smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Cn1ccc2ccccc21)N[N-]C(=O)c1ccc(-c2nn[nH]n2)cn1 ZINC000737987358 945172457 /nfs/dbraw/zinc/17/24/57/945172457.db2.gz XCHWQACZDWNNEE-UHFFFAOYSA-N -1 0 362.353 0.678 20 50 FCGDRM N#Cc1cccc(C(=O)NNC(=O)CN2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC001601116398 970936048 /nfs/dbraw/zinc/93/60/48/970936048.db2.gz CSLBCGRIAZEVLO-ZDUSSCGKSA-N -1 0 358.398 0.896 20 50 FCGDRM O=C([O-])c1ccccc1CC(=O)NNC(=O)[C@H]1COc2ccccc2O1 ZINC001601368400 970984049 /nfs/dbraw/zinc/98/40/49/970984049.db2.gz DRPNAFQZNVPLJE-OAHLLOKOSA-N -1 0 356.334 0.915 20 50 FCGDRM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)NNc2cccnn2)C1=O ZINC001611344486 971000599 /nfs/dbraw/zinc/00/05/99/971000599.db2.gz JKCMZJYHZPSJHE-TZMCWYRMSA-N -1 0 370.369 0.530 20 50 FCGDRM CC(C)CC(=O)N[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1[N+](=O)[O-] ZINC000735757065 944698255 /nfs/dbraw/zinc/69/82/55/944698255.db2.gz SHVNEVYJDXXEQK-UHFFFAOYSA-N -1 0 369.363 0.131 20 50 FCGDRM CC(C)CCC(=O)NCC(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000735794798 944701150 /nfs/dbraw/zinc/70/11/50/944701150.db2.gz FFCZWVYMZLFWSE-UHFFFAOYSA-N -1 0 364.410 0.974 20 50 FCGDRM CC(C)CCn1cc(C(=O)[N-]NC(=O)c2cccc(-c3nn[nH]n3)c2)nn1 ZINC000735817820 944703297 /nfs/dbraw/zinc/70/32/97/944703297.db2.gz FDCARWVTAWCNIJ-UHFFFAOYSA-N -1 0 369.389 0.579 20 50 FCGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)C(C)(C)S(C)(=O)=O)o1 ZINC000735938595 944717478 /nfs/dbraw/zinc/71/74/78/944717478.db2.gz BQFFZWKPJDNMBE-UHFFFAOYSA-N -1 0 357.396 0.244 20 50 FCGDRM COC(=O)NC(C)(C)C(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000736936040 944913747 /nfs/dbraw/zinc/91/37/47/944913747.db2.gz MXNBCKSFTLOZSE-UHFFFAOYSA-N -1 0 352.355 0.556 20 50 FCGDRM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]NC(=O)C1CCCC1 ZINC000737223703 945013794 /nfs/dbraw/zinc/01/37/94/945013794.db2.gz BZOLCLUHIUHMPW-UHFFFAOYSA-N -1 0 350.404 0.675 20 50 FCGDRM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]NC(=O)Cc1ccccn1 ZINC000737223696 945014218 /nfs/dbraw/zinc/01/42/18/945014218.db2.gz BNUPULYYGDJILA-UHFFFAOYSA-N -1 0 373.398 0.122 20 50 FCGDRM Cc1cc(-c2nn[nH]n2)ccc1S(=O)(=O)[N-]NC(=O)c1ccccn1 ZINC000737225661 945015893 /nfs/dbraw/zinc/01/58/93/945015893.db2.gz QBSAGJPGQTZTNI-UHFFFAOYSA-N -1 0 359.371 0.193 20 50 FCGDRM COC(=O)c1cc(C(=O)NNc2oc(C(C)C)nc2-c2nnn[n-]2)ccn1 ZINC000821666860 945785896 /nfs/dbraw/zinc/78/58/96/945785896.db2.gz JXHFNULBUOSGRQ-UHFFFAOYSA-N -1 0 372.345 0.917 20 50 FCGDRM O=C(COCc1ccccc1)N[N-]C(=O)c1cc(-c2nn[nH]n2)cs1 ZINC000823032488 946282871 /nfs/dbraw/zinc/28/28/71/946282871.db2.gz WCTASEYABSCSMI-UHFFFAOYSA-N -1 0 358.383 0.906 20 50 FCGDRM O=C(COc1ccccc1F)N[N-]C(=O)c1ccc(-c2nn[nH]n2)s1 ZINC000823054906 946298399 /nfs/dbraw/zinc/29/83/99/946298399.db2.gz HCONQQKRAOAIBN-UHFFFAOYSA-N -1 0 362.346 0.907 20 50 FCGDRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NNC(=O)c1cccc2ccccc21 ZINC000823132016 946326138 /nfs/dbraw/zinc/32/61/38/946326138.db2.gz VJRXJNIKVLXKPH-UHFFFAOYSA-N -1 0 363.341 0.073 20 50 FCGDRM C[C@H](Oc1ccc(-c2nn[nH]n2)cc1)C(=O)N[N-]C(=O)c1cccc(F)n1 ZINC000824737855 946921907 /nfs/dbraw/zinc/92/19/07/946921907.db2.gz KMQOGIWQENUJFM-VIFPVBQESA-N -1 0 371.332 0.629 20 50 FCGDRM CC[NH+](CC)Cc1ccc(C(=O)[N-]NC(=O)[C@H]2CC(C(=O)[O-])=NO2)o1 ZINC001589726119 950464849 /nfs/dbraw/zinc/46/48/49/950464849.db2.gz PFCPXSURUITNRJ-GFCCVEGCSA-N -1 0 352.347 0.112 20 50 FCGDRM CC[NH+](CC)Cc1ccc(C(=O)N[N-]C(=O)c2cnc(C(=O)[O-])cn2)o1 ZINC001589726333 950466431 /nfs/dbraw/zinc/46/64/31/950466431.db2.gz SSSKSJJRAAOQOE-UHFFFAOYSA-N -1 0 361.358 0.684 20 50 FCGDRM CCOc1ccc(C(=O)NNC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)cc1OC ZINC001592343231 951322847 /nfs/dbraw/zinc/32/28/47/951322847.db2.gz IAGKPERHVPQZTH-PHIMTYICSA-N -1 0 351.359 0.901 20 50 FCGDRM CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001602903825 971835917 /nfs/dbraw/zinc/83/59/17/971835917.db2.gz LFNXPLUQARUITN-GHMZBOCLSA-N -1 0 373.406 0.319 20 50 FCGDRM CC(C)(C)OC(=O)NCCC(=O)NNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001602903826 971835981 /nfs/dbraw/zinc/83/59/81/971835981.db2.gz LFNXPLUQARUITN-MNOVXSKESA-N -1 0 373.406 0.319 20 50 FCGDRM CCc1ccc(-c2cc(C(=O)NNC(=O)[C@H]3CC(C(=O)[O-])=NO3)[nH]n2)cc1 ZINC001593633648 953594152 /nfs/dbraw/zinc/59/41/52/953594152.db2.gz LWMAMMAADUZMPL-CQSZACIVSA-N -1 0 371.353 0.630 20 50 FCGDRM O=C([O-])[C@H]1CC(C(=O)NNC(=O)C2CCOCC2)=NN1c1ccccc1 ZINC001594782939 953650043 /nfs/dbraw/zinc/65/00/43/953650043.db2.gz OJYRWBOCYDJZEF-CQSZACIVSA-N -1 0 360.370 0.280 20 50 FCGDRM O=C([O-])C1(C(=O)NNC(=O)c2cccc(OC(F)F)c2)CCOCC1 ZINC001594783237 953654621 /nfs/dbraw/zinc/65/46/21/953654621.db2.gz XBQAHJYECIAOMN-UHFFFAOYSA-N -1 0 358.297 0.930 20 50 FCGDRM CCn1nc(C(=O)NNC(=O)[C@@H](C(=O)[O-])C2CC2)c2ccccc2c1=O ZINC001593670727 953879992 /nfs/dbraw/zinc/87/99/92/953879992.db2.gz OXTREUVZAOQZQO-LBPRGKRZSA-N -1 0 358.354 0.288 20 50 FCGDRM O=C([O-])[C@H]1CC(=O)N(C2CCN(S(=O)(=O)CCCCl)CC2)C1 ZINC001594897984 954586751 /nfs/dbraw/zinc/58/67/51/954586751.db2.gz DLCNAXWZDKJDCH-JTQLQIEISA-N -1 0 352.840 0.343 20 50 FCGDRM CNS(=O)(=O)c1ccc(CC(=O)NNc2ncccc2C(=O)[O-])cc1 ZINC001593801892 954855443 /nfs/dbraw/zinc/85/54/43/954855443.db2.gz IELXCCSVTRMIEE-UHFFFAOYSA-N -1 0 364.383 0.374 20 50 FCGDRM O=C([O-])[C@@H]1CC(C(=O)NNC(=O)c2ccncc2)=NN1c1ccccc1 ZINC000740456038 955259089 /nfs/dbraw/zinc/25/90/89/955259089.db2.gz OPCMHJUPAAETIB-AWEZNQCLSA-N -1 0 353.338 0.562 20 50 FCGDRM O=C([O-])CCC(=O)NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000767138617 955318739 /nfs/dbraw/zinc/31/87/39/955318739.db2.gz AVHDKJTZJOWOOL-UHFFFAOYSA-N -1 0 369.399 0.097 20 50 FCGDRM Cc1cccnc1C(=O)NNC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000821125357 955492218 /nfs/dbraw/zinc/49/22/18/955492218.db2.gz ISXCPSJKEIZWGD-AWEZNQCLSA-N -1 0 367.365 0.871 20 50 FCGDRM Cn1cc(C(=O)NNC(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)ccc1=O ZINC001594530460 955527250 /nfs/dbraw/zinc/52/72/50/955527250.db2.gz VELDVQJPCZFUHC-UONOGXRCSA-N -1 0 370.365 0.643 20 50 FCGDRM O=C([O-])C1(CNC(=O)NNC(=O)c2c[nH]c3ccccc32)CCOCC1 ZINC000831068479 955551022 /nfs/dbraw/zinc/55/10/22/955551022.db2.gz XEIPAGKZIQGQPM-UHFFFAOYSA-N -1 0 360.370 0.993 20 50 FCGDRM CC[C@H](C(=O)[O-])N(C)CC(=O)NNC(=O)c1cc(Cl)ccc1OC ZINC000844837487 955680352 /nfs/dbraw/zinc/68/03/52/955680352.db2.gz GFQWLFXXAMZEAZ-LLVKDONJSA-N -1 0 357.794 0.905 20 50 FCGDRM Cc1cc(C)n(CC(=O)NNC(=O)NC[C@H](CC(=O)[O-])CC(C)C)n1 ZINC000851653544 955797094 /nfs/dbraw/zinc/79/70/94/955797094.db2.gz QAWQPZAYIRICKO-ZDUSSCGKSA-N -1 0 353.423 0.967 20 50 FCGDRM COc1ccc(C(=O)NNC(=O)COCC(=O)[O-])cc1Br ZINC001594078834 958247893 /nfs/dbraw/zinc/24/78/93/958247893.db2.gz YAEMIQSGYUSIJM-UHFFFAOYSA-N -1 0 361.148 0.320 20 50 FCGDRM COc1ccccc1CC(=O)NNC(=O)[C@H]1CO[C@H](CCC(=O)[O-])C1 ZINC001574237593 960441723 /nfs/dbraw/zinc/44/17/23/960441723.db2.gz YGVCOCQEOLWJLS-CHWSQXEVSA-N -1 0 350.371 0.655 20 50 FCGDRM CS(=O)(=O)c1ccc(NC(=O)NNC(=O)CCCCC(=O)[O-])cc1 ZINC001604939237 972505850 /nfs/dbraw/zinc/50/58/50/972505850.db2.gz NNXDPZPCHFRFGR-UHFFFAOYSA-N -1 0 357.388 0.888 20 50 FCGDRM CS(=O)(=O)c1cccc(C(=O)NNC(=O)N[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC001604939312 972506959 /nfs/dbraw/zinc/50/69/59/972506959.db2.gz QRNGOAZIFRHREN-MNOVXSKESA-N -1 0 369.399 0.287 20 50 FCGDRM CC(C)(CCl)CS(=O)(=O)N[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC001588779630 961300396 /nfs/dbraw/zinc/30/03/96/961300396.db2.gz KMLZGZPSMJXRNN-SNVBAGLBSA-N -1 0 354.856 0.637 20 50 FCGDRM Cc1nc(N2CCOCC2)sc1C(=O)NNC(=O)CCCCC(=O)[O-] ZINC001574421510 961346899 /nfs/dbraw/zinc/34/68/99/961346899.db2.gz IPKHRCVXUUVDIG-UHFFFAOYSA-N -1 0 370.431 0.694 20 50 FCGDRM CC(C)[C@@H](CNC(=O)NNC(=O)CCCNC(=O)C(C)(C)C)C(=O)[O-] ZINC001588825089 961666329 /nfs/dbraw/zinc/66/63/29/961666329.db2.gz QBWJMRXMGNCTND-LLVKDONJSA-N -1 0 358.439 0.616 20 50 FCGDRM CO[C@@H](C(=O)[O-])C(=O)NNc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001574106217 962440070 /nfs/dbraw/zinc/44/00/70/962440070.db2.gz UPMQLMHQDGBNCX-MRVPVSSYSA-N -1 0 356.278 0.523 20 50 FCGDRM COc1ccc(C(=O)NNC(=O)[C@H]2CO[C@@H](CCC(=O)[O-])C2)cc1OC ZINC001574196539 962883651 /nfs/dbraw/zinc/88/36/51/962883651.db2.gz YPZPJWLOIRFXQQ-NEPJUHHUSA-N -1 0 366.370 0.735 20 50 FCGDRM Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@]2(C(=O)[O-])CCCO2)c1C ZINC001605345385 973240562 /nfs/dbraw/zinc/24/05/62/973240562.db2.gz VABAHAISYGJVRN-SJCJKPOMSA-N -1 0 350.371 0.852 20 50 FCGDRM O=C([O-])CC[C@@H]1C[C@H](C(=O)NNC(=O)c2cc(Br)c[nH]2)CO1 ZINC001606112664 973334541 /nfs/dbraw/zinc/33/45/41/973334541.db2.gz XQVWPHMTBRMDAA-IONNQARKSA-N -1 0 374.191 0.808 20 50 FCGDRM COCCO[C@H](C)C(=O)NNC(=O)Nc1cccc(CCC(=O)[O-])c1 ZINC001604611788 973724833 /nfs/dbraw/zinc/72/48/33/973724833.db2.gz LKYGNIAIPSRXKY-LLVKDONJSA-N -1 0 353.375 0.908 20 50 FCGDRM COc1ccc(C(=O)NNC(=O)CN([C@H](C)C(=O)[O-])C2CC2)cc1OC ZINC001604763959 973983367 /nfs/dbraw/zinc/98/33/67/973983367.db2.gz SCFWNHUQJICOCE-SNVBAGLBSA-N -1 0 365.386 0.402 20 50 FCGDRM CC(C)OCCS(=O)(=O)NCC(=O)NNc1ccccc1C(=O)[O-] ZINC001591726753 975690880 /nfs/dbraw/zinc/69/08/80/975690880.db2.gz LVTBLBWSHXCFOR-UHFFFAOYSA-N -1 0 359.404 0.172 20 50 FCGDRM C[C@H](NS(C)(=O)=O)C(=O)NN=Cc1c[nH]c2ccc(C(=O)[O-])cc12 ZINC000736670594 978347898 /nfs/dbraw/zinc/34/78/98/978347898.db2.gz MVSQMZJXTXWQGC-QMMMGPOBSA-N -1 0 352.372 0.254 20 50 FCGDRM C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1CC(=O)NNC(=O)C1CC1 ZINC000736821129 978359086 /nfs/dbraw/zinc/35/90/86/978359086.db2.gz BUMPLWOFYKCYDL-GFCCVEGCSA-N -1 0 360.414 0.453 20 50 FCGDRM CCC(CC)NC(=O)C(=O)NNC(=O)Cn1cc(C(=O)[O-])c2ccccc21 ZINC000736899294 978365042 /nfs/dbraw/zinc/36/50/42/978365042.db2.gz HLKWBTISOUHJBR-UHFFFAOYSA-N -1 0 374.397 0.792 20 50 FCGDRM CCOc1cc(C(=O)NNC(=O)NCC2CC2)ccc1OCC(=O)[O-] ZINC000737185571 978385870 /nfs/dbraw/zinc/38/58/70/978385870.db2.gz VAPWPDHQDDPQHM-UHFFFAOYSA-N -1 0 351.359 0.903 20 50 FCGDRM CN1CCCN(S(=O)(=O)c2cccc(NC(=O)NNC(=O)[O-])c2)CC1 ZINC000737519585 978413611 /nfs/dbraw/zinc/41/36/11/978413611.db2.gz YYTGCFOZRLRZIT-UHFFFAOYSA-N -1 0 371.419 0.317 20 50 FCGDRM COc1ccc(CNC(=O)NNC(=O)Cc2cccnc2)cc1C(=O)[O-] ZINC000738007065 978465709 /nfs/dbraw/zinc/46/57/09/978465709.db2.gz UHZKMFRUDGIJKH-UHFFFAOYSA-N -1 0 358.354 0.862 20 50 FCGDRM CS(=O)(=O)N1CCC(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CC1 ZINC000738160405 978489737 /nfs/dbraw/zinc/48/97/37/978489737.db2.gz KYPKPLUEZKVTPK-UHFFFAOYSA-N -1 0 372.355 0.870 20 50 FCGDRM O=C([O-])[C@H]1C[C@@H]1C(=O)NNC(=O)COc1ccc(Br)cc1 ZINC000739323290 978628555 /nfs/dbraw/zinc/62/85/55/978628555.db2.gz DTOHGFMOLAGTMT-UWVGGRQHSA-N -1 0 357.160 0.696 20 50 FCGDRM O=C([O-])[C@@H](CNS(=O)(=O)CBr)Oc1ccc(F)cc1 ZINC000776622386 978761340 /nfs/dbraw/zinc/76/13/40/978761340.db2.gz KCTSFLAESIDFKK-SECBINFHSA-N -1 0 356.169 0.930 20 50 FCGDRM C[C@H](Oc1ccc(C=NNC(=O)CNC(=O)c2cccnc2)cc1)C(=O)[O-] ZINC000794918642 978828884 /nfs/dbraw/zinc/82/88/84/978828884.db2.gz UYNNGTYXWSYCBZ-LBPRGKRZSA-N -1 0 370.365 0.814 20 50 FCGDRM CCC(CC)NC(=O)C(=O)NNC(=O)[C@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001595117146 979480327 /nfs/dbraw/zinc/48/03/27/979480327.db2.gz SLLRERVXBFCGGT-UGSOOPFHSA-N -1 0 361.398 0.697 20 50 FCGDRM CC[C@@](CNC(=O)NNC(=O)[C@@H]1CCC(=O)N1)(C(=O)[O-])c1ccccc1 ZINC001595150344 979640818 /nfs/dbraw/zinc/64/08/18/979640818.db2.gz SLMMUSVJDWBGLB-SJCJKPOMSA-N -1 0 362.386 0.028 20 50 FCGDRM C[C@@H](Cc1ccc(NC(=O)C(=O)NNc2nccn(C)c2=O)cc1)C(=O)[O-] ZINC001592857139 979661745 /nfs/dbraw/zinc/66/17/45/979661745.db2.gz CTOPPOFZLMJEFE-JTQLQIEISA-N -1 0 373.369 0.125 20 50 FCGDRM CC[C@H](CNS(C)(=O)=O)NC(=O)NNc1ccc(CC(=O)[O-])cc1 ZINC001595172422 979741988 /nfs/dbraw/zinc/74/19/88/979741988.db2.gz CMBZNXQFRKGKLF-LLVKDONJSA-N -1 0 358.420 0.268 20 50 FCGDRM CC[C@@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC001594867030 982178761 /nfs/dbraw/zinc/17/87/61/982178761.db2.gz PWEQTVLGFHRRSB-SECBINFHSA-N -1 0 351.359 0.590 20 50 FCGDRM CCOC(=O)NNC(=O)C(=O)Nc1ccc(Br)c(C(=O)[O-])c1 ZINC001596663268 984719706 /nfs/dbraw/zinc/71/97/06/984719706.db2.gz PXIDBMYUYRHWON-UHFFFAOYSA-N -1 0 374.147 0.863 20 50 FCGDRM C[C@H]1CC[C@@H](C(=O)NNC(=O)[C@H](CCC(=O)[O-])NC(=O)OC(C)(C)C)O1 ZINC001599906558 984930335 /nfs/dbraw/zinc/93/03/35/984930335.db2.gz CHBXYJOHEYWNON-DCAQKATOSA-N -1 0 373.406 0.459 20 50 FCGDRM CCOCC(=O)NNC(=O)C(=O)Nc1ccc(C[C@H](C)C(=O)[O-])cc1 ZINC001596860977 985630903 /nfs/dbraw/zinc/63/09/03/985630903.db2.gz INAXXGMNCMGLKE-JTQLQIEISA-N -1 0 351.359 0.072 20 50 FCGDRM CCOCc1nc(Cl)cc(NNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)n1 ZINC001596952466 986123378 /nfs/dbraw/zinc/12/33/78/986123378.db2.gz QNRGUVOBDDWGFC-DNSOKLHBSA-N -1 0 358.782 0.988 20 50 FCGDRM C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001594642843 986809815 /nfs/dbraw/zinc/80/98/15/986809815.db2.gz OLPALYBOIWOWMD-NKWVEPMBSA-N -1 0 371.296 0.174 20 50 FCGDRM C[C@@H]1OCC[C@H]1C(=O)NNC(=O)Nc1nc2c(s1)CC[C@H](C(=O)[O-])C2 ZINC001594643420 986819308 /nfs/dbraw/zinc/81/93/08/986819308.db2.gz FUHQVAVIFSPTAW-XHNCKOQMSA-N -1 0 368.415 0.910 20 50 FCGDRM CCOc1ccccc1OCC(=O)NNC(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC001597179954 987041389 /nfs/dbraw/zinc/04/13/89/987041389.db2.gz OVPDAIQVFSVTQQ-GFCCVEGCSA-N -1 0 363.370 0.968 20 50 FCGDRM CCC(=NNC(=O)NCC(=O)[O-])c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001594694450 987108269 /nfs/dbraw/zinc/10/82/69/987108269.db2.gz XQSMRQZXGSAJSR-UHFFFAOYSA-N -1 0 362.795 0.485 20 50 FCGDRM CC(C)(C)C(=O)NNC(=O)CN1CC[C@H](C(=O)[O-])C[C@H]1[C@@H]1CCCO1 ZINC001589693246 987764973 /nfs/dbraw/zinc/76/49/73/987764973.db2.gz DVACYYZYLPIOBD-AVGNSLFASA-N -1 0 355.435 0.524 20 50 FCGDRM CC(C)(C)C(=O)NNC(=O)CN1C[C@@H](c2ccc(O)cc2)[C@H](C(=O)[O-])C1 ZINC001589693615 987767075 /nfs/dbraw/zinc/76/70/75/987767075.db2.gz RANQTZOSXGRQBP-UONOGXRCSA-N -1 0 363.414 0.686 20 50 FCGDRM CSSCCNC(=O)C(=O)N1C[C@@H](C(=O)[O-])Oc2ccccc21 ZINC001599803832 988221749 /nfs/dbraw/zinc/22/17/49/988221749.db2.gz BHCZFAAIGGMYFY-NSHDSACASA-N -1 0 356.425 0.993 20 50 FCGDRM CCc1ccccc1OCC(=O)NNC(=O)Nc1c(C(=O)[O-])cnn1C ZINC001597615287 988533815 /nfs/dbraw/zinc/53/38/15/988533815.db2.gz WBGXZWXZZBXLGN-UHFFFAOYSA-N -1 0 361.358 0.912 20 50 FCGDRM CC(C)(C)OC(=O)N1CC=C(CCNC(=O)NNC(=O)C(=O)[O-])CC1 ZINC001589963925 988777452 /nfs/dbraw/zinc/77/74/52/988777452.db2.gz MQUHLPPEEZYRPK-UHFFFAOYSA-N -1 0 356.379 0.359 20 50 FCGDRM CC(C)(C)OC(=O)N1CCCCC[C@@H]1CNC(=O)NNC(=O)C(=O)[O-] ZINC001590030393 989029792 /nfs/dbraw/zinc/02/97/92/989029792.db2.gz BTSKBOXDCDIFSD-SNVBAGLBSA-N -1 0 358.395 0.581 20 50 FCGDRM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)NNC(=O)[C@H]1CCCO1 ZINC001590119190 989335981 /nfs/dbraw/zinc/33/59/81/989335981.db2.gz UEIDGBGUQJOXBT-VHSXEESVSA-N -1 0 359.379 0.071 20 50 FCGDRM CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)CCSCC(=O)[O-] ZINC001590184211 989529405 /nfs/dbraw/zinc/52/94/05/989529405.db2.gz CVQLTCUFCUYQPP-UHFFFAOYSA-N -1 0 363.436 0.647 20 50 FCGDRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NNC(=O)Cc1ccccn1 ZINC001590246597 989635479 /nfs/dbraw/zinc/63/54/79/989635479.db2.gz MCLRBTARMKCVCL-NSHDSACASA-N -1 0 366.374 0.140 20 50 FCGDRM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)NNC(=O)c1ccccc1F ZINC001590246858 989637162 /nfs/dbraw/zinc/63/71/62/989637162.db2.gz QMMTUWCICQEYBG-NSHDSACASA-N -1 0 369.349 0.955 20 50 FCGDRM CC(C)(C)OC(=O)N[C@H](C(=O)NN=c1ccc(C(=O)[O-])c[nH]1)C(C)(C)O ZINC001590267931 989668033 /nfs/dbraw/zinc/66/80/33/989668033.db2.gz CUMIBSYBKOBNSG-LLVKDONJSA-N -1 0 368.390 0.887 20 50 FCGDRM CN(C)C(=O)Cn1cnc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)n1 ZINC001598135719 990586017 /nfs/dbraw/zinc/58/60/17/990586017.db2.gz XMMDZZXSJUINQL-UHFFFAOYSA-N -1 0 365.325 0.352 20 50 FCGDRM COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccc(C(=O)[O-])[nH]1 ZINC001599683624 990950526 /nfs/dbraw/zinc/95/05/26/990950526.db2.gz SSWAQVLGBKDWOA-UHFFFAOYSA-N -1 0 353.356 0.882 20 50 FCGDRM CN(C)S(=O)(=O)c1cc(C(=O)NN=c2ccc(C(=O)[O-])c[nH]2)n(C)c1 ZINC001598269862 991125491 /nfs/dbraw/zinc/12/54/91/991125491.db2.gz RBFUFTICYHJJKD-UHFFFAOYSA-N -1 0 367.387 0.126 20 50 FCGDRM COc1nccnc1NNC(=O)C(=O)Nc1ccc(F)c(C(=O)[O-])c1C ZINC001599738341 991808318 /nfs/dbraw/zinc/80/83/18/991808318.db2.gz FXYQCTDXPDJUIG-UHFFFAOYSA-N -1 0 363.305 0.713 20 50 FCGDRM CN(CCCNC(=O)NNc1ccc(CC(=O)[O-])cc1)S(C)(=O)=O ZINC001598480573 992142563 /nfs/dbraw/zinc/14/25/63/992142563.db2.gz OPXUCZVJRCAXHK-UHFFFAOYSA-N -1 0 358.420 0.221 20 50 FCGDRM C[C@@H](NC(=O)NNC(=O)C(=O)[O-])[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001593101687 993737797 /nfs/dbraw/zinc/73/77/97/993737797.db2.gz JMWTWMFWUFSQQE-NXEZZACHSA-N -1 0 358.395 0.437 20 50 FCGDRM C[N@@H+]1CCN(CC(=O)NNC(=O)c2cccc(Cl)c2)C[C@@H](C(=O)[O-])C1 ZINC001598616344 993887933 /nfs/dbraw/zinc/88/79/33/993887933.db2.gz QMZLCTRKIKJOHQ-LBPRGKRZSA-N -1 0 368.821 0.049 20 50 FCGDRM COc1cccc(S(C)(=O)=O)c1NNC(=O)c1ccc(C(=O)[O-])cn1 ZINC001599683256 995016945 /nfs/dbraw/zinc/01/69/45/995016945.db2.gz KAOZOHNTAINXBL-UHFFFAOYSA-N -1 0 365.367 0.949 20 50 FCGDRM C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001593639359 995940809 /nfs/dbraw/zinc/94/08/09/995940809.db2.gz JIDDEODDTWIDLA-AXTRIDKLSA-N -1 0 356.762 0.887 20 50 FCGDRM COC(=O)COCC(=O)NNc1cc(C(=O)[O-])ccc1Br ZINC001598866474 996708246 /nfs/dbraw/zinc/70/82/46/996708246.db2.gz VKJQDSSHAQWERX-UHFFFAOYSA-N -1 0 361.148 0.780 20 50 FCGDRM COc1ccc(C(=O)NNC(=O)Nc2cc(C(=O)[O-])n(C)n2)cc1OC ZINC001599483584 996807196 /nfs/dbraw/zinc/80/71/96/996807196.db2.gz DOUNDEWRHJCHKT-UHFFFAOYSA-N -1 0 363.330 0.602 20 50 FCGDRM COCc1cc(NC(=O)C(=O)NNC(=O)c2cccn2C)cc(C(=O)[O-])c1 ZINC001599285414 996967929 /nfs/dbraw/zinc/96/79/29/996967929.db2.gz YQXNXXRRYBNVDM-UHFFFAOYSA-N -1 0 374.353 0.269 20 50 FCGDRM CO[C@]1(C(=O)[O-])CCN(c2nnnn2C[C@]2(C)C[C@@H]2Br)C1 ZINC001599080237 996979968 /nfs/dbraw/zinc/97/99/68/996979968.db2.gz KDNACRYGFWKOIP-KPXOXKRLSA-N -1 0 360.212 0.527 20 50 FCGDRM COc1ccc([C@@H](NCC(=O)NNC(=O)c2ccccc2)C(=O)[O-])cc1 ZINC001599525709 997553847 /nfs/dbraw/zinc/55/38/47/997553847.db2.gz AUMSEGCUYICSPD-MRXNPFEDSA-N -1 0 357.366 0.872 20 50 FCGDRM CC1=C(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)[C@@H](C)n2nnnc2N1C ZINC001594093956 998059844 /nfs/dbraw/zinc/05/98/44/998059844.db2.gz RXQCGZCXZCWBAC-MRVPVSSYSA-N -1 0 361.337 0.939 20 50 FCGDRM COc1cc(C(=O)NNC(=S)NCCCC(=O)[O-])cc(OC)c1OC ZINC001599355138 998165872 /nfs/dbraw/zinc/16/58/72/998165872.db2.gz GNLTXKJHWJFIHW-UHFFFAOYSA-N -1 0 371.415 0.686 20 50 FCGDRM COc1cc(C(=O)[O-])cc(NC(=O)NNC(=O)[C@@H]2CCO[C@H]2C)c1OC ZINC001599360997 998260950 /nfs/dbraw/zinc/26/09/50/998260950.db2.gz UISOKAYGVHIARV-WCBMZHEXSA-N -1 0 367.358 0.980 20 50 FCGDRM COc1cc(C(=O)[O-])ccc1CCNC(=O)NNC(=O)Nc1ccncc1 ZINC001599365613 998330074 /nfs/dbraw/zinc/33/00/74/998330074.db2.gz LSHKPSPGKHQRQO-UHFFFAOYSA-N -1 0 373.369 0.789 20 50 FCGDRM COC(CN(CCC(=O)[O-])CC(=O)NNC(=O)c1ccc(C)cc1)OC ZINC001599048266 999167366 /nfs/dbraw/zinc/16/73/66/999167366.db2.gz QZKRVRXCABXSPY-UHFFFAOYSA-N -1 0 367.402 0.152 20 50 FCGDRM Cc1cccc(C(=O)NNC(=O)COC(=O)CCCN(C)C(=O)[O-])c1 ZINC000832963459 600664984 /nfs/dbraw/zinc/66/49/84/600664984.db2.gz SWVCKCXXOXOLHX-UHFFFAOYSA-N -1 0 351.359 0.689 20 50 FCGDRM CC(C)c1nc(-c2nnn[n-]2)c(NNC(=O)[C@H]2CCn3ccnc3C2)o1 ZINC000824352809 607461691 /nfs/dbraw/zinc/46/16/91/607461691.db2.gz OSIVXVIXURPDIX-VIFPVBQESA-N -1 0 357.378 0.880 20 50 FCGDRM CC(=NNC(=O)C=C1CC(=O)NC(=O)N1)c1ccc(OCC(=O)[O-])cc1 ZINC000825798380 600723821 /nfs/dbraw/zinc/72/38/21/600723821.db2.gz IPCOVOLGEFUSHM-UHFFFAOYSA-N -1 0 360.326 0.434 20 50 FCGDRM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NNC(=O)CNC(=O)c2cccs2)C1 ZINC000833109729 600921894 /nfs/dbraw/zinc/92/18/94/600921894.db2.gz RLQFIHZWDYRROW-NXEZZACHSA-N -1 0 353.400 0.516 20 50 FCGDRM C[C@H](Sc1ccccc1C(=O)NNC(=O)[C@H]1COCCO1)C(=O)[O-] ZINC000827916466 601097064 /nfs/dbraw/zinc/09/70/64/601097064.db2.gz SWFKDNNXZIBGBL-GXSJLCMTSA-N -1 0 354.384 0.428 20 50 FCGDRM O=C([O-])c1ccsc1N1CC[C@H](NC(=O)NN=c2nccc[nH]2)C1=O ZINC000833148881 601155791 /nfs/dbraw/zinc/15/57/91/601155791.db2.gz SPTBMZNQPDFZTJ-VIFPVBQESA-N -1 0 362.371 0.668 20 50 FCGDRM CCOc1cc(C(=O)NNc2nccn(C)c2=O)ccc1OCC(=O)[O-] ZINC000830038589 601374951 /nfs/dbraw/zinc/37/49/51/601374951.db2.gz PPAWVMILWITUEB-UHFFFAOYSA-N -1 0 362.342 0.399 20 50 FCGDRM CN(CC(=O)NNC(=O)C1CC1)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000830676593 601904331 /nfs/dbraw/zinc/90/43/31/601904331.db2.gz STJVVNRRWFLGPE-ZDUSSCGKSA-N -1 0 359.304 0.719 20 50 FCGDRM CC(C)[C@H](NC(=O)[O-])C(=O)OCC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000824142324 604384001 /nfs/dbraw/zinc/38/40/01/604384001.db2.gz CTTISCIJENYFCN-ZDUSSCGKSA-N -1 0 362.342 0.155 20 50 FCGDRM C[C@]1(NNC(=O)NCCc2cccc(C(=O)[O-])c2)CCS(=O)(=O)C1 ZINC000833568942 604601138 /nfs/dbraw/zinc/60/11/38/604601138.db2.gz IXWZVUMKUFJPSL-HNNXBMFYSA-N -1 0 355.416 0.308 20 50 FCGDRM CCOc1ccc(C(=O)NNC(=O)NC2CN(C(=O)[O-])C2)cc1OC ZINC000827428560 604601872 /nfs/dbraw/zinc/60/18/72/604601872.db2.gz VQOCDEJMUOZZLY-UHFFFAOYSA-N -1 0 352.347 0.400 20 50 FCGDRM CC(C)OC[C@H](C(=O)[O-])N(C)CC(=O)NNC(=O)c1cccc(C#N)c1 ZINC000833505120 604614692 /nfs/dbraw/zinc/61/46/92/604614692.db2.gz HQDKTTCLUFTTIS-CQSZACIVSA-N -1 0 362.386 0.129 20 50 FCGDRM CCOC(=O)NCCCC(=O)NNc1oc(C(C)C)nc1-c1nnn[n-]1 ZINC000825523210 607711696 /nfs/dbraw/zinc/71/16/96/607711696.db2.gz OMMAHKUONSAMQZ-UHFFFAOYSA-N -1 0 366.382 0.948 20 50 FCGDRM Cc1[nH]c(C(=O)NNC(=O)CNC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC000833740371 605411106 /nfs/dbraw/zinc/41/11/06/605411106.db2.gz RBVLMDHNVWYXTI-UHFFFAOYSA-N -1 0 354.363 0.615 20 50 FCGDRM CC(C)(C)OC(=O)NCC(=O)NNC(=O)NCC1(C(=O)[O-])CCCCC1 ZINC000833439558 605440377 /nfs/dbraw/zinc/44/03/77/605440377.db2.gz UUFLFOVKGFTGIU-UHFFFAOYSA-N -1 0 372.422 0.877 20 50 FCGDRM CNC(=O)c1ccc(NC(=O)C(=O)NNc2cccc(C(=O)[O-])c2)cc1 ZINC000833699888 605486471 /nfs/dbraw/zinc/48/64/71/605486471.db2.gz CCSQOHSYDOJXKD-UHFFFAOYSA-N -1 0 356.338 0.826 20 50 FCGDRM CC(=NNC(=O)NCC(=O)[O-])c1ccc(S(=O)(=O)CC(F)F)cc1 ZINC000833385461 605587393 /nfs/dbraw/zinc/58/73/93/605587393.db2.gz ZFCXBHGHXHGBEG-UHFFFAOYSA-N -1 0 363.342 0.833 20 50 FCGDRM 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Cn1c(=O)c2ccccc2nc1NNC(=O)[C@H]1CO[C@@H](CCC(=O)[O-])C1 ZINC001594522322 955462919 /nfs/dbraw/zinc/46/29/19/955462919.db2.gz RNZOWQQSJDTHBW-MNOVXSKESA-N -1 0 360.370 0.647 20 50 FCGDRM O=C([O-])C1CCC(NC(=O)NNC(=O)Cc2cn3ccccc3n2)CC1 ZINC000821396101 955503032 /nfs/dbraw/zinc/50/30/32/955503032.db2.gz IUYODDMMDPRRNE-UHFFFAOYSA-N -1 0 359.386 0.851 20 50 FCGDRM O=C([O-])C1CCC(NC(=O)NNC(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000821451611 955506239 /nfs/dbraw/zinc/50/62/39/955506239.db2.gz BLVDCUOQZMFTMS-QIMFLAQGSA-N -1 0 363.370 0.800 20 50 FCGDRM C[C@](CNC(=O)NN[C@]1(C)CCS(=O)(=O)C1)(C(=O)[O-])c1ccccc1 ZINC000846128626 955693760 /nfs/dbraw/zinc/69/37/60/955693760.db2.gz JLDURDCTFKLOIV-HZPDHXFCSA-N -1 0 369.443 0.410 20 50 FCGDRM COC(=O)c1cc(NNC(=O)c2cccn(CC(=O)[O-])c2=O)ccc1C ZINC001593880816 955707296 /nfs/dbraw/zinc/70/72/96/955707296.db2.gz ATQAXCRVXVHOOG-UHFFFAOYSA-N -1 0 359.338 0.785 20 50 FCGDRM C[C@H](NC(=O)NN[C@]1(C)CCS(=O)(=O)C1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000848594950 955767649 /nfs/dbraw/zinc/76/76/49/955767649.db2.gz CJGKNFFTJFEWTB-KIGUWFBYSA-N -1 0 361.464 0.503 20 50 FCGDRM CO[C@@](C)(C(=O)[O-])C(=O)NNC(=O)c1cc(-c2cc(C)ccc2C)n[nH]1 ZINC001593926567 956133216 /nfs/dbraw/zinc/13/32/16/956133216.db2.gz JZGLQEIAXGOWAU-QGZVFWFLSA-N -1 0 360.370 0.944 20 50 FCGDRM O=C([O-])c1cccnc1NNC(=O)CCn1c(=O)[nH]c(=O)c2ccccc21 ZINC001594690003 956740331 /nfs/dbraw/zinc/74/03/31/956740331.db2.gz JGCSLZAOWFUFCK-UHFFFAOYSA-N -1 0 369.337 0.729 20 50 FCGDRM O=C([O-])C1CC2(C1)CC[C@@H](CNC(=O)NNC(=O)Cc1cccnc1)O2 ZINC001594711317 956883296 /nfs/dbraw/zinc/88/32/96/956883296.db2.gz PXJVYNCTGFGYIG-JZLYGMAVSA-N -1 0 362.386 0.367 20 50 FCGDRM O=C([O-])[C@@]1(C(=O)NNc2c(F)cc(C(=O)NC3CC3)cc2F)CCCO1 ZINC001594731440 957042993 /nfs/dbraw/zinc/04/29/93/957042993.db2.gz UYAHJJRNOWDOJD-INIZCTEOSA-N -1 0 369.324 0.934 20 50 FCGDRM O=C([O-])Cn1cccc(C(=O)NNc2cccc(Br)n2)c1=O ZINC001574748471 957717844 /nfs/dbraw/zinc/71/78/44/957717844.db2.gz QNXUOJZLKCCCPT-UHFFFAOYSA-N -1 0 367.159 0.847 20 50 FCGDRM COc1cc(C(=O)NNC(=O)[C@H]2CC[C@H]2C(=O)[O-])cc(OC)c1OC ZINC001594051476 957996859 /nfs/dbraw/zinc/99/68/59/957996859.db2.gz SDMNUVMBFCHYEE-VHSXEESVSA-N -1 0 352.343 0.584 20 50 FCGDRM COc1cc(OC)cc(C(=O)NNC(=O)[C@@H]2CO[C@H](CCC(=O)[O-])C2)c1 ZINC001594068784 958164746 /nfs/dbraw/zinc/16/47/46/958164746.db2.gz PMLBZGRVRBKMDL-NWDGAFQWSA-N -1 0 366.370 0.735 20 50 FCGDRM Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)[C@H]2CC(C(=O)[O-])=NO2)c1 ZINC001594349930 958341149 /nfs/dbraw/zinc/34/11/49/958341149.db2.gz REGDAZBOZVDWIB-CQSZACIVSA-N -1 0 363.370 0.874 20 50 FCGDRM COc1cccc(C(=O)NNC(=O)c2cccc(OCC(=O)[O-])c2)c1O ZINC001594122114 958604901 /nfs/dbraw/zinc/60/49/01/958604901.db2.gz SOVKDLHFFXMQGR-UHFFFAOYSA-N -1 0 360.322 0.939 20 50 FCGDRM CS(=O)(=O)c1ccc(NC(=O)NNC(=O)[C@@H]2CC[C@H]2C(=O)[O-])cc1 ZINC001594174503 959030325 /nfs/dbraw/zinc/03/03/25/959030325.db2.gz XLXYVINLLWVVKB-GHMZBOCLSA-N -1 0 355.372 0.354 20 50 FCGDRM Cc1csc(C(=O)NNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)c1 ZINC001594436051 959234106 /nfs/dbraw/zinc/23/41/06/959234106.db2.gz SUDQPRZKNNFPOR-UHFFFAOYSA-N -1 0 360.413 0.097 20 50 FCGDRM Cc1nc(Cl)cc(NNC(=O)C2(C(=O)[O-])CCS(=O)(=O)CC2)n1 ZINC001594453410 959398905 /nfs/dbraw/zinc/39/89/05/959398905.db2.gz PJPVUIGAXSOWTA-UHFFFAOYSA-N -1 0 362.795 0.161 20 50 FCGDRM CS(=O)(=O)Nc1cccc(C(=O)NNc2ncccc2C(=O)[O-])c1 ZINC001604931838 972494077 /nfs/dbraw/zinc/49/40/77/972494077.db2.gz GJGLDLDLPDEDJH-UHFFFAOYSA-N -1 0 350.356 0.908 20 50 FCGDRM Cc1ccc(C)c(-c2cc(C(=O)NNC(=O)[C@@H]3CC(C(=O)[O-])=NO3)[nH]n2)c1 ZINC001574359417 961013199 /nfs/dbraw/zinc/01/31/99/961013199.db2.gz GUZGPNLPVVOGNN-AWEZNQCLSA-N -1 0 371.353 0.684 20 50 FCGDRM Cc1nn(CCCl)c(C)c1C(=O)N[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC001574434590 961393984 /nfs/dbraw/zinc/39/39/84/961393984.db2.gz NJZZUNWWSBXSCQ-LBPRGKRZSA-N -1 0 370.837 0.934 20 50 FCGDRM CCS(=O)(=O)N1CCC(C(=O)NN=c2[nH]cccc2C(=O)[O-])CC1 ZINC001573928507 961557489 /nfs/dbraw/zinc/55/74/89/961557489.db2.gz BDIBAGVXLUQJFW-UHFFFAOYSA-N -1 0 356.404 0.285 20 50 FCGDRM O=C([O-])c1ccccc1CC(=O)NNC(=O)[C@@H]1CCN1C1CCOCC1 ZINC001574538987 961938512 /nfs/dbraw/zinc/93/85/12/961938512.db2.gz XZHNJPGYPXUDHW-HNNXBMFYSA-N -1 0 361.398 0.328 20 50 FCGDRM COc1ccc(OCC(=O)NNC(=O)NCCC(C)(C)C(=O)[O-])cc1 ZINC000818625309 969191203 /nfs/dbraw/zinc/19/12/03/969191203.db2.gz YGGSIIMBOALWFI-UHFFFAOYSA-N -1 0 353.375 0.905 20 50 FCGDRM O=C([O-])[C@]1(C(=O)NNc2ccc(S(=O)(=O)NC3CC3)cc2)CCCO1 ZINC001605936051 972878694 /nfs/dbraw/zinc/87/86/94/972878694.db2.gz YRBGURSESWZWIP-OAHLLOKOSA-N -1 0 369.399 0.204 20 50 FCGDRM Cc1ccc(NCC(=O)NNC(=O)c2cccn(CC(=O)[O-])c2=O)cc1 ZINC001605296310 973107508 /nfs/dbraw/zinc/10/75/08/973107508.db2.gz DCPORNKJGWATHE-UHFFFAOYSA-N -1 0 358.354 0.114 20 50 FCGDRM O=C([O-])[C@@H]1CN(C(=O)NNC(=O)[C@H]2OCC[C@H]2c2ccccc2)CCO1 ZINC001606038129 973138554 /nfs/dbraw/zinc/13/85/54/973138554.db2.gz CQQHWCYPEBHKAP-IHRRRGAJSA-N -1 0 363.370 0.085 20 50 FCGDRM O=C([O-])CC1(C(=O)NNC(=O)c2cncn2-c2ccccc2)CCOCC1 ZINC001606071994 973220558 /nfs/dbraw/zinc/22/05/58/973220558.db2.gz UMZBFPKFYNKZEK-UHFFFAOYSA-N -1 0 372.381 0.905 20 50 FCGDRM CO[C@@](C)(C(=O)[O-])C(=O)NNC(=O)c1cc(-c2ccc(C)c(C)c2)n[nH]1 ZINC001604464477 973335138 /nfs/dbraw/zinc/33/51/38/973335138.db2.gz SJWPRANEJYGROM-QGZVFWFLSA-N -1 0 360.370 0.944 20 50 FCGDRM Cn1cc(C(=O)NNC(=O)[C@@H]2CCCN(CC(=O)[O-])C2=O)c2ccccc21 ZINC001605481180 973598424 /nfs/dbraw/zinc/59/84/24/973598424.db2.gz PASMSYLDONOUGR-LBPRGKRZSA-N -1 0 372.381 0.263 20 50 FCGDRM Cn1nccc1[C@@H](NCC(=O)NNC(=O)c1ccccc1Cl)C(=O)[O-] ZINC001605568501 973819290 /nfs/dbraw/zinc/81/92/90/973819290.db2.gz SUWRQAMIGUTXCO-CYBMUJFWSA-N -1 0 365.777 0.250 20 50 FCGDRM COc1cc(C(=O)NNC(=O)c2cc(C(=O)[O-])n[nH]2)ccc1OC(C)C ZINC001604686906 973883154 /nfs/dbraw/zinc/88/31/54/973883154.db2.gz RFCCJGLQJQPIMS-UHFFFAOYSA-N -1 0 362.342 0.979 20 50 FCGDRM COc1cc[nH]c(=NNC(=O)NC[C@H]2CCC3(CC(C(=O)[O-])C3)O2)n1 ZINC001604898565 974156377 /nfs/dbraw/zinc/15/63/77/974156377.db2.gz DXBVRBOWALATAL-KGXJWFGYSA-N -1 0 351.363 0.524 20 50 FCGDRM COc1ccc(Br)c(C(=O)NNC(=O)CN(C)C(=O)[O-])c1 ZINC000737917732 978457551 /nfs/dbraw/zinc/45/75/51/978457551.db2.gz MSWIJSZGQYODSZ-UHFFFAOYSA-N -1 0 360.164 0.829 20 50 FCGDRM Cn1ncc2c1ncn(CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)c2=O ZINC000739062614 978615580 /nfs/dbraw/zinc/61/55/80/978615580.db2.gz JUYRPZAHGTURAH-UHFFFAOYSA-N -1 0 373.281 0.342 20 50 FCGDRM O=C([O-])c1cc(OC(=O)Cn2ncn3nccc3c2=O)ccc1[N+](=O)[O-] ZINC000739358925 978632487 /nfs/dbraw/zinc/63/24/87/978632487.db2.gz YIFASFQDUFAEIK-UHFFFAOYSA-N -1 0 359.254 0.103 20 50 FCGDRM O=C([O-])N1CCC[C@@H](NC(=O)NNC(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000739453044 978636242 /nfs/dbraw/zinc/63/62/42/978636242.db2.gz AWBZSZOWIFSIPL-SECBINFHSA-N -1 0 374.357 0.422 20 50 FCGDRM O=C([O-])CSCCNC(=O)NNC(=O)c1cc(Br)c[nH]1 ZINC000739862953 978657364 /nfs/dbraw/zinc/65/73/64/978657364.db2.gz QDNBRMYCBHXGID-UHFFFAOYSA-N -1 0 365.209 0.539 20 50 FCGDRM C[C@H](Nc1nc2ccccc2s1)C(=O)NN=Cc1cn(CC(=O)[O-])nn1 ZINC000768482752 978737512 /nfs/dbraw/zinc/73/75/12/978737512.db2.gz MYYXIMOJJBLBIC-VIFPVBQESA-N -1 0 373.398 0.923 20 50 FCGDRM CCOc1ccc(O[C@@H](C)C(=O)NN=Cc2cn(CC(=O)[O-])nn2)cc1 ZINC000768483005 978737564 /nfs/dbraw/zinc/73/75/64/978737564.db2.gz NQTOOMCIDCULQG-NSHDSACASA-N -1 0 361.358 0.679 20 50 FCGDRM O=C([O-])C1(CNC(=O)NNC(=O)Cc2ccccc2F)CCOCC1 ZINC000831062537 979025871 /nfs/dbraw/zinc/02/58/71/979025871.db2.gz LPYRFCMNPVIUPK-UHFFFAOYSA-N -1 0 353.350 0.580 20 50 FCGDRM CCC(CC)NC(=O)C(=O)NNC(=O)[C@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001595117137 979479824 /nfs/dbraw/zinc/47/98/24/979479824.db2.gz SLLRERVXBFCGGT-ACJLOTCBSA-N -1 0 361.398 0.697 20 50 FCGDRM CC[C@@H](NC(=O)NNc1cccc(C(=O)[O-])c1C)C(=O)N1CCOCC1 ZINC001595253159 980227438 /nfs/dbraw/zinc/22/74/38/980227438.db2.gz VMXBPAHRRJKMQX-CYBMUJFWSA-N -1 0 364.402 0.957 20 50 FCGDRM CCN(CC)S(=O)(=O)c1cccc(C(=O)NN[C@H](C(=O)[O-])C2CC2)c1 ZINC001596287031 983705470 /nfs/dbraw/zinc/70/54/70/983705470.db2.gz HFACZRCUHFHYML-AWEZNQCLSA-N -1 0 369.443 0.815 20 50 FCGDRM CCNC(=O)N(C)NC(=O)Nc1ccc(C(=O)[O-])cc1OCC(=O)NC ZINC001596463186 984179799 /nfs/dbraw/zinc/17/97/99/984179799.db2.gz SLJJMLJNUOTISY-UHFFFAOYSA-N -1 0 367.362 0.207 20 50 FCGDRM CCOC(=O)Cn1cnc(NC(=O)NNc2cccc(C(=O)[O-])c2F)n1 ZINC001596637968 984629666 /nfs/dbraw/zinc/62/96/66/984629666.db2.gz SVDNQGTYQYOGKA-UHFFFAOYSA-N -1 0 366.309 0.827 20 50 FCGDRM C[C@H](NC(=O)[C@H](C)NC(=O)NNc1ccc(OC(F)F)cc1)C(=O)[O-] ZINC001599898646 984785523 /nfs/dbraw/zinc/78/55/23/984785523.db2.gz ZNDLFHVUVUUBEZ-YUMQZZPRSA-N -1 0 360.317 0.892 20 50 FCGDRM C[C@H]1CC[C@@H](C(=O)NNC(=O)C(=O)Nc2cccc(CCC(=O)[O-])c2)O1 ZINC001599906568 984930590 /nfs/dbraw/zinc/93/05/90/984930590.db2.gz CNDYWMZIVUMZIL-GWCFXTLKSA-N -1 0 363.370 0.357 20 50 FCGDRM CC(=O)N1CCC(C(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)CC1 ZINC001589057938 985173331 /nfs/dbraw/zinc/17/33/31/985173331.db2.gz QMZXAIJPVPKFRG-UHFFFAOYSA-N -1 0 354.432 0.838 20 50 FCGDRM CCO[C@@H]1C[C@](NCC(=O)NNC(=O)c2cccs2)(C(=O)[O-])C1(C)C ZINC001596831933 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/nfs/dbraw/zinc/62/35/01/978623501.db2.gz OYFBKOVIOLXANX-UHFFFAOYSA-N -1 0 358.328 0.624 20 50 FCGDRM O=C([O-])N1CCC[C@@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000739453244 978637113 /nfs/dbraw/zinc/63/71/13/978637113.db2.gz DLXWVHCTLYDFRS-SNVBAGLBSA-N -1 0 351.319 0.681 20 50 FCGDRM O=C([O-])c1ccc(C(=O)NNC(=O)C2CCN(c3ncccn3)CC2)cn1 ZINC000739453284 978637146 /nfs/dbraw/zinc/63/71/46/978637146.db2.gz FEGRKIRMERFUBV-UHFFFAOYSA-N -1 0 370.369 0.247 20 50 FCGDRM C[C@@H](Oc1ccc(C=NNC(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)[O-] ZINC000794887762 978825898 /nfs/dbraw/zinc/82/58/98/978825898.db2.gz BUSRSQJCFWXOAM-ZYHUDNBSSA-N -1 0 354.384 0.423 20 50 FCGDRM CN(C)c1cccc(C(=O)NNC(=O)NCC2(C(=O)[O-])CCOCC2)c1 ZINC000831068219 979026202 /nfs/dbraw/zinc/02/62/02/979026202.db2.gz MZPYIEWWOPZRCH-UHFFFAOYSA-N -1 0 364.402 0.578 20 50 FCGDRM CCC(CC)NC(=O)C(=O)NNC(=O)[C@@]1(C(=O)[O-])C[C@@H]1c1ccccc1 ZINC001595117139 979480192 /nfs/dbraw/zinc/48/01/92/979480192.db2.gz SLLRERVXBFCGGT-FZKQIMNGSA-N -1 0 361.398 0.697 20 50 FCGDRM CC[C@H](NC(=O)NNc1cccc(C(=O)[O-])c1)C(=O)N1CCOCC1 ZINC001595252868 980224626 /nfs/dbraw/zinc/22/46/26/980224626.db2.gz QXVQDPUZARHZEZ-ZDUSSCGKSA-N -1 0 350.375 0.648 20 50 FCGDRM CC[C@@H](NC(=O)NNC(=O)C(=O)[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC001595253203 980228418 /nfs/dbraw/zinc/22/84/18/980228418.db2.gz OVSFPKZHMQFDLA-ZIAGYGMSSA-N -1 0 364.402 0.081 20 50 FCGDRM CC[C@H](C(=O)[O-])C(=O)NNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001594755716 981668731 /nfs/dbraw/zinc/66/87/31/981668731.db2.gz PPGMGDATMHKDFE-MNOVXSKESA-N -1 0 357.407 0.892 20 50 FCGDRM CC[C@H](C)C(=O)NNC(=O)C(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC001594867034 982178794 /nfs/dbraw/zinc/17/87/94/982178794.db2.gz PWEQTVLGFHRRSB-VIFPVBQESA-N -1 0 351.359 0.590 20 50 FCGDRM CCNC(=O)N(C)NC(=O)C(=O)Nc1cc(C(=O)[O-])cc(OC)c1OC ZINC001596463099 984179112 /nfs/dbraw/zinc/17/91/12/984179112.db2.gz OQOUJDDWMFCBCF-UHFFFAOYSA-N -1 0 368.346 0.033 20 50 FCGDRM C=CCN1C(=O)C(=O)N(CC(=O)NNc2cccc(C(=O)[O-])c2C)C1=O ZINC001588832760 984326073 /nfs/dbraw/zinc/32/60/73/984326073.db2.gz XKJBXHKFRSINCF-UHFFFAOYSA-N -1 0 360.326 0.113 20 50 FCGDRM C[C@H](NC(=O)[C@H](C)NC(=O)NNC(=O)c1ccc(Cl)cc1F)C(=O)[O-] ZINC001599897697 984773692 /nfs/dbraw/zinc/77/36/92/984773692.db2.gz KNPNUCCLSUWFEG-BQBZGAKWSA-N -1 0 374.756 0.401 20 50 FCGDRM CCOc1ccc(C(=O)NNC(=O)[C@H]2C[C@@H](C)[C@H](C(=O)[O-])O2)cc1OC ZINC001597062638 986559849 /nfs/dbraw/zinc/55/98/49/986559849.db2.gz ZXJWVUXYXBHZEK-OWYVNGRQSA-N -1 0 366.370 0.733 20 50 FCGDRM CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](Cn2cncn2)C(=O)[O-])cc1 ZINC001597081607 986625921 /nfs/dbraw/zinc/62/59/21/986625921.db2.gz LZCFJENSCJOJBM-LPYTZGJOSA-N -1 0 355.354 0.853 20 50 FCGDRM C[C@@H]1OCC[C@H]1C(=O)NNC(=O)C(=O)Nc1ccc(C(=O)[O-])c(F)c1 ZINC001594643791 986826656 /nfs/dbraw/zinc/82/66/56/986826656.db2.gz XYRCHULHUCOCMZ-IONNQARKSA-N -1 0 353.306 0.035 20 50 FCGDRM C[C@H]1OCC[C@@H]1C(=O)NNC(=O)c1cc(C(=O)[O-])nn1-c1ccccc1 ZINC001594645542 986840490 /nfs/dbraw/zinc/84/04/90/986840490.db2.gz TXUNLGQXZIOXGV-PWSUYJOCSA-N -1 0 358.354 0.757 20 50 FCGDRM CCOc1ccccc1OCC(=O)NNC(=O)NC[C@H]1C[C@H]1C(=O)[O-] ZINC001597180133 987043705 /nfs/dbraw/zinc/04/37/05/987043705.db2.gz TUFFXCCCWDMEEH-GHMZBOCLSA-N -1 0 351.359 0.515 20 50 FCGDRM CC[C@H](C(=O)NNC(=O)NCCC(=O)NCCC(=O)[O-])c1ccccc1 ZINC001594737518 987281565 /nfs/dbraw/zinc/28/15/65/987281565.db2.gz WXHDANRSDQUKRM-ZDUSSCGKSA-N -1 0 364.402 0.492 20 50 FCGDRM CC(C)(C)C(=O)NNC(=O)C(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001589693410 987766253 /nfs/dbraw/zinc/76/62/53/987766253.db2.gz MHOSXYZWAZNDAN-UHFFFAOYSA-N -1 0 351.359 0.672 20 50 FCGDRM CCc1ccc(NC(=O)C(=O)NNC(=O)c2ccncc2)c(C(=O)[O-])c1 ZINC001597540908 988229753 /nfs/dbraw/zinc/22/97/53/988229753.db2.gz YHZJPKGURHXKGJ-UHFFFAOYSA-N -1 0 356.338 0.742 20 50 FCGDRM CC(C)(C)OC(=O)N1CC(=NNC(=O)c2ncccn2)C[C@@H](C(=O)[O-])C1 ZINC001589908531 988633100 /nfs/dbraw/zinc/63/31/00/988633100.db2.gz BOGIJJHCSTYAIN-SNVBAGLBSA-N -1 0 363.374 0.904 20 50 FCGDRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)c1ccc(C(=O)[O-])nc1 ZINC001589992373 988901631 /nfs/dbraw/zinc/90/16/31/988901631.db2.gz SLUZLEHZTLZJBU-LLVKDONJSA-N -1 0 364.358 0.550 20 50 FCGDRM CC(C)(C)OC(=O)NCCC(=O)NNC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001590178828 989526046 /nfs/dbraw/zinc/52/60/46/989526046.db2.gz UMTPCFBLHRJCOZ-UHFFFAOYSA-N -1 0 366.374 0.385 20 50 FCGDRM CC(C)(CCl)CS(=O)(=O)N1CC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC001590701818 990420186 /nfs/dbraw/zinc/42/01/86/990420186.db2.gz UAADUMJKFSANCM-SECBINFHSA-N -1 0 350.828 0.818 20 50 FCGDRM CC(C)(CNC(=O)NNc1ccc(F)c(C(=O)[O-])c1)NS(C)(=O)=O ZINC001590726683 990520639 /nfs/dbraw/zinc/52/06/39/990520639.db2.gz UWLGQXXPDGZHLV-UHFFFAOYSA-N -1 0 362.383 0.478 20 50 FCGDRM CN(C)S(=O)(=O)c1cccc(C(=O)NN=C2CC(CC(=O)[O-])C2)c1 ZINC001598276265 991149555 /nfs/dbraw/zinc/14/95/55/991149555.db2.gz CDTPJNCBNKWPML-UHFFFAOYSA-N -1 0 353.400 0.907 20 50 FCGDRM CN(C)c1ccc(NC(=S)NNC(=O)Cn2cc(C(=O)[O-])cn2)cc1 ZINC001598325817 991344470 /nfs/dbraw/zinc/34/44/70/991344470.db2.gz QPGPNAAPRURJAG-UHFFFAOYSA-N -1 0 362.415 0.665 20 50 FCGDRM COc1ccccc1NCC(=O)NNC(=O)Cc1ccc(C(=O)[O-])nc1 ZINC001599713987 991420260 /nfs/dbraw/zinc/42/02/60/991420260.db2.gz IDLQZZQUCVPDQX-UHFFFAOYSA-N -1 0 358.354 0.590 20 50 FCGDRM COc1ccccc1OCC(=O)NNC(=O)Nc1cc(C(=O)[O-])n(C)n1 ZINC001599716778 991469063 /nfs/dbraw/zinc/46/90/63/991469063.db2.gz KVFNJKWKDGJRBV-UHFFFAOYSA-N -1 0 363.330 0.359 20 50 FCGDRM COc1nccnc1NNC(=O)C(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC001599738262 991807447 /nfs/dbraw/zinc/80/74/47/991807447.db2.gz ARUBYPXWBZWAKB-UHFFFAOYSA-N -1 0 365.733 0.919 20 50 FCGDRM CS(=O)(=O)Cc1nc(C(=O)NNc2cccc(F)c2C(=O)[O-])co1 ZINC001599753372 992020215 /nfs/dbraw/zinc/02/02/15/992020215.db2.gz NQYBHIFZYLOBHX-UHFFFAOYSA-N -1 0 357.319 0.813 20 50 FCGDRM CS(=O)(=O)Cc1nc(C(=O)NNc2ccc(C(=O)[O-])cc2F)co1 ZINC001599753383 992020234 /nfs/dbraw/zinc/02/02/34/992020234.db2.gz OGGPRXDFSDHGOL-UHFFFAOYSA-N -1 0 357.319 0.813 20 50 FCGDRM CS(=O)(=O)N1CCC(NC(=O)NNc2ccc(C(=O)[O-])c(F)c2)CC1 ZINC001599756504 992061254 /nfs/dbraw/zinc/06/12/54/992061254.db2.gz VHDIYJIMIAWOKK-UHFFFAOYSA-N -1 0 374.394 0.574 20 50 FCGDRM CC(C)NC(=O)C(=O)NN=C1C[C@H](C(=O)[O-])CN(C(=O)OC(C)(C)C)C1 ZINC001591634929 992942035 /nfs/dbraw/zinc/94/20/35/992942035.db2.gz GMLCRZJWFXNUOV-JTQLQIEISA-N -1 0 370.406 0.325 20 50 FCGDRM COc1cccc(C(=O)NNC(=O)c2ccc(OCC(=O)[O-])cc2)c1O ZINC001599642619 994379905 /nfs/dbraw/zinc/37/99/05/994379905.db2.gz XPLDFSKYZCUTIU-UHFFFAOYSA-N -1 0 360.322 0.939 20 50 FCGDRM COc1ccc(C(=O)NNC(=O)Nc2cc(C(=O)[O-])n(C)n2)c(OC)c1 ZINC001599483521 996805763 /nfs/dbraw/zinc/80/57/63/996805763.db2.gz ALMAKSMSDLWCHM-UHFFFAOYSA-N -1 0 363.330 0.602 20 50 FCGDRM COc1ccc(C(=O)NNC(=O)CN(CC(=O)[O-])CC(C)C)cc1OC ZINC001599484948 996832256 /nfs/dbraw/zinc/83/22/56/996832256.db2.gz KZWQKIUYDOAEER-UHFFFAOYSA-N -1 0 367.402 0.507 20 50 FCGDRM COCc1cc(NC(=O)C(=O)NNc2ncc(F)cn2)cc(C(=O)[O-])c1 ZINC001599284825 996957988 /nfs/dbraw/zinc/95/79/88/996957988.db2.gz QHPJUAHUQSDJBN-UHFFFAOYSA-N -1 0 363.305 0.542 20 50 FCGDRM CC(C)(C)OC(=O)N1CCC[C@](C)(CNC(=O)NNC(=O)C(=O)[O-])C1 ZINC001594019407 997514717 /nfs/dbraw/zinc/51/47/17/997514717.db2.gz CRQZVBCCDCCSEO-OAHLLOKOSA-N -1 0 358.395 0.439 20 50 FCGDRM C[C@]1(CNS(=O)(=O)c2cnn(CC(=O)[O-])c2)C[C@@H]1Br ZINC001594029952 997585614 /nfs/dbraw/zinc/58/56/14/997585614.db2.gz BIXXJCNCEQVFKB-WCBMZHEXSA-N -1 0 352.210 0.420 20 50 FCGDRM COc1cc(F)cc(NNC(=O)C(=O)Nc2c(C(=O)[O-])cnn2C)c1 ZINC001599426142 997678940 /nfs/dbraw/zinc/67/89/40/997678940.db2.gz YPCNEIWLXPLKGR-UHFFFAOYSA-N -1 0 351.294 0.348 20 50 FCGDRM COc1cc(NC(=O)C(=O)NNC(=O)c2ccccc2)ccc1C(=O)[O-] ZINC001599430049 997743210 /nfs/dbraw/zinc/74/32/10/997743210.db2.gz NMSCQFBIZVWGQW-UHFFFAOYSA-N -1 0 357.322 0.793 20 50 FCGDRM COc1c(NC(=O)C(=O)NNC(=O)[C@@H]2CCCCO2)cccc1C(=O)[O-] ZINC001599336694 997850572 /nfs/dbraw/zinc/85/05/72/997850572.db2.gz KHZQCCZUWXTAGN-NSHDSACASA-N -1 0 365.342 0.048 20 50 FCGDRM COc1cc(C(=O)[O-])ccc1NC(=O)C(=O)NNC(=O)[C@@H]1CC[C@H](C)O1 ZINC001599371886 998424166 /nfs/dbraw/zinc/42/41/66/998424166.db2.gz VNQSQDFXBXIMHT-KWQFWETISA-N -1 0 365.342 0.047 20 50 FCGDRM COc1cc(C(=O)[O-])ccc1NNC(=O)[C@H]1CCCN1S(C)(=O)=O ZINC001599375756 998482440 /nfs/dbraw/zinc/48/24/40/998482440.db2.gz FHWOOCDWBIAIKI-LLVKDONJSA-N -1 0 357.388 0.261 20 50 FCGDRM COC(=O)c1cccc(NNC(=O)CN2CCC[C@H](C(=O)[O-])C2=O)c1F ZINC001598999861 998814719 /nfs/dbraw/zinc/81/47/19/998814719.db2.gz SUKGQWDSQNAWCK-JTQLQIEISA-N -1 0 367.333 0.379 20 50 FCGDRM O=C(Cn1cnc(-c2nnn[n-]2)n1)NNc1ccc(OC(F)(F)F)cc1 ZINC000826425740 607391930 /nfs/dbraw/zinc/39/19/30/607391930.db2.gz QZIKKYBAQXHOFG-UHFFFAOYSA-N -1 0 369.267 0.500 20 50 FCGDRM O=C([O-])[C@H]1CCC[C@H](C(=O)NNC(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000833149502 600835207 /nfs/dbraw/zinc/83/52/07/600835207.db2.gz RZVIZDLLTAKKGL-RYUDHWBXSA-N -1 0 358.358 0.314 20 50 FCGDRM O=C([O-])C[C@H](NC(=O)NNC(=O)[C@@H]1COCCO1)c1ccc(Cl)cc1 ZINC000833264948 601419761 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/nfs/dbraw/zinc/05/15/08/974051508.db2.gz IBEYQCXZFJPBOM-OHVSUOQFSA-N -1 0 363.370 0.392 20 50 FCGDRM COc1ccccc1SCC(=O)NNC(=O)c1cc(C(=O)[O-])n[nH]1 ZINC001604896876 974153492 /nfs/dbraw/zinc/15/34/92/974153492.db2.gz GIIPAWUOVJPCMV-UHFFFAOYSA-N -1 0 350.356 0.670 20 50 FCGDRM CC(C)(C)OC(=O)N1CCC(NC(=O)NNC(=O)CCNC(=O)[O-])CC1 ZINC000736272359 978315978 /nfs/dbraw/zinc/31/59/78/978315978.db2.gz FMHXTBQDTVWGIA-UHFFFAOYSA-N -1 0 373.410 0.374 20 50 FCGDRM CC(C)[C@H](NC(=O)[O-])C(=O)NNC(=O)NCCNC(=O)OC(C)(C)C ZINC000736375376 978325980 /nfs/dbraw/zinc/32/59/80/978325980.db2.gz OHFQIMYFLHHTGQ-VIFPVBQESA-N -1 0 361.399 0.134 20 50 FCGDRM COc1ccc(Cl)cc1C(=O)NNC(=O)COC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000738016870 978466765 /nfs/dbraw/zinc/46/67/65/978466765.db2.gz SLSBVMGFDRLQNK-IUCAKERBSA-N -1 0 370.745 0.374 20 50 FCGDRM CS(=O)(=O)c1cccc(C(=O)NNC(=O)CCSCC(=O)[O-])c1 ZINC000738176921 978496516 /nfs/dbraw/zinc/49/65/16/978496516.db2.gz HWITZOVNRUCWPH-UHFFFAOYSA-N -1 0 360.413 0.059 20 50 FCGDRM Cc1nc(=O)[nH]c(S[C@H](C)C(=O)NNC(=O)CC(C)C)c1C(=O)[O-] ZINC000738230161 978503451 /nfs/dbraw/zinc/50/34/51/978503451.db2.gz OOGSONGUMBZOLE-MRVPVSSYSA-N -1 0 356.404 0.863 20 50 FCGDRM N#Cc1ccc(OCC(=O)NNC(=O)N[C@H]2CCCN(C(=O)[O-])C2)cc1 ZINC000739129318 978618369 /nfs/dbraw/zinc/61/83/69/978618369.db2.gz UHJCDEHPJGEMCA-LBPRGKRZSA-N -1 0 361.358 0.410 20 50 FCGDRM O=C([O-])N1CCC[C@H](NC(=O)NNC(=O)c2cccc([N+](=O)[O-])c2)C1 ZINC000739453243 978637072 /nfs/dbraw/zinc/63/70/72/978637072.db2.gz DLXWVHCTLYDFRS-JTQLQIEISA-N -1 0 351.319 0.681 20 50 FCGDRM CN(C)S(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(C(=O)[O-])[nH]2)c1 ZINC000749812666 978689715 /nfs/dbraw/zinc/68/97/15/978689715.db2.gz QRCLJGXBJLTTKP-UHFFFAOYSA-N -1 0 364.383 0.727 20 50 FCGDRM CCCOc1ccc(C(=O)NN=Cc2cn(CC(=O)[O-])nn2)cc1OC ZINC000768482243 978737814 /nfs/dbraw/zinc/73/78/14/978737814.db2.gz JCVPBRHEKRHENA-UHFFFAOYSA-N -1 0 361.358 0.924 20 50 FCGDRM CCC(CC)(CNC(=O)NNC(=O)CNC(=O)c1cccs1)C(=O)[O-] ZINC000818626705 978921288 /nfs/dbraw/zinc/92/12/88/978921288.db2.gz GLZBMZJWSAFOKR-UHFFFAOYSA-N -1 0 370.431 0.699 20 50 FCGDRM Cc1ccc(C(=O)NNC(=O)NCC2(C(=O)[O-])CCOCC2)cc1F ZINC000831063311 979025840 /nfs/dbraw/zinc/02/58/40/979025840.db2.gz XVUVIFIQYDGBDL-UHFFFAOYSA-N -1 0 353.350 0.960 20 50 FCGDRM CCC(CC)NC(=O)C(=O)NNC(=O)[C@@]1(C(=O)[O-])C[C@H]1c1ccccc1 ZINC001595117142 979479783 /nfs/dbraw/zinc/47/97/83/979479783.db2.gz SLLRERVXBFCGGT-SCLBCKFNSA-N -1 0 361.398 0.697 20 50 FCGDRM CCC[C@@H](NC(=O)NNC(=O)C(=O)[O-])C(=O)N1CCc2sccc2C1 ZINC001595599716 981573040 /nfs/dbraw/zinc/57/30/40/981573040.db2.gz FTPMDGMZXSNANN-SNVBAGLBSA-N -1 0 368.415 0.217 20 50 FCGDRM CCCN1C[C@@H](C(=O)N(c2nc(CC(=O)[O-])cs2)N(C)C)CC1=O ZINC001595895963 982938544 /nfs/dbraw/zinc/93/85/44/982938544.db2.gz IKBHJQXZFBNMIA-JTQLQIEISA-N -1 0 354.432 0.838 20 50 FCGDRM CCOC(=O)[C@H](NNC(=O)C(=O)[O-])c1ccc(Br)cc1F ZINC001596544731 984401853 /nfs/dbraw/zinc/40/18/53/984401853.db2.gz VZVLVRLOJPLSBC-SECBINFHSA-N -1 0 363.139 0.898 20 50 FCGDRM C[C@H]1CC[C@@H](C(=O)NNC(=O)C(=O)Nc2cccc(F)c2C(=O)[O-])O1 ZINC001599906907 984935517 /nfs/dbraw/zinc/93/55/17/984935517.db2.gz SKRXLFANPSWGFJ-XVKPBYJWSA-N -1 0 353.306 0.177 20 50 FCGDRM CC(=NNC(=O)[C@H]1CCc2nncn2C1)c1ccc(OCC(=O)[O-])cc1 ZINC001589011204 984988234 /nfs/dbraw/zinc/98/82/34/984988234.db2.gz STYIVNKAUDFXSW-ZDUSSCGKSA-N -1 0 357.370 0.844 20 50 FCGDRM C[C@H]1CN(C(=O)C(=O)NC[C@@]2(C)C[C@H]2Br)C[C@]1(C)C(=O)[O-] ZINC001599913200 985015940 /nfs/dbraw/zinc/01/59/40/985015940.db2.gz PZYQLQPPGGQLMD-DZLLMUEISA-N -1 0 361.236 0.845 20 50 FCGDRM CCOc1cc(C(=O)NNC(=O)C2CCOCC2)ccc1OCC(=O)[O-] ZINC001597005944 986334319 /nfs/dbraw/zinc/33/43/19/986334319.db2.gz SALAIOFKYNSLBR-UHFFFAOYSA-N -1 0 366.370 0.736 20 50 FCGDRM C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1C(=O)NNC(=O)c1cn[nH]c1 ZINC001594569738 986382586 /nfs/dbraw/zinc/38/25/86/986382586.db2.gz QWTXKPHRLVVAIH-NSHDSACASA-N -1 0 372.385 0.673 20 50 FCGDRM CC(C)(C(=O)[O-])c1ccc(NC(=O)C(=O)NNC(=O)c2cccnc2)cc1 ZINC001589632686 987545110 /nfs/dbraw/zinc/54/51/10/987545110.db2.gz QIJXGHWPTCBTCY-UHFFFAOYSA-N -1 0 370.365 0.844 20 50 FCGDRM CC(C)(C)OC(=O)N1CC[C@@H]1C(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC001589991101 988893715 /nfs/dbraw/zinc/89/37/15/988893715.db2.gz FOALQXBBLZHSPH-HBNTYKKESA-N -1 0 355.391 0.644 20 50 FCGDRM CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)NNC(=O)c1ccoc1 ZINC001590116728 989316259 /nfs/dbraw/zinc/31/62/59/989316259.db2.gz IIJRHKLZMDSSHI-SNVBAGLBSA-N -1 0 355.347 0.799 20 50 FCGDRM CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC001590184149 989528321 /nfs/dbraw/zinc/52/83/21/989528321.db2.gz APKNROWOSHGPLT-ZJUUUORDSA-N -1 0 359.379 0.071 20 50 FCGDRM CC(C)(C)OC(=O)N[C@H]1CCO[C@H]1C(=O)NN=c1ccc(C(=O)[O-])c[nH]1 ZINC001590283104 989691904 /nfs/dbraw/zinc/69/19/04/989691904.db2.gz IKXUUHYKPOREED-CMPLNLGQSA-N -1 0 366.374 0.905 20 50 FCGDRM CN(C)N(C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12)c1nc(CC(=O)[O-])cs1 ZINC001598257255 991072464 /nfs/dbraw/zinc/07/24/64/991072464.db2.gz JMAIFLCGXOPJFP-XHVZSJERSA-N -1 0 355.416 0.631 20 50 FCGDRM CN(C)S(=O)(=O)/C(C#N)=C\c1ccc(OCC(=O)[O-])c([N+](=O)[O-])c1 ZINC001598257407 991073300 /nfs/dbraw/zinc/07/33/00/991073300.db2.gz KVHZCGXPADIQNO-YHYXMXQVSA-N -1 0 355.328 0.814 20 50 FCGDRM COc1cc[nH]c(=NNC(=O)C(=O)Nc2ccc(F)c(C(=O)[O-])c2C)n1 ZINC001599722671 991567262 /nfs/dbraw/zinc/56/72/62/991567262.db2.gz PYGSIDFCGHIEOG-UHFFFAOYSA-N -1 0 363.305 0.713 20 50 FCGDRM CC(C)CC(=O)NNC(=O)[C@@H](C)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001591111658 991772374 /nfs/dbraw/zinc/77/23/74/991772374.db2.gz SUOQFELNMIGCQR-NOZJJQNGSA-N -1 0 353.341 0.907 20 50 FCGDRM CS(=O)(=O)N1CCC(C(=O)NNc2ccc(CC(=O)[O-])cc2)CC1 ZINC001599754362 992033020 /nfs/dbraw/zinc/03/30/20/992033020.db2.gz RUJMRWFIJZBLNL-UHFFFAOYSA-N -1 0 355.416 0.428 20 50 FCGDRM CS(=O)(=O)N1CC(CNC(=O)NNc2ccc(F)c(C(=O)[O-])c2)C1 ZINC001599754455 992034354 /nfs/dbraw/zinc/03/43/54/992034354.db2.gz WKQVBNXUDUEXQX-UHFFFAOYSA-N -1 0 360.367 0.041 20 50 FCGDRM CS(=O)(=O)NC1CC(NC(=O)NNc2ccc(C(=O)[O-])cc2F)C1 ZINC001599757728 992076466 /nfs/dbraw/zinc/07/64/66/992076466.db2.gz LAOGUZQUDSVSNU-UHFFFAOYSA-N -1 0 360.367 0.230 20 50 FCGDRM CN1C[C@H](C(=O)NNc2cc(C(=O)[O-])ccc2Br)NC1=O ZINC001598559964 993080019 /nfs/dbraw/zinc/08/00/19/993080019.db2.gz MXCMTIPQJDTLLZ-SECBINFHSA-N -1 0 357.164 0.614 20 50 FCGDRM C[C@](NCC(=O)NNC(=O)C1CC1)(C(=O)[O-])c1cccc([N+](=O)[O-])c1 ZINC001593237524 994413155 /nfs/dbraw/zinc/41/31/55/994413155.db2.gz QTNQEMAHZGTRHM-OAHLLOKOSA-N -1 0 350.331 0.042 20 50 FCGDRM CNC(=O)Cn1nc(NC(=O)NNc2ccc(F)c(C(=O)[O-])c2)cc1C ZINC001598650602 994436657 /nfs/dbraw/zinc/43/66/57/994436657.db2.gz GPTCARWMSHOCDW-UHFFFAOYSA-N -1 0 364.337 0.923 20 50 FCGDRM CNS(=O)(=O)N1CCC(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC001598672188 994775575 /nfs/dbraw/zinc/77/55/75/994775575.db2.gz SYUWAGALRUOYQS-UHFFFAOYSA-N -1 0 374.394 0.143 20 50 FCGDRM CNS(=O)(=O)c1cc(C(=O)NNc2ccc(C(=O)[O-])cc2F)co1 ZINC001598674143 994810722 /nfs/dbraw/zinc/81/07/22/994810722.db2.gz ILFUKBPSWTUMDK-UHFFFAOYSA-N -1 0 357.319 0.782 20 50 FCGDRM COc1cccc(S(C)(=O)=O)c1NNC(=O)c1cc(C(=O)[O-])no1 ZINC001599683233 995016543 /nfs/dbraw/zinc/01/65/43/995016543.db2.gz JCWWJDHVJYCUCA-UHFFFAOYSA-N -1 0 355.328 0.542 20 50 FCGDRM C[C@H](Oc1cccc(Cl)c1)C(=O)NNC(=O)Cn1cc(C(=O)[O-])cn1 ZINC001593639856 995944003 /nfs/dbraw/zinc/94/40/03/995944003.db2.gz YNAHUACHNMSCLT-VIFPVBQESA-N -1 0 366.761 0.850 20 50 FCGDRM COC(=O)[C@@H]1CCCN(CC(=O)NNc2cccc(F)c2C(=O)[O-])C1=O ZINC001598789562 996060463 /nfs/dbraw/zinc/06/04/63/996060463.db2.gz LYCUINDTASSKJF-SECBINFHSA-N -1 0 367.333 0.379 20 50 FCGDRM COC(=O)[C@H]1CCCN(CC(=O)NNc2cccc(F)c2C(=O)[O-])C1=O ZINC001598789581 996060516 /nfs/dbraw/zinc/06/05/16/996060516.db2.gz LYCUINDTASSKJF-VIFPVBQESA-N -1 0 367.333 0.379 20 50 FCGDRM CO[C@@H]1CCN(CC(=O)NNC(=O)c2ccc(F)cc2)[C@@H](C(=O)[O-])C1 ZINC001599125744 997844665 /nfs/dbraw/zinc/84/46/65/997844665.db2.gz SFNMKHPZDJSIFC-CHWSQXEVSA-N -1 0 353.350 0.151 20 50 FCGDRM COc1ccc(CCC(=O)NNC(=O)Nc2c(C(=O)[O-])cnn2C)cc1 ZINC001599553053 998041952 /nfs/dbraw/zinc/04/19/52/998041952.db2.gz WMXNYBSXXJNEHU-UHFFFAOYSA-N -1 0 361.358 0.912 20 50 FCGDRM COc1cc(OC)cc(C(=O)NNC(=O)N[C@H]2C[C@@H]3C[C@]3(C(=O)[O-])C2)c1 ZINC001599450502 998086494 /nfs/dbraw/zinc/08/64/94/998086494.db2.gz MYPWHEZMRWWLGA-RLFDGXBXSA-N -1 0 363.370 0.901 20 50 FCGDRM COCCO[C@@H](C)C(=O)NNC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001599247061 998163043 /nfs/dbraw/zinc/16/30/43/998163043.db2.gz FATQXNJOZBISQP-NSHDSACASA-N -1 0 369.374 0.744 20 50 FCGDRM COc1cc(C(=O)NNc2cccc(C(=O)[O-])c2)sc1S(N)(=O)=O ZINC001599355265 998168201 /nfs/dbraw/zinc/16/82/01/998168201.db2.gz LIDLSTHRHUTDGV-UHFFFAOYSA-N -1 0 371.396 0.859 20 50 FCGDRM COc1cc(C(=O)NNC(=O)C[C@@H](C)CC(=O)[O-])cc(OC)c1OC ZINC001599355302 998169499 /nfs/dbraw/zinc/16/94/99/998169499.db2.gz MEDORSALAQTRFL-SECBINFHSA-N -1 0 354.359 0.974 20 50 FCGDRM COCCOCC(=O)NNC(=O)Nc1ccc(OCCC(=O)[O-])cc1 ZINC001599248169 998181727 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