC000153748509 671907732 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FDEDHM C#CCCS(=O)(=O)[N-][C@H]1CN(c2ccc(Br)cc2)C1=O ZINC000292129402 676285337 /nfs/dbraw/zinc/28/53/37/676285337.db2.gz XPEVFWVSSYDHRF-LBPRGKRZSA-N -1 3 357.229 1.107 20 30 FDEDHM COc1ccccc1N1CC[C@@H]([N-]S(=O)(=O)CC(C)(C)CC#N)C1=O ZINC000296081207 676413971 /nfs/dbraw/zinc/41/39/71/676413971.db2.gz CNBHPGJVHZHKDK-CYBMUJFWSA-N -1 3 365.455 1.660 20 30 FDEDHM N#Cc1ccsc1N1CC[C@@H](N2CCC(c3nc(=O)[n-][nH]3)CC2)C1=O ZINC000298610205 676481131 /nfs/dbraw/zinc/48/11/31/676481131.db2.gz TVCHBVNWPBCYJX-GFCCVEGCSA-N -1 3 358.427 1.016 20 30 FDEDHM O=C(C[N-]S(=O)(=O)c1ccc(Cl)s1)N[C@H]1CCCNC1=O ZINC000328745255 676605153 /nfs/dbraw/zinc/60/51/53/676605153.db2.gz PFEMRMIJTVSASU-ZETCQYMHSA-N -1 3 351.837 1.755 20 30 FDEDHM C[C@@H](/N=C1/[N-]S(=O)(=O)c2ccccc21)C(=O)N1CCCC2(CCC2)C1 ZINC000366252668 677426372 /nfs/dbraw/zinc/42/63/72/677426372.db2.gz OSLXYYIGMPYZOU-CYBMUJFWSA-N -1 3 361.467 1.906 20 30 FDEDHM Cc1cc(C#N)cc(N2CCC[C@H](c3n[nH]cc3[N-]S(C)(=O)=O)C2)n1 ZINC000376404867 678296669 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947001373 /nfs/dbraw/zinc/00/13/73/947001373.db2.gz JKAZSTXFGCDCGE-INIZCTEOSA-N -1 3 363.853 1.779 20 30 FDEDHM C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573295086 947005171 /nfs/dbraw/zinc/00/51/71/947005171.db2.gz LYZAXDUBIHZVLY-CYBMUJFWSA-N -1 3 363.853 1.922 20 30 FDEDHM C=C(Cl)CN1CCCCC[C@@H]1CNC(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573295086 947005184 /nfs/dbraw/zinc/00/51/84/947005184.db2.gz LYZAXDUBIHZVLY-CYBMUJFWSA-N -1 3 363.853 1.922 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC(CN(C)c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573565679 947012337 /nfs/dbraw/zinc/01/23/37/947012337.db2.gz UEJMMTVAWLWJEF-LBPRGKRZSA-N -1 3 354.418 1.096 20 30 FDEDHM C[C@@H](C#N)C(=O)N1CCC(CN(C)c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573565679 947012348 /nfs/dbraw/zinc/01/23/48/947012348.db2.gz UEJMMTVAWLWJEF-LBPRGKRZSA-N -1 3 354.418 1.096 20 30 FDEDHM C=C(Cl)CN1CC[C@H](N(CCC)C(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573295284 947015323 /nfs/dbraw/zinc/01/53/23/947015323.db2.gz NKVVDIBMBUEFAH-ZDUSSCGKSA-N -1 3 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C[C@H](C#N)C(=O)N1CCCCC[C@H](Nc2ncccc2-c2nn[n-]n2)C1 ZINC001573568073 947064486 /nfs/dbraw/zinc/06/44/86/947064486.db2.gz XEDLYODMZPPXDA-OLZOCXBDSA-N -1 3 354.418 1.604 20 30 FDEDHM C=C(C)CCC(=O)N1CCCN(c2ccc(-c3nnn[n-]3)c(C)n2)CC1 ZINC001573299558 947097329 /nfs/dbraw/zinc/09/73/29/947097329.db2.gz KDPLPTVPRSGGDH-UHFFFAOYSA-N -1 3 355.446 1.965 20 30 FDEDHM C=C(C)CCC(=O)N1CCCN(c2ccc(-c3nn[n-]n3)c(C)n2)CC1 ZINC001573299558 947097339 /nfs/dbraw/zinc/09/73/39/947097339.db2.gz KDPLPTVPRSGGDH-UHFFFAOYSA-N -1 3 355.446 1.965 20 30 FDEDHM C=C(C)C[C@@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573300047 947104994 /nfs/dbraw/zinc/10/49/94/947104994.db2.gz NOXUTDKVVYWFID-OCCSQVGLSA-N -1 3 371.445 1.470 20 30 FDEDHM C=C(C)C[C@@H](C)C(=O)N1CC[C@H]1CN(C)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573300047 947104999 /nfs/dbraw/zinc/10/49/99/947104999.db2.gz NOXUTDKVVYWFID-OCCSQVGLSA-N -1 3 371.445 1.470 20 30 FDEDHM C=CC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 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NEQQWSVTWMCJBM-NSHDSACASA-N -1 3 357.393 1.641 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C ZINC001573573783 947125667 /nfs/dbraw/zinc/12/56/67/947125667.db2.gz PMCDZWNLPBHJBU-RISCZKNCSA-N -1 3 354.418 1.142 20 30 FDEDHM C[C@H](C#N)C(=O)N[C@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C ZINC001573573783 947125676 /nfs/dbraw/zinc/12/56/76/947125676.db2.gz PMCDZWNLPBHJBU-RISCZKNCSA-N -1 3 354.418 1.142 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1(C)C ZINC001573573785 947125835 /nfs/dbraw/zinc/12/58/35/947125835.db2.gz PMCDZWNLPBHJBU-SMDDNHRTSA-N -1 3 354.418 1.142 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1(C)C ZINC001573573785 947125844 /nfs/dbraw/zinc/12/58/44/947125844.db2.gz PMCDZWNLPBHJBU-SMDDNHRTSA-N -1 3 354.418 1.142 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)CC1(C)C ZINC001573574462 947129846 /nfs/dbraw/zinc/12/98/46/947129846.db2.gz SBJIZZDWPFNBSZ-SMDDNHRTSA-N -1 3 371.420 1.887 20 30 FDEDHM 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1.503 20 30 FDEDHM C=C[C@](C)(CCOC)C(=O)N1CC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573309261 947194223 /nfs/dbraw/zinc/19/42/23/947194223.db2.gz GDYNKQDGTVZCIX-KBXCAEBGSA-N -1 3 371.445 1.503 20 30 FDEDHM C=C[C@](C)(CCOC)C(=O)NC[C@H](C)Nc1nc(C)ccc1-c1nnn[n-]1 ZINC001573309804 947210415 /nfs/dbraw/zinc/21/04/15/947210415.db2.gz ORGAJIBDSRLGEE-SCLBCKFNSA-N -1 3 373.461 1.716 20 30 FDEDHM C=C[C@](C)(CCOC)C(=O)NC[C@H](C)Nc1nc(C)ccc1-c1nn[n-]n1 ZINC001573309804 947210421 /nfs/dbraw/zinc/21/04/21/947210421.db2.gz ORGAJIBDSRLGEE-SCLBCKFNSA-N -1 3 373.461 1.716 20 30 FDEDHM C[C@H](C#N)C(=O)NC[C@@H]1CCCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573583845 947210655 /nfs/dbraw/zinc/21/06/55/947210655.db2.gz PQPKRPDQOGOFKP-NEPJUHHUSA-N -1 3 357.393 1.498 20 30 FDEDHM C[C@H](C#N)C(=O)NC[C@@H]1CCCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573583845 947210661 /nfs/dbraw/zinc/21/06/61/947210661.db2.gz PQPKRPDQOGOFKP-NEPJUHHUSA-N -1 3 357.393 1.498 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1C ZINC001573585103 947246692 /nfs/dbraw/zinc/24/66/92/947246692.db2.gz CMDYGDPJCQQMKV-SBMIAAHKSA-N -1 3 360.809 1.158 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@H]1CCN(c2ncc(-c3nn[n-]n3)cc2Cl)[C@@H]1C ZINC001573585103 947246704 /nfs/dbraw/zinc/24/67/04/947246704.db2.gz CMDYGDPJCQQMKV-SBMIAAHKSA-N -1 3 360.809 1.158 20 30 FDEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573316659 947280407 /nfs/dbraw/zinc/28/04/07/947280407.db2.gz XXFZRAVNUGQTRM-QWHCGFSZSA-N -1 3 371.445 1.518 20 30 FDEDHM C=C[C@@H](CC)CC(=O)N1CCC[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573316659 947280414 /nfs/dbraw/zinc/28/04/14/947280414.db2.gz XXFZRAVNUGQTRM-QWHCGFSZSA-N -1 3 371.445 1.518 20 30 FDEDHM C=C[C@H](CC)CC(=O)NCC[C@H](C)NC(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC001573316635 947281380 /nfs/dbraw/zinc/28/13/80/947281380.db2.gz XNRCUVNNMUANGA-NWDGAFQWSA-N -1 3 359.434 1.422 20 30 FDEDHM 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ULKVHYMWDGJNCJ-CYBMUJFWSA-N -1 3 369.429 1.272 20 30 FDEDHM C=CCCOCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573335606 947482066 /nfs/dbraw/zinc/48/20/66/947482066.db2.gz BDVBSPXRGBSTLP-BETUJISGSA-N -1 3 357.418 1.222 20 30 FDEDHM C=CCCOCC(=O)N[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573335606 947482074 /nfs/dbraw/zinc/48/20/74/947482074.db2.gz BDVBSPXRGBSTLP-BETUJISGSA-N -1 3 357.418 1.222 20 30 FDEDHM C=CCCOCC(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nnn[n-]1 ZINC001573336259 947504080 /nfs/dbraw/zinc/50/40/80/947504080.db2.gz LTDLFPIIMCNRSS-GFCCVEGCSA-N -1 3 362.409 1.539 20 30 FDEDHM C=CCCOCC(=O)N[C@H](C)CN(C)c1cccc(F)c1-c1nn[n-]n1 ZINC001573336259 947504089 /nfs/dbraw/zinc/50/40/89/947504089.db2.gz LTDLFPIIMCNRSS-GFCCVEGCSA-N -1 3 362.409 1.539 20 30 FDEDHM N#CC1(NC(=O)c2c[nH]c(=S)[n-]c2=O)CCN(Cc2ccccc2)CC1 ZINC001196023251 971389422 /nfs/dbraw/zinc/38/94/22/971389422.db2.gz HVRSEFDUEFAKAU-UHFFFAOYSA-N -1 3 369.450 1.759 20 30 FDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)N[C@@H]1CCO[C@H]1C=C ZINC001573341204 947527202 /nfs/dbraw/zinc/52/72/02/947527202.db2.gz JQPWNSBGYBBPMP-CVEARBPZSA-N -1 3 354.414 1.908 20 30 FDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)N[C@@H]1CCO[C@H]1C=C ZINC001573341204 947527212 /nfs/dbraw/zinc/52/72/12/947527212.db2.gz JQPWNSBGYBBPMP-CVEARBPZSA-N -1 3 354.414 1.908 20 30 FDEDHM CC#CCCCC(=O)N1C[C@@H](Nc2ncccc2-c2nnn[n-]2)C[C@@H]1C ZINC001573358339 947661561 /nfs/dbraw/zinc/66/15/61/947661561.db2.gz FBBKRTJVPAXCLH-KBPBESRZSA-N -1 3 353.430 1.857 20 30 FDEDHM CC#CCCCC(=O)N1C[C@@H](Nc2ncccc2-c2nn[n-]n2)C[C@@H]1C ZINC001573358339 947661571 /nfs/dbraw/zinc/66/15/71/947661571.db2.gz FBBKRTJVPAXCLH-KBPBESRZSA-N -1 3 353.430 1.857 20 30 FDEDHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574690715 949007271 /nfs/dbraw/zinc/00/72/71/949007271.db2.gz QEJCPXDNAHBWOP-JTQLQIEISA-N -1 3 351.374 1.082 20 30 FDEDHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1ccc(C#N)[nH]1 ZINC001574690715 949007283 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FDEDHM CCN(CC)S(=O)(=O)CC(=O)C(C#N)=C([O-])C1(c2ccccc2)CC1 ZINC000845844896 949971318 /nfs/dbraw/zinc/97/13/18/949971318.db2.gz KLRNIXMBSHIWCK-OAHLLOKOSA-N -1 3 362.451 1.668 20 30 FDEDHM CC(C)(C)CC[C@@H](CO)NC(=O)[C@@H](C#N)Cc1ccc(-c2nn[n-]n2)cc1 ZINC001573842567 950148795 /nfs/dbraw/zinc/14/87/95/950148795.db2.gz HQKWFHCBUBPVOP-CVEARBPZSA-N -1 3 370.457 1.852 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001570967699 950220894 /nfs/dbraw/zinc/22/08/94/950220894.db2.gz OOMKZTMCGFQJSD-VXGBXAGGSA-N -1 3 354.418 1.460 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCC([C@@H](C)Nc2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001570967699 950220915 /nfs/dbraw/zinc/22/09/15/950220915.db2.gz OOMKZTMCGFQJSD-VXGBXAGGSA-N -1 3 354.418 1.460 20 30 FDEDHM C[C@H]1[C@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)c1ccc(C#N)[nH]1 ZINC001575913133 950478308 /nfs/dbraw/zinc/47/83/08/950478308.db2.gz IURQLBAXESKAJA-GXFFZTMASA-N -1 3 363.385 1.177 20 30 FDEDHM 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DGCPNVUESROWQJ-BZPMIXESSA-N -1 3 369.429 1.269 20 30 FDEDHM CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573575803 947142834 /nfs/dbraw/zinc/14/28/34/947142834.db2.gz BBECAUYHEHNASC-JOYOIKCWSA-N -1 3 362.825 1.627 20 30 FDEDHM CC(C)[C@@H](CNC(=O)[C@@H](C)C#N)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573575803 947142837 /nfs/dbraw/zinc/14/28/37/947142837.db2.gz BBECAUYHEHNASC-JOYOIKCWSA-N -1 3 362.825 1.627 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ncccc2-c2nnn[n-]2)CC1(C)C ZINC001573576316 947151831 /nfs/dbraw/zinc/15/18/31/947151831.db2.gz GXBBKPXMCVUUJT-WCQYABFASA-N -1 3 354.418 1.142 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ncccc2-c2nn[n-]n2)CC1(C)C ZINC001573576316 947151841 /nfs/dbraw/zinc/15/18/41/947151841.db2.gz GXBBKPXMCVUUJT-WCQYABFASA-N -1 3 354.418 1.142 20 30 FDEDHM C[C@@H](C#N)C(=O)NCC1(Nc2ncc(-c3nnn[n-]3)cc2Cl)CCCC1 ZINC001573576562 947153015 /nfs/dbraw/zinc/15/30/15/947153015.db2.gz HNCDKLSKDWPFDW-JTQLQIEISA-N -1 3 374.836 1.916 20 30 FDEDHM C[C@@H](C#N)C(=O)NCC1(Nc2ncc(-c3nn[n-]n3)cc2Cl)CCCC1 ZINC001573576562 947153020 /nfs/dbraw/zinc/15/30/20/947153020.db2.gz HNCDKLSKDWPFDW-JTQLQIEISA-N -1 3 374.836 1.916 20 30 FDEDHM C=CC(C)(C)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)nc2)CCOCC1 ZINC001573305755 947161089 /nfs/dbraw/zinc/16/10/89/947161089.db2.gz UZYLJYDIVHICCG-UHFFFAOYSA-N -1 3 371.445 1.551 20 30 FDEDHM C=CC(C)(C)C(=O)NCC1(Nc2ccc(-c3nn[n-]n3)nc2)CCOCC1 ZINC001573305755 947161093 /nfs/dbraw/zinc/16/10/93/947161093.db2.gz UZYLJYDIVHICCG-UHFFFAOYSA-N -1 3 371.445 1.551 20 30 FDEDHM C[C@@H](C#N)C(=O)NCC1(C)CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573577787 947173921 /nfs/dbraw/zinc/17/39/21/947173921.db2.gz SPKBRFLSUHELJP-LBPRGKRZSA-N -1 3 354.418 1.144 20 30 FDEDHM C[C@@H](C#N)C(=O)NCC1(C)CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573577787 947173929 /nfs/dbraw/zinc/17/39/29/947173929.db2.gz SPKBRFLSUHELJP-LBPRGKRZSA-N -1 3 354.418 1.144 20 30 FDEDHM C[C@@H](C#N)C(=O)NCC1(Nc2ccc(-c3nnn[n-]3)cn2)CCCCC1 ZINC001573578067 947180200 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C=CCC(C)(C)C(=O)NCCCN(CC)C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573319369 947328074 /nfs/dbraw/zinc/32/80/74/947328074.db2.gz MSNKWZBBLBZVQR-UHFFFAOYSA-N -1 3 373.461 1.766 20 30 FDEDHM C=CCC(C)(C)C(=O)NCCCN(CC)C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573319369 947328089 /nfs/dbraw/zinc/32/80/89/947328089.db2.gz MSNKWZBBLBZVQR-UHFFFAOYSA-N -1 3 373.461 1.766 20 30 FDEDHM C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nnn[n-]3)c2)C1 ZINC001573319941 947338619 /nfs/dbraw/zinc/33/86/19/947338619.db2.gz WYMGGGXGIPVUEZ-FPQZTECRSA-N -1 3 357.418 1.030 20 30 FDEDHM C=C[C@@H](C)[C@@H](C)C(=O)N[C@H]1C[C@H](NC(=O)c2c[nH]c(-c3nn[n-]n3)c2)C1 ZINC001573319941 947338630 /nfs/dbraw/zinc/33/86/30/947338630.db2.gz WYMGGGXGIPVUEZ-FPQZTECRSA-N -1 3 357.418 1.030 20 30 FDEDHM C=CCC(C)(C)C(=O)N[C@@H](C)[C@H](C)NC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573320438 947347786 /nfs/dbraw/zinc/34/77/86/947347786.db2.gz XWOQCQZJDIEMAK-QWRGUYRKSA-N -1 3 359.434 1.420 20 30 FDEDHM 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C=CCCn1cc(C(=O)N(C)c2ccc(-c3nn[n-]n3)c(Cl)c2)nn1 ZINC001573342271 947537988 /nfs/dbraw/zinc/53/79/88/947537988.db2.gz WCZYCFYGBKPCKO-UHFFFAOYSA-N -1 3 358.793 1.964 20 30 FDEDHM C=CCOCC(=O)N1CCC[C@@H](Nc2ncc(-c3nnn[n-]3)cc2F)C1 ZINC001573344182 947569745 /nfs/dbraw/zinc/56/97/45/947569745.db2.gz YDMRTFUHFKYFLN-GFCCVEGCSA-N -1 3 361.381 1.006 20 30 FDEDHM C=CCOCC(=O)N1CCC[C@@H](Nc2ncc(-c3nn[n-]n3)cc2F)C1 ZINC001573344182 947569755 /nfs/dbraw/zinc/56/97/55/947569755.db2.gz YDMRTFUHFKYFLN-GFCCVEGCSA-N -1 3 361.381 1.006 20 30 FDEDHM C=CCOCCCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nnn[n-]2)C1 ZINC001573347319 947571195 /nfs/dbraw/zinc/57/11/95/947571195.db2.gz BUMUQCRHEVZZTN-ZDUSSCGKSA-N -1 3 374.420 1.684 20 30 FDEDHM C=CCOCCCC(=O)N[C@H]1CCN(c2cccc(F)c2-c2nn[n-]n2)C1 ZINC001573347319 947571200 /nfs/dbraw/zinc/57/12/00/947571200.db2.gz BUMUQCRHEVZZTN-ZDUSSCGKSA-N -1 3 374.420 1.684 20 30 FDEDHM CC#CCCCC(=O)N1CC[C@H](Nc2ncccc2-c2nnn[n-]2)[C@@H]1C ZINC001573358123 947657428 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FDEDHM N#CCOc1c(I)cc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000826381922 607863283 /nfs/dbraw/zinc/86/32/83/607863283.db2.gz GGIAEIVACPPNLY-UHFFFAOYSA-N -1 3 372.082 1.282 20 30 FDEDHM C(=[NH+][N-]c1ccc(-c2nn[n-]n2)cc1)c1cnc(N2CCOCC2)s1 ZINC000823861425 607885735 /nfs/dbraw/zinc/88/57/35/607885735.db2.gz HXJHILZVZPHKOA-UHFFFAOYSA-N -1 3 356.415 1.606 20 30 FDEDHM C=C(C)[C@@H](CC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nnn[n-]2)c1)OCC ZINC000823872867 607919156 /nfs/dbraw/zinc/91/91/56/607919156.db2.gz FHRYLQZTYYLFSC-GDBMZVCRSA-N -1 3 374.397 1.995 20 30 FDEDHM C=C(C)[C@@H](CC(=O)O[C@@H](C(=O)OC)c1cccc(-c2nn[n-]n2)c1)OCC ZINC000823872867 607919157 /nfs/dbraw/zinc/91/91/57/607919157.db2.gz FHRYLQZTYYLFSC-GDBMZVCRSA-N -1 3 374.397 1.995 20 30 FDEDHM N#Cc1cc(F)ccc1S(=O)(=O)N1CCc2ccc(-c3nnn[n-]3)cc21 ZINC000826383982 607933695 /nfs/dbraw/zinc/93/36/95/607933695.db2.gz ANQUYBYUVVTAAW-UHFFFAOYSA-N -1 3 370.369 1.629 20 30 FDEDHM N#Cc1cc(F)ccc1S(=O)(=O)N1CCc2ccc(-c3nn[n-]n3)cc21 ZINC000826383982 607933696 /nfs/dbraw/zinc/93/36/96/607933696.db2.gz ANQUYBYUVVTAAW-UHFFFAOYSA-N -1 3 370.369 1.629 20 30 FDEDHM N#CCc1ccc(C(=O)N2CCN(c3ncccc3-c3nnn[n-]3)CC2)cc1 ZINC000826382179 607965962 /nfs/dbraw/zinc/96/59/62/607965962.db2.gz RMXQXNNIOYFVNF-UHFFFAOYSA-N -1 3 374.408 1.290 20 30 FDEDHM N#CCc1ccc(C(=O)N2CCN(c3ncccc3-c3nn[n-]n3)CC2)cc1 ZINC000826382179 607965963 /nfs/dbraw/zinc/96/59/63/607965963.db2.gz RMXQXNNIOYFVNF-UHFFFAOYSA-N -1 3 374.408 1.290 20 30 FDEDHM N#Cc1ccccc1OS(=O)(=O)Cc1cc(-c2nnn[n-]2)ccc1F ZINC000826387479 608001836 /nfs/dbraw/zinc/00/18/36/608001836.db2.gz XBCSQHMXNFDHBG-UHFFFAOYSA-N -1 3 359.342 1.786 20 30 FDEDHM N#Cc1ccccc1OS(=O)(=O)Cc1cc(-c2nn[n-]n2)ccc1F ZINC000826387479 608001837 /nfs/dbraw/zinc/00/18/37/608001837.db2.gz XBCSQHMXNFDHBG-UHFFFAOYSA-N -1 3 359.342 1.786 20 30 FDEDHM N#CCOc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC000826381975 608028327 /nfs/dbraw/zinc/02/83/27/608028327.db2.gz IGYGEEJKKDXZGO-UHFFFAOYSA-N -1 3 359.349 1.822 20 30 FDEDHM N#CCOc1cccc(CC(=O)Nc2ccc(-c3nn[n-]n3)c(C#N)c2)c1 ZINC000826381975 608028328 /nfs/dbraw/zinc/02/83/28/608028328.db2.gz IGYGEEJKKDXZGO-UHFFFAOYSA-N -1 3 359.349 1.822 20 30 FDEDHM C[C@H](C(=O)N(C)CCC#N)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824039758 608066884 /nfs/dbraw/zinc/06/68/84/608066884.db2.gz HDFLBRWENRAOOV-CJNGLKHVSA-N -1 3 369.429 1.001 20 30 FDEDHM C[C@H](C(=O)N(C)CCC#N)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000824039758 608066885 /nfs/dbraw/zinc/06/68/85/608066885.db2.gz HDFLBRWENRAOOV-CJNGLKHVSA-N -1 3 369.429 1.001 20 30 FDEDHM C=CCN(C(=O)Nc1ccc(-c2nnn[n-]2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823903780 608077742 /nfs/dbraw/zinc/07/77/42/608077742.db2.gz KORYKIORYLYDIG-ZDUSSCGKSA-N -1 3 362.415 1.074 20 30 FDEDHM C=CCN(C(=O)Nc1ccc(-c2nn[n-]n2)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000823903780 608077743 /nfs/dbraw/zinc/07/77/43/608077743.db2.gz KORYKIORYLYDIG-ZDUSSCGKSA-N -1 3 362.415 1.074 20 30 FDEDHM COc1cc(-c2nnn[n-]2)ccc1OCCCC(=O)NC1=NO[C@H](C)C1 ZINC000826175732 608108944 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C[C@H](OC(=O)C#Cc1ccccc1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000824706985 608316238 /nfs/dbraw/zinc/31/62/38/608316238.db2.gz NDEAAMAJQNJJHO-ZDUSSCGKSA-N -1 3 361.361 1.789 20 30 FDEDHM C[C@H](OC(=O)C#Cc1ccccc1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000824706985 608316240 /nfs/dbraw/zinc/31/62/40/608316240.db2.gz NDEAAMAJQNJJHO-ZDUSSCGKSA-N -1 3 361.361 1.789 20 30 FDEDHM C=C(CC)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000823877862 608319692 /nfs/dbraw/zinc/31/96/92/608319692.db2.gz JANUKERGCMOISV-LLVKDONJSA-N -1 3 365.415 1.043 20 30 FDEDHM C=C(CC)COC(=O)[C@@H](C)NS(=O)(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000823877862 608319694 /nfs/dbraw/zinc/31/96/94/608319694.db2.gz JANUKERGCMOISV-LLVKDONJSA-N -1 3 365.415 1.043 20 30 FDEDHM C=CC[C@H](CO)CNC(=S)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000823888467 608385159 /nfs/dbraw/zinc/38/51/59/608385159.db2.gz NGCVRHIIGVBFCE-VIFPVBQESA-N -1 3 352.851 1.991 20 30 FDEDHM C=CC[C@H](CO)CNC(=S)Nc1ccc(-c2nn[n-]n2)c(Cl)c1 ZINC000823888467 608385161 /nfs/dbraw/zinc/38/51/61/608385161.db2.gz NGCVRHIIGVBFCE-VIFPVBQESA-N -1 3 352.851 1.991 20 30 FDEDHM N#CCCN(Cc1cnc2ccc(-c3nnn[n-]3)cn12)Cc1cccnc1 ZINC000826382219 608498954 /nfs/dbraw/zinc/49/89/54/608498954.db2.gz UGVBAFPAUHZKBG-UHFFFAOYSA-N -1 3 359.397 1.825 20 30 FDEDHM N#CCCN(Cc1cnc2ccc(-c3nn[n-]n3)cn12)Cc1cccnc1 ZINC000826382219 608498956 /nfs/dbraw/zinc/49/89/56/608498956.db2.gz UGVBAFPAUHZKBG-UHFFFAOYSA-N -1 3 359.397 1.825 20 30 FDEDHM N#Cc1ccnc(N2CCN(Cc3cc(-c4nnn[n-]4)cs3)CC2)c1 ZINC000826387912 608513410 /nfs/dbraw/zinc/51/34/10/608513410.db2.gz YLZNNLXNJRBVIL-UHFFFAOYSA-N -1 3 352.427 1.517 20 30 FDEDHM N#Cc1ccnc(N2CCN(Cc3cc(-c4nn[n-]n4)cs3)CC2)c1 ZINC000826387912 608513411 /nfs/dbraw/zinc/51/34/11/608513411.db2.gz YLZNNLXNJRBVIL-UHFFFAOYSA-N -1 3 352.427 1.517 20 30 FDEDHM N#Cc1csc(CN2CCN(c3cc(-c4nnn[n-]4)ccn3)CC2)c1 ZINC000826387770 608513561 /nfs/dbraw/zinc/51/35/61/608513561.db2.gz QAZMDOSVKVIACR-UHFFFAOYSA-N -1 3 352.427 1.517 20 30 FDEDHM N#Cc1csc(CN2CCN(c3cc(-c4nn[n-]n4)ccn3)CC2)c1 ZINC000826387770 608513562 /nfs/dbraw/zinc/51/35/62/608513562.db2.gz QAZMDOSVKVIACR-UHFFFAOYSA-N -1 3 352.427 1.517 20 30 FDEDHM Clc1cc(-c2nnn[n-]2)cc(N=NCc2cn(-c3ccccc3)nn2)n1 ZINC000826350178 608536788 /nfs/dbraw/zinc/53/67/88/608536788.db2.gz LEPITQRDAHMBRC-UHFFFAOYSA-N -1 3 366.776 1.942 20 30 FDEDHM Clc1cc(-c2nn[n-]n2)cc(N=NCc2cn(-c3ccccc3)nn2)n1 ZINC000826350178 608536789 /nfs/dbraw/zinc/53/67/89/608536789.db2.gz LEPITQRDAHMBRC-UHFFFAOYSA-N -1 3 366.776 1.942 20 30 FDEDHM C=CCCOCC(=O)N[C@H]1CCCN(c2ccc(-c3nnn[n-]3)cc2)C1=O ZINC000823899107 609135087 /nfs/dbraw/zinc/13/50/87/609135087.db2.gz LQPGOFCCHBAIMQ-HNNXBMFYSA-N -1 3 370.413 1.071 20 30 FDEDHM C=CCCOCC(=O)N[C@H]1CCCN(c2ccc(-c3nn[n-]n3)cc2)C1=O ZINC000823899107 609135088 /nfs/dbraw/zinc/13/50/88/609135088.db2.gz LQPGOFCCHBAIMQ-HNNXBMFYSA-N -1 3 370.413 1.071 20 30 FDEDHM CCN(C[C@H](C)C#N)C(=O)c1cc(C)n(-c2cccc(-c3nnn[n-]3)c2)n1 ZINC000825399442 609149874 /nfs/dbraw/zinc/14/98/74/609149874.db2.gz UDDRBTSSNRQBER-GFCCVEGCSA-N -1 3 364.413 1.983 20 30 FDEDHM CCN(C[C@H](C)C#N)C(=O)c1cc(C)n(-c2cccc(-c3nn[n-]n3)c2)n1 ZINC000825399442 609149876 /nfs/dbraw/zinc/14/98/76/609149876.db2.gz UDDRBTSSNRQBER-GFCCVEGCSA-N -1 3 364.413 1.983 20 30 FDEDHM CC(=NNC(=S)NCC(F)(F)F)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000823953489 609159190 /nfs/dbraw/zinc/15/91/90/609159190.db2.gz CKBOPZGCCKQKHG-UHFFFAOYSA-N -1 3 361.328 1.756 20 30 FDEDHM CC(=NNC(=S)NCC(F)(F)F)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000823953489 609159192 /nfs/dbraw/zinc/15/91/92/609159192.db2.gz CKBOPZGCCKQKHG-UHFFFAOYSA-N -1 3 361.328 1.756 20 30 FDEDHM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)nn1-c1cccc(-c2nnn[n-]2)c1 ZINC000826259586 609162313 /nfs/dbraw/zinc/16/23/13/609162313.db2.gz XBICOOMYLXZTDG-HIFRSBDPSA-N -1 3 362.397 1.783 20 30 FDEDHM Cc1cc(C(=O)N[C@H]2CCC[C@@H]2C#N)nn1-c1cccc(-c2nn[n-]n2)c1 ZINC000826259586 609162315 /nfs/dbraw/zinc/16/23/15/609162315.db2.gz XBICOOMYLXZTDG-HIFRSBDPSA-N -1 3 362.397 1.783 20 30 FDEDHM COC(=O)[C@@H](OC(=O)c1ccc(C#N)[nH]1)c1ccc(-c2nn[n-]n2)cc1 ZINC000826116821 609163281 /nfs/dbraw/zinc/16/32/81/609163281.db2.gz DZZVCPNTADKCFN-ZDUSSCGKSA-N -1 3 352.310 1.138 20 30 FDEDHM N#Cc1ccc(CN(C(=O)[C@@H](O)c2ccc(-c3nnn[n-]3)cc2)C2CC2)cc1 ZINC000826385116 609193528 /nfs/dbraw/zinc/19/35/28/609193528.db2.gz XVOMDDPJSLRCMR-SFHVURJKSA-N -1 3 374.404 1.963 20 30 FDEDHM N#Cc1ccc(CN(C(=O)[C@@H](O)c2ccc(-c3nn[n-]n3)cc2)C2CC2)cc1 ZINC000826385116 609193530 /nfs/dbraw/zinc/19/35/30/609193530.db2.gz XVOMDDPJSLRCMR-SFHVURJKSA-N -1 3 374.404 1.963 20 30 FDEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c(-c2nnn[n-]2)c1 ZINC000823919926 609203373 /nfs/dbraw/zinc/20/33/73/609203373.db2.gz SFCZGCUCHBSUSJ-UHFFFAOYSA-N -1 3 353.342 1.931 20 30 FDEDHM C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c(-c2nn[n-]n2)c1 ZINC000823919926 609203374 /nfs/dbraw/zinc/20/33/74/609203374.db2.gz SFCZGCUCHBSUSJ-UHFFFAOYSA-N -1 3 353.342 1.931 20 30 FDEDHM N#Cc1ccc(CNC(=O)[C@H](O)c2ccc(-c3nnn[n-]3)cc2)c(F)c1 ZINC000826385007 609225940 /nfs/dbraw/zinc/22/59/40/609225940.db2.gz SZGOXXIQCHPODZ-OAHLLOKOSA-N -1 3 352.329 1.227 20 30 FDEDHM N#Cc1ccc(CNC(=O)[C@H](O)c2ccc(-c3nn[n-]n3)cc2)c(F)c1 ZINC000826385007 609225941 /nfs/dbraw/zinc/22/59/41/609225941.db2.gz SZGOXXIQCHPODZ-OAHLLOKOSA-N -1 3 352.329 1.227 20 30 FDEDHM CCOC(=O)c1cnc(N=NCc2ccc(-c3nnn[n-]3)cc2F)nc1C ZINC000825564917 609305337 /nfs/dbraw/zinc/30/53/37/609305337.db2.gz ISKKEFZZQKTNIL-UHFFFAOYSA-N -1 3 370.348 1.727 20 30 FDEDHM CCOC(=O)c1cnc(N=NCc2ccc(-c3nn[n-]n3)cc2F)nc1C ZINC000825564917 609305338 /nfs/dbraw/zinc/30/53/38/609305338.db2.gz ISKKEFZZQKTNIL-UHFFFAOYSA-N -1 3 370.348 1.727 20 30 FDEDHM Cn1cc(CN=Nc2ncc(F)cn2)c(-c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000826360816 609306846 /nfs/dbraw/zinc/30/68/46/609306846.db2.gz ZEOAFUQSDFXRJF-UHFFFAOYSA-N -1 3 364.348 1.642 20 30 FDEDHM Cn1cc(CN=Nc2ncc(F)cn2)c(-c2ccc(-c3nn[n-]n3)cc2)n1 ZINC000826360816 609306848 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/nfs/dbraw/zinc/05/28/46/947052846.db2.gz PSESQFVOWSCAGF-FZKQIMNGSA-N -1 3 366.429 1.240 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCC[C@]2(CCN(c3ccc(-c4nn[n-]n4)cn3)C2)C1 ZINC001573567643 947052858 /nfs/dbraw/zinc/05/28/58/947052858.db2.gz PSESQFVOWSCAGF-FZKQIMNGSA-N -1 3 366.429 1.240 20 30 FDEDHM C=C1CC(C)(C(=O)N2C[C@H](Nc3ccc(-c4nnn[n-]4)cn3)[C@@H](C)C2)C1 ZINC001573296867 947054831 /nfs/dbraw/zinc/05/48/31/947054831.db2.gz ABKTYUXOXRGNOI-JSGCOSHPSA-N -1 3 353.430 1.877 20 30 FDEDHM C=C1CC(C)(C(=O)N2C[C@H](Nc3ccc(-c4nn[n-]n4)cn3)[C@@H](C)C2)C1 ZINC001573296867 947054838 /nfs/dbraw/zinc/05/48/38/947054838.db2.gz ABKTYUXOXRGNOI-JSGCOSHPSA-N -1 3 353.430 1.877 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cccc(F)c1-c1nnn[n-]1 ZINC001573567882 947060081 /nfs/dbraw/zinc/06/00/81/947060081.db2.gz UJZPFWKMSBFDSI-MRVWCRGKSA-N -1 3 369.404 1.735 20 30 FDEDHM C[C@H](C#N)C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cccc(F)c1-c1nn[n-]n1 ZINC001573567882 947060088 /nfs/dbraw/zinc/06/00/88/947060088.db2.gz UJZPFWKMSBFDSI-MRVWCRGKSA-N -1 3 369.404 1.735 20 30 FDEDHM C[C@@H](C#N)C(=O)N1C[C@H]2CCN(Cc3ccc(-c4nnn[n-]4)s3)C[C@H]21 ZINC001573570142 947084477 /nfs/dbraw/zinc/08/44/77/947084477.db2.gz KWCKHLMTDJOQHS-DMDPSCGWSA-N -1 3 357.443 1.121 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cn2)CC(C)(C)C1 ZINC001573573456 947121446 /nfs/dbraw/zinc/12/14/46/947121446.db2.gz NJJNHMLMQSEXQA-GXTWGEPZSA-N -1 3 368.445 1.533 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H]1CCN(c2ccc(-c3nn[n-]n3)cn2)CC(C)(C)C1 ZINC001573573456 947121454 /nfs/dbraw/zinc/12/14/54/947121454.db2.gz NJJNHMLMQSEXQA-GXTWGEPZSA-N -1 3 368.445 1.533 20 30 FDEDHM C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573300823 947121460 /nfs/dbraw/zinc/12/14/60/947121460.db2.gz OTENJSKWLPVUPP-LBPRGKRZSA-N -1 3 371.445 1.470 20 30 FDEDHM C=CC(C)(C)C(=O)N1CCC[C@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573300823 947121467 /nfs/dbraw/zinc/12/14/67/947121467.db2.gz OTENJSKWLPVUPP-LBPRGKRZSA-N -1 3 371.445 1.470 20 30 FDEDHM C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2c2ncccc2-c2nnn[n-]2)C1 ZINC001573300813 947121519 /nfs/dbraw/zinc/12/15/19/947121519.db2.gz OPADBAULZLFABS-HIFRSBDPSA-N -1 3 367.457 1.901 20 30 FDEDHM C=CC(C)(C)C(=O)N1CC[C@H]2[C@H](CCN2c2ncccc2-c2nn[n-]n2)C1 ZINC001573300813 947121526 /nfs/dbraw/zinc/12/15/26/947121526.db2.gz OPADBAULZLFABS-HIFRSBDPSA-N -1 3 367.457 1.901 20 30 FDEDHM C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C)n2)C1 ZINC001573301255 947134975 /nfs/dbraw/zinc/13/49/75/947134975.db2.gz VTNOSIXNMMGTRI-CYBMUJFWSA-N -1 3 355.446 1.819 20 30 FDEDHM C=CC(C)(C)C(=O)N(C)[C@@H]1CCN(c2ccc(-c3nn[n-]n3)c(C)n2)C1 ZINC001573301255 947134980 /nfs/dbraw/zinc/13/49/80/947134980.db2.gz VTNOSIXNMMGTRI-CYBMUJFWSA-N -1 3 355.446 1.819 20 30 FDEDHM C[C@H](C#N)C(=O)NCC1(C)CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573575942 947144914 /nfs/dbraw/zinc/14/49/14/947144914.db2.gz CAPLAMHMBSNBQP-LLVKDONJSA-N -1 3 372.408 1.283 20 30 FDEDHM C[C@H](C#N)C(=O)NCC1(C)CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573575942 947144916 /nfs/dbraw/zinc/14/49/16/947144916.db2.gz CAPLAMHMBSNBQP-LLVKDONJSA-N -1 3 372.408 1.283 20 30 FDEDHM C[C@@H](C#N)C(=O)NC[C@@H](Nc1ccc(-c2nnn[n-]2)cn1)c1ccccc1 ZINC001573578152 947181979 /nfs/dbraw/zinc/18/19/79/947181979.db2.gz ZDLWAYQGIWMBHV-SWLSCSKDSA-N -1 3 362.397 1.691 20 30 FDEDHM C[C@@H](C#N)C(=O)NC[C@@H](Nc1ccc(-c2nn[n-]n2)cn1)c1ccccc1 ZINC001573578152 947181980 /nfs/dbraw/zinc/18/19/80/947181980.db2.gz ZDLWAYQGIWMBHV-SWLSCSKDSA-N -1 3 362.397 1.691 20 30 FDEDHM C[C@H](C#N)C(=O)NCCC1(CNc2ncc(-c3nnn[n-]3)cc2Cl)CC1 ZINC001573582225 947189201 /nfs/dbraw/zinc/18/92/01/947189201.db2.gz CFHNCSJNAYJURW-SNVBAGLBSA-N -1 3 374.836 1.773 20 30 FDEDHM C[C@H](C#N)C(=O)NCCC1(CNc2ncc(-c3nn[n-]n3)cc2Cl)CC1 ZINC001573582225 947189207 /nfs/dbraw/zinc/18/92/07/947189207.db2.gz CFHNCSJNAYJURW-SNVBAGLBSA-N -1 3 374.836 1.773 20 30 FDEDHM C[C@H](C#N)C(=O)NCCC1=CCN(c2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573583168 947201191 /nfs/dbraw/zinc/20/11/91/947201191.db2.gz KLXJMFDIEOBDJZ-LLVKDONJSA-N -1 3 370.392 1.203 20 30 FDEDHM C[C@H](C#N)C(=O)NCCC1=CCN(c2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573583168 947201197 /nfs/dbraw/zinc/20/11/97/947201197.db2.gz KLXJMFDIEOBDJZ-LLVKDONJSA-N -1 3 370.392 1.203 20 30 FDEDHM C[C@H](C#N)C(=O)NC[C@H]1CCCCN1c1ncc(-c2nnn[n-]2)cc1F ZINC001573584276 947215535 /nfs/dbraw/zinc/21/55/35/947215535.db2.gz SJYXSMHINOUEII-ZYHUDNBSSA-N -1 3 358.381 1.036 20 30 FDEDHM C[C@H](C#N)C(=O)NC[C@H]1CCCCN1c1ncc(-c2nn[n-]n2)cc1F ZINC001573584276 947215536 /nfs/dbraw/zinc/21/55/36/947215536.db2.gz SJYXSMHINOUEII-ZYHUDNBSSA-N -1 3 358.381 1.036 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC001573584696 947232046 /nfs/dbraw/zinc/23/20/46/947232046.db2.gz BTYHFXWYSXFUOR-RYUDHWBXSA-N -1 3 354.418 1.142 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@@H](C)C1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC001573584696 947232057 /nfs/dbraw/zinc/23/20/57/947232057.db2.gz BTYHFXWYSXFUOR-RYUDHWBXSA-N -1 3 354.418 1.142 20 30 FDEDHM C[C@@H](C#N)CNC(=O)N1CCC[C@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573585105 947245587 /nfs/dbraw/zinc/24/55/87/947245587.db2.gz CODIEZQGTBESAF-AAEUAGOBSA-N -1 3 355.406 1.007 20 30 FDEDHM C[C@@H](C#N)CNC(=O)N1CCC[C@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573585105 947245598 /nfs/dbraw/zinc/24/55/98/947245598.db2.gz CODIEZQGTBESAF-AAEUAGOBSA-N -1 3 355.406 1.007 20 30 FDEDHM C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573318479 947310636 /nfs/dbraw/zinc/31/06/36/947310636.db2.gz CKIYUVWNRUZWLQ-LBPRGKRZSA-N -1 3 371.445 1.518 20 30 FDEDHM C=CCC(C)(C)C(=O)N1CCC[C@H](NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573318479 947310649 /nfs/dbraw/zinc/31/06/49/947310649.db2.gz CKIYUVWNRUZWLQ-LBPRGKRZSA-N -1 3 371.445 1.518 20 30 FDEDHM C=CCC(CC=C)C(=O)N1CCN(c2ccc(-c3nnn[n-]3)nc2)CC1 ZINC001573318900 947316022 /nfs/dbraw/zinc/31/60/22/947316022.db2.gz GUOYSKCSSZFRCT-UHFFFAOYSA-N -1 3 353.430 1.679 20 30 FDEDHM C=CCC(CC=C)C(=O)N1CCN(c2ccc(-c3nn[n-]n3)nc2)CC1 ZINC001573318900 947316035 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C#CCN(C)c1nnc(COc2ccc(-c3nn[n-]n3)cc2)n1CCCC ZINC001573283581 946719138 /nfs/dbraw/zinc/71/91/38/946719138.db2.gz TYSNXFBNESAJQI-UHFFFAOYSA-N -1 3 366.429 1.907 20 30 FDEDHM C#CCCCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nnn[n-]3)c[nH]2)[C@H]1C ZINC001573283928 946730570 /nfs/dbraw/zinc/73/05/70/946730570.db2.gz ODYTXDWDJBMUIM-JSGCOSHPSA-N -1 3 369.429 1.108 20 30 FDEDHM C#CCCCCC(=O)N[C@H]1CCN(C(=O)c2cc(-c3nn[n-]n3)c[nH]2)[C@H]1C ZINC001573283928 946730583 /nfs/dbraw/zinc/73/05/83/946730583.db2.gz ODYTXDWDJBMUIM-JSGCOSHPSA-N -1 3 369.429 1.108 20 30 FDEDHM C#CCCCC(=O)N1CC[C@](C)(CNc2ncccc2-c2nnn[n-]2)C1 ZINC001573284404 946745767 /nfs/dbraw/zinc/74/57/67/946745767.db2.gz AVIANKPPYFNMGA-GOSISDBHSA-N -1 3 353.430 1.716 20 30 FDEDHM C#CCCCC(=O)N1CC[C@](C)(CNc2ncccc2-c2nn[n-]n2)C1 ZINC001573284404 946745775 /nfs/dbraw/zinc/74/57/75/946745775.db2.gz AVIANKPPYFNMGA-GOSISDBHSA-N -1 3 353.430 1.716 20 30 FDEDHM CC(=O)Nc1cccc(CC(=O)Nc2ccc(-c3nnn[n-]3)c(C#N)c2)c1 ZINC001573546607 946815730 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C[C@H](C#N)C(=O)NC1C[C@H]2CC[C@@H](C1)N2c1ccc(-c2nn[n-]n2)cn1 ZINC001573573007 947116544 /nfs/dbraw/zinc/11/65/44/947116544.db2.gz KXDFOVLKSUVQHN-NDNKKMJESA-N -1 3 352.402 1.037 20 30 FDEDHM C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573300694 947119426 /nfs/dbraw/zinc/11/94/26/947119426.db2.gz MNZKPBZGPWVXDA-LLVKDONJSA-N -1 3 357.418 1.080 20 30 FDEDHM C=CC(C)(C)C(=O)N1CC[C@@H](N(C)C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573300694 947119430 /nfs/dbraw/zinc/11/94/30/947119430.db2.gz MNZKPBZGPWVXDA-LLVKDONJSA-N -1 3 357.418 1.080 20 30 FDEDHM C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573304858 947145997 /nfs/dbraw/zinc/14/59/97/947145997.db2.gz HZDJEIDZPPRAJP-NSHDSACASA-N -1 3 357.418 1.128 20 30 FDEDHM C=CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573304858 947146004 /nfs/dbraw/zinc/14/60/04/947146004.db2.gz HZDJEIDZPPRAJP-NSHDSACASA-N -1 3 357.418 1.128 20 30 FDEDHM 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/nfs/dbraw/zinc/92/04/24/598920424.db2.gz AGBMYNKOIDJYJB-UHFFFAOYSA-N -1 3 367.394 1.558 20 30 FDEDHM C#CCOc1ccccc1CNC(=O)COc1ccccc1-c1nnn[n-]1 ZINC000735387965 598927244 /nfs/dbraw/zinc/92/72/44/598927244.db2.gz MOUORRWXCGERNY-UHFFFAOYSA-N -1 3 363.377 1.574 20 30 FDEDHM C#CCOc1ccccc1CNC(=O)COc1ccccc1-c1nn[n-]n1 ZINC000735387965 598927245 /nfs/dbraw/zinc/92/72/45/598927245.db2.gz MOUORRWXCGERNY-UHFFFAOYSA-N -1 3 363.377 1.574 20 30 FDEDHM CC(CS(=O)(=O)c1ccccc1)N=NCc1ccc(-c2nnn[n-]2)cc1 ZINC000820292813 607253716 /nfs/dbraw/zinc/25/37/16/607253716.db2.gz HMIXKYLYJQEZFC-UHFFFAOYSA-N -1 3 370.438 1.806 20 30 FDEDHM CC(CS(=O)(=O)c1ccccc1)N=NCc1ccc(-c2nn[n-]n2)cc1 ZINC000820292813 607253717 /nfs/dbraw/zinc/25/37/17/607253717.db2.gz HMIXKYLYJQEZFC-UHFFFAOYSA-N -1 3 370.438 1.806 20 30 FDEDHM N#Cc1ccc([C@H](OC(=O)C=Cc2ccccc2-c2nnn[n-]2)C(N)=O)cc1 ZINC000737711149 599118730 /nfs/dbraw/zinc/11/87/30/599118730.db2.gz FFRBVANKHNHXNZ-FVNWOWOISA-N -1 3 374.360 1.521 20 30 FDEDHM N#Cc1ccc([C@H](OC(=O)C=Cc2ccccc2-c2nn[n-]n2)C(N)=O)cc1 ZINC000737711149 599118733 /nfs/dbraw/zinc/11/87/33/599118733.db2.gz FFRBVANKHNHXNZ-FVNWOWOISA-N -1 3 374.360 1.521 20 30 FDEDHM CN(CCCc1[nH]nc(N)c1C#N)c1ccc(-c2nnn[n-]2)cc1[N+](=O)[O-] ZINC000821601456 599141787 /nfs/dbraw/zinc/14/17/87/599141787.db2.gz IFGCAJAATJPLPK-UHFFFAOYSA-N -1 3 368.361 1.021 20 30 FDEDHM CN(CCCc1[nH]nc(N)c1C#N)c1ccc(-c2nn[n-]n2)cc1[N+](=O)[O-] ZINC000821601456 599141789 /nfs/dbraw/zinc/14/17/89/599141789.db2.gz IFGCAJAATJPLPK-UHFFFAOYSA-N -1 3 368.361 1.021 20 30 FDEDHM N#Cc1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1-c1nnn[n-]1 ZINC000737716869 599195544 /nfs/dbraw/zinc/19/55/44/599195544.db2.gz WFSLFYXSZFWSNU-OAHLLOKOSA-N -1 3 360.333 1.979 20 30 FDEDHM N#Cc1ccc(NC(=O)C[C@H]2OC(=O)c3ccccc32)cc1-c1nn[n-]n1 ZINC000737716869 599195546 /nfs/dbraw/zinc/19/55/46/599195546.db2.gz WFSLFYXSZFWSNU-OAHLLOKOSA-N -1 3 360.333 1.979 20 30 FDEDHM CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nnn[n-]2)c1 ZINC000736409854 599197195 /nfs/dbraw/zinc/19/71/95/599197195.db2.gz GCUHAIVIPXZNQN-ZDUSSCGKSA-N -1 3 371.426 1.378 20 30 FDEDHM CCCC(=O)N1CSC[C@H]1C(=O)Nc1ccc(C#N)c(-c2nn[n-]n2)c1 ZINC000736409854 599197198 /nfs/dbraw/zinc/19/71/98/599197198.db2.gz GCUHAIVIPXZNQN-ZDUSSCGKSA-N -1 3 371.426 1.378 20 30 FDEDHM C=CC[C@@H](C)NC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC000735410021 599213803 /nfs/dbraw/zinc/21/38/03/599213803.db2.gz RNOKVQAWXLYDSY-CQSZACIVSA-N -1 3 355.446 1.659 20 30 FDEDHM O=C([O-])[C@H]1CCN(CC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000819151488 597536507 /nfs/dbraw/zinc/53/65/07/597536507.db2.gz HZWYHWIFJWCTBN-ZDUSSCGKSA-N -1 3 354.328 1.580 20 30 FDEDHM CN(CCN1CCN(C(=O)[C@](C)(C#N)CC(=O)[O-])CC1)Cc1ccccc1 ZINC000820597405 597644432 /nfs/dbraw/zinc/64/44/32/597644432.db2.gz PSQAJCAKMZKVCA-FQEVSTJZSA-N -1 3 372.469 1.267 20 30 FDEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCNc1ccc(C#N)cn1 ZINC000737408705 599270196 /nfs/dbraw/zinc/27/01/96/599270196.db2.gz KLZSWHOGKFOTIY-UHFFFAOYSA-N -1 3 371.408 1.936 20 30 FDEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCNc1ccc(C#N)cn1 ZINC000737408705 599270198 /nfs/dbraw/zinc/27/01/98/599270198.db2.gz KLZSWHOGKFOTIY-UHFFFAOYSA-N -1 3 371.408 1.936 20 30 FDEDHM N#Cc1ccc(NC(=O)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c(F)c1 ZINC000822829937 607333709 /nfs/dbraw/zinc/33/37/09/607333709.db2.gz QHJWSXKUIQWLFQ-UHFFFAOYSA-N -1 3 365.328 1.132 20 30 FDEDHM N#Cc1ccc(NC(=O)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c(F)c1 ZINC000822829937 607333710 /nfs/dbraw/zinc/33/37/10/607333710.db2.gz QHJWSXKUIQWLFQ-UHFFFAOYSA-N -1 3 365.328 1.132 20 30 FDEDHM COc1cccc([C@@H](C#N)NC(=O)c2ccc(-c3nnn[n-]3)cc2)c1OC ZINC000737122484 598240141 /nfs/dbraw/zinc/24/01/41/598240141.db2.gz UGWOIQXHMHHNHL-CQSZACIVSA-N -1 3 364.365 1.879 20 30 FDEDHM COc1cccc([C@@H](C#N)NC(=O)c2ccc(-c3nn[n-]n3)cc2)c1OC ZINC000737122484 598240142 /nfs/dbraw/zinc/24/01/42/598240142.db2.gz UGWOIQXHMHHNHL-CQSZACIVSA-N -1 3 364.365 1.879 20 30 FDEDHM Cc1nc(SCC(=O)N2CCO[C@@H](C#N)C2)c(-c2nnn[n-]2)c(C)c1C ZINC000737482646 598363022 /nfs/dbraw/zinc/36/30/22/598363022.db2.gz KENLQASVURGUNJ-LBPRGKRZSA-N -1 3 373.442 1.030 20 30 FDEDHM Cc1nc(SCC(=O)N2CCO[C@@H](C#N)C2)c(-c2nn[n-]n2)c(C)c1C ZINC000737482646 598363025 /nfs/dbraw/zinc/36/30/25/598363025.db2.gz KENLQASVURGUNJ-LBPRGKRZSA-N -1 3 373.442 1.030 20 30 FDEDHM C[C@@H](C#N)CN(C)C(=O)NC1CCN(c2ccc(-c3nnn[n-]3)cn2)CC1 ZINC000735505738 598480840 /nfs/dbraw/zinc/48/08/40/598480840.db2.gz SKIIVTNPVFRUDJ-LBPRGKRZSA-N -1 3 369.433 1.032 20 30 FDEDHM C[C@@H](C#N)CN(C)C(=O)NC1CCN(c2ccc(-c3nn[n-]n3)cn2)CC1 ZINC000735505738 598480842 /nfs/dbraw/zinc/48/08/42/598480842.db2.gz SKIIVTNPVFRUDJ-LBPRGKRZSA-N -1 3 369.433 1.032 20 30 FDEDHM N#Cc1cc(-c2nnn[n-]2)c(SCC(=O)OCc2ccccc2)nc1N ZINC000737704629 598492654 /nfs/dbraw/zinc/49/26/54/598492654.db2.gz KLYDBVKMSJTACU-UHFFFAOYSA-N -1 3 367.394 1.551 20 30 FDEDHM N#Cc1cc(-c2nn[n-]n2)c(SCC(=O)OCc2ccccc2)nc1N ZINC000737704629 598492655 /nfs/dbraw/zinc/49/26/55/598492655.db2.gz KLYDBVKMSJTACU-UHFFFAOYSA-N -1 3 367.394 1.551 20 30 FDEDHM N#Cc1ccc(OS(=O)(=O)Cc2cccc(-c3nnn[n-]3)c2)cc1F ZINC000737722782 598558857 /nfs/dbraw/zinc/55/88/57/598558857.db2.gz YJDFCUWBBYTSSX-UHFFFAOYSA-N -1 3 359.342 1.786 20 30 FDEDHM N#Cc1ccc(OS(=O)(=O)Cc2cccc(-c3nn[n-]n3)c2)cc1F ZINC000737722782 598558859 /nfs/dbraw/zinc/55/88/59/598558859.db2.gz YJDFCUWBBYTSSX-UHFFFAOYSA-N -1 3 359.342 1.786 20 30 FDEDHM N#CC1(C(=O)NCCSCc2ccccc2-c2nnn[n-]2)CCOCC1 ZINC000737674468 598582166 /nfs/dbraw/zinc/58/21/66/598582166.db2.gz JUBMTVXMJNXDSP-UHFFFAOYSA-N -1 3 372.454 1.536 20 30 FDEDHM N#CC1(C(=O)NCCSCc2ccccc2-c2nn[n-]n2)CCOCC1 ZINC000737674468 598582169 /nfs/dbraw/zinc/58/21/69/598582169.db2.gz JUBMTVXMJNXDSP-UHFFFAOYSA-N -1 3 372.454 1.536 20 30 FDEDHM C=CCSCCNC(=O)[C@@H]1CCCN1c1ccc(-c2nn[n-]n2)cc1 ZINC000735436912 598595907 /nfs/dbraw/zinc/59/59/07/598595907.db2.gz UBLLQOGBPBMICO-HNNXBMFYSA-N -1 3 358.471 1.871 20 30 FDEDHM C#CCN(C1CCCCC1)S(=O)(=O)c1ccc(F)c(-c2nnn[n-]2)c1 ZINC000735374075 598692605 /nfs/dbraw/zinc/69/26/05/598692605.db2.gz AXNOOGKNNRAEQA-UHFFFAOYSA-N -1 3 363.418 1.962 20 30 FDEDHM C[C@H]1CCc2c(sc(NC(=O)CCN(C)CC#N)c2-c2nnn[n-]2)C1 ZINC000736282017 598759845 /nfs/dbraw/zinc/75/98/45/598759845.db2.gz ZRHJIHXJXXECJE-JTQLQIEISA-N -1 3 359.459 1.837 20 30 FDEDHM C[C@H]1CCc2c(sc(NC(=O)CCN(C)CC#N)c2-c2nn[n-]n2)C1 ZINC000736282017 598759847 /nfs/dbraw/zinc/75/98/47/598759847.db2.gz ZRHJIHXJXXECJE-JTQLQIEISA-N -1 3 359.459 1.837 20 30 FDEDHM C=CCN(Cc1nc(CCOC)no1)Cc1cccc(-c2nnn[n-]2)c1 ZINC000735426601 598760263 /nfs/dbraw/zinc/76/02/63/598760263.db2.gz SMNAAUWEOFCLHI-UHFFFAOYSA-N -1 3 355.402 1.627 20 30 FDEDHM C=CCN(Cc1nc(CCOC)no1)Cc1cccc(-c2nn[n-]n2)c1 ZINC000735426601 598760264 /nfs/dbraw/zinc/76/02/64/598760264.db2.gz SMNAAUWEOFCLHI-UHFFFAOYSA-N -1 3 355.402 1.627 20 30 FDEDHM C#Cc1ccc(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)nc1 ZINC000735389754 598780373 /nfs/dbraw/zinc/78/03/73/598780373.db2.gz IFNVQXGEMKFGSO-UHFFFAOYSA-N -1 3 354.351 1.100 20 30 FDEDHM C#Cc1ccc(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)nc1 ZINC000735389754 598780375 /nfs/dbraw/zinc/78/03/75/598780375.db2.gz IFNVQXGEMKFGSO-UHFFFAOYSA-N -1 3 354.351 1.100 20 30 FDEDHM C=CCOCC(=O)N(Cc1ccc(-c2nnn[n-]2)cc1)CC(F)(F)F ZINC000735438233 598817302 /nfs/dbraw/zinc/81/73/02/598817302.db2.gz YPQSRKXIYMUZSQ-UHFFFAOYSA-N -1 3 355.320 1.960 20 30 FDEDHM C=CCOCC(=O)N(Cc1ccc(-c2nn[n-]n2)cc1)CC(F)(F)F ZINC000735438233 598817304 /nfs/dbraw/zinc/81/73/04/598817304.db2.gz YPQSRKXIYMUZSQ-UHFFFAOYSA-N -1 3 355.320 1.960 20 30 FDEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1F)c1cccc(C#N)c1 ZINC000820443953 599324426 /nfs/dbraw/zinc/32/44/26/599324426.db2.gz BZBCYYATAKHBQF-JTQLQIEISA-N -1 3 372.385 1.917 20 30 FDEDHM C[C@H](NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1F)c1cccc(C#N)c1 ZINC000820443953 599324429 /nfs/dbraw/zinc/32/44/29/599324429.db2.gz BZBCYYATAKHBQF-JTQLQIEISA-N -1 3 372.385 1.917 20 30 FDEDHM N#Cc1cccc(CNC(=O)NCCOc2ccc(-c3nn[n-]n3)cc2)c1 ZINC000822837206 599415346 /nfs/dbraw/zinc/41/53/46/599415346.db2.gz JKEJDPPKXLPHGM-UHFFFAOYSA-N -1 3 363.381 1.617 20 30 FDEDHM N#Cc1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nnn[n-]3)c2)o1 ZINC000822825643 599461260 /nfs/dbraw/zinc/46/12/60/599461260.db2.gz JVGSGFXMESOWLP-UHFFFAOYSA-N -1 3 365.397 1.905 20 30 FDEDHM N#Cc1ccc(CNc2ccc(N3CCC(O)CC3)c(-c3nn[n-]n3)c2)o1 ZINC000822825643 599461262 /nfs/dbraw/zinc/46/12/62/599461262.db2.gz JVGSGFXMESOWLP-UHFFFAOYSA-N -1 3 365.397 1.905 20 30 FDEDHM CCO[C@@H](C)c1noc(CSc2nc(N)c(-c3nnn[n-]3)cc2C#N)n1 ZINC000736615211 599463297 /nfs/dbraw/zinc/46/32/97/599463297.db2.gz JEEZDAUZLRIATR-ZETCQYMHSA-N -1 3 373.402 1.488 20 30 FDEDHM CCO[C@@H](C)c1noc(CSc2nc(N)c(-c3nn[n-]n3)cc2C#N)n1 ZINC000736615211 599463300 /nfs/dbraw/zinc/46/33/00/599463300.db2.gz JEEZDAUZLRIATR-ZETCQYMHSA-N -1 3 373.402 1.488 20 30 FDEDHM C#CCCCNC(=O)N1CCCN(c2ccccc2-c2nnn[n-]2)CC1 ZINC000819693635 599468182 /nfs/dbraw/zinc/46/81/82/599468182.db2.gz USHHCBJZZZJQHW-UHFFFAOYSA-N -1 3 353.430 1.502 20 30 FDEDHM C#CCCCNC(=O)N1CCCN(c2ccccc2-c2nn[n-]n2)CC1 ZINC000819693635 599468183 /nfs/dbraw/zinc/46/81/83/599468183.db2.gz USHHCBJZZZJQHW-UHFFFAOYSA-N -1 3 353.430 1.502 20 30 FDEDHM C=CCCCN(C)C(=O)c1ccc(-n2ncc(-c3nnn[n-]3)c2N)cc1 ZINC000735413484 599469407 /nfs/dbraw/zinc/46/94/07/599469407.db2.gz VOMNJYYCEWSJQM-UHFFFAOYSA-N -1 3 352.402 1.673 20 30 FDEDHM C=CCCCN(C)C(=O)c1ccc(-n2ncc(-c3nn[n-]n3)c2N)cc1 ZINC000735413484 599469409 /nfs/dbraw/zinc/46/94/09/599469409.db2.gz VOMNJYYCEWSJQM-UHFFFAOYSA-N -1 3 352.402 1.673 20 30 FDEDHM C[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(-c2nnn[n-]2)c1 ZINC000820351667 599480256 /nfs/dbraw/zinc/48/02/56/599480256.db2.gz QPPBHQKJTVVCHQ-MLGOLLRUSA-N -1 3 366.429 1.309 20 30 FDEDHM C[C@@H](NC(=O)N1CCN(C2CC2)[C@H](C#N)C1)c1cccc(-c2nn[n-]n2)c1 ZINC000820351667 599480257 /nfs/dbraw/zinc/48/02/57/599480257.db2.gz QPPBHQKJTVVCHQ-MLGOLLRUSA-N -1 3 366.429 1.309 20 30 FDEDHM Cc1ccc(C#N)cc1S(=O)(=O)NCCCN1CCC(C(=O)[O-])CC1 ZINC000738500848 600517520 /nfs/dbraw/zinc/51/75/20/600517520.db2.gz GIMWUNOJGRBMRW-UHFFFAOYSA-N -1 3 365.455 1.332 20 30 FDEDHM COc1ccc(CCNC(=O)C(C#N)C(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000832300010 601236550 /nfs/dbraw/zinc/23/65/50/601236550.db2.gz SXNFBOFYCUZDAL-YQQAZPJKSA-N -1 3 372.421 1.954 20 30 FDEDHM CN(c1ccc(CN[C@@H](C(=O)[O-])c2cccc(C#N)c2)cc1)S(C)(=O)=O ZINC000830883768 601305167 /nfs/dbraw/zinc/30/51/67/601305167.db2.gz SCZCAYCOEJQCEJ-QGZVFWFLSA-N -1 3 373.434 1.870 20 30 FDEDHM COc1ccc(CNC(=O)NCC#Cc2ccccc2)cc1-c1nnn[n-]1 ZINC000826199294 607558023 /nfs/dbraw/zinc/55/80/23/607558023.db2.gz VBFIXYWTAKBITQ-UHFFFAOYSA-N -1 3 362.393 1.726 20 30 FDEDHM COc1ccc(CNC(=O)NCC#Cc2ccccc2)cc1-c1nn[n-]n1 ZINC000826199294 607558025 /nfs/dbraw/zinc/55/80/25/607558025.db2.gz VBFIXYWTAKBITQ-UHFFFAOYSA-N -1 3 362.393 1.726 20 30 FDEDHM C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1cccc(-c2nnn[n-]2)c1 ZINC000824641587 607655641 /nfs/dbraw/zinc/65/56/41/607655641.db2.gz XDOTWPVTXORLHY-JTQLQIEISA-N -1 3 372.385 1.917 20 30 FDEDHM C[C@H](NS(=O)(=O)c1ccc(F)cc1C#N)c1cccc(-c2nn[n-]n2)c1 ZINC000824641587 607655642 /nfs/dbraw/zinc/65/56/42/607655642.db2.gz XDOTWPVTXORLHY-JTQLQIEISA-N -1 3 372.385 1.917 20 30 FDEDHM CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@]1(F)CCN(C(=O)[O-])C1 ZINC000828030725 603978520 /nfs/dbraw/zinc/97/85/20/603978520.db2.gz JVXXOUXZMRNXLW-SFHVURJKSA-N -1 3 362.405 1.540 20 30 FDEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3nnn[n-]3)cc2C)c1 ZINC000823861289 607666086 /nfs/dbraw/zinc/66/60/86/607666086.db2.gz CNGUIPLMCDUGGT-UHFFFAOYSA-N -1 3 374.404 1.867 20 30 FDEDHM C#Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3nn[n-]n3)cc2C)c1 ZINC000823861289 607666088 /nfs/dbraw/zinc/66/60/88/607666088.db2.gz CNGUIPLMCDUGGT-UHFFFAOYSA-N -1 3 374.404 1.867 20 30 FDEDHM Cc1ccc(-c2nnn[n-]2)cc1OS(=O)(=O)c1ccc(F)cc1C#N ZINC000826279153 607670577 /nfs/dbraw/zinc/67/05/77/607670577.db2.gz HNHWSGFJCCOACB-UHFFFAOYSA-N -1 3 359.342 1.954 20 30 FDEDHM Cc1ccc(-c2nn[n-]n2)cc1OS(=O)(=O)c1ccc(F)cc1C#N ZINC000826279153 607670579 /nfs/dbraw/zinc/67/05/79/607670579.db2.gz HNHWSGFJCCOACB-UHFFFAOYSA-N -1 3 359.342 1.954 20 30 FDEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nnn[n-]3)[nH]2)cc1C#N ZINC000825545101 607761153 /nfs/dbraw/zinc/76/11/53/607761153.db2.gz MFCDLPAESQQTRP-UHFFFAOYSA-N -1 3 366.341 1.887 20 30 FDEDHM CCOC(=O)Nc1ccc(NC(=O)c2ccc(-c3nn[n-]n3)[nH]2)cc1C#N ZINC000825545101 607761154 /nfs/dbraw/zinc/76/11/54/607761154.db2.gz MFCDLPAESQQTRP-UHFFFAOYSA-N -1 3 366.341 1.887 20 30 FDEDHM C=CCc1cc(CN2CC[C@H](C(=O)OC)C[C@H]2C(=O)[O-])cc(OC)c1O ZINC000833379861 605730010 /nfs/dbraw/zinc/73/00/10/605730010.db2.gz OCRCWUQNVPAAIP-GJZGRUSLSA-N -1 3 363.410 1.968 20 30 FDEDHM COC(=O)[C@H](OC(=O)c1ccc(C#N)s1)c1ccc(-c2nnn[n-]2)cc1 ZINC000821648665 606136388 /nfs/dbraw/zinc/13/63/88/606136388.db2.gz PEMRMXWTINKECE-CYBMUJFWSA-N -1 3 369.362 1.871 20 30 FDEDHM COC(=O)[C@H](OC(=O)c1ccc(C#N)s1)c1ccc(-c2nn[n-]n2)cc1 ZINC000821648665 606136389 /nfs/dbraw/zinc/13/63/89/606136389.db2.gz PEMRMXWTINKECE-CYBMUJFWSA-N -1 3 369.362 1.871 20 30 FDEDHM COc1ccc(CNC(=S)NN=Cc2cc(-c3nnn[n-]3)cs2)cc1 ZINC000821798945 606203432 /nfs/dbraw/zinc/20/34/32/606203432.db2.gz VAGSKQZMNXMMOA-UHFFFAOYSA-N -1 3 373.467 1.935 20 30 FDEDHM COc1ccc(CNC(=S)NN=Cc2cc(-c3nn[n-]n3)cs2)cc1 ZINC000821798945 606203435 /nfs/dbraw/zinc/20/34/35/606203435.db2.gz VAGSKQZMNXMMOA-UHFFFAOYSA-N -1 3 373.467 1.935 20 30 FDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1cncn1CC ZINC000819745650 606233866 /nfs/dbraw/zinc/23/38/66/606233866.db2.gz NTFNRZVLCZODNU-UHFFFAOYSA-N -1 3 373.442 1.460 20 30 FDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1cncn1CC ZINC000819745650 606233868 /nfs/dbraw/zinc/23/38/68/606233868.db2.gz NTFNRZVLCZODNU-UHFFFAOYSA-N -1 3 373.442 1.460 20 30 FDEDHM Cn1cc(-c2nnn[n-]2)cc1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000822645937 606245539 /nfs/dbraw/zinc/24/55/39/606245539.db2.gz XSIONCDQLPQOJB-UHFFFAOYSA-N -1 3 359.296 1.931 20 30 FDEDHM Cn1cc(-c2nn[n-]n2)cc1C(=O)Nc1cc(C#N)ccc1OC(F)F ZINC000822645937 606245541 /nfs/dbraw/zinc/24/55/41/606245541.db2.gz XSIONCDQLPQOJB-UHFFFAOYSA-N -1 3 359.296 1.931 20 30 FDEDHM N#C[C@@H](NC(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc(Br)cc1 ZINC000822801440 606313545 /nfs/dbraw/zinc/31/35/45/606313545.db2.gz JLVIPGHZFQSJKS-GFCCVEGCSA-N -1 3 372.186 1.952 20 30 FDEDHM N#C[C@@H](NC(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc(Br)cc1 ZINC000822801440 606313548 /nfs/dbraw/zinc/31/35/48/606313548.db2.gz JLVIPGHZFQSJKS-GFCCVEGCSA-N -1 3 372.186 1.952 20 30 FDEDHM N#CCCN(C(=O)c1cc(-c2nnn[n-]2)c[nH]1)c1ccc2c(c1)OCCO2 ZINC000822805972 606320740 /nfs/dbraw/zinc/32/07/40/606320740.db2.gz HLBLTSQDLSUQRJ-UHFFFAOYSA-N -1 3 365.353 1.526 20 30 FDEDHM N#CCCN(C(=O)c1cc(-c2nn[n-]n2)c[nH]1)c1ccc2c(c1)OCCO2 ZINC000822805972 606320741 /nfs/dbraw/zinc/32/07/41/606320741.db2.gz HLBLTSQDLSUQRJ-UHFFFAOYSA-N -1 3 365.353 1.526 20 30 FDEDHM CCN(CC#N)S(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000821164707 606341363 /nfs/dbraw/zinc/34/13/63/606341363.db2.gz JJJGZPPVFNPEDQ-UHFFFAOYSA-N -1 3 360.321 1.420 20 30 FDEDHM CCN(CC#N)S(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000821164707 606341364 /nfs/dbraw/zinc/34/13/64/606341364.db2.gz JJJGZPPVFNPEDQ-UHFFFAOYSA-N -1 3 360.321 1.420 20 30 FDEDHM C#CCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819693413 606341947 /nfs/dbraw/zinc/34/19/47/606341947.db2.gz RNRGLVPGKVVHEL-UHFFFAOYSA-N -1 3 359.333 1.577 20 30 FDEDHM C#CCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819693413 606341949 /nfs/dbraw/zinc/34/19/49/606341949.db2.gz RNRGLVPGKVVHEL-UHFFFAOYSA-N -1 3 359.333 1.577 20 30 FDEDHM C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820506981 606388599 /nfs/dbraw/zinc/38/85/99/606388599.db2.gz FEDFYPOZLLQPDE-SNVBAGLBSA-N -1 3 365.353 1.261 20 30 FDEDHM C[C@@H](OC(=O)c1cc(C#N)cn1C)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820506981 606388601 /nfs/dbraw/zinc/38/86/01/606388601.db2.gz FEDFYPOZLLQPDE-SNVBAGLBSA-N -1 3 365.353 1.261 20 30 FDEDHM COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3nnn[n-]3)cn2C)cc1 ZINC000821831709 606407500 /nfs/dbraw/zinc/40/75/00/606407500.db2.gz KBYYEBWRSMNALO-ZDUSSCGKSA-N -1 3 365.353 1.175 20 30 FDEDHM COc1ccc(NC(=O)[C@@H](C#N)C(=O)c2cc(-c3nn[n-]n3)cn2C)cc1 ZINC000821831709 606407502 /nfs/dbraw/zinc/40/75/02/606407502.db2.gz KBYYEBWRSMNALO-ZDUSSCGKSA-N -1 3 365.353 1.175 20 30 FDEDHM Cc1cccc2c1ncc(-c1nnn[n-]1)c2NCCNc1ncccc1C#N ZINC000822335332 606460706 /nfs/dbraw/zinc/46/07/06/606460706.db2.gz JXLSUSTWRCGQNY-UHFFFAOYSA-N -1 3 371.408 1.936 20 30 FDEDHM Cc1cccc2c1ncc(-c1nn[n-]n1)c2NCCNc1ncccc1C#N ZINC000822335332 606460707 /nfs/dbraw/zinc/46/07/07/606460707.db2.gz JXLSUSTWRCGQNY-UHFFFAOYSA-N -1 3 371.408 1.936 20 30 FDEDHM Cc1cccc2c1ncc(C#N)c2NCCNc1ncccc1-c1nnn[n-]1 ZINC000822334719 606460916 /nfs/dbraw/zinc/46/09/16/606460916.db2.gz DZHYPNZMINLKIG-UHFFFAOYSA-N -1 3 371.408 1.936 20 30 FDEDHM Cc1cccc2c1ncc(C#N)c2NCCNc1ncccc1-c1nn[n-]n1 ZINC000822334719 606460918 /nfs/dbraw/zinc/46/09/18/606460918.db2.gz DZHYPNZMINLKIG-UHFFFAOYSA-N -1 3 371.408 1.936 20 30 FDEDHM C[C@@H](OC(=O)c1cc(C#N)cs1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000820507366 606561879 /nfs/dbraw/zinc/56/18/79/606561879.db2.gz GYKMQKHJJTZMCM-SECBINFHSA-N -1 3 368.378 1.984 20 30 FDEDHM C[C@@H](OC(=O)c1cc(C#N)cs1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000820507366 606561881 /nfs/dbraw/zinc/56/18/81/606561881.db2.gz GYKMQKHJJTZMCM-SECBINFHSA-N -1 3 368.378 1.984 20 30 FDEDHM N#Cc1csc(C(=O)OCC(=O)Nc2sccc2-c2nnn[n-]2)c1 ZINC000822846229 606564838 /nfs/dbraw/zinc/56/48/38/606564838.db2.gz QNGMBNPQCRSYGU-UHFFFAOYSA-N -1 3 360.380 1.657 20 30 FDEDHM N#Cc1csc(C(=O)OCC(=O)Nc2sccc2-c2nn[n-]n2)c1 ZINC000822846229 606564839 /nfs/dbraw/zinc/56/48/39/606564839.db2.gz QNGMBNPQCRSYGU-UHFFFAOYSA-N -1 3 360.380 1.657 20 30 FDEDHM Cc1oc(NC(=O)COC(=O)c2cc(-c3nnn[n-]3)cs2)c(C#N)c1C ZINC000822549386 606569684 /nfs/dbraw/zinc/56/96/84/606569684.db2.gz YDYQORUKNPATRW-UHFFFAOYSA-N -1 3 372.366 1.805 20 30 FDEDHM Cc1oc(NC(=O)COC(=O)c2cc(-c3nn[n-]n3)cs2)c(C#N)c1C ZINC000822549386 606569685 /nfs/dbraw/zinc/56/96/85/606569685.db2.gz YDYQORUKNPATRW-UHFFFAOYSA-N -1 3 372.366 1.805 20 30 FDEDHM C[C@@H](OC(=O)c1cc(-c2nnn[n-]2)cs1)C(=O)Nc1cccc(C#N)c1 ZINC000820508762 606569947 /nfs/dbraw/zinc/56/99/47/606569947.db2.gz XECPEXTYYCJOCI-SECBINFHSA-N -1 3 368.378 1.984 20 30 FDEDHM C[C@@H](OC(=O)c1cc(-c2nn[n-]n2)cs1)C(=O)Nc1cccc(C#N)c1 ZINC000820508762 606569949 /nfs/dbraw/zinc/56/99/49/606569949.db2.gz XECPEXTYYCJOCI-SECBINFHSA-N -1 3 368.378 1.984 20 30 FDEDHM C[C@@H](OC(=O)c1cc(C#N)cs1)C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000820508742 606570205 /nfs/dbraw/zinc/57/02/05/606570205.db2.gz WQHVGWDAXHYDDC-SECBINFHSA-N -1 3 368.378 1.984 20 30 FDEDHM C[C@@H](OC(=O)c1cc(C#N)cs1)C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000820508742 606570206 /nfs/dbraw/zinc/57/02/06/606570206.db2.gz WQHVGWDAXHYDDC-SECBINFHSA-N -1 3 368.378 1.984 20 30 FDEDHM N#Cc1cc(F)c(C(=O)NCCNc2ncccc2-c2nnn[n-]2)c(F)c1 ZINC000822819708 606674091 /nfs/dbraw/zinc/67/40/91/606674091.db2.gz ZGYWVSOQWLYDNJ-UHFFFAOYSA-N -1 3 370.323 1.253 20 30 FDEDHM N#Cc1cc(F)c(C(=O)NCCNc2ncccc2-c2nn[n-]n2)c(F)c1 ZINC000822819708 606674092 /nfs/dbraw/zinc/67/40/92/606674092.db2.gz ZGYWVSOQWLYDNJ-UHFFFAOYSA-N -1 3 370.323 1.253 20 30 FDEDHM c1sc(CN=Nc2nccc(N3CCOCC3)n2)cc1-c1nnn[n-]1 ZINC000819718270 606819772 /nfs/dbraw/zinc/81/97/72/606819772.db2.gz CWZXVLZXDWIZKM-UHFFFAOYSA-N -1 3 357.403 1.001 20 30 FDEDHM c1sc(CN=Nc2nccc(N3CCOCC3)n2)cc1-c1nn[n-]n1 ZINC000819718270 606819774 /nfs/dbraw/zinc/81/97/74/606819774.db2.gz CWZXVLZXDWIZKM-UHFFFAOYSA-N -1 3 357.403 1.001 20 30 FDEDHM C#CCCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)c(C(F)(F)F)c1 ZINC000819692961 606934722 /nfs/dbraw/zinc/93/47/22/606934722.db2.gz LGPOUKJMYFQSND-UHFFFAOYSA-N -1 3 373.360 1.967 20 30 FDEDHM C#CCCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)c(C(F)(F)F)c1 ZINC000819692961 606934723 /nfs/dbraw/zinc/93/47/23/606934723.db2.gz LGPOUKJMYFQSND-UHFFFAOYSA-N -1 3 373.360 1.967 20 30 FDEDHM C=C[C@H](CC(=O)OCCn1ncc(-c2nnn[n-]2)c1N)c1ccccc1 ZINC000823883603 607990965 /nfs/dbraw/zinc/99/09/65/607990965.db2.gz VKQLSWBDQVOYRK-GFCCVEGCSA-N -1 3 353.386 1.549 20 30 FDEDHM C=C[C@H](CC(=O)OCCn1ncc(-c2nn[n-]n2)c1N)c1ccccc1 ZINC000823883603 607990966 /nfs/dbraw/zinc/99/09/66/607990966.db2.gz VKQLSWBDQVOYRK-GFCCVEGCSA-N -1 3 353.386 1.549 20 30 FDEDHM N#Cc1ccc(NC(=O)Cn2cnc(-c3ccccc3)n2)cc1-c1nnn[n-]1 ZINC000826385558 608064888 /nfs/dbraw/zinc/06/48/88/608064888.db2.gz RACCEVPTCHPKPS-UHFFFAOYSA-N -1 3 371.364 1.636 20 30 FDEDHM N#Cc1ccc(NC(=O)Cn2cnc(-c3ccccc3)n2)cc1-c1nn[n-]n1 ZINC000826385558 608064889 /nfs/dbraw/zinc/06/48/89/608064889.db2.gz RACCEVPTCHPKPS-UHFFFAOYSA-N -1 3 371.364 1.636 20 30 FDEDHM O=C(C#Cc1ccccc1)N1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826396784 608090487 /nfs/dbraw/zinc/09/04/87/608090487.db2.gz KUUGVFPWXRPGHD-SFHVURJKSA-N -1 3 359.389 1.818 20 30 FDEDHM O=C(C#Cc1ccccc1)N1CCO[C@H](c2cccc(-c3nn[n-]n3)c2)C1 ZINC000826396784 608090488 /nfs/dbraw/zinc/09/04/88/608090488.db2.gz KUUGVFPWXRPGHD-SFHVURJKSA-N -1 3 359.389 1.818 20 30 FDEDHM COCC#CCOC(=O)c1occc1COc1cccc(-c2nnn[n-]2)c1 ZINC000826147249 608104152 /nfs/dbraw/zinc/10/41/52/608104152.db2.gz QTHKTYRVSWNSGZ-UHFFFAOYSA-N -1 3 368.349 1.845 20 30 FDEDHM COCC#CCOC(=O)c1occc1COc1cccc(-c2nn[n-]n2)c1 ZINC000826147249 608104153 /nfs/dbraw/zinc/10/41/53/608104153.db2.gz QTHKTYRVSWNSGZ-UHFFFAOYSA-N -1 3 368.349 1.845 20 30 FDEDHM C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2cc(-c3nnn[n-]3)ccc2Cl)C1 ZINC000824779985 608144502 /nfs/dbraw/zinc/14/45/02/608144502.db2.gz YYYWEDXKOMXFNG-INIZCTEOSA-N -1 3 373.804 1.611 20 30 FDEDHM C[C@@]1(C#N)CCCN(C(=O)C(=O)Nc2cc(-c3nn[n-]n3)ccc2Cl)C1 ZINC000824779985 608144503 /nfs/dbraw/zinc/14/45/03/608144503.db2.gz YYYWEDXKOMXFNG-INIZCTEOSA-N -1 3 373.804 1.611 20 30 FDEDHM C#Cc1ccc(C(=O)NCc2nc(-c3cccc(-c4nnn[n-]4)c3)c[nH]2)cn1 ZINC000823861904 608188856 /nfs/dbraw/zinc/18/88/56/608188856.db2.gz SPUWDCPNEAXXOZ-UHFFFAOYSA-N -1 3 370.376 1.563 20 30 FDEDHM C#Cc1ccc(C(=O)NCc2nc(-c3cccc(-c4nn[n-]n4)c3)c[nH]2)cn1 ZINC000823861904 608188858 /nfs/dbraw/zinc/18/88/58/608188858.db2.gz SPUWDCPNEAXXOZ-UHFFFAOYSA-N -1 3 370.376 1.563 20 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/nfs/dbraw/zinc/48/85/31/608488531.db2.gz XWQJLAVCWPKXFN-GFCCVEGCSA-N -1 3 365.401 1.724 20 30 FDEDHM Cc1cc(N[C@H](C)C(=O)Nc2ccccc2-c2nn[n-]n2)nn1CCC#N ZINC000826271007 608488532 /nfs/dbraw/zinc/48/85/32/608488532.db2.gz XWQJLAVCWPKXFN-GFCCVEGCSA-N -1 3 365.401 1.724 20 30 FDEDHM N#Cc1csc(CN2CCN(c3ncccc3-c3nnn[n-]3)CC2)c1 ZINC000826387859 608509390 /nfs/dbraw/zinc/50/93/90/608509390.db2.gz VFKYQBIPSIMPMJ-UHFFFAOYSA-N -1 3 352.427 1.517 20 30 FDEDHM N#Cc1csc(CN2CCN(c3ncccc3-c3nn[n-]n3)CC2)c1 ZINC000826387859 608509392 /nfs/dbraw/zinc/50/93/92/608509392.db2.gz VFKYQBIPSIMPMJ-UHFFFAOYSA-N -1 3 352.427 1.517 20 30 FDEDHM C=CCN(Cc1cccc(-c2nnn[n-]2)c1)S(=O)(=O)c1c(C)n[nH]c1C ZINC000823915140 608538960 /nfs/dbraw/zinc/53/89/60/608538960.db2.gz SKGGHFBVLHFOFZ-UHFFFAOYSA-N -1 3 373.442 1.584 20 30 FDEDHM C=CCN(Cc1cccc(-c2nn[n-]n2)c1)S(=O)(=O)c1c(C)n[nH]c1C ZINC000823915140 608538961 /nfs/dbraw/zinc/53/89/61/608538961.db2.gz SKGGHFBVLHFOFZ-UHFFFAOYSA-N -1 3 373.442 1.584 20 30 FDEDHM 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C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573587255 947304393 /nfs/dbraw/zinc/30/43/93/947304393.db2.gz YRQUWHKEAHJHFO-GVXVVHGQSA-N -1 3 372.408 1.647 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](CNc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573587255 947304406 /nfs/dbraw/zinc/30/44/06/947304406.db2.gz YRQUWHKEAHJHFO-GVXVVHGQSA-N -1 3 372.408 1.647 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2F)CC1 ZINC001573587272 947306055 /nfs/dbraw/zinc/30/60/55/947306055.db2.gz YXHKXKVAZOSILX-DLOVCJGASA-N -1 3 358.381 1.400 20 30 FDEDHM C[C@@H](C#N)C(=O)N[C@H]1CC[C@H](Nc2ncc(-c3nn[n-]n3)cc2F)CC1 ZINC001573587272 947306068 /nfs/dbraw/zinc/30/60/68/947306068.db2.gz YXHKXKVAZOSILX-DLOVCJGASA-N -1 3 358.381 1.400 20 30 FDEDHM C=CCCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc(-c3nnn[n-]3)c[nH]2)C1 ZINC001573327886 947400489 /nfs/dbraw/zinc/40/04/89/947400489.db2.gz MVADCSCKVYKLBX-QWHCGFSZSA-N -1 3 357.418 1.318 20 30 FDEDHM C=CCCC(=O)N[C@H]1CCC[C@@H](NC(=O)c2cc(-c3nn[n-]n3)c[nH]2)C1 ZINC001573327886 947400494 /nfs/dbraw/zinc/40/04/94/947400494.db2.gz MVADCSCKVYKLBX-QWHCGFSZSA-N -1 3 357.418 1.318 20 30 FDEDHM C=CCC1(C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nnn[n-]3)[nH]2)CCCC1 ZINC001573328736 947413512 /nfs/dbraw/zinc/41/35/12/947413512.db2.gz BDXMENMAXIWTFY-LBPRGKRZSA-N -1 3 371.445 1.566 20 30 FDEDHM C=CCC1(C(=O)N[C@@H](C)CNC(=O)c2ccc(-c3nn[n-]n3)[nH]2)CCCC1 ZINC001573328736 947413521 /nfs/dbraw/zinc/41/35/21/947413521.db2.gz BDXMENMAXIWTFY-LBPRGKRZSA-N -1 3 371.445 1.566 20 30 FDEDHM C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(-c2nnn[n-]2)[nH]1 ZINC001573329717 947424705 /nfs/dbraw/zinc/42/47/05/947424705.db2.gz NRJQUTNNRNIMKQ-OLZOCXBDSA-N -1 3 371.445 1.518 20 30 FDEDHM C=CCCC(=O)N1CC[C@@H](C)C[C@H]1CNC(=O)c1ccc(-c2nn[n-]n2)[nH]1 ZINC001573329717 947424710 /nfs/dbraw/zinc/42/47/10/947424710.db2.gz NRJQUTNNRNIMKQ-OLZOCXBDSA-N -1 3 371.445 1.518 20 30 FDEDHM C=CCCCC(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nnn[n-]2)c[nH]1 ZINC001573335006 947469532 /nfs/dbraw/zinc/46/95/32/947469532.db2.gz UOHOIOUACYPFNR-CQSZACIVSA-N -1 3 371.445 1.614 20 30 FDEDHM C=CCCCC(=O)N(C)C[C@H]1CCCN1C(=O)c1cc(-c2nn[n-]n2)c[nH]1 ZINC001573335006 947469538 /nfs/dbraw/zinc/46/95/38/947469538.db2.gz UOHOIOUACYPFNR-CQSZACIVSA-N -1 3 371.445 1.614 20 30 FDEDHM C=CCCCC(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nnn[n-]2)C[C@H]1OC ZINC001573335670 947485303 /nfs/dbraw/zinc/48/53/03/947485303.db2.gz SBWZYACIGVJOCC-HUUCEWRRSA-N -1 3 371.445 1.246 20 30 FDEDHM C=CCCCC(=O)N[C@@H]1CN(c2nc(C)ccc2-c2nn[n-]n2)C[C@H]1OC ZINC001573335670 947485308 /nfs/dbraw/zinc/48/53/08/947485308.db2.gz SBWZYACIGVJOCC-HUUCEWRRSA-N -1 3 371.445 1.246 20 30 FDEDHM C=CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nnn[n-]3)[nH]2)C1 ZINC001573336003 947494954 /nfs/dbraw/zinc/49/49/54/947494954.db2.gz YNLKXWLRBQLUEK-LBPRGKRZSA-N -1 3 357.418 1.129 20 30 FDEDHM C=CCCCC(=O)NC[C@@H]1CCN(C(=O)c2ccc(-c3nn[n-]n3)[nH]2)C1 ZINC001573336003 947494960 /nfs/dbraw/zinc/49/49/60/947494960.db2.gz YNLKXWLRBQLUEK-LBPRGKRZSA-N -1 3 357.418 1.129 20 30 FDEDHM C=CCCOCC(=O)NC[C@H](C)N(C)c1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573335945 947496213 /nfs/dbraw/zinc/49/62/13/947496213.db2.gz GFWVRQSHWIJHFE-LBPRGKRZSA-N -1 3 359.434 1.104 20 30 FDEDHM C=CCCOCC(=O)NC[C@H](C)N(C)c1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573335945 947496218 /nfs/dbraw/zinc/49/62/18/947496218.db2.gz GFWVRQSHWIJHFE-LBPRGKRZSA-N -1 3 359.434 1.104 20 30 FDEDHM C=CCCO[C@@H](C)C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573336120 947500738 /nfs/dbraw/zinc/50/07/38/947500738.db2.gz IWGJHJYQDSHCRL-LBPRGKRZSA-N -1 3 374.420 1.287 20 30 FDEDHM C=CCCO[C@@H](C)C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573336120 947500748 /nfs/dbraw/zinc/50/07/48/947500748.db2.gz IWGJHJYQDSHCRL-LBPRGKRZSA-N -1 3 374.420 1.287 20 30 FDEDHM C=CCCO[C@H](C)C(=O)NC1CN(Cc2cc(F)ccc2-c2nnn[n-]2)C1 ZINC001573336119 947501760 /nfs/dbraw/zinc/50/17/60/947501760.db2.gz IWGJHJYQDSHCRL-GFCCVEGCSA-N -1 3 374.420 1.287 20 30 FDEDHM C=CCCO[C@H](C)C(=O)NC1CN(Cc2cc(F)ccc2-c2nn[n-]n2)C1 ZINC001573336119 947501769 /nfs/dbraw/zinc/50/17/69/947501769.db2.gz IWGJHJYQDSHCRL-GFCCVEGCSA-N -1 3 374.420 1.287 20 30 FDEDHM C=CCOCC(=O)NC[C@H](CC)Nc1ncc(-c2nnn[n-]2)cc1Cl ZINC001573342871 947547093 /nfs/dbraw/zinc/54/70/93/947547093.db2.gz FTWSTGSNWRPVMZ-NSHDSACASA-N -1 3 365.825 1.424 20 30 FDEDHM C=CCOCC(=O)NC[C@H](CC)Nc1ncc(-c2nn[n-]n2)cc1Cl ZINC001573342871 947547101 /nfs/dbraw/zinc/54/71/01/947547101.db2.gz FTWSTGSNWRPVMZ-NSHDSACASA-N -1 3 365.825 1.424 20 30 FDEDHM C=CCOCC(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nnn[n-]1 ZINC001573343370 947558292 /nfs/dbraw/zinc/55/82/92/947558292.db2.gz OAYGCTVLBUEQCO-LBPRGKRZSA-N -1 3 360.393 1.293 20 30 FDEDHM C=CCOCC(=O)NC[C@@H]1CCCN1c1cccc(F)c1-c1nn[n-]n1 ZINC001573343370 947558299 /nfs/dbraw/zinc/55/82/99/947558299.db2.gz OAYGCTVLBUEQCO-LBPRGKRZSA-N -1 3 360.393 1.293 20 30 FDEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCNc1ccc(-c2nnn[n-]2)c(C)n1 ZINC001573351206 947610542 /nfs/dbraw/zinc/61/05/42/947610542.db2.gz OGDAGTBHGPCPHW-DFBGVHRSSA-N -1 3 371.445 1.468 20 30 FDEDHM C=C[C@@H]1OCC[C@H]1C(=O)N[C@H](C)CCNc1ccc(-c2nn[n-]n2)c(C)n1 ZINC001573351206 947610547 /nfs/dbraw/zinc/61/05/47/947610547.db2.gz OGDAGTBHGPCPHW-DFBGVHRSSA-N -1 3 371.445 1.468 20 30 FDEDHM CC#CCCCC(=O)N1CC[C@@H](Nc2ncccc2-c2nnn[n-]2)[C@@H]1C ZINC001573358106 947657237 /nfs/dbraw/zinc/65/72/37/947657237.db2.gz ATSFGCVLXIGDND-DZGCQCFKSA-N -1 3 353.430 1.857 20 30 FDEDHM CC#CCCCC(=O)N1CC[C@@H](Nc2ncccc2-c2nn[n-]n2)[C@@H]1C ZINC001573358106 947657242 /nfs/dbraw/zinc/65/72/42/947657242.db2.gz ATSFGCVLXIGDND-DZGCQCFKSA-N -1 3 353.430 1.857 20 30 FDEDHM CC#CCCCC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nnn[n-]3)cn2)C1 ZINC001573358366 947661023 /nfs/dbraw/zinc/66/10/23/947661023.db2.gz JDHWCOYQCODWEZ-OTVXOJSOSA-N -1 3 353.430 1.762 20 30 FDEDHM CC#CCCCC(=O)NC[C@H]1C[C@@H](Nc2ccc(-c3nn[n-]n3)cn2)C1 ZINC001573358366 947661027 /nfs/dbraw/zinc/66/10/27/947661027.db2.gz JDHWCOYQCODWEZ-OTVXOJSOSA-N -1 3 353.430 1.762 20 30 FDEDHM CC#CCCCC(=O)NC[C@@H](Nc1ncc(-c2nnn[n-]2)cc1F)C1CC1 ZINC001573358640 947666161 /nfs/dbraw/zinc/66/61/61/947666161.db2.gz NVOWDCDKTJUWTM-OAHLLOKOSA-N -1 3 371.420 1.901 20 30 FDEDHM CC#CCCCC(=O)NC[C@@H](Nc1ncc(-c2nn[n-]n2)cc1F)C1CC1 ZINC001573358640 947666183 /nfs/dbraw/zinc/66/61/83/947666183.db2.gz NVOWDCDKTJUWTM-OAHLLOKOSA-N -1 3 371.420 1.901 20 30 FDEDHM CC(C)[N-]S(=O)(=O)c1cc(C(=O)N[C@](C)(C#N)CN(C)C)ccc1F ZINC000844529164 948138057 /nfs/dbraw/zinc/13/80/57/948138057.db2.gz OOMZNUCVDSSALE-MRXNPFEDSA-N -1 3 370.450 1.086 20 30 FDEDHM C=CCn1c(-c2ccc(-c3nnn[n-]3)cc2)nnc1N1CC(C)(OC)C1 ZINC001340474186 948503896 /nfs/dbraw/zinc/50/38/96/948503896.db2.gz QBEGCIMTJNQGTL-UHFFFAOYSA-N -1 3 352.402 1.536 20 30 FDEDHM C=CCn1c(-c2ccc(-c3nn[n-]n3)cc2)nnc1N1CC(C)(OC)C1 ZINC001340474186 948503904 /nfs/dbraw/zinc/50/39/04/948503904.db2.gz QBEGCIMTJNQGTL-UHFFFAOYSA-N -1 3 352.402 1.536 20 30 FDEDHM CC(C)(C#N)CC(=O)N1CCN(Cc2ccc(-c3nn[n-]n3)cc2)CC1 ZINC001573761371 948841492 /nfs/dbraw/zinc/84/14/92/948841492.db2.gz IABXIFRTVPLMLJ-UHFFFAOYSA-N -1 3 353.430 1.451 20 30 FDEDHM C[C@@H](CCNc1ncccc1-c1nnn[n-]1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574690466 949002507 /nfs/dbraw/zinc/00/25/07/949002507.db2.gz PAVYZZSIWMXXAU-JTQLQIEISA-N -1 3 351.374 1.082 20 30 FDEDHM C[C@@H](CCNc1ncccc1-c1nn[n-]n1)NC(=O)c1cc(C#N)c[nH]1 ZINC001574690466 949002527 /nfs/dbraw/zinc/00/25/27/949002527.db2.gz PAVYZZSIWMXXAU-JTQLQIEISA-N -1 3 351.374 1.082 20 30 FDEDHM CN(C(=O)CSc1ccc(-c2nnn[n-]2)cc1)c1ccc(C#N)nc1 ZINC001570954591 949814741 /nfs/dbraw/zinc/81/47/41/949814741.db2.gz JBFKJJDTHIHLAW-UHFFFAOYSA-N -1 3 351.395 1.888 20 30 FDEDHM CN(C(=O)CSc1ccc(-c2nn[n-]n2)cc1)c1ccc(C#N)nc1 ZINC001570954591 949814756 /nfs/dbraw/zinc/81/47/56/949814756.db2.gz JBFKJJDTHIHLAW-UHFFFAOYSA-N -1 3 351.395 1.888 20 30 FDEDHM C=CC[C@@](C)([N-]S(=O)(=O)c1cccc(Br)n1)C(=O)OC ZINC001196344179 971633602 /nfs/dbraw/zinc/63/36/02/971633602.db2.gz IDQJNNQKSKNUOF-GFCCVEGCSA-N -1 3 363.233 1.630 20 30 FDEDHM CC(C)[C@@H](C#N)N1CCN(C[C@H](O)c2cccc(-c3nn[n-]n3)c2)CC1 ZINC001570974508 950409933 /nfs/dbraw/zinc/40/99/33/950409933.db2.gz NLXNYPHDOPKKMG-SJORKVTESA-N -1 3 355.446 1.066 20 30 FDEDHM C[C@H]1[C@@H](Nc2ccc(-c3nnn[n-]3)nc2)CCN1C(=O)C#CC(C)(C)C ZINC001575916578 950545139 /nfs/dbraw/zinc/54/51/39/950545139.db2.gz QORNMWABTRVKQU-JSGCOSHPSA-N -1 3 353.430 1.713 20 30 FDEDHM C[C@H]1[C@@H](Nc2ccc(-c3nn[n-]n3)nc2)CCN1C(=O)C#CC(C)(C)C ZINC001575916578 950545153 /nfs/dbraw/zinc/54/51/53/950545153.db2.gz QORNMWABTRVKQU-JSGCOSHPSA-N -1 3 353.430 1.713 20 30 FDEDHM N#Cc1c(N)sc2c1CCN(C(=O)c1csc(-c3nnn[n-]3)c1)C2 ZINC001570989074 950820541 /nfs/dbraw/zinc/82/05/41/950820541.db2.gz YNFQOPZLTCCYQP-UHFFFAOYSA-N -1 3 357.424 1.642 20 30 FDEDHM C[C@H](CC(=O)NCC1(C#N)CCCC1)/N=C1/[N-]S(=O)(=O)c2ccccc21 ZINC000846342981 950963706 /nfs/dbraw/zinc/96/37/06/950963706.db2.gz AUUYIYHFMRSBBN-CYBMUJFWSA-N -1 3 374.466 1.704 20 30 FDEDHM N#Cc1ccc(N2CCN(C(=O)c3cc(-c4nnn[n-]4)ccn3)CC2)cc1 ZINC001570998268 951079808 /nfs/dbraw/zinc/07/98/08/951079808.db2.gz JHCCKYMLZWLSGF-UHFFFAOYSA-N -1 3 360.381 1.096 20 30 FDEDHM N#Cc1ccc(N2CCN(C(=O)c3cc(-c4nn[n-]n4)ccn3)CC2)cc1 ZINC001570998268 951079831 /nfs/dbraw/zinc/07/98/31/951079831.db2.gz JHCCKYMLZWLSGF-UHFFFAOYSA-N -1 3 360.381 1.096 20 30 FDEDHM Cc1ccc(S(=O)(=O)NCc2ccc(C#N)s2)c(-c2nnn[n-]2)c1 ZINC001570998974 951094887 /nfs/dbraw/zinc/09/48/87/951094887.db2.gz WHXUWOXSEUYNFT-UHFFFAOYSA-N -1 3 360.424 1.587 20 30 FDEDHM Cc1ccc(S(=O)(=O)NCc2ccc(C#N)s2)c(-c2nn[n-]n2)c1 ZINC001570998974 951094901 /nfs/dbraw/zinc/09/49/01/951094901.db2.gz WHXUWOXSEUYNFT-UHFFFAOYSA-N -1 3 360.424 1.587 20 30 FDEDHM Cc1cc(N2CCC[C@H](Nc3ccc(C#N)cn3)C2)ncc1-c1nnn[n-]1 ZINC001571000316 951109916 /nfs/dbraw/zinc/10/99/16/951109916.db2.gz MJFYVFZJOWCYRN-AWEZNQCLSA-N -1 3 361.413 1.918 20 30 FDEDHM Cc1cc(N2CCC[C@H](Nc3ccc(C#N)cn3)C2)ncc1-c1nn[n-]n1 ZINC001571000316 951109924 /nfs/dbraw/zinc/10/99/24/951109924.db2.gz MJFYVFZJOWCYRN-AWEZNQCLSA-N -1 3 361.413 1.918 20 30 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